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Rap guanine nucleotide exchange factor 4

Guanine nucleotide exchange factor (GEF) for RAP1A, RAP1B and RAP2A small GTPases that is activated by binding cAMP. Does not seem to activate RAB3A. Involved in cAMP-dependent, PKA-independent exocytosis through interaction with RIMS2.

AlphaFold DB , UniProt , Accession X5D9F4, Species HUMAN (Homo sapiens, Human), Gene RAPGEF4, Length 1,010 aa.

						>X5D9F4_HUMAN|X5D9F4|RAPGEF4
MVAAHAAHSSSSAEWIACLDKRPLERSSEDVDIIFTRLKEVKAFEKFHPNLLHQICLCGYYENLEKGITLFRQGDIGTNWYAVLAGSLDVKVSETSSHQDAVTICTLGIGTAFGESILDNTPRHATIVTRESSELLRIEQKDFKALWEKYRQCMAGLLAPPYGVMETGSNNDRIPDKENTPLIEPHVPLRPANTITKVPSEKILRAGKILRNAILSRAPHMIRDRKYHLKTYRQCCVGTELVDWMMQQTPCVHSRTQAVGMWQVLLEDGVLNHVDQEHHFQDKYLFYRFLDDEHEDAPLPTEEEKKECDEELQDTMLLLSQMGPDAHMRMILRKPPGQRTVDDLEIIYEELLHIKALSHLSTTVKRELAGVLIFESHAKGGTVLFNQGEEGTSWYIILKGSVNVVIYGKGVVCTLHEGDDFGKLALVNDAPRAASIVLREDNCHFLRVDKEDFNRILRDVEANTVRLKEHDQDVLVLEKVPAGNRASNQGNSQPQQKYTVMSGTPEKILEHFLETIRLEATLNEATDSVLNDFIMMHCVFMPNTQLCPALVAHYHAQPSQGTEQEKMDYALNNKRRVIRLVLQWAAMYGDLLQEDDVSMAFLEEFYVSVSDDARMIAALKEQLPELEKIVKQISEDAKAPQKKHKVLLQQFNTGDERAQKRQPIRGSDEVLFKVYCMDHTYTTIRVPVATSVKEVISAVADKLGSGEGLIIVKMSSGGEKVVLKPNDVSVFTTLTINGRLFACPREQFDSLTPLPEQEGPTVGTVGTFELMSSKDLAYQMTIYDWELFNCVHELELIYHTFGRHNFKKTTANLDLFLRRFNEIQFWVVTEICLCSQLSKRVQLLKKFIKIAAHCKEYKNLNSFFAIVMGLSNVAVSRLALTWEKLPSKFKKFYAEFESLMDPSRNHRAYRLTVAKLEPPLIPFMPLLIKDMTFTHEGNKTFIDNLVNFEKMRMIANTARTVRYYRSQPFNPDAAQANKNHQDVRSYVRQLNVIDNQRTLSQMSHRLEPRH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.8	Very low	27.6	Very low	192 Å²	192	79 Å²	79	95%	0.946	49%	0.485	S	S	*	.				0	-33	0	-98.8	164.5	54.2	0	0	114.7
2	V	24.6	Very low	29.1	Very low	86 Å²	86	79.1 Å²	79.1	52%	0.521	49%	0.491	S	S	.	.			trans	-93.6	-26.8	-172	-176.6	0	0	0	0	114.9	A6	V2-A6 HydrophobicContact CG1-CB 4.13Å; V2-A6 WeakPolarHBondContact O-CB 3.22Å; V2-A6 PolarHBondContact O-N 3.16Å
3	A	24.4	Very low	31.2	Very low	57 Å²	57	76.6 Å²	76.6	47%	0.471	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-29.3	-165.3	0	0	0	0	0	116.9
4	A	24.9	Very low	34.3	Very low	54 Å²	54	77.8 Å²	77.8	45%	0.446	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-21.4	175.7	0	0	0	0	0	112.6
5	H	26.3	Very low	37.3	Very low	98 Å²	98	73.7 Å²	73.7	45%	0.454	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-47.1	167.9	-92	-64.5	0	0	0	110.3	A7 H8 S9	H5-A7 VanDerWaalsContact C-N 3.31Å; H5-A7 PolarHBondContact O-N 2.93Å; H5-H8 CarbonylContact O-C 3.56Å; H5-H8 PolarHBondContact O-N 3.24Å; H5-S9 VanDerWaalsContact C-CB 3.42Å; H5-S9 WeakPolarHBondContact CB-OG 3.23Å; H5-S9 WeakPolarHBondContact O-CA 3.39Å; H5-S9 WeakPolarHBondContact O-CB 3.43Å; H5-S9 PolarHBondContact O-N 3.34Å; H5-S9 PolarHBondContact O-OG 3.47Å
6	A	24.9	Very low	40.2	Very low	43 Å²	43	71.2 Å²	71.2	36%	0.355	43%	0.434	S	S	.	.	H	α-helix	trans	-58.8	-26.9	-165.9	0	0	0	0	0	117	V2 H8 S9	V2-A6 HydrophobicContact CG1-CB 4.13Å; V2-A6 WeakPolarHBondContact O-CB 3.22Å; V2-A6 PolarHBondContact O-N 3.16Å; A6-H8 VanDerWaalsContact C-N 3.3Å; A6-H8 PolarHBondContact O-N 3.34Å; A6-S9 WeakPolarHBondContact CA-OG 3.2Å; A6-S9 PolarHBondContact N-OG 3.32Å
7	A	26.1	Very low	42.6	Very low	45 Å²	45	70.3 Å²	70.3	37%	0.372	44%	0.436	S	S	.	.	H	α-helix	trans	-74.4	-20.2	178.7	0	0	0	0	0	113.5	H5	H5-A7 VanDerWaalsContact C-N 3.31Å; H5-A7 PolarHBondContact O-N 2.93Å
8	H	28.2	Very low	45	Very low	121 Å²	121	66.8 Å²	66.8	56%	0.56	42%	0.415	S	S	*	.	H	α-helix	trans	-124.6	-10.5	173.6	-81.8	-58.4	0	0	0	113.9	H5 A6 S11 S12 M868	H5-H8 CarbonylContact O-C 3.56Å; H5-H8 PolarHBondContact O-N 3.24Å; A6-H8 VanDerWaalsContact C-N 3.3Å; A6-H8 PolarHBondContact O-N 3.34Å; H8-S11 PolarHBondContact O-OG 2.89Å; H8-S12 WeakPolarHBondContact O-CB 3.27Å; H8-S12 PolarHBondContact O-N 3.47Å; H8-M868 WeakPolarHBondContact NE2-CE 3.25Å
9	S	29.3	Very low	47.2	Very low	36 Å²	36	63.4 Å²	63.4	25%	0.252	39%	0.394	S	S	.	.	H	α-helix	trans	-94.8	-20.9	-171.6	79.4	0	0	0	0	114.2	H5 A6 S11 A13	H5-S9 VanDerWaalsContact C-CB 3.42Å; H5-S9 WeakPolarHBondContact CB-OG 3.23Å; H5-S9 WeakPolarHBondContact O-CA 3.39Å; H5-S9 WeakPolarHBondContact O-CB 3.43Å; H5-S9 PolarHBondContact O-N 3.34Å; H5-S9 PolarHBondContact O-OG 3.47Å; A6-S9 WeakPolarHBondContact CA-OG 3.2Å; A6-S9 PolarHBondContact N-OG 3.32Å; S9-S11 VanDerWaalsContact C-N 3.3Å; S9-A13 PolarHBondContact O-N 3.29Å
10	S	31.7	Very low	49	Very low	67 Å²	67	65.8 Å²	65.8	47%	0.469	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-48.8	168.9	53.3	0	0	0	0	108.6	E14	S10-E14 WeakPolarHBondContact O-CB 3.44Å; S10-E14 WeakPolarHBondContact O-CG 3.27Å; S10-E14 PolarHBondContact O-N 3.01Å
11	S	36.6	Very low	50.7	Low	70 Å²	70	66.6 Å²	66.6	49%	0.49	40%	0.402	S	S	.	.	H	α-helix	trans	-74.6	-29.8	175.4	57.9	0	0	0	0	115.3	H8 S9	H8-S11 PolarHBondContact O-OG 2.89Å; S9-S11 VanDerWaalsContact C-N 3.3Å
12	S	46	Very low	53.4	Low	80 Å²	80	65.1 Å²	65.1	56%	0.559	39%	0.385	S	S	*	.	H	α-helix	trans	-75	-23.3	-178.2	-178.7	0	0	0	0	114.2	H8 W15	H8-S12 WeakPolarHBondContact O-CB 3.27Å; H8-S12 PolarHBondContact O-N 3.47Å; S12-W15 PolarHBondContact O-NE1 2.71Å
13	A	55.4	Low	56.4	Low	47 Å²	47	62.6 Å²	62.6	39%	0.388	37%	0.371	S	S	.	.	H	α-helix	trans	-114.5	-3.3	179.9	0	0	0	0	0	114.4	S9 W15 I16 A17	S9-A13 PolarHBondContact O-N 3.29Å; A13-W15 VanDerWaalsContact C-N 3.26Å; A13-W15 PolarHBondContact O-N 2.83Å; A13-I16 WeakPolarHBondContact O-CB 3.47Å; A13-I16 PolarHBondContact O-N 3.36Å; A13-I16 VanDerWaalsContact O-N 3.08Å; A13-A17 PolarHBondContact O-N 2.76Å
14	E	74.6	Confident	59.3	Low	93 Å²	93	68.3 Å²	68.3	44%	0.435	39%	0.392	S	S	.	.	H	α-helix	trans	-56.6	-37.7	178.5	-101.4	160.6	-155.3	0	0	112.8	S10 I16 A17 C18 I33	S10-E14 WeakPolarHBondContact O-CB 3.44Å; S10-E14 WeakPolarHBondContact O-CG 3.27Å; S10-E14 PolarHBondContact O-N 3.01Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.22Å; E14-A17 PolarHBondContact O-N 3.19Å; E14-C18 PolarHBondContact O-N 2.9Å; E14-C18 PolarHBondContact O-SG 2.9Å; E14-I33 HydrophobicContact CB-CG2 4.4Å
15	W	80.3	Confident	62.3	Low	17 Å²	17	70.6 Å²	70.6	6%	0.064	39%	0.394	C	S	.	.	H	α-helix	trans	-66.2	-27.5	178.3	69	-85.5	0	0	0	113.4	S12 A13 C18 L19 I33 R37 Y61 L84	S12-W15 PolarHBondContact O-NE1 2.71Å; A13-W15 VanDerWaalsContact C-N 3.26Å; A13-W15 PolarHBondContact O-N 2.83Å; W15-C18 WeakPolarHBondContact O-CB 3.28Å; W15-C18 PolarHBondContact O-N 3.47Å; W15-L19 HydrophobicContact CE3-CD1 3.64Å; W15-L19 HydrophobicContact CZ3-CD1 3.59Å; W15-L19 PolarHBondContact O-N 2.89Å; W15-I33 HydrophobicContact CB-CG2 3.77Å; W15-R37 HydrophobicContact CB-CB 4.3Å; W15-R37 HydrophobicContact CD2-CB 4.22Å; W15-R37 HydrophobicContact CD2-CG 3.74Å; W15-R37 HydrophobicContact CE3-CG 4.22Å; W15-R37 HydrophobicContact CG-CB 4.04Å; W15-R37 HydrophobicContact CG-CG 3.94Å; W15-R37 HydrophobicContact CZ2-CG 4.36Å; W15-Y61 HydrophobicContact CH2-CD2 4.23Å; W15-Y61 AromaticContact CH2-CE2 3.93Å; W15-Y61 HydrophobicContact CH2-CE2 3.93Å; W15-Y61 HydrophobicContact CZ3-CD2 4.16Å; W15-Y61 HydrophobicContact CZ3-CE2 4.32Å; W15-L84 HydrophobicContact CH2-CD1 3.68Å; W15-L84 HydrophobicContact CZ3-CD1 3.69Å
16	I	83.9	Confident	65.3	Low	33 Å²	33	67.1 Å²	67.1	17%	0.169	38%	0.377	C	S	.	.	H	α-helix	trans	-69.2	-47.5	175	-60.1	174.1	0	0	0	109.1	A13 E14 C18 L19 D20 Y61	A13-I16 WeakPolarHBondContact O-CB 3.47Å; A13-I16 PolarHBondContact O-N 3.36Å; A13-I16 VanDerWaalsContact O-N 3.08Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.22Å; I16-C18 PolarHBondContact O-N 3.49Å; I16-L19 CarbonylContact O-C 3.47Å; I16-L19 WeakPolarHBondContact O-CA 3.35Å; I16-L19 PolarHBondContact O-N 3.35Å; I16-D20 PolarHBondContact O-N 3.16Å; I16-Y61 HydrophobicContact CD1-CE2 4.35Å; I16-Y61 HydrophobicContact CG1-CE2 4.21Å; I16-Y61 HydrophobicContact CG2-CD1 3.65Å; I16-Y61 HydrophobicContact CG2-CE1 3.53Å; I16-Y61 HydrophobicContact CG2-CE2 4.39Å; I16-Y61 HydrophobicContact CG2-CG 4.14Å
17	A	81	Confident	68.3	Low	56 Å²	56	67.4 Å²	67.4	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-31.2	175.4	0	0	0	0	0	112.1	A13 E14 K21	A13-A17 PolarHBondContact O-N 2.76Å; E14-A17 PolarHBondContact O-N 3.19Å; A17-K21 PolarHBondContact O-N 3.34Å
18	C	85.9	Confident	70.9	Confident	7 Å²	7	69.8 Å²	69.8	5%	0.047	39%	0.39	C	S	.	.	H	α-helix	trans	-68.4	-38.4	172.2	-61.9	0	0	0	0	112.4	E14 W15 I16 K21 R26 D30 I34	E14-C18 PolarHBondContact O-N 2.9Å; E14-C18 PolarHBondContact O-SG 2.9Å; W15-C18 WeakPolarHBondContact O-CB 3.28Å; W15-C18 PolarHBondContact O-N 3.47Å; I16-C18 PolarHBondContact O-N 3.49Å; C18-K21 WeakPolarHBondContact O-CB 3.5Å; C18-K21 PolarHBondContact O-N 3.43Å; C18-R26 PolarHBondContact O-NE 2.96Å; C18-D30 HydrophobicContact CB-CB 3.97Å; C18-D30 PolarHBondContact SG-OD1 3.33Å; C18-D30 VanDerWaalsContact SG-OD1 3.39Å; C18-I34 HydrophobicContact CB-CD1 3.65Å; C18-I34 HydrophobicContact CB-CG1 3.62Å
19	L	85.6	Confident	73.5	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.016	39%	0.393	C	S	.	.	H	α-helix	trans	-74.7	-27.8	176	-75.4	172.4	0	0	0	113.4	W15 I16 K21 R26 I34 Y61 L136	W15-L19 HydrophobicContact CE3-CD1 3.64Å; W15-L19 HydrophobicContact CZ3-CD1 3.59Å; W15-L19 PolarHBondContact O-N 2.89Å; I16-L19 CarbonylContact O-C 3.47Å; I16-L19 WeakPolarHBondContact O-CA 3.35Å; I16-L19 PolarHBondContact O-N 3.35Å; L19-K21 PolarHBondContact O-N 3.17Å; L19-R26 PolarHBondContact O-NH2 3.35Å; L19-I34 HydrophobicContact CD2-CD1 3.76Å; L19-I34 HydrophobicContact CD2-CG1 4.26Å; L19-I34 HydrophobicContact CD2-CG2 4.02Å; L19-I34 HydrophobicContact CG-CD1 3.91Å; L19-I34 HydrophobicContact CG-CG1 4.04Å; L19-I34 HydrophobicContact CG-CG2 4.27Å; L19-Y61 HydrophobicContact CD1-CD2 4.46Å; L19-L136 HydrophobicContact CD1-CD1 4.25Å; L19-L136 HydrophobicContact CD2-CD1 4.26Å
20	D	84.2	Confident	76.1	Confident	111 Å²	111	69.3 Å²	69.3	59%	0.594	38%	0.384	S	S	*	.	H	α-helix	trans	-65.4	-27.6	173.3	-73.7	-22	0	0	0	112.1	I16 R22	I16-D20 PolarHBondContact O-N 3.16Å; D20-R22 PolarHBondContact O-N 3.13Å
21	K	84	Confident	78.7	Confident	83 Å²	83	66.2 Å²	66.2	36%	0.361	36%	0.363	S	S	.	.	S	Bend	trans	-63.3	134.4	169.1	-64.6	173.3	178.7	175.6	0	109.3	A17 C18 L19 R26 D30	A17-K21 PolarHBondContact O-N 3.34Å; C18-K21 WeakPolarHBondContact O-CB 3.5Å; C18-K21 PolarHBondContact O-N 3.43Å; L19-K21 PolarHBondContact O-N 3.17Å; K21-R26 HydrophobicContact CB-CG 4.17Å; K21-R26 PolarHBondContact O-NE 2.87Å; K21-R26 VanDerWaalsContact O-NE 3.15Å; K21-R26 PolarHBondContact O-NH2 2.84Å; K21-R26 VanDerWaalsContact O-NH2 3.11Å; K21-D30 WeakPolarHBondContact CD-OD2 3.48Å; K21-D30 IonicContact NZ-OD1 2.83Å; K21-D30 PolarHBondContact NZ-OD1 3.44Å; K21-D30 IonicContact NZ-OD2 3.02Å; K21-D30 PolarHBondContact NZ-OD2 3.04Å
22	R	83.9	Confident	81	Confident	161 Å²	161	67.2 Å²	67.2	61%	0.608	36%	0.363	S	S	*	.			trans	-58.4	145.5	174.9	-63.2	-176.4	-74.2	-166.5	-0.9	109.3	D20 L24 E25	D20-R22 PolarHBondContact O-N 3.13Å; R22-L24 PolarHBondContact O-N 3.44Å; R22-E25 HydrophobicContact CB-CG 4.38Å; R22-E25 WeakPolarHBondContact CB-OE2 3.42Å; R22-E25 IonicContact CZ-OE1 3.37Å; R22-E25 IonicContact CZ-OE2 3.84Å; R22-E25 IonicContact NE-OE1 3.74Å; R22-E25 PolarHBondContact NE-OE1 3.34Å; R22-E25 IonicContact NE-OE2 3.29Å; R22-E25 PolarHBondContact NE-OE2 3.34Å; R22-E25 IonicContact NH2-OE1 2.66Å; R22-E25 PolarHBondContact NH2-OE1 3.41Å; R22-E25 IonicContact NH2-OE2 3.78Å; R22-E25 PolarHBondContact O-N 3.41Å
23	P	87.1	Confident	82.7	Confident	33 Å²	33	65.8 Å²	65.8	21%	0.214	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-45.2	-39.9	-180	-36.9	40	0	0	0	115.4	E25 L57 Y60	P23-E25 VanDerWaalsContact C-N 3.27Å; P23-E25 PolarHBondContact O-N 3.35Å; P23-L57 VanDerWaalsContact CB-O 3.27Å; P23-L57 WeakPolarHBondContact CB-O 3.33Å; P23-Y60 HydrophobicContact CG-CE1 4.09Å; P23-Y60 HydrophobicContact CG-CE2 4.27Å
24	L	85.1	Confident	84.2	Confident	176 Å²	176	63.5 Å²	63.5	92%	0.921	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-72.2	-15.2	-179.6	-64.1	171.6	0	0	0	114.5	R22	R22-L24 PolarHBondContact O-N 3.44Å
25	E	88.8	Confident	84.9	Confident	102 Å²	102	61.1 Å²	61.1	48%	0.477	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-104.8	1.5	-175.1	-62.9	174.1	152.2	0	0	112.5	R22 P23	R22-E25 HydrophobicContact CB-CG 4.38Å; R22-E25 WeakPolarHBondContact CB-OE2 3.42Å; R22-E25 IonicContact CZ-OE1 3.37Å; R22-E25 IonicContact CZ-OE2 3.84Å; R22-E25 IonicContact NE-OE1 3.74Å; R22-E25 PolarHBondContact NE-OE1 3.34Å; R22-E25 IonicContact NE-OE2 3.29Å; R22-E25 PolarHBondContact NE-OE2 3.34Å; R22-E25 IonicContact NH2-OE1 2.66Å; R22-E25 PolarHBondContact NH2-OE1 3.41Å; R22-E25 IonicContact NH2-OE2 3.78Å; R22-E25 PolarHBondContact O-N 3.41Å; P23-E25 VanDerWaalsContact C-N 3.27Å; P23-E25 PolarHBondContact O-N 3.35Å
26	R	88.3	Confident	85.1	Confident	26 Å²	26	64.8 Å²	64.8	10%	0.098	34%	0.342	C	S	.	.			trans	-77.3	132	-179	-66.6	-178	-176.9	159.5	9	111.1	C18 L19 K21 D30 C56 L57 G59	C18-R26 PolarHBondContact O-NE 2.96Å; L19-R26 PolarHBondContact O-NH2 3.35Å; K21-R26 HydrophobicContact CB-CG 4.17Å; K21-R26 PolarHBondContact O-NE 2.87Å; K21-R26 VanDerWaalsContact O-NE 3.15Å; K21-R26 PolarHBondContact O-NH2 2.84Å; K21-R26 VanDerWaalsContact O-NH2 3.11Å; R26-D30 HydrophobicContact CB-CB 4.39Å; R26-C56 PolarHBondContact NH1-O 2.93Å; R26-L57 PolarHBondContact NH1-O 3.11Å; R26-G59 VanDerWaalsContact CZ-O 3.24Å; R26-G59 PolarHBondContact NH1-O 3.14Å; R26-G59 PolarHBondContact NH2-O 3.36Å
27	S	87.8	Confident	85.1	Confident	49 Å²	49	68.4 Å²	68.4	34%	0.343	35%	0.353	S	S	.	.			trans	-84	169.8	170	68.7	0	0	0	0	111.5	E29 D30 V31	S27-E29 VanDerWaalsContact C-N 3.29Å; S27-E29 PolarHBondContact O-N 2.83Å; S27-D30 WeakPolarHBondContact CB-OD2 3.48Å; S27-D30 PolarHBondContact N-OD2 2.69Å; S27-D30 PolarHBondContact O-N 3.09Å; S27-D30 PolarHBondContact OG-N 2.87Å; S27-D30 PolarHBondContact OG-OD2 2.64Å; S27-V31 WeakPolarHBondContact O-CG2 3.38Å; S27-V31 PolarHBondContact O-N 3.35Å
28	S	81.6	Confident	85.3	Confident	95 Å²	95	65.7 Å²	65.7	66%	0.664	33%	0.331	S	S	*	.	H	α-helix	trans	-61.6	-38	172.3	51.8	0	0	0	0	112.3	V31 D32	S28-V31 PolarHBondContact O-N 3.08Å; S28-D32 PolarHBondContact O-N 3.07Å
29	E	82.1	Confident	85.3	Confident	135 Å²	135	71.9 Å²	71.9	63%	0.631	36%	0.357	S	S	*	.	H	α-helix	trans	-64.9	-40.1	177.6	-173.6	172.4	-160.7	0	0	111.5	S27 V31 D32 I33	S27-E29 VanDerWaalsContact C-N 3.29Å; S27-E29 PolarHBondContact O-N 2.83Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.18Å; E29-D32 PolarHBondContact O-N 2.99Å; E29-I33 HydrophobicContact CG-CD1 4.12Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.38Å; E29-I33 PolarHBondContact O-N 3.15Å
30	D	83.6	Confident	84.9	Confident	11 Å²	11	78.1 Å²	78.1	6%	0.059	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-43.6	174.5	-63.3	-45.7	0	0	0	111.2	C18 K21 R26 S27 I33 I34	C18-D30 HydrophobicContact CB-CB 3.97Å; C18-D30 PolarHBondContact SG-OD1 3.33Å; C18-D30 VanDerWaalsContact SG-OD1 3.39Å; K21-D30 WeakPolarHBondContact CD-OD2 3.48Å; K21-D30 IonicContact NZ-OD1 2.83Å; K21-D30 PolarHBondContact NZ-OD1 3.44Å; K21-D30 IonicContact NZ-OD2 3.02Å; K21-D30 PolarHBondContact NZ-OD2 3.04Å; R26-D30 HydrophobicContact CB-CB 4.39Å; S27-D30 WeakPolarHBondContact CB-OD2 3.48Å; S27-D30 PolarHBondContact N-OD2 2.69Å; S27-D30 PolarHBondContact O-N 3.09Å; S27-D30 PolarHBondContact OG-N 2.87Å; S27-D30 PolarHBondContact OG-OD2 2.64Å; D30-I33 PolarHBondContact O-N 3.25Å; D30-I34 WeakPolarHBondContact O-CD1 3.42Å; D30-I34 WeakPolarHBondContact O-CG1 3.42Å; D30-I34 PolarHBondContact O-N 2.92Å
31	V	87.8	Confident	84.7	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.012	36%	0.363	C	S	.	.	H	α-helix	trans	-66	-41.5	179.1	174.3	0	0	0	0	111.2	S27 S28 E29 I33 I34 F35 C56 L57	S27-V31 WeakPolarHBondContact O-CG2 3.38Å; S27-V31 PolarHBondContact O-N 3.35Å; S28-V31 PolarHBondContact O-N 3.08Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.18Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 2.99Å; V31-I34 PolarHBondContact O-N 3.23Å; V31-F35 WeakPolarHBondContact O-CB 3.39Å; V31-F35 PolarHBondContact O-N 2.9Å; V31-C56 HydrophobicContact CG1-CB 3.83Å; V31-L57 HydrophobicContact CG2-CD2 3.62Å; V31-L57 HydrophobicContact CG2-CG 4.25Å
32	D	84.2	Confident	84.1	Confident	92 Å²	92	73.8 Å²	73.8	49%	0.492	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-39.8	178.1	-70.5	-25.7	0	0	0	111.9	S28 E29 F35 T36	S28-D32 PolarHBondContact O-N 3.07Å; E29-D32 PolarHBondContact O-N 2.99Å; D32-F35 PolarHBondContact O-N 3.43Å; D32-T36 WeakPolarHBondContact O-CB 3.45Å; D32-T36 PolarHBondContact O-N 3.14Å; D32-T36 PolarHBondContact O-OG1 3.02Å
33	I	82.1	Confident	83.6	Confident	49 Å²	49	66.6 Å²	66.6	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-48.6	175.6	-67.6	166.6	0	0	0	110.4	E14 W15 E29 D30 V31 T36 R37	E14-I33 HydrophobicContact CB-CG2 4.4Å; W15-I33 HydrophobicContact CB-CG2 3.77Å; E29-I33 HydrophobicContact CG-CD1 4.12Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.38Å; E29-I33 PolarHBondContact O-N 3.15Å; D30-I33 PolarHBondContact O-N 3.25Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 2.99Å; I33-T36 PolarHBondContact O-N 2.66Å; I33-R37 PolarHBondContact O-N 3.46Å
34	I	87	Confident	83.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-45.3	177.4	-63.4	162.5	0	0	0	110.4	C18 L19 D30 V31 T36 R37 L38 C56	C18-I34 HydrophobicContact CB-CD1 3.65Å; C18-I34 HydrophobicContact CB-CG1 3.62Å; L19-I34 HydrophobicContact CD2-CD1 3.76Å; L19-I34 HydrophobicContact CD2-CG1 4.26Å; L19-I34 HydrophobicContact CD2-CG2 4.02Å; L19-I34 HydrophobicContact CG-CD1 3.91Å; L19-I34 HydrophobicContact CG-CG1 4.04Å; L19-I34 HydrophobicContact CG-CG2 4.27Å; D30-I34 WeakPolarHBondContact O-CD1 3.42Å; D30-I34 WeakPolarHBondContact O-CG1 3.42Å; D30-I34 PolarHBondContact O-N 2.92Å; V31-I34 PolarHBondContact O-N 3.23Å; I34-T36 VanDerWaalsContact C-N 3.33Å; I34-T36 PolarHBondContact O-N 3.29Å; I34-R37 PolarHBondContact O-N 2.83Å; I34-R37 VanDerWaalsContact O-N 3.07Å; I34-L38 HydrophobicContact CG2-CD1 3.65Å; I34-L38 HydrophobicContact CG2-CG 3.88Å; I34-L38 PolarHBondContact O-N 2.72Å; I34-C56 HydrophobicContact CB-CB 4.28Å; I34-C56 HydrophobicContact CG2-CB 3.95Å
35	F	87.9	Confident	82.8	Confident	43 Å²	43	63.4 Å²	63.4	19%	0.189	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-45.3	-178.7	-178.9	-83.7	0	0	0	111.5	V31 D32 R37 L38 K39 P49 L52 H53 C56	V31-F35 WeakPolarHBondContact O-CB 3.39Å; V31-F35 PolarHBondContact O-N 2.9Å; D32-F35 PolarHBondContact O-N 3.43Å; F35-R37 PolarHBondContact O-N 2.64Å; F35-L38 PolarHBondContact O-N 3.11Å; F35-K39 HydrophobicContact CE1-CB 4.5Å; F35-K39 HydrophobicContact CE1-CD 4.06Å; F35-K39 WeakPolarHBondContact O-CB 3.48Å; F35-K39 PolarHBondContact O-N 3.39Å; F35-P49 HydrophobicContact CE2-CB 4.4Å; F35-P49 WeakPolarHBondContact CE2-O 3.46Å; F35-P49 HydrophobicContact CZ-CB 4.11Å; F35-L52 HydrophobicContact CD2-CB 4.22Å; F35-L52 HydrophobicContact CD2-CD2 3.99Å; F35-L52 HydrophobicContact CD2-CG 3.9Å; F35-L52 HydrophobicContact CE2-CB 3.8Å; F35-L52 HydrophobicContact CE2-CD2 3.73Å; F35-L52 HydrophobicContact CE2-CG 3.86Å; F35-L52 HydrophobicContact CZ-CD2 4.08Å; F35-H53 HydrophobicContact CD2-CB 4.38Å; F35-C56 VanDerWaalsContact CA-SG 3.55Å
36	T	84.3	Confident	82	Confident	93 Å²	93	66.3 Å²	66.3	57%	0.571	33%	0.327	S	S	*	.	H	α-helix	trans	-55.7	-38.8	177.4	-58.9	0	0	0	0	110.8	D32 I33 I34	D32-T36 WeakPolarHBondContact O-CB 3.45Å; D32-T36 PolarHBondContact O-N 3.14Å; D32-T36 PolarHBondContact O-OG1 3.02Å; I33-T36 PolarHBondContact O-N 2.66Å; I34-T36 VanDerWaalsContact C-N 3.33Å; I34-T36 PolarHBondContact O-N 3.29Å
37	R	84.1	Confident	81.7	Confident	109 Å²	109	66 Å²	66	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-76.9	-48	178.1	-172.8	62.4	-179.2	139.9	1.4	113.5	W15 I33 I34 F35 K39 E40	W15-R37 HydrophobicContact CB-CB 4.3Å; W15-R37 HydrophobicContact CD2-CB 4.22Å; W15-R37 HydrophobicContact CD2-CG 3.74Å; W15-R37 HydrophobicContact CE3-CG 4.22Å; W15-R37 HydrophobicContact CG-CB 4.04Å; W15-R37 HydrophobicContact CG-CG 3.94Å; W15-R37 HydrophobicContact CZ2-CG 4.36Å; I33-R37 PolarHBondContact O-N 3.46Å; I34-R37 PolarHBondContact O-N 2.83Å; I34-R37 VanDerWaalsContact O-N 3.07Å; F35-R37 PolarHBondContact O-N 2.64Å; R37-K39 VanDerWaalsContact C-N 3.27Å; R37-K39 PolarHBondContact O-N 2.71Å; R37-E40 IonicContact CZ-OE2 3.97Å; R37-E40 IonicContact NH1-OE2 2.82Å; R37-E40 PolarHBondContact NH1-OE2 2.9Å; R37-E40 PolarHBondContact O-N 2.84Å
38	L	85.8	Confident	81.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.2	-26.8	-175.3	-66	-173.4	0	0	0	112.5	I34 F35 E40 V41 F44 L52 I55 L84 L136	I34-L38 HydrophobicContact CG2-CD1 3.65Å; I34-L38 HydrophobicContact CG2-CG 3.88Å; I34-L38 PolarHBondContact O-N 2.72Å; F35-L38 PolarHBondContact O-N 3.11Å; L38-E40 PolarHBondContact O-N 3.15Å; L38-V41 HydrophobicContact CD2-CG2 4.4Å; L38-V41 WeakPolarHBondContact O-CB 3.47Å; L38-V41 PolarHBondContact O-N 3.37Å; L38-F44 HydrophobicContact CB-CD2 4.07Å; L38-F44 HydrophobicContact CB-CE2 4.46Å; L38-F44 HydrophobicContact CD2-CE2 4.2Å; L38-F44 WeakPolarHBondContact O-CD2 3.48Å; L38-L52 HydrophobicContact CB-CD1 3.8Å; L38-L52 HydrophobicContact CB-CG 4.47Å; L38-L52 HydrophobicContact CD1-CD1 4.45Å; L38-I55 HydrophobicContact CD1-CG2 4.17Å; L38-L84 HydrophobicContact CD2-CD2 3.88Å; L38-L136 HydrophobicContact CD1-CD2 3.93Å; L38-L136 HydrophobicContact CD2-CD2 4.35Å
39	K	85.4	Confident	81.8	Confident	136 Å²	136	66.8 Å²	66.8	59%	0.591	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.1	176.5	-174.7	-178.7	174.9	-171.3	0	113	F35 R37 V41 L52	F35-K39 HydrophobicContact CE1-CB 4.5Å; F35-K39 HydrophobicContact CE1-CD 4.06Å; F35-K39 WeakPolarHBondContact O-CB 3.48Å; F35-K39 PolarHBondContact O-N 3.39Å; R37-K39 VanDerWaalsContact C-N 3.27Å; R37-K39 PolarHBondContact O-N 2.71Å; K39-V41 VanDerWaalsContact C-N 3.31Å; K39-L52 HydrophobicContact CB-CD2 3.8Å; K39-L52 HydrophobicContact CG-CD2 4.39Å
40	E	78.4	Confident	82.1	Confident	135 Å²	135	64.8 Å²	64.8	63%	0.631	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.3	178.4	-58.2	-179.4	155.2	0	0	113.1	R37 L38	R37-E40 IonicContact CZ-OE2 3.97Å; R37-E40 IonicContact NH1-OE2 2.82Å; R37-E40 PolarHBondContact NH1-OE2 2.9Å; R37-E40 PolarHBondContact O-N 2.84Å; L38-E40 PolarHBondContact O-N 3.15Å
41	V	78.7	Confident	82.3	Confident	18 Å²	18	64.2 Å²	64.2	11%	0.109	31%	0.311	C	S	.	.	S	Bend	trans	-81.3	128	179.8	-178.8	0	0	0	0	109.4	L38 K39 A43 F44 E45 L84	L38-V41 HydrophobicContact CD2-CG2 4.4Å; L38-V41 WeakPolarHBondContact O-CB 3.47Å; L38-V41 PolarHBondContact O-N 3.37Å; K39-V41 VanDerWaalsContact C-N 3.31Å; V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 HydrophobicContact CG1-CB 4.32Å; V41-A43 PolarHBondContact O-N 3.18Å; V41-F44 HydrophobicContact CB-CD2 3.73Å; V41-F44 HydrophobicContact CB-CE2 4.3Å; V41-F44 HydrophobicContact CG1-CD2 4.04Å; V41-F44 HydrophobicContact CG1-CE2 4.24Å; V41-F44 HydrophobicContact CG2-CD2 4.34Å; V41-F44 WeakPolarHBondContact O-CA 3.28Å; V41-F44 PolarHBondContact O-N 3.35Å; V41-E45 PolarHBondContact O-N 2.91Å; V41-L84 HydrophobicContact CG2-CD2 3.99Å
42	K	72.3	Confident	82.4	Confident	85 Å²	85	64.3 Å²	64.3	37%	0.37	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-54.5	-39.4	-174.9	-164.8	173.2	-177.6	-179.9	0	114.2	F44 E45 E417	K42-F44 PolarHBondContact O-N 3.22Å; K42-F44 VanDerWaalsContact O-N 3.14Å; K42-E45 PolarHBondContact O-N 2.86Å; K42-E417 IonicContact NZ-OE2 3.36Å; K42-E417 PolarHBondContact NZ-OE2 3.39Å
43	A	73.4	Confident	82.8	Confident	9 Å²	9	63.3 Å²	63.3	7%	0.074	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-55.2	-30	173.9	0	0	0	0	0	113.5	V41 G110 A112 L157	V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 HydrophobicContact CG1-CB 4.32Å; V41-A43 PolarHBondContact O-N 3.18Å; A43-G110 VanDerWaalsContact CB-O 3.24Å; A43-G110 WeakPolarHBondContact CB-O 3.36Å; A43-G110 PolarHBondContact N-O 3.07Å; A43-A112 HydrophobicContact CB-CB 4.38Å; A43-L157 HydrophobicContact CB-CD1 4.22Å; A43-L157 HydrophobicContact CB-CD2 4.5Å
44	F	83	Confident	83.2	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-104.5	-5	-173.5	-56.4	-40	0	0	0	113.5	L38 V41 K42 K46 F47 L52 I55 W80 A82 L136	L38-F44 HydrophobicContact CB-CD2 4.07Å; L38-F44 HydrophobicContact CB-CE2 4.46Å; L38-F44 HydrophobicContact CD2-CE2 4.2Å; L38-F44 WeakPolarHBondContact O-CD2 3.48Å; V41-F44 HydrophobicContact CB-CD2 3.73Å; V41-F44 HydrophobicContact CB-CE2 4.3Å; V41-F44 HydrophobicContact CG1-CD2 4.04Å; V41-F44 HydrophobicContact CG1-CE2 4.24Å; V41-F44 HydrophobicContact CG2-CD2 4.34Å; V41-F44 WeakPolarHBondContact O-CA 3.28Å; V41-F44 PolarHBondContact O-N 3.35Å; K42-F44 PolarHBondContact O-N 3.22Å; K42-F44 VanDerWaalsContact O-N 3.14Å; F44-K46 PolarHBondContact O-N 3.46Å; F44-F47 HydrophobicContact CB-CD2 4.4Å; F44-F47 AromaticContact CD1-CD2 3.53Å; F44-F47 HydrophobicContact CD1-CD2 3.53Å; F44-F47 AromaticContact CD1-CE2 3.48Å; F44-F47 HydrophobicContact CD1-CE2 3.48Å; F44-F47 VanDerWaalsContact CD1-CE2 3.48Å; F44-F47 HydrophobicContact CD1-CG 4.36Å; F44-F47 HydrophobicContact CD1-CZ 4.28Å; F44-F47 HydrophobicContact CE1-CD2 4.26Å; F44-F47 AromaticContact CE1-CE2 3.83Å; F44-F47 HydrophobicContact CE1-CE2 3.83Å; F44-F47 HydrophobicContact CG-CD2 4.37Å; F44-F47 WeakPolarHBondContact O-CB 3.45Å; F44-F47 PolarHBondContact O-N 2.83Å; F44-L52 HydrophobicContact CB-CD1 3.86Å; F44-L52 HydrophobicContact CD1-CD1 4.41Å; F44-L52 HydrophobicContact CD2-CD1 4.01Å; F44-L52 HydrophobicContact CG-CD1 3.84Å; F44-I55 HydrophobicContact CD1-CD1 4.37Å; F44-I55 HydrophobicContact CE1-CD1 4.08Å; F44-W80 AromaticContact CE1-CH2 3.71Å; F44-W80 HydrophobicContact CE1-CH2 3.71Å; F44-W80 HydrophobicContact CE1-CZ3 4.29Å; F44-W80 AromaticContact CZ-CH2 4Å; F44-W80 HydrophobicContact CZ-CH2 4Å; F44-W80 HydrophobicContact CZ-CZ3 4.27Å; F44-A82 HydrophobicContact CE2-CB 4.32Å; F44-A82 HydrophobicContact CZ-CB 3.7Å; F44-L136 HydrophobicContact CE2-CD2 3.87Å; F44-L136 HydrophobicContact CZ-CD2 3.7Å
45	E	72.3	Confident	83.4	Confident	140 Å²	140	64.4 Å²	64.4	65%	0.654	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-37.9	-176.4	-173.9	-178.4	-170.9	0	0	112.2	V41 K42	V41-E45 PolarHBondContact O-N 2.91Å; K42-E45 PolarHBondContact O-N 2.86Å
46	K	71.7	Confident	83.6	Confident	163 Å²	163	62.4 Å²	62.4	71%	0.709	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	0.2	179.6	-62	-177.9	-178	175.1	0	113.5	F44	F44-K46 PolarHBondContact O-N 3.46Å
47	F	82.5	Confident	83.9	Confident	19 Å²	19	60.7 Å²	60.7	8%	0.083	29%	0.286	C	S	.	.	S	Bend	trans	-77.6	137.8	-178.6	-77.8	8.1	0	0	0	111.2	F44 L51 I55 M154 L157	F44-F47 HydrophobicContact CB-CD2 4.4Å; F44-F47 AromaticContact CD1-CD2 3.53Å; F44-F47 HydrophobicContact CD1-CD2 3.53Å; F44-F47 AromaticContact CD1-CE2 3.48Å; F44-F47 HydrophobicContact CD1-CE2 3.48Å; F44-F47 VanDerWaalsContact CD1-CE2 3.48Å; F44-F47 HydrophobicContact CD1-CG 4.36Å; F44-F47 HydrophobicContact CD1-CZ 4.28Å; F44-F47 HydrophobicContact CE1-CD2 4.26Å; F44-F47 AromaticContact CE1-CE2 3.83Å; F44-F47 HydrophobicContact CE1-CE2 3.83Å; F44-F47 HydrophobicContact CG-CD2 4.37Å; F44-F47 WeakPolarHBondContact O-CB 3.45Å; F44-F47 PolarHBondContact O-N 2.83Å; F47-L51 HydrophobicContact CB-CD2 4.1Å; F47-L51 HydrophobicContact CB-CG 4.45Å; F47-L51 HydrophobicContact CD1-CD2 4Å; F47-L51 HydrophobicContact CD2-CD2 3.49Å; F47-L51 VanDerWaalsContact CD2-CD2 3.49Å; F47-L51 HydrophobicContact CD2-CG 3.8Å; F47-L51 HydrophobicContact CE1-CD2 4.23Å; F47-L51 HydrophobicContact CE2-CD2 3.75Å; F47-L51 HydrophobicContact CE2-CG 4.23Å; F47-L51 HydrophobicContact CG-CD2 3.61Å; F47-L51 HydrophobicContact CG-CG 4.23Å; F47-L51 HydrophobicContact CZ-CD2 4.09Å; F47-I55 HydrophobicContact CD2-CD1 3.68Å; F47-I55 HydrophobicContact CE2-CD1 3.53Å; F47-M154 HydrophobicContact CE1-CG 4.38Å; F47-M154 HydrophobicContact CZ-CG 4.18Å; F47-L157 HydrophobicContact CE1-CB 4.22Å; F47-L157 HydrophobicContact CE1-CD2 3.7Å; F47-L157 HydrophobicContact CE2-CD2 4.4Å; F47-L157 HydrophobicContact CZ-CD2 3.37Å
48	H	84.1	Confident	84.3	Confident	89 Å²	89	56.2 Å²	56.2	41%	0.412	27%	0.271	S	S	.	.			trans	-59.5	138.2	171	-172.2	-78.5	0	0	0	109.6	N50 L51 L52	H48-N50 PolarHBondContact CE1-ND2 3.28Å; H48-N50 VanDerWaalsContact CE1-ND2 3.32Å; H48-N50 WeakPolarHBondContact ND1-CB 3.46Å; H48-N50 PolarHBondContact ND1-N 3.25Å; H48-N50 VanDerWaalsContact ND1-N 3.15Å; H48-N50 PolarHBondContact O-N 3.1Å; H48-N50 VanDerWaalsContact O-N 3.09Å; H48-L51 WeakPolarHBondContact O-CA 3.44Å; H48-L51 WeakPolarHBondContact O-CB 3.41Å; H48-L51 PolarHBondContact O-N 2.75Å; H48-L52 PolarHBondContact O-N 3.39Å
49	P	87.1	Confident	84.6	Confident	73 Å²	73	56.2 Å²	56.2	47%	0.474	27%	0.271	S	S	.	.	H	α-helix	trans	-50	-41.9	-177.9	-31.3	35.7	0	0	0	113.8	F35 L51 L52 H53	F35-P49 HydrophobicContact CE2-CB 4.4Å; F35-P49 WeakPolarHBondContact CE2-O 3.46Å; F35-P49 HydrophobicContact CZ-CB 4.11Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 3.26Å; P49-L52 PolarHBondContact O-N 3.32Å; P49-H53 WeakPolarHBondContact O-CB 3.29Å; P49-H53 PolarHBondContact O-N 3.25Å
50	N	88	Confident	85	Confident	92 Å²	92	52.7 Å²	52.7	49%	0.492	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-38.7	175.5	-63	-13.3	0	0	0	113.7	H48 Q54 Y150	H48-N50 PolarHBondContact CE1-ND2 3.28Å; H48-N50 VanDerWaalsContact CE1-ND2 3.32Å; H48-N50 WeakPolarHBondContact ND1-CB 3.46Å; H48-N50 PolarHBondContact ND1-N 3.25Å; H48-N50 VanDerWaalsContact ND1-N 3.15Å; H48-N50 PolarHBondContact O-N 3.1Å; H48-N50 VanDerWaalsContact O-N 3.09Å; N50-Q54 WeakPolarHBondContact O-CG 3.46Å; N50-Q54 PolarHBondContact O-N 3.01Å; N50-Q54 VanDerWaalsContact O-N 3.13Å; N50-Y150 HydrophobicContact CB-CE1 4.37Å
51	L	88.8	Confident	85.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-47.5	176.9	168.2	57.5	0	0	0	110.2	F47 H48 P49 H53 Q54 I55 L146 Y150 C153 M154	F47-L51 HydrophobicContact CB-CD2 4.1Å; F47-L51 HydrophobicContact CB-CG 4.45Å; F47-L51 HydrophobicContact CD1-CD2 4Å; F47-L51 HydrophobicContact CD2-CD2 3.49Å; F47-L51 VanDerWaalsContact CD2-CD2 3.49Å; F47-L51 HydrophobicContact CD2-CG 3.8Å; F47-L51 HydrophobicContact CE1-CD2 4.23Å; F47-L51 HydrophobicContact CE2-CD2 3.75Å; F47-L51 HydrophobicContact CE2-CG 4.23Å; F47-L51 HydrophobicContact CG-CD2 3.61Å; F47-L51 HydrophobicContact CG-CG 4.23Å; F47-L51 HydrophobicContact CZ-CD2 4.09Å; H48-L51 WeakPolarHBondContact O-CA 3.44Å; H48-L51 WeakPolarHBondContact O-CB 3.41Å; H48-L51 PolarHBondContact O-N 2.75Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 3.26Å; L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 2.98Å; L51-Q54 WeakPolarHBondContact O-CB 3.44Å; L51-Q54 PolarHBondContact O-N 3.44Å; L51-I55 HydrophobicContact CD1-CD1 4.15Å; L51-I55 HydrophobicContact CD1-CG1 4.3Å; L51-I55 HydrophobicContact CG-CD1 4.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.46Å; L51-I55 PolarHBondContact O-N 2.81Å; L51-L146 HydrophobicContact CD1-CB 4.3Å; L51-L146 HydrophobicContact CD1-CD2 4.11Å; L51-Y150 HydrophobicContact CB-CD1 4.06Å; L51-Y150 HydrophobicContact CB-CD2 4.29Å; L51-Y150 HydrophobicContact CB-CE1 4.35Å; L51-Y150 HydrophobicContact CB-CG 4.03Å; L51-Y150 HydrophobicContact CD1-CD2 3.71Å; L51-Y150 HydrophobicContact CD1-CE2 4.34Å; L51-Y150 HydrophobicContact CD1-CG 3.99Å; L51-Y150 HydrophobicContact CD2-CG 4.49Å; L51-Y150 HydrophobicContact CG-CG 4.39Å; L51-C153 HydrophobicContact CD2-CB 4.24Å; L51-M154 HydrophobicContact CD1-CE 3.32Å; L51-M154 HydrophobicContact CD2-CE 3.68Å; L51-M154 HydrophobicContact CD2-CG 3.88Å; L51-M154 HydrophobicContact CG-CE 4.1Å
52	L	90	Very high	86.3	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-38.8	178.8	-173.5	60.7	0	0	0	111.8	F35 L38 K39 F44 H48 P49 Q54 I55 C56	F35-L52 HydrophobicContact CD2-CB 4.22Å; F35-L52 HydrophobicContact CD2-CD2 3.99Å; F35-L52 HydrophobicContact CD2-CG 3.9Å; F35-L52 HydrophobicContact CE2-CB 3.8Å; F35-L52 HydrophobicContact CE2-CD2 3.73Å; F35-L52 HydrophobicContact CE2-CG 3.86Å; F35-L52 HydrophobicContact CZ-CD2 4.08Å; L38-L52 HydrophobicContact CB-CD1 3.8Å; L38-L52 HydrophobicContact CB-CG 4.47Å; L38-L52 HydrophobicContact CD1-CD1 4.45Å; K39-L52 HydrophobicContact CB-CD2 3.8Å; K39-L52 HydrophobicContact CG-CD2 4.39Å; F44-L52 HydrophobicContact CB-CD1 3.86Å; F44-L52 HydrophobicContact CD1-CD1 4.41Å; F44-L52 HydrophobicContact CD2-CD1 4.01Å; F44-L52 HydrophobicContact CG-CD1 3.84Å; H48-L52 PolarHBondContact O-N 3.39Å; P49-L52 PolarHBondContact O-N 3.32Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3Å; L52-I55 WeakPolarHBondContact O-CB 3.4Å; L52-I55 PolarHBondContact O-N 2.83Å; L52-C56 PolarHBondContact O-N 3.09Å; L52-C56 PolarHBondContact O-SG 3.19Å
53	H	91.1	Very high	87.2	Confident	72 Å²	72	50.4 Å²	50.4	33%	0.333	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-39.1	173	-173.7	-60.7	0	0	0	112.3	F35 P49 L51 I55 C56 L57	F35-H53 HydrophobicContact CD2-CB 4.38Å; P49-H53 WeakPolarHBondContact O-CB 3.29Å; P49-H53 PolarHBondContact O-N 3.25Å; L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 2.98Å; H53-I55 VanDerWaalsContact C-N 3.35Å; H53-C56 WeakPolarHBondContact O-CB 3.41Å; H53-C56 PolarHBondContact O-N 3.24Å; H53-L57 PolarHBondContact O-N 2.99Å
54	Q	91.7	Very high	88.1	Confident	70 Å²	70	51.3 Å²	51.3	33%	0.327	25%	0.25	S	C	.	.	H	α-helix	trans	-67.2	-38.1	174.8	-64.1	-59.7	-69.7	0	0	111.8	N50 L51 L52 C56 L57 C58 L146 Y150	N50-Q54 WeakPolarHBondContact O-CG 3.46Å; N50-Q54 PolarHBondContact O-N 3.01Å; N50-Q54 VanDerWaalsContact O-N 3.13Å; L51-Q54 WeakPolarHBondContact O-CB 3.44Å; L51-Q54 PolarHBondContact O-N 3.44Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3Å; Q54-C56 VanDerWaalsContact C-N 3.29Å; Q54-C56 PolarHBondContact O-N 3.43Å; Q54-L57 WeakPolarHBondContact O-CB 3.19Å; Q54-L57 PolarHBondContact O-N 2.78Å; Q54-L57 VanDerWaalsContact O-N 3.1Å; Q54-C58 PolarHBondContact O-N 3.01Å; Q54-C58 PolarHBondContact O-SG 3.45Å; Q54-C58 VanDerWaalsContact O-SG 3.34Å; Q54-L146 HydrophobicContact CB-CD2 3.4Å; Q54-L146 HydrophobicContact CG-CD2 4.15Å; Q54-Y150 HydrophobicContact CG-CE2 4.29Å
55	I	91.7	Very high	88.4	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-41.1	173.4	-68.2	170.2	0	0	0	110.9	L38 F44 F47 L51 L52 H53 L57 C58 G59 L136 I138 L146	L38-I55 HydrophobicContact CD1-CG2 4.17Å; F44-I55 HydrophobicContact CD1-CD1 4.37Å; F44-I55 HydrophobicContact CE1-CD1 4.08Å; F47-I55 HydrophobicContact CD2-CD1 3.68Å; F47-I55 HydrophobicContact CE2-CD1 3.53Å; L51-I55 HydrophobicContact CD1-CD1 4.15Å; L51-I55 HydrophobicContact CD1-CG1 4.3Å; L51-I55 HydrophobicContact CG-CD1 4.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.46Å; L51-I55 PolarHBondContact O-N 2.81Å; L52-I55 WeakPolarHBondContact O-CB 3.4Å; L52-I55 PolarHBondContact O-N 2.83Å; H53-I55 VanDerWaalsContact C-N 3.35Å; I55-L57 PolarHBondContact O-N 3.21Å; I55-C58 PolarHBondContact O-N 2.97Å; I55-G59 WeakPolarHBondContact O-CA 3.27Å; I55-G59 PolarHBondContact O-N 3.07Å; I55-L136 HydrophobicContact CG2-CD2 3.56Å; I55-I138 HydrophobicContact CB-CD1 4.42Å; I55-I138 HydrophobicContact CG1-CD1 3.98Å; I55-I138 HydrophobicContact CG2-CD1 3.91Å; I55-L146 HydrophobicContact CG1-CD1 3.93Å
56	C	91.8	Very high	89.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-28.7	176.4	-62	0	0	0	0	112.7	R26 V31 I34 F35 L52 H53 Q54	R26-C56 PolarHBondContact NH1-O 2.93Å; V31-C56 HydrophobicContact CG1-CB 3.83Å; I34-C56 HydrophobicContact CB-CB 4.28Å; I34-C56 HydrophobicContact CG2-CB 3.95Å; F35-C56 VanDerWaalsContact CA-SG 3.55Å; L52-C56 PolarHBondContact O-N 3.09Å; L52-C56 PolarHBondContact O-SG 3.19Å; H53-C56 WeakPolarHBondContact O-CB 3.41Å; H53-C56 PolarHBondContact O-N 3.24Å; Q54-C56 VanDerWaalsContact C-N 3.29Å; Q54-C56 PolarHBondContact O-N 3.43Å
57	L	90.9	Very high	90.1	Very high	57 Å²	57	53.2 Å²	53.2	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-77	-36.6	178.6	-73.3	166.3	0	0	0	112.7	P23 R26 V31 H53 Q54 I55	P23-L57 VanDerWaalsContact CB-O 3.27Å; P23-L57 WeakPolarHBondContact CB-O 3.33Å; R26-L57 PolarHBondContact NH1-O 3.11Å; V31-L57 HydrophobicContact CG2-CD2 3.62Å; V31-L57 HydrophobicContact CG2-CG 4.25Å; H53-L57 PolarHBondContact O-N 2.99Å; Q54-L57 WeakPolarHBondContact O-CB 3.19Å; Q54-L57 PolarHBondContact O-N 2.78Å; Q54-L57 VanDerWaalsContact O-N 3.1Å; I55-L57 PolarHBondContact O-N 3.21Å
58	C	92.3	Very high	90.8	Very high	15 Å²	15	55.9 Å²	55.9	10%	0.101	29%	0.286	C	S	.	.	H	α-helix	trans	-110.5	-10.7	-172.6	67.4	0	0	0	0	115.3	Q54 I55 Y60 D142	Q54-C58 PolarHBondContact O-N 3.01Å; Q54-C58 PolarHBondContact O-SG 3.45Å; Q54-C58 VanDerWaalsContact O-SG 3.34Å; I55-C58 PolarHBondContact O-N 2.97Å; C58-Y60 WeakPolarHBondContact O-CD2 3.39Å; C58-Y60 WeakPolarHBondContact O-CE2 3.31Å; C58-D142 HydrophobicContact CB-CB 4.11Å
59	G	92.1	Very high	91.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.			trans	-72.5	146.3	-176.6	0	0	0	0	0	113.1	R26 I55	R26-G59 VanDerWaalsContact CZ-O 3.24Å; R26-G59 PolarHBondContact NH1-O 3.14Å; R26-G59 PolarHBondContact NH2-O 3.36Å; I55-G59 WeakPolarHBondContact O-CA 3.27Å; I55-G59 PolarHBondContact O-N 3.07Å
60	Y	93	Very high	91.6	Very high	63 Å²	63	52.2 Å²	52.2	25%	0.247	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.9	175	-65.2	-92.4	0	0	0	110.2	P23 C58 L136 R137 E139	P23-Y60 HydrophobicContact CG-CE1 4.09Å; P23-Y60 HydrophobicContact CG-CE2 4.27Å; C58-Y60 WeakPolarHBondContact O-CD2 3.39Å; C58-Y60 WeakPolarHBondContact O-CE2 3.31Å; Y60-L136 CarbonylContact O-C 3.53Å; Y60-L136 WeakPolarHBondContact O-CA 3.43Å; Y60-R137 PolarHBondContact N-O 3.32Å; Y60-R137 PolarHBondContact O-N 2.85Å; Y60-E139 HydrophobicContact CD2-CG 4.43Å; Y60-E139 HydrophobicContact CE2-CG 3.99Å
61	Y	92.8	Very high	91.9	Very high	34 Å²	34	48.8 Å²	48.8	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.8	173	178.9	-104.4	0	0	0	110.6	W15 I16 L19 N63 L84 E134	W15-Y61 HydrophobicContact CH2-CD2 4.23Å; W15-Y61 AromaticContact CH2-CE2 3.93Å; W15-Y61 HydrophobicContact CH2-CE2 3.93Å; W15-Y61 HydrophobicContact CZ3-CD2 4.16Å; W15-Y61 HydrophobicContact CZ3-CE2 4.32Å; I16-Y61 HydrophobicContact CD1-CE2 4.35Å; I16-Y61 HydrophobicContact CG1-CE2 4.21Å; I16-Y61 HydrophobicContact CG2-CD1 3.65Å; I16-Y61 HydrophobicContact CG2-CE1 3.53Å; I16-Y61 HydrophobicContact CG2-CE2 4.39Å; I16-Y61 HydrophobicContact CG2-CG 4.14Å; L19-Y61 HydrophobicContact CD1-CD2 4.46Å; Y61-N63 HydrophobicContact CE1-CB 3.77Å; Y61-L84 HydrophobicContact CD2-CD1 4.28Å; Y61-E134 HydrophobicContact CE2-CB 3.88Å; Y61-E134 HydrophobicContact CE2-CG 4.21Å; Y61-E134 WeakPolarHBondContact CE2-OE2 3.46Å; Y61-E134 VanDerWaalsContact OH-CG 3.25Å; Y61-E134 WeakPolarHBondContact OH-CG 3.5Å; Y61-E134 PolarHBondContact OH-OE2 2.81Å
62	E	92.1	Very high	92.2	Very high	51 Å²	51	54.7 Å²	54.7	24%	0.238	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.2	175.3	-68.5	-80.9	-171.6	0	0	108.6	L64 E134 L135 R137	E62-L64 HydrophobicContact CB-CG 4.4Å; E62-E134 CarbonylContact O-C 3.57Å; E62-E134 VanDerWaalsContact O-CA 3.29Å; E62-E134 WeakPolarHBondContact O-CA 3.29Å; E62-L135 HydrophobicContact CB-CB 4.19Å; E62-L135 PolarHBondContact N-O 3.19Å; E62-L135 PolarHBondContact O-N 2.93Å; E62-R137 HydrophobicContact CG-CB 4.07Å; E62-R137 WeakPolarHBondContact OE1-CD 3.35Å; E62-R137 IonicContact OE1-CZ 3.64Å; E62-R137 IonicContact OE1-NE 2.66Å; E62-R137 IonicContact OE1-NH1 2.64Å; E62-R137 PolarHBondContact OE1-NH1 2.78Å
63	N	91.6	Very high	92.2	Very high	105 Å²	105	56.1 Å²	56.1	56%	0.561	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.2	171.9	-175	-3.5	0	0	0	108.7	Y61	Y61-N63 HydrophobicContact CE1-CB 3.77Å
64	L	92	Very high	92.1	Very high	27 Å²	27	55 Å²	55	14%	0.141	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.3	-171.1	-57.7	-179.5	0	0	0	110.4	E62 I68 L70 T129 S132 S133 L135	E62-L64 HydrophobicContact CB-CG 4.4Å; L64-I68 HydrophobicContact CD1-CG2 4.46Å; L64-I68 HydrophobicContact CD2-CG2 4.41Å; L64-L70 HydrophobicContact CD1-CD1 3.65Å; L64-L70 HydrophobicContact CD1-CG 4.01Å; L64-T129 HydrophobicContact CB-CG2 3.85Å; L64-T129 HydrophobicContact CD1-CG2 3.97Å; L64-S132 CarbonylContact O-C 3.59Å; L64-S132 VanDerWaalsContact O-CA 3.28Å; L64-S132 WeakPolarHBondContact O-CA 3.41Å; L64-S133 PolarHBondContact N-O 3.33Å; L64-S133 PolarHBondContact O-N 3.45Å; L64-L135 HydrophobicContact CD1-CD1 3.75Å
65	E	89.5	Confident	92.2	Very high	147 Å²	147	54.9 Å²	54.9	69%	0.687	29%	0.286	S	S	*	.			trans	-70	167.7	172.6	-64.6	-171.8	174	0	0	112	I68 T129	E65-I68 HydrophobicContact CB-CG1 4.38Å; E65-I68 VanDerWaalsContact O-CG1 3.29Å; E65-I68 WeakPolarHBondContact O-CG1 3.49Å; E65-T129 WeakPolarHBondContact O-CB 3.14Å; E65-T129 PolarHBondContact O-OG1 3.35Å
66	K	88.8	Confident	92.2	Very high	151 Å²	151	61 Å²	61	66%	0.657	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	135.1	174.2	174.7	169.8	179.8	173	0	111.8	R130	K66-R130 VanDerWaalsContact CD-O 3.24Å; K66-R130 WeakPolarHBondContact CD-O 3.34Å; K66-R130 WeakPolarHBondContact CE-O 3.46Å; K66-R130 VanDerWaalsContact CG-O 3.3Å; K66-R130 WeakPolarHBondContact CG-O 3.44Å
67	G	90.9	Very high	92.1	Very high	47 Å²	47	61.3 Å²	61.3	49%	0.485	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	4.7	173.3	0	0	0	0	0	114.9	T129	G67-T129 WeakPolarHBondContact CA-O 3.39Å; G67-T129 PolarHBondContact N-O 3.06Å; G67-T129 PolarHBondContact N-OG1 3.11Å
68	I	96	Very high	92.3	Very high	75 Å²	75	62.6 Å²	62.6	39%	0.385	33%	0.331	S	S	.	.			trans	-75.3	127.3	177.4	-62	-63.7	0	0	0	109.9	L64 E65 V128 T129	L64-I68 HydrophobicContact CD1-CG2 4.46Å; L64-I68 HydrophobicContact CD2-CG2 4.41Å; E65-I68 HydrophobicContact CB-CG1 4.38Å; E65-I68 VanDerWaalsContact O-CG1 3.29Å; E65-I68 WeakPolarHBondContact O-CG1 3.49Å; I68-V128 CarbonylContact O-C 3.54Å; I68-V128 VanDerWaalsContact O-CA 3.31Å; I68-V128 WeakPolarHBondContact O-CA 3.34Å; I68-T129 HydrophobicContact CB-CG2 4.43Å; I68-T129 PolarHBondContact N-OG1 2.98Å; I68-T129 PolarHBondContact O-N 3.1Å; I68-T129 PolarHBondContact O-OG1 2.94Å
69	T	95.4	Very high	92.5	Very high	51 Å²	51	62.6 Å²	62.6	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.6	174.3	-56	0	0	0	0	109.5	F71 R72 T126 I127 V128	T69-F71 WeakPolarHBondContact CG2-O 3.47Å; T69-R72 HydrophobicContact CG2-CG 4.02Å; T69-T126 HydrophobicContact CG2-CG2 3.78Å; T69-I127 WeakPolarHBondContact CA-O 3.29Å; T69-V128 HydrophobicContact CG2-CG2 4.27Å
70	L	93.9	Very high	92.6	Very high	34 Å²	34	62.7 Å²	62.7	18%	0.178	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-44.4	178.2	-80.2	68.9	0	0	0	111.3	L64 Y81 L88 F113 I127 T129 L135	L64-L70 HydrophobicContact CD1-CD1 3.65Å; L64-L70 HydrophobicContact CD1-CG 4.01Å; L70-Y81 HydrophobicContact CD2-CD1 4.08Å; L70-Y81 HydrophobicContact CD2-CE1 3.98Å; L70-Y81 HydrophobicContact CD2-CE2 4.44Å; L70-Y81 HydrophobicContact CD2-CG 4.34Å; L70-L88 HydrophobicContact CD1-CD2 3.71Å; L70-L88 HydrophobicContact CD2-CD2 4.02Å; L70-F113 HydrophobicContact CD2-CE2 3.99Å; L70-F113 HydrophobicContact CD2-CZ 3.8Å; L70-I127 PolarHBondContact N-O 3.15Å; L70-T129 HydrophobicContact CD1-CG2 3.88Å; L70-L135 HydrophobicContact CD2-CD1 3.65Å; L70-L135 HydrophobicContact CG-CD1 4.48Å
71	F	94.3	Very high	92.7	Very high	20 Å²	20	60.6 Å²	60.6	9%	0.088	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	159.1	176	49.8	-102.8	0	0	0	109.8	T69 Y81 F113 R123 A125 T126 I127	T69-F71 WeakPolarHBondContact CG2-O 3.47Å; F71-Y81 HydrophobicContact CD1-CE2 4.34Å; F71-Y81 HydrophobicContact CE1-CD2 4.32Å; F71-Y81 AromaticContact CE1-CE2 3.94Å; F71-Y81 HydrophobicContact CE1-CE2 3.94Å; F71-F113 HydrophobicContact CE1-CD2 4.38Å; F71-F113 HydrophobicContact CE1-CE2 4.03Å; F71-F113 HydrophobicContact CZ-CD2 4.13Å; F71-F113 HydrophobicContact CZ-CE2 4.13Å; F71-R123 HydrophobicContact CB-CG 4.32Å; F71-R123 HydrophobicContact CD2-CB 3.83Å; F71-R123 HydrophobicContact CD2-CG 3.47Å; F71-R123 VanDerWaalsContact CD2-CG 3.47Å; F71-R123 HydrophobicContact CE2-CB 4.09Å; F71-R123 HydrophobicContact CE2-CG 3.83Å; F71-R123 HydrophobicContact CG-CG 3.93Å; F71-A125 WeakPolarHBondContact CE2-O 3.03Å; F71-T126 WeakPolarHBondContact O-CA 3.34Å; F71-I127 HydrophobicContact CE1-CD1 4.42Å; F71-I127 HydrophobicContact CE2-CB 4.12Å; F71-I127 HydrophobicContact CE2-CD1 3.83Å; F71-I127 HydrophobicContact CE2-CG1 3.68Å; F71-I127 HydrophobicContact CZ-CB 4.17Å; F71-I127 HydrophobicContact CZ-CD1 3.48Å; F71-I127 VanDerWaalsContact CZ-CD1 3.48Å; F71-I127 HydrophobicContact CZ-CG1 3.82Å; F71-I127 PolarHBondContact O-N 2.83Å
72	R	93.7	Very high	92.7	Very high	124 Å²	124	59 Å²	59	47%	0.468	32%	0.316	S	S	.	.			trans	-101.3	156.7	175.5	-65	-177	176.1	80.4	2.8	111.4	T69 G74 D75 R123 T126	T69-R72 HydrophobicContact CG2-CG 4.02Å; R72-G74 PolarHBondContact O-N 2.91Å; R72-D75 WeakPolarHBondContact CA-OD2 3.46Å; R72-D75 WeakPolarHBondContact CB-OD2 3.48Å; R72-D75 PolarHBondContact N-OD2 3.48Å; R72-D75 VanDerWaalsContact O-CB 3.3Å; R72-D75 WeakPolarHBondContact O-CB 3.47Å; R72-D75 PolarHBondContact O-N 2.66Å; R72-D75 VanDerWaalsContact O-N 3.13Å; R72-R123 WeakPolarHBondContact O-CB 3.32Å; R72-T126 WeakPolarHBondContact CA-OG1 3.35Å; R72-T126 HydrophobicContact CB-CG2 4.49Å; R72-T126 HydrophobicContact CG-CG2 4.14Å
73	Q	90.3	Very high	92.6	Very high	33 Å²	33	56.5 Å²	56.5	15%	0.154	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	132.2	170.2	177.3	177.5	-22.4	0	0	109.7	D75 S93 H98 R123 A125 T126	Q73-D75 VanDerWaalsContact C-N 3.34Å; Q73-S93 PolarHBondContact NE2-O 2.85Å; Q73-S93 PolarHBondContact OE1-O 3.15Å; Q73-H98 PolarHBondContact O-CE1 3.36Å; Q73-R123 CarbonylContact C-O 3.57Å; Q73-R123 WeakPolarHBondContact CA-O 3.48Å; Q73-A125 PolarHBondContact N-O 2.95Å; Q73-T126 PolarHBondContact N-OG1 3.35Å
74	G	89.9	Confident	92.5	Very high	49 Å²	49	52.5 Å²	52.5	51%	0.505	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-14.3	-177.5	0	0	0	0	0	114.8	R72 R123	R72-G74 PolarHBondContact O-N 2.91Å; G74-R123 PolarHBondContact N-O 2.83Å
75	D	92.7	Very high	92.2	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.364	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-64.5	152.4	175.5	-69.3	-12.9	0	0	0	111.1	R72 Q73 G77 P122 R123	R72-D75 WeakPolarHBondContact CA-OD2 3.46Å; R72-D75 WeakPolarHBondContact CB-OD2 3.48Å; R72-D75 PolarHBondContact N-OD2 3.48Å; R72-D75 VanDerWaalsContact O-CB 3.3Å; R72-D75 WeakPolarHBondContact O-CB 3.47Å; R72-D75 PolarHBondContact O-N 2.66Å; R72-D75 VanDerWaalsContact O-N 3.13Å; Q73-D75 VanDerWaalsContact C-N 3.34Å; D75-G77 PolarHBondContact O-N 3.5Å; D75-P122 WeakPolarHBondContact O-CA 3.41Å; D75-R123 HydrophobicContact CB-CG 4.35Å; D75-R123 WeakPolarHBondContact O-CG 3.33Å; D75-R123 PolarHBondContact O-N 3.42Å
76	I	92.8	Very high	92	Very high	131 Å²	131	45.9 Å²	45.9	67%	0.672	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-77.5	118.8	167.5	-60.1	177.2	0	0	0	107.9
77	G	90.1	Very high	92	Very high	6 Å²	6	39.3 Å²	39.3	6%	0.062	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-73.4	140.3	178.3	0	0	0	0	0	112.8	D75 I117 R123	D75-G77 PolarHBondContact O-N 3.5Å; G77-I117 VanDerWaalsContact O-CG2 3.31Å; G77-I117 WeakPolarHBondContact O-CG2 3.5Å; G77-R123 VanDerWaalsContact CA-CZ 3.46Å; G77-R123 VanDerWaalsContact CA-NE 3.35Å
78	T	93.8	Very high	92.1	Very high	83 Å²	83	37 Å²	37	51%	0.509	21%	0.208	S	C	.	.			trans	-115.8	-14.4	178.9	54.9	0	0	0	0	114	Q140	T78-Q140 VanDerWaalsContact O-CB 3.29Å; T78-Q140 WeakPolarHBondContact O-CB 3.47Å; T78-Q140 PolarHBondContact O-N 2.87Å
79	N	95.9	Very high	91.9	Very high	16 Å²	16	34.9 Å²	34.9	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.5	-170.4	-56.9	-63.1	0	0	0	112.4	Y81 R123 R137 I138	N79-Y81 HydrophobicContact CB-CD2 4.44Å; N79-Y81 HydrophobicContact CB-CE1 4.37Å; N79-Y81 HydrophobicContact CB-CE2 3.65Å; N79-Y81 PolarHBondContact ND2-OH 3.21Å; N79-Y81 WeakPolarHBondContact O-CE2 3.33Å; N79-R123 PolarHBondContact O-NH2 2.95Å; N79-R137 HydrophobicContact CB-CG 3.69Å; N79-I138 CarbonylContact C-O 3.51Å; N79-I138 VanDerWaalsContact CA-O 3.29Å; N79-I138 WeakPolarHBondContact CA-O 3.42Å
80	W	95.5	Very high	91.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149	166	176.9	87.3	0	0	0	109.3	F44 A82 A112 F113 I117 R137 I138 F143 L157	F44-W80 AromaticContact CE1-CH2 3.71Å; F44-W80 HydrophobicContact CE1-CH2 3.71Å; F44-W80 HydrophobicContact CE1-CZ3 4.29Å; F44-W80 AromaticContact CZ-CH2 4Å; F44-W80 HydrophobicContact CZ-CH2 4Å; F44-W80 HydrophobicContact CZ-CZ3 4.27Å; W80-A82 HydrophobicContact CH2-CB 3.82Å; W80-A82 HydrophobicContact CZ3-CB 4.01Å; W80-A112 HydrophobicContact CH2-CB 3.89Å; W80-A112 HydrophobicContact CZ2-CB 3.32Å; W80-F113 VanDerWaalsContact CD1-O 3.29Å; W80-I117 HydrophobicContact CB-CD1 3.87Å; W80-R137 CarbonylContact O-C 3.53Å; W80-R137 WeakPolarHBondContact O-CA 3.21Å; W80-I138 HydrophobicContact CE3-CB 4.14Å; W80-I138 HydrophobicContact CE3-CD1 3.61Å; W80-I138 HydrophobicContact CE3-CG1 3.85Å; W80-I138 HydrophobicContact CZ3-CD1 3.62Å; W80-I138 HydrophobicContact CZ3-CG1 4.15Å; W80-I138 PolarHBondContact N-O 2.94Å; W80-I138 PolarHBondContact O-N 3.03Å; W80-F143 HydrophobicContact CB-CB 4.41Å; W80-F143 HydrophobicContact CB-CD1 3.89Å; W80-F143 HydrophobicContact CB-CD2 3.94Å; W80-F143 HydrophobicContact CB-CE1 4.09Å; W80-F143 HydrophobicContact CB-CE2 4.15Å; W80-F143 HydrophobicContact CB-CG 3.81Å; W80-F143 HydrophobicContact CB-CZ 4.22Å; W80-F143 AromaticContact CD1-CE1 3.7Å; W80-F143 AromaticContact CD1-CE2 3.85Å; W80-F143 AromaticContact CD1-CZ 3.41Å; W80-F143 VanDerWaalsContact CD1-CZ 3.41Å; W80-F143 AromaticContact CD2-CD2 3.95Å; W80-F143 HydrophobicContact CD2-CD2 3.95Å; W80-F143 AromaticContact CD2-CE2 3.52Å; W80-F143 HydrophobicContact CD2-CE2 3.52Å; W80-F143 AromaticContact CD2-CZ 3.92Å; W80-F143 HydrophobicContact CD2-CZ 3.92Å; W80-F143 AromaticContact CE2-CE2 3.72Å; W80-F143 AromaticContact CE2-CZ 3.87Å; W80-F143 HydrophobicContact CE3-CD2 4.21Å; W80-F143 HydrophobicContact CE3-CE2 4.05Å; W80-F143 HydrophobicContact CG-CD1 4.16Å; W80-F143 AromaticContact CG-CD2 3.87Å; W80-F143 HydrophobicContact CG-CD2 3.87Å; W80-F143 AromaticContact CG-CE1 3.89Å; W80-F143 HydrophobicContact CG-CE1 3.89Å; W80-F143 AromaticContact CG-CE2 3.58Å; W80-F143 HydrophobicContact CG-CE2 3.58Å; W80-F143 HydrophobicContact CG-CG 4.15Å; W80-F143 AromaticContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CZ2-CE2 4.34Å; W80-F143 AromaticContact NE1-CE2 3.93Å; W80-F143 AromaticContact NE1-CZ 3.58Å; W80-L157 HydrophobicContact CZ2-CD2 4.19Å
81	Y	95.1	Very high	91.2	Very high	18 Å²	18	33.8 Å²	33.8	7%	0.071	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.8	-172.1	-59.6	-93.9	0	0	0	112	L70 F71 N79 A112 F113 L135 L136 R137	L70-Y81 HydrophobicContact CD2-CD1 4.08Å; L70-Y81 HydrophobicContact CD2-CE1 3.98Å; L70-Y81 HydrophobicContact CD2-CE2 4.44Å; L70-Y81 HydrophobicContact CD2-CG 4.34Å; F71-Y81 HydrophobicContact CD1-CE2 4.34Å; F71-Y81 HydrophobicContact CE1-CD2 4.32Å; F71-Y81 AromaticContact CE1-CE2 3.94Å; F71-Y81 HydrophobicContact CE1-CE2 3.94Å; N79-Y81 HydrophobicContact CB-CD2 4.44Å; N79-Y81 HydrophobicContact CB-CE1 4.37Å; N79-Y81 HydrophobicContact CB-CE2 3.65Å; N79-Y81 PolarHBondContact ND2-OH 3.21Å; N79-Y81 WeakPolarHBondContact O-CE2 3.33Å; Y81-A112 CarbonylContact O-C 3.59Å; Y81-A112 VanDerWaalsContact O-CA 3.24Å; Y81-A112 WeakPolarHBondContact O-CA 3.44Å; Y81-A112 WeakPolarHBondContact O-CB 3.41Å; Y81-F113 VanDerWaalsContact CB-CZ 3.49Å; Y81-F113 HydrophobicContact CD2-CD2 4.19Å; Y81-F113 AromaticContact CD2-CE2 3.66Å; Y81-F113 HydrophobicContact CD2-CE2 3.66Å; Y81-F113 HydrophobicContact CD2-CZ 4.21Å; Y81-F113 AromaticContact CG-CE2 3.85Å; Y81-F113 HydrophobicContact CG-CE2 3.85Å; Y81-F113 AromaticContact CG-CZ 3.91Å; Y81-F113 HydrophobicContact CG-CZ 3.91Å; Y81-F113 PolarHBondContact N-O 3.07Å; Y81-F113 PolarHBondContact O-N 2.98Å; Y81-L135 HydrophobicContact CD1-CD1 4.08Å; Y81-L136 CarbonylContact C-O 3.57Å; Y81-L136 VanDerWaalsContact CA-O 3.26Å; Y81-L136 WeakPolarHBondContact CA-O 3.44Å; Y81-R137 HydrophobicContact CD1-CB 4.09Å; Y81-R137 HydrophobicContact CD1-CG 4.01Å; Y81-R137 HydrophobicContact CE1-CB 4.06Å; Y81-R137 HydrophobicContact CE1-CG 3.59Å
82	A	92.6	Very high	90.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.9	164.4	0	0	0	0	0	110.2	F44 W80 L84 A112 L135 L136	F44-A82 HydrophobicContact CE2-CB 4.32Å; F44-A82 HydrophobicContact CZ-CB 3.7Å; W80-A82 HydrophobicContact CH2-CB 3.82Å; W80-A82 HydrophobicContact CZ3-CB 4.01Å; A82-L84 PolarHBondContact O-N 3.38Å; A82-A112 HydrophobicContact CB-CB 4.13Å; A82-L135 CarbonylContact O-C 3.5Å; A82-L135 WeakPolarHBondContact O-CA 3.38Å; A82-L136 HydrophobicContact CB-CB 4.33Å; A82-L136 PolarHBondContact N-O 2.98Å; A82-L136 PolarHBondContact O-N 3.07Å
83	V	90.4	Very high	90.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.4	-177.7	-172.6	0	0	0	0	110	A85 L88 G108 I109 G110 T111 F113 L135	V83-A85 WeakPolarHBondContact CG1-O 3.36Å; V83-L88 HydrophobicContact CG1-CD1 4.13Å; V83-L88 HydrophobicContact CG2-CD1 3.57Å; V83-G108 WeakPolarHBondContact CB-O 3.43Å; V83-I109 HydrophobicContact CG1-CG1 4.44Å; V83-G110 PolarHBondContact O-N 2.86Å; V83-T111 PolarHBondContact N-O 3.38Å; V83-F113 HydrophobicContact CG2-CD1 4.47Å; V83-F113 HydrophobicContact CG2-CE1 3.88Å; V83-L135 HydrophobicContact CB-CD2 4.09Å; V83-L135 HydrophobicContact CG1-CD2 4.05Å; V83-L135 HydrophobicContact CG2-CD2 3.85Å
84	L	88.6	Confident	89.3	Confident	20 Å²	20	33.2 Å²	33.2	11%	0.105	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-39.8	176.8	-54	179.3	0	0	0	111.2	W15 L38 V41 Y61 A82 I109 E134 L136	W15-L84 HydrophobicContact CH2-CD1 3.68Å; W15-L84 HydrophobicContact CZ3-CD1 3.69Å; L38-L84 HydrophobicContact CD2-CD2 3.88Å; V41-L84 HydrophobicContact CG2-CD2 3.99Å; Y61-L84 HydrophobicContact CD2-CD1 4.28Å; A82-L84 PolarHBondContact O-N 3.38Å; L84-I109 WeakPolarHBondContact O-CG2 3.45Å; L84-E134 WeakPolarHBondContact CA-O 3.47Å; L84-E134 HydrophobicContact CB-CB 4.29Å; L84-E134 WeakPolarHBondContact CB-O 3.5Å; L84-E134 PolarHBondContact N-O 3.13Å; L84-L136 HydrophobicContact CD1-CB 4.16Å; L84-L136 HydrophobicContact CD2-CB 4.21Å; L84-L136 HydrophobicContact CG-CB 4.23Å
85	A	86.4	Confident	88.7	Confident	24 Å²	24	34.1 Å²	34.1	20%	0.198	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.3	175	0	0	0	0	0	111.4	V83 S133 E134	V83-A85 WeakPolarHBondContact CG1-O 3.36Å; A85-S133 CarbonylContact O-C 3.58Å; A85-S133 VanDerWaalsContact O-CA 3.31Å; A85-S133 WeakPolarHBondContact O-CA 3.44Å; A85-E134 HydrophobicContact CB-CB 3.78Å; A85-E134 HydrophobicContact CB-CG 3.85Å; A85-E134 PolarHBondContact N-O 3.33Å; A85-E134 PolarHBondContact O-N 3.46Å
86	G	85.9	Confident	87.9	Confident	12 Å²	12	37 Å²	37	12%	0.124	21%	0.212	C	C	.	.	S	Bend	trans	82.2	-162.8	178.2	0	0	0	0	0	114.8	E131	G86-E131 WeakPolarHBondContact CA-OE1 3.3Å
87	S	88.5	Confident	87.4	Confident	12 Å²	12	32.7 Å²	32.7	8%	0.084	19%	0.194	C	C	.	.			trans	-151.7	153	-177.7	56.7	0	0	0	0	112.9	L107 R130 E131 S133	S87-L107 CarbonylContact C-O 3.59Å; S87-L107 WeakPolarHBondContact CA-O 3.24Å; S87-R130 WeakPolarHBondContact O-CB 3.48Å; S87-R130 PolarHBondContact O-N 2.82Å; S87-E131 WeakPolarHBondContact CB-OE1 3.39Å; S87-E131 PolarHBondContact N-OE1 2.97Å; S87-E131 VanDerWaalsContact OG-CD 3.3Å; S87-E131 PolarHBondContact OG-OE1 2.73Å; S87-S133 PolarHBondContact N-OG 3.09Å; S87-S133 PolarHBondContact O-OG 3.16Å
88	L	92.4	Very high	86.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.7	-175.9	-55.4	91.6	0	0	0	111.6	L70 V83 T106 L107 F113 I127 V128 T129 L135	L70-L88 HydrophobicContact CD1-CD2 3.71Å; L70-L88 HydrophobicContact CD2-CD2 4.02Å; V83-L88 HydrophobicContact CG1-CD1 4.13Å; V83-L88 HydrophobicContact CG2-CD1 3.57Å; L88-T106 CarbonylContact O-C 3.57Å; L88-T106 WeakPolarHBondContact O-CA 3.45Å; L88-L107 PolarHBondContact N-O 2.73Å; L88-L107 PolarHBondContact O-N 3.41Å; L88-F113 HydrophobicContact CD2-CZ 4.12Å; L88-I127 HydrophobicContact CB-CG2 3.86Å; L88-I127 HydrophobicContact CD2-CG2 3.65Å; L88-I127 HydrophobicContact CG-CG2 4.41Å; L88-V128 CarbonylContact C-O 3.58Å; L88-V128 VanDerWaalsContact CA-O 3.29Å; L88-V128 WeakPolarHBondContact CA-O 3.42Å; L88-T129 HydrophobicContact CD2-CG2 3.96Å; L88-T129 HydrophobicContact CG-CG2 4.29Å; L88-L135 HydrophobicContact CD1-CD2 3.95Å; L88-L135 HydrophobicContact CD2-CD1 4.27Å
89	D	90.8	Very high	86.1	Confident	30 Å²	30	41.4 Å²	41.4	16%	0.16	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.6	173.2	-72.9	-19	0	0	0	110.4	K91 T103 I127 V128 R130	D89-K91 HydrophobicContact CB-CG 4.45Å; D89-T103 HydrophobicContact CB-CG2 3.86Å; D89-I127 WeakPolarHBondContact O-CA 3.48Å; D89-V128 PolarHBondContact N-O 2.82Å; D89-V128 PolarHBondContact O-N 3.43Å; D89-R130 WeakPolarHBondContact OD1-CD 3.29Å
90	V	88.9	Confident	85.3	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.3	169.1	-173.4	0	0	0	0	108.7	T103 I104 C105 L107 A125	V90-T103 CarbonylContact O-C 3.54Å; V90-T103 WeakPolarHBondContact O-CA 3.26Å; V90-I104 HydrophobicContact CB-CD1 4.46Å; V90-I104 HydrophobicContact CB-CG1 4.04Å; V90-I104 HydrophobicContact CG1-CD1 3.87Å; V90-I104 HydrophobicContact CG1-CG1 3.94Å; V90-I104 VanDerWaalsContact O-CG1 3.25Å; V90-I104 WeakPolarHBondContact O-CG1 3.39Å; V90-I104 PolarHBondContact O-N 2.87Å; V90-C105 PolarHBondContact N-O 3.01Å; V90-L107 HydrophobicContact CG2-CD1 3.64Å; V90-L107 HydrophobicContact CG2-CD2 4.02Å; V90-L107 HydrophobicContact CG2-CG 3.59Å; V90-A125 HydrophobicContact CG1-CB 3.48Å; V90-A125 VanDerWaalsContact CG1-CB 3.48Å
91	K	86.9	Confident	84.6	Confident	59 Å²	59	45.7 Å²	45.7	26%	0.257	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.8	-177.1	-56.4	-175.7	-179.6	-174.1	0	112.1	D89 A101 V102 T103 A125 T126 V128	D89-K91 HydrophobicContact CB-CG 4.45Å; K91-A101 HydrophobicContact CB-CB 4.11Å; K91-V102 CarbonylContact C-O 3.54Å; K91-V102 WeakPolarHBondContact CA-O 3.34Å; K91-T103 WeakPolarHBondContact CE-OG1 3.42Å; K91-A125 CarbonylContact O-C 3.6Å; K91-A125 WeakPolarHBondContact O-CA 3.43Å; K91-A125 WeakPolarHBondContact O-CB 3.34Å; K91-T126 PolarHBondContact N-O 2.98Å; K91-T126 PolarHBondContact O-N 2.91Å; K91-V128 HydrophobicContact CD-CG2 4.36Å
92	V	82.9	Confident	83.7	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.5	178.7	179.2	0	0	0	0	109.9	A101 V102 I104 A125 I406 K409	V92-A101 WeakPolarHBondContact O-CA 3.24Å; V92-V102 PolarHBondContact N-O 3.13Å; V92-V102 PolarHBondContact O-N 2.84Å; V92-I104 HydrophobicContact CG2-CD1 3.65Å; V92-I104 HydrophobicContact CG2-CG1 4.29Å; V92-A125 HydrophobicContact CG2-CB 3.66Å; V92-I406 HydrophobicContact CB-CD1 4.32Å; V92-I406 HydrophobicContact CG1-CD1 3.97Å; V92-I406 HydrophobicContact CG2-CD1 4.03Å; V92-K409 VanDerWaalsContact CG1-NZ 3.32Å
93	S	82.4	Confident	83.1	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	28%	0.276	C	S	.	.			trans	-106.6	136.7	167.2	-174.7	0	0	0	0	110.2	Q73 T95 S97	Q73-S93 PolarHBondContact NE2-O 2.85Å; Q73-S93 PolarHBondContact OE1-O 3.15Å; S93-T95 VanDerWaalsContact C-N 3.35Å; S93-T95 PolarHBondContact OG-N 3.42Å; S93-T95 VanDerWaalsContact OG-N 3.11Å; S93-T95 PolarHBondContact OG-O 3.14Å; S93-T95 PolarHBondContact OG-OG1 3.48Å; S93-T95 VanDerWaalsContact OG-OG1 3.07Å; S93-S97 VanDerWaalsContact CB-O 3.28Å; S93-S97 WeakPolarHBondContact CB-O 3.41Å; S93-S97 PolarHBondContact OG-O 3.12Å
94	E	72	Confident	82.7	Confident	154 Å²	154	50.1 Å²	50.1	72%	0.72	28%	0.281	S	S	*	.	S	Bend	trans	-84.4	-13.7	168.4	-65.7	-171	166.5	0	0	112
95	T	77.3	Confident	82.3	Confident	68 Å²	68	49.3 Å²	49.3	42%	0.417	28%	0.277	S	S	.	.	S	Bend	trans	-99.1	172.5	175.6	73.4	0	0	0	0	110.9	S93 S97 D100	S93-T95 VanDerWaalsContact C-N 3.35Å; S93-T95 PolarHBondContact OG-N 3.42Å; S93-T95 VanDerWaalsContact OG-N 3.11Å; S93-T95 PolarHBondContact OG-O 3.14Å; S93-T95 PolarHBondContact OG-OG1 3.48Å; S93-T95 VanDerWaalsContact OG-OG1 3.07Å; T95-S97 PolarHBondContact O-N 3.27Å; T95-S97 WeakPolarHBondContact OG1-CB 3.44Å; T95-S97 PolarHBondContact OG1-N 3.06Å; T95-S97 VanDerWaalsContact OG1-N 3.1Å; T95-S97 PolarHBondContact OG1-O 3.05Å; T95-D100 WeakPolarHBondContact CB-OD2 3.39Å; T95-D100 HydrophobicContact CG2-CB 4.48Å; T95-D100 WeakPolarHBondContact CG2-OD2 3.41Å; T95-D100 PolarHBondContact OG1-OD2 3.04Å
96	S	75.8	Confident	82.3	Confident	130 Å²	130	48.9 Å²	48.9	91%	0.909	27%	0.272	S	S	*	.	S	Bend	trans	-72.9	-4	168.8	52.1	0	0	0	0	113.2
97	S	82.4	Confident	82.3	Confident	40 Å²	40	48.4 Å²	48.4	28%	0.28	27%	0.266	S	S	.	.			trans	-96.5	127.8	179.6	-179.8	0	0	0	0	111.2	S93 T95 Q99 D100	S93-S97 VanDerWaalsContact CB-O 3.28Å; S93-S97 WeakPolarHBondContact CB-O 3.41Å; S93-S97 PolarHBondContact OG-O 3.12Å; T95-S97 PolarHBondContact O-N 3.27Å; T95-S97 WeakPolarHBondContact OG1-CB 3.44Å; T95-S97 PolarHBondContact OG1-N 3.06Å; T95-S97 VanDerWaalsContact OG1-N 3.1Å; T95-S97 PolarHBondContact OG1-O 3.05Å; S97-Q99 PolarHBondContact O-N 3.48Å; S97-Q99 PolarHBondContact OG-N 3.34Å; S97-D100 PolarHBondContact O-N 3.33Å
98	H	80.1	Confident	82.2	Confident	93 Å²	93	48.4 Å²	48.4	43%	0.431	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-72.4	-13.8	172.7	-57.8	-56.4	0	0	0	113.5	Q73 D100 A101	Q73-H98 PolarHBondContact O-CE1 3.36Å; H98-D100 PolarHBondContact O-N 2.81Å; H98-A101 WeakPolarHBondContact O-CB 3.23Å; H98-A101 PolarHBondContact O-N 2.81Å
99	Q	77.3	Confident	81.8	Confident	179 Å²	179	51.4 Å²	51.4	84%	0.836	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-70.5	-25.8	177.8	-64.8	-177.5	-18.5	0	0	111.9	S97 A101	S97-Q99 PolarHBondContact O-N 3.48Å; S97-Q99 PolarHBondContact OG-N 3.34Å; Q99-A101 PolarHBondContact O-N 2.78Å
100	D	79.9	Confident	81.5	Confident	86 Å²	86	50.2 Å²	50.2	46%	0.46	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-86.7	4	177.8	-51	-28.6	0	0	0	111.8	T95 S97 H98 V102	T95-D100 WeakPolarHBondContact CB-OD2 3.39Å; T95-D100 HydrophobicContact CG2-CB 4.48Å; T95-D100 WeakPolarHBondContact CG2-OD2 3.41Å; T95-D100 PolarHBondContact OG1-OD2 3.04Å; S97-D100 PolarHBondContact O-N 3.33Å; H98-D100 PolarHBondContact O-N 2.81Å; D100-V102 PolarHBondContact O-N 3.18Å
101	A	79.1	Confident	81.4	Confident	22 Å²	22	50.1 Å²	50.1	18%	0.182	28%	0.277	C	S	.	.			trans	-71.1	123.6	-176.8	0	0	0	0	0	111.2	K91 V92 H98 Q99	K91-A101 HydrophobicContact CB-CB 4.11Å; V92-A101 WeakPolarHBondContact O-CA 3.24Å; H98-A101 WeakPolarHBondContact O-CB 3.23Å; H98-A101 PolarHBondContact O-N 2.81Å; Q99-A101 PolarHBondContact O-N 2.78Å
102	V	77.4	Confident	81.5	Confident	47 Å²	47	48 Å²	48	29%	0.285	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.2	-177.2	-66.3	0	0	0	0	111.8	K91 V92 D100 I104 L424	K91-V102 CarbonylContact C-O 3.54Å; K91-V102 WeakPolarHBondContact CA-O 3.34Å; V92-V102 PolarHBondContact N-O 3.13Å; V92-V102 PolarHBondContact O-N 2.84Å; D100-V102 PolarHBondContact O-N 3.18Å; V102-I104 PolarHBondContact O-N 2.7Å; V102-L424 HydrophobicContact CB-CD1 4Å; V102-L424 HydrophobicContact CB-CD2 3.42Å; V102-L424 VanDerWaalsContact CB-CD2 3.42Å; V102-L424 HydrophobicContact CB-CG 4.34Å; V102-L424 HydrophobicContact CG1-CD1 4.29Å; V102-L424 HydrophobicContact CG1-CD2 4.09Å; V102-L424 HydrophobicContact CG2-CD2 3.44Å; V102-L424 VanDerWaalsContact CG2-CD2 3.44Å
103	T	80.6	Confident	81.9	Confident	43 Å²	43	47.8 Å²	47.8	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.8	176.6	-56.3	0	0	0	0	110.4	D89 V90 K91	D89-T103 HydrophobicContact CB-CG2 3.86Å; V90-T103 CarbonylContact O-C 3.54Å; V90-T103 WeakPolarHBondContact O-CA 3.26Å; K91-T103 WeakPolarHBondContact CE-OG1 3.42Å
104	I	81.2	Confident	82.3	Confident	21 Å²	21	48.1 Å²	48.1	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-35.8	-179.2	51.7	166.5	0	0	0	112.8	V90 V92 V102 V404 I406 V412 A433	V90-I104 HydrophobicContact CB-CD1 4.46Å; V90-I104 HydrophobicContact CB-CG1 4.04Å; V90-I104 HydrophobicContact CG1-CD1 3.87Å; V90-I104 HydrophobicContact CG1-CG1 3.94Å; V90-I104 VanDerWaalsContact O-CG1 3.25Å; V90-I104 WeakPolarHBondContact O-CG1 3.39Å; V90-I104 PolarHBondContact O-N 2.87Å; V92-I104 HydrophobicContact CG2-CD1 3.65Å; V92-I104 HydrophobicContact CG2-CG1 4.29Å; V102-I104 PolarHBondContact O-N 2.7Å; I104-V404 HydrophobicContact CD1-CG1 4.11Å; I104-I406 HydrophobicContact CD1-CD1 4.37Å; I104-V412 HydrophobicContact CD1-CG1 4.46Å; I104-A433 HydrophobicContact CG2-CB 4.14Å
105	C	80.6	Confident	83.2	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	166.7	-179.2	58.1	0	0	0	0	111.4	V90 C413 L415 F421	V90-C105 PolarHBondContact N-O 3.01Å; C105-C413 VanDerWaalsContact SG-SG 3.66Å; C105-L415 HydrophobicContact CB-CD1 3.62Å; C105-L415 HydrophobicContact CB-CD2 3.88Å; C105-L415 HydrophobicContact CB-CG 4.34Å; C105-F421 HydrophobicContact CB-CB 4.11Å
106	T	85.5	Confident	83.8	Confident	15 Å²	15	38.6 Å²	38.6	9%	0.092	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.6	175.5	-42.4	0	0	0	0	110	L88 D419 D420	L88-T106 CarbonylContact O-C 3.57Å; L88-T106 WeakPolarHBondContact O-CA 3.45Å; T106-D419 WeakPolarHBondContact O-CB 3.15Å; T106-D420 VanDerWaalsContact CB-OD1 3.24Å; T106-D420 WeakPolarHBondContact CB-OD1 3.45Å; T106-D420 PolarHBondContact N-O 2.88Å; T106-D420 PolarHBondContact OG1-OD1 3.47Å
107	L	86.4	Confident	84.6	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.9	172.5	-51.9	173.6	0	0	0	109.4	S87 L88 V90 T111 F113 I127 L415	S87-L107 CarbonylContact C-O 3.59Å; S87-L107 WeakPolarHBondContact CA-O 3.24Å; L88-L107 PolarHBondContact N-O 2.73Å; L88-L107 PolarHBondContact O-N 3.41Å; V90-L107 HydrophobicContact CG2-CD1 3.64Å; V90-L107 HydrophobicContact CG2-CD2 4.02Å; V90-L107 HydrophobicContact CG2-CG 3.59Å; L107-T111 HydrophobicContact CB-CG2 4.25Å; L107-T111 HydrophobicContact CD2-CG2 3.8Å; L107-F113 HydrophobicContact CD1-CB 4.2Å; L107-F113 HydrophobicContact CD1-CD1 3.63Å; L107-F113 HydrophobicContact CD1-CE1 4.11Å; L107-F113 HydrophobicContact CD1-CG 3.9Å; L107-I127 HydrophobicContact CD1-CD1 4.11Å; L107-L415 HydrophobicContact CD2-CD2 3.63Å
108	G	86	Confident	85	Confident	12 Å²	12	31 Å²	31	12%	0.124	17%	0.17	C	C	.	.			trans	-110.1	-172.1	178.9	0	0	0	0	0	114.1	V83 G110 T111 D419	V83-G108 WeakPolarHBondContact CB-O 3.43Å; G108-G110 PolarHBondContact O-N 3.24Å; G108-T111 WeakPolarHBondContact O-CB 3.37Å; G108-T111 PolarHBondContact O-N 3.33Å; G108-T111 VanDerWaalsContact O-N 3.11Å; G108-D419 WeakPolarHBondContact CA-OD1 3.45Å; G108-D419 PolarHBondContact N-OD1 2.81Å
109	I	85.3	Confident	85.4	Confident	64 Å²	64	30.2 Å²	30.2	33%	0.328	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.3	-178.8	-65.6	169.6	0	0	0	111.4	V83 L84 T111 K355	V83-I109 HydrophobicContact CG1-CG1 4.44Å; L84-I109 WeakPolarHBondContact O-CG2 3.45Å; I109-T111 VanDerWaalsContact C-N 3.29Å; I109-K355 HydrophobicContact CD1-CD 4.28Å
110	G	82.9	Confident	85.9	Confident	4 Å²	4	26.3 Å²	26.3	4%	0.041	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-2	-179.6	0	0	0	0	0	114.1	A43 V83 G108	A43-G110 VanDerWaalsContact CB-O 3.24Å; A43-G110 WeakPolarHBondContact CB-O 3.36Å; A43-G110 PolarHBondContact N-O 3.07Å; V83-G110 PolarHBondContact O-N 2.86Å; G108-G110 PolarHBondContact O-N 3.24Å
111	T	86.8	Confident	86.3	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.			trans	-87.2	145.9	169.1	-64.5	0	0	0	0	110.1	V83 L107 G108 I109 H416 D419	V83-T111 PolarHBondContact N-O 3.38Å; L107-T111 HydrophobicContact CB-CG2 4.25Å; L107-T111 HydrophobicContact CD2-CG2 3.8Å; G108-T111 WeakPolarHBondContact O-CB 3.37Å; G108-T111 PolarHBondContact O-N 3.33Å; G108-T111 VanDerWaalsContact O-N 3.11Å; I109-T111 VanDerWaalsContact C-N 3.29Å; T111-H416 PolarHBondContact OG1-ND1 3.41Å; T111-D419 PolarHBondContact OG1-OD2 3.45Å
112	A	89.3	Confident	86.9	Confident	14 Å²	14	26.3 Å²	26.3	12%	0.116	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.5	178.5	0	0	0	0	0	111.6	A43 W80 Y81 A82 L157	A43-A112 HydrophobicContact CB-CB 4.38Å; W80-A112 HydrophobicContact CH2-CB 3.89Å; W80-A112 HydrophobicContact CZ2-CB 3.32Å; Y81-A112 CarbonylContact O-C 3.59Å; Y81-A112 VanDerWaalsContact O-CA 3.24Å; Y81-A112 WeakPolarHBondContact O-CA 3.44Å; Y81-A112 WeakPolarHBondContact O-CB 3.41Å; A82-A112 HydrophobicContact CB-CB 4.13Å; A112-L157 HydrophobicContact CB-CD2 4.47Å
113	F	92.3	Very high	87.5	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	163.5	-172.5	62.9	-88.5	0	0	0	113	L70 F71 W80 Y81 V83 L88 L107 I127	L70-F113 HydrophobicContact CD2-CE2 3.99Å; L70-F113 HydrophobicContact CD2-CZ 3.8Å; F71-F113 HydrophobicContact CE1-CD2 4.38Å; F71-F113 HydrophobicContact CE1-CE2 4.03Å; F71-F113 HydrophobicContact CZ-CD2 4.13Å; F71-F113 HydrophobicContact CZ-CE2 4.13Å; W80-F113 VanDerWaalsContact CD1-O 3.29Å; Y81-F113 VanDerWaalsContact CB-CZ 3.49Å; Y81-F113 HydrophobicContact CD2-CD2 4.19Å; Y81-F113 AromaticContact CD2-CE2 3.66Å; Y81-F113 HydrophobicContact CD2-CE2 3.66Å; Y81-F113 HydrophobicContact CD2-CZ 4.21Å; Y81-F113 AromaticContact CG-CE2 3.85Å; Y81-F113 HydrophobicContact CG-CE2 3.85Å; Y81-F113 AromaticContact CG-CZ 3.91Å; Y81-F113 HydrophobicContact CG-CZ 3.91Å; Y81-F113 PolarHBondContact N-O 3.07Å; Y81-F113 PolarHBondContact O-N 2.98Å; V83-F113 HydrophobicContact CG2-CD1 4.47Å; V83-F113 HydrophobicContact CG2-CE1 3.88Å; L88-F113 HydrophobicContact CD2-CZ 4.12Å; L107-F113 HydrophobicContact CD1-CB 4.2Å; L107-F113 HydrophobicContact CD1-CD1 3.63Å; L107-F113 HydrophobicContact CD1-CE1 4.11Å; L107-F113 HydrophobicContact CD1-CG 3.9Å; F113-I127 HydrophobicContact CD2-CD1 3.42Å; F113-I127 VanDerWaalsContact CD2-CD1 3.42Å; F113-I127 HydrophobicContact CE2-CD1 3.59Å; F113-I127 HydrophobicContact CE2-CG2 4.22Å; F113-I127 HydrophobicContact CG-CD1 4.11Å; F113-I127 HydrophobicContact CZ-CD1 4.39Å; F113-I127 HydrophobicContact CZ-CG2 4.29Å
114	G	90.1	Very high	87.7	Confident	8 Å²	8	24.6 Å²	24.6	8%	0.082	14%	0.142	C	C	.	.			trans	101	15.5	171.2	0	0	0	0	0	114.2	S116 I117 R123	G114-S116 PolarHBondContact O-N 2.75Å; G114-S116 VanDerWaalsContact O-N 3.14Å; G114-I117 WeakPolarHBondContact O-CG2 3.36Å; G114-I117 PolarHBondContact O-N 2.79Å; G114-R123 VanDerWaalsContact C-NH1 3.35Å; G114-R123 VanDerWaalsContact CA-NH1 3.28Å; G114-R123 PolarHBondContact O-NH1 2.99Å
115	E	90.5	Very high	88.1	Confident	16 Å²	16	23.9 Å²	23.9	8%	0.075	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.5	-11.6	179.1	65.8	-90.5	-134.6	0	0	114.2	I117 L118 F143 L158 A159 Y162	E115-I117 PolarHBondContact O-N 3.19Å; E115-L118 HydrophobicContact CB-CD1 4.38Å; E115-L118 WeakPolarHBondContact O-CB 3.03Å; E115-L118 WeakPolarHBondContact O-CG 3.48Å; E115-L118 PolarHBondContact O-N 2.98Å; E115-F143 HydrophobicContact CB-CE1 4.16Å; E115-L158 HydrophobicContact CB-CD2 4.09Å; E115-A159 WeakPolarHBondContact OE1-CB 3.01Å; E115-A159 PolarHBondContact OE1-N 3.48Å; E115-Y162 HydrophobicContact CB-CD2 4.12Å; E115-Y162 HydrophobicContact CG-CD2 3.47Å; E115-Y162 VanDerWaalsContact CG-CD2 3.47Å; E115-Y162 HydrophobicContact CG-CE2 3.9Å; E115-Y162 HydrophobicContact CG-CG 4.33Å
116	S	89.6	Confident	88.7	Confident	7 Å²	7	24.3 Å²	24.3	5%	0.049	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-56.8	-16.2	173.7	79.2	0	0	0	0	114	G114 L118 D119 N120 T121 R123 Y162	G114-S116 PolarHBondContact O-N 2.75Å; G114-S116 VanDerWaalsContact O-N 3.14Å; S116-L118 PolarHBondContact O-N 3.22Å; S116-D119 VanDerWaalsContact O-OD1 3.04Å; S116-N120 PolarHBondContact O-N 2.99Å; S116-T121 PolarHBondContact O-N 3.19Å; S116-T121 PolarHBondContact OG-O 3.14Å; S116-R123 PolarHBondContact OG-NH1 3.12Å; S116-R123 VanDerWaalsContact OG-NH1 3.07Å; S116-Y162 WeakPolarHBondContact CA-OH 3.39Å
117	I	92.8	Very high	89.1	Confident	1 Å²	1	24 Å²	24	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-67.8	-17.1	173.8	68.8	-170.9	0	0	0	113.2	G77 W80 G114 E115 D119 N120 Q140 F143	G77-I117 VanDerWaalsContact O-CG2 3.31Å; G77-I117 WeakPolarHBondContact O-CG2 3.5Å; W80-I117 HydrophobicContact CB-CD1 3.87Å; G114-I117 WeakPolarHBondContact O-CG2 3.36Å; G114-I117 PolarHBondContact O-N 2.79Å; E115-I117 PolarHBondContact O-N 3.19Å; I117-D119 VanDerWaalsContact C-N 3.27Å; I117-D119 PolarHBondContact O-N 2.8Å; I117-N120 PolarHBondContact O-N 3.28Å; I117-Q140 HydrophobicContact CB-CB 4.34Å; I117-Q140 HydrophobicContact CB-CG 3.98Å; I117-Q140 HydrophobicContact CD1-CB 4.04Å; I117-Q140 HydrophobicContact CD1-CG 4.36Å; I117-Q140 HydrophobicContact CG1-CB 4.4Å; I117-Q140 HydrophobicContact CG1-CG 4.19Å; I117-Q140 PolarHBondContact O-NE2 3.21Å; I117-F143 HydrophobicContact CD1-CB 4.39Å; I117-F143 HydrophobicContact CD1-CD1 3.99Å; I117-F143 HydrophobicContact CG1-CD1 4.16Å
118	L	90.6	Very high	89.4	Confident	8 Å²	8	24.7 Å²	24.7	4%	0.042	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-65.6	-30.7	-176.2	-72.1	171.9	0	0	0	112.8	E115 S116 F143 K144 W147 L158 Y162	E115-L118 HydrophobicContact CB-CD1 4.38Å; E115-L118 WeakPolarHBondContact O-CB 3.03Å; E115-L118 WeakPolarHBondContact O-CG 3.48Å; E115-L118 PolarHBondContact O-N 2.98Å; S116-L118 PolarHBondContact O-N 3.22Å; L118-F143 HydrophobicContact CD1-CD1 4.43Å; L118-F143 HydrophobicContact CD1-CE1 3.8Å; L118-F143 HydrophobicContact CD2-CD1 3.66Å; L118-F143 HydrophobicContact CD2-CE1 3.89Å; L118-F143 HydrophobicContact CG-CD1 3.97Å; L118-F143 HydrophobicContact CG-CE1 3.81Å; L118-K144 HydrophobicContact CD2-CB 4.17Å; L118-K144 HydrophobicContact CD2-CG 4.42Å; L118-W147 HydrophobicContact CD1-CB 4.36Å; L118-W147 HydrophobicContact CD1-CD2 3.71Å; L118-W147 HydrophobicContact CD1-CE3 4.17Å; L118-W147 HydrophobicContact CD1-CG 3.8Å; L118-W147 HydrophobicContact CD1-CZ2 4.46Å; L118-W147 HydrophobicContact CD2-CB 3.82Å; L118-W147 HydrophobicContact CD2-CD2 3.98Å; L118-W147 HydrophobicContact CD2-CE3 3.85Å; L118-W147 HydrophobicContact CD2-CG 4Å; L118-W147 HydrophobicContact CG-CD2 4.4Å; L118-W147 HydrophobicContact CG-CE3 4.42Å; L118-L158 HydrophobicContact CD1-CD1 4.2Å; L118-Y162 HydrophobicContact CB-CD1 3.66Å; L118-Y162 HydrophobicContact CB-CE1 3.77Å; L118-Y162 HydrophobicContact CB-CG 4.5Å; L118-Y162 HydrophobicContact CD1-CD1 3.7Å; L118-Y162 HydrophobicContact CD1-CG 3.79Å; L118-Y162 HydrophobicContact CG-CD1 4.31Å
119	D	88.8	Confident	89.7	Confident	77 Å²	77	24.3 Å²	24.3	41%	0.412	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	12.8	176	64	3.5	0	0	0	113.6	S116 I117 T121 Y162	S116-D119 VanDerWaalsContact O-OD1 3.04Å; I117-D119 VanDerWaalsContact C-N 3.27Å; I117-D119 PolarHBondContact O-N 2.8Å; D119-T121 VanDerWaalsContact C-N 3.26Å; D119-T121 PolarHBondContact O-N 3.35Å; D119-T121 VanDerWaalsContact OD1-CB 3.28Å; D119-T121 WeakPolarHBondContact OD1-CB 3.44Å; D119-T121 PolarHBondContact OD1-N 3.18Å; D119-T121 VanDerWaalsContact OD1-N 3.11Å; D119-T121 PolarHBondContact OD1-OG1 2.89Å; D119-T121 PolarHBondContact OD2-OG1 3.2Å; D119-Y162 HydrophobicContact CB-CE1 4.19Å; D119-Y162 PolarHBondContact OD1-OH 3.04Å; D119-Y162 WeakPolarHBondContact OD2-CE1 3.41Å; D119-Y162 PolarHBondContact OD2-OH 3.35Å
120	N	88.8	Confident	89.8	Confident	98 Å²	98	24 Å²	24	52%	0.524	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	26	-176.9	-55.4	-58.2	0	0	0	114.6	S116 I117 Q140	S116-N120 PolarHBondContact O-N 2.99Å; I117-N120 PolarHBondContact O-N 3.28Å; N120-Q140 PolarHBondContact OD1-NE2 2.94Å
121	T	88.6	Confident	89.9	Confident	40 Å²	40	27.2 Å²	27.2	25%	0.245	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-65.2	128.4	173.5	-61.2	0	0	0	0	110.3	S116 D119 H124	S116-T121 PolarHBondContact O-N 3.19Å; S116-T121 PolarHBondContact OG-O 3.14Å; D119-T121 VanDerWaalsContact C-N 3.26Å; D119-T121 PolarHBondContact O-N 3.35Å; D119-T121 VanDerWaalsContact OD1-CB 3.28Å; D119-T121 WeakPolarHBondContact OD1-CB 3.44Å; D119-T121 PolarHBondContact OD1-N 3.18Å; D119-T121 VanDerWaalsContact OD1-N 3.11Å; D119-T121 PolarHBondContact OD1-OG1 2.89Å; D119-T121 PolarHBondContact OD2-OG1 3.2Å; T121-H124 VanDerWaalsContact CG2-NE2 3.34Å; T121-H124 WeakPolarHBondContact CG2-NE2 3.35Å
122	P	90.6	Very high	89.8	Confident	67 Å²	67	31 Å²	31	44%	0.435	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-54	149.7	174.9	-26.2	34.7	0	0	0	112	D75 H124	D75-P122 WeakPolarHBondContact O-CA 3.41Å; P122-H124 PolarHBondContact O-N 3.36Å
123	R	90.3	Very high	89.9	Confident	8 Å²	8	30.4 Å²	30.4	3%	0.03	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-58.6	125.2	-176.7	-66.8	-58.5	-164.5	-162.4	4.5	111.4	F71 R72 Q73 G74 D75 G77 N79 G114 S116 A125	F71-R123 HydrophobicContact CB-CG 4.32Å; F71-R123 HydrophobicContact CD2-CB 3.83Å; F71-R123 HydrophobicContact CD2-CG 3.47Å; F71-R123 VanDerWaalsContact CD2-CG 3.47Å; F71-R123 HydrophobicContact CE2-CB 4.09Å; F71-R123 HydrophobicContact CE2-CG 3.83Å; F71-R123 HydrophobicContact CG-CG 3.93Å; R72-R123 WeakPolarHBondContact O-CB 3.32Å; Q73-R123 CarbonylContact C-O 3.57Å; Q73-R123 WeakPolarHBondContact CA-O 3.48Å; G74-R123 PolarHBondContact N-O 2.83Å; D75-R123 HydrophobicContact CB-CG 4.35Å; D75-R123 WeakPolarHBondContact O-CG 3.33Å; D75-R123 PolarHBondContact O-N 3.42Å; G77-R123 VanDerWaalsContact CA-CZ 3.46Å; G77-R123 VanDerWaalsContact CA-NE 3.35Å; N79-R123 PolarHBondContact O-NH2 2.95Å; G114-R123 VanDerWaalsContact C-NH1 3.35Å; G114-R123 VanDerWaalsContact CA-NH1 3.28Å; G114-R123 PolarHBondContact O-NH1 2.99Å; S116-R123 PolarHBondContact OG-NH1 3.12Å; S116-R123 VanDerWaalsContact OG-NH1 3.07Å; R123-A125 VanDerWaalsContact C-N 3.25Å; R123-A125 PolarHBondContact O-N 3.3Å
124	H	85	Confident	89.9	Confident	47 Å²	47	32.7 Å²	32.7	22%	0.218	18%	0.179	C	C	.	.	S	Bend	trans	-70.2	-22.4	-178.9	-58.8	116.3	0	0	0	113.9	T121 P122 K409 V412	T121-H124 VanDerWaalsContact CG2-NE2 3.34Å; T121-H124 WeakPolarHBondContact CG2-NE2 3.35Å; P122-H124 PolarHBondContact O-N 3.36Å; H124-K409 PolarHBondContact O-NZ 2.89Å; H124-V412 HydrophobicContact CB-CG1 3.98Å; H124-V412 HydrophobicContact CB-CG2 4.44Å
125	A	88.9	Confident	90.1	Very high	6 Å²	6	32.3 Å²	32.3	5%	0.05	18%	0.175	C	C	.	.	S	Bend	trans	-147.4	160.2	-173.3	0	0	0	0	0	111.6	F71 Q73 V90 K91 V92 R123 V412	F71-A125 WeakPolarHBondContact CE2-O 3.03Å; Q73-A125 PolarHBondContact N-O 2.95Å; V90-A125 HydrophobicContact CG1-CB 3.48Å; V90-A125 VanDerWaalsContact CG1-CB 3.48Å; K91-A125 CarbonylContact O-C 3.6Å; K91-A125 WeakPolarHBondContact O-CA 3.43Å; K91-A125 WeakPolarHBondContact O-CB 3.34Å; V92-A125 HydrophobicContact CG2-CB 3.66Å; R123-A125 VanDerWaalsContact C-N 3.25Å; R123-A125 PolarHBondContact O-N 3.3Å; A125-V412 HydrophobicContact CB-CG1 4.29Å
126	T	93.1	Very high	90.3	Very high	11 Å²	11	31.5 Å²	31.5	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.3	166.8	-57	0	0	0	0	108.8	T69 F71 R72 Q73 K91 V128	T69-T126 HydrophobicContact CG2-CG2 3.78Å; F71-T126 WeakPolarHBondContact O-CA 3.34Å; R72-T126 WeakPolarHBondContact CA-OG1 3.35Å; R72-T126 HydrophobicContact CB-CG2 4.49Å; R72-T126 HydrophobicContact CG-CG2 4.14Å; Q73-T126 PolarHBondContact N-OG1 3.35Å; K91-T126 PolarHBondContact N-O 2.98Å; K91-T126 PolarHBondContact O-N 2.91Å; T126-V128 HydrophobicContact CG2-CG2 4Å
127	I	94.1	Very high	90.5	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.046	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.2	178.8	-62.2	-169	0	0	0	110.2	T69 L70 F71 L88 D89 L107 F113	T69-I127 WeakPolarHBondContact CA-O 3.29Å; L70-I127 PolarHBondContact N-O 3.15Å; F71-I127 HydrophobicContact CE1-CD1 4.42Å; F71-I127 HydrophobicContact CE2-CB 4.12Å; F71-I127 HydrophobicContact CE2-CD1 3.83Å; F71-I127 HydrophobicContact CE2-CG1 3.68Å; F71-I127 HydrophobicContact CZ-CB 4.17Å; F71-I127 HydrophobicContact CZ-CD1 3.48Å; F71-I127 VanDerWaalsContact CZ-CD1 3.48Å; F71-I127 HydrophobicContact CZ-CG1 3.82Å; F71-I127 PolarHBondContact O-N 2.83Å; L88-I127 HydrophobicContact CB-CG2 3.86Å; L88-I127 HydrophobicContact CD2-CG2 3.65Å; L88-I127 HydrophobicContact CG-CG2 4.41Å; D89-I127 WeakPolarHBondContact O-CA 3.48Å; L107-I127 HydrophobicContact CD1-CD1 4.11Å; F113-I127 HydrophobicContact CD2-CD1 3.42Å; F113-I127 VanDerWaalsContact CD2-CD1 3.42Å; F113-I127 HydrophobicContact CE2-CD1 3.59Å; F113-I127 HydrophobicContact CE2-CG2 4.22Å; F113-I127 HydrophobicContact CG-CD1 4.11Å; F113-I127 HydrophobicContact CZ-CD1 4.39Å; F113-I127 HydrophobicContact CZ-CG2 4.29Å
128	V	94	Very high	90.7	Very high	16 Å²	16	33.5 Å²	33.5	10%	0.097	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.7	-175.8	-171.5	0	0	0	0	110.2	I68 T69 L88 D89 K91 T126 R130	I68-V128 CarbonylContact O-C 3.54Å; I68-V128 VanDerWaalsContact O-CA 3.31Å; I68-V128 WeakPolarHBondContact O-CA 3.34Å; T69-V128 HydrophobicContact CG2-CG2 4.27Å; L88-V128 CarbonylContact C-O 3.58Å; L88-V128 VanDerWaalsContact CA-O 3.29Å; L88-V128 WeakPolarHBondContact CA-O 3.42Å; D89-V128 PolarHBondContact N-O 2.82Å; D89-V128 PolarHBondContact O-N 3.43Å; K91-V128 HydrophobicContact CD-CG2 4.36Å; T126-V128 HydrophobicContact CG2-CG2 4Å; V128-R130 PolarHBondContact O-N 3.18Å
129	T	91.9	Very high	90.9	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.5	174.2	56.8	0	0	0	0	110.6	L64 E65 G67 I68 L70 L88	L64-T129 HydrophobicContact CB-CG2 3.85Å; L64-T129 HydrophobicContact CD1-CG2 3.97Å; E65-T129 WeakPolarHBondContact O-CB 3.14Å; E65-T129 PolarHBondContact O-OG1 3.35Å; G67-T129 WeakPolarHBondContact CA-O 3.39Å; G67-T129 PolarHBondContact N-O 3.06Å; G67-T129 PolarHBondContact N-OG1 3.11Å; I68-T129 HydrophobicContact CB-CG2 4.43Å; I68-T129 PolarHBondContact N-OG1 2.98Å; I68-T129 PolarHBondContact O-N 3.1Å; I68-T129 PolarHBondContact O-OG1 2.94Å; L70-T129 HydrophobicContact CD1-CG2 3.88Å; L88-T129 HydrophobicContact CD2-CG2 3.96Å; L88-T129 HydrophobicContact CG-CG2 4.29Å
130	R	87.1	Confident	91.2	Very high	59 Å²	59	35.5 Å²	35.5	22%	0.223	19%	0.185	C	C	.	.	S	Bend	trans	-84.5	-28.7	179.6	-171.5	-178.3	179.8	-87.5	-2	111.6	K66 S87 D89 V128 H359	K66-R130 VanDerWaalsContact CD-O 3.24Å; K66-R130 WeakPolarHBondContact CD-O 3.34Å; K66-R130 WeakPolarHBondContact CE-O 3.46Å; K66-R130 VanDerWaalsContact CG-O 3.3Å; K66-R130 WeakPolarHBondContact CG-O 3.44Å; S87-R130 WeakPolarHBondContact O-CB 3.48Å; S87-R130 PolarHBondContact O-N 2.82Å; D89-R130 WeakPolarHBondContact OD1-CD 3.29Å; V128-R130 PolarHBondContact O-N 3.18Å; R130-H359 PolarHBondContact NH2-CD2 2.66Å; R130-H359 PolarHBondContact NH2-CE1 2.81Å; R130-H359 VanDerWaalsContact NH2-CG 3.32Å; R130-H359 PolarHBondContact NH2-ND1 3.43Å; R130-H359 PolarHBondContact NH2-NE2 2.79Å
131	E	84.3	Confident	91.5	Very high	71 Å²	71	39 Å²	39	33%	0.332	20%	0.195	S	C	.	.	S	Bend	trans	-145.7	176.7	175.8	65.2	-165.4	155.3	0	0	110.1	G86 S87 S133	G86-E131 WeakPolarHBondContact CA-OE1 3.3Å; S87-E131 WeakPolarHBondContact CB-OE1 3.39Å; S87-E131 PolarHBondContact N-OE1 2.97Å; S87-E131 VanDerWaalsContact OG-CD 3.3Å; S87-E131 PolarHBondContact OG-OE1 2.73Å; E131-S133 PolarHBondContact O-N 3.06Å; E131-S133 PolarHBondContact O-OG 3.34Å
132	S	86.1	Confident	91.8	Very high	80 Å²	80	39.5 Å²	39.5	56%	0.559	20%	0.196	S	C	*	.	S	Bend	trans	-57.4	123.6	172.8	-60.3	0	0	0	0	109.6	L64	L64-S132 CarbonylContact O-C 3.59Å; L64-S132 VanDerWaalsContact O-CA 3.28Å; L64-S132 WeakPolarHBondContact O-CA 3.41Å
133	S	90.2	Very high	92	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.3	-166.9	-59.3	0	0	0	0	111.2	L64 A85 S87 E131	L64-S133 PolarHBondContact N-O 3.33Å; L64-S133 PolarHBondContact O-N 3.45Å; A85-S133 CarbonylContact O-C 3.58Å; A85-S133 VanDerWaalsContact O-CA 3.31Å; A85-S133 WeakPolarHBondContact O-CA 3.44Å; S87-S133 PolarHBondContact N-OG 3.09Å; S87-S133 PolarHBondContact O-OG 3.16Å; E131-S133 PolarHBondContact O-N 3.06Å; E131-S133 PolarHBondContact O-OG 3.34Å
134	E	92	Very high	92.1	Very high	54 Å²	54	40 Å²	40	25%	0.252	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.5	176.5	-58	179.2	-143.2	0	0	109	Y61 E62 L84 A85	Y61-E134 HydrophobicContact CE2-CB 3.88Å; Y61-E134 HydrophobicContact CE2-CG 4.21Å; Y61-E134 WeakPolarHBondContact CE2-OE2 3.46Å; Y61-E134 VanDerWaalsContact OH-CG 3.25Å; Y61-E134 WeakPolarHBondContact OH-CG 3.5Å; Y61-E134 PolarHBondContact OH-OE2 2.81Å; E62-E134 CarbonylContact O-C 3.57Å; E62-E134 VanDerWaalsContact O-CA 3.29Å; E62-E134 WeakPolarHBondContact O-CA 3.29Å; L84-E134 WeakPolarHBondContact CA-O 3.47Å; L84-E134 HydrophobicContact CB-CB 4.29Å; L84-E134 WeakPolarHBondContact CB-O 3.5Å; L84-E134 PolarHBondContact N-O 3.13Å; A85-E134 HydrophobicContact CB-CB 3.78Å; A85-E134 HydrophobicContact CB-CG 3.85Å; A85-E134 PolarHBondContact N-O 3.33Å; A85-E134 PolarHBondContact O-N 3.46Å
135	L	94	Very high	92.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.3	-175	-48.7	177	0	0	0	111.1	E62 L64 L70 Y81 A82 V83 L88	E62-L135 HydrophobicContact CB-CB 4.19Å; E62-L135 PolarHBondContact N-O 3.19Å; E62-L135 PolarHBondContact O-N 2.93Å; L64-L135 HydrophobicContact CD1-CD1 3.75Å; L70-L135 HydrophobicContact CD2-CD1 3.65Å; L70-L135 HydrophobicContact CG-CD1 4.48Å; Y81-L135 HydrophobicContact CD1-CD1 4.08Å; A82-L135 CarbonylContact O-C 3.5Å; A82-L135 WeakPolarHBondContact O-CA 3.38Å; V83-L135 HydrophobicContact CB-CD2 4.09Å; V83-L135 HydrophobicContact CG1-CD2 4.05Å; V83-L135 HydrophobicContact CG2-CD2 3.85Å; L88-L135 HydrophobicContact CD1-CD2 3.95Å; L88-L135 HydrophobicContact CD2-CD1 4.27Å
136	L	94.6	Very high	92.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.6	160.1	-174.1	71.8	0	0	0	108.5	L19 L38 F44 I55 Y60 Y81 A82 L84	L19-L136 HydrophobicContact CD1-CD1 4.25Å; L19-L136 HydrophobicContact CD2-CD1 4.26Å; L38-L136 HydrophobicContact CD1-CD2 3.93Å; L38-L136 HydrophobicContact CD2-CD2 4.35Å; F44-L136 HydrophobicContact CE2-CD2 3.87Å; F44-L136 HydrophobicContact CZ-CD2 3.7Å; I55-L136 HydrophobicContact CG2-CD2 3.56Å; Y60-L136 CarbonylContact O-C 3.53Å; Y60-L136 WeakPolarHBondContact O-CA 3.43Å; Y81-L136 CarbonylContact C-O 3.57Å; Y81-L136 VanDerWaalsContact CA-O 3.26Å; Y81-L136 WeakPolarHBondContact CA-O 3.44Å; A82-L136 HydrophobicContact CB-CB 4.33Å; A82-L136 PolarHBondContact N-O 2.98Å; A82-L136 PolarHBondContact O-N 3.07Å; L84-L136 HydrophobicContact CD1-CB 4.16Å; L84-L136 HydrophobicContact CD2-CB 4.21Å; L84-L136 HydrophobicContact CG-CB 4.23Å
137	R	95.8	Very high	92.4	Very high	50 Å²	50	41.9 Å²	41.9	19%	0.189	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.4	178.8	-174.1	-170.6	83.5	-177.4	8.4	110.4	Y60 E62 N79 W80 Y81 E139	Y60-R137 PolarHBondContact N-O 3.32Å; Y60-R137 PolarHBondContact O-N 2.85Å; E62-R137 HydrophobicContact CG-CB 4.07Å; E62-R137 WeakPolarHBondContact OE1-CD 3.35Å; E62-R137 IonicContact OE1-CZ 3.64Å; E62-R137 IonicContact OE1-NE 2.66Å; E62-R137 IonicContact OE1-NH1 2.64Å; E62-R137 PolarHBondContact OE1-NH1 2.78Å; N79-R137 HydrophobicContact CB-CG 3.69Å; W80-R137 CarbonylContact O-C 3.53Å; W80-R137 WeakPolarHBondContact O-CA 3.21Å; Y81-R137 HydrophobicContact CD1-CB 4.09Å; Y81-R137 HydrophobicContact CD1-CG 4.01Å; Y81-R137 HydrophobicContact CE1-CB 4.06Å; Y81-R137 HydrophobicContact CE1-CG 3.59Å; R137-E139 IonicContact NH2-OE1 3.65Å
138	I	95.9	Very high	92.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.4	172.6	-53.9	-178.8	0	0	0	108.6	I55 N79 W80 D142 F143 L146	I55-I138 HydrophobicContact CB-CD1 4.42Å; I55-I138 HydrophobicContact CG1-CD1 3.98Å; I55-I138 HydrophobicContact CG2-CD1 3.91Å; N79-I138 CarbonylContact C-O 3.51Å; N79-I138 VanDerWaalsContact CA-O 3.29Å; N79-I138 WeakPolarHBondContact CA-O 3.42Å; W80-I138 HydrophobicContact CE3-CB 4.14Å; W80-I138 HydrophobicContact CE3-CD1 3.61Å; W80-I138 HydrophobicContact CE3-CG1 3.85Å; W80-I138 HydrophobicContact CZ3-CD1 3.62Å; W80-I138 HydrophobicContact CZ3-CG1 4.15Å; W80-I138 PolarHBondContact N-O 2.94Å; W80-I138 PolarHBondContact O-N 3.03Å; I138-D142 HydrophobicContact CG2-CB 4.07Å; I138-F143 HydrophobicContact CB-CB 4.49Å; I138-F143 HydrophobicContact CD1-CD2 4.49Å; I138-F143 HydrophobicContact CG2-CB 3.85Å; I138-F143 HydrophobicContact CG2-CD2 4.43Å; I138-L146 HydrophobicContact CD1-CD1 4.37Å; I138-L146 HydrophobicContact CG2-CD1 4.49Å
139	E	95.7	Very high	92	Very high	71 Å²	71	53.7 Å²	53.7	33%	0.332	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	150.4	179.1	-62.7	-173.9	169.6	0	0	111.5	Y60 R137 K141 D142 F143	Y60-E139 HydrophobicContact CD2-CG 4.43Å; Y60-E139 HydrophobicContact CE2-CG 3.99Å; R137-E139 IonicContact NH2-OE1 3.65Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 3.39Å; E139-D142 PolarHBondContact O-N 3.3Å; E139-D142 VanDerWaalsContact O-N 3.16Å; E139-F143 WeakPolarHBondContact O-CB 3.46Å; E139-F143 PolarHBondContact O-N 3.25Å
140	Q	95.1	Very high	91.7	Very high	56 Å²	56	55 Å²	55	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-51.7	-43.9	-175.5	177.3	-177.1	45.9	0	0	113.8	T78 I117 N120 D142 F143 K144	T78-Q140 VanDerWaalsContact O-CB 3.29Å; T78-Q140 WeakPolarHBondContact O-CB 3.47Å; T78-Q140 PolarHBondContact O-N 2.87Å; I117-Q140 HydrophobicContact CB-CB 4.34Å; I117-Q140 HydrophobicContact CB-CG 3.98Å; I117-Q140 HydrophobicContact CD1-CB 4.04Å; I117-Q140 HydrophobicContact CD1-CG 4.36Å; I117-Q140 HydrophobicContact CG1-CB 4.4Å; I117-Q140 HydrophobicContact CG1-CG 4.19Å; I117-Q140 PolarHBondContact O-NE2 3.21Å; N120-Q140 PolarHBondContact OD1-NE2 2.94Å; Q140-D142 PolarHBondContact O-N 3.24Å; Q140-F143 PolarHBondContact O-N 3.29Å; Q140-K144 VanDerWaalsContact O-CB 3.27Å; Q140-K144 WeakPolarHBondContact O-CB 3.13Å; Q140-K144 PolarHBondContact O-N 3.29Å
141	K	94.8	Very high	91.6	Very high	172 Å²	172	58.4 Å²	58.4	75%	0.748	28%	0.277	S	S	*	.	H	α-helix	trans	-59.9	-48.7	-178.4	-178.7	-172.8	173.2	-169.3	0	111.2	E139 A145	E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 PolarHBondContact O-N 3.39Å; K141-A145 PolarHBondContact O-N 3.03Å; K141-A145 VanDerWaalsContact O-N 3.16Å
142	D	94.4	Very high	91.4	Very high	49 Å²	49	63.9 Å²	63.9	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-70.7	-43.5	-178.3	-63	-26.3	0	0	0	110.3	C58 I138 E139 Q140 K144 A145 L146	C58-D142 HydrophobicContact CB-CB 4.11Å; I138-D142 HydrophobicContact CG2-CB 4.07Å; E139-D142 PolarHBondContact O-N 3.3Å; E139-D142 VanDerWaalsContact O-N 3.16Å; Q140-D142 PolarHBondContact O-N 3.24Å; D142-K144 VanDerWaalsContact C-N 3.31Å; D142-K144 PolarHBondContact O-N 3.13Å; D142-A145 PolarHBondContact O-N 3.46Å; D142-L146 VanDerWaalsContact O-CG 3.28Å; D142-L146 WeakPolarHBondContact O-CG 3.05Å; D142-L146 PolarHBondContact O-N 2.96Å
143	F	94.4	Very high	91.1	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-40.4	178.1	-170.2	-114.1	0	0	0	112.4	W80 E115 I117 L118 I138 E139 Q140 L146 W147 L158	W80-F143 HydrophobicContact CB-CB 4.41Å; W80-F143 HydrophobicContact CB-CD1 3.89Å; W80-F143 HydrophobicContact CB-CD2 3.94Å; W80-F143 HydrophobicContact CB-CE1 4.09Å; W80-F143 HydrophobicContact CB-CE2 4.15Å; W80-F143 HydrophobicContact CB-CG 3.81Å; W80-F143 HydrophobicContact CB-CZ 4.22Å; W80-F143 AromaticContact CD1-CE1 3.7Å; W80-F143 AromaticContact CD1-CE2 3.85Å; W80-F143 AromaticContact CD1-CZ 3.41Å; W80-F143 VanDerWaalsContact CD1-CZ 3.41Å; W80-F143 AromaticContact CD2-CD2 3.95Å; W80-F143 HydrophobicContact CD2-CD2 3.95Å; W80-F143 AromaticContact CD2-CE2 3.52Å; W80-F143 HydrophobicContact CD2-CE2 3.52Å; W80-F143 AromaticContact CD2-CZ 3.92Å; W80-F143 HydrophobicContact CD2-CZ 3.92Å; W80-F143 AromaticContact CE2-CE2 3.72Å; W80-F143 AromaticContact CE2-CZ 3.87Å; W80-F143 HydrophobicContact CE3-CD2 4.21Å; W80-F143 HydrophobicContact CE3-CE2 4.05Å; W80-F143 HydrophobicContact CG-CD1 4.16Å; W80-F143 AromaticContact CG-CD2 3.87Å; W80-F143 HydrophobicContact CG-CD2 3.87Å; W80-F143 AromaticContact CG-CE1 3.89Å; W80-F143 HydrophobicContact CG-CE1 3.89Å; W80-F143 AromaticContact CG-CE2 3.58Å; W80-F143 HydrophobicContact CG-CE2 3.58Å; W80-F143 HydrophobicContact CG-CG 4.15Å; W80-F143 AromaticContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CZ2-CE2 4.34Å; W80-F143 AromaticContact NE1-CE2 3.93Å; W80-F143 AromaticContact NE1-CZ 3.58Å; E115-F143 HydrophobicContact CB-CE1 4.16Å; I117-F143 HydrophobicContact CD1-CB 4.39Å; I117-F143 HydrophobicContact CD1-CD1 3.99Å; I117-F143 HydrophobicContact CG1-CD1 4.16Å; L118-F143 HydrophobicContact CD1-CD1 4.43Å; L118-F143 HydrophobicContact CD1-CE1 3.8Å; L118-F143 HydrophobicContact CD2-CD1 3.66Å; L118-F143 HydrophobicContact CD2-CE1 3.89Å; L118-F143 HydrophobicContact CG-CD1 3.97Å; L118-F143 HydrophobicContact CG-CE1 3.81Å; I138-F143 HydrophobicContact CB-CB 4.49Å; I138-F143 HydrophobicContact CD1-CD2 4.49Å; I138-F143 HydrophobicContact CG2-CB 3.85Å; I138-F143 HydrophobicContact CG2-CD2 4.43Å; E139-F143 WeakPolarHBondContact O-CB 3.46Å; E139-F143 PolarHBondContact O-N 3.25Å; Q140-F143 PolarHBondContact O-N 3.29Å; F143-L146 PolarHBondContact O-N 3.44Å; F143-W147 WeakPolarHBondContact O-CB 3.35Å; F143-W147 PolarHBondContact O-N 3.25Å; F143-L158 HydrophobicContact CZ-CD1 4.27Å; F143-L158 HydrophobicContact CZ-CD2 3.94Å
144	K	92.6	Very high	90.8	Very high	84 Å²	84	62.5 Å²	62.5	37%	0.365	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-44	175.2	-173.5	170.3	-179.8	169.1	0	112	L118 Q140 D142 L146 W147 E148	L118-K144 HydrophobicContact CD2-CB 4.17Å; L118-K144 HydrophobicContact CD2-CG 4.42Å; Q140-K144 VanDerWaalsContact O-CB 3.27Å; Q140-K144 WeakPolarHBondContact O-CB 3.13Å; Q140-K144 PolarHBondContact O-N 3.29Å; D142-K144 VanDerWaalsContact C-N 3.31Å; D142-K144 PolarHBondContact O-N 3.13Å; K144-L146 VanDerWaalsContact C-N 3.34Å; K144-L146 PolarHBondContact O-N 3.45Å; K144-W147 PolarHBondContact O-N 3.27Å; K144-E148 WeakPolarHBondContact CE-OE1 3.43Å; K144-E148 WeakPolarHBondContact O-CG 3.4Å; K144-E148 PolarHBondContact O-N 3.38Å
145	A	92.1	Very high	90.3	Very high	58 Å²	58	61 Å²	61	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-40.1	176	0	0	0	0	0	112.2	K141 D142 K149	K141-A145 PolarHBondContact O-N 3.03Å; K141-A145 VanDerWaalsContact O-N 3.16Å; D142-A145 PolarHBondContact O-N 3.46Å; A145-K149 WeakPolarHBondContact O-CB 3.39Å; A145-K149 PolarHBondContact O-N 2.93Å
146	L	91.3	Very high	89.4	Confident	12 Å²	12	62.8 Å²	62.8	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-45.7	174.5	-66.7	175.3	0	0	0	111.5	L51 Q54 I55 I138 D142 F143 K144 K149 Y150 M154	L51-L146 HydrophobicContact CD1-CB 4.3Å; L51-L146 HydrophobicContact CD1-CD2 4.11Å; Q54-L146 HydrophobicContact CB-CD2 3.4Å; Q54-L146 HydrophobicContact CG-CD2 4.15Å; I55-L146 HydrophobicContact CG1-CD1 3.93Å; I138-L146 HydrophobicContact CD1-CD1 4.37Å; I138-L146 HydrophobicContact CG2-CD1 4.49Å; D142-L146 VanDerWaalsContact O-CG 3.28Å; D142-L146 WeakPolarHBondContact O-CG 3.05Å; D142-L146 PolarHBondContact O-N 2.96Å; F143-L146 PolarHBondContact O-N 3.44Å; K144-L146 VanDerWaalsContact C-N 3.34Å; K144-L146 PolarHBondContact O-N 3.45Å; L146-K149 PolarHBondContact O-N 2.94Å; L146-Y150 HydrophobicContact CD2-CE2 4.49Å; L146-Y150 WeakPolarHBondContact O-CB 3.48Å; L146-Y150 WeakPolarHBondContact O-CD2 3.33Å; L146-Y150 PolarHBondContact O-N 3.35Å; L146-M154 HydrophobicContact CB-CE 3.74Å
147	W	90.4	Very high	88.7	Confident	33 Å²	33	64 Å²	64	13%	0.125	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-43.7	-179.5	179.3	69.8	0	0	0	112.1	L118 F143 K144 K149 Y150 R151 M154 Y162	L118-W147 HydrophobicContact CD1-CB 4.36Å; L118-W147 HydrophobicContact CD1-CD2 3.71Å; L118-W147 HydrophobicContact CD1-CE3 4.17Å; L118-W147 HydrophobicContact CD1-CG 3.8Å; L118-W147 HydrophobicContact CD1-CZ2 4.46Å; L118-W147 HydrophobicContact CD2-CB 3.82Å; L118-W147 HydrophobicContact CD2-CD2 3.98Å; L118-W147 HydrophobicContact CD2-CE3 3.85Å; L118-W147 HydrophobicContact CD2-CG 4Å; L118-W147 HydrophobicContact CG-CD2 4.4Å; L118-W147 HydrophobicContact CG-CE3 4.42Å; F143-W147 WeakPolarHBondContact O-CB 3.35Å; F143-W147 PolarHBondContact O-N 3.25Å; K144-W147 PolarHBondContact O-N 3.27Å; W147-K149 VanDerWaalsContact C-N 3.27Å; W147-K149 PolarHBondContact O-N 3.34Å; W147-Y150 PolarHBondContact O-N 3.29Å; W147-R151 WeakPolarHBondContact O-CA 3.36Å; W147-R151 VanDerWaalsContact O-CB 3.23Å; W147-R151 WeakPolarHBondContact O-CB 3.41Å; W147-R151 PolarHBondContact O-N 3.08Å; W147-M154 HydrophobicContact CB-SD 4.14Å; W147-Y162 PolarHBondContact NE1-O 3.02Å; W147-Y162 VanDerWaalsContact NE1-O 3.08Å
148	E	90.1	Very high	88.2	Confident	130 Å²	130	61.8 Å²	61.8	61%	0.607	31%	0.306	S	S	*	.	H	α-helix	trans	-60.3	-37.8	176.7	-74.5	174.4	-174.3	0	0	112	K144	K144-E148 WeakPolarHBondContact CE-OE1 3.43Å; K144-E148 WeakPolarHBondContact O-CG 3.4Å; K144-E148 PolarHBondContact O-N 3.38Å
149	K	89.1	Confident	87.5	Confident	142 Å²	142	61.9 Å²	61.9	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-81.7	-35	-179	-172.3	174.1	177.1	-170	0	114	A145 L146 W147	A145-K149 WeakPolarHBondContact O-CB 3.39Å; A145-K149 PolarHBondContact O-N 2.93Å; L146-K149 PolarHBondContact O-N 2.94Å; W147-K149 VanDerWaalsContact C-N 3.27Å; W147-K149 PolarHBondContact O-N 3.34Å
150	Y	86.4	Confident	86.6	Confident	32 Å²	32	60.1 Å²	60.1	13%	0.125	30%	0.301	C	S	.	.	H	α-helix	trans	-121.3	23.7	-171.1	-61	-79.7	0	0	0	113.6	N50 L51 Q54 L146 W147 Q152 C153 M154	N50-Y150 HydrophobicContact CB-CE1 4.37Å; L51-Y150 HydrophobicContact CB-CD1 4.06Å; L51-Y150 HydrophobicContact CB-CD2 4.29Å; L51-Y150 HydrophobicContact CB-CE1 4.35Å; L51-Y150 HydrophobicContact CB-CG 4.03Å; L51-Y150 HydrophobicContact CD1-CD2 3.71Å; L51-Y150 HydrophobicContact CD1-CE2 4.34Å; L51-Y150 HydrophobicContact CD1-CG 3.99Å; L51-Y150 HydrophobicContact CD2-CG 4.49Å; L51-Y150 HydrophobicContact CG-CG 4.39Å; Q54-Y150 HydrophobicContact CG-CE2 4.29Å; L146-Y150 HydrophobicContact CD2-CE2 4.49Å; L146-Y150 WeakPolarHBondContact O-CB 3.48Å; L146-Y150 WeakPolarHBondContact O-CD2 3.33Å; L146-Y150 PolarHBondContact O-N 3.35Å; W147-Y150 PolarHBondContact O-N 3.29Å; Y150-Q152 PolarHBondContact O-N 3.4Å; Y150-Q152 VanDerWaalsContact O-N 3.07Å; Y150-C153 WeakPolarHBondContact O-CB 3.39Å; Y150-C153 PolarHBondContact O-N 2.93Å; Y150-M154 PolarHBondContact O-N 2.82Å
151	R	83.6	Confident	86	Confident	130 Å²	130	61.8 Å²	61.8	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-46.9	-44	-175	-167.6	170.5	-176.5	169.7	2	113.9	W147 C153 M154 A155	W147-R151 WeakPolarHBondContact O-CA 3.36Å; W147-R151 VanDerWaalsContact O-CB 3.23Å; W147-R151 WeakPolarHBondContact O-CB 3.41Å; W147-R151 PolarHBondContact O-N 3.08Å; R151-C153 VanDerWaalsContact C-N 3.33Å; R151-C153 PolarHBondContact O-N 2.92Å; R151-M154 PolarHBondContact O-N 2.84Å; R151-A155 PolarHBondContact O-N 3.04Å
152	Q	81.9	Confident	85.4	Confident	186 Å²	186	54.3 Å²	54.3	87%	0.869	28%	0.284	S	S	*	.	H	α-helix	trans	-62.7	-38.3	-179.7	-67.2	178.8	-9.7	0	0	112.4	Y150	Y150-Q152 PolarHBondContact O-N 3.4Å; Y150-Q152 VanDerWaalsContact O-N 3.07Å
153	C	79.2	Confident	84.8	Confident	49 Å²	49	52.8 Å²	52.8	33%	0.331	28%	0.28	S	S	.	.	H	α-helix	trans	-73.9	-27.3	178.2	-55.5	0	0	0	0	112.6	L51 Y150 R151	L51-C153 HydrophobicContact CD2-CB 4.24Å; Y150-C153 WeakPolarHBondContact O-CB 3.39Å; Y150-C153 PolarHBondContact O-N 2.93Å; R151-C153 VanDerWaalsContact C-N 3.33Å; R151-C153 PolarHBondContact O-N 2.92Å
154	M	83.3	Confident	84.2	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-90.5	-15.9	-179.3	-65.3	-172.3	175.6	0	0	113.8	F47 L51 L146 W147 Y150 R151 G156 L157 L158	F47-M154 HydrophobicContact CE1-CG 4.38Å; F47-M154 HydrophobicContact CZ-CG 4.18Å; L51-M154 HydrophobicContact CD1-CE 3.32Å; L51-M154 HydrophobicContact CD2-CE 3.68Å; L51-M154 HydrophobicContact CD2-CG 3.88Å; L51-M154 HydrophobicContact CG-CE 4.1Å; L146-M154 HydrophobicContact CB-CE 3.74Å; W147-M154 HydrophobicContact CB-SD 4.14Å; Y150-M154 PolarHBondContact O-N 2.82Å; R151-M154 PolarHBondContact O-N 2.84Å; M154-G156 PolarHBondContact O-N 3.06Å; M154-G156 VanDerWaalsContact O-N 3.15Å; M154-L157 PolarHBondContact O-N 2.6Å; M154-L158 HydrophobicContact CB-CD1 3.98Å; M154-L158 HydrophobicContact CB-CG 4.2Å; M154-L158 PolarHBondContact O-N 2.99Å; M154-L158 VanDerWaalsContact O-N 3.1Å; M154-L158 HydrophobicContact SD-CD1 4.36Å
155	A	82.6	Confident	83.3	Confident	22 Å²	22	56.4 Å²	56.4	18%	0.182	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-36.2	-171.2	0	0	0	0	0	113.4	R151 G163 V164	R151-A155 PolarHBondContact O-N 3.04Å; A155-G163 CarbonylContact O-C 3.53Å; A155-G163 VanDerWaalsContact O-CA 3.29Å; A155-G163 WeakPolarHBondContact O-CA 3.33Å; A155-V164 HydrophobicContact CB-CG1 4.42Å; A155-V164 WeakPolarHBondContact O-CG2 3.42Å; A155-V164 PolarHBondContact O-N 2.91Å
156	G	75.3	Confident	82.5	Confident	38 Å²	38	56.5 Å²	56.5	39%	0.392	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.9	177.5	0	0	0	0	0	114.5	M154 R439	M154-G156 PolarHBondContact O-N 3.06Å; M154-G156 VanDerWaalsContact O-N 3.15Å; G156-R439 PolarHBondContact O-NE 2.94Å; G156-R439 PolarHBondContact O-NH2 3.21Å
157	L	79.7	Confident	81.6	Confident	26 Å²	26	58.7 Å²	58.7	14%	0.136	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-43	-179.6	-176.2	69.9	0	0	0	112.4	A43 F47 W80 A112 M154	A43-L157 HydrophobicContact CB-CD1 4.22Å; A43-L157 HydrophobicContact CB-CD2 4.5Å; F47-L157 HydrophobicContact CE1-CB 4.22Å; F47-L157 HydrophobicContact CE1-CD2 3.7Å; F47-L157 HydrophobicContact CE2-CD2 4.4Å; F47-L157 HydrophobicContact CZ-CD2 3.37Å; W80-L157 HydrophobicContact CZ2-CD2 4.19Å; A112-L157 HydrophobicContact CB-CD2 4.47Å; M154-L157 PolarHBondContact O-N 2.6Å
158	L	84.1	Confident	80.2	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.01	31%	0.312	C	S	.	.	S	Bend	trans	-80.5	148.2	-171.4	-54.9	-178.3	0	0	0	112.6	E115 L118 F143 M154 G163 R439	E115-L158 HydrophobicContact CB-CD2 4.09Å; L118-L158 HydrophobicContact CD1-CD1 4.2Å; F143-L158 HydrophobicContact CZ-CD1 4.27Å; F143-L158 HydrophobicContact CZ-CD2 3.94Å; M154-L158 HydrophobicContact CB-CD1 3.98Å; M154-L158 HydrophobicContact CB-CG 4.2Å; M154-L158 PolarHBondContact O-N 2.99Å; M154-L158 VanDerWaalsContact O-N 3.1Å; M154-L158 HydrophobicContact SD-CD1 4.36Å; L158-G163 WeakPolarHBondContact O-CA 3.22Å; L158-R439 PolarHBondContact O-NH2 3.48Å
159	A	81.4	Confident	78.6	Confident	3 Å²	3	56.7 Å²	56.7	3%	0.025	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-68.8	152.9	171.4	0	0	0	0	0	111.8	E115 Y162 G163 V411	E115-A159 WeakPolarHBondContact OE1-CB 3.01Å; E115-A159 PolarHBondContact OE1-N 3.48Å; A159-Y162 WeakPolarHBondContact O-CB 3.46Å; A159-Y162 WeakPolarHBondContact O-CD2 3.44Å; A159-Y162 PolarHBondContact O-N 2.89Å; A159-G163 PolarHBondContact O-N 3.06Å; A159-V411 HydrophobicContact CB-CB 4.31Å; A159-V411 HydrophobicContact CB-CG1 3.79Å
160	P	77.4	Confident	76.9	Confident	33 Å²	33	55 Å²	55	21%	0.214	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	144.7	167.4	-22.9	33.8	0	0	0	111.7	M165 V411	P160-M165 VanDerWaalsContact CG-CA 3.45Å; P160-M165 HydrophobicContact CG-CB 3.73Å; P160-M165 HydrophobicContact CG-CG 4.21Å; P160-V411 HydrophobicContact CG-CG2 4.24Å
161	P	81.6	Confident	75	Confident	91 Å²	91	61.4 Å²	61.4	59%	0.591	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.4	3.4	5.2	35	-37.1	0	0	0	114.8
162	Y	83.1	Confident	72.7	Confident	16 Å²	16	62.7 Å²	62.7	6%	0.063	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-29.9	-172.5	-41.6	-70.5	0	0	0	113.1	E115 S116 L118 D119 W147 A159	E115-Y162 HydrophobicContact CB-CD2 4.12Å; E115-Y162 HydrophobicContact CG-CD2 3.47Å; E115-Y162 VanDerWaalsContact CG-CD2 3.47Å; E115-Y162 HydrophobicContact CG-CE2 3.9Å; E115-Y162 HydrophobicContact CG-CG 4.33Å; S116-Y162 WeakPolarHBondContact CA-OH 3.39Å; L118-Y162 HydrophobicContact CB-CD1 3.66Å; L118-Y162 HydrophobicContact CB-CE1 3.77Å; L118-Y162 HydrophobicContact CB-CG 4.5Å; L118-Y162 HydrophobicContact CD1-CD1 3.7Å; L118-Y162 HydrophobicContact CD1-CG 3.79Å; L118-Y162 HydrophobicContact CG-CD1 4.31Å; D119-Y162 HydrophobicContact CB-CE1 4.19Å; D119-Y162 PolarHBondContact OD1-OH 3.04Å; D119-Y162 WeakPolarHBondContact OD2-CE1 3.41Å; D119-Y162 PolarHBondContact OD2-OH 3.35Å; W147-Y162 PolarHBondContact NE1-O 3.02Å; W147-Y162 VanDerWaalsContact NE1-O 3.08Å; A159-Y162 WeakPolarHBondContact O-CB 3.46Å; A159-Y162 WeakPolarHBondContact O-CD2 3.44Å; A159-Y162 PolarHBondContact O-N 2.89Å
163	G	81.3	Confident	70.4	Confident	17 Å²	17	65.2 Å²	65.2	18%	0.175	37%	0.369	C	S	.	.	S	Bend	trans	-125.4	-160.5	172.4	0	0	0	0	0	113.1	A155 L158 A159	A155-G163 CarbonylContact O-C 3.53Å; A155-G163 VanDerWaalsContact O-CA 3.29Å; A155-G163 WeakPolarHBondContact O-CA 3.33Å; L158-G163 WeakPolarHBondContact O-CA 3.22Å; A159-G163 PolarHBondContact O-N 3.06Å
164	V	82.9	Confident	68	Low	61 Å²	61	70.2 Å²	70.2	37%	0.37	39%	0.391	S	S	.	.			trans	-88.7	151.3	177.1	-65.1	0	0	0	0	111.7	A155 E166 T167 R439	A155-V164 HydrophobicContact CB-CG1 4.42Å; A155-V164 WeakPolarHBondContact O-CG2 3.42Å; A155-V164 PolarHBondContact O-N 2.91Å; V164-E166 WeakPolarHBondContact CG2-O 3.48Å; V164-T167 HydrophobicContact CG2-CG2 3.55Å; V164-R439 PolarHBondContact O-NH1 3.06Å; V164-R439 PolarHBondContact O-NH2 3.33Å
165	M	71.9	Confident	65.7	Low	101 Å²	101	76 Å²	76	50%	0.498	43%	0.428	S	S	.	.	S	Bend	trans	-74.4	-38.4	177.3	-173.2	163.9	173.6	0	0	111.5	P160 N403	P160-M165 VanDerWaalsContact CG-CA 3.45Å; P160-M165 HydrophobicContact CG-CB 3.73Å; P160-M165 HydrophobicContact CG-CG 4.21Å; M165-N403 PolarHBondContact O-ND2 2.87Å
166	E	75.9	Confident	63.2	Low	60 Å²	60	82.6 Å²	82.6	28%	0.28	46%	0.461	S	S	.	.			trans	-133.2	145	178.8	-67.3	173.4	-167.5	0	0	109.6	V164 N170 G381 R439	V164-E166 WeakPolarHBondContact CG2-O 3.48Å; E166-N170 PolarHBondContact OE2-ND2 2.95Å; E166-G381 WeakPolarHBondContact OE1-CA 3.38Å; E166-R439 WeakPolarHBondContact CA-O 3.37Å
167	T	72.6	Confident	61.2	Low	59 Å²	59	90.1 Å²	90.1	36%	0.362	48%	0.482	S	S	.	.			trans	-111.1	5.2	173.8	53.3	0	0	0	0	112.9	V164 R439	V164-T167 HydrophobicContact CG2-CG2 3.55Å; T167-R439 PolarHBondContact N-O 3.13Å
168	G	60.9	Low	59	Low	20 Å²	20	97.3 Å²	97.3	21%	0.206	52%	0.515	C	S	.	.	S	Bend	trans	-81.9	179.6	179.1	0	0	0	0	0	114.7	N170 D441	G168-N170 PolarHBondContact O-N 3.11Å; G168-D441 WeakPolarHBondContact CA-OD2 3.4Å
169	S	57.6	Low	56.2	Low	100 Å²	100	105 Å²	105	70%	0.699	56%	0.557	S	S	*	*	S	Bend	trans	-65.5	17.1	-170	-71.2	0	0	0	0	118.2	N171 D441	S169-N171 PolarHBondContact O-N 3.26Å; S169-N171 VanDerWaalsContact O-N 3.15Å; S169-D441 PolarHBondContact N-OD2 3.37Å
170	N	52.8	Low	53.5	Low	107 Å²	107	111.1 Å²	111.1	57%	0.572	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-74.9	0.5	-173.5	-81.8	-20.8	0	0	0	115.7	E166 G168 D172	E166-N170 PolarHBondContact OE2-ND2 2.95Å; G168-N170 PolarHBondContact O-N 3.11Å; N170-D172 VanDerWaalsContact C-N 3.34Å; N170-D172 PolarHBondContact O-N 3.46Å
171	N	46	Very low	51.3	Low	167 Å²	167	115.2 Å²	115.2	89%	0.893	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-81.2	-0.8	-177.1	-113.3	1.2	0	0	0	115.7	S169	S169-N171 PolarHBondContact O-N 3.26Å; S169-N171 VanDerWaalsContact O-N 3.15Å
172	D	35.8	Very low	48.7	Very low	156 Å²	156	118.6 Å²	118.6	83%	0.834	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-112.5	16.2	-171.9	-88.5	-20.2	0	0	0	116.5	N170	N170-D172 VanDerWaalsContact C-N 3.34Å; N170-D172 PolarHBondContact O-N 3.46Å
173	R	32.3	Very low	46.2	Very low	239 Å²	239	125.8 Å²	125.8	90%	0.902	67%	0.67	S	S	*	*			trans	-140.2	123.1	173.5	-69.1	-171.3	-178.8	-175.1	-1.2	114.8
174	I	29.7	Very low	43.5	Very low	155 Å²	155	132.7 Å²	132.7	80%	0.795	70%	0.698	S	S	*	*			trans	-55.7	142.8	163.2	-62.7	169.6	0	0	0	108.9	D176	I174-D176 PolarHBondContact O-N 3.36Å; I174-D176 VanDerWaalsContact O-N 3.14Å
175	P	35.6	Very low	41	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	71%	0.713	S	S	*	*			trans	-79.3	102.2	-175.3	31.2	-31.8	0	0	0	110.5
176	D	28.4	Very low	39.4	Very low	161 Å²	161	139 Å²	139	86%	0.861	73%	0.731	S	S	*	*			trans	-78.2	128.1	158.7	-87.8	-30.2	0	0	0	109.4	I174	I174-D176 PolarHBondContact O-N 3.36Å; I174-D176 VanDerWaalsContact O-N 3.14Å
177	K	34.1	Very low	37.1	Very low	196 Å²	196	141.7 Å²	141.7	85%	0.852	75%	0.752	S	S	*	*			trans	-63.7	151.8	177.6	-79.3	177.1	171.8	177.6	0	111.1
178	E	32.8	Very low	35.3	Very low	177 Å²	177	144.2 Å²	144.2	83%	0.827	77%	0.769	S	S	*	*			trans	75.2	92	169.4	-62.7	179.6	177.5	0	0	115.6
179	N	26.1	Very low	34.4	Very low	164 Å²	164	148.7 Å²	148.7	88%	0.877	79%	0.787	S	S	*	*			trans	-161.6	108.7	133.9	-93.1	-31.9	0	0	0	109.7
180	T	25.6	Very low	34	Very low	132 Å²	132	152.4 Å²	152.4	81%	0.81	79%	0.786	S	S	*	*			trans	-56.9	130.7	164.7	-26.3	0	0	0	0	108.8	L182	T180-L182 PolarHBondContact O-N 2.96Å; T180-L182 VanDerWaalsContact O-N 3.11Å
181	P	30.7	Very low	33.9	Very low	119 Å²	119	150 Å²	150	77%	0.773	78%	0.776	S	S	*	*			trans	-75.3	107.3	174.5	28.5	-28.8	0	0	0	108.7	I183	P181-I183 PolarHBondContact O-N 3.2Å
182	L	26	Very low	34.2	Very low	161 Å²	161	142.1 Å²	142.1	84%	0.843	74%	0.735	S	S	*	*			trans	-64.9	121.2	160	-78.7	160.4	0	0	0	107.6	T180 E184	T180-L182 PolarHBondContact O-N 2.96Å; T180-L182 VanDerWaalsContact O-N 3.11Å; L182-E184 PolarHBondContact O-N 3.45Å; L182-E184 VanDerWaalsContact O-N 3.07Å
183	I	31.9	Very low	35.4	Very low	167 Å²	167	138.2 Å²	138.2	86%	0.856	71%	0.713	S	S	*	*			trans	-63.3	102.6	166.3	-62.9	167.1	0	0	0	106.5	P181	P181-I183 PolarHBondContact O-N 3.2Å
184	E	23.4	Very low	36.8	Very low	163 Å²	163	129.9 Å²	129.9	76%	0.762	69%	0.689	S	S	*	*			trans	-86.5	128.5	164.5	-82.2	-169.8	167	0	0	109.4	L182	L182-E184 PolarHBondContact O-N 3.45Å; L182-E184 VanDerWaalsContact O-N 3.07Å
185	P	31.4	Very low	38.4	Very low	106 Å²	106	123.5 Å²	123.5	69%	0.688	66%	0.657	S	S	*	*			trans	-74.8	134.3	174.8	13.4	-2.1	0	0	0	110.6	V187	P185-V187 PolarHBondContact O-N 3.39Å
186	H	37.2	Very low	39.6	Very low	188 Å²	188	118.7 Å²	118.7	87%	0.87	63%	0.625	S	S	*	*			trans	31.2	83	155.2	-69.3	-67.8	0	0	0	117.1
187	V	28.2	Very low	41.1	Very low	117 Å²	117	119.3 Å²	119.3	71%	0.709	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-80.9	122.1	155.6	-177.9	0	0	0	0	107.8	P185 L189	P185-V187 PolarHBondContact O-N 3.39Å; V187-L189 PolarHBondContact O-N 3.04Å
188	P	33.8	Very low	42.6	Very low	112 Å²	112	115.4 Å²	115.4	73%	0.727	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-60.5	121.5	174	-16.7	28.5	0	0	0	109.3	R190	P188-R190 PolarHBondContact O-N 2.83Å
189	L	43.2	Very low	44.6	Very low	113 Å²	113	109 Å²	109	59%	0.592	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-54.8	122.3	169.6	-79.8	152.5	0	0	0	108.4	V187	V187-L189 PolarHBondContact O-N 3.04Å
190	R	48.4	Very low	47.2	Very low	179 Å²	179	103.6 Å²	103.6	68%	0.675	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-60.9	142.3	172.7	-69.9	-175.1	-178.8	-177.1	0.2	108.9	P188 A192 N193	P188-R190 PolarHBondContact O-N 2.83Å; R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.49Å; R190-N193 WeakPolarHBondContact O-CB 3.4Å; R190-N193 PolarHBondContact O-N 2.8Å; R190-N193 VanDerWaalsContact O-N 3.12Å
191	P	51.5	Low	50.1	Low	56 Å²	56	105.6 Å²	105.6	36%	0.364	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.7	-40.2	-172.6	-23.5	32.7	0	0	0	113.1	N193 E277 H279 R333	P191-N193 VanDerWaalsContact C-N 3.33Å; P191-N193 PolarHBondContact O-N 3.5Å; P191-E277 VanDerWaalsContact CB-O 3.32Å; P191-E277 WeakPolarHBondContact CB-O 3.17Å; P191-E277 VanDerWaalsContact CG-O 3.28Å; P191-E277 WeakPolarHBondContact CG-O 3.13Å; P191-H279 PolarHBondContact O-CE1 3.47Å; P191-H279 PolarHBondContact O-ND1 3.38Å; P191-R333 PolarHBondContact O-NH1 2.75Å
192	A	52.8	Low	52.8	Low	2 Å²	2	107.2 Å²	107.2	2%	0.017	56%	0.556	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	4.1	-177.8	0	0	0	0	0	115.5	R190 T194 Q276 H278	R190-A192 VanDerWaalsContact C-N 3.31Å; R190-A192 PolarHBondContact O-N 3.49Å; A192-T194 PolarHBondContact O-N 3.38Å; A192-Q276 HydrophobicContact CB-CB 4.28Å; A192-Q276 WeakPolarHBondContact CB-O 3.28Å; A192-H278 WeakPolarHBondContact CB-O 3.46Å
193	N	60.7	Low	55.9	Low	73 Å²	73	100.1 Å²	100.1	39%	0.39	52%	0.519	S	S	.	.			trans	-61.3	127.1	179.3	-78.4	-2	0	0	0	110.4	R190 P191	R190-N193 WeakPolarHBondContact O-CB 3.4Å; R190-N193 PolarHBondContact O-N 2.8Å; R190-N193 VanDerWaalsContact O-N 3.12Å; P191-N193 VanDerWaalsContact C-N 3.33Å; P191-N193 PolarHBondContact O-N 3.5Å
194	T	61.2	Low	58.8	Low	65 Å²	65	95.5 Å²	95.5	40%	0.399	50%	0.496	S	S	.	.			trans	-61.6	143.3	174.5	59.5	0	0	0	0	109.8	A192 T196 E267	A192-T194 PolarHBondContact O-N 3.38Å; T194-T196 VanDerWaalsContact C-N 3.32Å; T194-T196 WeakPolarHBondContact CB-O 3.46Å; T194-T196 PolarHBondContact OG1-O 3.25Å; T194-E267 WeakPolarHBondContact CA-O 3.05Å
195	I	63	Low	62.2	Low	21 Å²	21	91.3 Å²	91.3	11%	0.108	47%	0.473	C	S	.	.	S	Bend	trans	-80.3	-25.3	178.4	-59.4	178.5	0	0	0	110.3	E267 H444	I195-E267 HydrophobicContact CD1-CB 3.88Å; I195-E267 HydrophobicContact CD1-CG 4.24Å; I195-E267 WeakPolarHBondContact CD1-OE2 3.33Å; I195-E267 HydrophobicContact CG1-CB 4.13Å; I195-E267 PolarHBondContact N-O 3.16Å; I195-H444 WeakPolarHBondContact CG2-CE1 3.31Å; I195-H444 WeakPolarHBondContact CG2-NE2 3.48Å
196	T	61.9	Low	65.2	Low	21 Å²	21	86.3 Å²	86.3	13%	0.129	44%	0.441	C	S	.	.			trans	-114.5	146.2	-179.5	50.4	0	0	0	0	109.8	T194 D268	T194-T196 VanDerWaalsContact C-N 3.32Å; T194-T196 WeakPolarHBondContact CB-O 3.46Å; T194-T196 PolarHBondContact OG1-O 3.25Å; T196-D268 PolarHBondContact OG1-OD1 2.71Å
197	K	58.9	Low	67.9	Low	173 Å²	173	77.5 Å²	77.5	75%	0.752	40%	0.401	S	S	*	.	S	Bend	trans	-79.8	-25.3	174	-74.1	-175.7	178.8	176.3	0	112.9
198	V	65.4	Low	71.1	Confident	115 Å²	115	75.1 Å²	75.1	70%	0.697	38%	0.381	S	S	*	.	S	Bend	trans	-132.5	130.9	-179.9	-178	0	0	0	0	107.4
199	P	74.9	Confident	74	Confident	41 Å²	41	70.1 Å²	70.1	27%	0.266	35%	0.348	S	S	.	.			trans	-60.8	142.3	176.1	-19.4	29.7	0	0	0	111.6	D268 V270	P199-D268 VanDerWaalsContact CA-OD2 3.29Å; P199-D268 WeakPolarHBondContact CA-OD2 3.38Å; P199-D268 WeakPolarHBondContact CB-O 3.33Å; P199-D268 WeakPolarHBondContact CG-O 3.38Å; P199-V270 HydrophobicContact CB-CG2 3.78Å; P199-V270 HydrophobicContact CG-CG2 4.38Å
200	S	80.4	Confident	76.5	Confident	52 Å²	52	64.7 Å²	64.7	36%	0.364	32%	0.32	S	S	.	.			trans	-63.5	136.6	170.1	174.5	0	0	0	0	110.5	K202 I203 L204 D268	S200-K202 PolarHBondContact O-N 3.35Å; S200-I203 PolarHBondContact O-N 3.37Å; S200-L204 WeakPolarHBondContact O-CB 3.12Å; S200-L204 PolarHBondContact O-N 3.09Å; S200-D268 PolarHBondContact N-OD2 2.61Å
201	E	86.3	Confident	78.7	Confident	173 Å²	173	56.7 Å²	56.7	81%	0.808	29%	0.289	S	S	*	.	H	α-helix	trans	-54.2	-39.4	179	-172.6	178.7	-174	0	0	112.3	R205	E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.03Å
202	K	88.4	Confident	80.8	Confident	154 Å²	154	54.3 Å²	54.3	67%	0.67	27%	0.274	S	S	*	.	H	α-helix	trans	-65.6	-42.4	177.7	-65.8	-176.8	-179.6	178.3	0	112.4	S200 A206	S200-K202 PolarHBondContact O-N 3.35Å; K202-A206 WeakPolarHBondContact O-CB 3.37Å; K202-A206 PolarHBondContact O-N 3.4Å
203	I	91.4	Very high	82.8	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-75.4	-36.5	-178.4	-57.9	175.5	0	0	0	110	S200 A206 G207 V264 L265 D268 V270 M322	S200-I203 PolarHBondContact O-N 3.37Å; I203-A206 WeakPolarHBondContact O-CB 3.5Å; I203-A206 PolarHBondContact O-N 2.98Å; I203-G207 PolarHBondContact O-N 3.28Å; I203-V264 HydrophobicContact CD1-CG1 3.98Å; I203-V264 HydrophobicContact CG1-CG1 4.35Å; I203-V264 HydrophobicContact CG2-CG1 4.35Å; I203-L265 HydrophobicContact CG2-CG 4.44Å; I203-D268 WeakPolarHBondContact CB-OD2 3.2Å; I203-D268 HydrophobicContact CD1-CB 3.93Å; I203-D268 WeakPolarHBondContact CD1-OD2 3.43Å; I203-D268 HydrophobicContact CG2-CB 4.01Å; I203-V270 HydrophobicContact CG2-CB 4.5Å; I203-V270 HydrophobicContact CG2-CG2 3.96Å; I203-M322 HydrophobicContact CD1-CE 3.83Å; I203-M322 HydrophobicContact CG1-CE 4.28Å
204	L	92.4	Very high	84.4	Confident	70 Å²	70	50.8 Å²	50.8	37%	0.366	26%	0.255	S	S	.	.	H	α-helix	trans	-59.3	-47.1	172.6	-175.1	65.6	0	0	0	110.9	S200 A206 G207 K208 V270 L290	S200-L204 WeakPolarHBondContact O-CB 3.12Å; S200-L204 PolarHBondContact O-N 3.09Å; L204-A206 PolarHBondContact O-N 2.9Å; L204-G207 PolarHBondContact O-N 3.43Å; L204-K208 PolarHBondContact O-N 3.43Å; L204-V270 HydrophobicContact CB-CG2 4.48Å; L204-V270 HydrophobicContact CD1-CG1 4.5Å; L204-V270 HydrophobicContact CD1-CG2 4.28Å; L204-L290 HydrophobicContact CD1-CD2 3.8Å
205	R	93.8	Very high	86	Confident	75 Å²	75	49.2 Å²	49.2	28%	0.283	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-44.2	174.3	179.8	57	178	-156.9	-7.7	112	E201 G207 K208 I209 E307 E311	E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.03Å; R205-G207 VanDerWaalsContact C-N 3.34Å; R205-G207 PolarHBondContact O-N 3.26Å; R205-K208 PolarHBondContact O-N 3.33Å; R205-I209 HydrophobicContact CG-CD1 3.91Å; R205-I209 WeakPolarHBondContact O-CD1 3.47Å; R205-I209 VanDerWaalsContact O-CG1 3.32Å; R205-I209 WeakPolarHBondContact O-CG1 3.48Å; R205-I209 PolarHBondContact O-N 3.19Å; R205-E307 IonicContact CZ-OE1 3.73Å; R205-E307 IonicContact CZ-OE2 3.43Å; R205-E307 IonicContact NH1-OE1 2.68Å; R205-E307 PolarHBondContact NH1-OE1 2.62Å; R205-E307 IonicContact NH1-OE2 3.9Å; R205-E307 IonicContact NH2-OE1 3.15Å; R205-E307 PolarHBondContact NH2-OE1 2.81Å; R205-E307 IonicContact NH2-OE2 3.49Å; R205-E311 IonicContact CZ-OE1 2.74Å; R205-E311 IonicContact CZ-OE2 2.85Å; R205-E311 IonicContact NE-OE2 2.73Å; R205-E311 PolarHBondContact NE-OE2 3.42Å; R205-E311 IonicContact NH2-OE1 3.68Å; R205-E311 PolarHBondContact NH2-OE1 3.26Å; R205-E311 IonicContact NH2-OE2 3.99Å; R205-E311 PolarHBondContact NH2-OE2 3.38Å
206	A	94.3	Very high	87.4	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-57.8	-44.6	175.4	0	0	0	0	0	112.2	K202 I203 L204 K208 I209 L210 T315	K202-A206 WeakPolarHBondContact O-CB 3.37Å; K202-A206 PolarHBondContact O-N 3.4Å; I203-A206 WeakPolarHBondContact O-CB 3.5Å; I203-A206 PolarHBondContact O-N 2.98Å; L204-A206 PolarHBondContact O-N 2.9Å; A206-K208 PolarHBondContact O-N 2.78Å; A206-I209 PolarHBondContact O-N 2.94Å; A206-L210 VanDerWaalsContact O-CG 3.31Å; A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 2.87Å; A206-T315 HydrophobicContact CB-CG2 3.6Å
207	G	95.1	Very high	88.8	Confident	3 Å²	3	54.1 Å²	54.1	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-43.7	175.2	0	0	0	0	0	113.1	I203 L204 R205 L210 R211	I203-G207 PolarHBondContact O-N 3.28Å; L204-G207 PolarHBondContact O-N 3.43Å; R205-G207 VanDerWaalsContact C-N 3.34Å; R205-G207 PolarHBondContact O-N 3.26Å; G207-L210 PolarHBondContact O-N 3.19Å; G207-R211 WeakPolarHBondContact O-CB 3.45Å; G207-R211 PolarHBondContact O-N 2.82Å
208	K	94.3	Very high	90.5	Very high	68 Å²	68	46.3 Å²	46.3	30%	0.296	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-46.8	176.5	-172.1	177.7	-179.6	-175.5	0	112	L204 R205 A206 R211 N212 E304	L204-K208 PolarHBondContact O-N 3.43Å; R205-K208 PolarHBondContact O-N 3.33Å; A206-K208 PolarHBondContact O-N 2.78Å; K208-R211 PolarHBondContact O-N 3.31Å; K208-N212 WeakPolarHBondContact O-CB 3.39Å; K208-N212 VanDerWaalsContact O-CG 3.23Å; K208-N212 PolarHBondContact O-N 2.96Å; K208-N212 PolarHBondContact O-OD1 3.35Å; K208-E304 VanDerWaalsContact CE-OE1 3.26Å; K208-E304 WeakPolarHBondContact CE-OE1 3.39Å; K208-E304 IonicContact NZ-OE1 2.99Å; K208-E304 PolarHBondContact NZ-OE1 3.32Å
209	I	95.6	Very high	91.8	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-48	178.1	-64.8	160.1	0	0	0	110.2	R205 A206 N212 A213 C308 E311 L312 T315	R205-I209 HydrophobicContact CG-CD1 3.91Å; R205-I209 WeakPolarHBondContact O-CD1 3.47Å; R205-I209 VanDerWaalsContact O-CG1 3.32Å; R205-I209 WeakPolarHBondContact O-CG1 3.48Å; R205-I209 PolarHBondContact O-N 3.19Å; A206-I209 PolarHBondContact O-N 2.94Å; I209-N212 PolarHBondContact O-N 2.92Å; I209-A213 WeakPolarHBondContact O-CB 3.04Å; I209-A213 PolarHBondContact O-N 3.3Å; I209-C308 PolarHBondContact O-SG 3.25Å; I209-E311 HydrophobicContact CD1-CB 3.83Å; I209-E311 WeakPolarHBondContact CD1-OE2 3.47Å; I209-E311 HydrophobicContact CG1-CB 4.47Å; I209-L312 HydrophobicContact CG2-CB 4.43Å; I209-L312 HydrophobicContact CG2-CD1 4.27Å; I209-T315 WeakPolarHBondContact CD1-OG1 3.44Å
210	L	95.7	Very high	92.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-44.1	179.8	-68.7	177.3	0	0	0	112.4	A206 G207 N212 A213 I214 W244 W262 L265 L312 T315 M316 L319	A206-L210 VanDerWaalsContact O-CG 3.31Å; A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 2.87Å; G207-L210 PolarHBondContact O-N 3.19Å; L210-N212 PolarHBondContact O-N 2.87Å; L210-A213 PolarHBondContact O-N 2.86Å; L210-I214 VanDerWaalsContact O-CG1 3.28Å; L210-I214 WeakPolarHBondContact O-CG1 3.26Å; L210-I214 PolarHBondContact O-N 3.42Å; L210-W244 HydrophobicContact CD2-CH2 4.13Å; L210-W244 HydrophobicContact CD2-CZ3 3.94Å; L210-W262 HydrophobicContact CB-CH2 4.42Å; L210-W262 HydrophobicContact CD1-CH2 3.93Å; L210-W262 HydrophobicContact CD1-CZ3 3.76Å; L210-L265 HydrophobicContact CD1-CD1 4.44Å; L210-L265 HydrophobicContact CD1-CD2 3.97Å; L210-L312 HydrophobicContact CD2-CD1 3.81Å; L210-T315 HydrophobicContact CG-CG2 4.29Å; L210-M316 HydrophobicContact CD2-CE 3.48Å; L210-M316 VanDerWaalsContact CD2-CE 3.48Å; L210-M316 HydrophobicContact CD2-SD 4.23Å; L210-L319 HydrophobicContact CD1-CD1 3.53Å
211	R	95.6	Very high	93.4	Very high	11 Å²	11	46.3 Å²	46.3	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-49.3	175.4	179.8	-177.6	172.1	-90.9	1.7	111	G207 K208 A213 I214 L215 I222 F289 D292	G207-R211 WeakPolarHBondContact O-CB 3.45Å; G207-R211 PolarHBondContact O-N 2.82Å; K208-R211 PolarHBondContact O-N 3.31Å; R211-A213 VanDerWaalsContact C-N 3.33Å; R211-A213 PolarHBondContact O-N 2.88Å; R211-I214 PolarHBondContact O-N 3.41Å; R211-L215 HydrophobicContact CG-CD1 4.23Å; R211-L215 WeakPolarHBondContact O-CG 3.3Å; R211-L215 PolarHBondContact O-N 2.99Å; R211-I222 HydrophobicContact CG-CD1 4.14Å; R211-F289 HydrophobicContact CB-CD1 4.06Å; R211-F289 HydrophobicContact CB-CD2 4.22Å; R211-F289 HydrophobicContact CB-CE1 4.22Å; R211-F289 HydrophobicContact CB-CE2 4.39Å; R211-F289 HydrophobicContact CB-CG 4.06Å; R211-F289 HydrophobicContact CB-CZ 4.38Å; R211-F289 HydrophobicContact CG-CB 4.46Å; R211-F289 HydrophobicContact CG-CD2 4.22Å; R211-F289 HydrophobicContact CG-CG 4.23Å; R211-D292 IonicContact CZ-OD1 2.82Å; R211-D292 IonicContact NE-OD1 3.51Å; R211-D292 PolarHBondContact NE-OD1 2.9Å; R211-D292 IonicContact NE-OD2 4Å; R211-D292 PolarHBondContact NE-OD2 3.29Å; R211-D292 IonicContact NH2-OD1 3.91Å; R211-D292 PolarHBondContact NH2-OD1 2.86Å
212	N	95	Very high	93.9	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-37.5	-179.5	-70.7	-0.3	0	0	0	112	K208 I209 L210 S216 P300 C308	K208-N212 WeakPolarHBondContact O-CB 3.39Å; K208-N212 VanDerWaalsContact O-CG 3.23Å; K208-N212 PolarHBondContact O-N 2.96Å; K208-N212 PolarHBondContact O-OD1 3.35Å; I209-N212 PolarHBondContact O-N 2.92Å; L210-N212 PolarHBondContact O-N 2.87Å; N212-S216 WeakPolarHBondContact O-CB 3.43Å; N212-S216 PolarHBondContact O-N 2.8Å; N212-S216 PolarHBondContact O-OG 3.08Å; N212-P300 HydrophobicContact CB-CB 4.23Å; N212-P300 HydrophobicContact CB-CG 4.04Å; N212-P300 WeakPolarHBondContact OD1-CG 3.2Å; N212-C308 HydrophobicContact CB-CB 4.26Å
213	A	94.2	Very high	94.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-43.4	173.8	0	0	0	0	0	111.8	I209 L210 R211 S216 R217 W244 C308 L312	I209-A213 WeakPolarHBondContact O-CB 3.04Å; I209-A213 PolarHBondContact O-N 3.3Å; L210-A213 PolarHBondContact O-N 2.86Å; R211-A213 VanDerWaalsContact C-N 3.33Å; R211-A213 PolarHBondContact O-N 2.88Å; A213-S216 PolarHBondContact O-N 2.82Å; A213-R217 WeakPolarHBondContact O-CB 3.21Å; A213-R217 WeakPolarHBondContact O-CG 3.43Å; A213-R217 PolarHBondContact O-N 2.77Å; A213-W244 HydrophobicContact CB-CH2 3.77Å; A213-W244 HydrophobicContact CB-CZ2 3.73Å; A213-C308 VanDerWaalsContact CB-SG 3.55Å; A213-C308 PolarHBondContact N-SG 3.06Å; A213-C308 VanDerWaalsContact N-SG 3.4Å; A213-L312 HydrophobicContact CB-CD1 4.02Å; A213-L312 HydrophobicContact CB-CD2 4.34Å
214	I	95.6	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-49.3	177.4	-69.3	165.5	0	0	0	110	L210 R211 S216 R217 A218 M221 I222 L241 W244 W262 F289	L210-I214 VanDerWaalsContact O-CG1 3.28Å; L210-I214 WeakPolarHBondContact O-CG1 3.26Å; L210-I214 PolarHBondContact O-N 3.42Å; R211-I214 PolarHBondContact O-N 3.41Å; I214-S216 PolarHBondContact O-N 3.01Å; I214-R217 PolarHBondContact O-N 2.9Å; I214-A218 CarbonylContact O-C 3.52Å; I214-A218 VanDerWaalsContact O-CA 3.31Å; I214-A218 WeakPolarHBondContact O-CA 3.44Å; I214-A218 PolarHBondContact O-N 2.65Å; I214-M221 HydrophobicContact CG2-CB 3.78Å; I214-M221 HydrophobicContact CG2-CE 4.48Å; I214-M221 HydrophobicContact CG2-CG 4.47Å; I214-M221 HydrophobicContact CG2-SD 4.14Å; I214-I222 HydrophobicContact CB-CD1 4.18Å; I214-I222 HydrophobicContact CG2-CD1 3.73Å; I214-I222 HydrophobicContact CG2-CG1 3.98Å; I214-L241 HydrophobicContact CD1-CD2 3.83Å; I214-W244 HydrophobicContact CD1-CE3 4.37Å; I214-W244 HydrophobicContact CD1-CZ3 4.43Å; I214-W244 HydrophobicContact CG1-CD2 3.84Å; I214-W244 HydrophobicContact CG1-CE3 4.07Å; I214-W244 HydrophobicContact CG1-CG 4.49Å; I214-W244 HydrophobicContact CG1-CH2 3.88Å; I214-W244 HydrophobicContact CG1-CZ2 3.62Å; I214-W244 HydrophobicContact CG1-CZ3 4.09Å; I214-W262 HydrophobicContact CD1-CH2 4.3Å; I214-F289 HydrophobicContact CD1-CE2 4Å; I214-F289 HydrophobicContact CD1-CZ 3.99Å
215	L	94.2	Very high	94.4	Very high	31 Å²	31	36.3 Å²	36.3	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-29.7	177.9	-70.9	175.4	0	0	0	112.8	R211 P219 I222 P300	R211-L215 HydrophobicContact CG-CD1 4.23Å; R211-L215 WeakPolarHBondContact O-CG 3.3Å; R211-L215 PolarHBondContact O-N 2.99Å; L215-P219 WeakPolarHBondContact O-CG 3.37Å; L215-I222 HydrophobicContact CD2-CB 4.11Å; L215-I222 HydrophobicContact CD2-CD1 3.77Å; L215-I222 HydrophobicContact CD2-CG2 4.46Å; L215-I222 HydrophobicContact CG-CD1 3.84Å; L215-P300 HydrophobicContact CB-CG 4.17Å; L215-P300 HydrophobicContact CD1-CG 3.94Å
216	S	92.1	Very high	94.2	Very high	50 Å²	50	40.9 Å²	40.9	35%	0.35	20%	0.196	S	C	.	.	H	α-helix	trans	-83.5	-39.7	179.8	-57.6	0	0	0	0	113.2	N212 A213 I214	N212-S216 WeakPolarHBondContact O-CB 3.43Å; N212-S216 PolarHBondContact O-N 2.8Å; N212-S216 PolarHBondContact O-OG 3.08Å; A213-S216 PolarHBondContact O-N 2.82Å; I214-S216 PolarHBondContact O-N 3.01Å
217	R	92.3	Very high	94	Very high	96 Å²	96	46.4 Å²	46.4	36%	0.362	22%	0.217	S	C	.	.	H	α-helix	trans	-102.7	-27.8	-171.4	-60.4	-177.9	-177.4	179.1	6.6	113.9	A213 I214 D309	A213-R217 WeakPolarHBondContact O-CB 3.21Å; A213-R217 WeakPolarHBondContact O-CG 3.43Å; A213-R217 PolarHBondContact O-N 2.77Å; I214-R217 PolarHBondContact O-N 2.9Å; R217-D309 IonicContact CZ-OD1 3.75Å; R217-D309 IonicContact NE-OD1 3.47Å; R217-D309 IonicContact NH2-OD1 3.96Å; R217-D309 PolarHBondContact NH2-OD1 2.82Å
218	A	94.1	Very high	93.5	Very high	8 Å²	8	53.5 Å²	53.5	7%	0.066	25%	0.249	C	C	.	.			trans	-146	63.3	-177.7	0	0	0	0	0	112.3	I214 H220 M221	I214-A218 CarbonylContact O-C 3.52Å; I214-A218 VanDerWaalsContact O-CA 3.31Å; I214-A218 WeakPolarHBondContact O-CA 3.44Å; I214-A218 PolarHBondContact O-N 2.65Å; A218-H220 PolarHBondContact O-N 2.95Å; A218-M221 HydrophobicContact CB-CG 4.03Å; A218-M221 HydrophobicContact CB-SD 3.63Å; A218-M221 WeakPolarHBondContact O-CB 3.42Å; A218-M221 PolarHBondContact O-N 3.48Å; A218-M221 VanDerWaalsContact O-N 3.09Å
219	P	92.9	Very high	93.3	Very high	77 Å²	77	59 Å²	59	50%	0.5	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-57	-28.4	-172.8	-15.3	19.7	0	0	0	114.4	L215 M221 I222	L215-P219 WeakPolarHBondContact O-CG 3.37Å; P219-M221 PolarHBondContact O-N 2.89Å; P219-M221 VanDerWaalsContact O-N 3.14Å; P219-I222 PolarHBondContact O-N 3.21Å
220	H	93.3	Very high	93.1	Very high	125 Å²	125	65.3 Å²	65.3	58%	0.579	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-64.9	-14	-178.9	64.6	-83.4	0	0	0	114.5	A218 R223	A218-H220 PolarHBondContact O-N 2.95Å; H220-R223 WeakPolarHBondContact O-CD 3.44Å; H220-R223 PolarHBondContact O-NE 3.23Å
221	M	95.9	Very high	92.8	Very high	7 Å²	7	68.8 Å²	68.8	3%	0.034	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-75.2	-37.1	-179.6	-69.4	-180	59.6	0	0	112.7	I214 A218 P219 R225 E240 L241 W244	I214-M221 HydrophobicContact CG2-CB 3.78Å; I214-M221 HydrophobicContact CG2-CE 4.48Å; I214-M221 HydrophobicContact CG2-CG 4.47Å; I214-M221 HydrophobicContact CG2-SD 4.14Å; A218-M221 HydrophobicContact CB-CG 4.03Å; A218-M221 HydrophobicContact CB-SD 3.63Å; A218-M221 WeakPolarHBondContact O-CB 3.42Å; A218-M221 PolarHBondContact O-N 3.48Å; A218-M221 VanDerWaalsContact O-N 3.09Å; P219-M221 PolarHBondContact O-N 2.89Å; P219-M221 VanDerWaalsContact O-N 3.14Å; M221-R225 PolarHBondContact O-NH2 2.88Å; M221-E240 HydrophobicContact CE-CB 4.2Å; M221-E240 WeakPolarHBondContact CE-O 3.4Å; M221-L241 HydrophobicContact CE-CD2 3.92Å; M221-L241 HydrophobicContact CE-CG 4.5Å; M221-W244 HydrophobicContact CE-CB 3.53Å; M221-W244 HydrophobicContact CE-CG 3.92Å; M221-W244 HydrophobicContact SD-CB 3.69Å; M221-W244 HydrophobicContact SD-CG 3.68Å
222	I	95.6	Very high	92.7	Very high	8 Å²	8	69.8 Å²	69.8	4%	0.041	33%	0.333	C	S	.	.	S	Bend	trans	-97.9	106.3	176.6	-62.7	163.1	0	0	0	107.6	R211 I214 L215 P219 Q234 C236 F289	R211-I222 HydrophobicContact CG-CD1 4.14Å; I214-I222 HydrophobicContact CB-CD1 4.18Å; I214-I222 HydrophobicContact CG2-CD1 3.73Å; I214-I222 HydrophobicContact CG2-CG1 3.98Å; L215-I222 HydrophobicContact CD2-CB 4.11Å; L215-I222 HydrophobicContact CD2-CD1 3.77Å; L215-I222 HydrophobicContact CD2-CG2 4.46Å; L215-I222 HydrophobicContact CG-CD1 3.84Å; P219-I222 PolarHBondContact O-N 3.21Å; I222-Q234 HydrophobicContact CG2-CB 4.23Å; I222-C236 WeakPolarHBondContact CG1-SG 3.27Å; I222-F289 HydrophobicContact CD1-CD2 4.35Å; I222-F289 HydrophobicContact CD1-CE2 4.4Å
223	R	94.1	Very high	92.5	Very high	115 Å²	115	74.8 Å²	74.8	43%	0.434	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	170.4	-179.5	60.7	-179.1	177.2	92.8	-2.7	112	H220 R225 C235	H220-R223 WeakPolarHBondContact O-CD 3.44Å; H220-R223 PolarHBondContact O-NE 3.23Å; R223-R225 HydrophobicContact CG-CG 4.41Å; R223-C235 PolarHBondContact N-O 3.24Å; R223-C235 PolarHBondContact O-N 3.04Å
224	D	94.1	Very high	92.4	Very high	69 Å²	69	78.3 Å²	78.3	37%	0.369	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	134.6	171.5	-65.9	-1.3	0	0	0	111	T231 Y232 R233 Q234	D224-T231 HydrophobicContact CB-CG2 4.16Å; D224-Y232 WeakPolarHBondContact CA-O 3.36Å; D224-R233 WeakPolarHBondContact OD1-CA 3.31Å; D224-Q234 PolarHBondContact OD1-N 2.97Å
225	R	94.2	Very high	92.4	Very high	6 Å²	6	78.3 Å²	78.3	2%	0.023	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.2	179.6	-59.9	-175.9	-175.1	-110.5	0.4	110.1	M221 R223 T231 Y232 C235 V237 E240 F286	M221-R225 PolarHBondContact O-NH2 2.88Å; R223-R225 HydrophobicContact CG-CG 4.41Å; R225-T231 CarbonylContact O-C 3.55Å; R225-T231 WeakPolarHBondContact O-CA 3.45Å; R225-Y232 PolarHBondContact N-O 3.18Å; R225-Y232 PolarHBondContact O-N 2.84Å; R225-C235 PolarHBondContact NE-O 3.17Å; R225-C235 VanDerWaalsContact NE-O 3.08Å; R225-V237 VanDerWaalsContact CZ-CG2 3.48Å; R225-E240 IonicContact CZ-OE1 2.65Å; R225-E240 IonicContact CZ-OE2 3.84Å; R225-E240 IonicContact NH1-OE1 2.63Å; R225-E240 PolarHBondContact NH1-OE1 2.7Å; R225-E240 IonicContact NH1-OE2 3.31Å; R225-E240 IonicContact NH2-OE1 3.04Å; R225-E240 PolarHBondContact NH2-OE1 3.05Å; R225-E240 IonicContact NH2-OE2 3.44Å; R225-E240 PolarHBondContact NH2-OE2 2.74Å; R225-F286 HydrophobicContact CB-CE1 4.25Å; R225-F286 HydrophobicContact CB-CE2 4.46Å; R225-F286 HydrophobicContact CB-CZ 4.15Å
226	K	90.9	Very high	92.5	Very high	170 Å²	170	76.9 Å²	76.9	74%	0.739	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.6	178	-67.3	-175.4	179.7	179.1	0	110.2	K230 T231	K226-K230 WeakPolarHBondContact CA-O 3.35Å; K226-T231 HydrophobicContact CG-CG2 4.24Å
227	Y	89.4	Confident	92.7	Very high	118 Å²	118	74.5 Å²	74.5	46%	0.463	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	131	176	-171.2	-110	0	0	0	109.9	L229 K230 F286	Y227-L229 VanDerWaalsContact C-N 3.28Å; Y227-L229 PolarHBondContact O-N 3.01Å; Y227-K230 PolarHBondContact N-O 2.75Å; Y227-K230 PolarHBondContact O-N 3.25Å; Y227-F286 HydrophobicContact CG-CE2 4.14Å; Y227-F286 HydrophobicContact CG-CZ 4.34Å
228	H	85	Confident	92.9	Very high	151 Å²	151	70 Å²	70	70%	0.699	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	49.7	-172.5	-67.4	-61.1	0	0	0	114.2	K230	H228-K230 PolarHBondContact O-N 3.49Å
229	L	88.8	Confident	93	Very high	185 Å²	185	71.5 Å²	71.5	97%	0.969	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	-2.8	179.9	-54.2	168.8	0	0	0	115.7	Y227	Y227-L229 VanDerWaalsContact C-N 3.28Å; Y227-L229 PolarHBondContact O-N 3.01Å
230	K	91.6	Very high	93.3	Very high	137 Å²	137	70.1 Å²	70.1	60%	0.596	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.1	169.1	-67.9	-175.9	178.6	179.9	0	110.2	K226 Y227 H228 Y232	K226-K230 WeakPolarHBondContact CA-O 3.35Å; Y227-K230 PolarHBondContact N-O 2.75Å; Y227-K230 PolarHBondContact O-N 3.25Å; H228-K230 PolarHBondContact O-N 3.49Å; K230-Y232 HydrophobicContact CB-CE2 3.93Å
231	T	90.5	Very high	93.5	Very high	73 Å²	73	64.2 Å²	64.2	45%	0.448	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.4	172.3	-54	0	0	0	0	108.6	D224 R225 K226	D224-T231 HydrophobicContact CB-CG2 4.16Å; R225-T231 CarbonylContact O-C 3.55Å; R225-T231 WeakPolarHBondContact O-CA 3.45Å; K226-T231 HydrophobicContact CG-CG2 4.24Å
232	Y	92.2	Very high	93.5	Very high	32 Å²	32	63.9 Å²	63.9	13%	0.125	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.3	172.9	-61.8	-89.4	0	0	0	108	D224 R225 K230 C235 V274 F286	D224-Y232 WeakPolarHBondContact CA-O 3.36Å; R225-Y232 PolarHBondContact N-O 3.18Å; R225-Y232 PolarHBondContact O-N 2.84Å; K230-Y232 HydrophobicContact CB-CE2 3.93Å; Y232-C235 PolarHBondContact O-SG 3.18Å; Y232-C235 VanDerWaalsContact O-SG 3.33Å; Y232-V274 HydrophobicContact CD1-CB 3.79Å; Y232-V274 HydrophobicContact CD1-CG1 4.19Å; Y232-V274 HydrophobicContact CD1-CG2 3.54Å; Y232-V274 HydrophobicContact CE1-CB 4.17Å; Y232-V274 HydrophobicContact CE1-CG2 3.62Å; Y232-V274 HydrophobicContact CG-CG2 4.42Å; Y232-F286 HydrophobicContact CD1-CD2 4.38Å; Y232-F286 AromaticContact CD2-CD2 3.62Å; Y232-F286 HydrophobicContact CD2-CD2 3.62Å; Y232-F286 AromaticContact CD2-CE2 3.65Å; Y232-F286 HydrophobicContact CD2-CE2 3.65Å; Y232-F286 HydrophobicContact CE2-CD2 4.12Å; Y232-F286 HydrophobicContact CE2-CE2 4.05Å; Y232-F286 AromaticContact CG-CD2 3.76Å; Y232-F286 HydrophobicContact CG-CD2 3.76Å; Y232-F286 HydrophobicContact CG-CE2 4.25Å
233	R	92.3	Very high	93.5	Very high	112 Å²	112	66.5 Å²	66.5	42%	0.423	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145.5	-174.9	-65.9	-176.3	66.3	160.7	-8.8	112.4	D224 C235 R288 E295	D224-R233 WeakPolarHBondContact OD1-CA 3.31Å; R233-C235 VanDerWaalsContact C-N 3.29Å; R233-C235 PolarHBondContact O-N 2.88Å; R233-C235 VanDerWaalsContact O-N 3.15Å; R233-R288 PolarHBondContact O-NE 3.39Å; R233-R288 PolarHBondContact O-NH2 3.27Å; R233-E295 IonicContact CZ-OE1 2.79Å; R233-E295 IonicContact NH1-OE1 2.89Å; R233-E295 PolarHBondContact NH1-OE1 2.79Å; R233-E295 IonicContact NH2-OE1 3.31Å
234	Q	91.7	Very high	93.6	Very high	75 Å²	75	61.4 Å²	61.4	35%	0.35	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	40.6	52.9	171.3	-60.2	-60.6	-26	0	0	113.5	I222 D224 D292	I222-Q234 HydrophobicContact CG2-CB 4.23Å; D224-Q234 PolarHBondContact OD1-N 2.97Å; Q234-D292 HydrophobicContact CB-CB 4.15Å
235	C	94.3	Very high	93.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.8	-174.6	65.2	0	0	0	0	112.5	R223 R225 Y232 R233 V274 F286 Y287	R223-C235 PolarHBondContact N-O 3.24Å; R223-C235 PolarHBondContact O-N 3.04Å; R225-C235 PolarHBondContact NE-O 3.17Å; R225-C235 VanDerWaalsContact NE-O 3.08Å; Y232-C235 PolarHBondContact O-SG 3.18Å; Y232-C235 VanDerWaalsContact O-SG 3.33Å; R233-C235 VanDerWaalsContact C-N 3.29Å; R233-C235 PolarHBondContact O-N 2.88Å; R233-C235 VanDerWaalsContact O-N 3.15Å; C235-V274 HydrophobicContact CB-CG1 4.32Å; C235-F286 HydrophobicContact CB-CB 4.27Å; C235-Y287 CarbonylContact C-O 3.57Å; C235-Y287 WeakPolarHBondContact CA-O 3.48Å; C235-Y287 WeakPolarHBondContact CB-O 3.5Å
236	C	96.6	Very high	93.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	162.6	175	-62.1	0	0	0	0	110.9	I222 L241 F286 Y287	I222-C236 WeakPolarHBondContact CG1-SG 3.27Å; C236-L241 HydrophobicContact CB-CD1 3.73Å; C236-L241 HydrophobicContact CB-CD2 3.89Å; C236-L241 HydrophobicContact CB-CG 3.77Å; C236-F286 CarbonylContact O-C 3.58Å; C236-F286 VanDerWaalsContact O-CA 3.25Å; C236-F286 WeakPolarHBondContact O-CA 3.41Å; C236-Y287 PolarHBondContact N-O 2.78Å; C236-Y287 PolarHBondContact O-N 3.03Å
237	V	97.4	Very high	93.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.7	170.1	174.7	0	0	0	0	110	R225 T239 E240 L241 Y284 L285 F286	R225-V237 VanDerWaalsContact CZ-CG2 3.48Å; V237-T239 WeakPolarHBondContact CG1-OG1 3.46Å; V237-T239 PolarHBondContact O-N 3.31Å; V237-E240 HydrophobicContact CB-CB 4.2Å; V237-E240 HydrophobicContact CB-CG 3.94Å; V237-E240 HydrophobicContact CG1-CG 4.4Å; V237-E240 PolarHBondContact O-N 3.1Å; V237-E240 VanDerWaalsContact O-N 3.08Å; V237-L241 PolarHBondContact O-N 2.93Å; V237-Y284 HydrophobicContact CG1-CD2 3.69Å; V237-Y284 HydrophobicContact CG1-CE2 4.15Å; V237-Y284 HydrophobicContact CG1-CG 4.35Å; V237-Y284 HydrophobicContact CG2-CD2 4.3Å; V237-Y284 HydrophobicContact CG2-CE2 3.96Å; V237-L285 WeakPolarHBondContact CA-O 3.06Å; V237-F286 HydrophobicContact CG2-CD1 3.82Å; V237-F286 HydrophobicContact CG2-CE1 3.86Å
238	G	96.4	Very high	93.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-51.1	-49.4	-180	0	0	0	0	0	114	E240 L241 V242 L285	G238-E240 PolarHBondContact O-N 2.91Å; G238-L241 PolarHBondContact O-N 3.28Å; G238-V242 WeakPolarHBondContact O-CG2 3.31Å; G238-V242 PolarHBondContact O-N 2.92Å; G238-V242 VanDerWaalsContact O-N 3.1Å; G238-L285 PolarHBondContact N-O 3.4Å
239	T	96.8	Very high	93.2	Very high	40 Å²	40	49.2 Å²	49.2	25%	0.245	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-39.7	177	53.1	0	0	0	0	113.2	V237 V242 D243 D282 K283	V237-T239 WeakPolarHBondContact CG1-OG1 3.46Å; V237-T239 PolarHBondContact O-N 3.31Å; T239-V242 PolarHBondContact O-N 3.4Å; T239-D243 PolarHBondContact O-N 3.11Å; T239-D282 WeakPolarHBondContact CA-OD1 3.41Å; T239-D282 VanDerWaalsContact CG2-OD1 3.32Å; T239-D282 WeakPolarHBondContact CG2-OD1 3.36Å; T239-K283 PolarHBondContact N-O 2.89Å
240	E	97.4	Very high	92.6	Very high	49 Å²	49	43.2 Å²	43.2	23%	0.229	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-37.9	179.3	-66.3	177.4	-161.9	0	0	111.2	M221 R225 V237 G238 D243 W244	M221-E240 HydrophobicContact CE-CB 4.2Å; M221-E240 WeakPolarHBondContact CE-O 3.4Å; R225-E240 IonicContact CZ-OE1 2.65Å; R225-E240 IonicContact CZ-OE2 3.84Å; R225-E240 IonicContact NH1-OE1 2.63Å; R225-E240 PolarHBondContact NH1-OE1 2.7Å; R225-E240 IonicContact NH1-OE2 3.31Å; R225-E240 IonicContact NH2-OE1 3.04Å; R225-E240 PolarHBondContact NH2-OE1 3.05Å; R225-E240 IonicContact NH2-OE2 3.44Å; R225-E240 PolarHBondContact NH2-OE2 2.74Å; V237-E240 HydrophobicContact CB-CB 4.2Å; V237-E240 HydrophobicContact CB-CG 3.94Å; V237-E240 HydrophobicContact CG1-CG 4.4Å; V237-E240 PolarHBondContact O-N 3.1Å; V237-E240 VanDerWaalsContact O-N 3.08Å; G238-E240 PolarHBondContact O-N 2.91Å; E240-D243 PolarHBondContact O-N 3.37Å; E240-W244 WeakPolarHBondContact O-CB 3.34Å; E240-W244 PolarHBondContact O-N 3.49Å
241	L	97.4	Very high	91.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-40.7	175	-72.6	174.2	0	0	0	112.1	I214 M221 C236 V237 G238 M245 W262 L271 F280	I214-L241 HydrophobicContact CD1-CD2 3.83Å; M221-L241 HydrophobicContact CE-CD2 3.92Å; M221-L241 HydrophobicContact CE-CG 4.5Å; C236-L241 HydrophobicContact CB-CD1 3.73Å; C236-L241 HydrophobicContact CB-CD2 3.89Å; C236-L241 HydrophobicContact CB-CG 3.77Å; V237-L241 PolarHBondContact O-N 2.93Å; G238-L241 PolarHBondContact O-N 3.28Å; L241-M245 WeakPolarHBondContact O-CB 3.42Å; L241-M245 PolarHBondContact O-N 3.27Å; L241-W262 HydrophobicContact CB-CD2 4.42Å; L241-W262 HydrophobicContact CB-CZ2 3.95Å; L241-W262 HydrophobicContact CD2-CH2 3.96Å; L241-W262 HydrophobicContact CD2-CZ2 3.94Å; L241-W262 HydrophobicContact CG-CZ2 4.47Å; L241-W262 PolarHBondContact O-NE1 3.48Å; L241-W262 VanDerWaalsContact O-NE1 3.07Å; L241-L271 HydrophobicContact CD1-CD2 4.14Å; L241-F280 HydrophobicContact CB-CZ 4.27Å; L241-F280 HydrophobicContact CD1-CE2 4.01Å; L241-F280 HydrophobicContact CD1-CZ 4.48Å
242	V	97.1	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-48.9	174.5	169	0	0	0	0	110.6	G238 T239 W244 M245 M246 R255 A258 V259 F280 D282	G238-V242 WeakPolarHBondContact O-CG2 3.31Å; G238-V242 PolarHBondContact O-N 2.92Å; G238-V242 VanDerWaalsContact O-N 3.1Å; T239-V242 PolarHBondContact O-N 3.4Å; V242-W244 VanDerWaalsContact C-N 3.34Å; V242-W244 PolarHBondContact O-N 2.72Å; V242-M245 PolarHBondContact O-N 3.22Å; V242-M246 HydrophobicContact CG1-SD 4.25Å; V242-M246 WeakPolarHBondContact O-CG 3.23Å; V242-M246 PolarHBondContact O-N 2.63Å; V242-M246 VanDerWaalsContact O-N 3.09Å; V242-R255 HydrophobicContact CG1-CB 3.93Å; V242-R255 HydrophobicContact CG1-CG 4.02Å; V242-A258 HydrophobicContact CB-CB 4.46Å; V242-A258 HydrophobicContact CG1-CB 4Å; V242-A258 HydrophobicContact CG2-CB 4.31Å; V242-V259 HydrophobicContact CG2-CG2 4.34Å; V242-F280 HydrophobicContact CG2-CE1 3.79Å; V242-F280 HydrophobicContact CG2-CZ 4.09Å; V242-D282 HydrophobicContact CG2-CB 4.19Å
243	D	95.5	Very high	91.5	Very high	64 Å²	64	33.7 Å²	33.7	34%	0.342	17%	0.165	S	C	.	.	H	α-helix	trans	-58.8	-46.1	179	-70	-21.9	0	0	0	111.7	T239 E240 M246 Q247 R255	T239-D243 PolarHBondContact O-N 3.11Å; E240-D243 PolarHBondContact O-N 3.37Å; D243-M246 PolarHBondContact O-N 3.05Å; D243-Q247 VanDerWaalsContact O-CG 3.3Å; D243-Q247 WeakPolarHBondContact O-CG 3.43Å; D243-Q247 PolarHBondContact O-N 3.36Å; D243-Q247 VanDerWaalsContact O-N 3.13Å; D243-R255 IonicContact OD1-CZ 2.78Å; D243-R255 IonicContact OD1-NH1 3.58Å; D243-R255 PolarHBondContact OD1-NH1 3.15Å; D243-R255 IonicContact OD1-NH2 2.72Å; D243-R255 PolarHBondContact OD1-NH2 3.35Å
244	W	95.8	Very high	91.4	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.027	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-47.3	179.7	-178.9	91	0	0	0	111.8	L210 A213 I214 M221 E240 V242 M246 Q247 Q248 W262 L312 M316	L210-W244 HydrophobicContact CD2-CH2 4.13Å; L210-W244 HydrophobicContact CD2-CZ3 3.94Å; A213-W244 HydrophobicContact CB-CH2 3.77Å; A213-W244 HydrophobicContact CB-CZ2 3.73Å; I214-W244 HydrophobicContact CD1-CE3 4.37Å; I214-W244 HydrophobicContact CD1-CZ3 4.43Å; I214-W244 HydrophobicContact CG1-CD2 3.84Å; I214-W244 HydrophobicContact CG1-CE3 4.07Å; I214-W244 HydrophobicContact CG1-CG 4.49Å; I214-W244 HydrophobicContact CG1-CH2 3.88Å; I214-W244 HydrophobicContact CG1-CZ2 3.62Å; I214-W244 HydrophobicContact CG1-CZ3 4.09Å; M221-W244 HydrophobicContact CE-CB 3.53Å; M221-W244 HydrophobicContact CE-CG 3.92Å; M221-W244 HydrophobicContact SD-CB 3.69Å; M221-W244 HydrophobicContact SD-CG 3.68Å; E240-W244 WeakPolarHBondContact O-CB 3.34Å; E240-W244 PolarHBondContact O-N 3.49Å; V242-W244 VanDerWaalsContact C-N 3.34Å; V242-W244 PolarHBondContact O-N 2.72Å; W244-M246 VanDerWaalsContact C-N 3.34Å; W244-M246 PolarHBondContact O-N 3.23Å; W244-Q247 PolarHBondContact O-N 3.25Å; W244-Q247 VanDerWaalsContact O-N 3.08Å; W244-Q248 HydrophobicContact CD2-CG 3.66Å; W244-Q248 VanDerWaalsContact CE2-CG 3.45Å; W244-Q248 HydrophobicContact CE3-CG 3.84Å; W244-Q248 HydrophobicContact CG-CG 4.38Å; W244-Q248 HydrophobicContact CH2-CG 3.66Å; W244-Q248 HydrophobicContact CZ2-CG 3.47Å; W244-Q248 VanDerWaalsContact CZ2-CG 3.47Å; W244-Q248 HydrophobicContact CZ3-CG 3.84Å; W244-Q248 VanDerWaalsContact O-CG 3.32Å; W244-Q248 WeakPolarHBondContact O-CG 3.1Å; W244-Q248 PolarHBondContact O-N 3.45Å; W244-W262 HydrophobicContact CE3-CZ2 4.28Å; W244-L312 HydrophobicContact CH2-CD1 4.34Å; W244-M316 HydrophobicContact CH2-CE 4.1Å; W244-M316 HydrophobicContact CZ3-CE 3.63Å
245	M	95.1	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-42.3	-179.4	-177.9	176.4	-84.3	0	0	111.7	L241 V242 Q247 Q248 V252 A258 M261 W262 M316	L241-M245 WeakPolarHBondContact O-CB 3.42Å; L241-M245 PolarHBondContact O-N 3.27Å; V242-M245 PolarHBondContact O-N 3.22Å; M245-Q247 VanDerWaalsContact C-N 3.27Å; M245-Q247 PolarHBondContact O-N 3.12Å; M245-Q248 PolarHBondContact O-N 3.46Å; M245-V252 HydrophobicContact CG-CG2 4.19Å; M245-A258 HydrophobicContact SD-CB 4.03Å; M245-M261 HydrophobicContact CE-CB 4.06Å; M245-M261 HydrophobicContact CE-CE 4.08Å; M245-M261 HydrophobicContact CG-CE 4.36Å; M245-M261 HydrophobicContact SD-CB 3.74Å; M245-M261 HydrophobicContact SD-CE 3.62Å; M245-M261 HydrophobicContact SD-CG 4.4Å; M245-M261 HydrophobicContact SD-SD 3.81Å; M245-W262 HydrophobicContact CB-CZ2 4.21Å; M245-W262 HydrophobicContact CE-CD2 3.71Å; M245-W262 HydrophobicContact CE-CE3 4.25Å; M245-W262 HydrophobicContact CE-CG 4.18Å; M245-W262 HydrophobicContact CE-CH2 4.11Å; M245-W262 HydrophobicContact CE-CZ2 3.55Å; M245-W262 HydrophobicContact CE-CZ3 4.43Å; M245-M316 HydrophobicContact CE-SD 4.22Å; M245-M316 HydrophobicContact CG-CE 4.25Å; M245-M316 HydrophobicContact CG-SD 4.05Å
246	M	92.4	Very high	91.5	Very high	69 Å²	69	34.8 Å²	34.8	34%	0.34	18%	0.182	S	C	.	.	H	α-helix	trans	-64.9	-28.7	176	-69.9	-173.8	69.1	0	0	113.2	V242 D243 W244 V252 R255 A258	V242-M246 HydrophobicContact CG1-SD 4.25Å; V242-M246 WeakPolarHBondContact O-CG 3.23Å; V242-M246 PolarHBondContact O-N 2.63Å; V242-M246 VanDerWaalsContact O-N 3.09Å; D243-M246 PolarHBondContact O-N 3.05Å; W244-M246 VanDerWaalsContact C-N 3.34Å; W244-M246 PolarHBondContact O-N 3.23Å; M246-V252 HydrophobicContact CG-CG1 3.97Å; M246-R255 HydrophobicContact CE-CG 4.43Å; M246-R255 HydrophobicContact SD-CB 4.35Å; M246-R255 HydrophobicContact SD-CG 3.59Å; M246-R255 VanDerWaalsContact SD-CG 3.59Å; M246-A258 HydrophobicContact CG-CB 4.49Å
247	Q	91.6	Very high	91.2	Very high	153 Å²	153	36 Å²	36	72%	0.715	19%	0.187	S	C	*	.	H	α-helix	trans	-80.6	-27.3	176.7	-70.9	172.6	17.5	0	0	113.2	D243 W244 M245	D243-Q247 VanDerWaalsContact O-CG 3.3Å; D243-Q247 WeakPolarHBondContact O-CG 3.43Å; D243-Q247 PolarHBondContact O-N 3.36Å; D243-Q247 VanDerWaalsContact O-N 3.13Å; W244-Q247 PolarHBondContact O-N 3.25Å; W244-Q247 VanDerWaalsContact O-N 3.08Å; M245-Q247 VanDerWaalsContact C-N 3.27Å; M245-Q247 PolarHBondContact O-N 3.12Å
248	Q	86.6	Confident	91.1	Very high	32 Å²	32	36 Å²	36	15%	0.15	19%	0.187	C	C	.	.	H	α-helix	trans	-77.2	-32.3	-174.9	-68.1	-37.2	-67.2	0	0	113.8	W244 M245 M316	W244-Q248 HydrophobicContact CD2-CG 3.66Å; W244-Q248 VanDerWaalsContact CE2-CG 3.45Å; W244-Q248 HydrophobicContact CE3-CG 3.84Å; W244-Q248 HydrophobicContact CG-CG 4.38Å; W244-Q248 HydrophobicContact CH2-CG 3.66Å; W244-Q248 HydrophobicContact CZ2-CG 3.47Å; W244-Q248 VanDerWaalsContact CZ2-CG 3.47Å; W244-Q248 HydrophobicContact CZ3-CG 3.84Å; W244-Q248 VanDerWaalsContact O-CG 3.32Å; W244-Q248 WeakPolarHBondContact O-CG 3.1Å; W244-Q248 PolarHBondContact O-N 3.45Å; M245-Q248 PolarHBondContact O-N 3.46Å; Q248-M316 HydrophobicContact CB-CE 4.13Å
249	T	80.2	Confident	91.1	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.025	19%	0.191	C	C	.	.			trans	-141.8	138.7	-171	-179	0	0	0	0	113	C251 V252 Q313 M316	T249-C251 VanDerWaalsContact CG2-SG 3.5Å; T249-C251 PolarHBondContact O-N 3.09Å; T249-C251 PolarHBondContact OG1-N 3.39Å; T249-C251 PolarHBondContact OG1-SG 3.15Å; T249-V252 HydrophobicContact CG2-CB 4.37Å; T249-V252 HydrophobicContact CG2-CG2 3.7Å; T249-Q313 PolarHBondContact OG1-NE2 3.19Å; T249-M316 HydrophobicContact CG2-CB 4.12Å; T249-M316 HydrophobicContact CG2-CG 3.96Å; T249-M316 HydrophobicContact CG2-SD 4.02Å
250	P	75.6	Confident	91	Very high	59 Å²	59	34.8 Å²	34.8	38%	0.383	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.4	174.2	32.1	-35.6	0	0	0	113.7	V252 E895	P250-V252 PolarHBondContact O-N 3.49Å; P250-E895 HydrophobicContact CG-CB 4.38Å; P250-E895 HydrophobicContact CG-CG 4.02Å
251	C	77.1	Confident	90.9	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.074	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.9	178.6	73	0	0	0	0	113.9	T249 H253 Q257	T249-C251 VanDerWaalsContact CG2-SG 3.5Å; T249-C251 PolarHBondContact O-N 3.09Å; T249-C251 PolarHBondContact OG1-N 3.39Å; T249-C251 PolarHBondContact OG1-SG 3.15Å; C251-H253 PolarHBondContact O-CE1 2.94Å; C251-H253 PolarHBondContact O-ND1 3.18Å; C251-Q257 PolarHBondContact O-NE2 3.3Å; C251-Q257 VanDerWaalsContact O-NE2 3.14Å
252	V	87.6	Confident	90.9	Very high	10 Å²	10	32.5 Å²	32.5	6%	0.061	17%	0.169	C	C	.	.			trans	-104.1	112.6	176.7	-178	0	0	0	0	109.5	M245 M246 T249 P250 Q257 A258 M261	M245-V252 HydrophobicContact CG-CG2 4.19Å; M246-V252 HydrophobicContact CG-CG1 3.97Å; T249-V252 HydrophobicContact CG2-CB 4.37Å; T249-V252 HydrophobicContact CG2-CG2 3.7Å; P250-V252 PolarHBondContact O-N 3.49Å; V252-Q257 HydrophobicContact CG1-CB 4.46Å; V252-A258 HydrophobicContact CG1-CB 4.05Å; V252-M261 HydrophobicContact CG1-SD 4.45Å; V252-M261 HydrophobicContact CG2-CE 3.71Å; V252-M261 HydrophobicContact CG2-SD 3.46Å; V252-M261 WeakPolarHBondContact CG2-SD 3.42Å
253	H	86.8	Confident	90.8	Very high	22 Å²	22	32.6 Å²	32.6	10%	0.102	17%	0.169	C	C	.	.			trans	-97.2	-20.4	-170	-58.7	88.3	0	0	0	113.2	C251 L911 T912 K915	C251-H253 PolarHBondContact O-CE1 2.94Å; C251-H253 PolarHBondContact O-ND1 3.18Å; H253-L911 HydrophobicContact CB-CB 4.32Å; H253-L911 HydrophobicContact CB-CD1 4.34Å; H253-T912 PolarHBondContact NE2-OG1 3.42Å; H253-K915 WeakPolarHBondContact O-CE 3.21Å; H253-K915 PolarHBondContact O-NZ 3.07Å
254	S	91.1	Very high	90.7	Very high	48 Å²	48	29.5 Å²	29.5	34%	0.336	15%	0.153	S	C	.	.			trans	-149.2	160.3	-178.6	71.1	0	0	0	0	112.5	T256 Q257 A258	S254-T256 VanDerWaalsContact C-N 3.25Å; S254-T256 PolarHBondContact O-N 3.5Å; S254-Q257 WeakPolarHBondContact O-CB 3.35Å; S254-Q257 PolarHBondContact O-N 3.26Å; S254-Q257 PolarHBondContact OG-N 3.23Å; S254-Q257 VanDerWaalsContact OG-N 3.11Å; S254-A258 PolarHBondContact O-N 3.01Å; S254-A258 VanDerWaalsContact O-N 3.15Å
255	R	94.1	Very high	90.6	Very high	89 Å²	89	29.2 Å²	29.2	34%	0.336	15%	0.152	S	C	.	.	H	α-helix	trans	-60.6	-38.1	172.8	-58.8	-176.8	74.3	78.8	5.8	111.2	V242 D243 M246 Q257 A258 V259 D282	V242-R255 HydrophobicContact CG1-CB 3.93Å; V242-R255 HydrophobicContact CG1-CG 4.02Å; D243-R255 IonicContact OD1-CZ 2.78Å; D243-R255 IonicContact OD1-NH1 3.58Å; D243-R255 PolarHBondContact OD1-NH1 3.15Å; D243-R255 IonicContact OD1-NH2 2.72Å; D243-R255 PolarHBondContact OD1-NH2 3.35Å; M246-R255 HydrophobicContact CE-CG 4.43Å; M246-R255 HydrophobicContact SD-CB 4.35Å; M246-R255 HydrophobicContact SD-CG 3.59Å; M246-R255 VanDerWaalsContact SD-CG 3.59Å; R255-Q257 VanDerWaalsContact C-N 3.34Å; R255-Q257 PolarHBondContact O-N 2.9Å; R255-A258 WeakPolarHBondContact O-CB 3.47Å; R255-A258 PolarHBondContact O-N 2.57Å; R255-V259 WeakPolarHBondContact O-CG2 3.37Å; R255-V259 PolarHBondContact O-N 3.29Å; R255-D282 IonicContact CZ-OD1 3.48Å; R255-D282 IonicContact CZ-OD2 3.82Å; R255-D282 VanDerWaalsContact CZ-OD2 3.29Å; R255-D282 IonicContact NE-OD1 3.19Å; R255-D282 IonicContact NE-OD2 3.88Å; R255-D282 PolarHBondContact NE-OD2 3.33Å; R255-D282 VanDerWaalsContact NH2-CG 3.33Å; R255-D282 IonicContact NH2-OD1 3.07Å; R255-D282 PolarHBondContact NH2-OD1 3.06Å; R255-D282 IonicContact NH2-OD2 2.8Å; R255-D282 PolarHBondContact NH2-OD2 2.78Å; R255-D282 VanDerWaalsContact NH2-OD2 3.15Å
256	T	92	Very high	90.5	Very high	73 Å²	73	29.4 Å²	29.4	45%	0.448	15%	0.153	S	C	.	.	H	α-helix	trans	-60.4	-40.6	175.6	-49.2	0	0	0	0	112.4	S254 V259 G260 H327 I346	S254-T256 VanDerWaalsContact C-N 3.25Å; S254-T256 PolarHBondContact O-N 3.5Å; T256-V259 WeakPolarHBondContact O-CB 3.33Å; T256-V259 PolarHBondContact O-N 3.38Å; T256-G260 PolarHBondContact O-N 2.87Å; T256-H327 VanDerWaalsContact CG2-CE1 3.47Å; T256-H327 WeakPolarHBondContact CG2-CE1 3.39Å; T256-H327 PolarHBondContact O-CE1 3.43Å; T256-H327 PolarHBondContact O-ND1 3.48Å; T256-H327 VanDerWaalsContact O-ND1 3.12Å; T256-I346 HydrophobicContact CG2-CD1 3.63Å; T256-I346 HydrophobicContact CG2-CG1 4.37Å
257	Q	92.1	Very high	90.2	Very high	26 Å²	26	26.9 Å²	26.9	12%	0.121	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-44.1	174.4	-174.2	-175.5	2.5	0	0	111	C251 V252 S254 R255 V259 G260 M261	C251-Q257 PolarHBondContact O-NE2 3.3Å; C251-Q257 VanDerWaalsContact O-NE2 3.14Å; V252-Q257 HydrophobicContact CG1-CB 4.46Å; S254-Q257 WeakPolarHBondContact O-CB 3.35Å; S254-Q257 PolarHBondContact O-N 3.26Å; S254-Q257 PolarHBondContact OG-N 3.23Å; S254-Q257 VanDerWaalsContact OG-N 3.11Å; R255-Q257 VanDerWaalsContact C-N 3.34Å; R255-Q257 PolarHBondContact O-N 2.9Å; Q257-V259 VanDerWaalsContact C-N 3.3Å; Q257-V259 PolarHBondContact O-N 3.15Å; Q257-G260 PolarHBondContact O-N 3.26Å; Q257-G260 VanDerWaalsContact O-N 3.13Å; Q257-M261 HydrophobicContact CG-SD 4.19Å; Q257-M261 WeakPolarHBondContact O-CG 3.4Å; Q257-M261 PolarHBondContact O-N 3.47Å
258	A	95.3	Very high	90	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-39.2	176.4	0	0	0	0	0	112.2	V242 M245 M246 V252 S254 R255 G260 M261 W262	V242-A258 HydrophobicContact CB-CB 4.46Å; V242-A258 HydrophobicContact CG1-CB 4Å; V242-A258 HydrophobicContact CG2-CB 4.31Å; M245-A258 HydrophobicContact SD-CB 4.03Å; M246-A258 HydrophobicContact CG-CB 4.49Å; V252-A258 HydrophobicContact CG1-CB 4.05Å; S254-A258 PolarHBondContact O-N 3.01Å; S254-A258 VanDerWaalsContact O-N 3.15Å; R255-A258 WeakPolarHBondContact O-CB 3.47Å; R255-A258 PolarHBondContact O-N 2.57Å; A258-G260 VanDerWaalsContact C-N 3.34Å; A258-G260 PolarHBondContact O-N 3.49Å; A258-M261 PolarHBondContact O-N 3.2Å; A258-W262 PolarHBondContact O-N 2.94Å
259	V	96.1	Very high	90	Very high	14 Å²	14	19.1 Å²	19.1	9%	0.085	11%	0.107	C	C	.	.	H	α-helix	trans	-56.8	-47.9	172.9	166.1	0	0	0	0	111	V242 R255 T256 Q257 M261 W262 Q263 F280 D282 M330	V242-V259 HydrophobicContact CG2-CG2 4.34Å; R255-V259 WeakPolarHBondContact O-CG2 3.37Å; R255-V259 PolarHBondContact O-N 3.29Å; T256-V259 WeakPolarHBondContact O-CB 3.33Å; T256-V259 PolarHBondContact O-N 3.38Å; Q257-V259 VanDerWaalsContact C-N 3.3Å; Q257-V259 PolarHBondContact O-N 3.15Å; V259-M261 PolarHBondContact O-N 3.44Å; V259-W262 PolarHBondContact O-N 2.95Å; V259-Q263 VanDerWaalsContact O-CB 3.25Å; V259-Q263 WeakPolarHBondContact O-CB 3.31Å; V259-Q263 PolarHBondContact O-N 3.24Å; V259-F280 HydrophobicContact CB-CD1 4.29Å; V259-F280 HydrophobicContact CG1-CD1 4.17Å; V259-F280 HydrophobicContact CG2-CD1 4.26Å; V259-F280 HydrophobicContact CG2-CE1 4.2Å; V259-D282 HydrophobicContact CG2-CB 3.76Å; V259-M330 HydrophobicContact CG1-CE 4.09Å
260	G	94.2	Very high	90.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-42.8	176.7	0	0	0	0	0	112.7	T256 Q257 A258 Q263 V264 G323	T256-G260 PolarHBondContact O-N 2.87Å; Q257-G260 PolarHBondContact O-N 3.26Å; Q257-G260 VanDerWaalsContact O-N 3.13Å; A258-G260 VanDerWaalsContact C-N 3.34Å; A258-G260 PolarHBondContact O-N 3.49Å; G260-Q263 WeakPolarHBondContact O-CB 3.45Å; G260-Q263 PolarHBondContact O-N 3Å; G260-V264 PolarHBondContact O-N 3.38Å; G260-G323 CarbonylContact C-O 3.48Å; G260-G323 WeakPolarHBondContact CA-O 3.41Å; G260-G323 WeakPolarHBondContact O-CA 3.24Å
261	M	95.7	Very high	91.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64	-43.5	178.5	-67.9	170.4	66.9	0	0	112.6	M245 V252 Q257 A258 V259 Q263 V264 M316 L319	M245-M261 HydrophobicContact CE-CB 4.06Å; M245-M261 HydrophobicContact CE-CE 4.08Å; M245-M261 HydrophobicContact CG-CE 4.36Å; M245-M261 HydrophobicContact SD-CB 3.74Å; M245-M261 HydrophobicContact SD-CE 3.62Å; M245-M261 HydrophobicContact SD-CG 4.4Å; M245-M261 HydrophobicContact SD-SD 3.81Å; V252-M261 HydrophobicContact CG1-SD 4.45Å; V252-M261 HydrophobicContact CG2-CE 3.71Å; V252-M261 HydrophobicContact CG2-SD 3.46Å; V252-M261 WeakPolarHBondContact CG2-SD 3.42Å; Q257-M261 HydrophobicContact CG-SD 4.19Å; Q257-M261 WeakPolarHBondContact O-CG 3.4Å; Q257-M261 PolarHBondContact O-N 3.47Å; A258-M261 PolarHBondContact O-N 3.2Å; V259-M261 PolarHBondContact O-N 3.44Å; M261-Q263 VanDerWaalsContact C-N 3.33Å; M261-V264 WeakPolarHBondContact O-CB 3.31Å; M261-V264 PolarHBondContact O-N 3.36Å; M261-M316 HydrophobicContact CE-SD 4.14Å; M261-L319 HydrophobicContact CB-CB 4.24Å; M261-L319 HydrophobicContact CE-CB 3.88Å; M261-L319 HydrophobicContact CG-CB 4.34Å
262	W	96.5	Very high	92.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70	-31.8	175.1	-73.4	120.4	0	0	0	112.7	L210 I214 L241 W244 M245 A258 V259 V264 L265 L266 L271 F280 F289	L210-W262 HydrophobicContact CB-CH2 4.42Å; L210-W262 HydrophobicContact CD1-CH2 3.93Å; L210-W262 HydrophobicContact CD1-CZ3 3.76Å; I214-W262 HydrophobicContact CD1-CH2 4.3Å; L241-W262 HydrophobicContact CB-CD2 4.42Å; L241-W262 HydrophobicContact CB-CZ2 3.95Å; L241-W262 HydrophobicContact CD2-CH2 3.96Å; L241-W262 HydrophobicContact CD2-CZ2 3.94Å; L241-W262 HydrophobicContact CG-CZ2 4.47Å; L241-W262 PolarHBondContact O-NE1 3.48Å; L241-W262 VanDerWaalsContact O-NE1 3.07Å; W244-W262 HydrophobicContact CE3-CZ2 4.28Å; M245-W262 HydrophobicContact CB-CZ2 4.21Å; M245-W262 HydrophobicContact CE-CD2 3.71Å; M245-W262 HydrophobicContact CE-CE3 4.25Å; M245-W262 HydrophobicContact CE-CG 4.18Å; M245-W262 HydrophobicContact CE-CH2 4.11Å; M245-W262 HydrophobicContact CE-CZ2 3.55Å; M245-W262 HydrophobicContact CE-CZ3 4.43Å; A258-W262 PolarHBondContact O-N 2.94Å; V259-W262 PolarHBondContact O-N 2.95Å; W262-V264 PolarHBondContact O-N 3.23Å; W262-L265 HydrophobicContact CE3-CD1 4.48Å; W262-L265 HydrophobicContact CE3-CD2 4.18Å; W262-L265 HydrophobicContact CZ3-CD2 4.01Å; W262-L265 PolarHBondContact O-N 3.38Å; W262-L265 VanDerWaalsContact O-N 3.11Å; W262-L266 PolarHBondContact O-N 2.59Å; W262-L271 HydrophobicContact CE3-CD2 3.91Å; W262-L271 HydrophobicContact CZ3-CD2 4.46Å; W262-F280 HydrophobicContact CB-CD1 3.67Å; W262-F280 HydrophobicContact CB-CD2 3.65Å; W262-F280 HydrophobicContact CB-CE1 3.6Å; W262-F280 HydrophobicContact CB-CE2 3.57Å; W262-F280 HydrophobicContact CB-CG 3.7Å; W262-F280 HydrophobicContact CB-CZ 3.54Å; W262-F280 AromaticContact CD1-CE1 3.79Å; W262-F280 AromaticContact CD1-CZ 3.56Å; W262-F280 HydrophobicContact CG-CD2 4.45Å; W262-F280 AromaticContact CG-CE1 3.96Å; W262-F280 HydrophobicContact CG-CE1 3.96Å; W262-F280 AromaticContact CG-CE2 3.88Å; W262-F280 HydrophobicContact CG-CE2 3.88Å; W262-F280 AromaticContact CG-CZ 3.6Å; W262-F280 HydrophobicContact CG-CZ 3.6Å; W262-F289 HydrophobicContact CH2-CZ 4.35Å; W262-F289 HydrophobicContact CZ3-CE1 4.41Å; W262-F289 HydrophobicContact CZ3-CZ 4.05Å
263	Q	95.1	Very high	92.4	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-60.9	-29.4	175.4	-178.4	55.5	37.3	0	0	112.2	V259 G260 M261 L265 L266 E267 F280 A326 M330	V259-Q263 VanDerWaalsContact O-CB 3.25Å; V259-Q263 WeakPolarHBondContact O-CB 3.31Å; V259-Q263 PolarHBondContact O-N 3.24Å; G260-Q263 WeakPolarHBondContact O-CB 3.45Å; G260-Q263 PolarHBondContact O-N 3Å; M261-Q263 VanDerWaalsContact C-N 3.33Å; Q263-L265 PolarHBondContact O-N 2.88Å; Q263-L266 PolarHBondContact O-N 3.3Å; Q263-E267 WeakPolarHBondContact O-CG 3.45Å; Q263-E267 PolarHBondContact O-N 2.85Å; Q263-F280 HydrophobicContact CB-CB 4.26Å; Q263-F280 VanDerWaalsContact OE1-CB 3.31Å; Q263-A326 HydrophobicContact CB-CB 4.48Å; Q263-A326 HydrophobicContact CG-CB 4.26Å; Q263-M330 HydrophobicContact CG-CB 4.13Å; Q263-M330 HydrophobicContact CG-SD 4.14Å
264	V	93.6	Very high	92.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.2	-45.8	172.8	178.1	0	0	0	0	111.4	I203 G260 M261 W262 L266 D268 L319 M322 A326	I203-V264 HydrophobicContact CD1-CG1 3.98Å; I203-V264 HydrophobicContact CG1-CG1 4.35Å; I203-V264 HydrophobicContact CG2-CG1 4.35Å; G260-V264 PolarHBondContact O-N 3.38Å; M261-V264 WeakPolarHBondContact O-CB 3.31Å; M261-V264 PolarHBondContact O-N 3.36Å; W262-V264 PolarHBondContact O-N 3.23Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-D268 PolarHBondContact O-N 2.86Å; V264-L319 HydrophobicContact CB-CD2 4.11Å; V264-L319 HydrophobicContact CG1-CD2 3.9Å; V264-M322 HydrophobicContact CG1-CB 4.27Å; V264-M322 HydrophobicContact CG1-CE 4.05Å; V264-M322 HydrophobicContact CG1-SD 4.33Å; V264-M322 HydrophobicContact CG2-CB 3.84Å; V264-A326 HydrophobicContact CG2-CB 3.7Å
265	L	94.1	Very high	92.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.3	-33.2	179.9	-75	76	0	0	0	111.3	I203 L210 W262 Q263 G269 V270 L271 F289 L319	I203-L265 HydrophobicContact CG2-CG 4.44Å; L210-L265 HydrophobicContact CD1-CD1 4.44Å; L210-L265 HydrophobicContact CD1-CD2 3.97Å; W262-L265 HydrophobicContact CE3-CD1 4.48Å; W262-L265 HydrophobicContact CE3-CD2 4.18Å; W262-L265 HydrophobicContact CZ3-CD2 4.01Å; W262-L265 PolarHBondContact O-N 3.38Å; W262-L265 VanDerWaalsContact O-N 3.11Å; Q263-L265 PolarHBondContact O-N 2.88Å; L265-G269 PolarHBondContact O-N 3.03Å; L265-V270 HydrophobicContact CB-CB 4.43Å; L265-V270 PolarHBondContact O-N 3.47Å; L265-L271 HydrophobicContact CB-CB 3.77Å; L265-L271 PolarHBondContact O-N 3.04Å; L265-L271 VanDerWaalsContact O-N 3.13Å; L265-F289 HydrophobicContact CD2-CE1 4.19Å; L265-L319 HydrophobicContact CD1-CD1 3.82Å; L265-L319 HydrophobicContact CD1-CD2 3.53Å; L265-L319 HydrophobicContact CD1-CG 4.34Å
266	L	92.3	Very high	91.5	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-74.3	-44.5	-178.4	-172.9	149.4	0	0	0	113	W262 Q263 V264 D268 G269 L271 F280 Y287	W262-L266 PolarHBondContact O-N 2.59Å; Q263-L266 PolarHBondContact O-N 3.3Å; V264-L266 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 2.84Å; L266-G269 PolarHBondContact O-N 3.3Å; L266-G269 VanDerWaalsContact O-N 3.17Å; L266-L271 WeakPolarHBondContact CA-O 3.29Å; L266-L271 WeakPolarHBondContact CB-O 3.28Å; L266-L271 WeakPolarHBondContact CG-O 3.25Å; L266-F280 HydrophobicContact CD1-CB 4.09Å; L266-Y287 HydrophobicContact CD1-CD1 3.78Å; L266-Y287 HydrophobicContact CD1-CE1 3.55Å
267	E	87.4	Confident	90.7	Very high	15 Å²	15	19.4 Å²	19.4	7%	0.07	10%	0.1	C	C	.	.	H	α-helix	trans	-68	-21.7	179.8	71.7	-176.9	177.5	0	0	113.4	T194 I195 Q263 A326 R329	T194-E267 WeakPolarHBondContact CA-O 3.05Å; I195-E267 HydrophobicContact CD1-CB 3.88Å; I195-E267 HydrophobicContact CD1-CG 4.24Å; I195-E267 WeakPolarHBondContact CD1-OE2 3.33Å; I195-E267 HydrophobicContact CG1-CB 4.13Å; I195-E267 PolarHBondContact N-O 3.16Å; Q263-E267 WeakPolarHBondContact O-CG 3.45Å; Q263-E267 PolarHBondContact O-N 2.85Å; E267-A326 VanDerWaalsContact OE1-CB 3.27Å; E267-A326 WeakPolarHBondContact OE1-CB 3.25Å; E267-R329 IonicContact OE1-CZ 2.74Å; E267-R329 IonicContact OE1-NE 2.62Å; E267-R329 IonicContact OE1-NH2 3.98Å; E267-R329 PolarHBondContact OE1-NH2 3.47Å; E267-R329 IonicContact OE2-CZ 3.55Å; E267-R329 IonicContact OE2-NE 2.78Å; E267-R329 PolarHBondContact OE2-NE 3.26Å; E267-R329 IonicContact OE2-NH2 2.72Å; E267-R329 PolarHBondContact OE2-NH2 2.98Å
268	D	86.1	Confident	90	Very high	11 Å²	11	21 Å²	21	6%	0.059	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.4	176.8	-153.7	51.9	0	0	0	113.2	T196 P199 S200 I203 V264 L266 V270	T196-D268 PolarHBondContact OG1-OD1 2.71Å; P199-D268 VanDerWaalsContact CA-OD2 3.29Å; P199-D268 WeakPolarHBondContact CA-OD2 3.38Å; P199-D268 WeakPolarHBondContact CB-O 3.33Å; P199-D268 WeakPolarHBondContact CG-O 3.38Å; S200-D268 PolarHBondContact N-OD2 2.61Å; I203-D268 WeakPolarHBondContact CB-OD2 3.2Å; I203-D268 HydrophobicContact CD1-CB 3.93Å; I203-D268 WeakPolarHBondContact CD1-OD2 3.43Å; I203-D268 HydrophobicContact CG2-CB 4.01Å; V264-D268 PolarHBondContact O-N 2.86Å; L266-D268 PolarHBondContact O-N 2.84Å; D268-V270 PolarHBondContact O-N 3.18Å
269	G	87.8	Confident	89.6	Confident	11 Å²	11	22.2 Å²	22.2	11%	0.113	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	10.6	173.6	0	0	0	0	0	116.1	L265 L266 N272	L265-G269 PolarHBondContact O-N 3.03Å; L266-G269 PolarHBondContact O-N 3.3Å; L266-G269 VanDerWaalsContact O-N 3.17Å; G269-N272 PolarHBondContact O-ND2 2.8Å
270	V	92.2	Very high	89.5	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.018	11%	0.109	C	C	.	.	S	Bend	trans	-81.3	-28	178.2	-178.3	0	0	0	0	111.7	P199 I203 L204 L265 D268 L290	P199-V270 HydrophobicContact CB-CG2 3.78Å; P199-V270 HydrophobicContact CG-CG2 4.38Å; I203-V270 HydrophobicContact CG2-CB 4.5Å; I203-V270 HydrophobicContact CG2-CG2 3.96Å; L204-V270 HydrophobicContact CB-CG2 4.48Å; L204-V270 HydrophobicContact CD1-CG1 4.5Å; L204-V270 HydrophobicContact CD1-CG2 4.28Å; L265-V270 HydrophobicContact CB-CB 4.43Å; L265-V270 PolarHBondContact O-N 3.47Å; D268-V270 PolarHBondContact O-N 3.18Å; V270-L290 PolarHBondContact O-N 3.12Å
271	L	93.8	Very high	89.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.7	171.7	178.5	72.2	0	0	0	109.3	L241 W262 L265 L266 F280 R288 F289	L241-L271 HydrophobicContact CD1-CD2 4.14Å; W262-L271 HydrophobicContact CE3-CD2 3.91Å; W262-L271 HydrophobicContact CZ3-CD2 4.46Å; L265-L271 HydrophobicContact CB-CB 3.77Å; L265-L271 PolarHBondContact O-N 3.04Å; L265-L271 VanDerWaalsContact O-N 3.13Å; L266-L271 WeakPolarHBondContact CA-O 3.29Å; L266-L271 WeakPolarHBondContact CB-O 3.28Å; L266-L271 WeakPolarHBondContact CG-O 3.25Å; L271-F280 HydrophobicContact CD2-CD2 4.26Å; L271-F280 HydrophobicContact CD2-CE2 4.22Å; L271-R288 CarbonylContact C-O 3.57Å; L271-F289 HydrophobicContact CD1-CD1 4.18Å; L271-F289 HydrophobicContact CD1-CD2 4.19Å; L271-F289 HydrophobicContact CD1-CE1 4.26Å; L271-F289 HydrophobicContact CD1-CE2 4.25Å; L271-F289 HydrophobicContact CD1-CG 4.15Å; L271-F289 HydrophobicContact CD1-CZ 4.29Å
272	N	91.5	Very high	89.4	Confident	16 Å²	16	26.5 Å²	26.5	9%	0.086	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.1	-171.9	-64.7	-66.6	0	0	0	111.7	G269 Y287 R288	G269-N272 PolarHBondContact O-ND2 2.8Å; N272-Y287 CarbonylContact O-C 3.59Å; N272-Y287 WeakPolarHBondContact O-CA 3.29Å; N272-R288 PolarHBondContact N-O 3.16Å; N272-R288 PolarHBondContact O-N 2.84Å
273	H	92.2	Very high	89.4	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.5	165.2	-176.8	-91.6	0	0	0	108.8	D275 Q276 H278 F286 Y287	H273-D275 IonicContact CE1-OD2 3.26Å; H273-D275 PolarHBondContact ND1-N 2.89Å; H273-D275 VanDerWaalsContact ND1-N 3.19Å; H273-D275 PolarHBondContact O-N 3.2Å; H273-Q276 PolarHBondContact O-N 3.24Å; H273-H278 AromaticContact CE1-CD2 3.59Å; H273-H278 AromaticContact NE2-CD2 3.59Å; H273-F286 PolarHBondContact CD2-O 3.31Å; H273-F286 VanDerWaalsContact CD2-O 3.29Å; H273-Y287 HydrophobicContact CB-CD1 3.97Å; H273-Y287 HydrophobicContact CB-CE1 3.9Å; H273-Y287 AromaticContact CD2-CE1 3.73Å; H273-Y287 AromaticContact CD2-CZ 3.92Å
274	V	89.4	Confident	89.4	Confident	29 Å²	29	38.8 Å²	38.8	18%	0.176	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.7	-170.7	-64.9	0	0	0	0	114.3	Y232 C235 F286	Y232-V274 HydrophobicContact CD1-CB 3.79Å; Y232-V274 HydrophobicContact CD1-CG1 4.19Å; Y232-V274 HydrophobicContact CD1-CG2 3.54Å; Y232-V274 HydrophobicContact CE1-CB 4.17Å; Y232-V274 HydrophobicContact CE1-CG2 3.62Å; Y232-V274 HydrophobicContact CG-CG2 4.42Å; C235-V274 HydrophobicContact CB-CG1 4.32Å; V274-F286 HydrophobicContact CG1-CB 3.89Å; V274-F286 HydrophobicContact CG2-CB 3.78Å; V274-F286 HydrophobicContact CG2-CD2 4.47Å; V274-F286 PolarHBondContact N-O 3.25Å; V274-F286 VanDerWaalsContact N-O 3.11Å
275	D	84.1	Confident	89.4	Confident	76 Å²	76	40.5 Å²	40.5	41%	0.406	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-4.1	177.6	-56.7	-47.2	0	0	0	113.7	H273 E277	H273-D275 IonicContact CE1-OD2 3.26Å; H273-D275 PolarHBondContact ND1-N 2.89Å; H273-D275 VanDerWaalsContact ND1-N 3.19Å; H273-D275 PolarHBondContact O-N 3.2Å; D275-E277 HydrophobicContact CB-CG 4.22Å; D275-E277 WeakPolarHBondContact O-CG 3.31Å; D275-E277 PolarHBondContact O-N 3.13Å
276	Q	80.6	Confident	89.5	Confident	79 Å²	79	40.9 Å²	40.9	37%	0.369	20%	0.195	S	C	.	.	S	Bend	trans	55.9	30.2	-176.7	-57.2	-71.2	1.6	0	0	114.4	A192 H273	A192-Q276 HydrophobicContact CB-CB 4.28Å; A192-Q276 WeakPolarHBondContact CB-O 3.28Å; H273-Q276 PolarHBondContact O-N 3.24Å
277	E	74.3	Confident	89.7	Confident	118 Å²	118	40.7 Å²	40.7	55%	0.551	19%	0.194	S	C	*	.			trans	-108.4	-16	-178.3	-67.6	-170.8	170.1	0	0	114.1	P191 D275	P191-E277 VanDerWaalsContact CB-O 3.32Å; P191-E277 WeakPolarHBondContact CB-O 3.17Å; P191-E277 VanDerWaalsContact CG-O 3.28Å; P191-E277 WeakPolarHBondContact CG-O 3.13Å; D275-E277 HydrophobicContact CB-CG 4.22Å; D275-E277 WeakPolarHBondContact O-CG 3.31Å; D275-E277 PolarHBondContact O-N 3.13Å
278	H	78.4	Confident	90	Very high	59 Å²	59	41.8 Å²	41.8	27%	0.273	20%	0.197	S	C	.	.			trans	-127.2	142.1	-170.8	-61.2	-46	0	0	0	112.5	A192 H273 L285	A192-H278 WeakPolarHBondContact CB-O 3.46Å; H273-H278 AromaticContact CE1-CD2 3.59Å; H273-H278 AromaticContact NE2-CD2 3.59Å; H278-L285 HydrophobicContact CB-CD1 4.24Å
279	H	86.8	Confident	90.5	Very high	26 Å²	26	41.4 Å²	41.4	12%	0.12	20%	0.195	C	C	.	.			trans	-62.4	169.2	155.9	-55.2	-65.7	0	0	0	110.4	P191 Q281 Y287 M330 R333	P191-H279 PolarHBondContact O-CE1 3.47Å; P191-H279 PolarHBondContact O-ND1 3.38Å; H279-Q281 PolarHBondContact O-N 3.45Å; H279-Y287 PolarHBondContact O-OH 3.26Å; H279-M330 HydrophobicContact CB-CG 3.69Å; H279-M330 HydrophobicContact CB-SD 3.43Å; H279-M330 WeakPolarHBondContact CB-SD 3.41Å; H279-R333 PolarHBondContact CE1-NH1 2.87Å
280	F	94.1	Very high	90.6	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	21%	0.205	C	C	.	.			trans	-62.4	126.8	174.3	-169.5	-90.3	0	0	0	110	L241 V242 V259 W262 Q263 L266 L271 Y287	L241-F280 HydrophobicContact CB-CZ 4.27Å; L241-F280 HydrophobicContact CD1-CE2 4.01Å; L241-F280 HydrophobicContact CD1-CZ 4.48Å; V242-F280 HydrophobicContact CG2-CE1 3.79Å; V242-F280 HydrophobicContact CG2-CZ 4.09Å; V259-F280 HydrophobicContact CB-CD1 4.29Å; V259-F280 HydrophobicContact CG1-CD1 4.17Å; V259-F280 HydrophobicContact CG2-CD1 4.26Å; V259-F280 HydrophobicContact CG2-CE1 4.2Å; W262-F280 HydrophobicContact CB-CD1 3.67Å; W262-F280 HydrophobicContact CB-CD2 3.65Å; W262-F280 HydrophobicContact CB-CE1 3.6Å; W262-F280 HydrophobicContact CB-CE2 3.57Å; W262-F280 HydrophobicContact CB-CG 3.7Å; W262-F280 HydrophobicContact CB-CZ 3.54Å; W262-F280 AromaticContact CD1-CE1 3.79Å; W262-F280 AromaticContact CD1-CZ 3.56Å; W262-F280 HydrophobicContact CG-CD2 4.45Å; W262-F280 AromaticContact CG-CE1 3.96Å; W262-F280 HydrophobicContact CG-CE1 3.96Å; W262-F280 AromaticContact CG-CE2 3.88Å; W262-F280 HydrophobicContact CG-CE2 3.88Å; W262-F280 AromaticContact CG-CZ 3.6Å; W262-F280 HydrophobicContact CG-CZ 3.6Å; Q263-F280 HydrophobicContact CB-CB 4.26Å; Q263-F280 VanDerWaalsContact OE1-CB 3.31Å; L266-F280 HydrophobicContact CD1-CB 4.09Å; L271-F280 HydrophobicContact CD2-CD2 4.26Å; L271-F280 HydrophobicContact CD2-CE2 4.22Å; F280-Y287 HydrophobicContact CD2-CD1 4.18Å; F280-Y287 AromaticContact CD2-CE1 3.86Å; F280-Y287 HydrophobicContact CD2-CE1 3.86Å; F280-Y287 HydrophobicContact CD2-CE2 4.25Å; F280-Y287 AromaticContact CD2-CZ 3.9Å; F280-Y287 HydrophobicContact CE2-CD2 4.26Å; F280-Y287 HydrophobicContact CE2-CE1 4.49Å; F280-Y287 HydrophobicContact CE2-CE2 4.15Å; F280-Y287 HydrophobicContact CE2-CG 4.49Å
281	Q	92.4	Very high	90.5	Very high	55 Å²	55	46.4 Å²	46.4	26%	0.257	22%	0.219	S	C	.	.			trans	-132.9	139.4	177.5	-63.7	-177.3	10.2	0	0	109.8	H279 K283 L285 Y287	H279-Q281 PolarHBondContact O-N 3.45Å; Q281-K283 HydrophobicContact CB-CB 4.34Å; Q281-K283 HydrophobicContact CB-CD 4.41Å; Q281-K283 HydrophobicContact CB-CG 4.2Å; Q281-K283 PolarHBondContact O-N 3.27Å; Q281-K283 VanDerWaalsContact OE1-CD 3.3Å; Q281-L285 HydrophobicContact CB-CD1 4.15Å; Q281-Y287 PolarHBondContact N-OH 3.43Å; Q281-Y287 PolarHBondContact O-OH 2.95Å
282	D	95.6	Very high	90.4	Very high	49 Å²	49	47 Å²	47	26%	0.262	22%	0.222	S	C	.	.	S	Bend	trans	-72.8	66.9	168.6	-174.4	20.3	0	0	0	110.5	T239 V242 R255 V259	T239-D282 WeakPolarHBondContact CA-OD1 3.41Å; T239-D282 VanDerWaalsContact CG2-OD1 3.32Å; T239-D282 WeakPolarHBondContact CG2-OD1 3.36Å; V242-D282 HydrophobicContact CG2-CB 4.19Å; R255-D282 IonicContact CZ-OD1 3.48Å; R255-D282 IonicContact CZ-OD2 3.82Å; R255-D282 VanDerWaalsContact CZ-OD2 3.29Å; R255-D282 IonicContact NE-OD1 3.19Å; R255-D282 IonicContact NE-OD2 3.88Å; R255-D282 PolarHBondContact NE-OD2 3.33Å; R255-D282 VanDerWaalsContact NH2-CG 3.33Å; R255-D282 IonicContact NH2-OD1 3.07Å; R255-D282 PolarHBondContact NH2-OD1 3.06Å; R255-D282 IonicContact NH2-OD2 2.8Å; R255-D282 PolarHBondContact NH2-OD2 2.78Å; R255-D282 VanDerWaalsContact NH2-OD2 3.15Å; V259-D282 HydrophobicContact CG2-CB 3.76Å
283	K	94.8	Very high	90.1	Very high	120 Å²	120	50.5 Å²	50.5	52%	0.522	24%	0.238	S	C	.	.	S	Bend	trans	-140.7	171.6	-178.9	-69.1	-171.8	-170.3	159.5	0	110.6	T239 Q281 L285	T239-K283 PolarHBondContact N-O 2.89Å; Q281-K283 HydrophobicContact CB-CB 4.34Å; Q281-K283 HydrophobicContact CB-CD 4.41Å; Q281-K283 HydrophobicContact CB-CG 4.2Å; Q281-K283 PolarHBondContact O-N 3.27Å; Q281-K283 VanDerWaalsContact OE1-CD 3.3Å; K283-L285 HydrophobicContact CB-CD1 4.33Å; K283-L285 HydrophobicContact CB-CG 4.13Å; K283-L285 PolarHBondContact O-N 2.79Å
284	Y	95.1	Very high	89.8	Confident	139 Å²	139	57.1 Å²	57.1	55%	0.545	27%	0.268	S	S	.	.	S	Bend	trans	-73.9	64.6	171.8	-162.8	-98.7	0	0	0	111.3	V237 F286	V237-Y284 HydrophobicContact CG1-CD2 3.69Å; V237-Y284 HydrophobicContact CG1-CE2 4.15Å; V237-Y284 HydrophobicContact CG1-CG 4.35Å; V237-Y284 HydrophobicContact CG2-CD2 4.3Å; V237-Y284 HydrophobicContact CG2-CE2 3.96Å; Y284-F286 HydrophobicContact CD1-CE1 4.39Å; Y284-F286 AromaticContact CE1-CE1 3.83Å; Y284-F286 HydrophobicContact CE1-CE1 3.83Å; Y284-F286 AromaticContact CE1-CZ 3.93Å; Y284-F286 HydrophobicContact CE1-CZ 3.93Å
285	L	94.7	Very high	89	Confident	36 Å²	36	62.8 Å²	62.8	19%	0.188	29%	0.293	C	S	.	.			trans	-119.9	149.8	177.3	-68.3	178.4	0	0	0	109.2	V237 G238 H278 Q281 K283 Y287	V237-L285 WeakPolarHBondContact CA-O 3.06Å; G238-L285 PolarHBondContact N-O 3.4Å; H278-L285 HydrophobicContact CB-CD1 4.24Å; Q281-L285 HydrophobicContact CB-CD1 4.15Å; K283-L285 HydrophobicContact CB-CD1 4.33Å; K283-L285 HydrophobicContact CB-CG 4.13Å; K283-L285 PolarHBondContact O-N 2.79Å; L285-Y287 HydrophobicContact CB-CE2 3.84Å; L285-Y287 WeakPolarHBondContact O-CD2 3.42Å; L285-Y287 WeakPolarHBondContact O-CE2 3.48Å
286	F	96	Very high	88.8	Confident	9 Å²	9	66.6 Å²	66.6	4%	0.039	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.4	-174.3	-51.8	-39.3	0	0	0	112.6	R225 Y227 Y232 C235 C236 V237 H273 V274 Y284	R225-F286 HydrophobicContact CB-CE1 4.25Å; R225-F286 HydrophobicContact CB-CE2 4.46Å; R225-F286 HydrophobicContact CB-CZ 4.15Å; Y227-F286 HydrophobicContact CG-CE2 4.14Å; Y227-F286 HydrophobicContact CG-CZ 4.34Å; Y232-F286 HydrophobicContact CD1-CD2 4.38Å; Y232-F286 AromaticContact CD2-CD2 3.62Å; Y232-F286 HydrophobicContact CD2-CD2 3.62Å; Y232-F286 AromaticContact CD2-CE2 3.65Å; Y232-F286 HydrophobicContact CD2-CE2 3.65Å; Y232-F286 HydrophobicContact CE2-CD2 4.12Å; Y232-F286 HydrophobicContact CE2-CE2 4.05Å; Y232-F286 AromaticContact CG-CD2 3.76Å; Y232-F286 HydrophobicContact CG-CD2 3.76Å; Y232-F286 HydrophobicContact CG-CE2 4.25Å; C235-F286 HydrophobicContact CB-CB 4.27Å; C236-F286 CarbonylContact O-C 3.58Å; C236-F286 VanDerWaalsContact O-CA 3.25Å; C236-F286 WeakPolarHBondContact O-CA 3.41Å; V237-F286 HydrophobicContact CG2-CD1 3.82Å; V237-F286 HydrophobicContact CG2-CE1 3.86Å; H273-F286 PolarHBondContact CD2-O 3.31Å; H273-F286 VanDerWaalsContact CD2-O 3.29Å; V274-F286 HydrophobicContact CG1-CB 3.89Å; V274-F286 HydrophobicContact CG2-CB 3.78Å; V274-F286 HydrophobicContact CG2-CD2 4.47Å; V274-F286 PolarHBondContact N-O 3.25Å; V274-F286 VanDerWaalsContact N-O 3.11Å; Y284-F286 HydrophobicContact CD1-CE1 4.39Å; Y284-F286 AromaticContact CE1-CE1 3.83Å; Y284-F286 HydrophobicContact CE1-CE1 3.83Å; Y284-F286 AromaticContact CE1-CZ 3.93Å; Y284-F286 HydrophobicContact CE1-CZ 3.93Å
287	Y	95.7	Very high	89	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.2	178.7	-56.2	-92.9	0	0	0	110.6	C235 C236 L266 N272 H273 H279 F280 Q281 L285	C235-Y287 CarbonylContact C-O 3.57Å; C235-Y287 WeakPolarHBondContact CA-O 3.48Å; C235-Y287 WeakPolarHBondContact CB-O 3.5Å; C236-Y287 PolarHBondContact N-O 2.78Å; C236-Y287 PolarHBondContact O-N 3.03Å; L266-Y287 HydrophobicContact CD1-CD1 3.78Å; L266-Y287 HydrophobicContact CD1-CE1 3.55Å; N272-Y287 CarbonylContact O-C 3.59Å; N272-Y287 WeakPolarHBondContact O-CA 3.29Å; H273-Y287 HydrophobicContact CB-CD1 3.97Å; H273-Y287 HydrophobicContact CB-CE1 3.9Å; H273-Y287 AromaticContact CD2-CE1 3.73Å; H273-Y287 AromaticContact CD2-CZ 3.92Å; H279-Y287 PolarHBondContact O-OH 3.26Å; F280-Y287 HydrophobicContact CD2-CD1 4.18Å; F280-Y287 AromaticContact CD2-CE1 3.86Å; F280-Y287 HydrophobicContact CD2-CE1 3.86Å; F280-Y287 HydrophobicContact CD2-CE2 4.25Å; F280-Y287 AromaticContact CD2-CZ 3.9Å; F280-Y287 HydrophobicContact CE2-CD2 4.26Å; F280-Y287 HydrophobicContact CE2-CE1 4.49Å; F280-Y287 HydrophobicContact CE2-CE2 4.15Å; F280-Y287 HydrophobicContact CE2-CG 4.49Å; Q281-Y287 PolarHBondContact N-OH 3.43Å; Q281-Y287 PolarHBondContact O-OH 2.95Å; L285-Y287 HydrophobicContact CB-CE2 3.84Å; L285-Y287 WeakPolarHBondContact O-CD2 3.42Å; L285-Y287 WeakPolarHBondContact O-CE2 3.48Å
288	R	95.3	Very high	89.6	Confident	39 Å²	39	63.5 Å²	63.5	15%	0.147	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134	-179.2	-166.8	179.9	-56.4	119.8	-2.3	110.9	R233 L271 N272 D292 E293	R233-R288 PolarHBondContact O-NE 3.39Å; R233-R288 PolarHBondContact O-NH2 3.27Å; L271-R288 CarbonylContact C-O 3.57Å; N272-R288 PolarHBondContact N-O 3.16Å; N272-R288 PolarHBondContact O-N 2.84Å; R288-D292 WeakPolarHBondContact CD-O 3.39Å; R288-D292 HydrophobicContact CG-CB 3.88Å; R288-E293 WeakPolarHBondContact CD-OE1 3.22Å; R288-E293 IonicContact CZ-OE1 3.12Å; R288-E293 IonicContact NH1-OE1 3.92Å; R288-E293 PolarHBondContact NH1-OE1 3.44Å; R288-E293 IonicContact NH1-OE2 3.97Å; R288-E293 PolarHBondContact NH1-OE2 2.74Å
289	F	95.1	Very high	90	Very high	2 Å²	2	67.3 Å²	67.3	1%	0.009	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	149.2	171.9	-76	-84	0	0	0	110.4	R211 I214 I222 W262 L265 L271 D291 D292 E293	R211-F289 HydrophobicContact CB-CD1 4.06Å; R211-F289 HydrophobicContact CB-CD2 4.22Å; R211-F289 HydrophobicContact CB-CE1 4.22Å; R211-F289 HydrophobicContact CB-CE2 4.39Å; R211-F289 HydrophobicContact CB-CG 4.06Å; R211-F289 HydrophobicContact CB-CZ 4.38Å; R211-F289 HydrophobicContact CG-CB 4.46Å; R211-F289 HydrophobicContact CG-CD2 4.22Å; R211-F289 HydrophobicContact CG-CG 4.23Å; I214-F289 HydrophobicContact CD1-CE2 4Å; I214-F289 HydrophobicContact CD1-CZ 3.99Å; I222-F289 HydrophobicContact CD1-CD2 4.35Å; I222-F289 HydrophobicContact CD1-CE2 4.4Å; W262-F289 HydrophobicContact CH2-CZ 4.35Å; W262-F289 HydrophobicContact CZ3-CE1 4.41Å; W262-F289 HydrophobicContact CZ3-CZ 4.05Å; L265-F289 HydrophobicContact CD2-CE1 4.19Å; L271-F289 HydrophobicContact CD1-CD1 4.18Å; L271-F289 HydrophobicContact CD1-CD2 4.19Å; L271-F289 HydrophobicContact CD1-CE1 4.26Å; L271-F289 HydrophobicContact CD1-CE2 4.25Å; L271-F289 HydrophobicContact CD1-CG 4.15Å; L271-F289 HydrophobicContact CD1-CZ 4.29Å; F289-D291 VanDerWaalsContact C-N 3.26Å; F289-D291 PolarHBondContact O-N 2.64Å; F289-D292 PolarHBondContact O-N 3.46Å; F289-E293 PolarHBondContact O-N 2.97Å
290	L	91.1	Very high	90.2	Very high	62 Å²	62	66.7 Å²	66.7	33%	0.325	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-55.3	-40.5	-179.9	-174.9	62.2	0	0	0	112.9	L204 V270 D292 E293	L204-L290 HydrophobicContact CD1-CD2 3.8Å; V270-L290 PolarHBondContact O-N 3.12Å; L290-D292 PolarHBondContact O-N 3.1Å; L290-E293 WeakPolarHBondContact O-CB 3.28Å; L290-E293 PolarHBondContact O-N 3.07Å
291	D	89.5	Confident	90.2	Very high	57 Å²	57	70.2 Å²	70.2	31%	0.305	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-62.4	-30.7	177.5	-67.5	-16.1	0	0	0	112.8	F289 E293 A297	F289-D291 VanDerWaalsContact C-N 3.26Å; F289-D291 PolarHBondContact O-N 2.64Å; D291-E293 VanDerWaalsContact C-N 3.33Å; D291-A297 VanDerWaalsContact O-CB 3.27Å; D291-A297 WeakPolarHBondContact O-CB 3.39Å
292	D	91.6	Very high	90	Very high	13 Å²	13	74.1 Å²	74.1	7%	0.07	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-85.2	-2.1	-178.1	-63.9	-45.8	0	0	0	113.1	R211 Q234 R288 F289 L290 H294	R211-D292 IonicContact CZ-OD1 2.82Å; R211-D292 IonicContact NE-OD1 3.51Å; R211-D292 PolarHBondContact NE-OD1 2.9Å; R211-D292 IonicContact NE-OD2 4Å; R211-D292 PolarHBondContact NE-OD2 3.29Å; R211-D292 IonicContact NH2-OD1 3.91Å; R211-D292 PolarHBondContact NH2-OD1 2.86Å; Q234-D292 HydrophobicContact CB-CB 4.15Å; R288-D292 WeakPolarHBondContact CD-O 3.39Å; R288-D292 HydrophobicContact CG-CB 3.88Å; F289-D292 PolarHBondContact O-N 3.46Å; L290-D292 PolarHBondContact O-N 3.1Å; D292-H294 PolarHBondContact O-N 3.48Å
293	E	86	Confident	89.8	Confident	90 Å²	90	79.6 Å²	79.6	42%	0.421	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-68	-24.1	169.1	-72.8	-68	154.6	0	0	111.8	R288 F289 L290 D291	R288-E293 WeakPolarHBondContact CD-OE1 3.22Å; R288-E293 IonicContact CZ-OE1 3.12Å; R288-E293 IonicContact NH1-OE1 3.92Å; R288-E293 PolarHBondContact NH1-OE1 3.44Å; R288-E293 IonicContact NH1-OE2 3.97Å; R288-E293 PolarHBondContact NH1-OE2 2.74Å; F289-E293 PolarHBondContact O-N 2.97Å; L290-E293 WeakPolarHBondContact O-CB 3.28Å; L290-E293 PolarHBondContact O-N 3.07Å; D291-E293 VanDerWaalsContact C-N 3.33Å
294	H	84.5	Confident	89.6	Confident	140 Å²	140	76 Å²	76	65%	0.648	38%	0.382	S	S	*	.	S	Bend	trans	-82.8	133.2	174.4	-64.7	-61.2	0	0	0	111.1	D292 D296 A297	D292-H294 PolarHBondContact O-N 3.48Å; H294-D296 PolarHBondContact O-N 3.11Å; H294-A297 PolarHBondContact O-N 2.97Å
295	E	73.9	Confident	89.4	Confident	148 Å²	148	72.6 Å²	72.6	69%	0.692	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-29	-173.2	-157.4	169.3	-168.5	0	0	113.4	R233	R233-E295 IonicContact CZ-OE1 2.79Å; R233-E295 IonicContact NH1-OE1 2.89Å; R233-E295 PolarHBondContact NH1-OE1 2.79Å; R233-E295 IonicContact NH2-OE1 3.31Å
296	D	80.1	Confident	89	Confident	157 Å²	157	77.2 Å²	77.2	84%	0.84	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	41	178.8	-64.4	-40.6	0	0	0	112.5	H294 P298	H294-D296 PolarHBondContact O-N 3.11Å; D296-P298 WeakPolarHBondContact O-CD 3.35Å; D296-P298 VanDerWaalsContact O-N 3.16Å
297	A	84.2	Confident	88.7	Confident	29 Å²	29	80.3 Å²	80.3	24%	0.24	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-56.6	119.2	179.3	0	0	0	0	0	111.3	D291 H294	D291-A297 VanDerWaalsContact O-CB 3.27Å; D291-A297 WeakPolarHBondContact O-CB 3.39Å; H294-A297 PolarHBondContact O-N 2.97Å
298	P	86.3	Confident	88.4	Confident	103 Å²	103	80.4 Å²	80.4	67%	0.669	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-67.7	148.6	-175.3	26.4	-33.3	0	0	0	111.6	D296	D296-P298 WeakPolarHBondContact O-CD 3.35Å; D296-P298 VanDerWaalsContact O-N 3.16Å
299	L	87.9	Confident	88	Confident	139 Å²	139	83.1 Å²	83.1	73%	0.728	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-71.5	148.7	169.1	-68.4	175.4	0	0	0	110.1	T301	L299-T301 PolarHBondContact O-N 2.8Å
300	P	90.7	Very high	87.6	Confident	13 Å²	13	89.2 Å²	89.2	8%	0.084	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-61.2	132.5	179.5	-19.1	30.2	0	0	0	111.4	N212 L215 K305	N212-P300 HydrophobicContact CB-CB 4.23Å; N212-P300 HydrophobicContact CB-CG 4.04Å; N212-P300 WeakPolarHBondContact OD1-CG 3.2Å; L215-P300 HydrophobicContact CB-CG 4.17Å; L215-P300 HydrophobicContact CD1-CG 3.94Å; P300-K305 HydrophobicContact CB-CG 4.04Å; P300-K305 WeakPolarHBondContact O-CE 3.4Å
301	T	92.7	Very high	87.5	Confident	75 Å²	75	89.2 Å²	89.2	46%	0.46	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-67.6	160	171.4	61.1	0	0	0	0	111.2	L299 E303 E304 K305	L299-T301 PolarHBondContact O-N 2.8Å; T301-E303 PolarHBondContact O-N 3.11Å; T301-E304 PolarHBondContact N-OE2 3.36Å; T301-E304 PolarHBondContact O-N 3.11Å; T301-E304 VanDerWaalsContact O-N 3.17Å; T301-E304 WeakPolarHBondContact OG1-CB 2.9Å; T301-E304 WeakPolarHBondContact OG1-CG 3.34Å; T301-E304 PolarHBondContact OG1-N 3.35Å; T301-E304 PolarHBondContact OG1-OE2 2.88Å; T301-K305 WeakPolarHBondContact O-CG 3.23Å; T301-K305 PolarHBondContact O-N 3.18Å
302	E	89.8	Confident	87.6	Confident	137 Å²	137	86.9 Å²	86.9	64%	0.64	44%	0.436	S	S	*	.	H	α-helix	trans	-61.6	-30.8	177.3	-68.6	-58.6	128.5	0	0	112.7	K305 K306	E302-K305 IonicContact OE1-NZ 3.85Å; E302-K305 PolarHBondContact OE1-NZ 2.88Å; E302-K306 PolarHBondContact O-N 2.73Å; E302-K306 VanDerWaalsContact O-N 3.1Å
303	E	90.8	Very high	87.3	Confident	164 Å²	164	87.4 Å²	87.4	77%	0.766	44%	0.438	S	S	*	.	H	α-helix	trans	-66.3	-47.3	173.1	-68.4	-179.9	178.5	0	0	111.2	T301 K305 K306 E307	T301-E303 PolarHBondContact O-N 3.11Å; E303-K305 VanDerWaalsContact C-N 3.3Å; E303-K305 PolarHBondContact O-N 2.83Å; E303-K306 WeakPolarHBondContact O-CB 3.4Å; E303-K306 PolarHBondContact O-N 3.45Å; E303-E307 WeakPolarHBondContact O-CB 3.41Å; E303-E307 PolarHBondContact O-N 3.31Å
304	E	90.8	Very high	87.4	Confident	45 Å²	45	88.3 Å²	88.3	21%	0.21	45%	0.445	C	S	.	.	H	α-helix	trans	-65.7	-31.5	176.8	-72.4	171.2	131.4	0	0	112.8	K208 T301 C308	K208-E304 VanDerWaalsContact CE-OE1 3.26Å; K208-E304 WeakPolarHBondContact CE-OE1 3.39Å; K208-E304 IonicContact NZ-OE1 2.99Å; K208-E304 PolarHBondContact NZ-OE1 3.32Å; T301-E304 PolarHBondContact N-OE2 3.36Å; T301-E304 PolarHBondContact O-N 3.11Å; T301-E304 VanDerWaalsContact O-N 3.17Å; T301-E304 WeakPolarHBondContact OG1-CB 2.9Å; T301-E304 WeakPolarHBondContact OG1-CG 3.34Å; T301-E304 PolarHBondContact OG1-N 3.35Å; T301-E304 PolarHBondContact OG1-OE2 2.88Å; E304-C308 WeakPolarHBondContact O-CB 3.25Å; E304-C308 PolarHBondContact O-N 2.97Å
305	K	89.9	Confident	87.8	Confident	66 Å²	66	82.1 Å²	82.1	29%	0.287	42%	0.417	S	S	.	.	H	α-helix	trans	-65.7	-43.1	172.8	-70.7	179.9	-170.4	167.4	0	111.3	P300 T301 E302 E303 C308 D309	P300-K305 HydrophobicContact CB-CG 4.04Å; P300-K305 WeakPolarHBondContact O-CE 3.4Å; T301-K305 WeakPolarHBondContact O-CG 3.23Å; T301-K305 PolarHBondContact O-N 3.18Å; E302-K305 IonicContact OE1-NZ 3.85Å; E302-K305 PolarHBondContact OE1-NZ 2.88Å; E303-K305 VanDerWaalsContact C-N 3.3Å; E303-K305 PolarHBondContact O-N 2.83Å; K305-C308 WeakPolarHBondContact O-CB 3.22Å; K305-C308 PolarHBondContact O-N 3.47Å; K305-D309 PolarHBondContact O-N 2.85Å
306	K	87.1	Confident	88.6	Confident	134 Å²	134	75 Å²	75	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-65.5	-47.6	177.4	-173.8	-171.9	172.5	-162.4	0	111.3	E302 E303 C308 D309 E310	E302-K306 PolarHBondContact O-N 2.73Å; E302-K306 VanDerWaalsContact O-N 3.1Å; E303-K306 WeakPolarHBondContact O-CB 3.4Å; E303-K306 PolarHBondContact O-N 3.45Å; K306-C308 VanDerWaalsContact C-N 3.3Å; K306-C308 PolarHBondContact O-N 3.47Å; K306-D309 PolarHBondContact O-N 3.18Å; K306-E310 VanDerWaalsContact CE-OE1 3.28Å; K306-E310 WeakPolarHBondContact CE-OE1 3.29Å; K306-E310 WeakPolarHBondContact O-CG 3.19Å; K306-E310 PolarHBondContact O-N 2.84Å; K306-E310 VanDerWaalsContact O-N 3.11Å
307	E	89.4	Confident	89	Confident	73 Å²	73	69.5 Å²	69.5	34%	0.341	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-43.3	176	-172.2	-177.8	-153.8	0	0	111.1	R205 E303 D309 E310 E311	R205-E307 IonicContact CZ-OE1 3.73Å; R205-E307 IonicContact CZ-OE2 3.43Å; R205-E307 IonicContact NH1-OE1 2.68Å; R205-E307 PolarHBondContact NH1-OE1 2.62Å; R205-E307 IonicContact NH1-OE2 3.9Å; R205-E307 IonicContact NH2-OE1 3.15Å; R205-E307 PolarHBondContact NH2-OE1 2.81Å; R205-E307 IonicContact NH2-OE2 3.49Å; E303-E307 WeakPolarHBondContact O-CB 3.41Å; E303-E307 PolarHBondContact O-N 3.31Å; E307-D309 PolarHBondContact O-N 3Å; E307-E310 PolarHBondContact O-N 3.33Å; E307-E311 PolarHBondContact O-N 3.32Å
308	C	90.1	Very high	89.3	Confident	3 Å²	3	70.7 Å²	70.7	2%	0.02	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-44.2	174.3	172.1	0	0	0	0	112.7	I209 N212 A213 E304 K305 K306 E310 E311 L312	I209-C308 PolarHBondContact O-SG 3.25Å; N212-C308 HydrophobicContact CB-CB 4.26Å; A213-C308 VanDerWaalsContact CB-SG 3.55Å; A213-C308 PolarHBondContact N-SG 3.06Å; A213-C308 VanDerWaalsContact N-SG 3.4Å; E304-C308 WeakPolarHBondContact O-CB 3.25Å; E304-C308 PolarHBondContact O-N 2.97Å; K305-C308 WeakPolarHBondContact O-CB 3.22Å; K305-C308 PolarHBondContact O-N 3.47Å; K306-C308 VanDerWaalsContact C-N 3.3Å; K306-C308 PolarHBondContact O-N 3.47Å; C308-E310 PolarHBondContact O-N 2.94Å; C308-E311 PolarHBondContact O-N 3.46Å; C308-L312 VanDerWaalsContact O-CB 3.24Å; C308-L312 WeakPolarHBondContact O-CB 3.49Å; C308-L312 PolarHBondContact O-N 3.11Å
309	D	85.9	Confident	89.7	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-29.6	178.6	-88.8	-16.2	0	0	0	112.4	R217 K305 K306 E307	R217-D309 IonicContact CZ-OD1 3.75Å; R217-D309 IonicContact NE-OD1 3.47Å; R217-D309 IonicContact NH2-OD1 3.96Å; R217-D309 PolarHBondContact NH2-OD1 2.82Å; K305-D309 PolarHBondContact O-N 2.85Å; K306-D309 PolarHBondContact O-N 3.18Å; E307-D309 PolarHBondContact O-N 3Å
310	E	86.4	Confident	89.8	Confident	130 Å²	130	60.1 Å²	60.1	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-76.3	-42.8	175.8	-69.9	175.4	-175.4	0	0	112	K306 E307 C308	K306-E310 VanDerWaalsContact CE-OE1 3.28Å; K306-E310 WeakPolarHBondContact CE-OE1 3.29Å; K306-E310 WeakPolarHBondContact O-CG 3.19Å; K306-E310 PolarHBondContact O-N 2.84Å; K306-E310 VanDerWaalsContact O-N 3.11Å; E307-E310 PolarHBondContact O-N 3.33Å; C308-E310 PolarHBondContact O-N 2.94Å
311	E	90.4	Very high	89.7	Confident	62 Å²	62	62.5 Å²	62.5	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-91	-10.8	-174.6	-66.9	-176.8	-167.5	0	0	115.1	R205 I209 E307 C308 Q313 D314 T315	R205-E311 IonicContact CZ-OE1 2.74Å; R205-E311 IonicContact CZ-OE2 2.85Å; R205-E311 IonicContact NE-OE2 2.73Å; R205-E311 PolarHBondContact NE-OE2 3.42Å; R205-E311 IonicContact NH2-OE1 3.68Å; R205-E311 PolarHBondContact NH2-OE1 3.26Å; R205-E311 IonicContact NH2-OE2 3.99Å; R205-E311 PolarHBondContact NH2-OE2 3.38Å; I209-E311 HydrophobicContact CD1-CB 3.83Å; I209-E311 WeakPolarHBondContact CD1-OE2 3.47Å; I209-E311 HydrophobicContact CG1-CB 4.47Å; E307-E311 PolarHBondContact O-N 3.32Å; C308-E311 PolarHBondContact O-N 3.46Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 2.95Å; E311-D314 PolarHBondContact O-N 3.44Å; E311-T315 WeakPolarHBondContact O-CB 3.4Å; E311-T315 PolarHBondContact O-N 2.83Å; E311-T315 PolarHBondContact O-OG1 3.23Å
312	L	90.1	Very high	89.6	Confident	9 Å²	9	61.9 Å²	61.9	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-57.7	-40.6	-174.3	-178.8	64.6	0	0	0	112.8	I209 L210 A213 W244 C308 T315 M316	I209-L312 HydrophobicContact CG2-CB 4.43Å; I209-L312 HydrophobicContact CG2-CD1 4.27Å; L210-L312 HydrophobicContact CD2-CD1 3.81Å; A213-L312 HydrophobicContact CB-CD1 4.02Å; A213-L312 HydrophobicContact CB-CD2 4.34Å; W244-L312 HydrophobicContact CH2-CD1 4.34Å; C308-L312 VanDerWaalsContact O-CB 3.24Å; C308-L312 WeakPolarHBondContact O-CB 3.49Å; C308-L312 PolarHBondContact O-N 3.11Å; L312-T315 PolarHBondContact O-N 2.78Å; L312-M316 HydrophobicContact CD1-CE 3.97Å; L312-M316 HydrophobicContact CD1-CG 4.49Å; L312-M316 VanDerWaalsContact O-CG 3.25Å; L312-M316 WeakPolarHBondContact O-CG 3.32Å; L312-M316 PolarHBondContact O-N 2.83Å
313	Q	86.7	Confident	89.7	Confident	24 Å²	24	55.4 Å²	55.4	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-69.5	-42.1	-176.8	-168.9	61.7	26.6	0	0	111.8	T249 E311 T315 M316 L317 A894	T249-Q313 PolarHBondContact OG1-NE2 3.19Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 2.95Å; Q313-T315 VanDerWaalsContact C-N 3.32Å; Q313-M316 PolarHBondContact O-N 2.97Å; Q313-L317 PolarHBondContact O-N 3.49Å; Q313-A894 HydrophobicContact CG-CB 4.37Å
314	D	87.9	Confident	89.7	Confident	108 Å²	108	48.3 Å²	48.3	58%	0.578	24%	0.237	S	C	*	.	H	α-helix	trans	-67.5	-36.7	177.1	-65.3	-18.3	0	0	0	111	E311 L317 L318	E311-D314 PolarHBondContact O-N 3.44Å; D314-L317 PolarHBondContact O-N 2.96Å; D314-L318 WeakPolarHBondContact O-CB 3.46Å; D314-L318 PolarHBondContact O-N 3.28Å
315	T	92.4	Very high	89.4	Confident	10 Å²	10	49 Å²	49	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-44.2	173	-58.6	0	0	0	0	111.6	A206 I209 L210 E311 L312 Q313 L317 L318 L319	A206-T315 HydrophobicContact CB-CG2 3.6Å; I209-T315 WeakPolarHBondContact CD1-OG1 3.44Å; L210-T315 HydrophobicContact CG-CG2 4.29Å; E311-T315 WeakPolarHBondContact O-CB 3.4Å; E311-T315 PolarHBondContact O-N 2.83Å; E311-T315 PolarHBondContact O-OG1 3.23Å; L312-T315 PolarHBondContact O-N 2.78Å; Q313-T315 VanDerWaalsContact C-N 3.32Å; T315-L317 VanDerWaalsContact C-N 3.34Å; T315-L317 PolarHBondContact O-N 2.98Å; T315-L318 PolarHBondContact O-N 3.48Å; T315-L319 HydrophobicContact CG2-CD1 4.29Å; T315-L319 WeakPolarHBondContact O-CG 3.33Å; T315-L319 PolarHBondContact O-N 3.37Å
316	M	91.2	Very high	89.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-39.3	175.8	-71.5	-67.1	-176.8	0	0	111.9	L210 W244 M245 Q248 T249 M261 L312 Q313 S320	L210-M316 HydrophobicContact CD2-CE 3.48Å; L210-M316 VanDerWaalsContact CD2-CE 3.48Å; L210-M316 HydrophobicContact CD2-SD 4.23Å; W244-M316 HydrophobicContact CH2-CE 4.1Å; W244-M316 HydrophobicContact CZ3-CE 3.63Å; M245-M316 HydrophobicContact CE-SD 4.22Å; M245-M316 HydrophobicContact CG-CE 4.25Å; M245-M316 HydrophobicContact CG-SD 4.05Å; Q248-M316 HydrophobicContact CB-CE 4.13Å; T249-M316 HydrophobicContact CG2-CB 4.12Å; T249-M316 HydrophobicContact CG2-CG 3.96Å; T249-M316 HydrophobicContact CG2-SD 4.02Å; M261-M316 HydrophobicContact CE-SD 4.14Å; L312-M316 HydrophobicContact CD1-CE 3.97Å; L312-M316 HydrophobicContact CD1-CG 4.49Å; L312-M316 VanDerWaalsContact O-CG 3.25Å; L312-M316 WeakPolarHBondContact O-CG 3.32Å; L312-M316 PolarHBondContact O-N 2.83Å; Q313-M316 PolarHBondContact O-N 2.97Å; M316-S320 WeakPolarHBondContact O-CB 3.26Å; M316-S320 PolarHBondContact O-N 3.23Å
317	L	88.2	Confident	89.6	Confident	41 Å²	41	40.3 Å²	40.3	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-49	175.1	-179.6	60.2	0	0	0	111.2	Q313 D314 T315 L319 S320 Q321 D901	Q313-L317 PolarHBondContact O-N 3.49Å; D314-L317 PolarHBondContact O-N 2.96Å; T315-L317 VanDerWaalsContact C-N 3.34Å; T315-L317 PolarHBondContact O-N 2.98Å; L317-L319 PolarHBondContact O-N 2.89Å; L317-S320 PolarHBondContact O-N 3.25Å; L317-S320 VanDerWaalsContact O-N 3.11Å; L317-S320 PolarHBondContact O-OG 3.42Å; L317-Q321 WeakPolarHBondContact O-CG 3.16Å; L317-Q321 PolarHBondContact O-N 2.99Å; L317-Q321 VanDerWaalsContact O-N 3.09Å; L317-D901 HydrophobicContact CD1-CB 4.49Å
318	L	91	Very high	89.7	Confident	53 Å²	53	37 Å²	37	28%	0.277	19%	0.189	S	C	.	.	H	α-helix	trans	-53.7	-51.1	176.3	174.4	65.1	0	0	0	111.5	D314 T315 S320 Q321 M322	D314-L318 WeakPolarHBondContact O-CB 3.46Å; D314-L318 PolarHBondContact O-N 3.28Å; T315-L318 PolarHBondContact O-N 3.48Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 2.99Å; L318-Q321 PolarHBondContact O-N 3.5Å; L318-M322 HydrophobicContact CD1-CG 4.4Å; L318-M322 HydrophobicContact CD1-SD 3.88Å; L318-M322 HydrophobicContact CG-SD 4.14Å; L318-M322 WeakPolarHBondContact O-CG 3.4Å; L318-M322 PolarHBondContact O-N 3.39Å; L318-M322 VanDerWaalsContact O-N 3.14Å
319	L	93.7	Very high	89.7	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-34.5	179.7	-67	175.4	0	0	0	112.2	L210 M261 V264 L265 T315 L317 Q321 M322 G323	L210-L319 HydrophobicContact CD1-CD1 3.53Å; M261-L319 HydrophobicContact CB-CB 4.24Å; M261-L319 HydrophobicContact CE-CB 3.88Å; M261-L319 HydrophobicContact CG-CB 4.34Å; V264-L319 HydrophobicContact CB-CD2 4.11Å; V264-L319 HydrophobicContact CG1-CD2 3.9Å; L265-L319 HydrophobicContact CD1-CD1 3.82Å; L265-L319 HydrophobicContact CD1-CD2 3.53Å; L265-L319 HydrophobicContact CD1-CG 4.34Å; T315-L319 HydrophobicContact CG2-CD1 4.29Å; T315-L319 WeakPolarHBondContact O-CG 3.33Å; T315-L319 PolarHBondContact O-N 3.37Å; L317-L319 PolarHBondContact O-N 2.89Å; L319-Q321 VanDerWaalsContact C-N 3.26Å; L319-Q321 PolarHBondContact O-N 3.2Å; L319-M322 PolarHBondContact O-N 3.36Å; L319-G323 WeakPolarHBondContact O-CA 3.34Å; L319-G323 PolarHBondContact O-N 3.4Å
320	S	91.4	Very high	89.9	Confident	19 Å²	19	35.4 Å²	35.4	13%	0.133	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-28.7	176.5	79.1	0	0	0	0	113	M316 L317 L318 P324	M316-S320 WeakPolarHBondContact O-CB 3.26Å; M316-S320 PolarHBondContact O-N 3.23Å; L317-S320 PolarHBondContact O-N 3.25Å; L317-S320 VanDerWaalsContact O-N 3.11Å; L317-S320 PolarHBondContact O-OG 3.42Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 2.99Å; S320-P324 WeakPolarHBondContact O-CD 3.5Å
321	Q	88.5	Confident	90	Very high	64 Å²	64	29.3 Å²	29.3	30%	0.299	15%	0.149	S	C	.	.	H	α-helix	trans	-77.7	-38.6	175.9	-69.2	172.3	-9.6	0	0	112.1	L317 L318 L319 D901 R904	L317-Q321 WeakPolarHBondContact O-CG 3.16Å; L317-Q321 PolarHBondContact O-N 2.99Å; L317-Q321 VanDerWaalsContact O-N 3.09Å; L318-Q321 PolarHBondContact O-N 3.5Å; L319-Q321 VanDerWaalsContact C-N 3.26Å; L319-Q321 PolarHBondContact O-N 3.2Å; Q321-D901 PolarHBondContact NE2-OD2 3.02Å; Q321-R904 PolarHBondContact O-NE 3Å
322	M	90	Very high	90	Very high	62 Å²	62	26.5 Å²	26.5	31%	0.305	14%	0.136	S	C	.	.	H	α-helix	trans	-83.7	-27.3	-178.9	-62.2	-177.7	70.2	0	0	113.8	I203 V264 L318 L319 D325 A326	I203-M322 HydrophobicContact CD1-CE 3.83Å; I203-M322 HydrophobicContact CG1-CE 4.28Å; V264-M322 HydrophobicContact CG1-CB 4.27Å; V264-M322 HydrophobicContact CG1-CE 4.05Å; V264-M322 HydrophobicContact CG1-SD 4.33Å; V264-M322 HydrophobicContact CG2-CB 3.84Å; L318-M322 HydrophobicContact CD1-CG 4.4Å; L318-M322 HydrophobicContact CD1-SD 3.88Å; L318-M322 HydrophobicContact CG-SD 4.14Å; L318-M322 WeakPolarHBondContact O-CG 3.4Å; L318-M322 PolarHBondContact O-N 3.39Å; L318-M322 VanDerWaalsContact O-N 3.14Å; L319-M322 PolarHBondContact O-N 3.36Å; M322-D325 PolarHBondContact O-N 2.9Å; M322-A326 PolarHBondContact O-N 3.13Å
323	G	91.6	Very high	89.8	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-56.9	-44.2	-171.4	0	0	0	0	0	115.3	G260 L319 D325 A326 H327	G260-G323 CarbonylContact C-O 3.48Å; G260-G323 WeakPolarHBondContact CA-O 3.41Å; G260-G323 WeakPolarHBondContact O-CA 3.24Å; L319-G323 WeakPolarHBondContact O-CA 3.34Å; L319-G323 PolarHBondContact O-N 3.4Å; G323-D325 PolarHBondContact O-N 3.17Å; G323-A326 PolarHBondContact O-N 2.96Å; G323-H327 WeakPolarHBondContact O-CB 3.38Å; G323-H327 PolarHBondContact O-N 3.46Å
324	P	90.7	Very high	89.8	Confident	15 Å²	15	31.6 Å²	31.6	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-35	-176.6	-16.4	28.8	0	0	0	113.3	S320 H327 M328 E350	S320-P324 WeakPolarHBondContact O-CD 3.5Å; P324-H327 WeakPolarHBondContact O-CB 3.37Å; P324-H327 PolarHBondContact O-N 2.88Å; P324-M328 PolarHBondContact O-N 2.93Å; P324-E350 VanDerWaalsContact CB-CD 3.47Å; P324-E350 WeakPolarHBondContact CB-OE1 3.15Å
325	D	85.3	Confident	89.8	Confident	59 Å²	59	29.6 Å²	29.6	32%	0.316	15%	0.148	S	C	.	.	H	α-helix	trans	-65.1	-41.5	174.3	-66.1	-50.8	0	0	0	111.3	M322 G323 H327 M328 R329 R904	M322-D325 PolarHBondContact O-N 2.9Å; G323-D325 PolarHBondContact O-N 3.17Å; D325-H327 VanDerWaalsContact C-N 3.32Å; D325-M328 PolarHBondContact O-N 3.26Å; D325-R329 WeakPolarHBondContact O-CG 3.28Å; D325-R329 PolarHBondContact O-N 2.68Å; D325-R329 PolarHBondContact O-NH1 2.93Å; D325-R904 IonicContact OD1-NH2 3.34Å; D325-R904 PolarHBondContact OD1-NH2 3.49Å; D325-R904 IonicContact OD2-CZ 2.65Å; D325-R904 IonicContact OD2-NH2 2.96Å; D325-R904 PolarHBondContact OD2-NH2 2.92Å
326	A	89.1	Confident	89.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-40.3	174.4	0	0	0	0	0	111.5	Q263 V264 E267 M322 G323 R329 M330	Q263-A326 HydrophobicContact CB-CB 4.48Å; Q263-A326 HydrophobicContact CG-CB 4.26Å; V264-A326 HydrophobicContact CG2-CB 3.7Å; E267-A326 VanDerWaalsContact OE1-CB 3.27Å; E267-A326 WeakPolarHBondContact OE1-CB 3.25Å; M322-A326 PolarHBondContact O-N 3.13Å; G323-A326 PolarHBondContact O-N 2.96Å; A326-R329 PolarHBondContact O-N 3.46Å; A326-M330 WeakPolarHBondContact O-CB 3.07Å; A326-M330 PolarHBondContact O-N 3.01Å
327	H	92.2	Very high	89.4	Confident	17 Å²	17	35.4 Å²	35.4	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-47.5	176	-152.2	148.9	0	0	0	111.3	T256 G323 P324 D325 R329 M330 I331 I346	T256-H327 VanDerWaalsContact CG2-CE1 3.47Å; T256-H327 WeakPolarHBondContact CG2-CE1 3.39Å; T256-H327 PolarHBondContact O-CE1 3.43Å; T256-H327 PolarHBondContact O-ND1 3.48Å; T256-H327 VanDerWaalsContact O-ND1 3.12Å; G323-H327 WeakPolarHBondContact O-CB 3.38Å; G323-H327 PolarHBondContact O-N 3.46Å; P324-H327 WeakPolarHBondContact O-CB 3.37Å; P324-H327 PolarHBondContact O-N 2.88Å; D325-H327 VanDerWaalsContact C-N 3.32Å; H327-R329 PolarHBondContact O-N 2.9Å; H327-M330 WeakPolarHBondContact CD2-CE 3.17Å; H327-M330 WeakPolarHBondContact NE2-CE 3.15Å; H327-M330 WeakPolarHBondContact O-CB 3.31Å; H327-M330 PolarHBondContact O-N 2.69Å; H327-I331 VanDerWaalsContact CD2-CD1 3.41Å; H327-I331 WeakPolarHBondContact CD2-CD1 3.44Å; H327-I331 WeakPolarHBondContact O-CG1 3.36Å; H327-I331 PolarHBondContact O-N 3.07Å; H327-I346 HydrophobicContact CB-CG2 4.46Å
328	M	91.8	Very high	89.5	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-46.3	176.1	170.3	-178.8	64.1	0	0	111.2	P324 D325 M330 I331 L332 I347 E350 L351 I354	P324-M328 PolarHBondContact O-N 2.93Å; D325-M328 PolarHBondContact O-N 3.26Å; M328-M330 VanDerWaalsContact C-N 3.32Å; M328-M330 PolarHBondContact O-N 2.88Å; M328-I331 PolarHBondContact O-N 3.26Å; M328-L332 HydrophobicContact CG-CD1 3.47Å; M328-L332 VanDerWaalsContact CG-CD1 3.47Å; M328-L332 HydrophobicContact CG-CG 3.95Å; M328-L332 WeakPolarHBondContact O-CB 3.31Å; M328-L332 VanDerWaalsContact O-CG 3.27Å; M328-L332 WeakPolarHBondContact O-CG 3.48Å; M328-L332 PolarHBondContact O-N 2.81Å; M328-L332 HydrophobicContact SD-CD1 4.03Å; M328-I347 HydrophobicContact CG-CG1 4.38Å; M328-E350 HydrophobicContact CB-CB 4.24Å; M328-E350 HydrophobicContact CB-CG 3.79Å; M328-E350 HydrophobicContact CE-CB 3.94Å; M328-E350 HydrophobicContact CE-CG 4.47Å; M328-E350 HydrophobicContact CG-CB 4.32Å; M328-E350 HydrophobicContact CG-CG 4.4Å; M328-E350 HydrophobicContact SD-CB 3.37Å; M328-E350 WeakPolarHBondContact SD-CB 3.39Å; M328-E350 HydrophobicContact SD-CG 4.04Å; M328-L351 HydrophobicContact SD-CD2 4.38Å; M328-I354 HydrophobicContact CE-CD1 4.47Å
329	R	88.9	Confident	89.6	Confident	44 Å²	44	38.8 Å²	38.8	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-42.6	176.6	-75.6	-170	-65.2	-84.9	4.1	112.4	E267 D325 A326 H327 I331 L332 R333 F374	E267-R329 IonicContact OE1-CZ 2.74Å; E267-R329 IonicContact OE1-NE 2.62Å; E267-R329 IonicContact OE1-NH2 3.98Å; E267-R329 PolarHBondContact OE1-NH2 3.47Å; E267-R329 IonicContact OE2-CZ 3.55Å; E267-R329 IonicContact OE2-NE 2.78Å; E267-R329 PolarHBondContact OE2-NE 3.26Å; E267-R329 IonicContact OE2-NH2 2.72Å; E267-R329 PolarHBondContact OE2-NH2 2.98Å; D325-R329 WeakPolarHBondContact O-CG 3.28Å; D325-R329 PolarHBondContact O-N 2.68Å; D325-R329 PolarHBondContact O-NH1 2.93Å; A326-R329 PolarHBondContact O-N 3.46Å; H327-R329 PolarHBondContact O-N 2.9Å; R329-I331 VanDerWaalsContact C-N 3.34Å; R329-I331 PolarHBondContact O-N 3.02Å; R329-L332 PolarHBondContact O-N 2.77Å; R329-R333 WeakPolarHBondContact O-CG 3.41Å; R329-R333 PolarHBondContact O-N 2.98Å; R329-F374 HydrophobicContact CB-CE2 4.4Å; R329-F374 HydrophobicContact CG-CD2 4.06Å; R329-F374 HydrophobicContact CG-CE2 3.65Å; R329-F374 HydrophobicContact CG-CZ 4.18Å
330	M	89.5	Confident	89.5	Confident	22 Å²	22	42.1 Å²	42.1	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-46.6	176	177.3	-174.8	67.5	0	0	111.1	V259 Q263 H279 A326 H327 M328	V259-M330 HydrophobicContact CG1-CE 4.09Å; Q263-M330 HydrophobicContact CG-CB 4.13Å; Q263-M330 HydrophobicContact CG-SD 4.14Å; H279-M330 HydrophobicContact CB-CG 3.69Å; H279-M330 HydrophobicContact CB-SD 3.43Å; H279-M330 WeakPolarHBondContact CB-SD 3.41Å; A326-M330 WeakPolarHBondContact O-CB 3.07Å; A326-M330 PolarHBondContact O-N 3.01Å; H327-M330 WeakPolarHBondContact CD2-CE 3.17Å; H327-M330 WeakPolarHBondContact NE2-CE 3.15Å; H327-M330 WeakPolarHBondContact O-CB 3.31Å; H327-M330 PolarHBondContact O-N 2.69Å; M328-M330 VanDerWaalsContact C-N 3.32Å; M328-M330 PolarHBondContact O-N 2.88Å
331	I	89.9	Confident	89.4	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-69.7	-41.9	-178.8	-65.3	165.3	0	0	0	111.4	H327 M328 R329 R333 K334 D343 I346 I347	H327-I331 VanDerWaalsContact CD2-CD1 3.41Å; H327-I331 WeakPolarHBondContact CD2-CD1 3.44Å; H327-I331 WeakPolarHBondContact O-CG1 3.36Å; H327-I331 PolarHBondContact O-N 3.07Å; M328-I331 PolarHBondContact O-N 3.26Å; R329-I331 VanDerWaalsContact C-N 3.34Å; R329-I331 PolarHBondContact O-N 3.02Å; I331-R333 PolarHBondContact O-N 3.3Å; I331-R333 VanDerWaalsContact O-N 3.13Å; I331-K334 HydrophobicContact CG2-CD 4.49Å; I331-K334 WeakPolarHBondContact O-CB 3.29Å; I331-K334 WeakPolarHBondContact O-CG 3.49Å; I331-K334 PolarHBondContact O-N 3.21Å; I331-D343 HydrophobicContact CG2-CB 3.44Å; I331-D343 VanDerWaalsContact CG2-CB 3.44Å; I331-I346 HydrophobicContact CD1-CB 3.77Å; I331-I346 HydrophobicContact CD1-CD1 3.68Å; I331-I346 HydrophobicContact CD1-CG1 4.34Å; I331-I346 HydrophobicContact CD1-CG2 3.6Å; I331-I347 HydrophobicContact CB-CG1 4.48Å; I331-I347 HydrophobicContact CG2-CD1 3.67Å; I331-I347 HydrophobicContact CG2-CG1 4.03Å
332	L	90	Very high	89.4	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-14.8	-177.6	-73.8	172.6	0	0	0	114	M328 R329 K334 R339 I347 L372 F374 L446	M328-L332 HydrophobicContact CG-CD1 3.47Å; M328-L332 VanDerWaalsContact CG-CD1 3.47Å; M328-L332 HydrophobicContact CG-CG 3.95Å; M328-L332 WeakPolarHBondContact O-CB 3.31Å; M328-L332 VanDerWaalsContact O-CG 3.27Å; M328-L332 WeakPolarHBondContact O-CG 3.48Å; M328-L332 PolarHBondContact O-N 2.81Å; M328-L332 HydrophobicContact SD-CD1 4.03Å; R329-L332 PolarHBondContact O-N 2.77Å; L332-K334 PolarHBondContact O-N 3.22Å; L332-R339 PolarHBondContact O-NH2 2.93Å; L332-I347 HydrophobicContact CD2-CD1 3.64Å; L332-I347 HydrophobicContact CD2-CG1 4.03Å; L332-I347 HydrophobicContact CD2-CG2 4.12Å; L332-I347 HydrophobicContact CG-CD1 4.19Å; L332-I347 HydrophobicContact CG-CG1 4.2Å; L332-L372 HydrophobicContact CD2-CB 4.06Å; L332-L372 WeakPolarHBondContact CD2-O 3.49Å; L332-F374 HydrophobicContact CB-CB 3.58Å; L332-F374 HydrophobicContact CD1-CB 4.34Å; L332-L446 HydrophobicContact CD1-CD2 3.41Å; L332-L446 VanDerWaalsContact CD1-CD2 3.41Å
333	R	86.4	Confident	89.4	Confident	63 Å²	63	46.4 Å²	46.4	24%	0.238	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.9	168.4	-69.5	175.7	-169.4	-170.2	7.6	112.8	P191 H279 R329 I331 F374	P191-R333 PolarHBondContact O-NH1 2.75Å; H279-R333 PolarHBondContact CE1-NH1 2.87Å; R329-R333 WeakPolarHBondContact O-CG 3.41Å; R329-R333 PolarHBondContact O-N 2.98Å; I331-R333 PolarHBondContact O-N 3.3Å; I331-R333 VanDerWaalsContact O-N 3.13Å; R333-F374 HydrophobicContact CG-CD1 4.34Å
334	K	87	Confident	89.3	Confident	77 Å²	77	49.2 Å²	49.2	34%	0.335	28%	0.277	S	S	.	.	S	Bend	trans	-70.6	138.4	171.3	-61.6	173.2	179	173	0	109.7	I331 L332 R339 D343	I331-K334 HydrophobicContact CG2-CD 4.49Å; I331-K334 WeakPolarHBondContact O-CB 3.29Å; I331-K334 WeakPolarHBondContact O-CG 3.49Å; I331-K334 PolarHBondContact O-N 3.21Å; L332-K334 PolarHBondContact O-N 3.22Å; K334-R339 HydrophobicContact CB-CG 4.26Å; K334-R339 PolarHBondContact O-NE 2.83Å; K334-R339 PolarHBondContact O-NH2 2.93Å; K334-R339 VanDerWaalsContact O-NH2 3.08Å; K334-D343 WeakPolarHBondContact CD-OD2 3.5Å; K334-D343 IonicContact NZ-OD1 2.72Å; K334-D343 PolarHBondContact NZ-OD1 3.36Å; K334-D343 IonicContact NZ-OD2 3.44Å; K334-D343 PolarHBondContact NZ-OD2 2.84Å
335	P	86.9	Confident	89.3	Confident	66 Å²	66	53.9 Å²	53.9	43%	0.429	30%	0.297	S	S	.	.			trans	-55	144	170.2	-24.2	33.6	0	0	0	111.7	G337 Q338	P335-G337 VanDerWaalsContact C-N 3.32Å; P335-G337 PolarHBondContact O-N 2.88Å; P335-Q338 HydrophobicContact CB-CG 4.35Å; P335-Q338 HydrophobicContact CG-CG 4.49Å; P335-Q338 PolarHBondContact O-N 2.85Å
336	P	88.8	Confident	89.4	Confident	50 Å²	50	52.4 Å²	52.4	33%	0.325	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-40.7	-52.3	177.9	-38.3	40.9	0	0	0	115	Q338 R339 G370	P336-Q338 PolarHBondContact O-N 2.8Å; P336-Q338 VanDerWaalsContact O-N 3.15Å; P336-R339 PolarHBondContact O-N 2.91Å; P336-G370 WeakPolarHBondContact CA-O 3.29Å; P336-G370 WeakPolarHBondContact CB-O 3.46Å
337	G	86.8	Confident	89.5	Confident	82 Å²	82	52.4 Å²	52.4	85%	0.845	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-72.5	-2.5	-177.6	0	0	0	0	0	116.2	P335	P335-G337 VanDerWaalsContact C-N 3.32Å; P335-G337 PolarHBondContact O-N 2.88Å
338	Q	90.8	Very high	89.4	Confident	140 Å²	140	53.3 Å²	53.3	65%	0.654	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-109.8	3.3	-179.5	-64.2	-177.1	1.5	0	0	113.3	P335 P336	P335-Q338 HydrophobicContact CB-CG 4.35Å; P335-Q338 HydrophobicContact CG-CG 4.49Å; P335-Q338 PolarHBondContact O-N 2.85Å; P336-Q338 PolarHBondContact O-N 2.8Å; P336-Q338 VanDerWaalsContact O-N 3.15Å
339	R	92.4	Very high	89.2	Confident	24 Å²	24	56.1 Å²	56.1	9%	0.091	31%	0.305	C	S	.	.			trans	-77	132.8	179.1	-65.6	174.7	-174	169.1	6	110.3	L332 K334 P336 D343 L344 A369 L372	L332-R339 PolarHBondContact O-NH2 2.93Å; K334-R339 HydrophobicContact CB-CG 4.26Å; K334-R339 PolarHBondContact O-NE 2.83Å; K334-R339 PolarHBondContact O-NH2 2.93Å; K334-R339 VanDerWaalsContact O-NH2 3.08Å; P336-R339 PolarHBondContact O-N 2.91Å; R339-D343 HydrophobicContact CB-CB 4.02Å; R339-L344 HydrophobicContact CB-CD2 3.93Å; R339-L344 HydrophobicContact CB-CG 4.31Å; R339-A369 PolarHBondContact NH1-O 2.89Å; R339-L372 PolarHBondContact NH1-O 2.81Å; R339-L372 PolarHBondContact NH2-O 3.44Å
340	T	92.4	Very high	89.2	Confident	72 Å²	72	54.1 Å²	54.1	44%	0.442	30%	0.298	S	S	.	.			trans	-76.9	170.6	173.5	69	0	0	0	0	111.1	D342 D343 L344	T340-D342 VanDerWaalsContact C-N 3.29Å; T340-D342 PolarHBondContact O-N 3.32Å; T340-D343 PolarHBondContact N-OD2 3.01Å; T340-D343 WeakPolarHBondContact O-CB 3.38Å; T340-D343 PolarHBondContact O-N 3.09Å; T340-D343 PolarHBondContact OG1-N 2.89Å; T340-D343 VanDerWaalsContact OG1-N 3.14Å; T340-D343 PolarHBondContact OG1-OD2 3.11Å; T340-L344 WeakPolarHBondContact O-CG 3.34Å; T340-L344 PolarHBondContact O-N 3.04Å; T340-L344 VanDerWaalsContact O-N 3.12Å
341	V	88.6	Confident	89.2	Confident	114 Å²	114	53.1 Å²	53.1	69%	0.691	29%	0.293	S	S	*	.	H	α-helix	trans	-60.4	-42	174.9	-179.8	0	0	0	0	111.2	D343 L344 E345	V341-D343 VanDerWaalsContact C-N 3.33Å; V341-D343 PolarHBondContact O-N 2.84Å; V341-L344 PolarHBondContact O-N 3.3Å; V341-E345 PolarHBondContact O-N 2.83Å; V341-E345 VanDerWaalsContact O-N 3.07Å
342	D	87.9	Confident	88.9	Confident	109 Å²	109	56.9 Å²	56.9	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-64	-38.3	177	-58.2	-13.7	0	0	0	111.7	T340 L344 E345 I346	T340-D342 VanDerWaalsContact C-N 3.29Å; T340-D342 PolarHBondContact O-N 3.32Å; D342-L344 VanDerWaalsContact C-N 3.32Å; D342-L344 PolarHBondContact O-N 2.87Å; D342-E345 PolarHBondContact O-N 3.41Å; D342-I346 VanDerWaalsContact O-CG1 3.3Å; D342-I346 WeakPolarHBondContact O-CG1 3.32Å; D342-I346 PolarHBondContact O-N 2.88Å
343	D	90.1	Very high	88.7	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.064	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-45.5	175	-73.2	-32.4	0	0	0	111	I331 K334 R339 T340 V341 I346 I347	I331-D343 HydrophobicContact CG2-CB 3.44Å; I331-D343 VanDerWaalsContact CG2-CB 3.44Å; K334-D343 WeakPolarHBondContact CD-OD2 3.5Å; K334-D343 IonicContact NZ-OD1 2.72Å; K334-D343 PolarHBondContact NZ-OD1 3.36Å; K334-D343 IonicContact NZ-OD2 3.44Å; K334-D343 PolarHBondContact NZ-OD2 2.84Å; R339-D343 HydrophobicContact CB-CB 4.02Å; T340-D343 PolarHBondContact N-OD2 3.01Å; T340-D343 WeakPolarHBondContact O-CB 3.38Å; T340-D343 PolarHBondContact O-N 3.09Å; T340-D343 PolarHBondContact OG1-N 2.89Å; T340-D343 VanDerWaalsContact OG1-N 3.14Å; T340-D343 PolarHBondContact OG1-OD2 3.11Å; V341-D343 VanDerWaalsContact C-N 3.33Å; V341-D343 PolarHBondContact O-N 2.84Å; D343-I346 PolarHBondContact O-N 3.08Å; D343-I347 VanDerWaalsContact O-CG1 3.31Å; D343-I347 WeakPolarHBondContact O-CG1 3.37Å; D343-I347 PolarHBondContact O-N 3.39Å
344	L	90.9	Very high	88.6	Confident	59 Å²	59	58.2 Å²	58.2	31%	0.309	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-38.3	-179.6	-63.2	176.2	0	0	0	112.1	R339 T340 V341 D342 Y348 A369	R339-L344 HydrophobicContact CB-CD2 3.93Å; R339-L344 HydrophobicContact CB-CG 4.31Å; T340-L344 WeakPolarHBondContact O-CG 3.34Å; T340-L344 PolarHBondContact O-N 3.04Å; T340-L344 VanDerWaalsContact O-N 3.12Å; V341-L344 PolarHBondContact O-N 3.3Å; D342-L344 VanDerWaalsContact C-N 3.32Å; D342-L344 PolarHBondContact O-N 2.87Å; L344-Y348 VanDerWaalsContact O-CB 3.24Å; L344-Y348 WeakPolarHBondContact O-CB 3.49Å; L344-Y348 PolarHBondContact O-N 3.01Å; L344-A369 HydrophobicContact CD2-CB 4.45Å; L344-A369 WeakPolarHBondContact CD2-O 3.45Å
345	E	88.8	Confident	88.3	Confident	114 Å²	114	60.5 Å²	60.5	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-44.7	177.1	-173.3	163.9	-152.2	0	0	111.4	V341 D342 I347 Y348 E349	V341-E345 PolarHBondContact O-N 2.83Å; V341-E345 VanDerWaalsContact O-N 3.07Å; D342-E345 PolarHBondContact O-N 3.41Å; E345-I347 PolarHBondContact O-N 2.93Å; E345-Y348 PolarHBondContact O-N 2.68Å; E345-E349 WeakPolarHBondContact O-CG 3.35Å; E345-E349 PolarHBondContact O-N 3.45Å
346	I	88.6	Confident	87.9	Confident	28 Å²	28	57.8 Å²	57.8	14%	0.144	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-46.6	176.7	-65.9	163.6	0	0	0	110.7	T256 H327 I331 D342 D343 E349 E350	T256-I346 HydrophobicContact CG2-CD1 3.63Å; T256-I346 HydrophobicContact CG2-CG1 4.37Å; H327-I346 HydrophobicContact CB-CG2 4.46Å; I331-I346 HydrophobicContact CD1-CB 3.77Å; I331-I346 HydrophobicContact CD1-CD1 3.68Å; I331-I346 HydrophobicContact CD1-CG1 4.34Å; I331-I346 HydrophobicContact CD1-CG2 3.6Å; D342-I346 VanDerWaalsContact O-CG1 3.3Å; D342-I346 WeakPolarHBondContact O-CG1 3.32Å; D342-I346 PolarHBondContact O-N 2.88Å; D343-I346 PolarHBondContact O-N 3.08Å; I346-E349 PolarHBondContact O-N 2.65Å; I346-E350 WeakPolarHBondContact O-CG 3.43Å; I346-E350 PolarHBondContact O-N 3Å
347	I	90.8	Very high	87.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-50.2	176.5	-65.6	162.3	0	0	0	109.8	M328 I331 L332 D343 E345 E349 E350 L351 A369	M328-I347 HydrophobicContact CG-CG1 4.38Å; I331-I347 HydrophobicContact CB-CG1 4.48Å; I331-I347 HydrophobicContact CG2-CD1 3.67Å; I331-I347 HydrophobicContact CG2-CG1 4.03Å; L332-I347 HydrophobicContact CD2-CD1 3.64Å; L332-I347 HydrophobicContact CD2-CG1 4.03Å; L332-I347 HydrophobicContact CD2-CG2 4.12Å; L332-I347 HydrophobicContact CG-CD1 4.19Å; L332-I347 HydrophobicContact CG-CG1 4.2Å; D343-I347 VanDerWaalsContact O-CG1 3.31Å; D343-I347 WeakPolarHBondContact O-CG1 3.37Å; D343-I347 PolarHBondContact O-N 3.39Å; E345-I347 PolarHBondContact O-N 2.93Å; I347-E349 VanDerWaalsContact C-N 3.33Å; I347-E349 PolarHBondContact O-N 2.99Å; I347-E350 WeakPolarHBondContact O-CB 3.4Å; I347-E350 PolarHBondContact O-N 2.85Å; I347-L351 HydrophobicContact CG2-CD1 4.21Å; I347-L351 HydrophobicContact CG2-CD2 4.13Å; I347-L351 HydrophobicContact CG2-CG 4.07Å; I347-L351 WeakPolarHBondContact O-CG 3.39Å; I347-L351 PolarHBondContact O-N 3.27Å; I347-A369 HydrophobicContact CB-CB 3.99Å; I347-A369 HydrophobicContact CG2-CB 3.73Å
348	Y	91	Very high	87.3	Confident	36 Å²	36	54.5 Å²	54.5	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-42.9	-178.4	167.3	-98.2	0	0	0	112.9	L344 E345 E350 L351 L352 T362 K365 R366	L344-Y348 VanDerWaalsContact O-CB 3.24Å; L344-Y348 WeakPolarHBondContact O-CB 3.49Å; L344-Y348 PolarHBondContact O-N 3.01Å; E345-Y348 PolarHBondContact O-N 2.68Å; Y348-E350 PolarHBondContact O-N 3.47Å; Y348-L351 PolarHBondContact O-N 3.32Å; Y348-L352 HydrophobicContact CE1-CD1 4.12Å; Y348-L352 HydrophobicContact CE2-CD2 4.25Å; Y348-L352 PolarHBondContact O-N 2.92Å; Y348-T362 HydrophobicContact CE2-CG2 4.19Å; Y348-T362 VanDerWaalsContact OH-CG2 3.3Å; Y348-T362 WeakPolarHBondContact OH-CG2 3.35Å; Y348-K365 HydrophobicContact CD2-CB 4.07Å; Y348-K365 HydrophobicContact CE2-CB 3.92Å; Y348-R366 HydrophobicContact CD2-CB 4.39Å; Y348-R366 HydrophobicContact CD2-CG 3.51Å; Y348-R366 HydrophobicContact CE2-CG 3.58Å; Y348-R366 HydrophobicContact CG-CG 4.16Å
349	E	86.9	Confident	86.5	Confident	61 Å²	61	51.7 Å²	51.7	29%	0.285	27%	0.267	S	S	.	.	H	α-helix	trans	-56.4	-40.3	175.8	-75.3	-168	174.1	0	0	112	E345 I346 I347 L352 H353 R907	E345-E349 WeakPolarHBondContact O-CG 3.35Å; E345-E349 PolarHBondContact O-N 3.45Å; I346-E349 PolarHBondContact O-N 2.65Å; I347-E349 VanDerWaalsContact C-N 3.33Å; I347-E349 PolarHBondContact O-N 2.99Å; E349-L352 WeakPolarHBondContact O-CB 3.29Å; E349-L352 PolarHBondContact O-N 3.44Å; E349-H353 PolarHBondContact O-CD2 3.22Å; E349-R907 IonicContact OE2-CZ 3.91Å; E349-R907 VanDerWaalsContact OE2-CZ 3.31Å; E349-R907 IonicContact OE2-NH1 2.69Å; E349-R907 PolarHBondContact OE2-NH1 3.04Å; E349-R907 IonicContact OE2-NH2 2.79Å; E349-R907 PolarHBondContact OE2-NH2 3.48Å
350	E	89.6	Confident	85.9	Confident	3 Å²	3	52.2 Å²	52.2	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-72.7	-35.7	178.4	-62.5	-54	114.2	0	0	112.8	P324 M328 I346 I347 Y348 L352 H353 R904	P324-E350 VanDerWaalsContact CB-CD 3.47Å; P324-E350 WeakPolarHBondContact CB-OE1 3.15Å; M328-E350 HydrophobicContact CB-CB 4.24Å; M328-E350 HydrophobicContact CB-CG 3.79Å; M328-E350 HydrophobicContact CE-CB 3.94Å; M328-E350 HydrophobicContact CE-CG 4.47Å; M328-E350 HydrophobicContact CG-CB 4.32Å; M328-E350 HydrophobicContact CG-CG 4.4Å; M328-E350 HydrophobicContact SD-CB 3.37Å; M328-E350 WeakPolarHBondContact SD-CB 3.39Å; M328-E350 HydrophobicContact SD-CG 4.04Å; I346-E350 WeakPolarHBondContact O-CG 3.43Å; I346-E350 PolarHBondContact O-N 3Å; I347-E350 WeakPolarHBondContact O-CB 3.4Å; I347-E350 PolarHBondContact O-N 2.85Å; Y348-E350 PolarHBondContact O-N 3.47Å; E350-L352 PolarHBondContact O-N 3.39Å; E350-L352 VanDerWaalsContact O-N 3.15Å; E350-H353 WeakPolarHBondContact O-CB 3.35Å; E350-H353 PolarHBondContact O-N 2.88Å; E350-R904 IonicContact OE1-CZ 3.01Å; E350-R904 IonicContact OE1-NH1 3.19Å; E350-R904 PolarHBondContact OE1-NH1 3.3Å; E350-R904 IonicContact OE2-CZ 2.83Å; E350-R904 IonicContact OE2-NH1 2.88Å; E350-R904 PolarHBondContact OE2-NH1 3.42Å; E350-R904 IonicContact OE2-NH2 3.84Å; E350-R904 PolarHBondContact OE2-NH2 3.27Å
351	L	89.3	Confident	85.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-25.1	177.1	-58	-172.1	0	0	0	112.7	M328 I347 Y348 H353 I354 L357 K365 L368 A369 L372 L446	M328-L351 HydrophobicContact SD-CD2 4.38Å; I347-L351 HydrophobicContact CG2-CD1 4.21Å; I347-L351 HydrophobicContact CG2-CD2 4.13Å; I347-L351 HydrophobicContact CG2-CG 4.07Å; I347-L351 WeakPolarHBondContact O-CG 3.39Å; I347-L351 PolarHBondContact O-N 3.27Å; Y348-L351 PolarHBondContact O-N 3.32Å; L351-H353 PolarHBondContact O-N 3.06Å; L351-I354 HydrophobicContact CD2-CD1 3.82Å; L351-I354 PolarHBondContact O-N 3.1Å; L351-L357 HydrophobicContact CB-CD1 3.87Å; L351-L357 HydrophobicContact CD1-CD1 4.28Å; L351-L357 HydrophobicContact CD2-CD1 3.7Å; L351-L357 HydrophobicContact CG-CD1 4.12Å; L351-K365 VanDerWaalsContact CD1-O 3.3Å; L351-K365 WeakPolarHBondContact CD1-O 3.17Å; L351-L368 HydrophobicContact CD1-CB 4.04Å; L351-A369 HydrophobicContact CD1-CB 4.26Å; L351-L372 HydrophobicContact CD1-CD1 3.59Å; L351-L372 HydrophobicContact CD2-CD1 3.48Å; L351-L372 VanDerWaalsContact CD2-CD1 3.48Å; L351-L372 HydrophobicContact CG-CD1 4.17Å; L351-L446 HydrophobicContact CD2-CD1 4.37Å
352	L	83.8	Confident	84.9	Confident	80 Å²	80	48.1 Å²	48.1	42%	0.419	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.9	174.2	-61.7	175.7	0	0	0	112.9	Y348 E349 E350 K365	Y348-L352 HydrophobicContact CE1-CD1 4.12Å; Y348-L352 HydrophobicContact CE2-CD2 4.25Å; Y348-L352 PolarHBondContact O-N 2.92Å; E349-L352 WeakPolarHBondContact O-CB 3.29Å; E349-L352 PolarHBondContact O-N 3.44Å; E350-L352 PolarHBondContact O-N 3.39Å; E350-L352 VanDerWaalsContact O-N 3.15Å; L352-K365 HydrophobicContact CD2-CD 4.1Å
353	H	85.3	Confident	84.5	Confident	75 Å²	75	44.1 Å²	44.1	35%	0.347	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.3	-178.6	-57.8	-53.9	0	0	0	113.3	E349 E350 L351 K355 R904	E349-H353 PolarHBondContact O-CD2 3.22Å; E350-H353 WeakPolarHBondContact O-CB 3.35Å; E350-H353 PolarHBondContact O-N 2.88Å; L351-H353 PolarHBondContact O-N 3.06Å; H353-K355 PolarHBondContact O-N 2.83Å; H353-R904 PolarHBondContact CE1-O 3.05Å
354	I	85	Confident	84.2	Confident	21 Å²	21	44.6 Å²	44.6	11%	0.108	23%	0.231	C	C	.	.			trans	-85.2	111.9	177.9	-58.3	-179.1	0	0	0	109.9	M328 L351 A356 L357 S358 I396 L398 L446	M328-I354 HydrophobicContact CE-CD1 4.47Å; L351-I354 HydrophobicContact CD2-CD1 3.82Å; L351-I354 PolarHBondContact O-N 3.1Å; I354-A356 VanDerWaalsContact C-N 3.33Å; I354-A356 HydrophobicContact CG2-CB 4.28Å; I354-A356 PolarHBondContact O-N 3.03Å; I354-L357 HydrophobicContact CB-CB 4.47Å; I354-L357 HydrophobicContact CB-CD1 4.12Å; I354-L357 HydrophobicContact CB-CG 4.19Å; I354-L357 HydrophobicContact CD1-CD1 4.26Å; I354-L357 HydrophobicContact CG2-CD1 4.22Å; I354-L357 HydrophobicContact CG2-CG 3.97Å; I354-L357 PolarHBondContact O-N 3.33Å; I354-S358 PolarHBondContact O-N 3.43Å; I354-I396 HydrophobicContact CG2-CG2 4.12Å; I354-L398 HydrophobicContact CD1-CD2 4.19Å; I354-L446 HydrophobicContact CD1-CD1 3.5Å; I354-L446 VanDerWaalsContact CD1-CD1 3.5Å
355	K	79	Confident	84	Confident	125 Å²	125	42.8 Å²	42.8	54%	0.543	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-56.3	-41.5	-176.1	-71.1	179.3	-178	165.5	0	113.5	I109 H353 L357 S358	I109-K355 HydrophobicContact CD1-CD 4.28Å; H353-K355 PolarHBondContact O-N 2.83Å; K355-L357 PolarHBondContact O-N 3.1Å; K355-L357 VanDerWaalsContact O-N 3.11Å; K355-S358 VanDerWaalsContact O-CB 3.25Å; K355-S358 WeakPolarHBondContact O-CB 3.45Å; K355-S358 PolarHBondContact O-N 3.36Å; K355-S358 PolarHBondContact O-OG 3.35Å
356	A	78.9	Confident	83.9	Confident	9 Å²	9	44.1 Å²	44.1	7%	0.074	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.2	176.6	0	0	0	0	0	113	I354 H359 I396 D420	I354-A356 VanDerWaalsContact C-N 3.33Å; I354-A356 HydrophobicContact CG2-CB 4.28Å; I354-A356 PolarHBondContact O-N 3.03Å; A356-H359 PolarHBondContact O-CE1 2.9Å; A356-H359 PolarHBondContact O-ND1 2.82Å; A356-I396 HydrophobicContact CB-CD1 4.12Å; A356-I396 HydrophobicContact CB-CG1 4.18Å; A356-I396 HydrophobicContact CB-CG2 3.92Å; A356-D420 HydrophobicContact CB-CB 4.11Å
357	L	84.7	Confident	83.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-95	-8.1	-179.8	-55.7	-178.1	0	0	0	113.4	L351 I354 K355 H359 L360 K365 L368 W394 I396	L351-L357 HydrophobicContact CB-CD1 3.87Å; L351-L357 HydrophobicContact CD1-CD1 4.28Å; L351-L357 HydrophobicContact CD2-CD1 3.7Å; L351-L357 HydrophobicContact CG-CD1 4.12Å; I354-L357 HydrophobicContact CB-CB 4.47Å; I354-L357 HydrophobicContact CB-CD1 4.12Å; I354-L357 HydrophobicContact CB-CG 4.19Å; I354-L357 HydrophobicContact CD1-CD1 4.26Å; I354-L357 HydrophobicContact CG2-CD1 4.22Å; I354-L357 HydrophobicContact CG2-CG 3.97Å; I354-L357 PolarHBondContact O-N 3.33Å; K355-L357 PolarHBondContact O-N 3.1Å; K355-L357 VanDerWaalsContact O-N 3.11Å; L357-H359 VanDerWaalsContact C-N 3.27Å; L357-H359 PolarHBondContact O-N 3.08Å; L357-H359 VanDerWaalsContact O-N 3.16Å; L357-L360 HydrophobicContact CB-CD1 4.34Å; L357-L360 HydrophobicContact CD2-CD1 3.69Å; L357-L360 WeakPolarHBondContact O-CB 3.39Å; L357-L360 PolarHBondContact O-N 3.19Å; L357-K365 WeakPolarHBondContact O-CE 3.43Å; L357-K365 PolarHBondContact O-NZ 3.14Å; L357-L368 HydrophobicContact CD2-CD1 4Å; L357-W394 HydrophobicContact CD2-CH2 3.55Å; L357-W394 HydrophobicContact CD2-CZ2 4.49Å; L357-W394 HydrophobicContact CD2-CZ3 4.13Å; L357-I396 HydrophobicContact CD1-CD1 4.44Å; L357-I396 HydrophobicContact CD2-CD1 3.44Å; L357-I396 VanDerWaalsContact CD2-CD1 3.44Å; L357-I396 HydrophobicContact CG-CD1 3.93Å
358	S	77.9	Confident	83.8	Confident	63 Å²	63	46.5 Å²	46.5	44%	0.441	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-43.7	-171.8	58.1	0	0	0	0	113.4	I354 K355 L360 K365	I354-S358 PolarHBondContact O-N 3.43Å; K355-S358 VanDerWaalsContact O-CB 3.25Å; K355-S358 WeakPolarHBondContact O-CB 3.45Å; K355-S358 PolarHBondContact O-N 3.36Å; K355-S358 PolarHBondContact O-OG 3.35Å; S358-L360 VanDerWaalsContact C-N 3.26Å; S358-L360 PolarHBondContact O-N 2.83Å; S358-K365 PolarHBondContact O-NZ 2.83Å
359	H	75.1	Confident	83.8	Confident	80 Å²	80	44.8 Å²	44.8	37%	0.37	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.9	-179.3	71.4	-80.4	0	0	0	115.3	R130 A356 L357	R130-H359 PolarHBondContact NH2-CD2 2.66Å; R130-H359 PolarHBondContact NH2-CE1 2.81Å; R130-H359 VanDerWaalsContact NH2-CG 3.32Å; R130-H359 PolarHBondContact NH2-ND1 3.43Å; R130-H359 PolarHBondContact NH2-NE2 2.79Å; A356-H359 PolarHBondContact O-CE1 2.9Å; A356-H359 PolarHBondContact O-ND1 2.82Å; L357-H359 VanDerWaalsContact C-N 3.27Å; L357-H359 PolarHBondContact O-N 3.08Å; L357-H359 VanDerWaalsContact O-N 3.16Å
360	L	80.1	Confident	84	Confident	35 Å²	35	42.9 Å²	42.9	18%	0.183	22%	0.222	C	C	.	.	S	Bend	trans	-83.5	147.1	179	-56.3	179.8	0	0	0	111.1	L357 S358 V364 K365 L368 W394	L357-L360 HydrophobicContact CB-CD1 4.34Å; L357-L360 HydrophobicContact CD2-CD1 3.69Å; L357-L360 WeakPolarHBondContact O-CB 3.39Å; L357-L360 PolarHBondContact O-N 3.19Å; S358-L360 VanDerWaalsContact C-N 3.26Å; S358-L360 PolarHBondContact O-N 2.83Å; L360-V364 HydrophobicContact CB-CB 4.34Å; L360-V364 HydrophobicContact CB-CG1 4.09Å; L360-V364 HydrophobicContact CD1-CG1 3.94Å; L360-V364 HydrophobicContact CD2-CG1 4.44Å; L360-V364 HydrophobicContact CG-CG1 4.39Å; L360-K365 HydrophobicContact CB-CG 4.25Å; L360-K365 WeakPolarHBondContact O-CE 3.23Å; L360-K365 PolarHBondContact O-NZ 3.48Å; L360-L368 HydrophobicContact CD1-CD1 3.57Å; L360-W394 HydrophobicContact CD1-CH2 4.41Å
361	S	78.6	Confident	84.1	Confident	40 Å²	40	43 Å²	43	28%	0.28	22%	0.222	S	C	.	.			trans	-64.7	160.3	176.7	73.8	0	0	0	0	111.8	T363 V364 K365	S361-T363 VanDerWaalsContact C-N 3.27Å; S361-T363 PolarHBondContact O-N 3.05Å; S361-V364 PolarHBondContact O-N 2.99Å; S361-V364 WeakPolarHBondContact OG-CG2 3.35Å; S361-V364 PolarHBondContact OG-N 3.39Å; S361-K365 WeakPolarHBondContact O-CG 3.37Å; S361-K365 PolarHBondContact O-N 3.36Å
362	T	79.9	Confident	84.3	Confident	60 Å²	60	43 Å²	43	37%	0.368	22%	0.222	S	C	.	.	H	α-helix	trans	-58.9	-40.3	177.2	-62.3	0	0	0	0	111.8	Y348 K365 R366	Y348-T362 HydrophobicContact CE2-CG2 4.19Å; Y348-T362 VanDerWaalsContact OH-CG2 3.3Å; Y348-T362 WeakPolarHBondContact OH-CG2 3.35Å; T362-K365 PolarHBondContact O-N 3.44Å; T362-R366 WeakPolarHBondContact O-CG 3.26Å; T362-R366 PolarHBondContact O-N 3.01Å
363	T	79.6	Confident	84.6	Confident	25 Å²	25	41 Å²	41	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-49.6	176.8	-50.4	0	0	0	0	111.1	S361 K365 R366 E367 E478	S361-T363 VanDerWaalsContact C-N 3.27Å; S361-T363 PolarHBondContact O-N 3.05Å; T363-K365 VanDerWaalsContact C-N 3.34Å; T363-K365 PolarHBondContact O-N 3.11Å; T363-R366 PolarHBondContact O-N 3Å; T363-R366 VanDerWaalsContact O-N 3.16Å; T363-E367 PolarHBondContact O-N 2.84Å; T363-E478 VanDerWaalsContact CB-OE1 3.25Å; T363-E478 WeakPolarHBondContact CB-OE1 3.38Å; T363-E478 WeakPolarHBondContact CG2-OE1 3.29Å; T363-E478 PolarHBondContact OG1-OE1 3.27Å
364	V	84.4	Confident	84.9	Confident	23 Å²	23	38.4 Å²	38.4	14%	0.139	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-42.8	178.5	173	0	0	0	0	111.2	L360 S361 R366 E367 L368 I456 V460	L360-V364 HydrophobicContact CB-CB 4.34Å; L360-V364 HydrophobicContact CB-CG1 4.09Å; L360-V364 HydrophobicContact CD1-CG1 3.94Å; L360-V364 HydrophobicContact CD2-CG1 4.44Å; L360-V364 HydrophobicContact CG-CG1 4.39Å; S361-V364 PolarHBondContact O-N 2.99Å; S361-V364 WeakPolarHBondContact OG-CG2 3.35Å; S361-V364 PolarHBondContact OG-N 3.39Å; V364-R366 VanDerWaalsContact C-N 3.32Å; V364-R366 PolarHBondContact O-N 3.32Å; V364-E367 PolarHBondContact O-N 2.84Å; V364-L368 HydrophobicContact CG1-CD1 4.01Å; V364-L368 HydrophobicContact CG1-CG 4.22Å; V364-L368 WeakPolarHBondContact O-CB 3.33Å; V364-L368 VanDerWaalsContact O-CG 3.26Å; V364-L368 WeakPolarHBondContact O-CG 3.48Å; V364-L368 PolarHBondContact O-N 3.35Å; V364-I456 HydrophobicContact CG1-CG2 4.24Å; V364-I456 HydrophobicContact CG2-CG2 4.4Å; V364-V460 HydrophobicContact CG2-CG2 3.85Å
365	K	86.2	Confident	85.1	Confident	20 Å²	20	39 Å²	39	9%	0.087	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-38.5	177.1	-72.2	170.7	179.6	148.8	0	112.4	Y348 L351 L352 L357 S358 L360 S361 T362 T363 L368 A369	Y348-K365 HydrophobicContact CD2-CB 4.07Å; Y348-K365 HydrophobicContact CE2-CB 3.92Å; L351-K365 VanDerWaalsContact CD1-O 3.3Å; L351-K365 WeakPolarHBondContact CD1-O 3.17Å; L352-K365 HydrophobicContact CD2-CD 4.1Å; L357-K365 WeakPolarHBondContact O-CE 3.43Å; L357-K365 PolarHBondContact O-NZ 3.14Å; S358-K365 PolarHBondContact O-NZ 2.83Å; L360-K365 HydrophobicContact CB-CG 4.25Å; L360-K365 WeakPolarHBondContact O-CE 3.23Å; L360-K365 PolarHBondContact O-NZ 3.48Å; S361-K365 WeakPolarHBondContact O-CG 3.37Å; S361-K365 PolarHBondContact O-N 3.36Å; T362-K365 PolarHBondContact O-N 3.44Å; T363-K365 VanDerWaalsContact C-N 3.34Å; T363-K365 PolarHBondContact O-N 3.11Å; K365-L368 PolarHBondContact O-N 2.93Å; K365-A369 PolarHBondContact O-N 3.48Å; K365-A369 VanDerWaalsContact O-N 3.1Å
366	R	87.8	Confident	85.5	Confident	142 Å²	142	35 Å²	35	54%	0.536	19%	0.19	S	C	.	.	H	α-helix	trans	-66.9	-43.3	176.2	-74.1	-178.1	173.1	-142.7	-6.3	112.2	Y348 T362 T363 V364 L368 A369	Y348-R366 HydrophobicContact CD2-CB 4.39Å; Y348-R366 HydrophobicContact CD2-CG 3.51Å; Y348-R366 HydrophobicContact CE2-CG 3.58Å; Y348-R366 HydrophobicContact CG-CG 4.16Å; T362-R366 WeakPolarHBondContact O-CG 3.26Å; T362-R366 PolarHBondContact O-N 3.01Å; T363-R366 PolarHBondContact O-N 3Å; T363-R366 VanDerWaalsContact O-N 3.16Å; V364-R366 VanDerWaalsContact C-N 3.32Å; V364-R366 PolarHBondContact O-N 3.32Å; R366-L368 VanDerWaalsContact C-N 3.33Å; R366-A369 WeakPolarHBondContact O-CB 3.02Å; R366-A369 PolarHBondContact O-N 2.65Å
367	E	87.5	Confident	85.9	Confident	72 Å²	72	36.8 Å²	36.8	34%	0.336	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-41.6	174	-70	-61	138	0	0	111.5	T363 V364 A369 G370 V371 I456	T363-E367 PolarHBondContact O-N 2.84Å; V364-E367 PolarHBondContact O-N 2.84Å; E367-A369 VanDerWaalsContact C-N 3.29Å; E367-A369 PolarHBondContact O-N 3.21Å; E367-G370 WeakPolarHBondContact O-CA 3.02Å; E367-G370 PolarHBondContact O-N 3.18Å; E367-V371 PolarHBondContact O-N 2.87Å; E367-I456 HydrophobicContact CB-CD1 3.92Å; E367-I456 HydrophobicContact CB-CG1 3.9Å; E367-I456 HydrophobicContact CB-CG2 4.02Å
368	L	89.7	Confident	85.7	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-38.6	175.5	-77.3	176.8	0	0	0	112.5	L351 L357 L360 V364 K365 R366 G370 V371 L372 V448 I456	L351-L368 HydrophobicContact CD1-CB 4.04Å; L357-L368 HydrophobicContact CD2-CD1 4Å; L360-L368 HydrophobicContact CD1-CD1 3.57Å; V364-L368 HydrophobicContact CG1-CD1 4.01Å; V364-L368 HydrophobicContact CG1-CG 4.22Å; V364-L368 WeakPolarHBondContact O-CB 3.33Å; V364-L368 VanDerWaalsContact O-CG 3.26Å; V364-L368 WeakPolarHBondContact O-CG 3.48Å; V364-L368 PolarHBondContact O-N 3.35Å; K365-L368 PolarHBondContact O-N 2.93Å; R366-L368 VanDerWaalsContact C-N 3.33Å; L368-G370 PolarHBondContact O-N 3.42Å; L368-G370 VanDerWaalsContact O-N 3.16Å; L368-V371 HydrophobicContact CD2-CG2 4.17Å; L368-V371 PolarHBondContact O-N 3.02Å; L368-L372 HydrophobicContact CB-CD1 3.93Å; L368-L372 HydrophobicContact CB-CG 4.16Å; L368-L372 HydrophobicContact CD2-CG 4.48Å; L368-L372 WeakPolarHBondContact O-CB 3.19Å; L368-L372 WeakPolarHBondContact O-CD1 3.38Å; L368-L372 WeakPolarHBondContact O-CG 3.41Å; L368-L372 PolarHBondContact O-N 2.86Å; L368-V448 HydrophobicContact CD2-CG1 4.28Å; L368-V448 HydrophobicContact CD2-CG2 3.69Å; L368-I456 HydrophobicContact CD2-CD1 3.99Å; L368-I456 HydrophobicContact CG-CD1 4.42Å
369	A	90.9	Very high	86	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-31.5	175.8	0	0	0	0	0	112.6	R339 L344 I347 L351 K365 R366 E367	R339-A369 PolarHBondContact NH1-O 2.89Å; L344-A369 HydrophobicContact CD2-CB 4.45Å; L344-A369 WeakPolarHBondContact CD2-O 3.45Å; I347-A369 HydrophobicContact CB-CB 3.99Å; I347-A369 HydrophobicContact CG2-CB 3.73Å; L351-A369 HydrophobicContact CD1-CB 4.26Å; K365-A369 PolarHBondContact O-N 3.48Å; K365-A369 VanDerWaalsContact O-N 3.1Å; R366-A369 WeakPolarHBondContact O-CB 3.02Å; R366-A369 PolarHBondContact O-N 2.65Å; E367-A369 VanDerWaalsContact C-N 3.29Å; E367-A369 PolarHBondContact O-N 3.21Å
370	G	91.2	Very high	86.4	Confident	21 Å²	21	39.2 Å²	39.2	22%	0.216	21%	0.209	C	C	.	.	H	α-helix	trans	-73.7	-28.1	176.5	0	0	0	0	0	114.6	P336 E367 L368	P336-G370 WeakPolarHBondContact CA-O 3.29Å; P336-G370 WeakPolarHBondContact CB-O 3.46Å; E367-G370 WeakPolarHBondContact O-CA 3.02Å; E367-G370 PolarHBondContact O-N 3.18Å; L368-G370 PolarHBondContact O-N 3.42Å; L368-G370 VanDerWaalsContact O-N 3.16Å
371	V	91.8	Very high	86.6	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-116.5	-21	-168.9	-56.9	0	0	0	0	114.9	E367 L368 I373 V448 D452 I456	E367-V371 PolarHBondContact O-N 2.87Å; L368-V371 HydrophobicContact CD2-CG2 4.17Å; L368-V371 PolarHBondContact O-N 3.02Å; V371-I373 PolarHBondContact O-N 2.67Å; V371-V448 HydrophobicContact CG2-CG1 4.28Å; V371-D452 HydrophobicContact CB-CB 3.9Å; V371-D452 HydrophobicContact CG1-CB 3.95Å; V371-D452 HydrophobicContact CG2-CB 4.19Å; V371-I456 HydrophobicContact CG1-CD1 4.39Å; V371-I456 HydrophobicContact CG2-CD1 3.57Å
372	L	92	Very high	87.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.			trans	-57.8	132.4	-176.2	-80.5	163.3	0	0	0	110.9	L332 R339 L351 L368 L446 V448	L332-L372 HydrophobicContact CD2-CB 4.06Å; L332-L372 WeakPolarHBondContact CD2-O 3.49Å; R339-L372 PolarHBondContact NH1-O 2.81Å; R339-L372 PolarHBondContact NH2-O 3.44Å; L351-L372 HydrophobicContact CD1-CD1 3.59Å; L351-L372 HydrophobicContact CD2-CD1 3.48Å; L351-L372 VanDerWaalsContact CD2-CD1 3.48Å; L351-L372 HydrophobicContact CG-CD1 4.17Å; L368-L372 HydrophobicContact CB-CD1 3.93Å; L368-L372 HydrophobicContact CB-CG 4.16Å; L368-L372 HydrophobicContact CD2-CG 4.48Å; L368-L372 WeakPolarHBondContact O-CB 3.19Å; L368-L372 WeakPolarHBondContact O-CD1 3.38Å; L368-L372 WeakPolarHBondContact O-CG 3.41Å; L368-L372 PolarHBondContact O-N 2.86Å; L372-L446 HydrophobicContact CD1-CD1 4.43Å; L372-L446 HydrophobicContact CD2-CB 3.98Å; L372-L446 HydrophobicContact CD2-CD1 4.38Å; L372-V448 HydrophobicContact CD2-CG2 3.4Å; L372-V448 VanDerWaalsContact CD2-CG2 3.4Å; L372-V448 HydrophobicContact CG-CG2 4.26Å
373	I	91.4	Very high	87.6	Confident	40 Å²	40	39.5 Å²	39.5	21%	0.205	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134	177.5	-59.8	170.7	0	0	0	108.3	V371 L446 R447 D449	V371-I373 PolarHBondContact O-N 2.67Å; I373-L446 CarbonylContact O-C 3.5Å; I373-L446 WeakPolarHBondContact O-CA 3.38Å; I373-R447 HydrophobicContact CB-CB 4.37Å; I373-R447 PolarHBondContact N-O 3.07Å; I373-R447 PolarHBondContact O-N 2.81Å; I373-D449 WeakPolarHBondContact CD1-OD2 3.18Å
374	F	91.4	Very high	88	Confident	20 Å²	20	39.5 Å²	39.5	9%	0.088	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.8	170.1	176.1	-96.2	0	0	0	110.1	R329 L332 R333 L398 H444	R329-F374 HydrophobicContact CB-CE2 4.4Å; R329-F374 HydrophobicContact CG-CD2 4.06Å; R329-F374 HydrophobicContact CG-CE2 3.65Å; R329-F374 HydrophobicContact CG-CZ 4.18Å; L332-F374 HydrophobicContact CB-CB 3.58Å; L332-F374 HydrophobicContact CD1-CB 4.34Å; R333-F374 HydrophobicContact CG-CD1 4.34Å; F374-L398 HydrophobicContact CD2-CD1 4.08Å; F374-L398 HydrophobicContact CE2-CD1 4.13Å; F374-H444 HydrophobicContact CE2-CB 3.86Å; F374-H444 HydrophobicContact CZ-CB 4.06Å; F374-H444 AromaticContact CZ-CG 3.93Å
375	E	89.9	Confident	88.1	Confident	33 Å²	33	39.1 Å²	39.1	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.7	179.4	-166.5	175	134	0	0	110.1	H377 H444 F445 R447	E375-H377 IonicContact OE1-CD2 3.01Å; E375-H377 IonicContact OE1-CE1 3.59Å; E375-H377 IonicContact OE1-NE2 3.55Å; E375-H377 PolarHBondContact OE1-NE2 2.8Å; E375-H444 CarbonylContact O-C 3.59Å; E375-H444 WeakPolarHBondContact O-CA 3.49Å; E375-F445 PolarHBondContact N-O 2.95Å; E375-F445 PolarHBondContact O-N 3.06Å; E375-R447 VanDerWaalsContact OE2-CD 3.32Å; E375-R447 WeakPolarHBondContact OE2-CD 3.22Å; E375-R447 IonicContact OE2-CZ 2.88Å; E375-R447 IonicContact OE2-NE 3.51Å; E375-R447 IonicContact OE2-NH1 2.69Å; E375-R447 PolarHBondContact OE2-NH1 2.92Å
376	S	87.2	Confident	87.6	Confident	42 Å²	42	41 Å²	41	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.9	-178	65.6	0	0	0	0	111.8	C443	S376-C443 WeakPolarHBondContact CA-O 3.28Å
377	H	86.4	Confident	87	Confident	46 Å²	46	35.7 Å²	35.7	21%	0.213	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.3	-176.3	-72.2	-80.2	0	0	0	110.5	E375 L384 L438 N442 C443 F445	E375-H377 IonicContact OE1-CD2 3.01Å; E375-H377 IonicContact OE1-CE1 3.59Å; E375-H377 IonicContact OE1-NE2 3.55Å; E375-H377 PolarHBondContact OE1-NE2 2.8Å; H377-L384 VanDerWaalsContact NE2-CD1 3.28Å; H377-L384 WeakPolarHBondContact NE2-CD1 3.25Å; H377-L438 HydrophobicContact CB-CD2 3.36Å; H377-N442 CarbonylContact O-C 3.58Å; H377-N442 WeakPolarHBondContact O-CA 3.15Å; H377-N442 PolarHBondContact O-N 3.21Å; H377-C443 PolarHBondContact N-O 3.21Å; H377-C443 PolarHBondContact O-N 3.43Å; H377-F445 AromaticContact CD2-CE2 3.91Å
378	A	79.9	Confident	86.1	Confident	54 Å²	54	34.7 Å²	34.7	45%	0.446	21%	0.213	S	C	.	.			trans	-81	-29.8	-169.5	0	0	0	0	0	114.2	D441 N442	A378-D441 WeakPolarHBondContact O-CA 3.36Å; A378-D441 VanDerWaalsContact O-CB 3.3Å; A378-D441 WeakPolarHBondContact O-CB 3.36Å; A378-N442 PolarHBondContact O-N 2.89Å
379	K	84.1	Confident	85.3	Confident	134 Å²	134	38.2 Å²	38.2	58%	0.583	23%	0.229	S	C	*	.	S	Bend	trans	-116.5	134.5	-169.4	-64.3	-175.9	-179.2	180	0	112.7	T382 D441	K379-T382 WeakPolarHBondContact O-CB 3.47Å; K379-T382 PolarHBondContact O-OG1 3.45Å; K379-D441 WeakPolarHBondContact CA-OD1 3.44Å
380	G	85	Confident	84.5	Confident	5 Å²	5	44.2 Å²	44.2	5%	0.052	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	150.5	161.4	0	0	0	0	0	111	T382 D441	G380-T382 VanDerWaalsContact C-N 3.27Å; G380-T382 PolarHBondContact O-N 3.03Å; G380-D441 PolarHBondContact N-OD1 2.77Å
381	G	84.3	Confident	83.7	Confident	24 Å²	24	43.2 Å²	43.2	25%	0.247	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-8	-174	0	0	0	0	0	114.9	E166 V383 L438	E166-G381 WeakPolarHBondContact OE1-CA 3.38Å; G381-V383 PolarHBondContact O-N 3.33Å; G381-L438 PolarHBondContact N-O 3.46Å
382	T	88.6	Confident	83.4	Confident	46 Å²	46	46.6 Å²	46.6	28%	0.282	27%	0.267	S	S	.	.			trans	-63.7	125.9	174.7	-54.4	0	0	0	0	109.9	K379 G380 L438	K379-T382 WeakPolarHBondContact O-CB 3.47Å; K379-T382 PolarHBondContact O-OG1 3.45Å; G380-T382 VanDerWaalsContact C-N 3.27Å; G380-T382 PolarHBondContact O-N 3.03Å; T382-L438 WeakPolarHBondContact O-CD1 3.49Å; T382-L438 PolarHBondContact O-N 3.26Å
383	V	90.7	Very high	83.2	Confident	72 Å²	72	46.8 Å²	46.8	44%	0.436	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.2	175.3	-176.5	0	0	0	0	108.9	G381 N386 V437	G381-V383 PolarHBondContact O-N 3.33Å; V383-N386 WeakPolarHBondContact CG1-OD1 3.17Å; V383-V437 HydrophobicContact CG2-CG1 4.46Å; V383-V437 HydrophobicContact CG2-CG2 4.15Å
384	L	86.9	Confident	83.1	Confident	24 Å²	24	45.3 Å²	45.3	13%	0.126	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-40	-179.2	-150.7	72.2	0	0	0	111.7	H377 Y395 F421 I436 L438 F445	H377-L384 VanDerWaalsContact NE2-CD1 3.28Å; H377-L384 WeakPolarHBondContact NE2-CD1 3.25Å; L384-Y395 HydrophobicContact CD2-CD1 3.89Å; L384-Y395 HydrophobicContact CD2-CD2 4.49Å; L384-Y395 HydrophobicContact CD2-CE1 3.81Å; L384-Y395 HydrophobicContact CD2-CE2 4.43Å; L384-Y395 HydrophobicContact CD2-CG 4.23Å; L384-Y395 HydrophobicContact CG-CE1 4.35Å; L384-F421 HydrophobicContact CD2-CE2 3.79Å; L384-F421 HydrophobicContact CD2-CZ 3.67Å; L384-I436 HydrophobicContact CB-CB 4.19Å; L384-I436 HydrophobicContact CB-CG2 4.04Å; L384-I436 HydrophobicContact CD2-CG2 4.25Å; L384-I436 PolarHBondContact N-O 3.3Å; L384-L438 HydrophobicContact CD1-CD1 4.13Å; L384-F445 HydrophobicContact CD1-CE2 4.4Å
385	F	86.4	Confident	83	Confident	16 Å²	16	45 Å²	45	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	161.8	168.6	53.8	-104.7	0	0	0	110	E389 Y395 F421 R432 A434 S435 I436	F385-E389 WeakPolarHBondContact CA-OE2 3.33Å; F385-E389 WeakPolarHBondContact CB-OE2 3.44Å; F385-Y395 HydrophobicContact CD1-CE2 4.08Å; F385-Y395 HydrophobicContact CE1-CD2 4.04Å; F385-Y395 AromaticContact CE1-CE2 3.85Å; F385-Y395 HydrophobicContact CE1-CE2 3.85Å; F385-F421 AromaticContact CE1-CD2 3.99Å; F385-F421 HydrophobicContact CE1-CD2 3.99Å; F385-F421 AromaticContact CE1-CE2 3.76Å; F385-F421 HydrophobicContact CE1-CE2 3.76Å; F385-F421 AromaticContact CZ-CD2 3.91Å; F385-F421 HydrophobicContact CZ-CD2 3.91Å; F385-F421 HydrophobicContact CZ-CE2 4.11Å; F385-R432 HydrophobicContact CD2-CB 4.29Å; F385-R432 HydrophobicContact CD2-CG 3.77Å; F385-R432 HydrophobicContact CE2-CB 4.43Å; F385-R432 HydrophobicContact CE2-CG 4.07Å; F385-R432 HydrophobicContact CG-CG 4.46Å; F385-A434 WeakPolarHBondContact CE2-O 3.25Å; F385-S435 WeakPolarHBondContact O-CA 3.32Å; F385-I436 HydrophobicContact CD2-CG1 4.3Å; F385-I436 HydrophobicContact CE1-CB 4.26Å; F385-I436 HydrophobicContact CE1-CG1 3.88Å; F385-I436 HydrophobicContact CE2-CB 4.2Å; F385-I436 HydrophobicContact CE2-CG1 3.49Å; F385-I436 VanDerWaalsContact CE2-CG1 3.49Å; F385-I436 HydrophobicContact CZ-CB 4.05Å; F385-I436 HydrophobicContact CZ-CD1 4.43Å; F385-I436 HydrophobicContact CZ-CG1 3.24Å; F385-I436 PolarHBondContact O-N 3.38Å
386	N	77.3	Confident	83	Confident	59 Å²	59	43.4 Å²	43.4	32%	0.316	25%	0.252	S	S	.	.			trans	-103.5	150.9	179.8	-60.1	-71.7	0	0	0	113.1	V383 G388 E389 R432 S435	V383-N386 WeakPolarHBondContact CG1-OD1 3.17Å; N386-G388 PolarHBondContact O-N 3.25Å; N386-E389 HydrophobicContact CB-CG 3.98Å; N386-E389 WeakPolarHBondContact CB-OE1 3.48Å; N386-E389 VanDerWaalsContact N-CD 3.27Å; N386-E389 PolarHBondContact N-OE2 2.94Å; N386-E389 PolarHBondContact ND2-OE1 2.98Å; N386-E389 WeakPolarHBondContact O-CB 3.39Å; N386-E389 PolarHBondContact O-N 2.92Å; N386-R432 WeakPolarHBondContact O-CB 3.21Å; N386-S435 WeakPolarHBondContact CA-OG 3.46Å
387	Q	73.8	Confident	83	Confident	30 Å²	30	41.5 Å²	41.5	14%	0.14	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	134.7	166.4	-177.5	176.9	1.1	0	0	110	Y407 R432 A433 S435	Q387-Y407 HydrophobicContact CB-CD2 4.07Å; Q387-Y407 HydrophobicContact CB-CE2 3.76Å; Q387-Y407 HydrophobicContact CG-CD2 4.16Å; Q387-Y407 HydrophobicContact CG-CE2 4.24Å; Q387-R432 CarbonylContact C-O 3.59Å; Q387-R432 WeakPolarHBondContact CA-O 3.43Å; Q387-R432 WeakPolarHBondContact CG-O 3.36Å; Q387-A433 PolarHBondContact NE2-O 3.35Å; Q387-S435 PolarHBondContact N-OG 3.49Å
388	G	69.8	Low	83.1	Confident	52 Å²	52	40.7 Å²	40.7	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-11.1	-177.1	0	0	0	0	0	115.1	N386 R432	N386-G388 PolarHBondContact O-N 3.25Å; G388-R432 PolarHBondContact N-O 2.8Å
389	E	72.8	Confident	83.3	Confident	80 Å²	80	42 Å²	42	37%	0.374	23%	0.23	S	C	.	.	S	Bend	trans	-71.8	162.7	174.1	-69.3	177.2	174.1	0	0	112.1	F385 N386 P431 R432	F385-E389 WeakPolarHBondContact CA-OE2 3.33Å; F385-E389 WeakPolarHBondContact CB-OE2 3.44Å; N386-E389 HydrophobicContact CB-CG 3.98Å; N386-E389 WeakPolarHBondContact CB-OE1 3.48Å; N386-E389 VanDerWaalsContact N-CD 3.27Å; N386-E389 PolarHBondContact N-OE2 2.94Å; N386-E389 PolarHBondContact ND2-OE1 2.98Å; N386-E389 WeakPolarHBondContact O-CB 3.39Å; N386-E389 PolarHBondContact O-N 2.92Å; E389-P431 CarbonylContact O-C 3.54Å; E389-P431 VanDerWaalsContact O-CA 3.28Å; E389-P431 WeakPolarHBondContact O-CA 3.29Å; E389-R432 HydrophobicContact CB-CG 4.29Å; E389-R432 WeakPolarHBondContact O-CG 3.36Å; E389-R432 PolarHBondContact O-N 2.96Å
390	E	74.2	Confident	83.5	Confident	127 Å²	127	36 Å²	36	59%	0.593	21%	0.207	S	C	*	.	B	Isolated β-bridge	trans	-66.7	140.6	173.5	-167.1	-176.2	161.9	0	0	111.3	T392 K450	E390-T392 PolarHBondContact O-N 3.18Å; E390-T392 VanDerWaalsContact O-N 3.12Å; E390-K450 IonicContact OE1-NZ 3.65Å; E390-K450 PolarHBondContact OE1-NZ 2.99Å
391	G	74.4	Confident	83.6	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.			trans	-71.1	98.6	172.2	0	0	0	0	0	113.3	A425 L426 K450	G391-A425 VanDerWaalsContact CA-CB 3.47Å; G391-L426 WeakPolarHBondContact O-CD2 3.45Å; G391-K450 WeakPolarHBondContact O-CD 3.49Å
392	T	85.1	Confident	83.6	Confident	74 Å²	74	34.8 Å²	34.8	45%	0.454	19%	0.194	S	C	.	.			trans	-97.5	-30.4	-178.7	51.8	0	0	0	0	114.9	E390 K450	E390-T392 PolarHBondContact O-N 3.18Å; E390-T392 VanDerWaalsContact O-N 3.12Å; T392-K450 WeakPolarHBondContact O-CB 3.18Å; T392-K450 PolarHBondContact O-N 2.91Å
393	S	87.7	Confident	83.3	Confident	5 Å²	5	32.7 Å²	32.7	4%	0.035	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157.7	-174.1	-47.3	0	0	0	0	114.7	R432 R447 V448 D449	S393-R432 VanDerWaalsContact N-NH2 3.19Å; S393-R432 PolarHBondContact O-NH1 3.43Å; S393-R432 PolarHBondContact O-NH2 2.65Å; S393-R447 VanDerWaalsContact CB-CG 3.45Å; S393-R447 WeakPolarHBondContact OG-CD 3.23Å; S393-V448 CarbonylContact C-O 3.41Å; S393-V448 VanDerWaalsContact CA-O 3.28Å; S393-V448 WeakPolarHBondContact CA-O 3.44Å; S393-D449 PolarHBondContact OG-OD1 3.26Å
394	W	89	Confident	82.8	Confident	9 Å²	9	29.3 Å²	29.3	3%	0.034	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.5	168.5	170.8	51.9	0	0	0	109.3	L357 L360 I396 D420 F421 K423 L426 R447 V448	L357-W394 HydrophobicContact CD2-CH2 3.55Å; L357-W394 HydrophobicContact CD2-CZ2 4.49Å; L357-W394 HydrophobicContact CD2-CZ3 4.13Å; L360-W394 HydrophobicContact CD1-CH2 4.41Å; W394-I396 HydrophobicContact CH2-CD1 3.85Å; W394-I396 HydrophobicContact CH2-CG1 4.4Å; W394-I396 HydrophobicContact CZ2-CD1 3.92Å; W394-I396 HydrophobicContact CZ2-CG1 4Å; W394-I396 HydrophobicContact CZ3-CD1 4.33Å; W394-D420 HydrophobicContact CZ2-CB 4.34Å; W394-D420 PolarHBondContact NE1-OD2 2.88Å; W394-F421 VanDerWaalsContact CD1-O 3.22Å; W394-K423 HydrophobicContact CG-CB 4.29Å; W394-L426 HydrophobicContact CB-CD1 3.64Å; W394-R447 CarbonylContact O-C 3.15Å; W394-R447 VanDerWaalsContact O-CA 3.32Å; W394-R447 WeakPolarHBondContact O-CA 3.35Å; W394-V448 HydrophobicContact CE3-CB 4.18Å; W394-V448 HydrophobicContact CE3-CG2 3.87Å; W394-V448 HydrophobicContact CZ3-CG2 4.27Å; W394-V448 PolarHBondContact N-O 3.45Å; W394-V448 PolarHBondContact O-N 2.93Å
395	Y	89.5	Confident	82.1	Confident	12 Å²	12	29.5 Å²	29.5	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.8	-172.9	-64.4	-96.8	0	0	0	112.2	L384 F385 D420 F421 F445 L446 R447	L384-Y395 HydrophobicContact CD2-CD1 3.89Å; L384-Y395 HydrophobicContact CD2-CD2 4.49Å; L384-Y395 HydrophobicContact CD2-CE1 3.81Å; L384-Y395 HydrophobicContact CD2-CE2 4.43Å; L384-Y395 HydrophobicContact CD2-CG 4.23Å; L384-Y395 HydrophobicContact CG-CE1 4.35Å; F385-Y395 HydrophobicContact CD1-CE2 4.08Å; F385-Y395 HydrophobicContact CE1-CD2 4.04Å; F385-Y395 AromaticContact CE1-CE2 3.85Å; F385-Y395 HydrophobicContact CE1-CE2 3.85Å; Y395-D420 VanDerWaalsContact O-CA 3.3Å; Y395-D420 WeakPolarHBondContact O-CA 3.45Å; Y395-D420 WeakPolarHBondContact O-CB 3.3Å; Y395-F421 VanDerWaalsContact CB-CE2 3.5Å; Y395-F421 VanDerWaalsContact CB-CZ 3.41Å; Y395-F421 HydrophobicContact CD2-CD2 4.27Å; Y395-F421 AromaticContact CD2-CE2 3.73Å; Y395-F421 HydrophobicContact CD2-CE2 3.73Å; Y395-F421 HydrophobicContact CD2-CZ 4.37Å; Y395-F421 HydrophobicContact CG-CD2 4.47Å; Y395-F421 AromaticContact CG-CE2 3.72Å; Y395-F421 HydrophobicContact CG-CE2 3.72Å; Y395-F421 AromaticContact CG-CZ 3.9Å; Y395-F421 HydrophobicContact CG-CZ 3.9Å; Y395-F421 PolarHBondContact N-O 3.28Å; Y395-F421 PolarHBondContact O-N 3.49Å; Y395-F445 HydrophobicContact CD1-CB 4.16Å; Y395-L446 CarbonylContact C-O 3.55Å; Y395-L446 VanDerWaalsContact CA-O 3.29Å; Y395-L446 WeakPolarHBondContact CA-O 3.5Å; Y395-R447 HydrophobicContact CD1-CB 4.1Å; Y395-R447 HydrophobicContact CD1-CG 3.93Å; Y395-R447 HydrophobicContact CE1-CB 4.05Å; Y395-R447 VanDerWaalsContact CE1-CD 3.46Å; Y395-R447 HydrophobicContact CE1-CG 3.58Å; Y395-R447 HydrophobicContact CE2-CG 4.43Å
396	I	90.5	Very high	81.4	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.9	170.5	-57.1	167.6	0	0	0	108.1	I354 A356 L357 W394 L398 D420 F445 L446	I354-I396 HydrophobicContact CG2-CG2 4.12Å; A356-I396 HydrophobicContact CB-CD1 4.12Å; A356-I396 HydrophobicContact CB-CG1 4.18Å; A356-I396 HydrophobicContact CB-CG2 3.92Å; L357-I396 HydrophobicContact CD1-CD1 4.44Å; L357-I396 HydrophobicContact CD2-CD1 3.44Å; L357-I396 VanDerWaalsContact CD2-CD1 3.44Å; L357-I396 HydrophobicContact CG-CD1 3.93Å; W394-I396 HydrophobicContact CH2-CD1 3.85Å; W394-I396 HydrophobicContact CH2-CG1 4.4Å; W394-I396 HydrophobicContact CZ2-CD1 3.92Å; W394-I396 HydrophobicContact CZ2-CG1 4Å; W394-I396 HydrophobicContact CZ3-CD1 4.33Å; I396-L398 PolarHBondContact O-N 2.86Å; I396-D420 HydrophobicContact CG1-CB 3.98Å; I396-F445 CarbonylContact O-C 3.58Å; I396-F445 WeakPolarHBondContact O-CA 3.44Å; I396-L446 HydrophobicContact CB-CB 4.27Å; I396-L446 PolarHBondContact N-O 3.25Å; I396-L446 PolarHBondContact O-N 3.22Å
397	I	87.8	Confident	81	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.8	-178.2	-50.1	-179.2	0	0	0	109.6	V402 L415 E417 G418 D419 F421 F445	I397-V402 HydrophobicContact CD1-CG2 3.78Å; I397-L415 HydrophobicContact CD1-CB 3.63Å; I397-E417 WeakPolarHBondContact O-CA 3.42Å; I397-G418 PolarHBondContact O-N 2.74Å; I397-D419 HydrophobicContact CD1-CB 4.48Å; I397-D419 PolarHBondContact N-O 3.29Å; I397-F421 HydrophobicContact CD1-CD1 4.29Å; I397-F421 HydrophobicContact CD1-CE1 3.93Å; I397-F421 HydrophobicContact CG1-CD1 4.24Å; I397-F421 HydrophobicContact CG1-CE1 3.7Å; I397-F445 HydrophobicContact CB-CD1 4.45Å; I397-F445 HydrophobicContact CB-CE1 4.49Å; I397-F445 HydrophobicContact CG1-CD1 4.04Å; I397-F445 HydrophobicContact CG1-CE1 3.9Å; I397-F445 HydrophobicContact CG2-CE1 4.32Å
398	L	86.5	Confident	80.7	Confident	29 Å²	29	36.2 Å²	36.2	15%	0.152	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-30.2	172.4	-67.9	-175.8	0	0	0	112.8	I354 F374 I396 E417 H444 L446	I354-L398 HydrophobicContact CD1-CD2 4.19Å; F374-L398 HydrophobicContact CD2-CD1 4.08Å; F374-L398 HydrophobicContact CE2-CD1 4.13Å; I396-L398 PolarHBondContact O-N 2.86Å; L398-E417 VanDerWaalsContact O-CD 3.3Å; L398-E417 VanDerWaalsContact O-CG 3.29Å; L398-E417 WeakPolarHBondContact O-CG 3.24Å; L398-H444 HydrophobicContact CB-CB 4.08Å; L398-H444 PolarHBondContact N-O 3.12Å; L398-L446 HydrophobicContact CD1-CD1 4.45Å; L398-L446 HydrophobicContact CD1-CD2 3.71Å; L398-L446 HydrophobicContact CD1-CG 3.7Å; L398-L446 HydrophobicContact CD2-CD1 3.97Å; L398-L446 HydrophobicContact CD2-CG 3.92Å; L398-L446 HydrophobicContact CG-CD1 4.42Å; L398-L446 HydrophobicContact CG-CD2 4.39Å; L398-L446 HydrophobicContact CG-CG 3.81Å
399	K	86.2	Confident	80.4	Confident	81 Å²	81	36.9 Å²	36.9	35%	0.352	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	143.4	178.2	-169.6	-172.5	178.6	-177.7	0	109.6	C443 H444	K399-C443 CarbonylContact O-C 3.51Å; K399-C443 VanDerWaalsContact O-CA 3.26Å; K399-C443 WeakPolarHBondContact O-CA 3.49Å; K399-H444 HydrophobicContact CB-CB 3.87Å; K399-H444 VanDerWaalsContact CB-CD2 3.5Å; K399-H444 WeakPolarHBondContact CB-CD2 3.28Å; K399-H444 VanDerWaalsContact CD-CD2 3.41Å; K399-H444 WeakPolarHBondContact CD-CD2 3.39Å; K399-H444 VanDerWaalsContact CD-NE2 3.31Å; K399-H444 WeakPolarHBondContact CD-NE2 3.49Å; K399-H444 PolarHBondContact N-O 3.09Å; K399-H444 PolarHBondContact O-N 3.02Å
400	G	87.1	Confident	80.4	Confident	8 Å²	8	34.8 Å²	34.8	8%	0.082	20%	0.2	C	C	.	.	S	Bend	trans	91.5	-160.6	177.9	0	0	0	0	0	112.8	E417 E440	G400-E417 PolarHBondContact O-N 2.77Å; G400-E440 WeakPolarHBondContact CA-OE1 3.45Å
401	S	86.3	Confident	80.4	Confident	5 Å²	5	29.7 Å²	29.7	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.5	-177.2	51.4	0	0	0	0	111.6	L415 R439 E440	S401-L415 CarbonylContact C-O 3.59Å; S401-L415 WeakPolarHBondContact CA-O 3.47Å; S401-L415 WeakPolarHBondContact CB-O 3.38Å; S401-R439 WeakPolarHBondContact O-CB 3.27Å; S401-R439 PolarHBondContact O-N 3.2Å; S401-E440 WeakPolarHBondContact CB-OE1 3.38Å; S401-E440 PolarHBondContact N-OE1 2.97Å; S401-E440 PolarHBondContact OG-OE1 2.97Å
402	V	86.2	Confident	80.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148	179.7	-55.8	0	0	0	0	111.1	I397 T414 L415 F421 I436 V437 L438 F445	I397-V402 HydrophobicContact CD1-CG2 3.78Å; V402-T414 CarbonylContact O-C 3.45Å; V402-T414 WeakPolarHBondContact O-CA 3.41Å; V402-L415 HydrophobicContact CG2-CB 3.88Å; V402-L415 HydrophobicContact CG2-CD1 4.17Å; V402-L415 HydrophobicContact CG2-CG 4.36Å; V402-L415 PolarHBondContact N-O 2.98Å; V402-L415 PolarHBondContact O-N 3.5Å; V402-F421 HydrophobicContact CG2-CD1 4.42Å; V402-F421 HydrophobicContact CG2-CE1 4.03Å; V402-I436 HydrophobicContact CB-CG2 3.81Å; V402-I436 HydrophobicContact CG1-CG2 4.12Å; V402-I436 HydrophobicContact CG2-CG2 3.82Å; V402-V437 CarbonylContact C-O 3.55Å; V402-V437 WeakPolarHBondContact CA-O 3.16Å; V402-L438 HydrophobicContact CG1-CD1 4.13Å; V402-L438 HydrophobicContact CG1-CG 4.28Å; V402-F445 HydrophobicContact CG1-CE1 3.74Å; V402-F445 HydrophobicContact CG1-CZ 3.64Å
403	N	81.3	Confident	79.8	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.4	171.3	-62.6	-40.7	0	0	0	109.7	M165 V405 V411 T414 V437 R439	M165-N403 PolarHBondContact O-ND2 2.87Å; N403-V405 HydrophobicContact CB-CG2 4.33Å; N403-V411 HydrophobicContact CB-CG1 4.04Å; N403-V411 HydrophobicContact CB-CG2 4.32Å; N403-T414 PolarHBondContact OD1-OG1 3.28Å; N403-V437 PolarHBondContact N-O 3.27Å; N403-V437 PolarHBondContact O-N 3.28Å; N403-V437 VanDerWaalsContact O-N 3.08Å; N403-R439 PolarHBondContact OD1-NH1 3.32Å; N403-R439 VanDerWaalsContact OD1-NH1 3.11Å
404	V	79.3	Confident	79.3	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.8	171.1	-172.5	0	0	0	0	108.8	I104 V411 V412 C413 L415 A434 I436	I104-V404 HydrophobicContact CD1-CG1 4.11Å; V404-V411 CarbonylContact O-C 2.99Å; V404-V411 WeakPolarHBondContact O-CA 3.5Å; V404-V412 PolarHBondContact O-N 3.39Å; V404-C413 PolarHBondContact N-O 2.79Å; V404-L415 HydrophobicContact CG2-CD1 3.76Å; V404-L415 HydrophobicContact CG2-CG 3.82Å; V404-A434 HydrophobicContact CG1-CB 3.73Å; V404-I436 HydrophobicContact CB-CD1 4.26Å; V404-I436 HydrophobicContact CG1-CD1 4.18Å; V404-I436 HydrophobicContact CG2-CD1 3.81Å
405	V	74	Confident	79	Confident	28 Å²	28	27.1 Å²	27.1	17%	0.17	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.6	-171.9	-173.8	0	0	0	0	110.4	N403 G410 V411 A434 S435 V437	N403-V405 HydrophobicContact CB-CG2 4.33Å; V405-G410 WeakPolarHBondContact CA-O 3.34Å; V405-V411 HydrophobicContact CG2-CG2 4.21Å; V405-A434 CarbonylContact O-C 3.51Å; V405-A434 WeakPolarHBondContact O-CA 3.42Å; V405-S435 PolarHBondContact N-O 3.11Å; V405-S435 PolarHBondContact O-N 3.28Å; V405-V437 HydrophobicContact CG2-CG2 4.2Å
406	I	70.4	Confident	78.8	Confident	11 Å²	11	27.7 Å²	27.7	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132	174.3	-59.6	-174.6	0	0	0	109.2	V92 I104 G408 K409 G410 V412 A434	V92-I406 HydrophobicContact CB-CD1 4.32Å; V92-I406 HydrophobicContact CG1-CD1 3.97Å; V92-I406 HydrophobicContact CG2-CD1 4.03Å; I104-I406 HydrophobicContact CD1-CD1 4.37Å; I406-G408 PolarHBondContact O-N 3.39Å; I406-K409 HydrophobicContact CB-CB 4.21Å; I406-K409 HydrophobicContact CB-CD 4.44Å; I406-K409 HydrophobicContact CG2-CB 4.46Å; I406-K409 HydrophobicContact CG2-CD 4.16Å; I406-K409 HydrophobicContact CG2-CG 4.41Å; I406-K409 PolarHBondContact O-N 3.09Å; I406-G410 PolarHBondContact N-O 2.67Å; I406-G410 PolarHBondContact O-N 3.41Å; I406-V412 HydrophobicContact CB-CG2 3.98Å; I406-V412 HydrophobicContact CD1-CG2 3.77Å; I406-V412 HydrophobicContact CG1-CG2 3.73Å; I406-A434 HydrophobicContact CD1-CB 4.4Å; I406-A434 HydrophobicContact CG1-CB 3.79Å
407	Y	70.1	Confident	78.6	Confident	144 Å²	144	32.2 Å²	32.2	57%	0.565	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	130.7	177.3	-61.7	-31.9	0	0	0	111	Q387 K409	Q387-Y407 HydrophobicContact CB-CD2 4.07Å; Q387-Y407 HydrophobicContact CB-CE2 3.76Å; Q387-Y407 HydrophobicContact CG-CD2 4.16Å; Q387-Y407 HydrophobicContact CG-CE2 4.24Å; Y407-K409 PolarHBondContact O-N 3.18Å
408	G	66.1	Low	78.3	Confident	91 Å²	91	33.5 Å²	33.5	94%	0.938	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	-12.5	-175.3	0	0	0	0	0	115.6	I406	I406-G408 PolarHBondContact O-N 3.39Å
409	K	64.9	Low	78.1	Confident	66 Å²	66	32.2 Å²	32.2	29%	0.287	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-18.7	176.6	-61.9	-177.8	178.2	-179.6	0	113.9	V92 H124 I406 Y407 V412	V92-K409 VanDerWaalsContact CG1-NZ 3.32Å; H124-K409 PolarHBondContact O-NZ 2.89Å; I406-K409 HydrophobicContact CB-CB 4.21Å; I406-K409 HydrophobicContact CB-CD 4.44Å; I406-K409 HydrophobicContact CG2-CB 4.46Å; I406-K409 HydrophobicContact CG2-CD 4.16Å; I406-K409 HydrophobicContact CG2-CG 4.41Å; I406-K409 PolarHBondContact O-N 3.09Å; Y407-K409 PolarHBondContact O-N 3.18Å; K409-V412 HydrophobicContact CB-CG2 4.28Å
410	G	72.6	Confident	78	Confident	36 Å²	36	29.1 Å²	29.1	37%	0.371	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-145.9	-176.3	0	0	0	0	0	112.1	V405 I406 V412	V405-G410 WeakPolarHBondContact CA-O 3.34Å; I406-G410 PolarHBondContact N-O 2.67Å; I406-G410 PolarHBondContact O-N 3.41Å; G410-V412 PolarHBondContact O-N 3.11Å
411	V	73.3	Confident	77.9	Confident	19 Å²	19	28.9 Å²	28.9	12%	0.115	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	114.6	178	-177.5	0	0	0	0	109.2	A159 P160 N403 V404 V405	A159-V411 HydrophobicContact CB-CB 4.31Å; A159-V411 HydrophobicContact CB-CG1 3.79Å; P160-V411 HydrophobicContact CG-CG2 4.24Å; N403-V411 HydrophobicContact CB-CG1 4.04Å; N403-V411 HydrophobicContact CB-CG2 4.32Å; V404-V411 CarbonylContact O-C 2.99Å; V404-V411 WeakPolarHBondContact O-CA 3.5Å; V405-V411 HydrophobicContact CG2-CG2 4.21Å
412	V	70.9	Confident	77.4	Confident	18 Å²	18	29.1 Å²	29.1	11%	0.109	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-41.6	-178.2	175.3	0	0	0	0	111.3	I104 H124 A125 V404 I406 K409 G410	I104-V412 HydrophobicContact CD1-CG1 4.46Å; H124-V412 HydrophobicContact CB-CG1 3.98Å; H124-V412 HydrophobicContact CB-CG2 4.44Å; A125-V412 HydrophobicContact CB-CG1 4.29Å; V404-V412 PolarHBondContact O-N 3.39Å; I406-V412 HydrophobicContact CB-CG2 3.98Å; I406-V412 HydrophobicContact CD1-CG2 3.77Å; I406-V412 HydrophobicContact CG1-CG2 3.73Å; K409-V412 HydrophobicContact CB-CG2 4.28Å; G410-V412 PolarHBondContact O-N 3.11Å
413	C	76	Confident	76.6	Confident	10 Å²	10	33 Å²	33	7%	0.068	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	168.6	175.5	60.7	0	0	0	0	110.9	C105 V404	C105-C413 VanDerWaalsContact SG-SG 3.66Å; V404-C413 PolarHBondContact N-O 2.79Å
414	T	78	Confident	75.8	Confident	6 Å²	6	34.9 Å²	34.9	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.1	174.7	-55.5	0	0	0	0	109.4	V402 N403	V402-T414 CarbonylContact O-C 3.45Å; V402-T414 WeakPolarHBondContact O-CA 3.41Å; N403-T414 PolarHBondContact OD1-OG1 3.28Å
415	L	81.5	Confident	75	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.1	177.1	-54.6	177.4	0	0	0	110.3	C105 L107 I397 S401 V402 V404 D419 F421	C105-L415 HydrophobicContact CB-CD1 3.62Å; C105-L415 HydrophobicContact CB-CD2 3.88Å; C105-L415 HydrophobicContact CB-CG 4.34Å; L107-L415 HydrophobicContact CD2-CD2 3.63Å; I397-L415 HydrophobicContact CD1-CB 3.63Å; S401-L415 CarbonylContact C-O 3.59Å; S401-L415 WeakPolarHBondContact CA-O 3.47Å; S401-L415 WeakPolarHBondContact CB-O 3.38Å; V402-L415 HydrophobicContact CG2-CB 3.88Å; V402-L415 HydrophobicContact CG2-CD1 4.17Å; V402-L415 HydrophobicContact CG2-CG 4.36Å; V402-L415 PolarHBondContact N-O 2.98Å; V402-L415 PolarHBondContact O-N 3.5Å; V404-L415 HydrophobicContact CG2-CD1 3.76Å; V404-L415 HydrophobicContact CG2-CG 3.82Å; L415-D419 WeakPolarHBondContact CA-OD2 3.41Å; L415-D419 HydrophobicContact CB-CB 3.99Å; L415-D419 HydrophobicContact CD2-CB 4.29Å; L415-F421 HydrophobicContact CD1-CB 3.79Å; L415-F421 HydrophobicContact CD1-CD1 3.7Å; L415-F421 HydrophobicContact CD1-CG 4.04Å
416	H	85.5	Confident	74.8	Confident	25 Å²	25	33.9 Å²	33.9	12%	0.116	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	176.2	-177.9	-56.4	87.4	0	0	0	111.3	T111 G418 D419	T111-H416 PolarHBondContact OG1-ND1 3.41Å; H416-G418 PolarHBondContact O-N 3.31Å; H416-D419 PolarHBondContact N-OD2 2.87Å; H416-D419 WeakPolarHBondContact O-CB 3.17Å; H416-D419 PolarHBondContact O-N 3.29Å
417	E	86.3	Confident	74.6	Confident	96 Å²	96	37.4 Å²	37.4	45%	0.449	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	130.3	172.6	-177.4	179.7	169.3	0	0	113.4	K42 I397 L398 G400	K42-E417 IonicContact NZ-OE2 3.36Å; K42-E417 PolarHBondContact NZ-OE2 3.39Å; I397-E417 WeakPolarHBondContact O-CA 3.42Å; L398-E417 VanDerWaalsContact O-CD 3.3Å; L398-E417 VanDerWaalsContact O-CG 3.29Å; L398-E417 WeakPolarHBondContact O-CG 3.24Å; G400-E417 PolarHBondContact O-N 2.77Å
418	G	81.3	Confident	74.3	Confident	27 Å²	27	35 Å²	35	28%	0.278	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-19.7	-176.1	0	0	0	0	0	114.2	I397 H416	I397-G418 PolarHBondContact O-N 2.74Å; H416-G418 PolarHBondContact O-N 3.31Å
419	D	82.2	Confident	74.4	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	21%	0.205	C	C	.	.			trans	-76.7	157	175.4	-62	-21.6	0	0	0	111.4	T106 G108 T111 I397 L415 H416	T106-D419 WeakPolarHBondContact O-CB 3.15Å; G108-D419 WeakPolarHBondContact CA-OD1 3.45Å; G108-D419 PolarHBondContact N-OD1 2.81Å; T111-D419 PolarHBondContact OG1-OD2 3.45Å; I397-D419 HydrophobicContact CD1-CB 4.48Å; I397-D419 PolarHBondContact N-O 3.29Å; L415-D419 WeakPolarHBondContact CA-OD2 3.41Å; L415-D419 HydrophobicContact CB-CB 3.99Å; L415-D419 HydrophobicContact CD2-CB 4.29Å; H416-D419 PolarHBondContact N-OD2 2.87Å; H416-D419 WeakPolarHBondContact O-CB 3.17Å; H416-D419 PolarHBondContact O-N 3.29Å
420	D	84.9	Confident	74.4	Confident	15 Å²	15	34.8 Å²	34.8	8%	0.08	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.3	179.3	82.2	-77.8	0	0	0	112.6	T106 A356 W394 Y395 I396	T106-D420 VanDerWaalsContact CB-OD1 3.24Å; T106-D420 WeakPolarHBondContact CB-OD1 3.45Å; T106-D420 PolarHBondContact N-O 2.88Å; T106-D420 PolarHBondContact OG1-OD1 3.47Å; A356-D420 HydrophobicContact CB-CB 4.11Å; W394-D420 HydrophobicContact CZ2-CB 4.34Å; W394-D420 PolarHBondContact NE1-OD2 2.88Å; Y395-D420 VanDerWaalsContact O-CA 3.3Å; Y395-D420 WeakPolarHBondContact O-CA 3.45Å; Y395-D420 WeakPolarHBondContact O-CB 3.3Å; I396-D420 HydrophobicContact CG1-CB 3.98Å
421	F	84	Confident	74.2	Confident	3 Å²	3	37.1 Å²	37.1	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	161.3	-176.1	61.3	-92.6	0	0	0	113.6	C105 L384 F385 W394 Y395 I397 V402 L415 I436 F445	C105-F421 HydrophobicContact CB-CB 4.11Å; L384-F421 HydrophobicContact CD2-CE2 3.79Å; L384-F421 HydrophobicContact CD2-CZ 3.67Å; F385-F421 AromaticContact CE1-CD2 3.99Å; F385-F421 HydrophobicContact CE1-CD2 3.99Å; F385-F421 AromaticContact CE1-CE2 3.76Å; F385-F421 HydrophobicContact CE1-CE2 3.76Å; F385-F421 AromaticContact CZ-CD2 3.91Å; F385-F421 HydrophobicContact CZ-CD2 3.91Å; F385-F421 HydrophobicContact CZ-CE2 4.11Å; W394-F421 VanDerWaalsContact CD1-O 3.22Å; Y395-F421 VanDerWaalsContact CB-CE2 3.5Å; Y395-F421 VanDerWaalsContact CB-CZ 3.41Å; Y395-F421 HydrophobicContact CD2-CD2 4.27Å; Y395-F421 AromaticContact CD2-CE2 3.73Å; Y395-F421 HydrophobicContact CD2-CE2 3.73Å; Y395-F421 HydrophobicContact CD2-CZ 4.37Å; Y395-F421 HydrophobicContact CG-CD2 4.47Å; Y395-F421 AromaticContact CG-CE2 3.72Å; Y395-F421 HydrophobicContact CG-CE2 3.72Å; Y395-F421 AromaticContact CG-CZ 3.9Å; Y395-F421 HydrophobicContact CG-CZ 3.9Å; Y395-F421 PolarHBondContact N-O 3.28Å; Y395-F421 PolarHBondContact O-N 3.49Å; I397-F421 HydrophobicContact CD1-CD1 4.29Å; I397-F421 HydrophobicContact CD1-CE1 3.93Å; I397-F421 HydrophobicContact CG1-CD1 4.24Å; I397-F421 HydrophobicContact CG1-CE1 3.7Å; V402-F421 HydrophobicContact CG2-CD1 4.42Å; V402-F421 HydrophobicContact CG2-CE1 4.03Å; L415-F421 HydrophobicContact CD1-CB 3.79Å; L415-F421 HydrophobicContact CD1-CD1 3.7Å; L415-F421 HydrophobicContact CD1-CG 4.04Å; F421-I436 HydrophobicContact CD2-CD1 4.05Å; F421-I436 HydrophobicContact CD2-CG1 3.78Å; F421-I436 HydrophobicContact CD2-CG2 4.45Å; F421-I436 HydrophobicContact CE2-CB 4.25Å; F421-I436 HydrophobicContact CE2-CD1 4.44Å; F421-I436 HydrophobicContact CE2-CG1 3.86Å; F421-I436 HydrophobicContact CE2-CG2 3.82Å; F421-I436 HydrophobicContact CG-CD1 4.35Å; F421-I436 HydrophobicContact CZ-CG2 3.91Å; F421-F445 HydrophobicContact CE1-CD1 4.27Å; F421-F445 HydrophobicContact CE1-CE1 4.13Å; F421-F445 HydrophobicContact CZ-CD1 4.18Å; F421-F445 HydrophobicContact CZ-CE1 4.06Å
422	G	75.9	Confident	74.2	Confident	10 Å²	10	36.6 Å²	36.6	10%	0.103	21%	0.21	C	C	.	.			trans	83.2	5.7	174.5	0	0	0	0	0	115.5	L424 R432	G422-L424 PolarHBondContact O-N 3.14Å; G422-R432 VanDerWaalsContact CA-NH1 3.31Å; G422-R432 PolarHBondContact O-NH1 3.4Å
423	K	70.6	Confident	73.8	Confident	81 Å²	81	37 Å²	37	35%	0.352	22%	0.215	S	C	.	.	H	α-helix	trans	-62.8	-39.6	178.7	-176.7	179.6	176	178.2	0	113.5	W394 A425 L426 V427 F453	W394-K423 HydrophobicContact CG-CB 4.29Å; K423-A425 PolarHBondContact O-N 3.37Å; K423-L426 WeakPolarHBondContact O-CB 3.28Å; K423-L426 PolarHBondContact O-N 3.03Å; K423-V427 HydrophobicContact CG-CG2 4.35Å; K423-V427 PolarHBondContact O-N 2.94Å; K423-F453 HydrophobicContact CG-CZ 4.46Å
424	L	64.6	Low	73.5	Confident	42 Å²	42	37 Å²	37	22%	0.22	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-45.8	-170.5	-179.1	76	0	0	0	113.6	V102 G422 L426 V427 N428	V102-L424 HydrophobicContact CB-CD1 4Å; V102-L424 HydrophobicContact CB-CD2 3.42Å; V102-L424 VanDerWaalsContact CB-CD2 3.42Å; V102-L424 HydrophobicContact CB-CG 4.34Å; V102-L424 HydrophobicContact CG1-CD1 4.29Å; V102-L424 HydrophobicContact CG1-CD2 4.09Å; V102-L424 HydrophobicContact CG2-CD2 3.44Å; V102-L424 VanDerWaalsContact CG2-CD2 3.44Å; G422-L424 PolarHBondContact O-N 3.14Å; L424-L426 PolarHBondContact O-N 3.4Å; L424-V427 PolarHBondContact O-N 2.97Å; L424-V427 VanDerWaalsContact O-N 3.09Å; L424-N428 WeakPolarHBondContact CD1-ND2 3.46Å; L424-N428 PolarHBondContact O-N 2.69Å
425	A	60.9	Low	73.5	Confident	5 Å²	5	36.9 Å²	36.9	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-25	-176.2	0	0	0	0	0	112.2	G391 K423 D429 A430	G391-A425 VanDerWaalsContact CA-CB 3.47Å; K423-A425 PolarHBondContact O-N 3.37Å; A425-D429 PolarHBondContact O-N 3.12Å; A425-A430 WeakPolarHBondContact CB-O 3.35Å; A425-A430 PolarHBondContact O-N 2.72Å
426	L	70.9	Confident	73.8	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-73.8	-38.3	173.6	-54.7	-172.3	0	0	0	112.5	G391 W394 K423 L424 K450 F453	G391-L426 WeakPolarHBondContact O-CD2 3.45Å; W394-L426 HydrophobicContact CB-CD1 3.64Å; K423-L426 WeakPolarHBondContact O-CB 3.28Å; K423-L426 PolarHBondContact O-N 3.03Å; L424-L426 PolarHBondContact O-N 3.4Å; L426-K450 HydrophobicContact CD2-CB 3.72Å; L426-K450 HydrophobicContact CD2-CD 4.49Å; L426-K450 HydrophobicContact CD2-CG 3.92Å; L426-F453 HydrophobicContact CB-CD1 4.05Å; L426-F453 HydrophobicContact CB-CE1 4.22Å; L426-F453 HydrophobicContact CD1-CB 4.06Å; L426-F453 HydrophobicContact CD1-CD1 4.12Å; L426-F453 HydrophobicContact CD1-CD2 4.11Å; L426-F453 HydrophobicContact CD1-CG 3.83Å
427	V	66.3	Low	73.9	Confident	85 Å²	85	36.7 Å²	36.7	52%	0.515	22%	0.216	S	C	.	.	H	α-helix	trans	-77.7	-42	-174.1	178.6	0	0	0	0	111.3	K423 L424 F453	K423-V427 HydrophobicContact CG-CG2 4.35Å; K423-V427 PolarHBondContact O-N 2.94Å; L424-V427 PolarHBondContact O-N 2.97Å; L424-V427 VanDerWaalsContact O-N 3.09Å; V427-F453 HydrophobicContact CG2-CE1 4.03Å; V427-F453 HydrophobicContact CG2-CZ 4.16Å
428	N	63.8	Low	73.9	Confident	92 Å²	92	32.1 Å²	32.1	49%	0.492	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0.3	-172.1	-67.3	-6.7	0	0	0	113.7	L424 A430	L424-N428 WeakPolarHBondContact CD1-ND2 3.46Å; L424-N428 PolarHBondContact O-N 2.69Å; N428-A430 HydrophobicContact CB-CB 4.07Å; N428-A430 PolarHBondContact O-N 2.93Å
429	D	68.9	Low	74.1	Confident	118 Å²	118	30.9 Å²	30.9	63%	0.631	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	44.1	-171.6	-159	29.2	0	0	0	112.5	A425 K450	A425-D429 PolarHBondContact O-N 3.12Å; D429-K450 WeakPolarHBondContact OD1-CE 3.41Å; D429-K450 IonicContact OD1-NZ 3.67Å; D429-K450 PolarHBondContact OD1-NZ 2.78Å
430	A	63.8	Low	74.3	Confident	35 Å²	35	33 Å²	33	29%	0.289	19%	0.191	S	C	.	.			trans	-116.1	155.6	-172.5	0	0	0	0	0	111.1	A425 N428	A425-A430 WeakPolarHBondContact CB-O 3.35Å; A425-A430 PolarHBondContact O-N 2.72Å; N428-A430 HydrophobicContact CB-CB 4.07Å; N428-A430 PolarHBondContact O-N 2.93Å
431	P	68.8	Low	74.3	Confident	86 Å²	86	34.4 Å²	34.4	56%	0.558	20%	0.199	S	C	*	.	B	Isolated β-bridge	trans	-58.9	158.3	173.1	-23.3	33.9	0	0	0	113.2	E389 A433	E389-P431 CarbonylContact O-C 3.54Å; E389-P431 VanDerWaalsContact O-CA 3.28Å; E389-P431 WeakPolarHBondContact O-CA 3.29Å; P431-A433 PolarHBondContact O-N 3.26Å
432	R	73.4	Confident	74.2	Confident	8 Å²	8	36.1 Å²	36.1	3%	0.03	21%	0.208	C	C	.	.			trans	-60.5	124.4	174.5	-66.2	-60.6	-170.8	-174.3	3.3	110.5	F385 N386 Q387 G388 E389 S393 G422 A434	F385-R432 HydrophobicContact CD2-CB 4.29Å; F385-R432 HydrophobicContact CD2-CG 3.77Å; F385-R432 HydrophobicContact CE2-CB 4.43Å; F385-R432 HydrophobicContact CE2-CG 4.07Å; F385-R432 HydrophobicContact CG-CG 4.46Å; N386-R432 WeakPolarHBondContact O-CB 3.21Å; Q387-R432 CarbonylContact C-O 3.59Å; Q387-R432 WeakPolarHBondContact CA-O 3.43Å; Q387-R432 WeakPolarHBondContact CG-O 3.36Å; G388-R432 PolarHBondContact N-O 2.8Å; E389-R432 HydrophobicContact CB-CG 4.29Å; E389-R432 WeakPolarHBondContact O-CG 3.36Å; E389-R432 PolarHBondContact O-N 2.96Å; S393-R432 VanDerWaalsContact N-NH2 3.19Å; S393-R432 PolarHBondContact O-NH1 3.43Å; S393-R432 PolarHBondContact O-NH2 2.65Å; G422-R432 VanDerWaalsContact CA-NH1 3.31Å; G422-R432 PolarHBondContact O-NH1 3.4Å; R432-A434 VanDerWaalsContact C-N 3.3Å; R432-A434 PolarHBondContact O-N 3.48Å
433	A	63.1	Low	74.7	Confident	26 Å²	26	35.7 Å²	35.7	22%	0.215	20%	0.203	C	C	.	.	S	Bend	trans	-78.7	-10.3	177	0	0	0	0	0	114.1	I104 Q387 P431	I104-A433 HydrophobicContact CG2-CB 4.14Å; Q387-A433 PolarHBondContact NE2-O 3.35Å; P431-A433 PolarHBondContact O-N 3.26Å
434	A	69.9	Low	75.7	Confident	9 Å²	9	32.1 Å²	32.1	7%	0.074	19%	0.188	C	C	.	.	S	Bend	trans	-153.3	155.9	-179.6	0	0	0	0	0	110.8	F385 V404 V405 I406 R432	F385-A434 WeakPolarHBondContact CE2-O 3.25Å; V404-A434 HydrophobicContact CG1-CB 3.73Å; V405-A434 CarbonylContact O-C 3.51Å; V405-A434 WeakPolarHBondContact O-CA 3.42Å; I406-A434 HydrophobicContact CD1-CB 4.4Å; I406-A434 HydrophobicContact CG1-CB 3.79Å; R432-A434 VanDerWaalsContact C-N 3.3Å; R432-A434 PolarHBondContact O-N 3.48Å
435	S	77.6	Confident	77	Confident	5 Å²	5	30.1 Å²	30.1	4%	0.035	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	149.6	166.7	-55.3	0	0	0	0	110.6	F385 N386 Q387 V405	F385-S435 WeakPolarHBondContact O-CA 3.32Å; N386-S435 WeakPolarHBondContact CA-OG 3.46Å; Q387-S435 PolarHBondContact N-OG 3.49Å; V405-S435 PolarHBondContact N-O 3.11Å; V405-S435 PolarHBondContact O-N 3.28Å
436	I	87.8	Confident	78.5	Confident	4 Å²	4	30 Å²	30	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.7	174.7	-62.2	-64.5	0	0	0	109.4	L384 F385 V402 V404 F421	L384-I436 HydrophobicContact CB-CB 4.19Å; L384-I436 HydrophobicContact CB-CG2 4.04Å; L384-I436 HydrophobicContact CD2-CG2 4.25Å; L384-I436 PolarHBondContact N-O 3.3Å; F385-I436 HydrophobicContact CD2-CG1 4.3Å; F385-I436 HydrophobicContact CE1-CB 4.26Å; F385-I436 HydrophobicContact CE1-CG1 3.88Å; F385-I436 HydrophobicContact CE2-CB 4.2Å; F385-I436 HydrophobicContact CE2-CG1 3.49Å; F385-I436 VanDerWaalsContact CE2-CG1 3.49Å; F385-I436 HydrophobicContact CZ-CB 4.05Å; F385-I436 HydrophobicContact CZ-CD1 4.43Å; F385-I436 HydrophobicContact CZ-CG1 3.24Å; F385-I436 PolarHBondContact O-N 3.38Å; V402-I436 HydrophobicContact CB-CG2 3.81Å; V402-I436 HydrophobicContact CG1-CG2 4.12Å; V402-I436 HydrophobicContact CG2-CG2 3.82Å; V404-I436 HydrophobicContact CB-CD1 4.26Å; V404-I436 HydrophobicContact CG1-CD1 4.18Å; V404-I436 HydrophobicContact CG2-CD1 3.81Å; F421-I436 HydrophobicContact CD2-CD1 4.05Å; F421-I436 HydrophobicContact CD2-CG1 3.78Å; F421-I436 HydrophobicContact CD2-CG2 4.45Å; F421-I436 HydrophobicContact CE2-CB 4.25Å; F421-I436 HydrophobicContact CE2-CD1 4.44Å; F421-I436 HydrophobicContact CE2-CG1 3.86Å; F421-I436 HydrophobicContact CE2-CG2 3.82Å; F421-I436 HydrophobicContact CG-CD1 4.35Å; F421-I436 HydrophobicContact CZ-CG2 3.91Å
437	V	86.1	Confident	79.6	Confident	16 Å²	16	32.4 Å²	32.4	10%	0.097	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.3	-178.4	-171.4	0	0	0	0	109.6	V383 V402 N403 V405 R439	V383-V437 HydrophobicContact CG2-CG1 4.46Å; V383-V437 HydrophobicContact CG2-CG2 4.15Å; V402-V437 CarbonylContact C-O 3.55Å; V402-V437 WeakPolarHBondContact CA-O 3.16Å; N403-V437 PolarHBondContact N-O 3.27Å; N403-V437 PolarHBondContact O-N 3.28Å; N403-V437 VanDerWaalsContact O-N 3.08Å; V405-V437 HydrophobicContact CG2-CG2 4.2Å; V437-R439 PolarHBondContact O-N 2.91Å
438	L	88.1	Confident	80.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.9	178.1	-88.4	64.5	0	0	0	111.1	H377 G381 T382 L384 V402 C443 F445	H377-L438 HydrophobicContact CB-CD2 3.36Å; G381-L438 PolarHBondContact N-O 3.46Å; T382-L438 WeakPolarHBondContact O-CD1 3.49Å; T382-L438 PolarHBondContact O-N 3.26Å; L384-L438 HydrophobicContact CD1-CD1 4.13Å; V402-L438 HydrophobicContact CG1-CD1 4.13Å; V402-L438 HydrophobicContact CG1-CG 4.28Å; L438-C443 HydrophobicContact CD2-CB 3.61Å; L438-C443 HydrophobicContact CG-CB 3.98Å; L438-F445 HydrophobicContact CD1-CE2 4.19Å; L438-F445 HydrophobicContact CD1-CZ 3.98Å; L438-F445 HydrophobicContact CD2-CE2 4.47Å; L438-F445 HydrophobicContact CG-CZ 4.26Å
439	R	85.1	Confident	82.1	Confident	1 Å²	1	25.9 Å²	25.9	0%	0.004	15%	0.147	C	C	.	.			trans	-88.2	-30.1	179.4	-177.8	175.9	-179.4	79.4	2.5	112.1	G156 L158 V164 E166 T167 S401 N403 V437	G156-R439 PolarHBondContact O-NE 2.94Å; G156-R439 PolarHBondContact O-NH2 3.21Å; L158-R439 PolarHBondContact O-NH2 3.48Å; V164-R439 PolarHBondContact O-NH1 3.06Å; V164-R439 PolarHBondContact O-NH2 3.33Å; E166-R439 WeakPolarHBondContact CA-O 3.37Å; T167-R439 PolarHBondContact N-O 3.13Å; S401-R439 WeakPolarHBondContact O-CB 3.27Å; S401-R439 PolarHBondContact O-N 3.2Å; N403-R439 PolarHBondContact OD1-NH1 3.32Å; N403-R439 VanDerWaalsContact OD1-NH1 3.11Å; V437-R439 PolarHBondContact O-N 2.91Å
440	E	85.2	Confident	82.9	Confident	47 Å²	47	22 Å²	22	22%	0.22	13%	0.125	C	C	.	.	S	Bend	trans	-136.5	167	-178	68.3	-168.2	133.6	0	0	113.2	G400 S401 C443	G400-E440 WeakPolarHBondContact CA-OE1 3.45Å; S401-E440 WeakPolarHBondContact CB-OE1 3.38Å; S401-E440 PolarHBondContact N-OE1 2.97Å; S401-E440 PolarHBondContact OG-OE1 2.97Å; E440-C443 PolarHBondContact O-SG 3.36Å
441	D	85.3	Confident	84.1	Confident	45 Å²	45	28.2 Å²	28.2	24%	0.241	15%	0.148	C	C	.	.	S	Bend	trans	-71.7	154.8	178.4	-65.3	-25.5	0	0	0	111.3	G168 S169 A378 K379 G380 C443	G168-D441 WeakPolarHBondContact CA-OD2 3.4Å; S169-D441 PolarHBondContact N-OD2 3.37Å; A378-D441 WeakPolarHBondContact O-CA 3.36Å; A378-D441 VanDerWaalsContact O-CB 3.3Å; A378-D441 WeakPolarHBondContact O-CB 3.36Å; K379-D441 WeakPolarHBondContact CA-OD1 3.44Å; G380-D441 PolarHBondContact N-OD1 2.77Å; D441-C443 PolarHBondContact O-N 2.93Å
442	N	83.1	Confident	85	Confident	40 Å²	40	25.5 Å²	25.5	21%	0.214	13%	0.128	C	C	.	.	S	Bend	trans	56.6	46.8	175.3	-50.4	-53.8	0	0	0	114.8	H377 A378 H444	H377-N442 CarbonylContact O-C 3.58Å; H377-N442 WeakPolarHBondContact O-CA 3.15Å; H377-N442 PolarHBondContact O-N 3.21Å; A378-N442 PolarHBondContact O-N 2.89Å; N442-H444 PolarHBondContact O-CE1 3.42Å; N442-H444 VanDerWaalsContact O-CE1 3.23Å; N442-H444 PolarHBondContact O-ND1 2.81Å
443	C	85.7	Confident	85.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	146.8	173.3	-65.5	0	0	0	0	111.5	S376 H377 K399 L438 E440 D441 F445	S376-C443 WeakPolarHBondContact CA-O 3.28Å; H377-C443 PolarHBondContact N-O 3.21Å; H377-C443 PolarHBondContact O-N 3.43Å; K399-C443 CarbonylContact O-C 3.51Å; K399-C443 VanDerWaalsContact O-CA 3.26Å; K399-C443 WeakPolarHBondContact O-CA 3.49Å; L438-C443 HydrophobicContact CD2-CB 3.61Å; L438-C443 HydrophobicContact CG-CB 3.98Å; E440-C443 PolarHBondContact O-SG 3.36Å; D441-C443 PolarHBondContact O-N 2.93Å; C443-F445 HydrophobicContact CB-CE2 3.6Å; C443-F445 HydrophobicContact CB-CZ 3.62Å
444	H	91.3	Very high	86.2	Confident	7 Å²	7	27.2 Å²	27.2	3%	0.032	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.9	-179.8	-55	-19.1	0	0	0	110.3	I195 F374 E375 L398 K399 N442	I195-H444 WeakPolarHBondContact CG2-CE1 3.31Å; I195-H444 WeakPolarHBondContact CG2-NE2 3.48Å; F374-H444 HydrophobicContact CE2-CB 3.86Å; F374-H444 HydrophobicContact CZ-CB 4.06Å; F374-H444 AromaticContact CZ-CG 3.93Å; E375-H444 CarbonylContact O-C 3.59Å; E375-H444 WeakPolarHBondContact O-CA 3.49Å; L398-H444 HydrophobicContact CB-CB 4.08Å; L398-H444 PolarHBondContact N-O 3.12Å; K399-H444 HydrophobicContact CB-CB 3.87Å; K399-H444 VanDerWaalsContact CB-CD2 3.5Å; K399-H444 WeakPolarHBondContact CB-CD2 3.28Å; K399-H444 VanDerWaalsContact CD-CD2 3.41Å; K399-H444 WeakPolarHBondContact CD-CD2 3.39Å; K399-H444 VanDerWaalsContact CD-NE2 3.31Å; K399-H444 WeakPolarHBondContact CD-NE2 3.49Å; K399-H444 PolarHBondContact N-O 3.09Å; K399-H444 PolarHBondContact O-N 3.02Å; N442-H444 PolarHBondContact O-CE1 3.42Å; N442-H444 VanDerWaalsContact O-CE1 3.23Å; N442-H444 PolarHBondContact O-ND1 2.81Å
445	F	91.6	Very high	86.9	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.9	-175.8	-51.8	-85.9	0	0	0	111.1	E375 H377 L384 Y395 I396 I397 V402 F421 L438 C443	E375-F445 PolarHBondContact N-O 2.95Å; E375-F445 PolarHBondContact O-N 3.06Å; H377-F445 AromaticContact CD2-CE2 3.91Å; L384-F445 HydrophobicContact CD1-CE2 4.4Å; Y395-F445 HydrophobicContact CD1-CB 4.16Å; I396-F445 CarbonylContact O-C 3.58Å; I396-F445 WeakPolarHBondContact O-CA 3.44Å; I397-F445 HydrophobicContact CB-CD1 4.45Å; I397-F445 HydrophobicContact CB-CE1 4.49Å; I397-F445 HydrophobicContact CG1-CD1 4.04Å; I397-F445 HydrophobicContact CG1-CE1 3.9Å; I397-F445 HydrophobicContact CG2-CE1 4.32Å; V402-F445 HydrophobicContact CG1-CE1 3.74Å; V402-F445 HydrophobicContact CG1-CZ 3.64Å; F421-F445 HydrophobicContact CE1-CD1 4.27Å; F421-F445 HydrophobicContact CE1-CE1 4.13Å; F421-F445 HydrophobicContact CZ-CD1 4.18Å; F421-F445 HydrophobicContact CZ-CE1 4.06Å; L438-F445 HydrophobicContact CD1-CE2 4.19Å; L438-F445 HydrophobicContact CD1-CZ 3.98Å; L438-F445 HydrophobicContact CD2-CE2 4.47Å; L438-F445 HydrophobicContact CG-CZ 4.26Å; C443-F445 HydrophobicContact CB-CE2 3.6Å; C443-F445 HydrophobicContact CB-CZ 3.62Å
446	L	93	Very high	87.2	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.7	154.9	-64.1	179	0	0	0	108.8	L332 L351 I354 L372 I373 Y395 I396 L398	L332-L446 HydrophobicContact CD1-CD2 3.41Å; L332-L446 VanDerWaalsContact CD1-CD2 3.41Å; L351-L446 HydrophobicContact CD2-CD1 4.37Å; I354-L446 HydrophobicContact CD1-CD1 3.5Å; I354-L446 VanDerWaalsContact CD1-CD1 3.5Å; L372-L446 HydrophobicContact CD1-CD1 4.43Å; L372-L446 HydrophobicContact CD2-CB 3.98Å; L372-L446 HydrophobicContact CD2-CD1 4.38Å; I373-L446 CarbonylContact O-C 3.5Å; I373-L446 WeakPolarHBondContact O-CA 3.38Å; Y395-L446 CarbonylContact C-O 3.55Å; Y395-L446 VanDerWaalsContact CA-O 3.29Å; Y395-L446 WeakPolarHBondContact CA-O 3.5Å; I396-L446 HydrophobicContact CB-CB 4.27Å; I396-L446 PolarHBondContact N-O 3.25Å; I396-L446 PolarHBondContact O-N 3.22Å; L398-L446 HydrophobicContact CD1-CD1 4.45Å; L398-L446 HydrophobicContact CD1-CD2 3.71Å; L398-L446 HydrophobicContact CD1-CG 3.7Å; L398-L446 HydrophobicContact CD2-CD1 3.97Å; L398-L446 HydrophobicContact CD2-CG 3.92Å; L398-L446 HydrophobicContact CG-CD1 4.42Å; L398-L446 HydrophobicContact CG-CD2 4.39Å; L398-L446 HydrophobicContact CG-CG 3.81Å
447	R	94.1	Very high	86.5	Confident	54 Å²	54	35.4 Å²	35.4	20%	0.204	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.2	-179.5	-168.6	-175.9	83.7	-169.5	12.6	111.1	I373 E375 S393 W394 Y395 D449	I373-R447 HydrophobicContact CB-CB 4.37Å; I373-R447 PolarHBondContact N-O 3.07Å; I373-R447 PolarHBondContact O-N 2.81Å; E375-R447 VanDerWaalsContact OE2-CD 3.32Å; E375-R447 WeakPolarHBondContact OE2-CD 3.22Å; E375-R447 IonicContact OE2-CZ 2.88Å; E375-R447 IonicContact OE2-NE 3.51Å; E375-R447 IonicContact OE2-NH1 2.69Å; E375-R447 PolarHBondContact OE2-NH1 2.92Å; S393-R447 VanDerWaalsContact CB-CG 3.45Å; S393-R447 WeakPolarHBondContact OG-CD 3.23Å; W394-R447 CarbonylContact O-C 3.15Å; W394-R447 VanDerWaalsContact O-CA 3.32Å; W394-R447 WeakPolarHBondContact O-CA 3.35Å; Y395-R447 HydrophobicContact CD1-CB 4.1Å; Y395-R447 HydrophobicContact CD1-CG 3.93Å; Y395-R447 HydrophobicContact CE1-CB 4.05Å; Y395-R447 VanDerWaalsContact CE1-CD 3.46Å; Y395-R447 HydrophobicContact CE1-CG 3.58Å; Y395-R447 HydrophobicContact CE2-CG 4.43Å; R447-D449 IonicContact CZ-OD1 2.86Å; R447-D449 IonicContact CZ-OD2 2.69Å; R447-D449 IonicContact NE-OD1 2.86Å; R447-D449 PolarHBondContact NE-OD1 2.91Å; R447-D449 IonicContact NE-OD2 2.88Å; R447-D449 IonicContact NH2-OD1 3.93Å; R447-D449 PolarHBondContact NH2-OD1 3.27Å; R447-D449 IonicContact NH2-OD2 2.75Å; R447-D449 PolarHBondContact NH2-OD2 3.27Å
448	V	90.8	Very high	85.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.4	168.5	-173.7	0	0	0	0	108.2	L368 V371 L372 S393 W394 D452 F453	L368-V448 HydrophobicContact CD2-CG1 4.28Å; L368-V448 HydrophobicContact CD2-CG2 3.69Å; V371-V448 HydrophobicContact CG2-CG1 4.28Å; L372-V448 HydrophobicContact CD2-CG2 3.4Å; L372-V448 VanDerWaalsContact CD2-CG2 3.4Å; L372-V448 HydrophobicContact CG-CG2 4.26Å; S393-V448 CarbonylContact C-O 3.41Å; S393-V448 VanDerWaalsContact CA-O 3.28Å; S393-V448 WeakPolarHBondContact CA-O 3.44Å; W394-V448 HydrophobicContact CE3-CB 4.18Å; W394-V448 HydrophobicContact CE3-CG2 3.87Å; W394-V448 HydrophobicContact CZ3-CG2 4.27Å; W394-V448 PolarHBondContact N-O 3.45Å; W394-V448 PolarHBondContact O-N 2.93Å; V448-D452 HydrophobicContact CG1-CB 4.43Å; V448-F453 HydrophobicContact CG1-CB 4.03Å
449	D	92.1	Very high	85.3	Confident	40 Å²	40	44.6 Å²	44.6	21%	0.214	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	153.6	-179	-66.6	-19.5	0	0	0	111.4	I373 S393 R447 E451 D452 F453	I373-D449 WeakPolarHBondContact CD1-OD2 3.18Å; S393-D449 PolarHBondContact OG-OD1 3.26Å; R447-D449 IonicContact CZ-OD1 2.86Å; R447-D449 IonicContact CZ-OD2 2.69Å; R447-D449 IonicContact NE-OD1 2.86Å; R447-D449 PolarHBondContact NE-OD1 2.91Å; R447-D449 IonicContact NE-OD2 2.88Å; R447-D449 IonicContact NH2-OD1 3.93Å; R447-D449 PolarHBondContact NH2-OD1 3.27Å; R447-D449 IonicContact NH2-OD2 2.75Å; R447-D449 PolarHBondContact NH2-OD2 3.27Å; D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 3.3Å; D449-D452 PolarHBondContact O-N 3.15Å; D449-F453 WeakPolarHBondContact O-CB 3.48Å; D449-F453 PolarHBondContact O-N 3.49Å
450	K	86.1	Confident	84.7	Confident	37 Å²	37	46 Å²	46	16%	0.161	22%	0.215	C	C	.	.	H	α-helix	trans	-52.7	-43.2	-173.3	-172.6	-179.2	-171.7	171.4	0	113.4	E390 G391 T392 L426 D429 F453 N454	E390-K450 IonicContact OE1-NZ 3.65Å; E390-K450 PolarHBondContact OE1-NZ 2.99Å; G391-K450 WeakPolarHBondContact O-CD 3.49Å; T392-K450 WeakPolarHBondContact O-CB 3.18Å; T392-K450 PolarHBondContact O-N 2.91Å; L426-K450 HydrophobicContact CD2-CB 3.72Å; L426-K450 HydrophobicContact CD2-CD 4.49Å; L426-K450 HydrophobicContact CD2-CG 3.92Å; D429-K450 WeakPolarHBondContact OD1-CE 3.41Å; D429-K450 IonicContact OD1-NZ 3.67Å; D429-K450 PolarHBondContact OD1-NZ 2.78Å; K450-F453 PolarHBondContact O-N 3.42Å; K450-N454 WeakPolarHBondContact O-CB 3.49Å; K450-N454 PolarHBondContact O-N 3.37Å; K450-N454 PolarHBondContact O-ND2 2.93Å
451	E	87.8	Confident	83.9	Confident	165 Å²	165	48.6 Å²	48.6	77%	0.771	23%	0.227	S	C	*	.	H	α-helix	trans	-64.6	-47	-178.5	-66.6	-174.8	-179.6	0	0	111.8	D449 R455	D449-E451 VanDerWaalsContact C-N 3.3Å; D449-E451 PolarHBondContact O-N 3.3Å; E451-R455 VanDerWaalsContact O-CB 3.29Å; E451-R455 WeakPolarHBondContact O-CB 3.29Å; E451-R455 PolarHBondContact O-N 2.9Å
452	D	88.6	Confident	83.1	Confident	28 Å²	28	50.4 Å²	50.4	15%	0.15	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-42.9	176.8	-73.7	-44.2	0	0	0	111.1	V371 V448 D449 N454 R455 I456	V371-D452 HydrophobicContact CB-CB 3.9Å; V371-D452 HydrophobicContact CG1-CB 3.95Å; V371-D452 HydrophobicContact CG2-CB 4.19Å; V448-D452 HydrophobicContact CG1-CB 4.43Å; D449-D452 PolarHBondContact O-N 3.15Å; D452-N454 PolarHBondContact O-N 2.85Å; D452-R455 PolarHBondContact O-N 2.88Å; D452-R455 IonicContact OD1-CZ 3.55Å; D452-R455 IonicContact OD1-NH1 3.55Å; D452-R455 PolarHBondContact OD1-NH1 3.45Å; D452-R455 IonicContact OD1-NH2 3.8Å; D452-R455 PolarHBondContact OD1-NH2 3.08Å; D452-I456 VanDerWaalsContact O-CG1 3.26Å; D452-I456 WeakPolarHBondContact O-CG1 3.44Å; D452-I456 PolarHBondContact O-N 2.95Å
453	F	80.8	Confident	82.6	Confident	24 Å²	24	51.1 Å²	51.1	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-55.4	-50.2	175.8	-178.4	-92.9	0	0	0	111.4	K423 L426 V427 V448 D449 K450 L457	K423-F453 HydrophobicContact CG-CZ 4.46Å; L426-F453 HydrophobicContact CB-CD1 4.05Å; L426-F453 HydrophobicContact CB-CE1 4.22Å; L426-F453 HydrophobicContact CD1-CB 4.06Å; L426-F453 HydrophobicContact CD1-CD1 4.12Å; L426-F453 HydrophobicContact CD1-CD2 4.11Å; L426-F453 HydrophobicContact CD1-CG 3.83Å; V427-F453 HydrophobicContact CG2-CE1 4.03Å; V427-F453 HydrophobicContact CG2-CZ 4.16Å; V448-F453 HydrophobicContact CG1-CB 4.03Å; D449-F453 WeakPolarHBondContact O-CB 3.48Å; D449-F453 PolarHBondContact O-N 3.49Å; K450-F453 PolarHBondContact O-N 3.42Å; F453-L457 HydrophobicContact CD1-CD1 4.03Å; F453-L457 HydrophobicContact CE1-CD1 3.52Å; F453-L457 HydrophobicContact CE1-CG 4.5Å; F453-L457 HydrophobicContact CZ-CD1 4.01Å; F453-L457 WeakPolarHBondContact O-CG 3.27Å; F453-L457 PolarHBondContact O-N 3.3Å
454	N	79.4	Confident	82.2	Confident	46 Å²	46	52.3 Å²	52.3	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-70.5	-34.2	179	-72	-26.3	0	0	0	112.4	K450 D452 L457 R458	K450-N454 WeakPolarHBondContact O-CB 3.49Å; K450-N454 PolarHBondContact O-N 3.37Å; K450-N454 PolarHBondContact O-ND2 2.93Å; D452-N454 PolarHBondContact O-N 2.85Å; N454-L457 PolarHBondContact O-N 2.85Å; N454-R458 WeakPolarHBondContact O-CG 3.32Å; N454-R458 PolarHBondContact O-N 3.42Å
455	R	86.2	Confident	81.5	Confident	89 Å²	89	54.4 Å²	54.4	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-49.4	174.4	-176.6	-179.3	74.4	-127.2	-7.3	110.8	E451 D452 L457 R458 D459	E451-R455 VanDerWaalsContact O-CB 3.29Å; E451-R455 WeakPolarHBondContact O-CB 3.29Å; E451-R455 PolarHBondContact O-N 2.9Å; D452-R455 PolarHBondContact O-N 2.88Å; D452-R455 IonicContact OD1-CZ 3.55Å; D452-R455 IonicContact OD1-NH1 3.55Å; D452-R455 PolarHBondContact OD1-NH1 3.45Å; D452-R455 IonicContact OD1-NH2 3.8Å; D452-R455 PolarHBondContact OD1-NH2 3.08Å; R455-L457 VanDerWaalsContact C-N 3.29Å; R455-L457 PolarHBondContact O-N 3.46Å; R455-R458 PolarHBondContact O-N 3.31Å; R455-R458 VanDerWaalsContact O-N 3.11Å; R455-D459 VanDerWaalsContact CG-OD2 3.31Å; R455-D459 WeakPolarHBondContact CG-OD2 3.33Å; R455-D459 WeakPolarHBondContact O-CB 3.31Å; R455-D459 VanDerWaalsContact O-CG 3.27Å; R455-D459 PolarHBondContact O-N 3.47Å
456	I	82.4	Confident	80.8	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-44	179.8	-67	173.3	0	0	0	110.6	V364 E367 L368 V371 D452 R458 D459 V460	V364-I456 HydrophobicContact CG1-CG2 4.24Å; V364-I456 HydrophobicContact CG2-CG2 4.4Å; E367-I456 HydrophobicContact CB-CD1 3.92Å; E367-I456 HydrophobicContact CB-CG1 3.9Å; E367-I456 HydrophobicContact CB-CG2 4.02Å; L368-I456 HydrophobicContact CD2-CD1 3.99Å; L368-I456 HydrophobicContact CG-CD1 4.42Å; V371-I456 HydrophobicContact CG1-CD1 4.39Å; V371-I456 HydrophobicContact CG2-CD1 3.57Å; D452-I456 VanDerWaalsContact O-CG1 3.26Å; D452-I456 WeakPolarHBondContact O-CG1 3.44Å; D452-I456 PolarHBondContact O-N 2.95Å; I456-R458 PolarHBondContact O-N 3.48Å; I456-D459 PolarHBondContact O-N 2.65Å; I456-V460 HydrophobicContact CG2-CG2 4.44Å; I456-V460 WeakPolarHBondContact O-CB 3.26Å; I456-V460 WeakPolarHBondContact O-CG2 3.35Å; I456-V460 PolarHBondContact O-N 3.4Å
457	L	72.9	Confident	79.8	Confident	95 Å²	95	63.8 Å²	63.8	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-42.2	176.7	-68.9	177.6	0	0	0	112.7	F453 N454 R455 E461	F453-L457 HydrophobicContact CD1-CD1 4.03Å; F453-L457 HydrophobicContact CE1-CD1 3.52Å; F453-L457 HydrophobicContact CE1-CG 4.5Å; F453-L457 HydrophobicContact CZ-CD1 4.01Å; F453-L457 WeakPolarHBondContact O-CG 3.27Å; F453-L457 PolarHBondContact O-N 3.3Å; N454-L457 PolarHBondContact O-N 2.85Å; R455-L457 VanDerWaalsContact C-N 3.29Å; R455-L457 PolarHBondContact O-N 3.46Å; L457-E461 PolarHBondContact O-N 3.3Å
458	R	75.1	Confident	78.6	Confident	146 Å²	146	66.8 Å²	66.8	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-66.9	-42.3	176.5	-72.3	-172	-55.4	-95.8	-0.6	112.3	N454 R455 I456 V460 E461 A462	N454-R458 WeakPolarHBondContact O-CG 3.32Å; N454-R458 PolarHBondContact O-N 3.42Å; R455-R458 PolarHBondContact O-N 3.31Å; R455-R458 VanDerWaalsContact O-N 3.11Å; I456-R458 PolarHBondContact O-N 3.48Å; R458-V460 VanDerWaalsContact C-N 3.33Å; R458-E461 PolarHBondContact O-N 3.05Å; R458-A462 VanDerWaalsContact O-CB 3.31Å; R458-A462 WeakPolarHBondContact O-CB 3.44Å; R458-A462 PolarHBondContact O-N 3.33Å
459	D	75.3	Confident	77.6	Confident	62 Å²	62	70.8 Å²	70.8	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-68.5	-35.5	-177.7	-69.3	-8.6	0	0	0	111	R455 I456 N463	R455-D459 VanDerWaalsContact CG-OD2 3.31Å; R455-D459 WeakPolarHBondContact CG-OD2 3.33Å; R455-D459 WeakPolarHBondContact O-CB 3.31Å; R455-D459 VanDerWaalsContact O-CG 3.27Å; R455-D459 PolarHBondContact O-N 3.47Å; I456-D459 PolarHBondContact O-N 2.65Å; D459-N463 WeakPolarHBondContact O-CB 3.39Å; D459-N463 VanDerWaalsContact O-CG 3.26Å; D459-N463 PolarHBondContact O-N 3.45Å; D459-N463 PolarHBondContact O-ND2 3.07Å
460	V	71.6	Confident	76.9	Confident	31 Å²	31	77.6 Å²	77.6	19%	0.188	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-46.2	171.8	171.2	0	0	0	0	111	V364 I456 R458 N463 T464	V364-V460 HydrophobicContact CG2-CG2 3.85Å; I456-V460 HydrophobicContact CG2-CG2 4.44Å; I456-V460 WeakPolarHBondContact O-CB 3.26Å; I456-V460 WeakPolarHBondContact O-CG2 3.35Å; I456-V460 PolarHBondContact O-N 3.4Å; R458-V460 VanDerWaalsContact C-N 3.33Å; V460-N463 PolarHBondContact O-N 3.07Å; V460-T464 PolarHBondContact O-N 2.63Å; V460-T464 PolarHBondContact O-OG1 2.95Å
461	E	69.1	Low	76.3	Confident	101 Å²	101	82 Å²	82	47%	0.472	40%	0.402	S	S	.	.	H	α-helix	trans	-67.5	-39.7	178.1	-166.4	63.4	-155.1	0	0	111.6	L457 R458 N463 T464 R466	L457-E461 PolarHBondContact O-N 3.3Å; R458-E461 PolarHBondContact O-N 3.05Å; E461-N463 PolarHBondContact O-N 3.32Å; E461-T464 PolarHBondContact O-N 3.43Å; E461-R466 IonicContact OE1-NE 3.9Å; E461-R466 PolarHBondContact OE1-NE 3.47Å; E461-R466 IonicContact OE2-NH2 3.26Å
462	A	68.7	Low	75.3	Confident	83 Å²	83	80.9 Å²	80.9	69%	0.686	40%	0.397	S	S	*	.	H	α-helix	trans	-63.4	-26.4	176.6	0	0	0	0	0	113.2	R458	R458-A462 VanDerWaalsContact O-CB 3.31Å; R458-A462 WeakPolarHBondContact O-CB 3.44Å; R458-A462 PolarHBondContact O-N 3.33Å
463	N	72.1	Confident	74.7	Confident	55 Å²	55	81.6 Å²	81.6	29%	0.294	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.1	175.8	-72.2	-44	0	0	0	113.2	D459 V460 E461 E478 K479	D459-N463 WeakPolarHBondContact O-CB 3.39Å; D459-N463 VanDerWaalsContact O-CG 3.26Å; D459-N463 PolarHBondContact O-N 3.45Å; D459-N463 PolarHBondContact O-ND2 3.07Å; V460-N463 PolarHBondContact O-N 3.07Å; E461-N463 PolarHBondContact O-N 3.32Å; N463-E478 CarbonylContact O-C 3.58Å; N463-E478 WeakPolarHBondContact O-CA 3.3Å; N463-K479 HydrophobicContact CB-CB 4.1Å; N463-K479 WeakPolarHBondContact O-CB 3.49Å; N463-K479 PolarHBondContact O-N 3.07Å
464	T	76.2	Confident	74.7	Confident	25 Å²	25	81.1 Å²	81.1	15%	0.153	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.7	-179.8	-58.5	0	0	0	0	110.7	V460 E461 R466 V476 L477	V460-T464 PolarHBondContact O-N 2.63Å; V460-T464 PolarHBondContact O-OG1 2.95Å; E461-T464 PolarHBondContact O-N 3.43Å; T464-R466 HydrophobicContact CG2-CG 4.17Å; T464-V476 HydrophobicContact CG2-CG1 3.67Å; T464-L477 CarbonylContact C-O 3.56Å; T464-L477 WeakPolarHBondContact CA-O 3.24Å
465	V	76.8	Confident	74.5	Confident	51 Å²	51	79.1 Å²	79.1	31%	0.309	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.1	173.6	175	0	0	0	0	108.4	L467 V476 L477 Y498	V465-L467 HydrophobicContact CG1-CD2 4.43Å; V465-V476 WeakPolarHBondContact O-CA 3.49Å; V465-L477 HydrophobicContact CB-CB 4.25Å; V465-L477 PolarHBondContact N-O 3.43Å; V465-L477 PolarHBondContact O-N 2.88Å; V465-Y498 HydrophobicContact CB-CE1 4.45Å; V465-Y498 HydrophobicContact CG2-CD1 4.18Å; V465-Y498 HydrophobicContact CG2-CE1 3.53Å
466	R	78.3	Confident	74.3	Confident	116 Å²	116	75.5 Å²	75.5	44%	0.438	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.4	178.1	-60.3	173.7	-177.8	-94.5	-2.6	109.3	E461 T464 D473 V476	E461-R466 IonicContact OE1-NE 3.9Å; E461-R466 PolarHBondContact OE1-NE 3.47Å; E461-R466 IonicContact OE2-NH2 3.26Å; T464-R466 HydrophobicContact CG2-CG 4.17Å; R466-D473 WeakPolarHBondContact CD-OD2 3.42Å; R466-D473 IonicContact CZ-OD2 3.5Å; R466-D473 IonicContact NH1-OD2 3.84Å; R466-D473 PolarHBondContact NH1-OD2 3.35Å; R466-V476 HydrophobicContact CG-CG1 4.31Å; R466-V476 HydrophobicContact CG-CG2 4.33Å
467	L	70.5	Confident	74.2	Confident	83 Å²	83	75.8 Å²	75.8	44%	0.435	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.5	168.9	-57.4	-177.2	0	0	0	108.5	V465 V474 L475	V465-L467 HydrophobicContact CG1-CD2 4.43Å; L467-V474 HydrophobicContact CB-CG2 4.3Å; L467-V474 WeakPolarHBondContact O-CG2 3.42Å; L467-V474 PolarHBondContact O-N 3.29Å; L467-L475 HydrophobicContact CB-CB 4.14Å; L467-L475 HydrophobicContact CD1-CB 4.14Å; L467-L475 HydrophobicContact CD1-CD2 3.84Å; L467-L475 HydrophobicContact CG-CB 4.37Å; L467-L475 PolarHBondContact N-O 2.96Å; L467-L475 PolarHBondContact O-N 2.81Å
468	K	69.7	Low	74.4	Confident	117 Å²	117	72.1 Å²	72.1	51%	0.509	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.7	-179.4	-71.6	-176.6	162.6	-160.3	0	111.8	D471 Q472 D473	K468-D471 IonicContact NZ-OD1 2.78Å; K468-D471 PolarHBondContact NZ-OD1 3.49Å; K468-Q472 CarbonylContact C-O 3.53Å; K468-Q472 WeakPolarHBondContact CA-O 3.29Å; K468-D473 WeakPolarHBondContact CE-OD1 3.45Å; K468-D473 WeakPolarHBondContact CG-OD1 3.04Å
469	E	70	Confident	74.5	Confident	85 Å²	85	67.8 Å²	67.8	40%	0.397	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.6	164.6	-67.5	-177.5	162.1	0	0	108.1	D471 Q472 V474 K507	E469-D471 PolarHBondContact O-N 3.49Å; E469-Q472 PolarHBondContact N-O 3.47Å; E469-Q472 PolarHBondContact O-N 3.05Å; E469-V474 HydrophobicContact CB-CG1 3.86Å; E469-V474 HydrophobicContact CB-CG2 4.32Å; E469-V474 HydrophobicContact CG-CG1 4.28Å; E469-V474 HydrophobicContact CG-CG2 3.9Å; E469-K507 WeakPolarHBondContact OE1-CE 3.41Å; E469-K507 IonicContact OE1-NZ 3.27Å; E469-K507 PolarHBondContact OE1-NZ 2.9Å; E469-K507 WeakPolarHBondContact OE2-CE 3.33Å
470	H	77.1	Confident	73.9	Confident	183 Å²	183	67.9 Å²	67.9	85%	0.847	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	37.7	-176.5	-47	95.5	0	0	0	113.4	Q472	H470-Q472 PolarHBondContact O-N 2.98Å
471	D	73.5	Confident	73	Confident	129 Å²	129	69.9 Å²	69.9	69%	0.69	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	16.6	-176.2	-160.3	26.4	0	0	0	115.7	K468 E469	K468-D471 IonicContact NZ-OD1 2.78Å; K468-D471 PolarHBondContact NZ-OD1 3.49Å; E469-D471 PolarHBondContact O-N 3.49Å
472	Q	67.6	Low	72	Confident	143 Å²	143	69.3 Å²	69.3	67%	0.668	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	139.9	170.8	-64.4	-176.2	-5.7	0	0	110	K468 E469 H470 V474	K468-Q472 CarbonylContact C-O 3.53Å; K468-Q472 WeakPolarHBondContact CA-O 3.29Å; E469-Q472 PolarHBondContact N-O 3.47Å; E469-Q472 PolarHBondContact O-N 3.05Å; H470-Q472 PolarHBondContact O-N 2.98Å; Q472-V474 PolarHBondContact O-N 3.08Å
473	D	76.2	Confident	70.7	Confident	42 Å²	42	68 Å²	68	23%	0.225	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.4	172.5	-71.7	-2.9	0	0	0	108.7	R466 K468 V476 L945	R466-D473 WeakPolarHBondContact CD-OD2 3.42Å; R466-D473 IonicContact CZ-OD2 3.5Å; R466-D473 IonicContact NH1-OD2 3.84Å; R466-D473 PolarHBondContact NH1-OD2 3.35Å; K468-D473 WeakPolarHBondContact CE-OD1 3.45Å; K468-D473 WeakPolarHBondContact CG-OD1 3.04Å; D473-V476 HydrophobicContact CB-CG2 4.45Å; D473-L945 HydrophobicContact CB-CD1 4.24Å; D473-L945 WeakPolarHBondContact O-CD1 3.36Å; D473-L945 WeakPolarHBondContact O-CD2 3.33Å
474	V	79.8	Confident	69.1	Low	15 Å²	15	73.2 Å²	73.2	9%	0.091	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-20.3	178.4	-65.9	0	0	0	0	113.3	L467 E469 Q472 G503 T504 K507	L467-V474 HydrophobicContact CB-CG2 4.3Å; L467-V474 WeakPolarHBondContact O-CG2 3.42Å; L467-V474 PolarHBondContact O-N 3.29Å; E469-V474 HydrophobicContact CB-CG1 3.86Å; E469-V474 HydrophobicContact CB-CG2 4.32Å; E469-V474 HydrophobicContact CG-CG1 4.28Å; E469-V474 HydrophobicContact CG-CG2 3.9Å; Q472-V474 PolarHBondContact O-N 3.08Å; V474-G503 CarbonylContact O-C 3.56Å; V474-G503 WeakPolarHBondContact O-CA 3.25Å; V474-T504 HydrophobicContact CB-CG2 4.48Å; V474-T504 PolarHBondContact O-N 3.43Å; V474-K507 HydrophobicContact CB-CG 3.99Å; V474-K507 HydrophobicContact CG2-CG 4Å
475	L	76.2	Confident	67.1	Low	4 Å²	4	83.3 Å²	83.3	2%	0.021	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	128.4	172.6	-167.9	71.9	0	0	0	109.7	L467 L477 V500 S502 K507 I508 H511	L467-L475 HydrophobicContact CB-CB 4.14Å; L467-L475 HydrophobicContact CD1-CB 4.14Å; L467-L475 HydrophobicContact CD1-CD2 3.84Å; L467-L475 HydrophobicContact CG-CB 4.37Å; L467-L475 PolarHBondContact N-O 2.96Å; L467-L475 PolarHBondContact O-N 2.81Å; L475-L477 HydrophobicContact CD2-CD1 4.31Å; L475-L477 HydrophobicContact CD2-CD2 4.03Å; L475-L477 HydrophobicContact CD2-CG 4.21Å; L475-L477 HydrophobicContact CG-CD2 4.17Å; L475-L477 HydrophobicContact CG-CG 4.32Å; L475-V500 HydrophobicContact CD1-CG1 3.85Å; L475-S502 WeakPolarHBondContact CA-O 3.28Å; L475-K507 HydrophobicContact CB-CB 4.42Å; L475-I508 HydrophobicContact CD1-CG1 3.98Å; L475-H511 HydrophobicContact CD2-CB 3.85Å
476	V	81.1	Confident	64.9	Low	12 Å²	12	86 Å²	86	7%	0.073	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.5	175.3	-174.6	0	0	0	0	108.6	T464 V465 R466 D473 M501 S502	T464-V476 HydrophobicContact CG2-CG1 3.67Å; V465-V476 WeakPolarHBondContact O-CA 3.49Å; R466-V476 HydrophobicContact CG-CG1 4.31Å; R466-V476 HydrophobicContact CG-CG2 4.33Å; D473-V476 HydrophobicContact CB-CG2 4.45Å; V476-M501 HydrophobicContact CB-CB 4.48Å; V476-M501 HydrophobicContact CG1-CB 4.36Å; V476-M501 PolarHBondContact O-N 2.69Å; V476-S502 PolarHBondContact N-O 3.44Å; V476-S502 PolarHBondContact O-N 3.37Å
477	L	80.4	Confident	62.8	Low	14 Å²	14	85 Å²	85	7%	0.073	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.2	-179.5	-59.4	172.5	0	0	0	109.2	T464 V465 L475 Y498 T499 V500	T464-L477 CarbonylContact C-O 3.56Å; T464-L477 WeakPolarHBondContact CA-O 3.24Å; V465-L477 HydrophobicContact CB-CB 4.25Å; V465-L477 PolarHBondContact N-O 3.43Å; V465-L477 PolarHBondContact O-N 2.88Å; L475-L477 HydrophobicContact CD2-CD1 4.31Å; L475-L477 HydrophobicContact CD2-CD2 4.03Å; L475-L477 HydrophobicContact CD2-CG 4.21Å; L475-L477 HydrophobicContact CG-CD2 4.17Å; L475-L477 HydrophobicContact CG-CG 4.32Å; L477-Y498 HydrophobicContact CB-CD1 4.24Å; L477-T499 CarbonylContact C-O 3.6Å; L477-T499 VanDerWaalsContact CA-O 3.29Å; L477-T499 WeakPolarHBondContact CA-O 2.96Å; L477-V500 HydrophobicContact CD2-CB 4.16Å; L477-V500 HydrophobicContact CD2-CG2 3.73Å
478	E	77.9	Confident	61.1	Low	18 Å²	18	89.2 Å²	89.2	8%	0.084	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.3	172.1	-170.2	179.5	168.2	0	0	109.2	T363 N463 V480 Y498 T499 M501	T363-E478 VanDerWaalsContact CB-OE1 3.25Å; T363-E478 WeakPolarHBondContact CB-OE1 3.38Å; T363-E478 WeakPolarHBondContact CG2-OE1 3.29Å; T363-E478 PolarHBondContact OG1-OE1 3.27Å; N463-E478 CarbonylContact O-C 3.58Å; N463-E478 WeakPolarHBondContact O-CA 3.3Å; E478-V480 PolarHBondContact O-N 3.44Å; E478-Y498 CarbonylContact O-C 3.43Å; E478-Y498 WeakPolarHBondContact O-CA 3.31Å; E478-T499 PolarHBondContact N-O 3.32Å; E478-T499 PolarHBondContact O-N 3.08Å; E478-T499 PolarHBondContact O-OG1 3.25Å; E478-T499 VanDerWaalsContact O-OG1 3.14Å; E478-M501 HydrophobicContact CB-CG 3.63Å; E478-M501 HydrophobicContact CB-SD 3.94Å; E478-M501 WeakPolarHBondContact OE2-CE 3.29Å
479	K	75.8	Confident	59.5	Low	55 Å²	55	92.7 Å²	92.7	24%	0.239	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.1	176.5	-174.3	172.9	173.9	175.7	0	109.2	N463 P481 Q496 Y498	N463-K479 HydrophobicContact CB-CB 4.1Å; N463-K479 WeakPolarHBondContact O-CB 3.49Å; N463-K479 PolarHBondContact O-N 3.07Å; K479-P481 VanDerWaalsContact O-CD 3.29Å; K479-P481 WeakPolarHBondContact O-CD 3.46Å; K479-Q496 VanDerWaalsContact CE-OE1 3.31Å; K479-Y498 HydrophobicContact CB-CD1 4.02Å; K479-Y498 HydrophobicContact CB-CE1 3.75Å; K479-Y498 HydrophobicContact CG-CE1 4.33Å
480	V	63.2	Low	57.7	Low	64 Å²	64	92 Å²	92	39%	0.388	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-69.3	120.8	175	-178.2	0	0	0	0	108.2	E478 A482 K497 T499	E478-V480 PolarHBondContact O-N 3.44Å; V480-A482 PolarHBondContact O-N 2.85Å; V480-K497 WeakPolarHBondContact CB-O 3.29Å; V480-K497 WeakPolarHBondContact CG2-O 2.95Å; V480-K497 PolarHBondContact N-O 3.28Å; V480-T499 HydrophobicContact CG2-CG2 3.27Å
481	P	53.6	Low	55.6	Low	72 Å²	72	92 Å²	92	47%	0.468	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-57.9	134.9	171	-18.5	30.1	0	0	0	108.1	K479 G483	K479-P481 VanDerWaalsContact O-CD 3.29Å; K479-P481 WeakPolarHBondContact O-CD 3.46Å; P481-G483 PolarHBondContact O-N 3.12Å
482	A	46.5	Very low	53.7	Low	89 Å²	89	90.8 Å²	90.8	74%	0.736	53%	0.533	S	S	*	.			trans	-63.8	88.3	176.4	0	0	0	0	0	109.3	V480 N484	V480-A482 PolarHBondContact O-N 2.85Å; A482-N484 PolarHBondContact O-N 3.32Å
483	G	42	Very low	51.9	Low	57 Å²	57	92.5 Å²	92.5	59%	0.588	54%	0.541	S	S	*	.			trans	-64.7	117.5	165.9	0	0	0	0	0	107.4	P481 R485	P481-G483 PolarHBondContact O-N 3.12Å; G483-R485 PolarHBondContact O-N 3.27Å
484	N	38.9	Very low	50.1	Low	164 Å²	164	96.2 Å²	96.2	88%	0.877	57%	0.568	S	S	*	*			trans	-63.7	82.6	176.5	-88.4	-4.9	0	0	0	110.3	A482 A486	A482-N484 PolarHBondContact O-N 3.32Å; N484-A486 VanDerWaalsContact C-N 3.33Å; N484-A486 PolarHBondContact O-N 2.95Å; N484-A486 VanDerWaalsContact O-N 3.09Å
485	R	33.3	Very low	48.3	Very low	237 Å²	237	102 Å²	102	89%	0.894	59%	0.593	S	S	*	*			trans	-72.1	96.9	156.7	-77.2	-171.6	176.9	-171.7	-1	107	G483 S487	G483-R485 PolarHBondContact O-N 3.27Å; R485-S487 VanDerWaalsContact C-N 3.33Å; R485-S487 PolarHBondContact O-N 3.15Å
486	A	32.3	Very low	46.9	Very low	106 Å²	106	108 Å²	108	88%	0.876	62%	0.622	S	S	*	*			trans	-63.3	97.2	162.5	0	0	0	0	0	108.5	N484	N484-A486 VanDerWaalsContact C-N 3.33Å; N484-A486 PolarHBondContact O-N 2.95Å; N484-A486 VanDerWaalsContact O-N 3.09Å
487	S	32.7	Very low	46.1	Very low	97 Å²	97	113.2 Å²	113.2	68%	0.678	64%	0.643	S	S	*	*			trans	-135.3	111.9	156.1	57.6	0	0	0	0	107.6	R485 Q489	R485-S487 VanDerWaalsContact C-N 3.33Å; R485-S487 PolarHBondContact O-N 3.15Å; S487-Q489 PolarHBondContact O-N 3Å
488	N	35.5	Very low	45.9	Very low	171 Å²	171	117.1 Å²	117.1	91%	0.914	66%	0.658	S	S	*	*			trans	-48.2	102.5	168.7	-79.7	-22.9	0	0	0	110.3
489	Q	36.9	Very low	46.3	Very low	190 Å²	190	117.8 Å²	117.8	89%	0.888	66%	0.663	S	S	*	*			trans	-157.5	139.1	152.4	-104.3	170.4	33.8	0	0	107.9	S487	S487-Q489 PolarHBondContact O-N 3Å
490	G	31.5	Very low	46.8	Very low	69 Å²	69	115.4 Å²	115.4	71%	0.711	65%	0.653	S	S	*	*			trans	-68.3	171.7	-150.1	0	0	0	0	0	118.1	S492	G490-S492 PolarHBondContact O-N 3.17Å
491	N	32.2	Very low	47.9	Very low	183 Å²	183	113.6 Å²	113.6	98%	0.979	64%	0.641	S	S	*	*			trans	-20.9	93.2	174.4	-87.9	-5	0	0	0	115.8
492	S	33.2	Very low	49.6	Very low	104 Å²	104	111 Å²	111	73%	0.727	62%	0.624	S	S	*	*			trans	-143.9	129.7	147.6	48.8	0	0	0	0	106.6	G490	G490-S492 PolarHBondContact O-N 3.17Å
493	Q	31.2	Very low	51.6	Low	180 Å²	180	106.7 Å²	106.7	84%	0.841	59%	0.589	S	S	*	*			trans	-54.3	135.8	-178.7	-72.5	-178.1	-18.2	0	0	110	Q495	Q493-Q495 PolarHBondContact O-N 3.32Å
494	P	37.2	Very low	53.9	Low	119 Å²	119	105.7 Å²	105.7	77%	0.773	57%	0.572	S	S	*	*			trans	-66.1	101.6	172.3	25.8	-30.6	0	0	0	108.4	Q496	P494-Q496 PolarHBondContact O-N 3.06Å; P494-Q496 VanDerWaalsContact O-N 3.1Å
495	Q	43.4	Very low	56.5	Low	136 Å²	136	99 Å²	99	64%	0.636	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.5	116.7	170.3	-85.9	173.4	-31.1	0	0	108.2	Q493 K497	Q493-Q495 PolarHBondContact O-N 3.32Å; Q495-K497 PolarHBondContact O-N 2.68Å; Q495-K497 VanDerWaalsContact O-N 3.15Å
496	Q	45.2	Very low	59.1	Low	132 Å²	132	92.5 Å²	92.5	62%	0.617	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-56.8	116.7	179.7	-65.3	174.5	4.4	0	0	109.1	K479 P494	K479-Q496 VanDerWaalsContact CE-OE1 3.31Å; P494-Q496 PolarHBondContact O-N 3.06Å; P494-Q496 VanDerWaalsContact O-N 3.1Å
497	K	64.8	Low	61.7	Low	120 Å²	120	89 Å²	89	52%	0.522	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-100.2	124	-172.3	-163.5	173.1	-177.3	176.5	0	109.6	V480 Q495	V480-K497 WeakPolarHBondContact CB-O 3.29Å; V480-K497 WeakPolarHBondContact CG2-O 2.95Å; V480-K497 PolarHBondContact N-O 3.28Å; Q495-K497 PolarHBondContact O-N 2.68Å; Q495-K497 VanDerWaalsContact O-N 3.15Å
498	Y	77.1	Confident	64.3	Low	96 Å²	96	84.4 Å²	84.4	38%	0.376	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147.5	169.2	-71.3	-88	0	0	0	109.9	V465 L477 E478 K479	V465-Y498 HydrophobicContact CB-CE1 4.45Å; V465-Y498 HydrophobicContact CG2-CD1 4.18Å; V465-Y498 HydrophobicContact CG2-CE1 3.53Å; L477-Y498 HydrophobicContact CB-CD1 4.24Å; E478-Y498 CarbonylContact O-C 3.43Å; E478-Y498 WeakPolarHBondContact O-CA 3.31Å; K479-Y498 HydrophobicContact CB-CD1 4.02Å; K479-Y498 HydrophobicContact CB-CE1 3.75Å; K479-Y498 HydrophobicContact CG-CE1 4.33Å
499	T	84.9	Confident	66.8	Low	33 Å²	33	76.3 Å²	76.3	20%	0.202	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.8	173.6	42.2	0	0	0	0	111	L477 E478 V480 M501	L477-T499 CarbonylContact C-O 3.6Å; L477-T499 VanDerWaalsContact CA-O 3.29Å; L477-T499 WeakPolarHBondContact CA-O 2.96Å; E478-T499 PolarHBondContact N-O 3.32Å; E478-T499 PolarHBondContact O-N 3.08Å; E478-T499 PolarHBondContact O-OG1 3.25Å; E478-T499 VanDerWaalsContact O-OG1 3.14Å; V480-T499 HydrophobicContact CG2-CG2 3.27Å; T499-M501 PolarHBondContact O-N 3.25Å
500	V	86.8	Confident	69	Low	4 Å²	4	70 Å²	70	2%	0.024	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	127.1	172.7	-173.7	0	0	0	0	109.6	L475 L477 I508 H511 F512 F948 R952	L475-V500 HydrophobicContact CD1-CG1 3.85Å; L477-V500 HydrophobicContact CD2-CB 4.16Å; L477-V500 HydrophobicContact CD2-CG2 3.73Å; V500-I508 HydrophobicContact CG1-CG1 4.21Å; V500-H511 WeakPolarHBondContact CG2-CD2 3.34Å; V500-F512 HydrophobicContact CG2-CE2 4.26Å; V500-F512 HydrophobicContact CG2-CZ 4.32Å; V500-F948 HydrophobicContact CB-CB 4.39Å; V500-F948 HydrophobicContact CB-CD1 3.86Å; V500-F948 HydrophobicContact CB-CG 4.28Å; V500-F948 HydrophobicContact CG1-CB 3.79Å; V500-F948 HydrophobicContact CG1-CD1 4.09Å; V500-F948 HydrophobicContact CG1-CG 3.98Å; V500-R952 PolarHBondContact O-NH2 3.1Å
501	M	86.6	Confident	71.5	Confident	26 Å²	26	68.2 Å²	68.2	13%	0.128	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-48.9	174.9	-60.4	-52	-72.4	0	0	110.6	V476 E478 T499 F948 E949	V476-M501 HydrophobicContact CB-CB 4.48Å; V476-M501 HydrophobicContact CG1-CB 4.36Å; V476-M501 PolarHBondContact O-N 2.69Å; E478-M501 HydrophobicContact CB-CG 3.63Å; E478-M501 HydrophobicContact CB-SD 3.94Å; E478-M501 WeakPolarHBondContact OE2-CE 3.29Å; T499-M501 PolarHBondContact O-N 3.25Å; M501-F948 WeakPolarHBondContact O-CA 3.41Å; M501-F948 PolarHBondContact O-N 3.1Å; M501-E949 HydrophobicContact CE-CB 3.98Å; M501-E949 HydrophobicContact CE-CG 4.01Å; M501-E949 PolarHBondContact O-N 2.8Å; M501-E949 VanDerWaalsContact O-N 3.13Å
502	S	89.6	Confident	74	Confident	17 Å²	17	59.9 Å²	59.9	12%	0.119	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161.3	173.7	61.8	0	0	0	0	112.2	L475 V476 V946	L475-S502 WeakPolarHBondContact CA-O 3.28Å; V476-S502 PolarHBondContact N-O 3.44Å; V476-S502 PolarHBondContact O-N 3.37Å; S502-V946 CarbonylContact C-O 3.57Å; S502-V946 WeakPolarHBondContact CA-O 3.46Å; S502-V946 VanDerWaalsContact CB-O 3.25Å; S502-V946 WeakPolarHBondContact CB-O 3.46Å
503	G	87.8	Confident	76.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	173.9	173.2	0	0	0	0	0	113.4	V474 I508 V946	V474-G503 CarbonylContact O-C 3.56Å; V474-G503 WeakPolarHBondContact O-CA 3.25Å; G503-I508 WeakPolarHBondContact O-CD1 3.37Å; G503-V946 PolarHBondContact N-O 3.47Å; G503-V946 VanDerWaalsContact N-O 3.14Å; G503-V946 VanDerWaalsContact O-CB 3.31Å; G503-V946 WeakPolarHBondContact O-CB 3.46Å; G503-V946 PolarHBondContact O-N 2.94Å
504	T	91.1	Very high	78.5	Confident	36 Å²	36	51.2 Å²	51.2	22%	0.221	25%	0.253	C	S	.	.			trans	-69.7	151.5	169.8	62.8	0	0	0	0	110.7	V474 E506 K507 I508 L945	V474-T504 HydrophobicContact CB-CG2 4.48Å; V474-T504 PolarHBondContact O-N 3.43Å; T504-E506 PolarHBondContact O-N 3.34Å; T504-K507 PolarHBondContact O-N 3.22Å; T504-K507 VanDerWaalsContact OG1-CB 3.3Å; T504-K507 WeakPolarHBondContact OG1-CB 3.11Å; T504-K507 WeakPolarHBondContact OG1-CG 3.47Å; T504-K507 PolarHBondContact OG1-N 2.97Å; T504-I508 WeakPolarHBondContact O-CB 3.48Å; T504-I508 VanDerWaalsContact O-CG1 3.25Å; T504-I508 WeakPolarHBondContact O-CG1 3.14Å; T504-I508 PolarHBondContact O-N 3.18Å; T504-L945 HydrophobicContact CG2-CD2 3.76Å
505	P	94.4	Very high	80.5	Confident	23 Å²	23	48.3 Å²	48.3	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-49	-45.2	176.2	-30	37.4	0	0	0	113.7	I508 L509 F540 M541 V946	P505-I508 PolarHBondContact O-N 3.28Å; P505-L509 PolarHBondContact O-N 2.92Å; P505-F540 HydrophobicContact CB-CD2 4.1Å; P505-F540 HydrophobicContact CG-CD2 4.26Å; P505-F540 WeakPolarHBondContact CG-O 3.29Å; P505-M541 HydrophobicContact CB-CB 4.07Å; P505-M541 HydrophobicContact CB-CG 4.08Å; P505-M541 HydrophobicContact CB-SD 4.15Å; P505-V946 HydrophobicContact CG-CG2 4.06Å
506	E	87.8	Confident	82.1	Confident	100 Å²	100	42.1 Å²	42.1	47%	0.467	20%	0.204	S	C	.	.	H	α-helix	trans	-66.2	-47.5	-178.7	-63.3	73.9	-163.7	0	0	111.4	T504 I508 L509 E510	T504-E506 PolarHBondContact O-N 3.34Å; E506-I508 VanDerWaalsContact C-N 3.33Å; E506-I508 PolarHBondContact O-N 3.47Å; E506-L509 WeakPolarHBondContact O-CB 3.49Å; E506-L509 PolarHBondContact O-N 2.98Å; E506-E510 WeakPolarHBondContact O-CB 3.45Å; E506-E510 PolarHBondContact O-N 3.02Å
507	K	85	Confident	83.7	Confident	34 Å²	34	41 Å²	41	15%	0.148	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-31	178.2	-72	-51.7	-168.6	-178	0	113.9	E469 V474 L475 T504 E510 H511	E469-K507 WeakPolarHBondContact OE1-CE 3.41Å; E469-K507 IonicContact OE1-NZ 3.27Å; E469-K507 PolarHBondContact OE1-NZ 2.9Å; E469-K507 WeakPolarHBondContact OE2-CE 3.33Å; V474-K507 HydrophobicContact CB-CG 3.99Å; V474-K507 HydrophobicContact CG2-CG 4Å; L475-K507 HydrophobicContact CB-CB 4.42Å; T504-K507 PolarHBondContact O-N 3.22Å; T504-K507 VanDerWaalsContact OG1-CB 3.3Å; T504-K507 WeakPolarHBondContact OG1-CB 3.11Å; T504-K507 WeakPolarHBondContact OG1-CG 3.47Å; T504-K507 PolarHBondContact OG1-N 2.97Å; K507-E510 WeakPolarHBondContact CD-OE2 3.41Å; K507-E510 VanDerWaalsContact NZ-CD 3.34Å; K507-E510 IonicContact NZ-OE1 2.74Å; K507-E510 PolarHBondContact NZ-OE1 3.11Å; K507-E510 VanDerWaalsContact NZ-OE1 3.14Å; K507-E510 IonicContact NZ-OE2 3.35Å; K507-E510 PolarHBondContact NZ-OE2 2.96Å; K507-H511 VanDerWaalsContact O-CB 3.3Å; K507-H511 WeakPolarHBondContact O-CB 3.04Å; K507-H511 PolarHBondContact O-N 3.33Å
508	I	87.6	Confident	84.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-47.5	172.3	-68.4	172	0	0	0	109.5	L475 V500 G503 T504 P505 E506 H511 F512 F533 F540 V946 F948	L475-I508 HydrophobicContact CD1-CG1 3.98Å; V500-I508 HydrophobicContact CG1-CG1 4.21Å; G503-I508 WeakPolarHBondContact O-CD1 3.37Å; T504-I508 WeakPolarHBondContact O-CB 3.48Å; T504-I508 VanDerWaalsContact O-CG1 3.25Å; T504-I508 WeakPolarHBondContact O-CG1 3.14Å; T504-I508 PolarHBondContact O-N 3.18Å; P505-I508 PolarHBondContact O-N 3.28Å; E506-I508 VanDerWaalsContact C-N 3.33Å; E506-I508 PolarHBondContact O-N 3.47Å; I508-H511 PolarHBondContact O-N 3.33Å; I508-F512 HydrophobicContact CG2-CD2 3.72Å; I508-F512 HydrophobicContact CG2-CE2 3.71Å; I508-F512 VanDerWaalsContact O-CD2 3.22Å; I508-F512 WeakPolarHBondContact O-CD2 3.32Å; I508-F512 PolarHBondContact O-N 3.34Å; I508-F533 HydrophobicContact CG2-CD2 3.72Å; I508-F533 HydrophobicContact CG2-CE2 4Å; I508-F540 HydrophobicContact CG2-CZ 4.46Å; I508-V946 HydrophobicContact CD1-CB 3.82Å; I508-V946 HydrophobicContact CD1-CG1 4.25Å; I508-V946 HydrophobicContact CD1-CG2 4.38Å; I508-F948 HydrophobicContact CD1-CB 4.46Å; I508-F948 HydrophobicContact CD1-CD2 4.08Å; I508-F948 HydrophobicContact CG2-CD2 4.03Å; I508-F948 HydrophobicContact CG2-CE2 3.93Å
509	L	89.6	Confident	84.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-49.1	176	171.5	62.1	0	0	0	111.8	P505 E506 H511 F512 L513 F533 M541 L546 A549 L550 L580	P505-L509 PolarHBondContact O-N 2.92Å; E506-L509 WeakPolarHBondContact O-CB 3.49Å; E506-L509 PolarHBondContact O-N 2.98Å; L509-H511 PolarHBondContact O-N 3.27Å; L509-F512 PolarHBondContact O-N 3.28Å; L509-L513 HydrophobicContact CD1-CD1 3.94Å; L509-L513 HydrophobicContact CD1-CG 4.09Å; L509-L513 HydrophobicContact CG-CD1 4.02Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 2.69Å; L509-F533 HydrophobicContact CB-CE2 4.18Å; L509-F533 HydrophobicContact CB-CZ 3.95Å; L509-F533 HydrophobicContact CD1-CE1 3.88Å; L509-F533 HydrophobicContact CD1-CZ 3.68Å; L509-F533 HydrophobicContact CG-CZ 4.37Å; L509-M541 HydrophobicContact CB-SD 4.35Å; L509-M541 HydrophobicContact CD2-CE 3.91Å; L509-M541 HydrophobicContact CD2-SD 4.2Å; L509-L546 HydrophobicContact CD1-CD1 4.08Å; L509-L546 HydrophobicContact CD2-CD1 4.01Å; L509-A549 HydrophobicContact CD2-CB 3.76Å; L509-L550 HydrophobicContact CD1-CD2 4.02Å; L509-L580 HydrophobicContact CD1-CD2 3.54Å
510	E	81.6	Confident	83.7	Confident	58 Å²	58	40.6 Å²	40.6	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-55.3	-50.2	177.7	-174.7	-178.7	147.2	0	0	110.9	E506 K507 F512 L513 E514	E506-E510 WeakPolarHBondContact O-CB 3.45Å; E506-E510 PolarHBondContact O-N 3.02Å; K507-E510 WeakPolarHBondContact CD-OE2 3.41Å; K507-E510 VanDerWaalsContact NZ-CD 3.34Å; K507-E510 IonicContact NZ-OE1 2.74Å; K507-E510 PolarHBondContact NZ-OE1 3.11Å; K507-E510 VanDerWaalsContact NZ-OE1 3.14Å; K507-E510 IonicContact NZ-OE2 3.35Å; K507-E510 PolarHBondContact NZ-OE2 2.96Å; E510-F512 PolarHBondContact O-N 3.49Å; E510-L513 PolarHBondContact O-N 3.09Å; E510-E514 WeakPolarHBondContact O-CG 3.24Å; E510-E514 PolarHBondContact O-N 2.98Å
511	H	83.6	Confident	83.1	Confident	31 Å²	31	46.4 Å²	46.4	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-45.1	178	-179.5	76.5	0	0	0	112.7	L475 V500 K507 I508 L509 L513 E514 T515	L475-H511 HydrophobicContact CD2-CB 3.85Å; V500-H511 WeakPolarHBondContact CG2-CD2 3.34Å; K507-H511 VanDerWaalsContact O-CB 3.3Å; K507-H511 WeakPolarHBondContact O-CB 3.04Å; K507-H511 PolarHBondContact O-N 3.33Å; I508-H511 PolarHBondContact O-N 3.33Å; L509-H511 PolarHBondContact O-N 3.27Å; H511-L513 VanDerWaalsContact C-N 3.35Å; H511-E514 PolarHBondContact O-N 3.49Å; H511-T515 WeakPolarHBondContact O-CB 3.32Å; H511-T515 VanDerWaalsContact O-CG2 3.27Å; H511-T515 WeakPolarHBondContact O-CG2 3.44Å; H511-T515 PolarHBondContact O-N 3.24Å; H511-T515 VanDerWaalsContact O-N 3.09Å; H511-T515 PolarHBondContact O-OG1 3.23Å
512	F	85.2	Confident	82.5	Confident	9 Å²	9	47.2 Å²	47.2	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-36.4	177.7	-83	-67.9	0	0	0	112.1	V500 I508 L509 E510 T515 I516 V529 L530 F533 F948	V500-F512 HydrophobicContact CG2-CE2 4.26Å; V500-F512 HydrophobicContact CG2-CZ 4.32Å; I508-F512 HydrophobicContact CG2-CD2 3.72Å; I508-F512 HydrophobicContact CG2-CE2 3.71Å; I508-F512 VanDerWaalsContact O-CD2 3.22Å; I508-F512 WeakPolarHBondContact O-CD2 3.32Å; I508-F512 PolarHBondContact O-N 3.34Å; L509-F512 PolarHBondContact O-N 3.28Å; E510-F512 PolarHBondContact O-N 3.49Å; F512-T515 PolarHBondContact O-OG1 3.42Å; F512-I516 WeakPolarHBondContact O-CG1 3.28Å; F512-I516 PolarHBondContact O-N 3.06Å; F512-V529 HydrophobicContact CD1-CG1 3.99Å; F512-V529 HydrophobicContact CE1-CG1 3.77Å; F512-V529 VanDerWaalsContact CE1-O 3.28Å; F512-V529 WeakPolarHBondContact CE1-O 3.45Å; F512-L530 HydrophobicContact CB-CD2 4.09Å; F512-L530 HydrophobicContact CD1-CD2 4.08Å; F512-L530 HydrophobicContact CG-CD2 4.49Å; F512-F533 HydrophobicContact CD2-CB 3.71Å; F512-F533 AromaticContact CD2-CD2 3.83Å; F512-F533 HydrophobicContact CD2-CD2 3.83Å; F512-F533 AromaticContact CD2-CG 3.92Å; F512-F533 HydrophobicContact CD2-CG 3.92Å; F512-F533 HydrophobicContact CE2-CB 3.82Å; F512-F533 HydrophobicContact CE2-CD2 4.25Å; F512-F533 HydrophobicContact CE2-CG 4.39Å; F512-F533 HydrophobicContact CG-CB 4.1Å; F512-F533 HydrophobicContact CG-CG 4.4Å; F512-F533 HydrophobicContact CZ-CB 4.25Å; F512-F948 AromaticContact CE2-CE1 3.74Å; F512-F948 HydrophobicContact CE2-CE1 3.74Å; F512-F948 HydrophobicContact CE2-CE2 4.01Å; F512-F948 AromaticContact CE2-CZ 3.41Å; F512-F948 HydrophobicContact CE2-CZ 3.41Å; F512-F948 VanDerWaalsContact CE2-CZ 3.41Å; F512-F948 AromaticContact CZ-CE1 3.55Å; F512-F948 HydrophobicContact CZ-CE1 3.55Å; F512-F948 AromaticContact CZ-CZ 3.57Å; F512-F948 HydrophobicContact CZ-CZ 3.57Å
513	L	79.3	Confident	81.9	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-47.9	174.2	-77.9	170.7	0	0	0	111.8	L509 E510 H511 T515 I516 H553 R576 V577 L580	L509-L513 HydrophobicContact CD1-CD1 3.94Å; L509-L513 HydrophobicContact CD1-CG 4.09Å; L509-L513 HydrophobicContact CG-CD1 4.02Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 2.69Å; E510-L513 PolarHBondContact O-N 3.09Å; H511-L513 VanDerWaalsContact C-N 3.35Å; L513-T515 VanDerWaalsContact C-N 3.3Å; L513-T515 PolarHBondContact O-N 3.18Å; L513-I516 HydrophobicContact CD2-CD1 4.26Å; L513-I516 WeakPolarHBondContact O-CB 3.44Å; L513-I516 PolarHBondContact O-N 3.45Å; L513-H553 HydrophobicContact CD1-CB 3.97Å; L513-R576 VanDerWaalsContact O-CD 3.29Å; L513-R576 WeakPolarHBondContact O-CD 3.46Å; L513-V577 HydrophobicContact CD1-CG2 4.31Å; L513-V577 HydrophobicContact CD2-CB 4.43Å; L513-V577 HydrophobicContact CD2-CG2 3.88Å; L513-L580 HydrophobicContact CD2-CB 4Å; L513-L580 HydrophobicContact CD2-CD2 3.54Å; L513-L580 HydrophobicContact CD2-CG 4.39Å; L513-L580 HydrophobicContact CG-CD2 3.97Å
514	E	79.3	Confident	81.4	Confident	97 Å²	97	57.6 Å²	57.6	45%	0.453	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-32.6	-177.4	-71.4	-176.8	158.3	0	0	113.2	E510 H511 I516	E510-E514 WeakPolarHBondContact O-CG 3.24Å; E510-E514 PolarHBondContact O-N 2.98Å; H511-E514 PolarHBondContact O-N 3.49Å; E514-I516 VanDerWaalsContact C-N 3.33Å
515	T	79.8	Confident	80.6	Confident	59 Å²	59	58.5 Å²	58.5	36%	0.362	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.6	-178.7	55.4	0	0	0	0	114.1	H511 F512 L513 R517	H511-T515 WeakPolarHBondContact O-CB 3.32Å; H511-T515 VanDerWaalsContact O-CG2 3.27Å; H511-T515 WeakPolarHBondContact O-CG2 3.44Å; H511-T515 PolarHBondContact O-N 3.24Å; H511-T515 VanDerWaalsContact O-N 3.09Å; H511-T515 PolarHBondContact O-OG1 3.23Å; F512-T515 PolarHBondContact O-OG1 3.42Å; L513-T515 VanDerWaalsContact C-N 3.3Å; L513-T515 PolarHBondContact O-N 3.18Å; T515-R517 PolarHBondContact O-N 3.36Å
516	I	77.3	Confident	79.8	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.026	31%	0.306	C	S	.	.			trans	-62	124.2	173.8	-74.1	166.3	0	0	0	110.3	F512 L513 E514 L518 T526 L530 R576 R579 L580	F512-I516 WeakPolarHBondContact O-CG1 3.28Å; F512-I516 PolarHBondContact O-N 3.06Å; L513-I516 HydrophobicContact CD2-CD1 4.26Å; L513-I516 WeakPolarHBondContact O-CB 3.44Å; L513-I516 PolarHBondContact O-N 3.45Å; E514-I516 VanDerWaalsContact C-N 3.33Å; I516-L518 HydrophobicContact CG2-CD2 3.92Å; I516-T526 HydrophobicContact CB-CG2 4.37Å; I516-T526 HydrophobicContact CG1-CG2 4.22Å; I516-T526 HydrophobicContact CG2-CG2 4.01Å; I516-L530 HydrophobicContact CD1-CD1 3.9Å; I516-L530 HydrophobicContact CD1-CD2 4.01Å; I516-L530 HydrophobicContact CG1-CD1 3.93Å; I516-L530 HydrophobicContact CG1-CD2 3.79Å; I516-L530 HydrophobicContact CG1-CG 4.24Å; I516-R576 HydrophobicContact CB-CB 4.25Å; I516-R576 HydrophobicContact CB-CG 3.9Å; I516-R576 HydrophobicContact CD1-CB 4.21Å; I516-R576 WeakPolarHBondContact CD1-O 3.48Å; I516-R576 HydrophobicContact CG2-CB 4.24Å; I516-R576 HydrophobicContact CG2-CG 3.85Å; I516-R579 HydrophobicContact CG2-CB 4.39Å; I516-R579 HydrophobicContact CG2-CG 4.24Å; I516-L580 HydrophobicContact CD1-CB 4.12Å
517	R	77.8	Confident	79.4	Confident	108 Å²	108	55 Å²	55	41%	0.408	29%	0.294	S	S	.	.			trans	-96.6	124.6	171.3	-56.6	-173.6	-176.1	-158.4	-1	109.4	T515 E519 L522 T526	T515-R517 PolarHBondContact O-N 3.36Å; R517-E519 VanDerWaalsContact C-N 3.34Å; R517-L522 HydrophobicContact CB-CB 4.37Å; R517-L522 HydrophobicContact CB-CD1 4.22Å; R517-L522 HydrophobicContact CG-CD1 4.44Å; R517-T526 PolarHBondContact O-OG1 2.86Å; R517-T526 VanDerWaalsContact O-OG1 3.13Å
518	L	76.1	Confident	79.1	Confident	45 Å²	45	56.8 Å²	56.8	24%	0.236	31%	0.311	C	S	.	.			trans	-90.2	1.3	-177.2	-60.6	173.3	0	0	0	113	I516 N572 R575 R576	I516-L518 HydrophobicContact CG2-CD2 3.92Å; L518-N572 HydrophobicContact CD1-CB 4.46Å; L518-R575 HydrophobicContact CD1-CB 3.72Å; L518-R575 HydrophobicContact CD2-CB 3.99Å; L518-R576 HydrophobicContact CD1-CG 4.25Å; L518-R576 HydrophobicContact CD2-CG 4.11Å; L518-R576 HydrophobicContact CG-CG 4.25Å
519	E	77.6	Confident	78.7	Confident	117 Å²	117	58.5 Å²	58.5	55%	0.547	32%	0.321	S	S	.	.			trans	-72.1	125.1	178.3	-67.6	161.4	-158.8	0	0	110.1	R517 T521 L522	R517-E519 VanDerWaalsContact C-N 3.34Å; E519-T521 PolarHBondContact O-N 3.47Å; E519-T521 VanDerWaalsContact O-N 3.11Å; E519-L522 HydrophobicContact CB-CB 4.48Å; E519-L522 HydrophobicContact CB-CD1 4.4Å; E519-L522 HydrophobicContact CB-CG 4.4Å; E519-L522 PolarHBondContact O-N 2.76Å; E519-L522 WeakPolarHBondContact OE2-CD1 3.45Å
520	A	74	Confident	78.6	Confident	79 Å²	79	58.6 Å²	58.6	65%	0.653	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-58.3	-29.5	-176.5	0	0	0	0	0	113.6	L522 N523	A520-L522 PolarHBondContact O-N 2.7Å; A520-N523 PolarHBondContact O-ND2 3.03Å
521	T	73.9	Confident	79.1	Confident	127 Å²	127	56.5 Å²	56.5	78%	0.779	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67	-18.5	175.3	49.1	0	0	0	0	113.5	E519	E519-T521 PolarHBondContact O-N 3.47Å; E519-T521 VanDerWaalsContact O-N 3.11Å
522	L	74.2	Confident	79.5	Confident	43 Å²	43	55.6 Å²	55.6	23%	0.225	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-111.8	10.4	-176.2	-61.4	-178.6	0	0	0	113.4	R517 E519 A520 E524 A525 T526	R517-L522 HydrophobicContact CB-CB 4.37Å; R517-L522 HydrophobicContact CB-CD1 4.22Å; R517-L522 HydrophobicContact CG-CD1 4.44Å; E519-L522 HydrophobicContact CB-CB 4.48Å; E519-L522 HydrophobicContact CB-CD1 4.4Å; E519-L522 HydrophobicContact CB-CG 4.4Å; E519-L522 PolarHBondContact O-N 2.76Å; E519-L522 WeakPolarHBondContact OE2-CD1 3.45Å; A520-L522 PolarHBondContact O-N 2.7Å; L522-E524 PolarHBondContact O-N 2.68Å; L522-A525 PolarHBondContact O-N 2.71Å; L522-A525 VanDerWaalsContact O-N 3.15Å; L522-T526 PolarHBondContact O-N 3.29Å; L522-T526 PolarHBondContact O-OG1 2.92Å
523	N	76.6	Confident	80	Confident	59 Å²	59	55.3 Å²	55.3	32%	0.316	31%	0.307	S	S	.	.	H	α-helix	trans	-54	-49.8	-177.2	-80.8	-14.5	0	0	0	113.2	A520 A525 T526 D527	A520-N523 PolarHBondContact O-ND2 3.03Å; N523-A525 VanDerWaalsContact C-N 3.33Å; N523-A525 PolarHBondContact O-N 3.03Å; N523-T526 PolarHBondContact O-N 3.27Å; N523-D527 PolarHBondContact O-N 2.85Å
524	E	76.7	Confident	80.8	Confident	175 Å²	175	55.3 Å²	55.3	82%	0.818	31%	0.307	S	S	*	.	H	α-helix	trans	-64.8	-36.9	179.6	-64	-175.5	174	0	0	112.6	L522 D527 S528	L522-E524 PolarHBondContact O-N 2.68Å; E524-D527 PolarHBondContact O-N 2.82Å; E524-S528 WeakPolarHBondContact O-CB 3.41Å; E524-S528 PolarHBondContact O-N 2.89Å
525	A	75.6	Confident	81.7	Confident	56 Å²	56	50.7 Å²	50.7	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-68.8	-39.3	178.5	0	0	0	0	0	111.6	L522 N523 V529	L522-A525 PolarHBondContact O-N 2.71Å; L522-A525 VanDerWaalsContact O-N 3.15Å; N523-A525 VanDerWaalsContact C-N 3.33Å; N523-A525 PolarHBondContact O-N 3.03Å; A525-V529 WeakPolarHBondContact O-CG2 3.38Å; A525-V529 PolarHBondContact O-N 2.69Å
526	T	76.9	Confident	82.6	Confident	9 Å²	9	47.9 Å²	47.9	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-47.2	173.3	-64.2	0	0	0	0	110.8	I516 R517 L522 N523 S528 V529 L530	I516-T526 HydrophobicContact CB-CG2 4.37Å; I516-T526 HydrophobicContact CG1-CG2 4.22Å; I516-T526 HydrophobicContact CG2-CG2 4.01Å; R517-T526 PolarHBondContact O-OG1 2.86Å; R517-T526 VanDerWaalsContact O-OG1 3.13Å; L522-T526 PolarHBondContact O-N 3.29Å; L522-T526 PolarHBondContact O-OG1 2.92Å; N523-T526 PolarHBondContact O-N 3.27Å; T526-S528 VanDerWaalsContact C-N 3.29Å; T526-S528 PolarHBondContact O-N 2.79Å; T526-V529 PolarHBondContact O-N 2.74Å; T526-V529 VanDerWaalsContact O-N 3.08Å; T526-L530 HydrophobicContact CG2-CD1 4.14Å; T526-L530 HydrophobicContact CG2-CG 4.42Å; T526-L530 WeakPolarHBondContact O-CG 3.43Å; T526-L530 PolarHBondContact O-N 2.99Å
527	D	78.7	Confident	83.5	Confident	41 Å²	41	47.7 Å²	47.7	22%	0.219	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-37.7	-178.5	-67.2	-7.5	0	0	0	111.8	N523 E524 V529 L530 N531 R579 Q583	N523-D527 PolarHBondContact O-N 2.85Å; E524-D527 PolarHBondContact O-N 2.82Å; D527-V529 VanDerWaalsContact C-N 3.33Å; D527-V529 PolarHBondContact O-N 3.42Å; D527-L530 PolarHBondContact O-N 3.39Å; D527-N531 WeakPolarHBondContact O-CB 3.38Å; D527-N531 PolarHBondContact O-N 3.23Å; D527-R579 IonicContact OD1-CZ 3.85Å; D527-R579 VanDerWaalsContact OD1-CZ 3.27Å; D527-R579 IonicContact OD1-NE 2.68Å; D527-R579 PolarHBondContact OD1-NE 2.96Å; D527-R579 VanDerWaalsContact OD1-NE 3.17Å; D527-R579 IonicContact OD1-NH2 2.83Å; D527-R579 PolarHBondContact OD1-NH2 3.35Å; D527-R579 IonicContact OD2-CZ 3.42Å; D527-R579 IonicContact OD2-NH2 3.57Å; D527-R579 PolarHBondContact OD2-NH2 3.24Å; D527-Q583 VanDerWaalsContact CG-CD 3.45Å; D527-Q583 VanDerWaalsContact CG-NE2 3.31Å; D527-Q583 VanDerWaalsContact OD1-CD 3.28Å; D527-Q583 PolarHBondContact OD1-NE2 3.5Å; D527-Q583 PolarHBondContact OD2-NE2 2.85Å; D527-Q583 VanDerWaalsContact OD2-NE2 3.15Å
528	S	79.4	Confident	84.5	Confident	70 Å²	70	43.3 Å²	43.3	49%	0.49	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-38.3	174.1	-174.8	0	0	0	0	112.8	E524 T526	E524-S528 WeakPolarHBondContact O-CB 3.41Å; E524-S528 PolarHBondContact O-N 2.89Å; T526-S528 VanDerWaalsContact C-N 3.29Å; T526-S528 PolarHBondContact O-N 2.79Å
529	V	79.8	Confident	85.5	Confident	37 Å²	37	42.4 Å²	42.4	22%	0.224	25%	0.25	C	C	.	.	H	α-helix	trans	-70.5	-43.6	177.8	171.9	0	0	0	0	111.6	F512 A525 T526 D527 N531	F512-V529 HydrophobicContact CD1-CG1 3.99Å; F512-V529 HydrophobicContact CE1-CG1 3.77Å; F512-V529 VanDerWaalsContact CE1-O 3.28Å; F512-V529 WeakPolarHBondContact CE1-O 3.45Å; A525-V529 WeakPolarHBondContact O-CG2 3.38Å; A525-V529 PolarHBondContact O-N 2.69Å; T526-V529 PolarHBondContact O-N 2.74Å; T526-V529 VanDerWaalsContact O-N 3.08Å; D527-V529 VanDerWaalsContact C-N 3.33Å; D527-V529 PolarHBondContact O-N 3.42Å; V529-N531 VanDerWaalsContact C-N 3.25Å; V529-N531 PolarHBondContact O-N 3.27Å
530	L	87	Confident	86.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-70.2	-24.2	-179.1	-65.3	-178.5	0	0	0	112.9	F512 I516 T526 D527 D532 F533 I534 L580 Q583	F512-L530 HydrophobicContact CB-CD2 4.09Å; F512-L530 HydrophobicContact CD1-CD2 4.08Å; F512-L530 HydrophobicContact CG-CD2 4.49Å; I516-L530 HydrophobicContact CD1-CD1 3.9Å; I516-L530 HydrophobicContact CD1-CD2 4.01Å; I516-L530 HydrophobicContact CG1-CD1 3.93Å; I516-L530 HydrophobicContact CG1-CD2 3.79Å; I516-L530 HydrophobicContact CG1-CG 4.24Å; T526-L530 HydrophobicContact CG2-CD1 4.14Å; T526-L530 HydrophobicContact CG2-CG 4.42Å; T526-L530 WeakPolarHBondContact O-CG 3.43Å; T526-L530 PolarHBondContact O-N 2.99Å; D527-L530 PolarHBondContact O-N 3.39Å; L530-D532 VanDerWaalsContact C-N 3.3Å; L530-D532 PolarHBondContact O-N 3.5Å; L530-F533 PolarHBondContact O-N 3.49Å; L530-F533 VanDerWaalsContact O-N 3.13Å; L530-I534 HydrophobicContact CB-CD1 3.75Å; L530-I534 HydrophobicContact CB-CG1 4.43Å; L530-I534 WeakPolarHBondContact O-CG1 3.48Å; L530-I534 PolarHBondContact O-N 3.45Å; L530-L580 HydrophobicContact CD1-CD1 4.06Å; L530-L580 HydrophobicContact CD2-CD1 3.9Å; L530-L580 HydrophobicContact CG-CD1 4.41Å; L530-Q583 HydrophobicContact CD1-CG 4.39Å
531	N	91.6	Very high	87.6	Confident	14 Å²	14	33.8 Å²	33.8	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-39.4	-170.9	-167.4	-105.7	0	0	0	113.5	D527 V529 I534 M535 M587 R959 R962	D527-N531 WeakPolarHBondContact O-CB 3.38Å; D527-N531 PolarHBondContact O-N 3.23Å; V529-N531 VanDerWaalsContact C-N 3.25Å; V529-N531 PolarHBondContact O-N 3.27Å; N531-I534 PolarHBondContact O-N 3.42Å; N531-M535 VanDerWaalsContact O-CB 3.25Å; N531-M535 WeakPolarHBondContact O-CB 3.46Å; N531-M535 PolarHBondContact O-N 2.94Å; N531-M587 WeakPolarHBondContact ND2-CE 3.4Å; N531-R959 VanDerWaalsContact OD1-CD 3.28Å; N531-R959 WeakPolarHBondContact OD1-CD 3.47Å; N531-R959 WeakPolarHBondContact OD1-CG 3.46Å; N531-R962 PolarHBondContact ND2-NH1 2.93Å; N531-R962 PolarHBondContact ND2-NH2 2.99Å
532	D	92.8	Very high	88.7	Confident	13 Å²	13	30.1 Å²	30.1	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-45.7	178.4	-68.4	-21.7	0	0	0	111	L530 M536 F948 R952 R959	L530-D532 VanDerWaalsContact C-N 3.3Å; L530-D532 PolarHBondContact O-N 3.5Å; D532-M536 VanDerWaalsContact O-CB 3.25Å; D532-M536 WeakPolarHBondContact O-CB 3.42Å; D532-M536 VanDerWaalsContact O-CG 3.24Å; D532-M536 WeakPolarHBondContact O-CG 3.25Å; D532-M536 PolarHBondContact O-N 3.46Å; D532-M536 VanDerWaalsContact O-N 3.15Å; D532-F948 HydrophobicContact CB-CE1 4.06Å; D532-F948 HydrophobicContact CB-CZ 3.99Å; D532-R952 WeakPolarHBondContact OD2-CG 3.33Å; D532-R952 IonicContact OD2-NE 3.09Å; D532-R952 PolarHBondContact OD2-NE 3.42Å; D532-R959 IonicContact OD1-CZ 2.7Å; D532-R959 IonicContact OD1-NE 3.17Å; D532-R959 IonicContact OD1-NH2 3.03Å; D532-R959 PolarHBondContact OD1-NH2 3.37Å; D532-R959 IonicContact OD2-NH2 2.68Å
533	F	95.4	Very high	89.8	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-64.8	-50.8	177.7	176.5	-96.2	0	0	0	111.1	I508 L509 F512 L530 M535 M536 H537 F540 L546 L580 F948	I508-F533 HydrophobicContact CG2-CD2 3.72Å; I508-F533 HydrophobicContact CG2-CE2 4Å; L509-F533 HydrophobicContact CB-CE2 4.18Å; L509-F533 HydrophobicContact CB-CZ 3.95Å; L509-F533 HydrophobicContact CD1-CE1 3.88Å; L509-F533 HydrophobicContact CD1-CZ 3.68Å; L509-F533 HydrophobicContact CG-CZ 4.37Å; F512-F533 HydrophobicContact CD2-CB 3.71Å; F512-F533 AromaticContact CD2-CD2 3.83Å; F512-F533 HydrophobicContact CD2-CD2 3.83Å; F512-F533 AromaticContact CD2-CG 3.92Å; F512-F533 HydrophobicContact CD2-CG 3.92Å; F512-F533 HydrophobicContact CE2-CB 3.82Å; F512-F533 HydrophobicContact CE2-CD2 4.25Å; F512-F533 HydrophobicContact CE2-CG 4.39Å; F512-F533 HydrophobicContact CG-CB 4.1Å; F512-F533 HydrophobicContact CG-CG 4.4Å; F512-F533 HydrophobicContact CZ-CB 4.25Å; L530-F533 PolarHBondContact O-N 3.49Å; L530-F533 VanDerWaalsContact O-N 3.13Å; F533-M535 VanDerWaalsContact C-N 3.27Å; F533-M535 PolarHBondContact O-N 3.41Å; F533-M536 PolarHBondContact O-N 3.45Å; F533-M536 VanDerWaalsContact O-N 3.16Å; F533-H537 HydrophobicContact CE1-CB 4.37Å; F533-H537 HydrophobicContact CE2-CB 4.44Å; F533-H537 HydrophobicContact CZ-CB 4.23Å; F533-H537 WeakPolarHBondContact O-CB 3.43Å; F533-H537 PolarHBondContact O-N 3.25Å; F533-F540 HydrophobicContact CD2-CE2 4.37Å; F533-F540 AromaticContact CD2-CZ 3.84Å; F533-F540 HydrophobicContact CD2-CZ 3.84Å; F533-F540 AromaticContact CE2-CE2 3.95Å; F533-F540 HydrophobicContact CE2-CE2 3.95Å; F533-F540 AromaticContact CE2-CZ 3.85Å; F533-F540 HydrophobicContact CE2-CZ 3.85Å; F533-L546 HydrophobicContact CE1-CD1 4.23Å; F533-L546 HydrophobicContact CZ-CD1 4.07Å; F533-L580 HydrophobicContact CD1-CD1 4.35Å; F533-L580 HydrophobicContact CE1-CD2 4.46Å; F533-F948 HydrophobicContact CB-CZ 4.24Å; F533-F948 HydrophobicContact CD2-CE2 4.5Å
534	I	96.6	Very high	90.8	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-32.6	-176	-67.8	170.8	0	0	0	112.2	L530 N531 H537 L580 Q583 W584 M587	L530-I534 HydrophobicContact CB-CD1 3.75Å; L530-I534 HydrophobicContact CB-CG1 4.43Å; L530-I534 WeakPolarHBondContact O-CG1 3.48Å; L530-I534 PolarHBondContact O-N 3.45Å; N531-I534 PolarHBondContact O-N 3.42Å; I534-H537 PolarHBondContact O-CD2 3.28Å; I534-L580 HydrophobicContact CD1-CD1 4.07Å; I534-L580 HydrophobicContact CG1-CD1 4.06Å; I534-Q583 HydrophobicContact CD1-CB 3.29Å; I534-Q583 HydrophobicContact CD1-CG 4.46Å; I534-W584 HydrophobicContact CG2-CB 4.36Å; I534-M587 HydrophobicContact CG2-CB 3.42Å; I534-M587 VanDerWaalsContact CG2-CB 3.42Å; I534-M587 HydrophobicContact CG2-CE 4.16Å; I534-M587 HydrophobicContact CG2-CG 3.82Å
535	M	97.5	Very high	91.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-77	-35.7	177	-167.8	178	-68	0	0	112	N531 F533 M587 E793 L794 I797 A955 A958 R959	N531-M535 VanDerWaalsContact O-CB 3.25Å; N531-M535 WeakPolarHBondContact O-CB 3.46Å; N531-M535 PolarHBondContact O-N 2.94Å; F533-M535 VanDerWaalsContact C-N 3.27Å; F533-M535 PolarHBondContact O-N 3.41Å; M535-M587 HydrophobicContact CB-CE 3.77Å; M535-M587 HydrophobicContact CE-CE 3.71Å; M535-M587 HydrophobicContact CE-SD 4.38Å; M535-M587 HydrophobicContact CG-CE 4.17Å; M535-M587 HydrophobicContact CG-SD 4.48Å; M535-E793 WeakPolarHBondContact CE-OE2 3.36Å; M535-L794 HydrophobicContact CG-CD2 4.34Å; M535-I797 HydrophobicContact CG-CD1 4.44Å; M535-I797 HydrophobicContact CG-CG1 4.34Å; M535-A955 HydrophobicContact SD-CB 4.1Å; M535-A958 HydrophobicContact CE-CB 4.25Å; M535-A958 HydrophobicContact SD-CB 3.45Å; M535-A958 WeakPolarHBondContact SD-CB 3.43Å; M535-R959 HydrophobicContact CE-CG 4.14Å
536	M	98.1	Very high	92.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-104.1	-9.9	-167	-58.7	-54.9	-58.5	0	0	114.6	D532 F533 C538 V539 F540 I797 F801 M951 I954 A955	D532-M536 VanDerWaalsContact O-CB 3.25Å; D532-M536 WeakPolarHBondContact O-CB 3.42Å; D532-M536 VanDerWaalsContact O-CG 3.24Å; D532-M536 WeakPolarHBondContact O-CG 3.25Å; D532-M536 PolarHBondContact O-N 3.46Å; D532-M536 VanDerWaalsContact O-N 3.15Å; F533-M536 PolarHBondContact O-N 3.45Å; F533-M536 VanDerWaalsContact O-N 3.16Å; M536-C538 PolarHBondContact O-N 2.89Å; M536-C538 VanDerWaalsContact O-N 3.09Å; M536-V539 HydrophobicContact CE-CG2 3.95Å; M536-V539 WeakPolarHBondContact O-CB 3.35Å; M536-V539 PolarHBondContact O-N 3.47Å; M536-F540 HydrophobicContact CB-CE1 4.28Å; M536-F540 WeakPolarHBondContact O-CD1 3.34Å; M536-F540 WeakPolarHBondContact O-CE1 3.28Å; M536-I797 HydrophobicContact CE-CD1 4.25Å; M536-I797 HydrophobicContact CE-CG2 4.13Å; M536-I797 HydrophobicContact SD-CD1 3.6Å; M536-I797 HydrophobicContact SD-CG1 4.24Å; M536-I797 HydrophobicContact SD-CG2 4.38Å; M536-F801 HydrophobicContact CE-CE2 3.84Å; M536-F801 HydrophobicContact CE-CZ 4.19Å; M536-M951 HydrophobicContact CB-CB 3.91Å; M536-M951 HydrophobicContact CB-CG 4.25Å; M536-M951 HydrophobicContact CB-SD 4.23Å; M536-M951 HydrophobicContact CE-SD 3.81Å; M536-M951 HydrophobicContact CG-CB 3.99Å; M536-I954 HydrophobicContact CE-CB 3.96Å; M536-I954 HydrophobicContact CE-CG2 3.79Å; M536-I954 HydrophobicContact SD-CB 4.44Å; M536-I954 HydrophobicContact SD-CG2 4.12Å; M536-A955 HydrophobicContact CG-CB 3.96Å; M536-A955 HydrophobicContact SD-CB 4.22Å
537	H	98.1	Very high	93.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-55.5	-33.2	-177.4	80.9	84	0	0	0	111.8	F533 I534 V539 F540 M541 N543 L546 W584 Y588	F533-H537 HydrophobicContact CE1-CB 4.37Å; F533-H537 HydrophobicContact CE2-CB 4.44Å; F533-H537 HydrophobicContact CZ-CB 4.23Å; F533-H537 WeakPolarHBondContact O-CB 3.43Å; F533-H537 PolarHBondContact O-N 3.25Å; I534-H537 PolarHBondContact O-CD2 3.28Å; H537-V539 PolarHBondContact O-N 3.41Å; H537-F540 HydrophobicContact CB-CZ 4.26Å; H537-F540 PolarHBondContact O-N 3.31Å; H537-M541 CarbonylContact C-O 3.58Å; H537-M541 PolarHBondContact ND1-O 3.07Å; H537-M541 CarbonylContact O-C 3.53Å; H537-M541 WeakPolarHBondContact O-CA 3.32Å; H537-M541 PolarHBondContact O-N 2.87Å; H537-N543 PolarHBondContact CE1-OD1 2.83Å; H537-L546 WeakPolarHBondContact ND1-CD2 3.32Å; H537-W584 AromaticContact CE1-NE1 3.91Å; H537-W584 AromaticContact NE2-CD1 3.66Å; H537-W584 AromaticContact NE2-NE1 3.58Å; H537-Y588 PolarHBondContact CE1-OH 2.94Å; H537-Y588 AromaticContact NE2-CE2 3.41Å; H537-Y588 WeakPolarHBondContact NE2-CE2 3.3Å; H537-Y588 AromaticContact NE2-CZ 3.57Å; H537-Y588 PolarHBondContact NE2-OH 2.74Å
538	C	97.8	Very high	94.6	Very high	15 Å²	15	25.2 Å²	25.2	10%	0.101	15%	0.15	C	C	.	.	H	α-helix	trans	-56.6	-23.5	179.3	65.1	0	0	0	0	113.7	M536 F806	M536-C538 PolarHBondContact O-N 2.89Å; M536-C538 VanDerWaalsContact O-N 3.09Å; C538-F806 HydrophobicContact CB-CD1 4.33Å; C538-F806 HydrophobicContact CB-CE1 4.05Å; C538-F806 WeakPolarHBondContact O-CE1 3.36Å
539	V	98	Very high	95.3	Very high	27 Å²	27	23 Å²	23	16%	0.164	14%	0.136	C	C	.	.	H	α-helix	trans	-76.5	-31.7	178.9	178.4	0	0	0	0	112.7	M536 H537 I797 F801 F806 T940 M951	M536-V539 HydrophobicContact CE-CG2 3.95Å; M536-V539 WeakPolarHBondContact O-CB 3.35Å; M536-V539 PolarHBondContact O-N 3.47Å; H537-V539 PolarHBondContact O-N 3.41Å; V539-I797 HydrophobicContact CG2-CG2 3.9Å; V539-F801 HydrophobicContact CB-CE1 4.46Å; V539-F801 HydrophobicContact CG1-CD1 3.65Å; V539-F801 HydrophobicContact CG1-CE1 3.41Å; V539-F801 VanDerWaalsContact CG1-CE1 3.41Å; V539-F801 HydrophobicContact CG1-CG 4.37Å; V539-F801 HydrophobicContact CG1-CZ 3.96Å; V539-F801 HydrophobicContact CG2-CD1 4.15Å; V539-F801 HydrophobicContact CG2-CD2 3.94Å; V539-F801 HydrophobicContact CG2-CE1 4.16Å; V539-F801 HydrophobicContact CG2-CE2 3.95Å; V539-F801 HydrophobicContact CG2-CG 4.04Å; V539-F801 HydrophobicContact CG2-CZ 4.06Å; V539-F806 HydrophobicContact CG2-CZ 4.36Å; V539-T940 HydrophobicContact CG1-CG2 3.92Å; V539-M951 HydrophobicContact CB-SD 4.25Å; V539-M951 HydrophobicContact CG1-CE 4.25Å; V539-M951 HydrophobicContact CG1-SD 4.07Å
540	F	97.8	Very high	96.1	Very high	12 Å²	12	21.2 Å²	21.2	5%	0.053	13%	0.125	C	C	.	.	H	α-helix	trans	-131.8	-16	-169.3	65	-96.6	0	0	0	115.2	P505 I508 F533 M536 H537 V946 F948 M951	P505-F540 HydrophobicContact CB-CD2 4.1Å; P505-F540 HydrophobicContact CG-CD2 4.26Å; P505-F540 WeakPolarHBondContact CG-O 3.29Å; I508-F540 HydrophobicContact CG2-CZ 4.46Å; F533-F540 HydrophobicContact CD2-CE2 4.37Å; F533-F540 AromaticContact CD2-CZ 3.84Å; F533-F540 HydrophobicContact CD2-CZ 3.84Å; F533-F540 AromaticContact CE2-CE2 3.95Å; F533-F540 HydrophobicContact CE2-CE2 3.95Å; F533-F540 AromaticContact CE2-CZ 3.85Å; F533-F540 HydrophobicContact CE2-CZ 3.85Å; M536-F540 HydrophobicContact CB-CE1 4.28Å; M536-F540 WeakPolarHBondContact O-CD1 3.34Å; M536-F540 WeakPolarHBondContact O-CE1 3.28Å; H537-F540 HydrophobicContact CB-CZ 4.26Å; H537-F540 PolarHBondContact O-N 3.31Å; F540-V946 HydrophobicContact CB-CB 4.46Å; F540-V946 HydrophobicContact CB-CG1 3.89Å; F540-V946 HydrophobicContact CB-CG2 3.65Å; F540-V946 HydrophobicContact CD1-CG1 3.83Å; F540-V946 HydrophobicContact CD2-CG1 4.24Å; F540-V946 HydrophobicContact CD2-CG2 3.93Å; F540-V946 HydrophobicContact CE1-CG1 4.42Å; F540-V946 HydrophobicContact CG-CB 4.46Å; F540-V946 HydrophobicContact CG-CG1 3.72Å; F540-V946 HydrophobicContact CG-CG2 3.91Å; F540-F948 HydrophobicContact CE1-CD2 4.45Å; F540-F948 HydrophobicContact CE1-CE2 4.21Å; F540-F948 HydrophobicContact CZ-CD2 4.44Å; F540-F948 HydrophobicContact CZ-CE2 4.09Å; F540-M951 HydrophobicContact CD1-CG 4.27Å; F540-M951 HydrophobicContact CD1-SD 4.32Å; F540-M951 HydrophobicContact CE1-CG 4.24Å
541	M	97.8	Very high	96.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	-146	78.7	178.8	-160.1	-179.6	-164.9	0	0	109.3	P505 L509 H537 Q545 L546 A549	P505-M541 HydrophobicContact CB-CB 4.07Å; P505-M541 HydrophobicContact CB-CG 4.08Å; P505-M541 HydrophobicContact CB-SD 4.15Å; L509-M541 HydrophobicContact CB-SD 4.35Å; L509-M541 HydrophobicContact CD2-CE 3.91Å; L509-M541 HydrophobicContact CD2-SD 4.2Å; H537-M541 CarbonylContact C-O 3.58Å; H537-M541 PolarHBondContact ND1-O 3.07Å; H537-M541 CarbonylContact O-C 3.53Å; H537-M541 WeakPolarHBondContact O-CA 3.32Å; H537-M541 PolarHBondContact O-N 2.87Å; M541-Q545 HydrophobicContact CG-CB 4.11Å; M541-L546 HydrophobicContact CG-CB 4.23Å; M541-L546 HydrophobicContact SD-CB 4.39Å; M541-L546 HydrophobicContact SD-CD1 4Å; M541-A549 HydrophobicContact CE-CB 3.59Å
542	P	97.2	Very high	96.6	Very high	51 Å²	51	25.6 Å²	25.6	33%	0.331	16%	0.159	S	C	.	.			trans	-60.7	162.6	-180	27.1	-35.4	0	0	0	111.6	T544 Q545 L546	P542-T544 PolarHBondContact O-N 3.19Å; P542-Q545 HydrophobicContact CG-CG 4.34Å; P542-Q545 WeakPolarHBondContact O-CA 3.43Å; P542-Q545 PolarHBondContact O-N 2.77Å; P542-L546 PolarHBondContact O-N 3.23Å
543	N	96.9	Very high	96.4	Very high	13 Å²	13	27 Å²	27	7%	0.07	17%	0.165	C	C	.	.	H	α-helix	trans	-56.8	-28.4	-177.7	-68.9	-31.7	0	0	0	113.4	H537 Q545 L546 C547 W584 D595 S598	H537-N543 PolarHBondContact CE1-OD1 2.83Å; N543-Q545 PolarHBondContact O-N 3.14Å; N543-L546 PolarHBondContact O-N 3.01Å; N543-C547 VanDerWaalsContact O-CB 3.28Å; N543-C547 WeakPolarHBondContact O-CB 3.13Å; N543-C547 PolarHBondContact O-N 3.2Å; N543-C547 PolarHBondContact O-SG 3.29Å; N543-C547 VanDerWaalsContact O-SG 3.4Å; N543-W584 PolarHBondContact OD1-NE1 3.44Å; N543-D595 PolarHBondContact ND2-OD2 3.2Å; N543-S598 PolarHBondContact ND2-OG 3.1Å
544	T	96.6	Very high	96.3	Very high	91 Å²	91	27 Å²	27	56%	0.558	17%	0.165	S	C	*	.	H	α-helix	trans	-61.3	-21.3	172.8	52.2	0	0	0	0	114.2	P542 P548 V597	P542-T544 PolarHBondContact O-N 3.19Å; T544-P548 WeakPolarHBondContact O-CG 3.33Å; T544-V597 HydrophobicContact CG2-CG2 4.31Å
545	Q	96.9	Very high	96.1	Very high	96 Å²	96	31.1 Å²	31.1	45%	0.449	18%	0.184	S	C	.	.	H	α-helix	trans	-106.8	-42	174	-65.2	177.1	5.9	0	0	111.7	M541 P542 N543 P548 A549	M541-Q545 HydrophobicContact CG-CB 4.11Å; P542-Q545 HydrophobicContact CG-CG 4.34Å; P542-Q545 WeakPolarHBondContact O-CA 3.43Å; P542-Q545 PolarHBondContact O-N 2.77Å; N543-Q545 PolarHBondContact O-N 3.14Å; Q545-P548 WeakPolarHBondContact O-CD 3.25Å; Q545-A549 WeakPolarHBondContact O-CB 3.4Å; Q545-A549 PolarHBondContact O-N 3.09Å; Q545-A549 VanDerWaalsContact O-N 3.16Å
546	L	97.5	Very high	95.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-62.9	-48.4	-178.3	176.8	63.1	0	0	0	112.1	L509 F533 H537 M541 P542 N543 A549 L550	L509-L546 HydrophobicContact CD1-CD1 4.08Å; L509-L546 HydrophobicContact CD2-CD1 4.01Å; F533-L546 HydrophobicContact CE1-CD1 4.23Å; F533-L546 HydrophobicContact CZ-CD1 4.07Å; H537-L546 WeakPolarHBondContact ND1-CD2 3.32Å; M541-L546 HydrophobicContact CG-CB 4.23Å; M541-L546 HydrophobicContact SD-CB 4.39Å; M541-L546 HydrophobicContact SD-CD1 4Å; P542-L546 PolarHBondContact O-N 3.23Å; N543-L546 PolarHBondContact O-N 3.01Å; L546-A549 WeakPolarHBondContact O-CB 3.42Å; L546-A549 PolarHBondContact O-N 2.93Å; L546-A549 VanDerWaalsContact O-N 3.17Å; L546-L550 HydrophobicContact CD1-CD1 3.96Å; L546-L550 HydrophobicContact CD1-CD2 4.28Å; L546-L550 HydrophobicContact CD1-CG 3.91Å; L546-L550 HydrophobicContact CD2-CD1 4.44Å; L546-L550 HydrophobicContact CG-CD1 3.83Å; L546-L550 HydrophobicContact CG-CG 4.22Å; L546-L550 VanDerWaalsContact O-CG 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.48Å; L546-L550 PolarHBondContact O-N 3.19Å
547	C	97.4	Very high	94.6	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-49.7	-176.5	-65.6	0	0	0	0	112	N543 A549 L550 V551 F601	N543-C547 VanDerWaalsContact O-CB 3.28Å; N543-C547 WeakPolarHBondContact O-CB 3.13Å; N543-C547 PolarHBondContact O-N 3.2Å; N543-C547 PolarHBondContact O-SG 3.29Å; N543-C547 VanDerWaalsContact O-SG 3.4Å; C547-A549 VanDerWaalsContact C-N 3.33Å; C547-A549 PolarHBondContact O-N 3.33Å; C547-L550 PolarHBondContact O-N 3.11Å; C547-V551 WeakPolarHBondContact O-CG2 3.39Å; C547-V551 PolarHBondContact O-N 3.41Å; C547-F601 HydrophobicContact CB-CB 3.81Å; C547-F601 HydrophobicContact CB-CD1 4.13Å; C547-F601 HydrophobicContact CB-CD2 3.72Å; C547-F601 HydrophobicContact CB-CE2 4.34Å; C547-F601 HydrophobicContact CB-CG 3.59Å
548	P	96.4	Very high	93.5	Very high	75 Å²	75	40.7 Å²	40.7	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-40	172.4	-26.2	35.1	0	0	0	114	T544 Q545 L550 V551 A552	T544-P548 WeakPolarHBondContact O-CG 3.33Å; Q545-P548 WeakPolarHBondContact O-CD 3.25Å; P548-L550 VanDerWaalsContact C-N 3.34Å; P548-L550 PolarHBondContact O-N 3.19Å; P548-V551 PolarHBondContact O-N 3.18Å; P548-A552 PolarHBondContact O-N 2.78Å
549	A	94.4	Very high	91.8	Very high	22 Å²	22	45 Å²	45	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-40.2	177.5	0	0	0	0	0	111.8	L509 M541 Q545 L546 C547 A552 H553	L509-A549 HydrophobicContact CD2-CB 3.76Å; M541-A549 HydrophobicContact CE-CB 3.59Å; Q545-A549 WeakPolarHBondContact O-CB 3.4Å; Q545-A549 PolarHBondContact O-N 3.09Å; Q545-A549 VanDerWaalsContact O-N 3.16Å; L546-A549 WeakPolarHBondContact O-CB 3.42Å; L546-A549 PolarHBondContact O-N 2.93Å; L546-A549 VanDerWaalsContact O-N 3.17Å; C547-A549 VanDerWaalsContact C-N 3.33Å; C547-A549 PolarHBondContact O-N 3.33Å; A549-A552 PolarHBondContact O-N 3.22Å; A549-H553 PolarHBondContact O-CD2 3.46Å; A549-H553 PolarHBondContact O-N 3.08Å
550	L	96.4	Very high	90.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-40.3	175.2	-67.9	172	0	0	0	112.1	L509 L546 C547 P548 A552 H553 Y554 V577 L580 V581 F601	L509-L550 HydrophobicContact CD1-CD2 4.02Å; L546-L550 HydrophobicContact CD1-CD1 3.96Å; L546-L550 HydrophobicContact CD1-CD2 4.28Å; L546-L550 HydrophobicContact CD1-CG 3.91Å; L546-L550 HydrophobicContact CD2-CD1 4.44Å; L546-L550 HydrophobicContact CG-CD1 3.83Å; L546-L550 HydrophobicContact CG-CG 4.22Å; L546-L550 VanDerWaalsContact O-CG 3.31Å; L546-L550 WeakPolarHBondContact O-CG 3.48Å; L546-L550 PolarHBondContact O-N 3.19Å; C547-L550 PolarHBondContact O-N 3.11Å; P548-L550 VanDerWaalsContact C-N 3.34Å; P548-L550 PolarHBondContact O-N 3.19Å; L550-A552 VanDerWaalsContact C-N 3.34Å; L550-H553 PolarHBondContact O-N 3.26Å; L550-Y554 WeakPolarHBondContact O-CB 3.18Å; L550-Y554 PolarHBondContact O-N 2.99Å; L550-V577 HydrophobicContact CD2-CG1 4.41Å; L550-L580 HydrophobicContact CD2-CD2 3.64Å; L550-V581 HydrophobicContact CD1-CG2 4.06Å; L550-F601 HydrophobicContact CB-CE2 4.14Å; L550-F601 HydrophobicContact CB-CZ 3.93Å; L550-F601 HydrophobicContact CD1-CE1 4.27Å; L550-F601 HydrophobicContact CD1-CZ 3.93Å
551	V	95.5	Very high	89.4	Confident	43 Å²	43	52.8 Å²	52.8	26%	0.261	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-44	173.1	176.6	0	0	0	0	110.7	C547 P548 Y554 H555 F601	C547-V551 WeakPolarHBondContact O-CG2 3.39Å; C547-V551 PolarHBondContact O-N 3.41Å; P548-V551 PolarHBondContact O-N 3.18Å; V551-Y554 PolarHBondContact O-N 2.77Å; V551-H555 PolarHBondContact O-N 2.87Å; V551-H555 PolarHBondContact O-ND1 2.92Å; V551-F601 HydrophobicContact CG2-CD2 3.82Å; V551-F601 HydrophobicContact CG2-CE2 3.65Å
552	A	92.6	Very high	88.8	Confident	63 Å²	63	56.6 Å²	56.6	52%	0.521	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-46.3	177.7	0	0	0	0	0	111.6	P548 A549 L550 Y554 H555 A556	P548-A552 PolarHBondContact O-N 2.78Å; A549-A552 PolarHBondContact O-N 3.22Å; L550-A552 VanDerWaalsContact C-N 3.34Å; A552-Y554 VanDerWaalsContact C-N 3.34Å; A552-Y554 PolarHBondContact O-N 3.01Å; A552-H555 PolarHBondContact O-N 3.25Å; A552-A556 WeakPolarHBondContact O-CB 3.4Å; A552-A556 PolarHBondContact O-N 3.41Å
553	H	89.7	Confident	88.2	Confident	44 Å²	44	60.4 Å²	60.4	20%	0.204	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-38.5	175.5	-82.3	-72.6	0	0	0	112.2	L513 A549 L550 H555 A556 N573 V577	L513-H553 HydrophobicContact CD1-CB 3.97Å; A549-H553 PolarHBondContact O-CD2 3.46Å; A549-H553 PolarHBondContact O-N 3.08Å; L550-H553 PolarHBondContact O-N 3.26Å; H553-H555 VanDerWaalsContact C-N 3.31Å; H553-H555 PolarHBondContact O-N 2.89Å; H553-A556 WeakPolarHBondContact O-CB 3.49Å; H553-A556 PolarHBondContact O-N 3.05Å; H553-N573 PolarHBondContact O-ND2 3.42Å; H553-V577 HydrophobicContact CB-CG2 3.98Å
554	Y	93.3	Very high	87.5	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-38.7	178.6	-171.6	-101.9	0	0	0	113	L550 V551 A552 K574 V577 I578 F605 V609 D612	L550-Y554 WeakPolarHBondContact O-CB 3.18Å; L550-Y554 PolarHBondContact O-N 2.99Å; V551-Y554 PolarHBondContact O-N 2.77Å; A552-Y554 VanDerWaalsContact C-N 3.34Å; A552-Y554 PolarHBondContact O-N 3.01Å; Y554-K574 HydrophobicContact CD2-CB 4.11Å; Y554-K574 HydrophobicContact CD2-CG 3.9Å; Y554-K574 HydrophobicContact CE1-CD 4.15Å; Y554-K574 HydrophobicContact CE1-CG 4.41Å; Y554-K574 HydrophobicContact CE2-CB 3.67Å; Y554-K574 HydrophobicContact CE2-CD 4.05Å; Y554-K574 HydrophobicContact CE2-CG 3.66Å; Y554-K574 HydrophobicContact CG-CG 4.37Å; Y554-K574 WeakPolarHBondContact O-CE 3.48Å; Y554-K574 WeakPolarHBondContact O-CG 3.44Å; Y554-V577 HydrophobicContact CD2-CB 4.19Å; Y554-V577 HydrophobicContact CD2-CG1 4.13Å; Y554-I578 HydrophobicContact CE2-CD1 4.06Å; Y554-I578 HydrophobicContact CE2-CG1 3.99Å; Y554-F605 HydrophobicContact CD1-CE2 4.43Å; Y554-F605 AromaticContact CD2-CE2 3.62Å; Y554-F605 HydrophobicContact CD2-CE2 3.62Å; Y554-F605 AromaticContact CD2-CZ 3.9Å; Y554-F605 HydrophobicContact CD2-CZ 3.9Å; Y554-F605 HydrophobicContact CE2-CE2 4.13Å; Y554-F605 HydrophobicContact CE2-CZ 4.13Å; Y554-F605 AromaticContact CG-CE2 3.8Å; Y554-F605 HydrophobicContact CG-CE2 3.8Å; Y554-V609 HydrophobicContact CE2-CG2 3.96Å; Y554-V609 WeakPolarHBondContact OH-CA 3.46Å; Y554-D612 WeakPolarHBondContact CE1-OD2 3.46Å; Y554-D612 PolarHBondContact OH-OD2 2.75Å
555	H	92.4	Very high	86.5	Confident	92 Å²	92	66.4 Å²	66.4	43%	0.426	37%	0.373	S	S	.	.	H	α-helix	trans	-92.5	-4	-178.5	-62.5	99.6	0	0	0	113.9	V551 A552 H553 Q557	V551-H555 PolarHBondContact O-N 2.87Å; V551-H555 PolarHBondContact O-ND1 2.92Å; A552-H555 PolarHBondContact O-N 3.25Å; H553-H555 VanDerWaalsContact C-N 3.31Å; H553-H555 PolarHBondContact O-N 2.89Å; H555-Q557 PolarHBondContact O-N 2.69Å; H555-Q557 PolarHBondContact O-NE2 3.42Å
556	A	85.3	Confident	85.6	Confident	41 Å²	41	64.4 Å²	64.4	34%	0.339	36%	0.362	S	S	.	.			trans	-59.4	132.6	-177.1	0	0	0	0	0	112	A552 H553	A552-A556 WeakPolarHBondContact O-CB 3.4Å; A552-A556 PolarHBondContact O-N 3.41Å; H553-A556 WeakPolarHBondContact O-CB 3.49Å; H553-A556 PolarHBondContact O-N 3.05Å
557	Q	78.4	Confident	84.9	Confident	137 Å²	137	70.2 Å²	70.2	64%	0.64	39%	0.391	S	S	*	.			trans	-106.2	134	176.8	-63.9	-58	-41.7	0	0	110.5	H555 S559	H555-Q557 PolarHBondContact O-N 2.69Å; H555-Q557 PolarHBondContact O-NE2 3.42Å; Q557-S559 PolarHBondContact O-N 2.88Å
558	P	75.3	Confident	84.1	Confident	24 Å²	24	73.7 Å²	73.7	16%	0.156	41%	0.409	C	S	.	.			trans	-66	131.8	175.4	24.5	-30.5	0	0	0	110.9	K566 Y569	P558-K566 HydrophobicContact CB-CG 4.38Å; P558-K566 HydrophobicContact CG-CB 3.64Å; P558-K566 HydrophobicContact CG-CG 3.77Å; P558-Y569 HydrophobicContact CB-CD1 3.75Å; P558-Y569 HydrophobicContact CB-CE1 4.22Å; P558-Y569 HydrophobicContact CB-CG 4.29Å; P558-Y569 HydrophobicContact CG-CD1 3.78Å; P558-Y569 HydrophobicContact CG-CG 4.35Å
559	S	62.1	Low	83.2	Confident	106 Å²	106	74.9 Å²	74.9	74%	0.741	41%	0.405	S	S	*	.	S	Bend	trans	-82.6	-13.7	-179	54.3	0	0	0	0	113.7	Q557	Q557-S559 PolarHBondContact O-N 2.88Å
560	Q	67.3	Low	82.6	Confident	158 Å²	158	74.3 Å²	74.3	74%	0.738	40%	0.4	S	S	*	.	S	Bend	trans	-128.7	153.5	-175	-62.2	-66.1	-22.4	0	0	111
561	G	77.4	Confident	82.2	Confident	44 Å²	44	76.1 Å²	76.1	45%	0.454	41%	0.41	S	S	.	.	S	Bend	trans	105.9	169.9	178.5	0	0	0	0	0	114.6	K566	G561-K566 VanDerWaalsContact O-CE 3.22Å; G561-K566 WeakPolarHBondContact O-CE 3.36Å
562	T	85	Confident	81.6	Confident	81 Å²	81	76.9 Å²	76.9	50%	0.497	41%	0.412	S	S	.	.			trans	-70.5	159.4	172.4	60.7	0	0	0	0	111.2	Q564 E565 K566	T562-Q564 PolarHBondContact O-N 3.45Å; T562-E565 WeakPolarHBondContact CB-OE2 3.46Å; T562-E565 PolarHBondContact N-OE2 2.9Å; T562-E565 PolarHBondContact O-N 3.23Å; T562-E565 VanDerWaalsContact O-N 3.09Å; T562-E565 VanDerWaalsContact OG1-CG 3.26Å; T562-E565 WeakPolarHBondContact OG1-CG 3.47Å; T562-E565 PolarHBondContact OG1-N 3.04Å; T562-E565 PolarHBondContact OG1-OE2 3.1Å; T562-K566 WeakPolarHBondContact O-CG 3.49Å; T562-K566 PolarHBondContact O-N 3.23Å
563	E	84.5	Confident	81.2	Confident	132 Å²	132	74.3 Å²	74.3	62%	0.617	39%	0.39	S	S	*	.	H	α-helix	trans	-55.3	-37	179.7	-69.1	-59.7	122	0	0	112.8	K566 M567	E563-K566 PolarHBondContact O-N 2.85Å; E563-K566 IonicContact OE1-NZ 2.88Å; E563-K566 PolarHBondContact OE1-NZ 2.95Å; E563-M567 VanDerWaalsContact O-CG 3.27Å; E563-M567 WeakPolarHBondContact O-CG 3.36Å; E563-M567 PolarHBondContact O-N 3.06Å
564	Q	82.4	Confident	81.3	Confident	117 Å²	117	73.3 Å²	73.3	55%	0.547	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-46.1	176	-172.1	61.7	43.4	0	0	112.2	T562 K566 M567 D568	T562-Q564 PolarHBondContact O-N 3.45Å; Q564-K566 VanDerWaalsContact C-N 3.3Å; Q564-K566 PolarHBondContact O-N 3.43Å; Q564-M567 PolarHBondContact O-N 3.34Å; Q564-D568 PolarHBondContact NE2-OD1 3.33Å; Q564-D568 PolarHBondContact O-N 3.31Å
565	E	76.7	Confident	81.2	Confident	113 Å²	113	75.8 Å²	75.8	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-37.7	176.8	-70.5	164.6	151.5	0	0	111.7	T562 D568 Y569	T562-E565 WeakPolarHBondContact CB-OE2 3.46Å; T562-E565 PolarHBondContact N-OE2 2.9Å; T562-E565 PolarHBondContact O-N 3.23Å; T562-E565 VanDerWaalsContact O-N 3.09Å; T562-E565 VanDerWaalsContact OG1-CG 3.26Å; T562-E565 WeakPolarHBondContact OG1-CG 3.47Å; T562-E565 PolarHBondContact OG1-N 3.04Å; T562-E565 PolarHBondContact OG1-OE2 3.1Å; E565-D568 PolarHBondContact O-N 3.19Å; E565-Y569 VanDerWaalsContact O-CB 3.32Å; E565-Y569 WeakPolarHBondContact O-CB 3.33Å; E565-Y569 PolarHBondContact O-N 2.74Å
566	K	76.9	Confident	81	Confident	54 Å²	54	74.1 Å²	74.1	24%	0.235	38%	0.384	C	S	.	.	H	α-helix	trans	-62.7	-44.9	175	-70	-177.9	-173.8	162.6	0	111.5	P558 G561 T562 E563 Q564 A570	P558-K566 HydrophobicContact CB-CG 4.38Å; P558-K566 HydrophobicContact CG-CB 3.64Å; P558-K566 HydrophobicContact CG-CG 3.77Å; G561-K566 VanDerWaalsContact O-CE 3.22Å; G561-K566 WeakPolarHBondContact O-CE 3.36Å; T562-K566 WeakPolarHBondContact O-CG 3.49Å; T562-K566 PolarHBondContact O-N 3.23Å; E563-K566 PolarHBondContact O-N 2.85Å; E563-K566 IonicContact OE1-NZ 2.88Å; E563-K566 PolarHBondContact OE1-NZ 2.95Å; Q564-K566 VanDerWaalsContact C-N 3.3Å; Q564-K566 PolarHBondContact O-N 3.43Å; K566-A570 VanDerWaalsContact O-CB 3.25Å; K566-A570 WeakPolarHBondContact O-CB 3.31Å; K566-A570 PolarHBondContact O-N 2.94Å
567	M	82.5	Confident	81.4	Confident	123 Å²	123	72.2 Å²	72.2	61%	0.606	37%	0.368	S	S	*	.	H	α-helix	trans	-61.9	-45.1	176.3	-73.6	179.6	71.5	0	0	111.7	E563 Q564 A570 L571	E563-M567 VanDerWaalsContact O-CG 3.27Å; E563-M567 WeakPolarHBondContact O-CG 3.36Å; E563-M567 PolarHBondContact O-N 3.06Å; Q564-M567 PolarHBondContact O-N 3.34Å; M567-A570 PolarHBondContact O-N 3.14Å; M567-L571 WeakPolarHBondContact O-CB 3.22Å; M567-L571 PolarHBondContact O-N 3.17Å
568	D	80.6	Confident	82.1	Confident	76 Å²	76	65.7 Å²	65.7	41%	0.406	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-41	179.9	-69.6	-22.5	0	0	0	112	Q564 E565 N572	Q564-D568 PolarHBondContact NE2-OD1 3.33Å; Q564-D568 PolarHBondContact O-N 3.31Å; E565-D568 PolarHBondContact O-N 3.19Å; D568-N572 PolarHBondContact O-N 2.68Å; D568-N572 VanDerWaalsContact O-N 3.09Å; D568-N572 PolarHBondContact O-ND2 2.85Å
569	Y	78.4	Confident	82.9	Confident	100 Å²	100	66 Å²	66	39%	0.392	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-50	174.2	178.1	-86.3	0	0	0	111.2	P558 E565 L571 N572 N573	P558-Y569 HydrophobicContact CB-CD1 3.75Å; P558-Y569 HydrophobicContact CB-CE1 4.22Å; P558-Y569 HydrophobicContact CB-CG 4.29Å; P558-Y569 HydrophobicContact CG-CD1 3.78Å; P558-Y569 HydrophobicContact CG-CG 4.35Å; E565-Y569 VanDerWaalsContact O-CB 3.32Å; E565-Y569 WeakPolarHBondContact O-CB 3.33Å; E565-Y569 PolarHBondContact O-N 2.74Å; Y569-L571 VanDerWaalsContact C-N 3.29Å; Y569-L571 PolarHBondContact O-N 3.34Å; Y569-N572 PolarHBondContact O-N 2.76Å; Y569-N573 HydrophobicContact CE1-CB 4.32Å; Y569-N573 VanDerWaalsContact O-CB 3.31Å; Y569-N573 WeakPolarHBondContact O-CB 3.3Å; Y569-N573 PolarHBondContact O-N 3.31Å
570	A	82.5	Confident	84.4	Confident	10 Å²	10	61.1 Å²	61.1	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-41	-179.5	0	0	0	0	0	111.5	K566 M567 N573 K574	K566-A570 VanDerWaalsContact O-CB 3.25Å; K566-A570 WeakPolarHBondContact O-CB 3.31Å; K566-A570 PolarHBondContact O-N 2.94Å; M567-A570 PolarHBondContact O-N 3.14Å; A570-N573 PolarHBondContact O-N 2.73Å; A570-K574 WeakPolarHBondContact O-CG 3.25Å; A570-K574 PolarHBondContact O-N 3.47Å
571	L	87.3	Confident	85.7	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-50.2	174.9	177.4	55.3	0	0	0	112.2	M567 Y569 N573 K574 R575 I616 A618 L619	M567-L571 WeakPolarHBondContact O-CB 3.22Å; M567-L571 PolarHBondContact O-N 3.17Å; Y569-L571 VanDerWaalsContact C-N 3.29Å; Y569-L571 PolarHBondContact O-N 3.34Å; L571-N573 VanDerWaalsContact C-N 3.33Å; L571-N573 PolarHBondContact O-N 3.43Å; L571-K574 PolarHBondContact O-N 3.41Å; L571-R575 HydrophobicContact CD1-CG 4.48Å; L571-R575 WeakPolarHBondContact O-CG 3.19Å; L571-R575 PolarHBondContact O-N 3.45Å; L571-I616 HydrophobicContact CD1-CG2 3.55Å; L571-A618 HydrophobicContact CD1-CB 4.22Å; L571-A618 HydrophobicContact CD2-CB 3.99Å; L571-L619 HydrophobicContact CD1-CD2 3.92Å; L571-L619 HydrophobicContact CD1-CG 4.1Å
572	N	83.6	Confident	86.5	Confident	58 Å²	58	52 Å²	52	31%	0.31	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-38.3	-180	-74.5	-45.7	0	0	0	112.1	L518 D568 Y569 R575 R576	L518-N572 HydrophobicContact CD1-CB 4.46Å; D568-N572 PolarHBondContact O-N 2.68Å; D568-N572 VanDerWaalsContact O-N 3.09Å; D568-N572 PolarHBondContact O-ND2 2.85Å; Y569-N572 PolarHBondContact O-N 2.76Å; N572-R575 PolarHBondContact O-N 2.74Å; N572-R576 VanDerWaalsContact O-CG 3.25Å; N572-R576 WeakPolarHBondContact O-CG 3.21Å; N572-R576 PolarHBondContact O-N 2.9Å
573	N	84.1	Confident	86.9	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.053	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-49.3	173.2	179.7	45.8	0	0	0	111.4	H553 Y569 A570 L571 R575 R576 V577	H553-N573 PolarHBondContact O-ND2 3.42Å; Y569-N573 HydrophobicContact CE1-CB 4.32Å; Y569-N573 VanDerWaalsContact O-CB 3.31Å; Y569-N573 WeakPolarHBondContact O-CB 3.3Å; Y569-N573 PolarHBondContact O-N 3.31Å; A570-N573 PolarHBondContact O-N 2.73Å; L571-N573 VanDerWaalsContact C-N 3.33Å; L571-N573 PolarHBondContact O-N 3.43Å; N573-R575 VanDerWaalsContact C-N 3.33Å; N573-R575 PolarHBondContact O-N 2.84Å; N573-R576 WeakPolarHBondContact O-CB 3.17Å; N573-R576 PolarHBondContact O-N 3.42Å; N573-R576 VanDerWaalsContact O-N 3.13Å; N573-V577 WeakPolarHBondContact O-CG2 3.38Å; N573-V577 PolarHBondContact O-N 2.74Å
574	K	92.1	Very high	87.4	Confident	22 Å²	22	44 Å²	44	10%	0.096	20%	0.204	C	C	.	.	H	α-helix	trans	-55.1	-45.2	174.4	-74.9	-173.4	178.4	-159.1	0	112.3	Y554 A570 L571 R576 V577 I578 D612 L619	Y554-K574 HydrophobicContact CD2-CB 4.11Å; Y554-K574 HydrophobicContact CD2-CG 3.9Å; Y554-K574 HydrophobicContact CE1-CD 4.15Å; Y554-K574 HydrophobicContact CE1-CG 4.41Å; Y554-K574 HydrophobicContact CE2-CB 3.67Å; Y554-K574 HydrophobicContact CE2-CD 4.05Å; Y554-K574 HydrophobicContact CE2-CG 3.66Å; Y554-K574 HydrophobicContact CG-CG 4.37Å; Y554-K574 WeakPolarHBondContact O-CE 3.48Å; Y554-K574 WeakPolarHBondContact O-CG 3.44Å; A570-K574 WeakPolarHBondContact O-CG 3.25Å; A570-K574 PolarHBondContact O-N 3.47Å; L571-K574 PolarHBondContact O-N 3.41Å; K574-R576 PolarHBondContact O-N 3.35Å; K574-V577 PolarHBondContact O-N 3.22Å; K574-I578 WeakPolarHBondContact O-CD1 3.34Å; K574-I578 VanDerWaalsContact O-CG1 3.26Å; K574-I578 WeakPolarHBondContact O-CG1 3.46Å; K574-I578 PolarHBondContact O-N 3.21Å; K574-D612 IonicContact NZ-OD1 2.61Å; K574-D612 PolarHBondContact NZ-OD1 3.4Å; K574-D612 IonicContact NZ-OD2 3.74Å; K574-D612 PolarHBondContact NZ-OD2 2.91Å; K574-L619 HydrophobicContact CB-CD2 4.39Å; K574-L619 HydrophobicContact CD-CD1 4.48Å
575	R	90.2	Very high	88	Confident	53 Å²	53	38.6 Å²	38.6	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-38.5	177.5	-69.1	179.2	79.6	-169.5	8	113.1	L518 L571 N572 N573 R579 L619 E621 Q622	L518-R575 HydrophobicContact CD1-CB 3.72Å; L518-R575 HydrophobicContact CD2-CB 3.99Å; L571-R575 HydrophobicContact CD1-CG 4.48Å; L571-R575 WeakPolarHBondContact O-CG 3.19Å; L571-R575 PolarHBondContact O-N 3.45Å; N572-R575 PolarHBondContact O-N 2.74Å; N573-R575 VanDerWaalsContact C-N 3.33Å; N573-R575 PolarHBondContact O-N 2.84Å; R575-R579 WeakPolarHBondContact O-CB 3.37Å; R575-R579 PolarHBondContact O-N 3.31Å; R575-L619 HydrophobicContact CG-CD2 3.67Å; R575-E621 IonicContact NH2-OE2 3.59Å; R575-Q622 PolarHBondContact O-NE2 3.35Å
576	R	87.6	Confident	88.8	Confident	58 Å²	58	36.6 Å²	36.6	22%	0.219	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-44.9	176.2	-70.6	164.8	172.2	149.7	2	111.5	L513 I516 L518 N572 N573 K574 R579 L580	L513-R576 VanDerWaalsContact O-CD 3.29Å; L513-R576 WeakPolarHBondContact O-CD 3.46Å; I516-R576 HydrophobicContact CB-CB 4.25Å; I516-R576 HydrophobicContact CB-CG 3.9Å; I516-R576 HydrophobicContact CD1-CB 4.21Å; I516-R576 WeakPolarHBondContact CD1-O 3.48Å; I516-R576 HydrophobicContact CG2-CB 4.24Å; I516-R576 HydrophobicContact CG2-CG 3.85Å; L518-R576 HydrophobicContact CD1-CG 4.25Å; L518-R576 HydrophobicContact CD2-CG 4.11Å; L518-R576 HydrophobicContact CG-CG 4.25Å; N572-R576 VanDerWaalsContact O-CG 3.25Å; N572-R576 WeakPolarHBondContact O-CG 3.21Å; N572-R576 PolarHBondContact O-N 2.9Å; N573-R576 WeakPolarHBondContact O-CB 3.17Å; N573-R576 PolarHBondContact O-N 3.42Å; N573-R576 VanDerWaalsContact O-N 3.13Å; K574-R576 PolarHBondContact O-N 3.35Å; R576-R579 PolarHBondContact O-N 2.9Å; R576-L580 PolarHBondContact O-N 3.18Å
577	V	94	Very high	89.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-45.7	175.7	177.3	0	0	0	0	110.7	L513 L550 H553 Y554 N573 K574 R579 L580 V581 F605	L513-V577 HydrophobicContact CD1-CG2 4.31Å; L513-V577 HydrophobicContact CD2-CB 4.43Å; L513-V577 HydrophobicContact CD2-CG2 3.88Å; L550-V577 HydrophobicContact CD2-CG1 4.41Å; H553-V577 HydrophobicContact CB-CG2 3.98Å; Y554-V577 HydrophobicContact CD2-CB 4.19Å; Y554-V577 HydrophobicContact CD2-CG1 4.13Å; N573-V577 WeakPolarHBondContact O-CG2 3.38Å; N573-V577 PolarHBondContact O-N 2.74Å; K574-V577 PolarHBondContact O-N 3.22Å; V577-R579 VanDerWaalsContact C-N 3.33Å; V577-R579 PolarHBondContact O-N 3.26Å; V577-L580 PolarHBondContact O-N 3.42Å; V577-V581 HydrophobicContact CG1-CG2 4.39Å; V577-V581 WeakPolarHBondContact O-CG2 3.39Å; V577-V581 PolarHBondContact O-N 2.97Å; V577-F605 HydrophobicContact CG1-CE2 4.04Å; V577-F605 HydrophobicContact CG1-CZ 4Å
578	I	93.9	Very high	90.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-45.4	175	-66.7	162.3	0	0	0	110.8	Y554 K574 L580 V581 L582 F605 V609 L619 Q622	Y554-I578 HydrophobicContact CE2-CD1 4.06Å; Y554-I578 HydrophobicContact CE2-CG1 3.99Å; K574-I578 WeakPolarHBondContact O-CD1 3.34Å; K574-I578 VanDerWaalsContact O-CG1 3.26Å; K574-I578 WeakPolarHBondContact O-CG1 3.46Å; K574-I578 PolarHBondContact O-N 3.21Å; I578-L580 VanDerWaalsContact C-N 3.34Å; I578-L580 PolarHBondContact O-N 3.47Å; I578-V581 PolarHBondContact O-N 3.39Å; I578-L582 HydrophobicContact CG2-CD1 3.96Å; I578-L582 HydrophobicContact CG2-CG 4.3Å; I578-L582 VanDerWaalsContact O-CG 3.3Å; I578-L582 WeakPolarHBondContact O-CG 3.1Å; I578-L582 PolarHBondContact O-N 3.12Å; I578-F605 HydrophobicContact CG1-CE1 4.12Å; I578-F605 HydrophobicContact CG1-CZ 3.88Å; I578-V609 HydrophobicContact CD1-CG1 3.74Å; I578-V609 HydrophobicContact CD1-CG2 4.04Å; I578-V609 HydrophobicContact CG1-CG1 4.36Å; I578-V609 HydrophobicContact CG1-CG2 3.92Å; I578-L619 HydrophobicContact CD1-CD2 3.9Å; I578-Q622 HydrophobicContact CG2-CB 3.75Å; I578-Q622 HydrophobicContact CG2-CG 4.36Å
579	R	91.3	Very high	90.6	Very high	31 Å²	31	27.2 Å²	27.2	12%	0.117	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-44.1	177.7	-179.2	57.8	173.9	-161.9	-3.4	111.9	I516 D527 R575 R576 V577 L582 Q583	I516-R579 HydrophobicContact CG2-CB 4.39Å; I516-R579 HydrophobicContact CG2-CG 4.24Å; D527-R579 IonicContact OD1-CZ 3.85Å; D527-R579 VanDerWaalsContact OD1-CZ 3.27Å; D527-R579 IonicContact OD1-NE 2.68Å; D527-R579 PolarHBondContact OD1-NE 2.96Å; D527-R579 VanDerWaalsContact OD1-NE 3.17Å; D527-R579 IonicContact OD1-NH2 2.83Å; D527-R579 PolarHBondContact OD1-NH2 3.35Å; D527-R579 IonicContact OD2-CZ 3.42Å; D527-R579 IonicContact OD2-NH2 3.57Å; D527-R579 PolarHBondContact OD2-NH2 3.24Å; R575-R579 WeakPolarHBondContact O-CB 3.37Å; R575-R579 PolarHBondContact O-N 3.31Å; R576-R579 PolarHBondContact O-N 2.9Å; V577-R579 VanDerWaalsContact C-N 3.33Å; V577-R579 PolarHBondContact O-N 3.26Å; R579-L582 PolarHBondContact O-N 2.98Å; R579-Q583 WeakPolarHBondContact O-CG 3.3Å; R579-Q583 PolarHBondContact O-N 3.38Å; R579-Q583 VanDerWaalsContact O-N 3.14Å
580	L	93.3	Very high	91.1	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-44.3	177.4	-174.4	69.7	0	0	0	111.4	L509 L513 I516 L530 F533 I534 L550 R576 V577 I578 L582 Q583 W584	L509-L580 HydrophobicContact CD1-CD2 3.54Å; L513-L580 HydrophobicContact CD2-CB 4Å; L513-L580 HydrophobicContact CD2-CD2 3.54Å; L513-L580 HydrophobicContact CD2-CG 4.39Å; L513-L580 HydrophobicContact CG-CD2 3.97Å; I516-L580 HydrophobicContact CD1-CB 4.12Å; L530-L580 HydrophobicContact CD1-CD1 4.06Å; L530-L580 HydrophobicContact CD2-CD1 3.9Å; L530-L580 HydrophobicContact CG-CD1 4.41Å; F533-L580 HydrophobicContact CD1-CD1 4.35Å; F533-L580 HydrophobicContact CE1-CD2 4.46Å; I534-L580 HydrophobicContact CD1-CD1 4.07Å; I534-L580 HydrophobicContact CG1-CD1 4.06Å; L550-L580 HydrophobicContact CD2-CD2 3.64Å; R576-L580 PolarHBondContact O-N 3.18Å; V577-L580 PolarHBondContact O-N 3.42Å; I578-L580 VanDerWaalsContact C-N 3.34Å; I578-L580 PolarHBondContact O-N 3.47Å; L580-L582 PolarHBondContact O-N 3.47Å; L580-Q583 PolarHBondContact O-N 2.87Å; L580-W584 WeakPolarHBondContact O-CB 3.2Å; L580-W584 PolarHBondContact O-N 2.89Å
581	V	96.1	Very high	91.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-42	177.6	171.5	0	0	0	0	111.5	L550 V577 I578 Q583 W584 A585 F601 L602 F605 L626	L550-V581 HydrophobicContact CD1-CG2 4.06Å; V577-V581 HydrophobicContact CG1-CG2 4.39Å; V577-V581 WeakPolarHBondContact O-CG2 3.39Å; V577-V581 PolarHBondContact O-N 2.97Å; I578-V581 PolarHBondContact O-N 3.39Å; V581-Q583 PolarHBondContact O-N 2.74Å; V581-W584 HydrophobicContact CG1-CE3 4.42Å; V581-W584 PolarHBondContact O-N 3.26Å; V581-A585 WeakPolarHBondContact O-CB 3.48Å; V581-A585 PolarHBondContact O-N 3.49Å; V581-F601 HydrophobicContact CG1-CE1 4.21Å; V581-F601 HydrophobicContact CG2-CE1 4.14Å; V581-F601 HydrophobicContact CG2-CZ 3.89Å; V581-L602 HydrophobicContact CG1-CD2 3.82Å; V581-F605 HydrophobicContact CB-CD1 4.45Å; V581-F605 HydrophobicContact CB-CE1 3.93Å; V581-F605 HydrophobicContact CB-CZ 4.44Å; V581-F605 HydrophobicContact CG1-CD1 3.91Å; V581-F605 HydrophobicContact CG1-CE1 3.86Å; V581-F605 HydrophobicContact CG2-CD1 4.34Å; V581-F605 HydrophobicContact CG2-CE1 3.84Å; V581-F605 HydrophobicContact CG2-CZ 3.94Å; V581-L626 HydrophobicContact CG1-CD1 4.38Å
582	L	93.1	Very high	91.6	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-44.4	176.5	-71.3	170	0	0	0	111.7	I578 R579 L580 A585 A586 E625 L626 I629	I578-L582 HydrophobicContact CG2-CD1 3.96Å; I578-L582 HydrophobicContact CG2-CG 4.3Å; I578-L582 VanDerWaalsContact O-CG 3.3Å; I578-L582 WeakPolarHBondContact O-CG 3.1Å; I578-L582 PolarHBondContact O-N 3.12Å; R579-L582 PolarHBondContact O-N 2.98Å; L580-L582 PolarHBondContact O-N 3.47Å; L582-A585 PolarHBondContact O-N 3.05Å; L582-A586 WeakPolarHBondContact O-CB 3.49Å; L582-A586 PolarHBondContact O-N 3.4Å; L582-E625 HydrophobicContact CD1-CB 4.39Å; L582-E625 HydrophobicContact CD2-CB 3.92Å; L582-L626 HydrophobicContact CD2-CB 4.14Å; L582-L626 HydrophobicContact CD2-CD1 4.3Å; L582-I629 HydrophobicContact CD2-CD1 3.8Å
583	Q	93.3	Very high	91.8	Very high	43 Å²	43	24.6 Å²	24.6	20%	0.201	13%	0.133	C	C	.	.	H	α-helix	trans	-69.9	-37.3	178.3	-66.4	-65.4	-39.9	0	0	112.1	D527 L530 I534 R579 L580 V581 A586 M587	D527-Q583 VanDerWaalsContact CG-CD 3.45Å; D527-Q583 VanDerWaalsContact CG-NE2 3.31Å; D527-Q583 VanDerWaalsContact OD1-CD 3.28Å; D527-Q583 PolarHBondContact OD1-NE2 3.5Å; D527-Q583 PolarHBondContact OD2-NE2 2.85Å; D527-Q583 VanDerWaalsContact OD2-NE2 3.15Å; L530-Q583 HydrophobicContact CD1-CG 4.39Å; I534-Q583 HydrophobicContact CD1-CB 3.29Å; I534-Q583 HydrophobicContact CD1-CG 4.46Å; R579-Q583 WeakPolarHBondContact O-CG 3.3Å; R579-Q583 PolarHBondContact O-N 3.38Å; R579-Q583 VanDerWaalsContact O-N 3.14Å; L580-Q583 PolarHBondContact O-N 2.87Å; V581-Q583 PolarHBondContact O-N 2.74Å; Q583-A586 PolarHBondContact O-N 3.5Å; Q583-M587 PolarHBondContact O-N 2.98Å
584	W	96.3	Very high	91.9	Very high	4 Å²	4	26 Å²	26	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-48.2	173.2	167.2	86.5	0	0	0	111.4	I534 H537 N543 L580 V581 A586 M587 Y588 L592 S598 F601 L602	I534-W584 HydrophobicContact CG2-CB 4.36Å; H537-W584 AromaticContact CE1-NE1 3.91Å; H537-W584 AromaticContact NE2-CD1 3.66Å; H537-W584 AromaticContact NE2-NE1 3.58Å; N543-W584 PolarHBondContact OD1-NE1 3.44Å; L580-W584 WeakPolarHBondContact O-CB 3.2Å; L580-W584 PolarHBondContact O-N 2.89Å; V581-W584 HydrophobicContact CG1-CE3 4.42Å; V581-W584 PolarHBondContact O-N 3.26Å; W584-A586 VanDerWaalsContact C-N 3.31Å; W584-A586 PolarHBondContact O-N 2.88Å; W584-M587 WeakPolarHBondContact O-CB 3.31Å; W584-M587 PolarHBondContact O-N 3.48Å; W584-M587 VanDerWaalsContact O-N 3.15Å; W584-Y588 AromaticContact CD1-CD2 3.99Å; W584-Y588 AromaticContact CD1-CE2 3.62Å; W584-Y588 HydrophobicContact CG-CD2 4.49Å; W584-Y588 AromaticContact NE1-CD2 3.77Å; W584-Y588 AromaticContact NE1-CE2 3.3Å; W584-Y588 VanDerWaalsContact NE1-CE2 3.3Å; W584-Y588 WeakPolarHBondContact O-CD2 3.4Å; W584-Y588 PolarHBondContact O-N 2.86Å; W584-L592 HydrophobicContact CH2-CD2 3.64Å; W584-L592 HydrophobicContact CZ2-CD2 3.97Å; W584-L592 HydrophobicContact CZ3-CD2 4.05Å; W584-S598 WeakPolarHBondContact CZ2-OG 3.19Å; W584-F601 HydrophobicContact CH2-CD1 4.04Å; W584-F601 HydrophobicContact CH2-CE1 4.41Å; W584-F601 HydrophobicContact CZ3-CD1 4.03Å; W584-F601 HydrophobicContact CZ3-CE1 4.04Å; W584-L602 HydrophobicContact CH2-CD1 4.35Å; W584-L602 HydrophobicContact CH2-CG 4.27Å; W584-L602 HydrophobicContact CZ3-CD1 3.87Å; W584-L602 HydrophobicContact CZ3-CD2 3.79Å; W584-L602 HydrophobicContact CZ3-CG 3.72Å
585	A	94.3	Very high	91.7	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-38	177.1	0	0	0	0	0	112.1	V581 L582 M587 Y588 G589 L592 I629	V581-A585 WeakPolarHBondContact O-CB 3.48Å; V581-A585 PolarHBondContact O-N 3.49Å; L582-A585 PolarHBondContact O-N 3.05Å; A585-M587 VanDerWaalsContact C-N 3.34Å; A585-M587 PolarHBondContact O-N 2.94Å; A585-Y588 PolarHBondContact O-N 3.11Å; A585-G589 PolarHBondContact O-N 3.3Å; A585-L592 HydrophobicContact CB-CD1 4.09Å; A585-I629 HydrophobicContact CB-CD1 4.01Å; A585-I629 HydrophobicContact CB-CG2 4.02Å
586	A	92.6	Very high	91.7	Very high	71 Å²	71	30.4 Å²	30.4	59%	0.587	17%	0.168	S	C	*	.	H	α-helix	trans	-65.2	-34	175	0	0	0	0	0	113.3	L582 Q583 W584	L582-A586 WeakPolarHBondContact O-CB 3.49Å; L582-A586 PolarHBondContact O-N 3.4Å; Q583-A586 PolarHBondContact O-N 3.5Å; W584-A586 VanDerWaalsContact C-N 3.31Å; W584-A586 PolarHBondContact O-N 2.88Å
587	M	94.1	Very high	92	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.069	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-43.9	175	174.2	65.7	71.1	0	0	112.1	N531 I534 M535 Q583 W584 A585 H792 L794	N531-M587 WeakPolarHBondContact ND2-CE 3.4Å; I534-M587 HydrophobicContact CG2-CB 3.42Å; I534-M587 VanDerWaalsContact CG2-CB 3.42Å; I534-M587 HydrophobicContact CG2-CE 4.16Å; I534-M587 HydrophobicContact CG2-CG 3.82Å; M535-M587 HydrophobicContact CB-CE 3.77Å; M535-M587 HydrophobicContact CE-CE 3.71Å; M535-M587 HydrophobicContact CE-SD 4.38Å; M535-M587 HydrophobicContact CG-CE 4.17Å; M535-M587 HydrophobicContact CG-SD 4.48Å; Q583-M587 PolarHBondContact O-N 2.98Å; W584-M587 WeakPolarHBondContact O-CB 3.31Å; W584-M587 PolarHBondContact O-N 3.48Å; W584-M587 VanDerWaalsContact O-N 3.15Å; A585-M587 VanDerWaalsContact C-N 3.34Å; A585-M587 PolarHBondContact O-N 2.94Å; M587-H792 PolarHBondContact O-CE1 2.63Å; M587-H792 PolarHBondContact O-NE2 2.7Å; M587-H792 VanDerWaalsContact O-NE2 3.12Å; M587-L794 HydrophobicContact CG-CD1 4.48Å; M587-L794 HydrophobicContact CG-CD2 4.44Å
588	Y	93.7	Very high	92	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-77.5	-37.9	-179.5	-80.1	-101.7	0	0	0	112	H537 W584 A585 D590 L591 L592 L794	H537-Y588 PolarHBondContact CE1-OH 2.94Å; H537-Y588 AromaticContact NE2-CE2 3.41Å; H537-Y588 WeakPolarHBondContact NE2-CE2 3.3Å; H537-Y588 AromaticContact NE2-CZ 3.57Å; H537-Y588 PolarHBondContact NE2-OH 2.74Å; W584-Y588 AromaticContact CD1-CD2 3.99Å; W584-Y588 AromaticContact CD1-CE2 3.62Å; W584-Y588 HydrophobicContact CG-CD2 4.49Å; W584-Y588 AromaticContact NE1-CD2 3.77Å; W584-Y588 AromaticContact NE1-CE2 3.3Å; W584-Y588 VanDerWaalsContact NE1-CE2 3.3Å; W584-Y588 WeakPolarHBondContact O-CD2 3.4Å; W584-Y588 PolarHBondContact O-N 2.86Å; A585-Y588 PolarHBondContact O-N 3.11Å; Y588-D590 PolarHBondContact O-N 3.41Å; Y588-L591 HydrophobicContact CD1-CB 4.29Å; Y588-L591 VanDerWaalsContact O-CB 3.29Å; Y588-L591 WeakPolarHBondContact O-CB 3.41Å; Y588-L591 PolarHBondContact O-N 3.16Å; Y588-L592 HydrophobicContact CG-CD2 4.15Å; Y588-L794 HydrophobicContact CD1-CD1 3.85Å; Y588-L794 HydrophobicContact CD2-CD1 4.34Å; Y588-L794 HydrophobicContact CE1-CD1 3.78Å; Y588-L794 HydrophobicContact CE2-CD1 4.27Å; Y588-L794 HydrophobicContact CG-CD1 4.14Å
589	G	91.8	Very high	91.9	Very high	31 Å²	31	31.8 Å²	31.8	32%	0.32	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	51.3	-124.1	-175.5	0	0	0	0	0	111.4	A585 L591 L592	A585-G589 PolarHBondContact O-N 3.3Å; G589-L591 PolarHBondContact O-N 3.31Å; G589-L591 VanDerWaalsContact O-N 3.16Å; G589-L592 WeakPolarHBondContact O-CG 3.34Å; G589-L592 PolarHBondContact O-N 2.87Å
590	D	87.5	Confident	92	Very high	73 Å²	73	33 Å²	33	39%	0.39	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.6	-22.8	179.2	-69.5	-0.3	0	0	0	114.2	Y588 L592 Q593 R665	Y588-D590 PolarHBondContact O-N 3.41Å; D590-L592 PolarHBondContact O-N 3.22Å; D590-Q593 WeakPolarHBondContact O-CB 3.45Å; D590-Q593 PolarHBondContact O-N 2.97Å; D590-R665 IonicContact OD2-CZ 3.78Å; D590-R665 IonicContact OD2-NH2 2.71Å; D590-R665 PolarHBondContact OD2-NH2 3.43Å
591	L	90.6	Very high	92.1	Very high	40 Å²	40	33.3 Å²	33.3	21%	0.209	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-69.1	-13.5	-179.9	-65.2	179.4	0	0	0	113.4	Y588 G589 Q593 E594 H792 L794	Y588-L591 HydrophobicContact CD1-CB 4.29Å; Y588-L591 VanDerWaalsContact O-CB 3.29Å; Y588-L591 WeakPolarHBondContact O-CB 3.41Å; Y588-L591 PolarHBondContact O-N 3.16Å; G589-L591 PolarHBondContact O-N 3.31Å; G589-L591 VanDerWaalsContact O-N 3.16Å; L591-Q593 PolarHBondContact O-N 3.47Å; L591-E594 WeakPolarHBondContact O-CB 3.47Å; L591-E594 PolarHBondContact O-N 3.49Å; L591-E594 VanDerWaalsContact O-N 3.1Å; L591-H792 HydrophobicContact CD1-CB 4.06Å; L591-H792 VanDerWaalsContact CD1-CG 3.47Å; L591-H792 WeakPolarHBondContact CD1-ND1 3.42Å; L591-L794 HydrophobicContact CD1-CD1 4.25Å
592	L	90.8	Very high	92	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58.2	-32.7	172.8	-71	167.7	0	0	0	111.6	W584 A585 Y588 G589 D590 E594 D595 M599 L602 I633	W584-L592 HydrophobicContact CH2-CD2 3.64Å; W584-L592 HydrophobicContact CZ2-CD2 3.97Å; W584-L592 HydrophobicContact CZ3-CD2 4.05Å; A585-L592 HydrophobicContact CB-CD1 4.09Å; Y588-L592 HydrophobicContact CG-CD2 4.15Å; G589-L592 WeakPolarHBondContact O-CG 3.34Å; G589-L592 PolarHBondContact O-N 2.87Å; D590-L592 PolarHBondContact O-N 3.22Å; L592-E594 PolarHBondContact O-N 3.1Å; L592-E594 VanDerWaalsContact O-N 3.1Å; L592-D595 PolarHBondContact O-N 3.25Å; L592-D595 VanDerWaalsContact O-N 3.09Å; L592-M599 HydrophobicContact CB-SD 4.14Å; L592-M599 WeakPolarHBondContact O-CG 3.49Å; L592-L602 HydrophobicContact CD1-CD1 3.7Å; L592-L602 HydrophobicContact CD2-CD1 4.17Å; L592-L602 HydrophobicContact CG-CD1 4.46Å; L592-I633 HydrophobicContact CB-CD1 4.29Å; L592-I633 HydrophobicContact CD1-CD1 3.66Å
593	Q	86.4	Confident	92	Very high	38 Å²	38	37.5 Å²	37.5	18%	0.178	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63.3	-17.3	178.3	-63.6	177.9	19.4	0	0	113.2	D590 L591 I633 D636	D590-Q593 WeakPolarHBondContact O-CB 3.45Å; D590-Q593 PolarHBondContact O-N 2.97Å; L591-Q593 PolarHBondContact O-N 3.47Å; Q593-I633 HydrophobicContact CG-CG2 3.64Å; Q593-D636 PolarHBondContact NE2-OD2 2.95Å
594	E	86.3	Confident	92.1	Very high	40 Å²	40	41.5 Å²	41.5	19%	0.187	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-90.5	-4	180	-57.8	-74.4	139.8	0	0	112.6	L591 L592 R665 G666 S667 K808	L591-E594 WeakPolarHBondContact O-CB 3.47Å; L591-E594 PolarHBondContact O-N 3.49Å; L591-E594 VanDerWaalsContact O-N 3.1Å; L592-E594 PolarHBondContact O-N 3.1Å; L592-E594 VanDerWaalsContact O-N 3.1Å; E594-R665 WeakPolarHBondContact OE1-CB 3.28Å; E594-G666 VanDerWaalsContact OE2-CA 3.24Å; E594-G666 WeakPolarHBondContact OE2-CA 3.2Å; E594-G666 PolarHBondContact OE2-N 2.97Å; E594-S667 VanDerWaalsContact OE1-CB 3.23Å; E594-S667 WeakPolarHBondContact OE1-CB 3.43Å; E594-S667 PolarHBondContact OE1-N 2.99Å; E594-S667 PolarHBondContact OE1-OG 3.23Å; E594-S667 PolarHBondContact OE2-N 3.42Å; E594-K808 PolarHBondContact O-NZ 3.32Å
595	D	89.7	Confident	92	Very high	31 Å²	31	41.5 Å²	41.5	17%	0.166	24%	0.237	C	C	.	.			trans	-131	98	-175.7	-175.4	3.6	0	0	0	111.9	N543 L592 V597 S598 M599	N543-D595 PolarHBondContact ND2-OD2 3.2Å; L592-D595 PolarHBondContact O-N 3.25Å; L592-D595 VanDerWaalsContact O-N 3.09Å; D595-V597 PolarHBondContact O-N 3.16Å; D595-V597 PolarHBondContact OD1-N 3.42Å; D595-S598 VanDerWaalsContact CG-OG 3.27Å; D595-S598 WeakPolarHBondContact O-CB 3.47Å; D595-S598 PolarHBondContact O-N 2.53Å; D595-S598 PolarHBondContact OD2-OG 3.29Å; D595-M599 PolarHBondContact O-N 3.29Å; D595-M599 VanDerWaalsContact O-N 3.08Å
596	D	89.8	Confident	92	Very high	137 Å²	137	44 Å²	44	73%	0.733	25%	0.246	S	C	*	.	H	α-helix	trans	-56.2	-33.6	-178.7	-60.6	-32.9	0	0	0	113	M599 A600	D596-M599 PolarHBondContact O-N 3.39Å; D596-A600 WeakPolarHBondContact O-CB 3.41Å; D596-A600 PolarHBondContact O-N 3Å
597	V	93.8	Very high	92.1	Very high	59 Å²	59	44.3 Å²	44.3	36%	0.358	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-43.5	178.8	177.9	0	0	0	0	110.5	T544 D595 M599 F601	T544-V597 HydrophobicContact CG2-CG2 4.31Å; D595-V597 PolarHBondContact O-N 3.16Å; D595-V597 PolarHBondContact OD1-N 3.42Å; V597-M599 VanDerWaalsContact C-N 3.32Å; V597-M599 PolarHBondContact O-N 3.28Å; V597-F601 VanDerWaalsContact O-CB 3.31Å; V597-F601 WeakPolarHBondContact O-CB 3.2Å; V597-F601 PolarHBondContact O-N 3.46Å
598	S	93.9	Very high	92.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-39.5	178	-68.4	0	0	0	0	111.6	N543 W584 D595 L602	N543-S598 PolarHBondContact ND2-OG 3.1Å; W584-S598 WeakPolarHBondContact CZ2-OG 3.19Å; D595-S598 VanDerWaalsContact CG-OG 3.27Å; D595-S598 WeakPolarHBondContact O-CB 3.47Å; D595-S598 PolarHBondContact O-N 2.53Å; D595-S598 PolarHBondContact OD2-OG 3.29Å; S598-L602 WeakPolarHBondContact O-CG 3.5Å; S598-L602 PolarHBondContact O-N 3.2Å
599	M	91.2	Very high	92.2	Very high	29 Å²	29	44.4 Å²	44.4	14%	0.143	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-51.4	176.5	-74.4	-56.1	-57.5	0	0	112.5	L592 D595 D596 V597 F601 L602 E603 I633	L592-M599 HydrophobicContact CB-SD 4.14Å; L592-M599 WeakPolarHBondContact O-CG 3.49Å; D595-M599 PolarHBondContact O-N 3.29Å; D595-M599 VanDerWaalsContact O-N 3.08Å; D596-M599 PolarHBondContact O-N 3.39Å; V597-M599 VanDerWaalsContact C-N 3.32Å; V597-M599 PolarHBondContact O-N 3.28Å; M599-F601 VanDerWaalsContact C-N 3.28Å; M599-F601 PolarHBondContact O-N 2.88Å; M599-L602 PolarHBondContact O-N 3.42Å; M599-E603 WeakPolarHBondContact O-CG 3.33Å; M599-E603 PolarHBondContact O-N 2.79Å; M599-E603 VanDerWaalsContact O-N 3.09Å; M599-I633 HydrophobicContact CE-CB 3.91Å; M599-I633 HydrophobicContact CE-CG2 3.25Å; M599-I633 HydrophobicContact SD-CB 4.26Å; M599-I633 HydrophobicContact SD-CD1 4.17Å; M599-I633 HydrophobicContact SD-CG2 3.36Å; M599-I633 WeakPolarHBondContact SD-CG2 3.1Å
600	A	93.3	Very high	92.3	Very high	55 Å²	55	44 Å²	44	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-58.7	-42.5	177.9	0	0	0	0	0	111.5	D596 E603 E604	D596-A600 WeakPolarHBondContact O-CB 3.41Å; D596-A600 PolarHBondContact O-N 3Å; A600-E603 PolarHBondContact O-N 2.97Å; A600-E604 WeakPolarHBondContact O-CB 3.36Å; A600-E604 PolarHBondContact O-N 3.22Å
601	F	96.1	Very high	92.6	Very high	11 Å²	11	43.7 Å²	43.7	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-59.7	-47.5	175	165.4	-105.9	0	0	0	112.4	C547 L550 V551 V581 W584 V597 M599 E603 E604 F605	C547-F601 HydrophobicContact CB-CB 3.81Å; C547-F601 HydrophobicContact CB-CD1 4.13Å; C547-F601 HydrophobicContact CB-CD2 3.72Å; C547-F601 HydrophobicContact CB-CE2 4.34Å; C547-F601 HydrophobicContact CB-CG 3.59Å; L550-F601 HydrophobicContact CB-CE2 4.14Å; L550-F601 HydrophobicContact CB-CZ 3.93Å; L550-F601 HydrophobicContact CD1-CE1 4.27Å; L550-F601 HydrophobicContact CD1-CZ 3.93Å; V551-F601 HydrophobicContact CG2-CD2 3.82Å; V551-F601 HydrophobicContact CG2-CE2 3.65Å; V581-F601 HydrophobicContact CG1-CE1 4.21Å; V581-F601 HydrophobicContact CG2-CE1 4.14Å; V581-F601 HydrophobicContact CG2-CZ 3.89Å; W584-F601 HydrophobicContact CH2-CD1 4.04Å; W584-F601 HydrophobicContact CH2-CE1 4.41Å; W584-F601 HydrophobicContact CZ3-CD1 4.03Å; W584-F601 HydrophobicContact CZ3-CE1 4.04Å; V597-F601 VanDerWaalsContact O-CB 3.31Å; V597-F601 WeakPolarHBondContact O-CB 3.2Å; V597-F601 PolarHBondContact O-N 3.46Å; M599-F601 VanDerWaalsContact C-N 3.28Å; M599-F601 PolarHBondContact O-N 2.88Å; F601-E603 VanDerWaalsContact C-N 3.34Å; F601-E603 PolarHBondContact O-N 3.32Å; F601-E604 PolarHBondContact O-N 2.99Å; F601-F605 HydrophobicContact CD2-CB 4.42Å; F601-F605 HydrophobicContact CE2-CB 4.1Å; F601-F605 HydrophobicContact CE2-CD2 4.1Å; F601-F605 HydrophobicContact CE2-CG 4.25Å; F601-F605 HydrophobicContact CZ-CB 4.21Å; F601-F605 HydrophobicContact CZ-CD2 4.12Å; F601-F605 HydrophobicContact CZ-CG 4.08Å; F601-F605 WeakPolarHBondContact O-CB 3.5Å; F601-F605 PolarHBondContact O-N 3.15Å
602	L	94.6	Very high	92.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-38.7	-178.9	-82.1	174.2	0	0	0	112.8	V581 W584 L592 S598 M599 Y606 L626 V630 I633	V581-L602 HydrophobicContact CG1-CD2 3.82Å; W584-L602 HydrophobicContact CH2-CD1 4.35Å; W584-L602 HydrophobicContact CH2-CG 4.27Å; W584-L602 HydrophobicContact CZ3-CD1 3.87Å; W584-L602 HydrophobicContact CZ3-CD2 3.79Å; W584-L602 HydrophobicContact CZ3-CG 3.72Å; L592-L602 HydrophobicContact CD1-CD1 3.7Å; L592-L602 HydrophobicContact CD2-CD1 4.17Å; L592-L602 HydrophobicContact CG-CD1 4.46Å; S598-L602 WeakPolarHBondContact O-CG 3.5Å; S598-L602 PolarHBondContact O-N 3.2Å; M599-L602 PolarHBondContact O-N 3.42Å; L602-Y606 VanDerWaalsContact O-CB 3.24Å; L602-Y606 WeakPolarHBondContact O-CB 3.36Å; L602-Y606 PolarHBondContact O-N 2.87Å; L602-L626 HydrophobicContact CD2-CD1 4.31Å; L602-V630 HydrophobicContact CB-CG2 4.47Å; L602-I633 HydrophobicContact CD1-CD1 4.04Å
603	E	91.8	Very high	92.8	Very high	96 Å²	96	43.4 Å²	43.4	45%	0.449	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-49.5	176.4	-69.8	179.4	171.2	0	0	111.3	M599 A600 F601 Y606 V607	M599-E603 WeakPolarHBondContact O-CG 3.33Å; M599-E603 PolarHBondContact O-N 2.79Å; M599-E603 VanDerWaalsContact O-N 3.09Å; A600-E603 PolarHBondContact O-N 2.97Å; F601-E603 VanDerWaalsContact C-N 3.34Å; F601-E603 PolarHBondContact O-N 3.32Å; E603-Y606 PolarHBondContact O-N 2.96Å; E603-V607 WeakPolarHBondContact O-CG2 3.36Å; E603-V607 PolarHBondContact O-N 3.16Å; E603-V607 VanDerWaalsContact O-N 3.16Å
604	E	94.8	Very high	93	Very high	127 Å²	127	50.7 Å²	50.7	59%	0.593	26%	0.26	S	S	*	.	H	α-helix	trans	-66.1	-40.5	178.6	-173	178.2	177.7	0	0	112.3	A600 F601 V607 S608	A600-E604 WeakPolarHBondContact O-CB 3.36Å; A600-E604 PolarHBondContact O-N 3.22Å; F601-E604 PolarHBondContact O-N 2.99Å; E604-V607 PolarHBondContact O-N 3.01Å; E604-S608 PolarHBondContact O-N 2.93Å; E604-S608 PolarHBondContact O-OG 2.98Å
605	F	95.8	Very high	93	Very high	4 Å²	4	57 Å²	57	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-41.5	177.7	-172.9	-104.7	0	0	0	111.2	Y554 V577 I578 V581 F601 V607 S608 V609 L626	Y554-F605 HydrophobicContact CD1-CE2 4.43Å; Y554-F605 AromaticContact CD2-CE2 3.62Å; Y554-F605 HydrophobicContact CD2-CE2 3.62Å; Y554-F605 AromaticContact CD2-CZ 3.9Å; Y554-F605 HydrophobicContact CD2-CZ 3.9Å; Y554-F605 HydrophobicContact CE2-CE2 4.13Å; Y554-F605 HydrophobicContact CE2-CZ 4.13Å; Y554-F605 AromaticContact CG-CE2 3.8Å; Y554-F605 HydrophobicContact CG-CE2 3.8Å; V577-F605 HydrophobicContact CG1-CE2 4.04Å; V577-F605 HydrophobicContact CG1-CZ 4Å; I578-F605 HydrophobicContact CG1-CE1 4.12Å; I578-F605 HydrophobicContact CG1-CZ 3.88Å; V581-F605 HydrophobicContact CB-CD1 4.45Å; V581-F605 HydrophobicContact CB-CE1 3.93Å; V581-F605 HydrophobicContact CB-CZ 4.44Å; V581-F605 HydrophobicContact CG1-CD1 3.91Å; V581-F605 HydrophobicContact CG1-CE1 3.86Å; V581-F605 HydrophobicContact CG2-CD1 4.34Å; V581-F605 HydrophobicContact CG2-CE1 3.84Å; V581-F605 HydrophobicContact CG2-CZ 3.94Å; F601-F605 HydrophobicContact CD2-CB 4.42Å; F601-F605 HydrophobicContact CE2-CB 4.1Å; F601-F605 HydrophobicContact CE2-CD2 4.1Å; F601-F605 HydrophobicContact CE2-CG 4.25Å; F601-F605 HydrophobicContact CZ-CB 4.21Å; F601-F605 HydrophobicContact CZ-CD2 4.12Å; F601-F605 HydrophobicContact CZ-CG 4.08Å; F601-F605 WeakPolarHBondContact O-CB 3.5Å; F601-F605 PolarHBondContact O-N 3.15Å; F605-V607 VanDerWaalsContact C-N 3.35Å; F605-V607 PolarHBondContact O-N 3.03Å; F605-S608 PolarHBondContact O-N 3.34Å; F605-V609 HydrophobicContact CD1-CG2 4.03Å; F605-V609 HydrophobicContact CE1-CG2 3.69Å; F605-V609 HydrophobicContact CE2-CG2 4.27Å; F605-V609 HydrophobicContact CG-CG2 4.46Å; F605-V609 HydrophobicContact CZ-CG2 3.81Å; F605-V609 VanDerWaalsContact O-CG2 3.27Å; F605-V609 WeakPolarHBondContact O-CG2 3.43Å; F605-V609 PolarHBondContact O-N 3.4Å; F605-L626 HydrophobicContact CD1-CD2 3.95Å; F605-L626 HydrophobicContact CE1-CD2 4.14Å
606	Y	94.6	Very high	92.9	Very high	55 Å²	55	57.9 Å²	57.9	22%	0.216	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-41.4	174.7	170.5	-105.5	0	0	0	112.5	L602 E603 V609 S610 L623 L626 E627 V630	L602-Y606 VanDerWaalsContact O-CB 3.24Å; L602-Y606 WeakPolarHBondContact O-CB 3.36Å; L602-Y606 PolarHBondContact O-N 2.87Å; E603-Y606 PolarHBondContact O-N 2.96Å; Y606-V609 PolarHBondContact O-N 3.36Å; Y606-S610 WeakPolarHBondContact CE2-OG 3.47Å; Y606-S610 VanDerWaalsContact O-CB 3.26Å; Y606-S610 WeakPolarHBondContact O-CB 2.84Å; Y606-S610 PolarHBondContact O-N 2.84Å; Y606-S610 PolarHBondContact O-OG 3.44Å; Y606-L623 HydrophobicContact CD2-CD1 4.06Å; Y606-L623 HydrophobicContact CE2-CD1 3.68Å; Y606-L623 HydrophobicContact CE2-CG 4.49Å; Y606-L626 HydrophobicContact CD2-CB 4.5Å; Y606-L626 HydrophobicContact CD2-CD2 4.11Å; Y606-L626 HydrophobicContact CD2-CG 4.03Å; Y606-E627 HydrophobicContact CE2-CB 3.7Å; Y606-E627 HydrophobicContact CE2-CG 4.08Å; Y606-V630 HydrophobicContact CG-CG2 4.26Å
607	V	94.6	Very high	92.6	Very high	78 Å²	78	55 Å²	55	47%	0.473	29%	0.291	S	S	.	.	H	α-helix	trans	-61.1	-47.9	174.6	173.3	0	0	0	0	110.4	E603 E604 F605 V609 S610 D611	E603-V607 WeakPolarHBondContact O-CG2 3.36Å; E603-V607 PolarHBondContact O-N 3.16Å; E603-V607 VanDerWaalsContact O-N 3.16Å; E604-V607 PolarHBondContact O-N 3.01Å; F605-V607 VanDerWaalsContact C-N 3.35Å; F605-V607 PolarHBondContact O-N 3.03Å; V607-V609 PolarHBondContact O-N 3.2Å; V607-S610 WeakPolarHBondContact O-CB 3.44Å; V607-S610 PolarHBondContact O-N 3.24Å; V607-D611 PolarHBondContact O-N 3.14Å
608	S	94.9	Very high	92.1	Very high	26 Å²	26	54.2 Å²	54.2	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-48	179	-56.8	0	0	0	0	112	E604 F605 S610 D611 D612	E604-S608 PolarHBondContact O-N 2.93Å; E604-S608 PolarHBondContact O-OG 2.98Å; F605-S608 PolarHBondContact O-N 3.34Å; S608-S610 PolarHBondContact O-N 3.12Å; S608-D611 PolarHBondContact O-N 3.39Å; S608-D612 PolarHBondContact O-N 3.15Å
609	V	94.9	Very high	91.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-37.5	178.3	178.7	0	0	0	0	111.6	Y554 I578 F605 Y606 V607 A613 L623 L626	Y554-V609 HydrophobicContact CE2-CG2 3.96Å; Y554-V609 WeakPolarHBondContact OH-CA 3.46Å; I578-V609 HydrophobicContact CD1-CG1 3.74Å; I578-V609 HydrophobicContact CD1-CG2 4.04Å; I578-V609 HydrophobicContact CG1-CG1 4.36Å; I578-V609 HydrophobicContact CG1-CG2 3.92Å; F605-V609 HydrophobicContact CD1-CG2 4.03Å; F605-V609 HydrophobicContact CE1-CG2 3.69Å; F605-V609 HydrophobicContact CE2-CG2 4.27Å; F605-V609 HydrophobicContact CG-CG2 4.46Å; F605-V609 HydrophobicContact CZ-CG2 3.81Å; F605-V609 VanDerWaalsContact O-CG2 3.27Å; F605-V609 WeakPolarHBondContact O-CG2 3.43Å; F605-V609 PolarHBondContact O-N 3.4Å; Y606-V609 PolarHBondContact O-N 3.36Å; V607-V609 PolarHBondContact O-N 3.2Å; V609-A613 WeakPolarHBondContact O-CB 3.35Å; V609-A613 PolarHBondContact O-N 3.3Å; V609-L623 HydrophobicContact CG1-CD1 4.06Å; V609-L626 HydrophobicContact CB-CD2 4.19Å; V609-L626 HydrophobicContact CG1-CD2 4.42Å; V609-L626 HydrophobicContact CG2-CD2 4.13Å
610	S	93.2	Very high	91.2	Very high	21 Å²	21	58.6 Å²	58.6	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-42.4	177.2	-63	0	0	0	0	111.7	Y606 V607 S608 A613 R614	Y606-S610 WeakPolarHBondContact CE2-OG 3.47Å; Y606-S610 VanDerWaalsContact O-CB 3.26Å; Y606-S610 WeakPolarHBondContact O-CB 2.84Å; Y606-S610 PolarHBondContact O-N 2.84Å; Y606-S610 PolarHBondContact O-OG 3.44Å; V607-S610 WeakPolarHBondContact O-CB 3.44Å; V607-S610 PolarHBondContact O-N 3.24Å; S608-S610 PolarHBondContact O-N 3.12Å; S610-A613 PolarHBondContact O-N 3.17Å; S610-R614 WeakPolarHBondContact O-CG 3.26Å; S610-R614 PolarHBondContact O-N 3.19Å
611	D	93.8	Very high	90.7	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-46.1	177.8	-72.8	-8.8	0	0	0	111.3	V607 S608 A613 R614	V607-D611 PolarHBondContact O-N 3.14Å; S608-D611 PolarHBondContact O-N 3.39Å; D611-A613 PolarHBondContact O-N 3.2Å; D611-R614 WeakPolarHBondContact O-CB 3.3Å; D611-R614 PolarHBondContact O-N 3.48Å; D611-R614 IonicContact OD1-CZ 2.61Å; D611-R614 IonicContact OD1-NE 2.6Å; D611-R614 IonicContact OD1-NH2 3.22Å; D611-R614 PolarHBondContact OD1-NH2 3.39Å
612	D	93.2	Very high	89.9	Confident	33 Å²	33	63.3 Å²	63.3	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-39.7	175.6	-78.2	-40.3	0	0	0	112.5	Y554 K574 S608 R614 M615 I616 L619	Y554-D612 WeakPolarHBondContact CE1-OD2 3.46Å; Y554-D612 PolarHBondContact OH-OD2 2.75Å; K574-D612 IonicContact NZ-OD1 2.61Å; K574-D612 PolarHBondContact NZ-OD1 3.4Å; K574-D612 IonicContact NZ-OD2 3.74Å; K574-D612 PolarHBondContact NZ-OD2 2.91Å; S608-D612 PolarHBondContact O-N 3.15Å; D612-R614 PolarHBondContact O-N 3.37Å; D612-M615 CarbonylContact O-C 3.49Å; D612-M615 PolarHBondContact O-N 3.01Å; D612-I616 HydrophobicContact CB-CD1 4.48Å; D612-I616 WeakPolarHBondContact O-CB 3.38Å; D612-I616 PolarHBondContact O-N 2.89Å; D612-L619 HydrophobicContact CB-CD1 3.74Å
613	A	91.7	Very high	89.6	Confident	3 Å²	3	64.7 Å²	64.7	3%	0.025	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-19.5	179.2	0	0	0	0	0	113.5	V609 S610 D611 M615 L619 K620 L623	V609-A613 WeakPolarHBondContact O-CB 3.35Å; V609-A613 PolarHBondContact O-N 3.3Å; S610-A613 PolarHBondContact O-N 3.17Å; D611-A613 PolarHBondContact O-N 3.2Å; A613-M615 VanDerWaalsContact C-N 3.32Å; A613-L619 HydrophobicContact CB-CB 4.04Å; A613-K620 HydrophobicContact CB-CG 4.28Å; A613-K620 WeakPolarHBondContact O-CE 3.44Å; A613-L623 HydrophobicContact CB-CD2 4.08Å
614	R	90.4	Very high	89.5	Confident	191 Å²	191	63.8 Å²	63.8	72%	0.721	33%	0.331	S	S	*	.	H	α-helix	trans	-67.7	-34.7	169.8	-69.2	-173.8	-114.7	-166.1	-2.5	111.7	S610 D611 D612	S610-R614 WeakPolarHBondContact O-CG 3.26Å; S610-R614 PolarHBondContact O-N 3.19Å; D611-R614 WeakPolarHBondContact O-CB 3.3Å; D611-R614 PolarHBondContact O-N 3.48Å; D611-R614 IonicContact OD1-CZ 2.61Å; D611-R614 IonicContact OD1-NE 2.6Å; D611-R614 IonicContact OD1-NH2 3.22Å; D611-R614 PolarHBondContact OD1-NH2 3.39Å; D612-R614 PolarHBondContact O-N 3.37Å
615	M	87.3	Confident	89.1	Confident	171 Å²	171	62.6 Å²	62.6	84%	0.842	33%	0.325	S	S	*	.	H	α-helix	trans	-94.8	-31	-179.1	-58.1	-169.1	-175.5	0	0	112.6	D612 A613	D612-M615 CarbonylContact O-C 3.49Å; D612-M615 PolarHBondContact O-N 3.01Å; A613-M615 VanDerWaalsContact C-N 3.32Å
616	I	87.5	Confident	88.7	Confident	51 Å²	51	62.4 Å²	62.4	26%	0.262	33%	0.325	S	S	.	.			trans	-116.8	100.3	-172	-54.2	176.2	0	0	0	109.4	L571 D612 A618 L619	L571-I616 HydrophobicContact CD1-CG2 3.55Å; D612-I616 HydrophobicContact CB-CD1 4.48Å; D612-I616 WeakPolarHBondContact O-CB 3.38Å; D612-I616 PolarHBondContact O-N 2.89Å; I616-A618 HydrophobicContact CG2-CB 4.42Å; I616-A618 PolarHBondContact O-N 3.33Å; I616-A618 VanDerWaalsContact O-N 3.16Å; I616-L619 HydrophobicContact CB-CD1 4.16Å; I616-L619 HydrophobicContact CB-CG 4.3Å; I616-L619 HydrophobicContact CD1-CD1 4.21Å; I616-L619 HydrophobicContact CG2-CD1 4.25Å; I616-L619 HydrophobicContact CG2-CG 3.99Å; I616-L619 PolarHBondContact O-N 3.04Å
617	A	84.2	Confident	88.4	Confident	76 Å²	76	62.5 Å²	62.5	63%	0.628	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-58.9	-31.6	-176	0	0	0	0	0	113.9	L619 K620	A617-L619 PolarHBondContact O-N 3.39Å; A617-K620 WeakPolarHBondContact O-CB 3.33Å; A617-K620 PolarHBondContact O-N 2.76Å
618	A	82.1	Confident	88.1	Confident	42 Å²	42	65.8 Å²	65.8	35%	0.347	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-66.9	-16.1	-178.3	0	0	0	0	0	114.6	L571 I616	L571-A618 HydrophobicContact CD1-CB 4.22Å; L571-A618 HydrophobicContact CD2-CB 3.99Å; I616-A618 HydrophobicContact CG2-CB 4.42Å; I616-A618 PolarHBondContact O-N 3.33Å; I616-A618 VanDerWaalsContact O-N 3.16Å
619	L	84.6	Confident	87.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-86.5	-13.2	176.2	-63.1	179.5	0	0	0	113.1	L571 K574 R575 I578 D612 A613 I616 A617 E621 Q622	L571-L619 HydrophobicContact CD1-CD2 3.92Å; L571-L619 HydrophobicContact CD1-CG 4.1Å; K574-L619 HydrophobicContact CB-CD2 4.39Å; K574-L619 HydrophobicContact CD-CD1 4.48Å; R575-L619 HydrophobicContact CG-CD2 3.67Å; I578-L619 HydrophobicContact CD1-CD2 3.9Å; D612-L619 HydrophobicContact CB-CD1 3.74Å; A613-L619 HydrophobicContact CB-CB 4.04Å; I616-L619 HydrophobicContact CB-CD1 4.16Å; I616-L619 HydrophobicContact CB-CG 4.3Å; I616-L619 HydrophobicContact CD1-CD1 4.21Å; I616-L619 HydrophobicContact CG2-CD1 4.25Å; I616-L619 HydrophobicContact CG2-CG 3.99Å; I616-L619 PolarHBondContact O-N 3.04Å; A617-L619 PolarHBondContact O-N 3.39Å; L619-E621 PolarHBondContact O-N 3.33Å; L619-Q622 PolarHBondContact O-N 2.89Å
620	K	82.4	Confident	87.2	Confident	121 Å²	121	67.1 Å²	67.1	53%	0.526	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.2	-177.3	-69.7	-175.8	177.1	-180	0	114	A613 A617 P624	A613-K620 HydrophobicContact CB-CG 4.28Å; A613-K620 WeakPolarHBondContact O-CE 3.44Å; A617-K620 WeakPolarHBondContact O-CB 3.33Å; A617-K620 PolarHBondContact O-N 2.76Å; K620-P624 VanDerWaalsContact O-CD 3.31Å; K620-P624 WeakPolarHBondContact O-CD 3.37Å
621	E	81.6	Confident	86.8	Confident	143 Å²	143	71 Å²	71	67%	0.668	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-38.3	-179.3	-170.3	-176	-178.8	0	0	112.4	R575 L619	R575-E621 IonicContact NH2-OE2 3.59Å; L619-E621 PolarHBondContact O-N 3.33Å
622	Q	80.6	Confident	86.1	Confident	22 Å²	22	72.6 Å²	72.6	10%	0.103	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-17	-175.8	-62.3	176.9	-63.8	0	0	113.1	R575 I578 L619 E625 L626	R575-Q622 PolarHBondContact O-NE2 3.35Å; I578-Q622 HydrophobicContact CG2-CB 3.75Å; I578-Q622 HydrophobicContact CG2-CG 4.36Å; L619-Q622 PolarHBondContact O-N 2.89Å; Q622-E625 PolarHBondContact O-N 3.14Å; Q622-L626 PolarHBondContact O-N 3.2Å
623	L	87.8	Confident	85.2	Confident	31 Å²	31	71.6 Å²	71.6	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-60.2	-41.5	-176.2	-175.2	65	0	0	0	114.2	Y606 V609 A613 E625 L626 E627	Y606-L623 HydrophobicContact CD2-CD1 4.06Å; Y606-L623 HydrophobicContact CE2-CD1 3.68Å; Y606-L623 HydrophobicContact CE2-CG 4.49Å; V609-L623 HydrophobicContact CG1-CD1 4.06Å; A613-L623 HydrophobicContact CB-CD2 4.08Å; L623-E625 VanDerWaalsContact C-N 3.3Å; L623-E625 PolarHBondContact O-N 3.34Å; L623-L626 PolarHBondContact O-N 3.43Å; L623-E627 WeakPolarHBondContact O-CB 3.41Å; L623-E627 PolarHBondContact O-N 3.34Å
624	P	89.6	Confident	84	Confident	76 Å²	76	73.1 Å²	73.1	49%	0.494	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-32.7	-179.7	-23.2	34.6	0	0	0	113.6	K620 K628	K620-P624 VanDerWaalsContact O-CD 3.31Å; K620-P624 WeakPolarHBondContact O-CD 3.37Å; P624-K628 WeakPolarHBondContact O-CB 3.42Å; P624-K628 PolarHBondContact O-N 2.96Å
625	E	86.8	Confident	82.8	Confident	103 Å²	103	70.5 Å²	70.5	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-67.7	-44.1	176.7	-66.2	-174.4	178	0	0	110.9	L582 Q622 L623 K628 I629	L582-E625 HydrophobicContact CD1-CB 4.39Å; L582-E625 HydrophobicContact CD2-CB 3.92Å; Q622-E625 PolarHBondContact O-N 3.14Å; L623-E625 VanDerWaalsContact C-N 3.3Å; L623-E625 PolarHBondContact O-N 3.34Å; E625-K628 WeakPolarHBondContact O-CB 3.1Å; E625-K628 PolarHBondContact O-N 3.24Å; E625-I629 WeakPolarHBondContact O-CG1 3.37Å; E625-I629 PolarHBondContact O-N 2.97Å
626	L	86.9	Confident	81.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-42.6	176.5	-172.1	62.1	0	0	0	111.3	V581 L582 L602 F605 Y606 V609 Q622 L623 K628 I629 V630	V581-L626 HydrophobicContact CG1-CD1 4.38Å; L582-L626 HydrophobicContact CD2-CB 4.14Å; L582-L626 HydrophobicContact CD2-CD1 4.3Å; L602-L626 HydrophobicContact CD2-CD1 4.31Å; F605-L626 HydrophobicContact CD1-CD2 3.95Å; F605-L626 HydrophobicContact CE1-CD2 4.14Å; Y606-L626 HydrophobicContact CD2-CB 4.5Å; Y606-L626 HydrophobicContact CD2-CD2 4.11Å; Y606-L626 HydrophobicContact CD2-CG 4.03Å; V609-L626 HydrophobicContact CB-CD2 4.19Å; V609-L626 HydrophobicContact CG1-CD2 4.42Å; V609-L626 HydrophobicContact CG2-CD2 4.13Å; Q622-L626 PolarHBondContact O-N 3.2Å; L623-L626 PolarHBondContact O-N 3.43Å; L626-K628 VanDerWaalsContact C-N 3.31Å; L626-K628 PolarHBondContact O-N 3.37Å; L626-I629 PolarHBondContact O-N 2.65Å; L626-V630 WeakPolarHBondContact O-CG2 3.39Å; L626-V630 PolarHBondContact O-N 2.82Å
627	E	88.4	Confident	79.8	Confident	57 Å²	57	66.1 Å²	66.1	27%	0.266	35%	0.351	S	S	.	.	H	α-helix	trans	-59.4	-42.4	175.4	-172.9	178.8	167.4	0	0	111.6	Y606 L623 I629 V630 K631	Y606-E627 HydrophobicContact CE2-CB 3.7Å; Y606-E627 HydrophobicContact CE2-CG 4.08Å; L623-E627 WeakPolarHBondContact O-CB 3.41Å; L623-E627 PolarHBondContact O-N 3.34Å; E627-I629 VanDerWaalsContact C-N 3.34Å; E627-I629 PolarHBondContact O-N 3.49Å; E627-V630 PolarHBondContact O-N 2.86Å; E627-K631 HydrophobicContact CG-CD 3.98Å; E627-K631 HydrophobicContact CG-CG 4.32Å; E627-K631 VanDerWaalsContact O-CB 3.27Å; E627-K631 WeakPolarHBondContact O-CB 3.4Å; E627-K631 WeakPolarHBondContact O-CG 3.31Å; E627-K631 PolarHBondContact O-N 3.21Å; E627-K631 WeakPolarHBondContact OE1-CE 3.47Å; E627-K631 IonicContact OE1-NZ 3.27Å; E627-K631 PolarHBondContact OE1-NZ 3.13Å
628	K	88.9	Confident	77.9	Confident	146 Å²	146	70.5 Å²	70.5	64%	0.635	36%	0.356	S	S	*	.	H	α-helix	trans	-59.7	-44.5	177.3	-177.8	-176.1	175.3	-173.3	0	111.5	P624 E625 L626 Q632	P624-K628 WeakPolarHBondContact O-CB 3.42Å; P624-K628 PolarHBondContact O-N 2.96Å; E625-K628 WeakPolarHBondContact O-CB 3.1Å; E625-K628 PolarHBondContact O-N 3.24Å; L626-K628 VanDerWaalsContact C-N 3.31Å; L626-K628 PolarHBondContact O-N 3.37Å; K628-Q632 VanDerWaalsContact O-CB 3.26Å; K628-Q632 WeakPolarHBondContact O-CB 3.5Å; K628-Q632 PolarHBondContact O-N 3.4Å
629	I	85.9	Confident	76	Confident	33 Å²	33	70.9 Å²	70.9	17%	0.169	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-52	178.6	-67.2	168.4	0	0	0	110	L582 A585 E625 L626 E627 K631 Q632 I633	L582-I629 HydrophobicContact CD2-CD1 3.8Å; A585-I629 HydrophobicContact CB-CD1 4.01Å; A585-I629 HydrophobicContact CB-CG2 4.02Å; E625-I629 WeakPolarHBondContact O-CG1 3.37Å; E625-I629 PolarHBondContact O-N 2.97Å; L626-I629 PolarHBondContact O-N 2.65Å; E627-I629 VanDerWaalsContact C-N 3.34Å; E627-I629 PolarHBondContact O-N 3.49Å; I629-K631 VanDerWaalsContact C-N 3.34Å; I629-K631 PolarHBondContact O-N 2.86Å; I629-Q632 PolarHBondContact O-N 3Å; I629-I633 HydrophobicContact CG2-CD1 3.75Å; I629-I633 WeakPolarHBondContact O-CD1 3.27Å; I629-I633 VanDerWaalsContact O-CG1 3.22Å; I629-I633 WeakPolarHBondContact O-CG1 3.46Å; I629-I633 PolarHBondContact O-N 3.44Å; I629-I633 VanDerWaalsContact O-N 3.08Å
630	V	84.6	Confident	73.8	Confident	22 Å²	22	76.8 Å²	76.8	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-62.3	-41.2	-178.6	175.4	0	0	0	0	111.5	L602 Y606 L626 E627 I633 S634	L602-V630 HydrophobicContact CB-CG2 4.47Å; Y606-V630 HydrophobicContact CG-CG2 4.26Å; L626-V630 WeakPolarHBondContact O-CG2 3.39Å; L626-V630 PolarHBondContact O-N 2.82Å; E627-V630 PolarHBondContact O-N 2.86Å; V630-I633 PolarHBondContact O-N 3.23Å; V630-S634 WeakPolarHBondContact O-CB 3.38Å; V630-S634 PolarHBondContact O-N 3.15Å
631	K	84.1	Confident	72.1	Confident	103 Å²	103	75.2 Å²	75.2	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-46.6	175.5	-78.9	-178.2	170.7	173.5	0	112.4	E627 I629 I633 S634 E635	E627-K631 HydrophobicContact CG-CD 3.98Å; E627-K631 HydrophobicContact CG-CG 4.32Å; E627-K631 VanDerWaalsContact O-CB 3.27Å; E627-K631 WeakPolarHBondContact O-CB 3.4Å; E627-K631 WeakPolarHBondContact O-CG 3.31Å; E627-K631 PolarHBondContact O-N 3.21Å; E627-K631 WeakPolarHBondContact OE1-CE 3.47Å; E627-K631 IonicContact OE1-NZ 3.27Å; E627-K631 PolarHBondContact OE1-NZ 3.13Å; I629-K631 VanDerWaalsContact C-N 3.34Å; I629-K631 PolarHBondContact O-N 2.86Å; K631-I633 PolarHBondContact O-N 3.42Å; K631-S634 PolarHBondContact O-N 3.37Å; K631-E635 WeakPolarHBondContact O-CB 3.14Å; K631-E635 WeakPolarHBondContact O-CG 3.36Å; K631-E635 PolarHBondContact O-N 3.29Å
632	Q	80.5	Confident	70.2	Confident	101 Å²	101	77.9 Å²	77.9	47%	0.472	40%	0.401	S	S	.	.	H	α-helix	trans	-57	-41.2	178.8	-177.4	174.8	-11.9	0	0	110.9	K628 I629 D636	K628-Q632 VanDerWaalsContact O-CB 3.26Å; K628-Q632 WeakPolarHBondContact O-CB 3.5Å; K628-Q632 PolarHBondContact O-N 3.4Å; I629-Q632 PolarHBondContact O-N 3Å; Q632-D636 WeakPolarHBondContact O-CB 3.34Å; Q632-D636 PolarHBondContact O-N 3.11Å
633	I	72.3	Confident	68.8	Low	11 Å²	11	82.1 Å²	82.1	6%	0.056	42%	0.419	C	S	.	.	H	α-helix	trans	-76.2	-37.8	-179.6	-49.6	157.2	0	0	0	112	L592 Q593 M599 L602 I629 V630 K631 A637	L592-I633 HydrophobicContact CB-CD1 4.29Å; L592-I633 HydrophobicContact CD1-CD1 3.66Å; Q593-I633 HydrophobicContact CG-CG2 3.64Å; M599-I633 HydrophobicContact CE-CB 3.91Å; M599-I633 HydrophobicContact CE-CG2 3.25Å; M599-I633 HydrophobicContact SD-CB 4.26Å; M599-I633 HydrophobicContact SD-CD1 4.17Å; M599-I633 HydrophobicContact SD-CG2 3.36Å; M599-I633 WeakPolarHBondContact SD-CG2 3.1Å; L602-I633 HydrophobicContact CD1-CD1 4.04Å; I629-I633 HydrophobicContact CG2-CD1 3.75Å; I629-I633 WeakPolarHBondContact O-CD1 3.27Å; I629-I633 VanDerWaalsContact O-CG1 3.22Å; I629-I633 WeakPolarHBondContact O-CG1 3.46Å; I629-I633 PolarHBondContact O-N 3.44Å; I629-I633 VanDerWaalsContact O-N 3.08Å; V630-I633 PolarHBondContact O-N 3.23Å; K631-I633 PolarHBondContact O-N 3.42Å; I633-A637 WeakPolarHBondContact O-CB 3.36Å; I633-A637 PolarHBondContact O-N 2.88Å
634	S	67.8	Low	67.4	Low	35 Å²	35	84.7 Å²	84.7	25%	0.245	43%	0.43	C	S	.	.	H	α-helix	trans	-70	-37.2	178.3	-169	0	0	0	0	113.1	V630 K631 A637 K638	V630-S634 WeakPolarHBondContact O-CB 3.38Å; V630-S634 PolarHBondContact O-N 3.15Å; K631-S634 PolarHBondContact O-N 3.37Å; S634-A637 PolarHBondContact O-N 3.36Å; S634-K638 WeakPolarHBondContact O-CB 3.41Å; S634-K638 WeakPolarHBondContact O-CG 3.42Å; S634-K638 PolarHBondContact O-N 2.86Å
635	E	65	Low	66	Low	137 Å²	137	87.1 Å²	87.1	64%	0.64	43%	0.433	S	S	*	.	H	α-helix	trans	-68	-41	176	-73.4	-179.5	177.7	0	0	111.5	K631 A637 K638 A639	K631-E635 WeakPolarHBondContact O-CB 3.14Å; K631-E635 WeakPolarHBondContact O-CG 3.36Å; K631-E635 PolarHBondContact O-N 3.29Å; E635-A637 VanDerWaalsContact C-N 3.33Å; E635-A637 PolarHBondContact O-N 2.7Å; E635-K638 PolarHBondContact O-N 3.32Å; E635-A639 PolarHBondContact O-N 3.08Å
636	D	57.9	Low	64.7	Low	61 Å²	61	82.7 Å²	82.7	33%	0.326	41%	0.413	S	S	.	.	H	α-helix	trans	-66	-32.6	173.8	-98.8	-0.6	0	0	0	113	Q593 Q632 Q641	Q593-D636 PolarHBondContact NE2-OD2 2.95Å; Q632-D636 WeakPolarHBondContact O-CB 3.34Å; Q632-D636 PolarHBondContact O-N 3.11Å; D636-Q641 WeakPolarHBondContact O-CG 3.37Å; D636-Q641 PolarHBondContact O-NE2 3.04Å
637	A	52.8	Low	63.4	Low	69 Å²	69	84.6 Å²	84.6	57%	0.57	42%	0.423	S	S	*	.	H	α-helix	trans	-76.1	-27.1	176.2	0	0	0	0	0	113.2	I633 S634 E635	I633-A637 WeakPolarHBondContact O-CB 3.36Å; I633-A637 PolarHBondContact O-N 2.88Å; S634-A637 PolarHBondContact O-N 3.36Å; E635-A637 VanDerWaalsContact C-N 3.33Å; E635-A637 PolarHBondContact O-N 2.7Å
638	K	45.7	Very low	62.2	Low	168 Å²	168	83.1 Å²	83.1	73%	0.73	42%	0.417	S	S	*	.	H	α-helix	trans	-90.8	-23.7	179.5	-79	178.1	-179.8	166.8	0	114.3	S634 E635	S634-K638 WeakPolarHBondContact O-CB 3.41Å; S634-K638 WeakPolarHBondContact O-CG 3.42Å; S634-K638 PolarHBondContact O-N 2.86Å; E635-K638 PolarHBondContact O-N 3.32Å
639	A	42.7	Very low	60.7	Low	49 Å²	49	79.1 Å²	79.1	41%	0.405	40%	0.4	S	S	.	.	S	Bend	trans	-55.4	136.9	164.7	0	0	0	0	0	107.7	E635 Q641	E635-A639 PolarHBondContact O-N 3.08Å; A639-Q641 PolarHBondContact O-N 3.46Å
640	P	38.4	Very low	59.2	Low	125 Å²	125	79.1 Å²	79.1	81%	0.812	40%	0.399	S	S	*	.			trans	-64.5	87.7	169	27.1	-31.1	0	0	0	105.9	K642	P640-K642 PolarHBondContact O-N 3.18Å
641	Q	45.4	Very low	57.6	Low	88 Å²	88	80.7 Å²	80.7	41%	0.411	41%	0.405	S	S	.	.			trans	-58	101.1	171	-73.2	-171.3	-3	0	0	103.7	D636 A639 K643	D636-Q641 WeakPolarHBondContact O-CG 3.37Å; D636-Q641 PolarHBondContact O-NE2 3.04Å; A639-Q641 PolarHBondContact O-N 3.46Å; Q641-K643 PolarHBondContact O-N 2.83Å
642	K	41.8	Very low	56.2	Low	199 Å²	199	77 Å²	77	87%	0.865	39%	0.39	S	S	*	.			trans	-58.3	91	156.3	-76	-179	178	177.4	0	102.6	P640 H644	P640-K642 PolarHBondContact O-N 3.18Å; K642-H644 WeakPolarHBondContact O-CA 3.47Å; K642-H644 PolarHBondContact O-N 3Å
643	K	51.3	Low	54.6	Low	111 Å²	111	76.5 Å²	76.5	48%	0.483	39%	0.394	S	S	.	.			trans	-37.4	113	178.5	-72.8	-178.3	170.3	-179.7	0	106.5	Q641 K645 E669	Q641-K643 PolarHBondContact O-N 2.83Å; K643-K645 PolarHBondContact O-N 3.16Å; K643-E669 HydrophobicContact CB-CG 4.43Å; K643-E669 HydrophobicContact CD-CG 3.85Å; K643-E669 WeakPolarHBondContact CD-OE1 3.34Å; K643-E669 IonicContact NZ-OE1 2.9Å; K643-E669 PolarHBondContact NZ-OE1 2.82Å
644	H	58.5	Low	53.4	Low	85 Å²	85	78.3 Å²	78.3	39%	0.394	42%	0.415	S	S	.	.			trans	-60.6	119.5	-166.8	173	-116.5	0	0	0	106.8	K642 V646 D668 E669	K642-H644 WeakPolarHBondContact O-CA 3.47Å; K642-H644 PolarHBondContact O-N 3Å; H644-V646 PolarHBondContact O-N 3.19Å; H644-V646 VanDerWaalsContact O-N 3.12Å; H644-D668 IonicContact ND1-OD2 3.23Å; H644-E669 PolarHBondContact O-N 2.83Å
645	K	59.5	Low	52.4	Low	126 Å²	126	83.5 Å²	83.5	55%	0.548	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	103.5	-178.1	-74.2	-174.4	-179.4	178.8	0	107.4	K643 L647 E669	K643-K645 PolarHBondContact O-N 3.16Å; K645-L647 PolarHBondContact O-N 3.12Å; K645-E669 WeakPolarHBondContact CA-O 3.38Å
646	V	59.7	Low	51.9	Low	10 Å²	10	81.6 Å²	81.6	6%	0.061	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	107.4	176.6	179.2	0	0	0	0	108	H644 L648 I664 D668 E669 V688	H644-V646 PolarHBondContact O-N 3.19Å; H644-V646 VanDerWaalsContact O-N 3.12Å; V646-L648 HydrophobicContact CG1-CD2 4.11Å; V646-L648 HydrophobicContact CG1-CG 4.27Å; V646-L648 PolarHBondContact O-N 3.41Å; V646-I664 HydrophobicContact CG1-CD1 3.96Å; V646-I664 HydrophobicContact CG1-CG1 4.31Å; V646-I664 HydrophobicContact CG2-CG1 4.32Å; V646-I664 HydrophobicContact CG2-CG2 4.09Å; V646-D668 HydrophobicContact CG2-CB 3.76Å; V646-E669 PolarHBondContact N-O 3.27Å; V646-V688 HydrophobicContact CG2-CG2 4.4Å
647	L	59.2	Low	51.7	Low	40 Å²	40	81 Å²	81	21%	0.209	42%	0.424	C	S	.	.			trans	-93.1	95.8	171.9	-61.1	-178.9	0	0	0	109.5	K645 F651 N652 E656 L671	K645-L647 PolarHBondContact O-N 3.12Å; L647-F651 HydrophobicContact CB-CB 4.38Å; L647-F651 HydrophobicContact CD2-CB 3.82Å; L647-N652 HydrophobicContact CB-CB 4.44Å; L647-N652 PolarHBondContact O-ND2 3.44Å; L647-E656 WeakPolarHBondContact CD1-OE2 3.27Å; L647-L671 HydrophobicContact CD2-CB 4.36Å; L647-L671 HydrophobicContact CD2-CD1 4.2Å
648	L	64.7	Low	52.1	Low	26 Å²	26	78.6 Å²	78.6	14%	0.136	41%	0.405	C	S	.	.			trans	-64.2	164.6	166.7	-63.3	177.5	0	0	0	109.8	V646 Q650 F651 V670 F672 F731 T732	V646-L648 HydrophobicContact CG1-CD2 4.11Å; V646-L648 HydrophobicContact CG1-CG 4.27Å; V646-L648 PolarHBondContact O-N 3.41Å; L648-Q650 PolarHBondContact O-N 3.17Å; L648-F651 PolarHBondContact O-N 3.08Å; L648-V670 HydrophobicContact CD1-CG2 3.97Å; L648-V670 HydrophobicContact CG-CG2 4.17Å; L648-F672 HydrophobicContact CD1-CD2 3.89Å; L648-F672 HydrophobicContact CD1-CE2 3.77Å; L648-F731 HydrophobicContact CD1-CB 3.69Å; L648-T732 HydrophobicContact CD1-CG2 4.49Å; L648-T732 HydrophobicContact CD2-CG2 4.27Å
649	Q	57.8	Low	53.2	Low	63 Å²	63	77.2 Å²	77.2	29%	0.294	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-29.7	-166.7	-159.8	176.5	10.5	0	0	115.7	F651 R657 R818	Q649-F651 PolarHBondContact O-N 3.13Å; Q649-R657 PolarHBondContact O-NH2 2.9Å; Q649-R818 VanDerWaalsContact OE1-NH2 3.09Å
650	Q	53.9	Low	54.8	Low	32 Å²	32	82.4 Å²	82.4	15%	0.15	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.4	-177.6	-65.1	177	-8.3	0	0	116.5	L648 K673	L648-Q650 PolarHBondContact O-N 3.17Å; Q650-K673 HydrophobicContact CB-CD 4.38Å; Q650-K673 PolarHBondContact O-NZ 3.34Å
651	F	51.3	Low	57	Low	55 Å²	55	80.6 Å²	80.6	24%	0.241	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	0.4	-176.4	-72.4	-78	0	0	0	114.3	L647 L648 Q649 T653 L671 K673 T683	L647-F651 HydrophobicContact CB-CB 4.38Å; L647-F651 HydrophobicContact CD2-CB 3.82Å; L648-F651 PolarHBondContact O-N 3.08Å; Q649-F651 PolarHBondContact O-N 3.13Å; F651-T653 PolarHBondContact O-N 3.41Å; F651-L671 HydrophobicContact CD2-CB 4.27Å; F651-L671 WeakPolarHBondContact CD2-O 3.5Å; F651-L671 HydrophobicContact CE2-CB 4.21Å; F651-L671 WeakPolarHBondContact CE2-O 3.42Å; F651-K673 HydrophobicContact CE1-CG 4.25Å; F651-K673 HydrophobicContact CE2-CD 4.31Å; F651-K673 HydrophobicContact CE2-CG 3.52Å; F651-K673 HydrophobicContact CZ-CD 3.99Å; F651-K673 VanDerWaalsContact CZ-CE 3.45Å; F651-K673 HydrophobicContact CZ-CG 3.3Å; F651-T683 HydrophobicContact CE1-CG2 4.21Å; F651-T683 HydrophobicContact CE2-CG2 4.23Å; F651-T683 HydrophobicContact CZ-CG2 3.52Å
652	N	54	Low	59	Low	25 Å²	25	82.6 Å²	82.6	13%	0.134	40%	0.401	C	S	.	.			trans	-88.6	110.3	-167.5	-150.6	-33.9	0	0	0	110.3	L647 E656 R657	L647-N652 HydrophobicContact CB-CB 4.44Å; L647-N652 PolarHBondContact O-ND2 3.44Å; N652-E656 VanDerWaalsContact OD1-CB 3.28Å; N652-E656 WeakPolarHBondContact OD1-CB 3.43Å; N652-R657 HydrophobicContact CB-CG 3.98Å; N652-R657 PolarHBondContact O-NE 3.43Å; N652-R657 VanDerWaalsContact O-NE 3.14Å; N652-R657 WeakPolarHBondContact OD1-CG 3.41Å; N652-R657 PolarHBondContact OD1-N 3.09Å
653	T	47.2	Very low	61.3	Low	92 Å²	92	76.4 Å²	76.4	56%	0.564	38%	0.38	S	S	*	.			trans	-71	157.1	176.1	51.8	0	0	0	0	110.8	F651 D655 E656	F651-T653 PolarHBondContact O-N 3.41Å; T653-D655 VanDerWaalsContact C-N 3.3Å; T653-D655 PolarHBondContact O-N 3.35Å; T653-D655 VanDerWaalsContact O-N 3.12Å; T653-E656 PolarHBondContact O-N 3.06Å
654	G	46.7	Very low	63.2	Low	48 Å²	48	71.9 Å²	71.9	50%	0.495	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.5	-165.7	0	0	0	0	0	116.6	Q989	G654-Q989 PolarHBondContact O-NE2 3.32Å; G654-Q989 VanDerWaalsContact O-NE2 3.07Å
655	D	47	Very low	64.7	Low	145 Å²	145	70 Å²	70	78%	0.775	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-30.1	-177.5	-81	-30.5	0	0	0	113.9	T653 A658	T653-D655 VanDerWaalsContact C-N 3.3Å; T653-D655 PolarHBondContact O-N 3.35Å; T653-D655 VanDerWaalsContact O-N 3.12Å; D655-A658 PolarHBondContact O-N 2.88Å
656	E	53.5	Low	66.1	Low	96 Å²	96	64.1 Å²	64.1	45%	0.449	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-76.8	-27.9	-178.6	-72	-173.4	174.1	0	0	112.5	L647 N652 T653 A658 Q659	L647-E656 WeakPolarHBondContact CD1-OE2 3.27Å; N652-E656 VanDerWaalsContact OD1-CB 3.28Å; N652-E656 WeakPolarHBondContact OD1-CB 3.43Å; T653-E656 PolarHBondContact O-N 3.06Å; E656-A658 PolarHBondContact O-N 3.13Å; E656-Q659 WeakPolarHBondContact O-CB 3.3Å; E656-Q659 PolarHBondContact O-N 3.1Å; E656-Q659 VanDerWaalsContact O-N 3.13Å
657	R	55.7	Low	67.6	Low	49 Å²	49	66 Å²	66	19%	0.185	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-65.3	-19.2	175.6	-65.7	-174.6	-176.5	-163	-6	113.6	Q649 N652 Q989	Q649-R657 PolarHBondContact O-NH2 2.9Å; N652-R657 HydrophobicContact CB-CG 3.98Å; N652-R657 PolarHBondContact O-NE 3.43Å; N652-R657 VanDerWaalsContact O-NE 3.14Å; N652-R657 WeakPolarHBondContact OD1-CG 3.41Å; N652-R657 PolarHBondContact OD1-N 3.09Å; R657-Q989 HydrophobicContact CB-CG 3.83Å; R657-Q989 HydrophobicContact CG-CG 4.45Å
658	A	59.8	Low	68.9	Low	19 Å²	19	64.8 Å²	64.8	16%	0.157	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-81.5	-15.9	176.6	0	0	0	0	0	112.9	D655 E656 R984	D655-A658 PolarHBondContact O-N 2.88Å; E656-A658 PolarHBondContact O-N 3.13Å; A658-R984 PolarHBondContact O-NE 3.31Å; A658-R984 PolarHBondContact O-NH2 3.13Å
659	Q	68.4	Low	70.1	Confident	139 Å²	139	64.5 Å²	64.5	65%	0.65	33%	0.332	S	S	*	.	S	Bend	trans	-65.5	157.1	-177.8	-87.8	-174.4	-9	0	0	113.6	E656 R988	E656-Q659 WeakPolarHBondContact O-CB 3.3Å; E656-Q659 PolarHBondContact O-N 3.1Å; E656-Q659 VanDerWaalsContact O-N 3.13Å; Q659-R988 PolarHBondContact O-NH1 3.37Å
660	K	77.3	Confident	71.5	Confident	158 Å²	158	61.5 Å²	61.5	69%	0.687	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-65.5	133.3	173.6	-175.2	177.8	-179.6	-178	0	109.3	E786	K660-E786 WeakPolarHBondContact CA-OE2 3.41Å; K660-E786 HydrophobicContact CG-CG 4.17Å
661	R	84.6	Confident	73.1	Confident	86 Å²	86	62.3 Å²	62.3	33%	0.325	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.6	144.1	178.4	-62.6	-67.2	-169.4	176.4	-3.8	111.7	Y783 E786 L787	R661-Y783 HydrophobicContact CG-CE2 3.98Å; R661-Y783 PolarHBondContact NE-OH 3.43Å; R661-Y783 PolarHBondContact NH2-OH 3.31Å; R661-E786 HydrophobicContact CB-CB 4.11Å; R661-E786 HydrophobicContact CG-CB 4.35Å; R661-E786 PolarHBondContact N-OE2 3.46Å; R661-L787 HydrophobicContact CG-CD2 4.06Å
662	Q	86.5	Confident	75	Confident	131 Å²	131	59.9 Å²	59.9	61%	0.612	31%	0.312	S	S	*	.			trans	-117.9	152.2	169.2	-65.8	-172.9	-7.7	0	0	109.2	I664	Q662-I664 PolarHBondContact O-N 2.94Å
663	P	90.6	Very high	76.9	Confident	68 Å²	68	60 Å²	60	44%	0.442	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-59.5	130.8	177.1	-21.4	32.3	0	0	0	111.5	C790	P663-C790 HydrophobicContact CB-CB 4.46Å; P663-C790 HydrophobicContact CG-CB 4.46Å
664	I	90.8	Very high	79.2	Confident	17 Å²	17	55.7 Å²	55.7	9%	0.087	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-82.8	129.4	172.5	-62.6	170	0	0	0	108.4	V646 Q662 V688 A811 N812 L815	V646-I664 HydrophobicContact CG1-CD1 3.96Å; V646-I664 HydrophobicContact CG1-CG1 4.31Å; V646-I664 HydrophobicContact CG2-CG1 4.32Å; V646-I664 HydrophobicContact CG2-CG2 4.09Å; Q662-I664 PolarHBondContact O-N 2.94Å; I664-V688 HydrophobicContact CG2-CB 4.42Å; I664-V688 HydrophobicContact CG2-CG1 4.06Å; I664-V688 HydrophobicContact CG2-CG2 3.92Å; I664-A811 HydrophobicContact CB-CB 4.21Å; I664-A811 HydrophobicContact CG2-CB 3.91Å; I664-N812 PolarHBondContact N-OD1 2.69Å; I664-N812 PolarHBondContact O-ND2 2.76Å; I664-L815 HydrophobicContact CD1-CD1 3.53Å
665	R	90.8	Very high	81.6	Confident	44 Å²	44	53.7 Å²	53.7	17%	0.166	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-101.3	163.2	177	-59.9	-176.6	-179.7	178.2	-0.6	111.3	D590 E594 D668	D590-R665 IonicContact OD2-CZ 3.78Å; D590-R665 IonicContact OD2-NH2 2.71Å; D590-R665 PolarHBondContact OD2-NH2 3.43Å; E594-R665 WeakPolarHBondContact OE1-CB 3.28Å; R665-D668 PolarHBondContact N-OD2 2.93Å; R665-D668 WeakPolarHBondContact O-CB 3.37Å; R665-D668 PolarHBondContact O-N 3.45Å
666	G	89.7	Confident	83.9	Confident	3 Å²	3	47.8 Å²	47.8	3%	0.031	23%	0.232	C	C	.	.	S	Bend	trans	-70	-35.7	-179.2	0	0	0	0	0	112.9	E594 D668 V688 A689	E594-G666 VanDerWaalsContact OE2-CA 3.24Å; E594-G666 WeakPolarHBondContact OE2-CA 3.2Å; E594-G666 PolarHBondContact OE2-N 2.97Å; G666-D668 VanDerWaalsContact C-N 3.32Å; G666-V688 PolarHBondContact O-N 3.47Å; G666-V688 VanDerWaalsContact O-N 3.17Å; G666-A689 PolarHBondContact O-N 3.47Å
667	S	89.4	Confident	85.7	Confident	51 Å²	51	47 Å²	47	36%	0.357	23%	0.229	S	C	.	.	S	Bend	trans	-76.3	-13.9	177.5	63.7	0	0	0	0	114.5	E594	E594-S667 VanDerWaalsContact OE1-CB 3.23Å; E594-S667 WeakPolarHBondContact OE1-CB 3.43Å; E594-S667 PolarHBondContact OE1-N 2.99Å; E594-S667 PolarHBondContact OE1-OG 3.23Å; E594-S667 PolarHBondContact OE2-N 3.42Å
668	D	88.3	Confident	87.5	Confident	13 Å²	13	49.6 Å²	49.6	7%	0.07	25%	0.247	C	C	.	.	S	Bend	trans	-58.6	144.1	175	-74.5	-17.7	0	0	0	110.5	H644 V646 R665 G666 P687 V688	H644-D668 IonicContact ND1-OD2 3.23Å; V646-D668 HydrophobicContact CG2-CB 3.76Å; R665-D668 PolarHBondContact N-OD2 2.93Å; R665-D668 WeakPolarHBondContact O-CB 3.37Å; R665-D668 PolarHBondContact O-N 3.45Å; G666-D668 VanDerWaalsContact C-N 3.32Å; D668-P687 CarbonylContact O-C 3.15Å; D668-P687 VanDerWaalsContact O-CA 3.23Å; D668-P687 WeakPolarHBondContact O-CA 3.33Å; D668-V688 HydrophobicContact CB-CG2 4.12Å; D668-V688 WeakPolarHBondContact O-CG2 3.46Å; D668-V688 PolarHBondContact O-N 3.43Å
669	E	88.4	Confident	89.2	Confident	21 Å²	21	51.8 Å²	51.8	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.8	179.4	-78.2	177.1	174.4	0	0	111.4	K643 H644 K645 V646 R685 V686	K643-E669 HydrophobicContact CB-CG 4.43Å; K643-E669 HydrophobicContact CD-CG 3.85Å; K643-E669 WeakPolarHBondContact CD-OE1 3.34Å; K643-E669 IonicContact NZ-OE1 2.9Å; K643-E669 PolarHBondContact NZ-OE1 2.82Å; H644-E669 PolarHBondContact O-N 2.83Å; K645-E669 WeakPolarHBondContact CA-O 3.38Å; V646-E669 PolarHBondContact N-O 3.27Å; E669-R685 IonicContact OE1-NH2 3.43Å; E669-R685 IonicContact OE2-CZ 3.78Å; E669-R685 IonicContact OE2-NE 2.65Å; E669-R685 PolarHBondContact OE2-NE 2.99Å; E669-R685 IonicContact OE2-NH2 3.67Å; E669-R685 PolarHBondContact OE2-NH2 3.32Å; E669-V686 WeakPolarHBondContact CA-O 3.28Å
670	V	87.1	Confident	90.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.6	175.1	64.4	0	0	0	0	110.4	L648 F672 R685 V686 V688 F731	L648-V670 HydrophobicContact CD1-CG2 3.97Å; L648-V670 HydrophobicContact CG-CG2 4.17Å; V670-F672 HydrophobicContact CG2-CB 4.27Å; V670-F672 HydrophobicContact CG2-CD2 4.18Å; V670-R685 WeakPolarHBondContact O-CA 3.25Å; V670-V686 HydrophobicContact CG1-CG2 4.1Å; V670-V686 WeakPolarHBondContact CG1-O 3.42Å; V670-V686 PolarHBondContact N-O 3.45Å; V670-V686 PolarHBondContact O-N 3.27Å; V670-V688 HydrophobicContact CB-CG2 4.27Å; V670-F731 HydrophobicContact CG1-CD2 3.88Å; V670-F731 HydrophobicContact CG1-CE2 3.78Å; V670-F731 HydrophobicContact CG1-CG 4.39Å; V670-F731 HydrophobicContact CG1-CZ 4.22Å
671	L	88.6	Confident	91.3	Very high	48 Å²	48	46.4 Å²	46.4	25%	0.251	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.6	160.5	-65.4	177.8	0	0	0	107.6	L647 F651 T683 I684 R685	L647-L671 HydrophobicContact CD2-CB 4.36Å; L647-L671 HydrophobicContact CD2-CD1 4.2Å; F651-L671 HydrophobicContact CD2-CB 4.27Å; F651-L671 WeakPolarHBondContact CD2-O 3.5Å; F651-L671 HydrophobicContact CE2-CB 4.21Å; F651-L671 WeakPolarHBondContact CE2-O 3.42Å; L671-T683 HydrophobicContact CB-CG2 4.25Å; L671-T683 HydrophobicContact CD2-CG2 4.37Å; L671-I684 WeakPolarHBondContact CA-O 3.39Å; L671-R685 HydrophobicContact CD2-CB 3.81Å; L671-R685 HydrophobicContact CD2-CG 3.99Å
672	F	91.1	Very high	91.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.3	-173.4	-156	-92.2	0	0	0	112.1	L648 V670 V674 T683 I684 F731 L734 L740	L648-F672 HydrophobicContact CD1-CD2 3.89Å; L648-F672 HydrophobicContact CD1-CE2 3.77Å; V670-F672 HydrophobicContact CG2-CB 4.27Å; V670-F672 HydrophobicContact CG2-CD2 4.18Å; F672-V674 HydrophobicContact CD1-CG2 4.31Å; F672-T683 CarbonylContact O-C 3.59Å; F672-T683 WeakPolarHBondContact O-CA 3.38Å; F672-I684 HydrophobicContact CB-CG1 4.18Å; F672-I684 PolarHBondContact N-O 3.12Å; F672-I684 PolarHBondContact O-N 2.76Å; F672-F731 HydrophobicContact CB-CD1 4.17Å; F672-F731 HydrophobicContact CB-CE1 4.23Å; F672-F731 AromaticContact CD1-CD1 3.74Å; F672-F731 HydrophobicContact CD1-CD1 3.74Å; F672-F731 HydrophobicContact CD1-CE1 4.12Å; F672-F731 HydrophobicContact CD2-CB 4Å; F672-F731 AromaticContact CD2-CD1 3.69Å; F672-F731 HydrophobicContact CD2-CD1 3.69Å; F672-F731 HydrophobicContact CD2-CG 4.09Å; F672-F731 HydrophobicContact CE1-CD1 4.05Å; F672-F731 HydrophobicContact CE2-CB 3.81Å; F672-F731 AromaticContact CE2-CD1 3.99Å; F672-F731 HydrophobicContact CE2-CD1 3.99Å; F672-F731 HydrophobicContact CE2-CG 4.3Å; F672-F731 AromaticContact CG-CD1 3.56Å; F672-F731 HydrophobicContact CG-CD1 3.56Å; F672-F731 HydrophobicContact CG-CE1 4.03Å; F672-F731 HydrophobicContact CG-CG 4.37Å; F672-F731 HydrophobicContact CZ-CB 4.4Å; F672-F731 HydrophobicContact CZ-CD1 4.16Å; F672-L734 HydrophobicContact CZ-CD1 3.72Å; F672-L740 HydrophobicContact CD1-CD2 4.47Å; F672-L740 HydrophobicContact CE1-CB 3.77Å; F672-L740 HydrophobicContact CE1-CD2 4.14Å
673	K	94	Very high	92.1	Very high	28 Å²	28	38.9 Å²	38.9	12%	0.122	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.1	175.8	-57.8	179.6	177.3	166.2	0	109.5	Q650 F651 Y675 Y681	Q650-K673 HydrophobicContact CB-CD 4.38Å; Q650-K673 PolarHBondContact O-NZ 3.34Å; F651-K673 HydrophobicContact CE1-CG 4.25Å; F651-K673 HydrophobicContact CE2-CD 4.31Å; F651-K673 HydrophobicContact CE2-CG 3.52Å; F651-K673 HydrophobicContact CZ-CD 3.99Å; F651-K673 VanDerWaalsContact CZ-CE 3.45Å; F651-K673 HydrophobicContact CZ-CG 3.3Å; K673-Y675 HydrophobicContact CB-CD2 4.34Å; K673-Y675 HydrophobicContact CB-CE2 3.65Å; K673-Y681 HydrophobicContact CB-CD2 3.75Å; K673-Y681 HydrophobicContact CB-CE2 4.39Å; K673-Y681 HydrophobicContact CB-CG 4.11Å; K673-Y681 HydrophobicContact CD-CD1 4.42Å; K673-Y681 HydrophobicContact CD-CD2 3.77Å; K673-Y681 HydrophobicContact CD-CE1 4.28Å; K673-Y681 HydrophobicContact CD-CE2 3.6Å; K673-Y681 HydrophobicContact CD-CG 4.18Å; K673-Y681 HydrophobicContact CG-CD2 3.54Å; K673-Y681 HydrophobicContact CG-CE2 3.67Å; K673-Y681 HydrophobicContact CG-CG 4.23Å
674	V	96.1	Very high	92.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.8	169.1	-172.5	0	0	0	0	108.2	F672 Y681 T682 I684 V695 V699 I711 L740 A742	F672-V674 HydrophobicContact CD1-CG2 4.31Å; V674-Y681 CarbonylContact O-C 3.5Å; V674-Y681 VanDerWaalsContact O-CA 3.27Å; V674-Y681 WeakPolarHBondContact O-CA 3.46Å; V674-Y681 WeakPolarHBondContact O-CB 3.4Å; V674-T682 PolarHBondContact N-O 3.43Å; V674-T682 PolarHBondContact O-N 2.96Å; V674-I684 HydrophobicContact CG2-CD1 3.86Å; V674-I684 HydrophobicContact CG2-CG1 4.17Å; V674-V695 HydrophobicContact CG2-CG1 4.47Å; V674-V699 HydrophobicContact CB-CG2 3.94Å; V674-V699 HydrophobicContact CG1-CG2 4.02Å; V674-V699 HydrophobicContact CG2-CG2 3.95Å; V674-I711 HydrophobicContact CG1-CD1 4.34Å; V674-L740 HydrophobicContact CG2-CD2 4.31Å; V674-A742 HydrophobicContact CG1-CB 3.69Å
675	Y	96.2	Very high	92.3	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.4	-171.3	-67.3	-98.2	0	0	0	111.7	K673 T680 Y681 R739 L740 F741 A742 L754	K673-Y675 HydrophobicContact CB-CD2 4.34Å; K673-Y675 HydrophobicContact CB-CE2 3.65Å; Y675-T680 CarbonylContact C-O 3.57Å; Y675-T680 VanDerWaalsContact CA-O 3.29Å; Y675-T680 WeakPolarHBondContact CA-O 3.42Å; Y675-Y681 HydrophobicContact CD1-CD1 4.34Å; Y675-Y681 HydrophobicContact CD1-CG 4.41Å; Y675-Y681 AromaticContact CE1-CD1 3.88Å; Y675-Y681 HydrophobicContact CE1-CD1 3.88Å; Y675-Y681 HydrophobicContact CE1-CG 4.16Å; Y675-R739 HydrophobicContact CD2-CB 4.47Å; Y675-R739 HydrophobicContact CE2-CG 4.5Å; Y675-L740 PolarHBondContact N-O 3.08Å; Y675-F741 HydrophobicContact CG-CE1 4.48Å; Y675-F741 CarbonylContact O-C 3.54Å; Y675-F741 WeakPolarHBondContact O-CA 3.3Å; Y675-A742 PolarHBondContact O-N 3.13Å; Y675-L754 HydrophobicContact CD1-CD1 3.52Å; Y675-L754 HydrophobicContact CD1-CD2 4Å; Y675-L754 HydrophobicContact CD1-CG 4.39Å; Y675-L754 HydrophobicContact CD2-CD1 4.14Å; Y675-L754 HydrophobicContact CE1-CD1 3.27Å; Y675-L754 HydrophobicContact CE1-CD2 4.36Å; Y675-L754 HydrophobicContact CE1-CG 4.46Å; Y675-L754 HydrophobicContact CE2-CD1 3.95Å; Y675-L754 HydrophobicContact CG-CD1 3.94Å; Y675-L754 VanDerWaalsContact CZ-CD1 3.49Å
676	C	94.4	Very high	92.4	Very high	20 Å²	20	40.3 Å²	40.3	14%	0.135	20%	0.202	C	C	.	.			trans	-96.1	173.5	170.3	-62.1	0	0	0	0	110	D678 H679 T680	C676-D678 WeakPolarHBondContact CB-OD1 3.28Å; C676-D678 PolarHBondContact O-N 2.99Å; C676-H679 PolarHBondContact O-N 3.47Å; C676-H679 VanDerWaalsContact O-N 3.09Å; C676-T680 PolarHBondContact N-O 2.69Å
677	M	92.6	Very high	92.6	Very high	80 Å²	80	42.7 Å²	42.7	39%	0.394	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-29	-179.3	66.9	170.8	-67.1	0	0	113.8	H679 Q747 L751	M677-H679 PolarHBondContact O-CD2 3.01Å; M677-H679 PolarHBondContact O-N 2.83Å; M677-Q747 HydrophobicContact SD-CG 4.27Å; M677-Q747 PolarHBondContact SD-OE1 3.31Å; M677-L751 HydrophobicContact CB-CD2 3.96Å
678	D	93.1	Very high	92.7	Very high	104 Å²	104	40.5 Å²	40.5	56%	0.556	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	10.8	179.8	66.5	-7.1	0	0	0	112.8	C676 T680	C676-D678 WeakPolarHBondContact CB-OD1 3.28Å; C676-D678 PolarHBondContact O-N 2.99Å; D678-T680 PolarHBondContact O-N 3.23Å; D678-T680 VanDerWaalsContact O-N 3.15Å; D678-T680 WeakPolarHBondContact OD1-CB 3.18Å; D678-T680 WeakPolarHBondContact OD1-CG2 3.34Å; D678-T680 PolarHBondContact OD1-N 3.27Å; D678-T680 PolarHBondContact OD1-OG1 3.03Å; D678-T680 WeakPolarHBondContact OD2-CG2 3.5Å; D678-T680 PolarHBondContact OD2-OG1 3.14Å
679	H	95.7	Very high	93	Very high	64 Å²	64	41 Å²	41	30%	0.296	21%	0.207	S	C	.	.	S	Bend	trans	66	7	-179.2	-58.3	-176.4	0	0	0	114.7	C676 M677 T752 P753 L754	C676-H679 PolarHBondContact O-N 3.47Å; C676-H679 VanDerWaalsContact O-N 3.09Å; M677-H679 PolarHBondContact O-CD2 3.01Å; M677-H679 PolarHBondContact O-N 2.83Å; H679-T752 PolarHBondContact NE2-O 3.45Å; H679-T752 PolarHBondContact NE2-OG1 3Å; H679-P753 PolarHBondContact CE1-O 2.9Å; H679-L754 HydrophobicContact CB-CD2 3.61Å
680	T	94.9	Very high	93.3	Very high	74 Å²	74	40.2 Å²	40.2	45%	0.454	20%	0.204	S	C	.	.			trans	-68.4	163.5	162	68.9	0	0	0	0	109.9	Y675 C676 D678	Y675-T680 CarbonylContact C-O 3.57Å; Y675-T680 VanDerWaalsContact CA-O 3.29Å; Y675-T680 WeakPolarHBondContact CA-O 3.42Å; C676-T680 PolarHBondContact N-O 2.69Å; D678-T680 PolarHBondContact O-N 3.23Å; D678-T680 VanDerWaalsContact O-N 3.15Å; D678-T680 WeakPolarHBondContact OD1-CB 3.18Å; D678-T680 WeakPolarHBondContact OD1-CG2 3.34Å; D678-T680 PolarHBondContact OD1-N 3.27Å; D678-T680 PolarHBondContact OD1-OG1 3.03Å; D678-T680 WeakPolarHBondContact OD2-CG2 3.5Å; D678-T680 PolarHBondContact OD2-OG1 3.14Å
681	Y	95.1	Very high	93.7	Very high	111 Å²	111	41 Å²	41	44%	0.435	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.3	178.9	66.3	-89.4	0	0	0	112.8	K673 V674 Y675	K673-Y681 HydrophobicContact CB-CD2 3.75Å; K673-Y681 HydrophobicContact CB-CE2 4.39Å; K673-Y681 HydrophobicContact CB-CG 4.11Å; K673-Y681 HydrophobicContact CD-CD1 4.42Å; K673-Y681 HydrophobicContact CD-CD2 3.77Å; K673-Y681 HydrophobicContact CD-CE1 4.28Å; K673-Y681 HydrophobicContact CD-CE2 3.6Å; K673-Y681 HydrophobicContact CD-CG 4.18Å; K673-Y681 HydrophobicContact CG-CD2 3.54Å; K673-Y681 HydrophobicContact CG-CE2 3.67Å; K673-Y681 HydrophobicContact CG-CG 4.23Å; V674-Y681 CarbonylContact O-C 3.5Å; V674-Y681 VanDerWaalsContact O-CA 3.27Å; V674-Y681 WeakPolarHBondContact O-CA 3.46Å; V674-Y681 WeakPolarHBondContact O-CB 3.4Å; Y675-Y681 HydrophobicContact CD1-CD1 4.34Å; Y675-Y681 HydrophobicContact CD1-CG 4.41Å; Y675-Y681 AromaticContact CE1-CD1 3.88Å; Y675-Y681 HydrophobicContact CE1-CD1 3.88Å; Y675-Y681 HydrophobicContact CE1-CG 4.16Å
682	T	93.6	Very high	94.1	Very high	17 Å²	17	38.7 Å²	38.7	10%	0.104	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.3	168.6	-64.8	0	0	0	0	109.1	V674 I684 K702 L703	V674-T682 PolarHBondContact N-O 3.43Å; V674-T682 PolarHBondContact O-N 2.96Å; T682-I684 HydrophobicContact CG2-CG2 4.23Å; T682-K702 HydrophobicContact CG2-CB 3.6Å; T682-K702 HydrophobicContact CG2-CD 3.41Å; T682-K702 VanDerWaalsContact CG2-CD 3.41Å; T682-K702 HydrophobicContact CG2-CG 4.11Å; T682-L703 WeakPolarHBondContact OG1-CD2 3.42Å
683	T	94.2	Very high	94.3	Very high	42 Å²	42	45.7 Å²	45.7	26%	0.258	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114.2	170.9	-57.1	0	0	0	0	109.2	F651 L671 F672 K702	F651-T683 HydrophobicContact CE1-CG2 4.21Å; F651-T683 HydrophobicContact CE2-CG2 4.23Å; F651-T683 HydrophobicContact CZ-CG2 3.52Å; L671-T683 HydrophobicContact CB-CG2 4.25Å; L671-T683 HydrophobicContact CD2-CG2 4.37Å; F672-T683 CarbonylContact O-C 3.59Å; F672-T683 WeakPolarHBondContact O-CA 3.38Å; T683-K702 PolarHBondContact O-NZ 3.42Å
684	I	92.8	Very high	94.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	153.1	173	61.2	173.4	0	0	0	110.8	L671 F672 V674 T682 V686 V695 A698 V699 F731	L671-I684 WeakPolarHBondContact CA-O 3.39Å; F672-I684 HydrophobicContact CB-CG1 4.18Å; F672-I684 PolarHBondContact N-O 3.12Å; F672-I684 PolarHBondContact O-N 2.76Å; V674-I684 HydrophobicContact CG2-CD1 3.86Å; V674-I684 HydrophobicContact CG2-CG1 4.17Å; T682-I684 HydrophobicContact CG2-CG2 4.23Å; I684-V686 HydrophobicContact CD1-CG1 4.37Å; I684-V686 HydrophobicContact CD1-CG2 3.97Å; I684-V686 HydrophobicContact CG1-CG2 4.33Å; I684-V695 HydrophobicContact CD1-CB 4.49Å; I684-V695 HydrophobicContact CD1-CG1 3.85Å; I684-V695 HydrophobicContact CD1-CG2 4.37Å; I684-A698 HydrophobicContact CB-CB 4.34Å; I684-A698 HydrophobicContact CG2-CB 4.07Å; I684-V699 HydrophobicContact CG2-CG2 3.8Å; I684-F731 HydrophobicContact CD1-CE1 4.46Å
685	R	92.3	Very high	94.3	Very high	145 Å²	145	49.1 Å²	49.1	55%	0.547	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	105.5	173.2	-178.8	-177.8	176.2	-168.2	-3.8	107.6	E669 V670 L671	E669-R685 IonicContact OE1-NH2 3.43Å; E669-R685 IonicContact OE2-CZ 3.78Å; E669-R685 IonicContact OE2-NE 2.65Å; E669-R685 PolarHBondContact OE2-NE 2.99Å; E669-R685 IonicContact OE2-NH2 3.67Å; E669-R685 PolarHBondContact OE2-NH2 3.32Å; V670-R685 WeakPolarHBondContact O-CA 3.25Å; L671-R685 HydrophobicContact CD2-CB 3.81Å; L671-R685 HydrophobicContact CD2-CG 3.99Å
686	V	92.8	Very high	94.3	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.1	-175	-65.8	0	0	0	0	110	E669 V670 I684 T690 A698 F731	E669-V686 WeakPolarHBondContact CA-O 3.28Å; V670-V686 HydrophobicContact CG1-CG2 4.1Å; V670-V686 WeakPolarHBondContact CG1-O 3.42Å; V670-V686 PolarHBondContact N-O 3.45Å; V670-V686 PolarHBondContact O-N 3.27Å; I684-V686 HydrophobicContact CD1-CG1 4.37Å; I684-V686 HydrophobicContact CD1-CG2 3.97Å; I684-V686 HydrophobicContact CG1-CG2 4.33Å; V686-T690 HydrophobicContact CB-CG2 3.99Å; V686-T690 HydrophobicContact CG1-CG2 4.38Å; V686-T690 HydrophobicContact CG2-CG2 4.12Å; V686-A698 HydrophobicContact CG1-CB 3.9Å; V686-F731 HydrophobicContact CG2-CE1 4.48Å; V686-F731 HydrophobicContact CG2-CE2 4.09Å; V686-F731 HydrophobicContact CG2-CZ 3.58Å
687	P	93.8	Very high	94.3	Very high	52 Å²	52	53.4 Å²	53.4	34%	0.338	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	153.1	168.7	-26.4	33.6	0	0	0	113.3	D668 A689 T690	D668-P687 CarbonylContact O-C 3.15Å; D668-P687 VanDerWaalsContact O-CA 3.23Å; D668-P687 WeakPolarHBondContact O-CA 3.33Å; P687-A689 VanDerWaalsContact C-N 3.31Å; P687-A689 PolarHBondContact O-N 2.85Å; P687-T690 VanDerWaalsContact CD-OG1 3.25Å; P687-T690 WeakPolarHBondContact CD-OG1 3.32Å; P687-T690 WeakPolarHBondContact O-CB 3.25Å; P687-T690 PolarHBondContact O-N 2.71Å; P687-T690 PolarHBondContact O-OG1 3.06Å
688	V	92.3	Very high	94.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.03	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-39	176	170.6	0	0	0	0	111	V646 I664 G666 D668 V670 T690 S729 A811	V646-V688 HydrophobicContact CG2-CG2 4.4Å; I664-V688 HydrophobicContact CG2-CB 4.42Å; I664-V688 HydrophobicContact CG2-CG1 4.06Å; I664-V688 HydrophobicContact CG2-CG2 3.92Å; G666-V688 PolarHBondContact O-N 3.47Å; G666-V688 VanDerWaalsContact O-N 3.17Å; D668-V688 HydrophobicContact CB-CG2 4.12Å; D668-V688 WeakPolarHBondContact O-CG2 3.46Å; D668-V688 PolarHBondContact O-N 3.43Å; V670-V688 HydrophobicContact CB-CG2 4.27Å; V688-T690 PolarHBondContact O-N 2.97Å; V688-S729 VanDerWaalsContact O-CA 3.25Å; V688-S729 WeakPolarHBondContact O-CA 3.29Å; V688-A811 HydrophobicContact CG1-CB 4.07Å
689	A	93.5	Very high	94.5	Very high	23 Å²	23	45.8 Å²	45.8	19%	0.19	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	0.9	-178.9	0	0	0	0	0	114.8	G666 P687	G666-A689 PolarHBondContact O-N 3.47Å; P687-A689 VanDerWaalsContact C-N 3.31Å; P687-A689 PolarHBondContact O-N 2.85Å
690	T	94.4	Very high	94.4	Very high	5 Å²	5	44 Å²	44	3%	0.031	23%	0.232	C	C	.	.			trans	-53	142	-177.2	-75.1	0	0	0	0	113.3	V686 P687 V688 E694 V695 S729	V686-T690 HydrophobicContact CB-CG2 3.99Å; V686-T690 HydrophobicContact CG1-CG2 4.38Å; V686-T690 HydrophobicContact CG2-CG2 4.12Å; P687-T690 VanDerWaalsContact CD-OG1 3.25Å; P687-T690 WeakPolarHBondContact CD-OG1 3.32Å; P687-T690 WeakPolarHBondContact O-CB 3.25Å; P687-T690 PolarHBondContact O-N 2.71Å; P687-T690 PolarHBondContact O-OG1 3.06Å; V688-T690 PolarHBondContact O-N 2.97Å; T690-E694 VanDerWaalsContact CA-OE2 3.3Å; T690-E694 WeakPolarHBondContact CA-OE2 3.13Å; T690-E694 HydrophobicContact CG2-CB 3.42Å; T690-E694 VanDerWaalsContact CG2-CB 3.42Å; T690-E694 HydrophobicContact CG2-CG 4.42Å; T690-E694 VanDerWaalsContact CG2-OE2 3.28Å; T690-E694 WeakPolarHBondContact CG2-OE2 3.32Å; T690-E694 PolarHBondContact OG1-OE2 3.17Å; T690-V695 HydrophobicContact CG2-CG2 3.81Å; T690-S729 PolarHBondContact O-N 3.48Å; T690-S729 VanDerWaalsContact O-N 3.12Å
691	S	96.3	Very high	94.2	Very high	16 Å²	16	46.9 Å²	46.9	11%	0.112	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-79	156	176.8	68.4	0	0	0	0	112.4	K693 E694 V695 D727	S691-K693 PolarHBondContact O-N 3.12Å; S691-E694 PolarHBondContact N-OE2 3.06Å; S691-E694 VanDerWaalsContact N-OE2 3.14Å; S691-E694 WeakPolarHBondContact O-CB 3.28Å; S691-E694 PolarHBondContact O-N 2.83Å; S691-E694 WeakPolarHBondContact OG-CG 3.36Å; S691-E694 PolarHBondContact OG-N 3.13Å; S691-E694 PolarHBondContact OG-OE1 3.03Å; S691-V695 PolarHBondContact O-N 3.04Å; S691-D727 CarbonylContact C-O 3.55Å; S691-D727 VanDerWaalsContact CA-O 3.31Å; S691-D727 WeakPolarHBondContact CA-O 3.22Å
692	V	96.3	Very high	94.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-35.9	174.7	169.2	0	0	0	0	111.5	E694 V695 I696 I711 L723 K724 D727 V730	V692-E694 VanDerWaalsContact C-N 3.33Å; V692-E694 PolarHBondContact O-N 3.27Å; V692-V695 WeakPolarHBondContact O-CB 3.3Å; V692-V695 PolarHBondContact O-N 3.02Å; V692-I696 HydrophobicContact CG1-CD1 4Å; V692-I696 HydrophobicContact CG1-CG1 4.4Å; V692-I696 VanDerWaalsContact O-CG1 3.31Å; V692-I696 WeakPolarHBondContact O-CG1 3.46Å; V692-I696 PolarHBondContact O-N 3.42Å; V692-I711 HydrophobicContact CG1-CB 3.9Å; V692-I711 HydrophobicContact CG1-CG1 3.91Å; V692-L723 HydrophobicContact CG1-CB 4.31Å; V692-L723 HydrophobicContact CG2-CB 3.82Å; V692-L723 HydrophobicContact CG2-CD1 4.2Å; V692-K724 VanDerWaalsContact CB-O 3.26Å; V692-K724 WeakPolarHBondContact CB-O 3.42Å; V692-K724 WeakPolarHBondContact CG2-O 3.46Å; V692-D727 HydrophobicContact CG2-CB 3.87Å; V692-D727 PolarHBondContact N-O 3.25Å; V692-V730 HydrophobicContact CG2-CG1 3.66Å; V692-V730 HydrophobicContact CG2-CG2 4.31Å
693	K	95.1	Very high	93.9	Very high	150 Å²	150	50.2 Å²	50.2	65%	0.652	26%	0.264	S	S	*	.	H	α-helix	trans	-58	-44.8	174	-175.1	-178.8	177.3	-177	0	112.2	S691 I696 S697 P725	S691-K693 PolarHBondContact O-N 3.12Å; K693-I696 PolarHBondContact O-N 2.91Å; K693-S697 PolarHBondContact O-N 3.49Å; K693-P725 HydrophobicContact CB-CB 4.32Å; K693-P725 PolarHBondContact N-O 3.43Å; K693-P725 VanDerWaalsContact N-O 3.1Å
694	E	95.3	Very high	93.4	Very high	101 Å²	101	51.7 Å²	51.7	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-69	-36.6	176.6	-71.6	150	-136.7	0	0	112	T690 S691 V692 S697 A698	T690-E694 VanDerWaalsContact CA-OE2 3.3Å; T690-E694 WeakPolarHBondContact CA-OE2 3.13Å; T690-E694 HydrophobicContact CG2-CB 3.42Å; T690-E694 VanDerWaalsContact CG2-CB 3.42Å; T690-E694 HydrophobicContact CG2-CG 4.42Å; T690-E694 VanDerWaalsContact CG2-OE2 3.28Å; T690-E694 WeakPolarHBondContact CG2-OE2 3.32Å; T690-E694 PolarHBondContact OG1-OE2 3.17Å; S691-E694 PolarHBondContact N-OE2 3.06Å; S691-E694 VanDerWaalsContact N-OE2 3.14Å; S691-E694 WeakPolarHBondContact O-CB 3.28Å; S691-E694 PolarHBondContact O-N 2.83Å; S691-E694 WeakPolarHBondContact OG-CG 3.36Å; S691-E694 PolarHBondContact OG-N 3.13Å; S691-E694 PolarHBondContact OG-OE1 3.03Å; V692-E694 VanDerWaalsContact C-N 3.33Å; V692-E694 PolarHBondContact O-N 3.27Å; E694-S697 WeakPolarHBondContact O-CB 3.32Å; E694-S697 PolarHBondContact O-N 3.08Å; E694-A698 WeakPolarHBondContact O-CB 3.49Å; E694-A698 PolarHBondContact O-N 3.19Å
695	V	95.8	Very high	92.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-46.7	172.4	173.2	0	0	0	0	110.7	V674 I684 T690 S691 V692 S697 A698 V699 I711 F731 L740	V674-V695 HydrophobicContact CG2-CG1 4.47Å; I684-V695 HydrophobicContact CD1-CB 4.49Å; I684-V695 HydrophobicContact CD1-CG1 3.85Å; I684-V695 HydrophobicContact CD1-CG2 4.37Å; T690-V695 HydrophobicContact CG2-CG2 3.81Å; S691-V695 PolarHBondContact O-N 3.04Å; V692-V695 WeakPolarHBondContact O-CB 3.3Å; V692-V695 PolarHBondContact O-N 3.02Å; V695-S697 VanDerWaalsContact C-N 3.3Å; V695-S697 PolarHBondContact O-N 2.96Å; V695-A698 PolarHBondContact O-N 3.33Å; V695-V699 HydrophobicContact CG1-CG2 4.46Å; V695-V699 WeakPolarHBondContact O-CG2 3.43Å; V695-V699 PolarHBondContact O-N 2.9Å; V695-I711 HydrophobicContact CG1-CD1 3.93Å; V695-I711 HydrophobicContact CG1-CG1 4.16Å; V695-F731 HydrophobicContact CG2-CE1 4.08Å; V695-F731 HydrophobicContact CG2-CZ 3.75Å; V695-L740 HydrophobicContact CG1-CD2 4.46Å
696	I	95.3	Very high	91.1	Very high	39 Å²	39	50.1 Å²	50.1	20%	0.2	31%	0.308	C	S	.	.	H	α-helix	trans	-57.1	-47.2	175.7	-69.3	165.5	0	0	0	110.1	V692 K693 A698 V699 A700 L709 I711	V692-I696 HydrophobicContact CG1-CD1 4Å; V692-I696 HydrophobicContact CG1-CG1 4.4Å; V692-I696 VanDerWaalsContact O-CG1 3.31Å; V692-I696 WeakPolarHBondContact O-CG1 3.46Å; V692-I696 PolarHBondContact O-N 3.42Å; K693-I696 PolarHBondContact O-N 2.91Å; I696-A698 PolarHBondContact O-N 3.47Å; I696-V699 PolarHBondContact O-N 3.07Å; I696-A700 VanDerWaalsContact O-CB 3.29Å; I696-A700 WeakPolarHBondContact O-CB 3.5Å; I696-A700 PolarHBondContact O-N 3.2Å; I696-L709 HydrophobicContact CG2-CB 4.09Å; I696-I711 HydrophobicContact CD1-CG1 4.19Å; I696-I711 HydrophobicContact CG1-CD1 4.03Å; I696-I711 HydrophobicContact CG1-CG1 3.49Å; I696-I711 VanDerWaalsContact CG1-CG1 3.49Å
697	S	94.8	Very high	89.9	Confident	79 Å²	79	59.4 Å²	59.4	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-59.8	-44.7	178.4	-167.6	0	0	0	0	112.2	K693 E694 V695 V699 A700 D701	K693-S697 PolarHBondContact O-N 3.49Å; E694-S697 WeakPolarHBondContact O-CB 3.32Å; E694-S697 PolarHBondContact O-N 3.08Å; V695-S697 VanDerWaalsContact C-N 3.3Å; V695-S697 PolarHBondContact O-N 2.96Å; S697-V699 VanDerWaalsContact C-N 3.32Å; S697-V699 PolarHBondContact O-N 3.49Å; S697-A700 PolarHBondContact O-N 2.88Å; S697-D701 WeakPolarHBondContact O-CB 3.19Å; S697-D701 PolarHBondContact O-N 3.25Å
698	A	94.8	Very high	89.5	Confident	23 Å²	23	59.5 Å²	59.5	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-67.7	-31.7	-179.7	0	0	0	0	0	113	I684 V686 E694 V695 I696	I684-A698 HydrophobicContact CB-CB 4.34Å; I684-A698 HydrophobicContact CG2-CB 4.07Å; V686-A698 HydrophobicContact CG1-CB 3.9Å; E694-A698 WeakPolarHBondContact O-CB 3.49Å; E694-A698 PolarHBondContact O-N 3.19Å; V695-A698 PolarHBondContact O-N 3.33Å; I696-A698 PolarHBondContact O-N 3.47Å
699	V	94.8	Very high	89.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-75.2	-46.1	174.3	173.1	0	0	0	0	110.7	V674 I684 V695 I696 S697 D701 K702 L703 L709 A742	V674-V699 HydrophobicContact CB-CG2 3.94Å; V674-V699 HydrophobicContact CG1-CG2 4.02Å; V674-V699 HydrophobicContact CG2-CG2 3.95Å; I684-V699 HydrophobicContact CG2-CG2 3.8Å; V695-V699 HydrophobicContact CG1-CG2 4.46Å; V695-V699 WeakPolarHBondContact O-CG2 3.43Å; V695-V699 PolarHBondContact O-N 2.9Å; I696-V699 PolarHBondContact O-N 3.07Å; S697-V699 VanDerWaalsContact C-N 3.32Å; S697-V699 PolarHBondContact O-N 3.49Å; V699-D701 VanDerWaalsContact C-N 3.32Å; V699-D701 PolarHBondContact O-N 3.03Å; V699-K702 PolarHBondContact O-N 3.45Å; V699-L703 HydrophobicContact CG1-CD1 3.59Å; V699-L703 HydrophobicContact CG1-CG 4.24Å; V699-L703 WeakPolarHBondContact O-CG 3.44Å; V699-L703 PolarHBondContact O-N 3.49Å; V699-L709 HydrophobicContact CG1-CD1 4.25Å; V699-A742 HydrophobicContact CG1-CB 3.84Å
700	A	93.5	Very high	89.6	Confident	26 Å²	26	60.6 Å²	60.6	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-42.1	-179.9	0	0	0	0	0	112	I696 S697 K702 L703 G704 S705 L709	I696-A700 VanDerWaalsContact O-CB 3.29Å; I696-A700 WeakPolarHBondContact O-CB 3.5Å; I696-A700 PolarHBondContact O-N 3.2Å; S697-A700 PolarHBondContact O-N 2.88Å; A700-K702 VanDerWaalsContact C-N 3.34Å; A700-K702 PolarHBondContact O-N 3.26Å; A700-L703 PolarHBondContact O-N 3.31Å; A700-G704 WeakPolarHBondContact O-CA 3.18Å; A700-G704 PolarHBondContact O-N 2.88Å; A700-S705 PolarHBondContact O-N 3Å; A700-L709 HydrophobicContact CB-CD1 4.21Å
701	D	92.4	Very high	89.7	Confident	135 Å²	135	60.4 Å²	60.4	72%	0.722	36%	0.362	S	S	*	.	H	α-helix	trans	-57.5	-43.8	176.5	-177.4	53.4	0	0	0	112.2	S697 V699	S697-D701 WeakPolarHBondContact O-CB 3.19Å; S697-D701 PolarHBondContact O-N 3.25Å; V699-D701 VanDerWaalsContact C-N 3.32Å; V699-D701 PolarHBondContact O-N 3.03Å
702	K	92.3	Very high	89.8	Confident	119 Å²	119	59.7 Å²	59.7	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-77.2	-32.2	-179.6	-72	-168.8	176.2	-158.3	0	114.2	T682 T683 V699 A700	T682-K702 HydrophobicContact CG2-CB 3.6Å; T682-K702 HydrophobicContact CG2-CD 3.41Å; T682-K702 VanDerWaalsContact CG2-CD 3.41Å; T682-K702 HydrophobicContact CG2-CG 4.11Å; T683-K702 PolarHBondContact O-NZ 3.42Å; V699-K702 PolarHBondContact O-N 3.45Å; A700-K702 VanDerWaalsContact C-N 3.34Å; A700-K702 PolarHBondContact O-N 3.26Å
703	L	89.3	Confident	89.8	Confident	79 Å²	79	61.7 Å²	61.7	41%	0.414	37%	0.365	S	S	.	.	H	α-helix	trans	-86.1	-12.2	179.3	-68.2	180	0	0	0	112.9	T682 V699 A700 S705	T682-L703 WeakPolarHBondContact OG1-CD2 3.42Å; V699-L703 HydrophobicContact CG1-CD1 3.59Å; V699-L703 HydrophobicContact CG1-CG 4.24Å; V699-L703 WeakPolarHBondContact O-CG 3.44Å; V699-L703 PolarHBondContact O-N 3.49Å; A700-L703 PolarHBondContact O-N 3.31Å; L703-S705 PolarHBondContact O-N 3.15Å
704	G	84.3	Confident	89.8	Confident	72 Å²	72	54.6 Å²	54.6	74%	0.742	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	25.8	-171.1	0	0	0	0	0	112.8	A700	A700-G704 WeakPolarHBondContact O-CA 3.18Å; A700-G704 PolarHBondContact O-N 2.88Å
705	S	76.4	Confident	89.7	Confident	53 Å²	53	50.6 Å²	50.6	37%	0.371	32%	0.318	S	S	.	.			trans	-82.7	136.3	-172.2	-172.2	0	0	0	0	111.6	A700 L703	A700-S705 PolarHBondContact O-N 3Å; L703-S705 PolarHBondContact O-N 3.15Å
706	G	59.7	Low	89.5	Confident	61 Å²	61	50.9 Å²	50.9	63%	0.629	32%	0.32	S	S	*	.			trans	-68.2	164.5	169.2	0	0	0	0	0	113.1
707	E	68.6	Low	89.2	Confident	207 Å²	207	50.6 Å²	50.6	97%	0.967	33%	0.327	S	S	*	.	S	Bend	trans	-45.8	144.5	-172.6	-59.1	-179.7	166	0	0	114.6
708	G	84.4	Confident	89	Confident	55 Å²	55	48 Å²	48	57%	0.567	31%	0.312	S	S	*	.			trans	117.5	9.8	168.7	0	0	0	0	0	117.6
709	L	93	Very high	88.8	Confident	21 Å²	21	53.5 Å²	53.5	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	138.6	174.4	-68.6	177.6	0	0	0	112.1	I696 V699 A700	I696-L709 HydrophobicContact CG2-CB 4.09Å; V699-L709 HydrophobicContact CG1-CD1 4.25Å; A700-L709 HydrophobicContact CB-CD1 4.21Å
710	I	95.4	Very high	88.7	Confident	30 Å²	30	56 Å²	56	15%	0.154	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.9	168.3	58.6	164.3	0	0	0	110.1	V712 V722 A742 C743 R745 F748	I710-V712 HydrophobicContact CD1-CG2 3.85Å; I710-V712 HydrophobicContact CG1-CG2 4.14Å; I710-V722 HydrophobicContact CB-CG1 4.34Å; I710-V722 HydrophobicContact CD1-CG1 4.3Å; I710-V722 HydrophobicContact CD1-CG2 4.12Å; I710-A742 WeakPolarHBondContact O-CA 3.48Å; I710-C743 WeakPolarHBondContact CG1-O 3.3Å; I710-C743 PolarHBondContact N-O 2.88Å; I710-C743 PolarHBondContact O-N 2.58Å; I710-R745 HydrophobicContact CD1-CB 4.43Å; I710-R745 HydrophobicContact CD1-CG 4.43Å; I710-F748 HydrophobicContact CD1-CD2 4.16Å
711	I	97.3	Very high	88.8	Confident	1 Å²	1	58 Å²	58	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.3	172.5	-60.1	-60.8	0	0	0	109.4	V674 V692 V695 I696 L723 L740 F741 A742	V674-I711 HydrophobicContact CG1-CD1 4.34Å; V692-I711 HydrophobicContact CG1-CB 3.9Å; V692-I711 HydrophobicContact CG1-CG1 3.91Å; V695-I711 HydrophobicContact CG1-CD1 3.93Å; V695-I711 HydrophobicContact CG1-CG1 4.16Å; I696-I711 HydrophobicContact CD1-CG1 4.19Å; I696-I711 HydrophobicContact CG1-CD1 4.03Å; I696-I711 HydrophobicContact CG1-CG1 3.49Å; I696-I711 VanDerWaalsContact CG1-CG1 3.49Å; I711-L723 HydrophobicContact CG2-CD1 3.88Å; I711-L723 HydrophobicContact CG2-CG 4.44Å; I711-L723 PolarHBondContact O-N 3.11Å; I711-L740 HydrophobicContact CG2-CD1 3.5Å; I711-L740 HydrophobicContact CG2-CD2 3.78Å; I711-L740 HydrophobicContact CG2-CG 3.55Å; I711-F741 WeakPolarHBondContact CA-O 3.45Å; I711-A742 HydrophobicContact CD1-CB 3.86Å
712	V	97	Very high	88.9	Confident	0 Å²	0	55 Å²	55	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127	-176.9	-175.9	0	0	0	0	109	I710 K720 V721 V722 F741 F748 L751	I710-V712 HydrophobicContact CD1-CG2 3.85Å; I710-V712 HydrophobicContact CG1-CG2 4.14Å; V712-K720 HydrophobicContact CG1-CB 3.94Å; V712-V721 WeakPolarHBondContact CA-O 3.46Å; V712-V722 HydrophobicContact CG2-CG2 4.43Å; V712-F741 HydrophobicContact CB-CB 4.41Å; V712-F741 PolarHBondContact N-O 3.35Å; V712-F741 PolarHBondContact O-N 3.46Å; V712-F748 HydrophobicContact CG1-CD2 4.34Å; V712-F748 HydrophobicContact CG1-CE2 3.86Å; V712-F748 HydrophobicContact CG2-CD2 3.87Å; V712-F748 HydrophobicContact CG2-CE2 4.07Å; V712-L751 HydrophobicContact CB-CD1 4.09Å; V712-L751 HydrophobicContact CG1-CD1 4.11Å; V712-L751 HydrophobicContact CG2-CD1 4.12Å
713	K	95.8	Very high	89	Confident	43 Å²	43	50.1 Å²	50.1	19%	0.187	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.3	163.2	61.8	173.6	179.3	-179.7	0	108.8	K720 V721 L723 L734 L740	K713-K720 WeakPolarHBondContact O-CA 3.46Å; K713-V721 HydrophobicContact CD-CB 4.11Å; K713-V721 VanDerWaalsContact CE-CG1 3.41Å; K713-V721 HydrophobicContact CG-CB 3.68Å; K713-V721 HydrophobicContact CG-CG1 4.44Å; K713-V721 HydrophobicContact CG-CG2 4.44Å; K713-V721 WeakPolarHBondContact CG-O 3.44Å; K713-V721 PolarHBondContact N-O 3.03Å; K713-V721 PolarHBondContact O-N 3.02Å; K713-L723 HydrophobicContact CB-CD2 4.49Å; K713-L723 HydrophobicContact CD-CD2 3.95Å; K713-L723 HydrophobicContact CG-CD2 3.97Å; K713-L734 HydrophobicContact CB-CD2 3.73Å; K713-L740 HydrophobicContact CB-CD1 4.42Å
714	M	95.3	Very high	89.3	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.4	176.3	-176.4	157.7	50.9	0	0	111	E719 K720 G738 R739 F741 L751 T752 P753 Q757	M714-E719 VanDerWaalsContact CA-O 3.31Å; M714-E719 WeakPolarHBondContact CA-O 3.41Å; M714-K720 HydrophobicContact CG-CG 4.4Å; M714-K720 HydrophobicContact SD-CG 4.08Å; M714-G738 WeakPolarHBondContact O-CA 3.3Å; M714-R739 PolarHBondContact N-O 3.45Å; M714-R739 PolarHBondContact O-N 2.86Å; M714-F741 HydrophobicContact CB-CD2 4.06Å; M714-F741 HydrophobicContact CB-CE2 4.06Å; M714-F741 HydrophobicContact CE-CD1 4.32Å; M714-F741 HydrophobicContact CE-CD2 3.63Å; M714-F741 HydrophobicContact CE-CE1 3.86Å; M714-F741 HydrophobicContact CE-CE2 3.1Å; M714-F741 HydrophobicContact CE-CG 4.21Å; M714-F741 HydrophobicContact CE-CZ 3.22Å; M714-L751 HydrophobicContact CE-CB 4.29Å; M714-L751 HydrophobicContact SD-CB 4.39Å; M714-T752 WeakPolarHBondContact CE-O 3.21Å; M714-P753 HydrophobicContact CG-CG 4.46Å; M714-P753 HydrophobicContact SD-CG 4.12Å; M714-Q757 PolarHBondContact O-NE2 3.04Å; M714-Q757 VanDerWaalsContact O-NE2 3.11Å
715	S	93.8	Very high	89.7	Confident	17 Å²	17	53.5 Å²	53.5	12%	0.119	32%	0.319	C	S	.	.			trans	-80.5	170.6	174.7	75.2	0	0	0	0	111.7	G717 G718 E719	S715-G717 PolarHBondContact O-N 3.39Å; S715-G717 PolarHBondContact OG-N 3.2Å; S715-G718 PolarHBondContact O-N 2.86Å; S715-G718 VanDerWaalsContact O-N 3.15Å; S715-E719 PolarHBondContact N-O 3.22Å; S715-E719 WeakPolarHBondContact OG-CB 3.44Å; S715-E719 PolarHBondContact OG-N 2.95Å
716	S	91.9	Very high	90.5	Very high	5 Å²	5	57.1 Å²	57.1	4%	0.035	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.4	172.2	53	0	0	0	0	113.3	G718 Q757 D994 N995	S716-G718 VanDerWaalsContact C-N 3.26Å; S716-G718 PolarHBondContact O-N 2.87Å; S716-Q757 WeakPolarHBondContact CB-O 3.39Å; S716-D994 VanDerWaalsContact CB-OD1 3.23Å; S716-D994 WeakPolarHBondContact CB-OD1 3.42Å; S716-D994 PolarHBondContact OG-OD1 3.49Å; S716-N995 PolarHBondContact O-ND2 2.61Å; S716-N995 PolarHBondContact OG-N 3.33Å
717	G	89.8	Confident	92.1	Very high	34 Å²	34	56.4 Å²	56.4	35%	0.351	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.5	173.4	0	0	0	0	0	114.6	S715 E719 N995	S715-G717 PolarHBondContact O-N 3.39Å; S715-G717 PolarHBondContact OG-N 3.2Å; G717-E719 VanDerWaalsContact C-N 3.31Å; G717-N995 WeakPolarHBondContact CA-ND2 3.31Å
718	G	89.5	Confident	93.4	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	28%	0.275	C	S	.	.			trans	80.1	9.3	-174.6	0	0	0	0	0	114.6	S715 S716 K720	S715-G718 PolarHBondContact O-N 2.86Å; S715-G718 VanDerWaalsContact O-N 3.15Å; S716-G718 VanDerWaalsContact C-N 3.26Å; S716-G718 PolarHBondContact O-N 2.87Å; G718-K720 PolarHBondContact O-N 2.7Å
719	E	90.8	Very high	93.8	Very high	138 Å²	138	44.8 Å²	44.8	65%	0.645	25%	0.248	S	C	*	.			trans	-70.6	130.4	172.6	-60.4	175.8	172.1	0	0	109.7	M714 S715 G717	M714-E719 VanDerWaalsContact CA-O 3.31Å; M714-E719 WeakPolarHBondContact CA-O 3.41Å; S715-E719 PolarHBondContact N-O 3.22Å; S715-E719 WeakPolarHBondContact OG-CB 3.44Å; S715-E719 PolarHBondContact OG-N 2.95Å; G717-E719 VanDerWaalsContact C-N 3.31Å
720	K	93.2	Very high	93.9	Very high	54 Å²	54	44 Å²	44	24%	0.235	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.7	-173.6	-57.9	167.1	-165.9	-177.2	0	109.7	V712 K713 M714 G718 F748 D749 L751	V712-K720 HydrophobicContact CG1-CB 3.94Å; K713-K720 WeakPolarHBondContact O-CA 3.46Å; M714-K720 HydrophobicContact CG-CG 4.4Å; M714-K720 HydrophobicContact SD-CG 4.08Å; G718-K720 PolarHBondContact O-N 2.7Å; K720-F748 HydrophobicContact CB-CE1 4.45Å; K720-F748 HydrophobicContact CB-CE2 3.73Å; K720-F748 HydrophobicContact CB-CZ 3.54Å; K720-F748 HydrophobicContact CD-CE1 4.37Å; K720-F748 HydrophobicContact CD-CE2 4.34Å; K720-F748 HydrophobicContact CD-CZ 4.15Å; K720-F748 HydrophobicContact CG-CZ 4.5Å; K720-F748 PolarHBondContact NZ-O 3.29Å; K720-D749 VanDerWaalsContact NZ-C 3.31Å; K720-D749 PolarHBondContact NZ-O 2.93Å; K720-L751 HydrophobicContact CD-CB 4.28Å; K720-L751 WeakPolarHBondContact CE-O 3.36Å; K720-L751 PolarHBondContact NZ-O 2.88Å
721	V	93.9	Very high	93.7	Very high	69 Å²	69	42.8 Å²	42.8	42%	0.418	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	124	173.1	179.8	0	0	0	0	109.5	V712 K713	V712-V721 WeakPolarHBondContact CA-O 3.46Å; K713-V721 HydrophobicContact CD-CB 4.11Å; K713-V721 VanDerWaalsContact CE-CG1 3.41Å; K713-V721 HydrophobicContact CG-CB 3.68Å; K713-V721 HydrophobicContact CG-CG1 4.44Å; K713-V721 HydrophobicContact CG-CG2 4.44Å; K713-V721 WeakPolarHBondContact CG-O 3.44Å; K713-V721 PolarHBondContact N-O 3.03Å; K713-V721 PolarHBondContact O-N 3.02Å
722	V	95.9	Very high	93.5	Very high	70 Å²	70	43 Å²	43	42%	0.424	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.9	173.7	-174.5	0	0	0	0	109	I710 V712 F748	I710-V722 HydrophobicContact CB-CG1 4.34Å; I710-V722 HydrophobicContact CD1-CG1 4.3Å; I710-V722 HydrophobicContact CD1-CG2 4.12Å; V712-V722 HydrophobicContact CG2-CG2 4.43Å; V722-F748 HydrophobicContact CG2-CD2 3.92Å; V722-F748 HydrophobicContact CG2-CE2 3.51Å; V722-F748 HydrophobicContact CG2-CZ 4.18Å
723	L	94.3	Very high	93.3	Very high	17 Å²	17	45.3 Å²	45.3	9%	0.089	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-85.9	143.5	177.2	-57.7	-176.5	0	0	0	110.7	V692 I711 K713 V730 L740	V692-L723 HydrophobicContact CG1-CB 4.31Å; V692-L723 HydrophobicContact CG2-CB 3.82Å; V692-L723 HydrophobicContact CG2-CD1 4.2Å; I711-L723 HydrophobicContact CG2-CD1 3.88Å; I711-L723 HydrophobicContact CG2-CG 4.44Å; I711-L723 PolarHBondContact O-N 3.11Å; K713-L723 HydrophobicContact CB-CD2 4.49Å; K713-L723 HydrophobicContact CD-CD2 3.95Å; K713-L723 HydrophobicContact CG-CD2 3.97Å; L723-V730 HydrophobicContact CD1-CB 3.85Å; L723-V730 HydrophobicContact CD1-CG1 3.92Å; L723-V730 HydrophobicContact CD1-CG2 4.07Å; L723-L740 HydrophobicContact CD1-CD1 3.76Å
724	K	94.1	Very high	93.2	Very high	150 Å²	150	43.9 Å²	43.9	65%	0.652	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-77.8	146.4	179.6	-63.1	179.9	-179.6	179	0	109.6	V692 N726 D727	V692-K724 VanDerWaalsContact CB-O 3.26Å; V692-K724 WeakPolarHBondContact CB-O 3.42Å; V692-K724 WeakPolarHBondContact CG2-O 3.46Å; K724-N726 PolarHBondContact O-N 2.83Å; K724-N726 VanDerWaalsContact O-N 3.08Å; K724-D727 PolarHBondContact N-OD2 3.15Å; K724-D727 WeakPolarHBondContact O-CB 3.39Å; K724-D727 PolarHBondContact O-N 3.49Å
725	P	93.4	Very high	93	Very high	73 Å²	73	47 Å²	47	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.2	178.9	-28.2	35.5	0	0	0	114.9	K693	K693-P725 HydrophobicContact CB-CB 4.32Å; K693-P725 PolarHBondContact N-O 3.43Å; K693-P725 VanDerWaalsContact N-O 3.1Å
726	N	93.6	Very high	92.9	Very high	128 Å²	128	46.5 Å²	46.5	68%	0.684	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-4.9	179.8	-66.9	-7.7	0	0	0	113.8	K724	K724-N726 PolarHBondContact O-N 2.83Å; K724-N726 VanDerWaalsContact O-N 3.08Å
727	D	93.5	Very high	93	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	26%	0.264	S	S	.	.			trans	-66.6	138.5	174.7	-66.4	-23.9	0	0	0	109.2	S691 V692 K724 V730	S691-D727 CarbonylContact C-O 3.55Å; S691-D727 VanDerWaalsContact CA-O 3.31Å; S691-D727 WeakPolarHBondContact CA-O 3.22Å; V692-D727 HydrophobicContact CG2-CB 3.87Å; V692-D727 PolarHBondContact N-O 3.25Å; K724-D727 PolarHBondContact N-OD2 3.15Å; K724-D727 WeakPolarHBondContact O-CB 3.39Å; K724-D727 PolarHBondContact O-N 3.49Å; D727-V730 HydrophobicContact CB-CG1 3.91Å
728	V	94.6	Very high	93.3	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.109	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-120.8	152.1	-176.5	-65.2	0	0	0	0	110.8	V730 R803	V728-V730 VanDerWaalsContact C-N 3.33Å; V728-V730 PolarHBondContact O-N 3.43Å; V728-R803 HydrophobicContact CG2-CB 4.07Å
729	S	94.6	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.			trans	56.2	42.5	174.4	-172.7	0	0	0	0	114.4	V688 T690 F731 T809	V688-S729 VanDerWaalsContact O-CA 3.25Å; V688-S729 WeakPolarHBondContact O-CA 3.29Å; T690-S729 PolarHBondContact O-N 3.48Å; T690-S729 VanDerWaalsContact O-N 3.12Å; S729-F731 VanDerWaalsContact C-N 3.29Å; S729-F731 PolarHBondContact O-N 2.86Å; S729-T809 PolarHBondContact OG-OG1 3.1Å
730	V	94.1	Very high	93.8	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.03	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-72.4	-19.2	-170.5	-60.9	0	0	0	0	114.2	V692 L723 D727 V728 T732 T733 L740	V692-V730 HydrophobicContact CG2-CG1 3.66Å; V692-V730 HydrophobicContact CG2-CG2 4.31Å; L723-V730 HydrophobicContact CD1-CB 3.85Å; L723-V730 HydrophobicContact CD1-CG1 3.92Å; L723-V730 HydrophobicContact CD1-CG2 4.07Å; D727-V730 HydrophobicContact CB-CG1 3.91Å; V728-V730 VanDerWaalsContact C-N 3.33Å; V728-V730 PolarHBondContact O-N 3.43Å; V730-T732 PolarHBondContact O-N 2.94Å; V730-T733 PolarHBondContact O-N 3.31Å; V730-T733 PolarHBondContact O-OG1 3.01Å; V730-L740 HydrophobicContact CG2-CD2 4.42Å
731	F	92.3	Very high	94	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.018	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60.5	-39.9	-173.3	-47.2	-64.6	0	0	0	113.8	L648 V670 F672 I684 V686 V695 S729	L648-F731 HydrophobicContact CD1-CB 3.69Å; V670-F731 HydrophobicContact CG1-CD2 3.88Å; V670-F731 HydrophobicContact CG1-CE2 3.78Å; V670-F731 HydrophobicContact CG1-CG 4.39Å; V670-F731 HydrophobicContact CG1-CZ 4.22Å; F672-F731 HydrophobicContact CB-CD1 4.17Å; F672-F731 HydrophobicContact CB-CE1 4.23Å; F672-F731 AromaticContact CD1-CD1 3.74Å; F672-F731 HydrophobicContact CD1-CD1 3.74Å; F672-F731 HydrophobicContact CD1-CE1 4.12Å; F672-F731 HydrophobicContact CD2-CB 4Å; F672-F731 AromaticContact CD2-CD1 3.69Å; F672-F731 HydrophobicContact CD2-CD1 3.69Å; F672-F731 HydrophobicContact CD2-CG 4.09Å; F672-F731 HydrophobicContact CE1-CD1 4.05Å; F672-F731 HydrophobicContact CE2-CB 3.81Å; F672-F731 AromaticContact CE2-CD1 3.99Å; F672-F731 HydrophobicContact CE2-CD1 3.99Å; F672-F731 HydrophobicContact CE2-CG 4.3Å; F672-F731 AromaticContact CG-CD1 3.56Å; F672-F731 HydrophobicContact CG-CD1 3.56Å; F672-F731 HydrophobicContact CG-CE1 4.03Å; F672-F731 HydrophobicContact CG-CG 4.37Å; F672-F731 HydrophobicContact CZ-CB 4.4Å; F672-F731 HydrophobicContact CZ-CD1 4.16Å; I684-F731 HydrophobicContact CD1-CE1 4.46Å; V686-F731 HydrophobicContact CG2-CE1 4.48Å; V686-F731 HydrophobicContact CG2-CE2 4.09Å; V686-F731 HydrophobicContact CG2-CZ 3.58Å; V695-F731 HydrophobicContact CG2-CE1 4.08Å; V695-F731 HydrophobicContact CG2-CZ 3.75Å; S729-F731 VanDerWaalsContact C-N 3.29Å; S729-F731 PolarHBondContact O-N 2.86Å
732	T	92.4	Very high	94.1	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.031	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-85	-12.3	-178.2	49	0	0	0	0	113.2	L648 V730 L734 A811 D814 L815	L648-T732 HydrophobicContact CD1-CG2 4.49Å; L648-T732 HydrophobicContact CD2-CG2 4.27Å; V730-T732 PolarHBondContact O-N 2.94Å; T732-L734 VanDerWaalsContact C-N 3.32Å; T732-L734 PolarHBondContact O-N 3.11Å; T732-A811 HydrophobicContact CG2-CB 3.82Å; T732-D814 PolarHBondContact OG1-OD2 3.3Å; T732-L815 HydrophobicContact CG2-CD2 4.23Å; T732-L815 HydrophobicContact CG2-CG 4.17Å
733	T	93.3	Very high	94	Very high	49 Å²	49	29.9 Å²	29.9	30%	0.301	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-83.8	-4.5	-178.1	72	0	0	0	0	114.6	V730 R803	V730-T733 PolarHBondContact O-N 3.31Å; V730-T733 PolarHBondContact O-OG1 3.01Å; T733-R803 VanDerWaalsContact CG2-NH1 3.29Å
734	L	92.6	Very high	93.9	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.063	17%	0.172	C	C	.	.	S	Bend	trans	-66.1	153.4	178	-62.9	176.9	0	0	0	111.4	F672 K713 T732 L740 R818	F672-L734 HydrophobicContact CZ-CD1 3.72Å; K713-L734 HydrophobicContact CB-CD2 3.73Å; T732-L734 VanDerWaalsContact C-N 3.32Å; T732-L734 PolarHBondContact O-N 3.11Å; L734-L740 HydrophobicContact CD2-CD1 4.31Å; L734-R818 PolarHBondContact O-NH1 2.72Å
735	T	92.1	Very high	93.8	Very high	68 Å²	68	33.9 Å²	33.9	42%	0.417	18%	0.178	S	C	.	.			trans	-62.2	173.3	167.4	65.2	0	0	0	0	110.9	N737 G738 R818	T735-N737 VanDerWaalsContact C-N 3.3Å; T735-N737 PolarHBondContact O-N 3.43Å; T735-G738 PolarHBondContact O-N 3.38Å; T735-G738 VanDerWaalsContact OG1-CA 3.26Å; T735-G738 WeakPolarHBondContact OG1-CA 3.48Å; T735-G738 PolarHBondContact OG1-N 2.9Å; T735-G738 VanDerWaalsContact OG1-N 3.09Å; T735-R818 VanDerWaalsContact O-CZ 3.23Å; T735-R818 PolarHBondContact O-NH1 3.13Å; T735-R818 PolarHBondContact O-NH2 2.95Å
736	I	91.4	Very high	93.7	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.036	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-44.3	-175.1	-57.6	154.3	0	0	0	111.5	R818 N821 E822 F825 V992 D994	I736-R818 HydrophobicContact CG1-CG 4.15Å; I736-R818 PolarHBondContact O-NH2 2.94Å; I736-N821 HydrophobicContact CD1-CB 3.91Å; I736-N821 HydrophobicContact CG1-CB 4.48Å; I736-E822 HydrophobicContact CD1-CB 4.37Å; I736-E822 HydrophobicContact CG1-CB 4.49Å; I736-F825 HydrophobicContact CD1-CB 4.37Å; I736-F825 HydrophobicContact CD1-CD2 3.71Å; I736-F825 HydrophobicContact CD1-CG 4.43Å; I736-V992 HydrophobicContact CB-CG2 4.42Å; I736-V992 HydrophobicContact CD1-CG2 4.15Å; I736-V992 HydrophobicContact CG2-CG2 3.62Å; I736-D994 HydrophobicContact CB-CB 4.23Å; I736-D994 HydrophobicContact CD1-CB 4.03Å; I736-D994 PolarHBondContact N-OD2 2.6Å
737	N	94.5	Very high	93.6	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.07	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	16.9	175.2	-62.5	-39.8	0	0	0	112.6	T735 R739 Q757 V992 D994	T735-N737 VanDerWaalsContact C-N 3.3Å; T735-N737 PolarHBondContact O-N 3.43Å; N737-R739 PolarHBondContact O-NH1 3.36Å; N737-Q757 HydrophobicContact CB-CB 4.34Å; N737-Q757 WeakPolarHBondContact CB-O 3.49Å; N737-Q757 VanDerWaalsContact O-CG 3.23Å; N737-Q757 WeakPolarHBondContact O-CG 3.35Å; N737-Q757 PolarHBondContact O-NE2 3.22Å; N737-V992 PolarHBondContact ND2-O 2.94Å; N737-D994 WeakPolarHBondContact CB-OD1 3.38Å; N737-D994 PolarHBondContact N-OD2 3.22Å; N737-D994 PolarHBondContact ND2-OD1 3.18Å
738	G	94.2	Very high	93.6	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.031	18%	0.177	C	C	.	.			trans	-64.2	150.9	-179.9	0	0	0	0	0	112.7	M714 T735	M714-G738 WeakPolarHBondContact O-CA 3.3Å; T735-G738 PolarHBondContact O-N 3.38Å; T735-G738 VanDerWaalsContact OG1-CA 3.26Å; T735-G738 WeakPolarHBondContact OG1-CA 3.48Å; T735-G738 PolarHBondContact OG1-N 2.9Å; T735-G738 VanDerWaalsContact OG1-N 3.09Å
739	R	95.2	Very high	93.5	Very high	23 Å²	23	41.9 Å²	41.9	9%	0.087	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.9	176.3	-66.5	-65.8	-175.5	-77.6	-5.8	110.7	Y675 M714 N737 F741 L754 E756 Q757	Y675-R739 HydrophobicContact CD2-CB 4.47Å; Y675-R739 HydrophobicContact CE2-CG 4.5Å; M714-R739 PolarHBondContact N-O 3.45Å; M714-R739 PolarHBondContact O-N 2.86Å; N737-R739 PolarHBondContact O-NH1 3.36Å; R739-F741 HydrophobicContact CB-CD2 4.37Å; R739-F741 HydrophobicContact CB-CE2 3.72Å; R739-L754 HydrophobicContact CG-CD1 3.92Å; R739-E756 IonicContact NH2-OE2 2.76Å; R739-Q757 HydrophobicContact CG-CG 3.6Å
740	L	96.3	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.9	-179.5	-156.1	71.9	0	0	0	109.4	F672 V674 Y675 V695 I711 K713 L723 V730 L734	F672-L740 HydrophobicContact CD1-CD2 4.47Å; F672-L740 HydrophobicContact CE1-CB 3.77Å; F672-L740 HydrophobicContact CE1-CD2 4.14Å; V674-L740 HydrophobicContact CG2-CD2 4.31Å; Y675-L740 PolarHBondContact N-O 3.08Å; V695-L740 HydrophobicContact CG1-CD2 4.46Å; I711-L740 HydrophobicContact CG2-CD1 3.5Å; I711-L740 HydrophobicContact CG2-CD2 3.78Å; I711-L740 HydrophobicContact CG2-CG 3.55Å; K713-L740 HydrophobicContact CB-CD1 4.42Å; L723-L740 HydrophobicContact CD1-CD1 3.76Å; V730-L740 HydrophobicContact CG2-CD2 4.42Å; L734-L740 HydrophobicContact CD2-CD1 4.31Å
741	F	97.1	Very high	93.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.5	-178.9	-73.4	-101.9	0	0	0	110.9	Y675 I711 V712 M714 R739 L751 L754	Y675-F741 HydrophobicContact CG-CE1 4.48Å; Y675-F741 CarbonylContact O-C 3.54Å; Y675-F741 WeakPolarHBondContact O-CA 3.3Å; I711-F741 WeakPolarHBondContact CA-O 3.45Å; V712-F741 HydrophobicContact CB-CB 4.41Å; V712-F741 PolarHBondContact N-O 3.35Å; V712-F741 PolarHBondContact O-N 3.46Å; M714-F741 HydrophobicContact CB-CD2 4.06Å; M714-F741 HydrophobicContact CB-CE2 4.06Å; M714-F741 HydrophobicContact CE-CD1 4.32Å; M714-F741 HydrophobicContact CE-CD2 3.63Å; M714-F741 HydrophobicContact CE-CE1 3.86Å; M714-F741 HydrophobicContact CE-CE2 3.1Å; M714-F741 HydrophobicContact CE-CG 4.21Å; M714-F741 HydrophobicContact CE-CZ 3.22Å; R739-F741 HydrophobicContact CB-CD2 4.37Å; R739-F741 HydrophobicContact CB-CE2 3.72Å; F741-L751 HydrophobicContact CB-CD1 4.17Å; F741-L751 HydrophobicContact CD1-CD2 4.05Å; F741-L754 HydrophobicContact CE1-CD2 4.35Å; F741-L754 HydrophobicContact CZ-CD1 4.49Å; F741-L754 HydrophobicContact CZ-CD2 3.97Å; F741-L754 HydrophobicContact CZ-CG 3.97Å
742	A	96.4	Very high	93.7	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.1	166.6	0	0	0	0	0	108.8	V674 Y675 V699 I710 I711	V674-A742 HydrophobicContact CG1-CB 3.69Å; Y675-A742 PolarHBondContact O-N 3.13Å; V699-A742 HydrophobicContact CG1-CB 3.84Å; I710-A742 WeakPolarHBondContact O-CA 3.48Å; I711-A742 HydrophobicContact CD1-CB 3.86Å
743	C	94.4	Very high	93.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	160.8	174.9	69.6	0	0	0	0	110.7	I710 Q747 L751	I710-C743 WeakPolarHBondContact CG1-O 3.3Å; I710-C743 PolarHBondContact N-O 2.88Å; I710-C743 PolarHBondContact O-N 2.58Å; C743-Q747 HydrophobicContact CB-CB 4.35Å; C743-L751 HydrophobicContact CB-CD2 4.23Å
744	P	92.9	Very high	94	Very high	49 Å²	49	48.3 Å²	48.3	32%	0.318	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	152.3	161.4	-20	32.7	0	0	0	111.1	E746 Q747	P744-E746 PolarHBondContact O-N 3.01Å; P744-Q747 VanDerWaalsContact CD-OE1 3.29Å; P744-Q747 PolarHBondContact O-N 2.94Å; P744-Q747 VanDerWaalsContact O-N 3.09Å
745	R	91.8	Very high	94.1	Very high	202 Å²	202	52.6 Å²	52.6	76%	0.762	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-60.6	-32	-178.5	-168.2	169	-176.4	161.3	-0.6	113.4	I710 Q747 F748	I710-R745 HydrophobicContact CD1-CB 4.43Å; I710-R745 HydrophobicContact CD1-CG 4.43Å; R745-Q747 PolarHBondContact O-N 3.36Å; R745-F748 VanDerWaalsContact O-CB 3.31Å; R745-F748 WeakPolarHBondContact O-CB 3.38Å; R745-F748 PolarHBondContact O-N 2.86Å
746	E	91.5	Very high	94	Very high	186 Å²	186	55.1 Å²	55.1	87%	0.869	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-65.8	-24.1	178.5	-60.3	179.1	-175.2	0	0	113.2	P744	P744-E746 PolarHBondContact O-N 3.01Å
747	Q	91.1	Very high	94.1	Very high	70 Å²	70	54.8 Å²	54.8	33%	0.327	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-96.1	3	-177	-64.4	179.1	-7.8	0	0	113.1	M677 C743 P744 R745 D749 S750 L751	M677-Q747 HydrophobicContact SD-CG 4.27Å; M677-Q747 PolarHBondContact SD-OE1 3.31Å; C743-Q747 HydrophobicContact CB-CB 4.35Å; P744-Q747 VanDerWaalsContact CD-OE1 3.29Å; P744-Q747 PolarHBondContact O-N 2.94Å; P744-Q747 VanDerWaalsContact O-N 3.09Å; R745-Q747 PolarHBondContact O-N 3.36Å; Q747-D749 VanDerWaalsContact C-N 3.33Å; Q747-D749 PolarHBondContact O-N 2.94Å; Q747-S750 PolarHBondContact O-N 2.88Å; Q747-S750 VanDerWaalsContact O-N 3.16Å; Q747-L751 PolarHBondContact O-N 3.17Å
748	F	92.9	Very high	94.1	Very high	47 Å²	47	58.5 Å²	58.5	21%	0.206	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-46.1	-176.3	174.9	-98.9	0	0	0	112.7	I710 V712 K720 V722 R745 S750 L751	I710-F748 HydrophobicContact CD1-CD2 4.16Å; V712-F748 HydrophobicContact CG1-CD2 4.34Å; V712-F748 HydrophobicContact CG1-CE2 3.86Å; V712-F748 HydrophobicContact CG2-CD2 3.87Å; V712-F748 HydrophobicContact CG2-CE2 4.07Å; K720-F748 HydrophobicContact CB-CE1 4.45Å; K720-F748 HydrophobicContact CB-CE2 3.73Å; K720-F748 HydrophobicContact CB-CZ 3.54Å; K720-F748 HydrophobicContact CD-CE1 4.37Å; K720-F748 HydrophobicContact CD-CE2 4.34Å; K720-F748 HydrophobicContact CD-CZ 4.15Å; K720-F748 HydrophobicContact CG-CZ 4.5Å; K720-F748 PolarHBondContact NZ-O 3.29Å; V722-F748 HydrophobicContact CG2-CD2 3.92Å; V722-F748 HydrophobicContact CG2-CE2 3.51Å; V722-F748 HydrophobicContact CG2-CZ 4.18Å; R745-F748 VanDerWaalsContact O-CB 3.31Å; R745-F748 WeakPolarHBondContact O-CB 3.38Å; R745-F748 PolarHBondContact O-N 2.86Å; F748-S750 VanDerWaalsContact C-N 3.26Å; F748-S750 PolarHBondContact O-N 3.24Å; F748-L751 PolarHBondContact O-N 3.16Å
749	D	93.2	Very high	94	Very high	131 Å²	131	59.6 Å²	59.6	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.8	-176.9	-65.3	-42.6	0	0	0	112.5	K720 Q747	K720-D749 VanDerWaalsContact NZ-C 3.31Å; K720-D749 PolarHBondContact NZ-O 2.93Å; Q747-D749 VanDerWaalsContact C-N 3.33Å; Q747-D749 PolarHBondContact O-N 2.94Å
750	S	94.6	Very high	94.1	Very high	78 Å²	78	60 Å²	60	55%	0.545	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.2	179.6	-53.1	0	0	0	0	114.6	Q747 F748	Q747-S750 PolarHBondContact O-N 2.88Å; Q747-S750 VanDerWaalsContact O-N 3.16Å; F748-S750 VanDerWaalsContact C-N 3.26Å; F748-S750 PolarHBondContact O-N 3.24Å
751	L	94.9	Very high	94	Very high	4 Å²	4	66 Å²	66	2%	0.021	35%	0.352	C	S	.	.			trans	-60.6	138.6	176.6	-67.4	179.5	0	0	0	111.7	M677 V712 M714 K720 F741 C743 Q747 F748	M677-L751 HydrophobicContact CB-CD2 3.96Å; V712-L751 HydrophobicContact CB-CD1 4.09Å; V712-L751 HydrophobicContact CG1-CD1 4.11Å; V712-L751 HydrophobicContact CG2-CD1 4.12Å; M714-L751 HydrophobicContact CE-CB 4.29Å; M714-L751 HydrophobicContact SD-CB 4.39Å; K720-L751 HydrophobicContact CD-CB 4.28Å; K720-L751 WeakPolarHBondContact CE-O 3.36Å; K720-L751 PolarHBondContact NZ-O 2.88Å; F741-L751 HydrophobicContact CB-CD1 4.17Å; F741-L751 HydrophobicContact CD1-CD2 4.05Å; C743-L751 HydrophobicContact CB-CD2 4.23Å; Q747-L751 PolarHBondContact O-N 3.17Å; F748-L751 PolarHBondContact O-N 3.16Å
752	T	96.1	Very high	93.8	Very high	70 Å²	70	71.3 Å²	71.3	43%	0.429	39%	0.385	S	S	.	.			trans	-132.4	146.2	179	56.2	0	0	0	0	111.6	H679 M714	H679-T752 PolarHBondContact NE2-O 3.45Å; H679-T752 PolarHBondContact NE2-OG1 3Å; M714-T752 WeakPolarHBondContact CE-O 3.21Å
753	P	95.5	Very high	93.6	Very high	38 Å²	38	72.2 Å²	72.2	25%	0.247	40%	0.395	C	S	.	.			trans	-56.9	150.1	175.8	-26.2	36.1	0	0	0	113.2	H679 M714	H679-P753 PolarHBondContact CE1-O 2.9Å; M714-P753 HydrophobicContact CG-CG 4.46Å; M714-P753 HydrophobicContact SD-CG 4.12Å
754	L	95.1	Very high	93.5	Very high	8 Å²	8	74.5 Å²	74.5	4%	0.042	41%	0.409	C	S	.	.			trans	-78.4	150.8	172.7	-49.4	171.7	0	0	0	110.6	Y675 H679 R739 F741 E756 Q757	Y675-L754 HydrophobicContact CD1-CD1 3.52Å; Y675-L754 HydrophobicContact CD1-CD2 4Å; Y675-L754 HydrophobicContact CD1-CG 4.39Å; Y675-L754 HydrophobicContact CD2-CD1 4.14Å; Y675-L754 HydrophobicContact CE1-CD1 3.27Å; Y675-L754 HydrophobicContact CE1-CD2 4.36Å; Y675-L754 HydrophobicContact CE1-CG 4.46Å; Y675-L754 HydrophobicContact CE2-CD1 3.95Å; Y675-L754 HydrophobicContact CG-CD1 3.94Å; Y675-L754 VanDerWaalsContact CZ-CD1 3.49Å; H679-L754 HydrophobicContact CB-CD2 3.61Å; R739-L754 HydrophobicContact CG-CD1 3.92Å; F741-L754 HydrophobicContact CE1-CD2 4.35Å; F741-L754 HydrophobicContact CZ-CD1 4.49Å; F741-L754 HydrophobicContact CZ-CD2 3.97Å; F741-L754 HydrophobicContact CZ-CG 3.97Å; L754-E756 PolarHBondContact O-N 3.08Å; L754-E756 VanDerWaalsContact O-N 3.15Å; L754-Q757 HydrophobicContact CB-CG 4.1Å; L754-Q757 WeakPolarHBondContact O-CB 3.39Å; L754-Q757 PolarHBondContact O-N 3.41Å
755	P	94.4	Very high	93.4	Very high	102 Å²	102	73 Å²	73	66%	0.662	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-55.2	-33.6	173.5	-26.9	35.1	0	0	0	113.9	Q757 E758	P755-Q757 PolarHBondContact O-N 2.98Å; P755-E758 WeakPolarHBondContact O-CB 3.4Å; P755-E758 PolarHBondContact O-N 3.43Å
756	E	90.6	Very high	93.1	Very high	120 Å²	120	66 Å²	66	56%	0.561	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-65.2	-18.7	176.5	-61.6	175.8	-172.6	0	0	113.6	R739 L754	R739-E756 IonicContact NH2-OE2 2.76Å; L754-E756 PolarHBondContact O-N 3.08Å; L754-E756 VanDerWaalsContact O-N 3.15Å
757	Q	93.8	Very high	93.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-81.8	-17.6	179.4	-58.1	-174.3	-106.1	0	0	112.8	M714 S716 N737 R739 L754 P755 G759	M714-Q757 PolarHBondContact O-NE2 3.04Å; M714-Q757 VanDerWaalsContact O-NE2 3.11Å; S716-Q757 WeakPolarHBondContact CB-O 3.39Å; N737-Q757 HydrophobicContact CB-CB 4.34Å; N737-Q757 WeakPolarHBondContact CB-O 3.49Å; N737-Q757 VanDerWaalsContact O-CG 3.23Å; N737-Q757 WeakPolarHBondContact O-CG 3.35Å; N737-Q757 PolarHBondContact O-NE2 3.22Å; R739-Q757 HydrophobicContact CG-CG 3.6Å; L754-Q757 HydrophobicContact CB-CG 4.1Å; L754-Q757 WeakPolarHBondContact O-CB 3.39Å; L754-Q757 PolarHBondContact O-N 3.41Å; P755-Q757 PolarHBondContact O-N 2.98Å; Q757-G759 PolarHBondContact O-N 2.86Å
758	E	93.4	Very high	93.1	Very high	92 Å²	92	57.4 Å²	57.4	43%	0.43	36%	0.355	S	S	.	.	S	Bend	trans	-66.7	-21.1	-179.5	-68.2	-77.3	157.7	0	0	112.6	P755	P755-E758 WeakPolarHBondContact O-CB 3.4Å; P755-E758 PolarHBondContact O-N 3.43Å
759	G	93.9	Very high	93	Very high	25 Å²	25	58.7 Å²	58.7	26%	0.258	36%	0.361	S	S	.	.			trans	83.2	-169.3	-177.9	0	0	0	0	0	113.4	Q757	Q757-G759 PolarHBondContact O-N 2.86Å
760	P	96.2	Very high	92.9	Very high	31 Å²	31	59.7 Å²	59.7	20%	0.201	37%	0.366	C	S	.	.			trans	-71.5	145.1	-177.4	29.8	-36.1	0	0	0	112.6	T829 L833 I993	P760-T829 HydrophobicContact CG-CG2 3.87Å; P760-L833 HydrophobicContact CG-CD1 4.31Å; P760-I993 HydrophobicContact CG-CG1 4.18Å; P760-I993 WeakPolarHBondContact O-CD1 3.4Å
761	T	94.3	Very high	92.8	Very high	126 Å²	126	57 Å²	57	77%	0.773	35%	0.345	S	S	*	.	S	Bend	trans	-98.3	-12.8	174.4	54	0	0	0	0	113.6
762	V	93.8	Very high	92.8	Very high	112 Å²	112	59.2 Å²	59.2	68%	0.679	36%	0.361	S	S	*	.	S	Bend	trans	-129	133.4	179.2	-174.9	0	0	0	0	108.9
763	G	90.9	Very high	92.9	Very high	24 Å²	24	56.7 Å²	56.7	25%	0.247	35%	0.346	C	S	.	.			trans	-71.1	161.3	178.7	0	0	0	0	0	113
764	T	93.6	Very high	92.8	Very high	49 Å²	49	58.5 Å²	58.5	30%	0.301	35%	0.35	S	S	.	.			trans	-106.7	13.1	-177.4	64.5	0	0	0	0	113.6	G766 T767 F768 E830 Y986	T764-G766 PolarHBondContact O-N 2.92Å; T764-G766 VanDerWaalsContact O-N 3.1Å; T764-T767 WeakPolarHBondContact O-CB 3.07Å; T764-T767 PolarHBondContact O-N 3.36Å; T764-F768 WeakPolarHBondContact O-CD1 3.29Å; T764-F768 PolarHBondContact O-N 3.31Å; T764-E830 PolarHBondContact N-OE1 3.02Å; T764-E830 VanDerWaalsContact N-OE1 3.08Å; T764-E830 PolarHBondContact N-OE2 3.39Å; T764-E830 VanDerWaalsContact OG1-CD 3.28Å; T764-E830 PolarHBondContact OG1-OE1 3.28Å; T764-Y986 PolarHBondContact OG1-OH 3.38Å; T764-Y986 VanDerWaalsContact OG1-OH 3.07Å
765	V	89.4	Confident	92.7	Very high	17 Å²	17	59.5 Å²	59.5	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-42.2	-48.2	178.4	-175.4	0	0	0	0	113	T767 F768 E769 E830 L843	V765-T767 PolarHBondContact O-N 3.34Å; V765-F768 HydrophobicContact CB-CE1 4.49Å; V765-F768 HydrophobicContact CG2-CE1 4.42Å; V765-F768 PolarHBondContact O-N 3.37Å; V765-E769 HydrophobicContact CG1-CB 4.33Å; V765-E769 WeakPolarHBondContact O-CB 3.49Å; V765-E769 PolarHBondContact O-N 3.04Å; V765-E830 WeakPolarHBondContact CG2-OE2 3.45Å; V765-E830 PolarHBondContact N-OE2 3.35Å; V765-L843 HydrophobicContact CG1-CD2 3.99Å; V765-L843 HydrophobicContact CG1-CG 4.47Å; V765-L843 HydrophobicContact CG2-CD1 3.81Å; V765-L843 HydrophobicContact CG2-CD2 4.08Å; V765-L843 HydrophobicContact CG2-CG 4.39Å
766	G	86.5	Confident	92.8	Very high	56 Å²	56	54.7 Å²	54.7	58%	0.577	32%	0.324	S	S	*	.	H	α-helix	trans	-60.1	-20.8	-178.2	0	0	0	0	0	114.9	T764	T764-G766 PolarHBondContact O-N 2.92Å; T764-G766 VanDerWaalsContact O-N 3.1Å
767	T	90.6	Very high	93.1	Very high	76 Å²	76	49 Å²	49	47%	0.466	30%	0.297	S	S	.	.	H	α-helix	trans	-87.1	-60.1	177.6	-54.1	0	0	0	0	111.2	T764 V765 L770 M771 Y986	T764-T767 WeakPolarHBondContact O-CB 3.07Å; T764-T767 PolarHBondContact O-N 3.36Å; V765-T767 PolarHBondContact O-N 3.34Å; T767-L770 PolarHBondContact O-N 3.46Å; T767-M771 HydrophobicContact CG2-CE 3.97Å; T767-Y986 HydrophobicContact CG2-CD2 4.32Å
768	F	91.6	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-82.5	-14.6	-172.6	81.6	-85.6	0	0	0	113.6	T764 V765 L770 M771 L776 W826 E830 L843 K846 F847 Y986	T764-F768 WeakPolarHBondContact O-CD1 3.29Å; T764-F768 PolarHBondContact O-N 3.31Å; V765-F768 HydrophobicContact CB-CE1 4.49Å; V765-F768 HydrophobicContact CG2-CE1 4.42Å; V765-F768 PolarHBondContact O-N 3.37Å; F768-L770 PolarHBondContact O-N 3.34Å; F768-M771 HydrophobicContact CB-SD 4.1Å; F768-M771 WeakPolarHBondContact O-CB 3.41Å; F768-M771 PolarHBondContact O-N 3.49Å; F768-M771 VanDerWaalsContact O-N 3.08Å; F768-L776 HydrophobicContact CB-CD1 4.42Å; F768-L776 HydrophobicContact CB-CD2 4.49Å; F768-L776 HydrophobicContact CD2-CD1 4.01Å; F768-W826 HydrophobicContact CD2-CZ2 4.14Å; F768-W826 HydrophobicContact CE2-CZ2 4.09Å; F768-W826 HydrophobicContact CZ-CZ2 4.41Å; F768-E830 HydrophobicContact CE1-CB 4.45Å; F768-E830 HydrophobicContact CE1-CG 3.91Å; F768-E830 HydrophobicContact CZ-CB 4.4Å; F768-E830 HydrophobicContact CZ-CG 4.2Å; F768-L843 HydrophobicContact CE1-CD2 4.36Å; F768-L843 HydrophobicContact CE2-CD2 4.14Å; F768-L843 HydrophobicContact CZ-CD2 3.52Å; F768-K846 HydrophobicContact CD2-CD 4.15Å; F768-K846 HydrophobicContact CE2-CD 3.94Å; F768-K846 WeakPolarHBondContact O-CE 3.31Å; F768-K846 PolarHBondContact O-NZ 2.88Å; F768-F847 HydrophobicContact CE2-CE1 4.37Å; F768-F847 HydrophobicContact CE2-CZ 4.22Å; F768-F847 AromaticContact CZ-CZ 3.97Å; F768-F847 HydrophobicContact CZ-CZ 3.97Å; F768-Y986 HydrophobicContact CB-CD1 4.14Å; F768-Y986 HydrophobicContact CB-CE1 3.57Å; F768-Y986 HydrophobicContact CB-CE2 4.17Å; F768-Y986 HydrophobicContact CD1-CE1 4.43Å; F768-Y986 HydrophobicContact CD1-CE2 4.42Å; F768-Y986 AromaticContact CD1-CZ 3.77Å; F768-Y986 WeakPolarHBondContact CD1-OH 3.26Å; F768-Y986 HydrophobicContact CG-CE1 4.06Å; F768-Y986 AromaticContact CG-CZ 3.85Å; F768-Y986 WeakPolarHBondContact CG-OH 3.2Å
769	E	90.6	Very high	93.2	Very high	74 Å²	74	47.2 Å²	47.2	35%	0.346	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.3	170.1	-179.1	174.6	-162.4	0	0	111.4	V765 M771 K846	V765-E769 HydrophobicContact CG1-CB 4.33Å; V765-E769 WeakPolarHBondContact O-CB 3.49Å; V765-E769 PolarHBondContact O-N 3.04Å; E769-M771 VanDerWaalsContact C-N 3.28Å; E769-M771 PolarHBondContact O-N 3.24Å; E769-K846 PolarHBondContact O-NZ 3.09Å
770	L	90.7	Very high	93.3	Very high	151 Å²	151	46.2 Å²	46.2	79%	0.791	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.8	178.8	-57.8	175.5	0	0	0	113.4	T767 F768	T767-L770 PolarHBondContact O-N 3.46Å; F768-L770 PolarHBondContact O-N 3.34Å
771	M	93.9	Very high	93.4	Very high	23 Å²	23	44.7 Å²	44.7	11%	0.113	27%	0.266	C	S	.	.	S	Bend	trans	-84.7	140.5	178.6	-56.9	174.6	179	0	0	110.1	T767 F768 E769 L776 K846 V983 Y986	T767-M771 HydrophobicContact CG2-CE 3.97Å; F768-M771 HydrophobicContact CB-SD 4.1Å; F768-M771 WeakPolarHBondContact O-CB 3.41Å; F768-M771 PolarHBondContact O-N 3.49Å; F768-M771 VanDerWaalsContact O-N 3.08Å; E769-M771 VanDerWaalsContact C-N 3.28Å; E769-M771 PolarHBondContact O-N 3.24Å; M771-L776 HydrophobicContact CB-CD1 4.12Å; M771-L776 HydrophobicContact CB-CD2 4.27Å; M771-L776 HydrophobicContact CB-CG 3.98Å; M771-L776 HydrophobicContact SD-CD2 3.86Å; M771-K846 PolarHBondContact O-NZ 3.08Å; M771-V983 HydrophobicContact CB-CG2 4.28Å; M771-V983 HydrophobicContact CE-CG2 4.41Å; M771-V983 HydrophobicContact CG-CG2 3.93Å; M771-V983 HydrophobicContact SD-CB 4.2Å; M771-V983 HydrophobicContact SD-CG1 4.14Å; M771-V983 HydrophobicContact SD-CG2 3.89Å; M771-Y986 HydrophobicContact CE-CG 4.33Å; M771-Y986 HydrophobicContact SD-CD1 4.29Å; M771-Y986 HydrophobicContact SD-CG 4.37Å
772	S	94.5	Very high	93.4	Very high	50 Å²	50	40.7 Å²	40.7	35%	0.35	24%	0.24	S	C	.	.			trans	-68.1	147.3	178.2	89.6	0	0	0	0	111	K774 D775 L776	S772-K774 PolarHBondContact O-N 2.9Å; S772-D775 WeakPolarHBondContact CB-OD2 3.49Å; S772-D775 PolarHBondContact O-N 3.05Å; S772-D775 WeakPolarHBondContact OG-CB 3.38Å; S772-D775 PolarHBondContact OG-N 3.42Å; S772-D775 PolarHBondContact OG-OD2 3.31Å; S772-L776 PolarHBondContact O-N 2.84Å; S772-L776 VanDerWaalsContact O-N 3.1Å
773	S	96.8	Very high	93.4	Very high	17 Å²	17	35.9 Å²	35.9	12%	0.119	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-31.6	176.7	-63.4	0	0	0	0	112.3	A777	S773-A777 WeakPolarHBondContact O-CB 3.47Å; S773-A777 PolarHBondContact O-N 3.02Å; S773-A777 VanDerWaalsContact O-N 3.13Å
774	K	94.8	Very high	93.8	Very high	75 Å²	75	34.8 Å²	34.8	33%	0.326	20%	0.198	S	C	.	.	H	α-helix	trans	-70.7	-44.5	177.6	-172.6	173.6	180	174.1	0	111.5	S772 A777 Y778 Y857	S772-K774 PolarHBondContact O-N 2.9Å; K774-A777 PolarHBondContact O-N 3.4Å; K774-Y778 VanDerWaalsContact O-CB 3.24Å; K774-Y778 WeakPolarHBondContact O-CB 3.38Å; K774-Y778 PolarHBondContact O-N 3.16Å; K774-Y857 WeakPolarHBondContact CE-OH 3.46Å; K774-Y857 VanDerWaalsContact CG-OH 3.29Å; K774-Y857 WeakPolarHBondContact CG-OH 3.19Å
775	D	93.2	Very high	94	Very high	30 Å²	30	33 Å²	33	16%	0.16	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-41.1	178.8	-64.7	-44	0	0	0	111.9	S772 Y778 Q779 H980 V983	S772-D775 WeakPolarHBondContact CB-OD2 3.49Å; S772-D775 PolarHBondContact O-N 3.05Å; S772-D775 WeakPolarHBondContact OG-CB 3.38Å; S772-D775 PolarHBondContact OG-N 3.42Å; S772-D775 PolarHBondContact OG-OD2 3.31Å; D775-Y778 PolarHBondContact O-N 3.1Å; D775-Q779 WeakPolarHBondContact O-CB 3.44Å; D775-Q779 WeakPolarHBondContact O-CG 3.3Å; D775-Q779 PolarHBondContact O-N 3.46Å; D775-H980 IonicContact OD1-CE1 3.99Å; D775-V983 HydrophobicContact CB-CG1 4.32Å; D775-V983 HydrophobicContact CB-CG2 4.49Å
776	L	96.3	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-52.4	173.7	-75.6	167.4	0	0	0	110.8	F768 M771 S772 Y778 Q779 M780 I850 V983 Y986 V987	F768-L776 HydrophobicContact CB-CD1 4.42Å; F768-L776 HydrophobicContact CB-CD2 4.49Å; F768-L776 HydrophobicContact CD2-CD1 4.01Å; M771-L776 HydrophobicContact CB-CD1 4.12Å; M771-L776 HydrophobicContact CB-CD2 4.27Å; M771-L776 HydrophobicContact CB-CG 3.98Å; M771-L776 HydrophobicContact SD-CD2 3.86Å; S772-L776 PolarHBondContact O-N 2.84Å; S772-L776 VanDerWaalsContact O-N 3.1Å; L776-Y778 VanDerWaalsContact C-N 3.31Å; L776-Y778 PolarHBondContact O-N 2.94Å; L776-Q779 PolarHBondContact O-N 3.27Å; L776-M780 WeakPolarHBondContact O-CB 3.35Å; L776-M780 WeakPolarHBondContact O-CG 3.36Å; L776-M780 PolarHBondContact O-N 2.72Å; L776-I850 HydrophobicContact CB-CD1 4.37Å; L776-I850 HydrophobicContact CB-CG1 4.38Å; L776-I850 HydrophobicContact CD1-CD1 3.75Å; L776-I850 HydrophobicContact CD1-CG1 4.37Å; L776-V983 HydrophobicContact CD2-CG1 3.99Å; L776-V983 HydrophobicContact CG-CG1 4.4Å; L776-Y986 HydrophobicContact CD2-CD1 4.02Å; L776-Y986 HydrophobicContact CD2-CE1 4.24Å; L776-V987 HydrophobicContact CD2-CG2 3.91Å
777	A	97.2	Very high	94.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-38.6	179.7	0	0	0	0	0	112.7	S773 K774 T781 I850 H853 Y857	S773-A777 WeakPolarHBondContact O-CB 3.47Å; S773-A777 PolarHBondContact O-N 3.02Å; S773-A777 VanDerWaalsContact O-N 3.13Å; K774-A777 PolarHBondContact O-N 3.4Å; A777-T781 WeakPolarHBondContact O-CB 3.26Å; A777-T781 PolarHBondContact O-N 2.83Å; A777-T781 PolarHBondContact O-OG1 3.44Å; A777-I850 HydrophobicContact CB-CG2 4.19Å; A777-H853 HydrophobicContact CB-CB 3.48Å; A777-H853 VanDerWaalsContact CB-CB 3.48Å; A777-Y857 HydrophobicContact CB-CD2 4.29Å; A777-Y857 HydrophobicContact CB-CE2 4.19Å
778	Y	94.7	Very high	95.1	Very high	43 Å²	43	27.6 Å²	27.6	17%	0.169	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-50.9	176.7	177.9	-90	0	0	0	111.8	K774 D775 L776 M780 T781 I782 Y857 P971	K774-Y778 VanDerWaalsContact O-CB 3.24Å; K774-Y778 WeakPolarHBondContact O-CB 3.38Å; K774-Y778 PolarHBondContact O-N 3.16Å; D775-Y778 PolarHBondContact O-N 3.1Å; L776-Y778 VanDerWaalsContact C-N 3.31Å; L776-Y778 PolarHBondContact O-N 2.94Å; Y778-M780 VanDerWaalsContact C-N 3.31Å; Y778-M780 PolarHBondContact O-N 2.86Å; Y778-T781 PolarHBondContact O-N 3.04Å; Y778-T781 VanDerWaalsContact O-N 3.13Å; Y778-I782 HydrophobicContact CD1-CD1 3.84Å; Y778-I782 HydrophobicContact CD1-CG1 4.45Å; Y778-I782 HydrophobicContact CE1-CD1 3.16Å; Y778-I782 HydrophobicContact CE1-CG1 4.13Å; Y778-I782 PolarHBondContact O-N 3.16Å; Y778-Y857 HydrophobicContact CD2-CE1 4.38Å; Y778-P971 HydrophobicContact CD2-CG 3.95Å; Y778-P971 HydrophobicContact CE2-CB 4.17Å; Y778-P971 HydrophobicContact CE2-CG 3.34Å
779	Q	93.9	Very high	95.3	Very high	13 Å²	13	31.7 Å²	31.7	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-34.8	179.1	-70.6	-60.7	-41.7	0	0	112.1	D775 L776 Y783 V983 V987	D775-Q779 WeakPolarHBondContact O-CB 3.44Å; D775-Q779 WeakPolarHBondContact O-CG 3.3Å; D775-Q779 PolarHBondContact O-N 3.46Å; L776-Q779 PolarHBondContact O-N 3.27Å; Q779-Y783 WeakPolarHBondContact O-CB 3.24Å; Q779-Y783 PolarHBondContact O-N 3.48Å; Q779-Y783 VanDerWaalsContact O-N 3.1Å; Q779-V983 HydrophobicContact CB-CG1 4.13Å; Q779-V983 HydrophobicContact CG-CB 4.2Å; Q779-V983 HydrophobicContact CG-CG1 3.8Å; Q779-V987 HydrophobicContact CB-CB 4.4Å; Q779-V987 HydrophobicContact CB-CG1 4.48Å; Q779-V987 HydrophobicContact CB-CG2 4.16Å
780	M	96.6	Very high	95.6	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-49.2	170.3	-73.5	174	75.1	0	0	110.1	L776 Y778 I782 Y783 D784 I823 W826 I850 I866 V987	L776-M780 WeakPolarHBondContact O-CB 3.35Å; L776-M780 WeakPolarHBondContact O-CG 3.36Å; L776-M780 PolarHBondContact O-N 2.72Å; Y778-M780 VanDerWaalsContact C-N 3.31Å; Y778-M780 PolarHBondContact O-N 2.86Å; M780-I782 PolarHBondContact O-N 3.22Å; M780-Y783 PolarHBondContact O-N 3.42Å; M780-Y783 VanDerWaalsContact O-N 3.15Å; M780-D784 WeakPolarHBondContact O-CB 3.47Å; M780-D784 PolarHBondContact O-N 2.99Å; M780-D784 VanDerWaalsContact O-OD2 3.08Å; M780-I823 HydrophobicContact CE-CB 4.45Å; M780-I823 HydrophobicContact CE-CD1 3.68Å; M780-I823 HydrophobicContact CE-CG1 3.9Å; M780-I823 HydrophobicContact CE-CG2 3.68Å; M780-W826 HydrophobicContact CE-CZ3 4.22Å; M780-W826 HydrophobicContact SD-CZ3 4.16Å; M780-I850 HydrophobicContact SD-CG2 4Å; M780-I866 HydrophobicContact CE-CD1 4.25Å; M780-V987 HydrophobicContact CB-CG1 4.17Å; M780-V987 HydrophobicContact CG-CB 4.47Å; M780-V987 HydrophobicContact CG-CG1 3.51Å; M780-V987 HydrophobicContact CG-CG2 4.07Å
781	T	97.1	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-40.1	-177.8	-55.9	0	0	0	0	112.9	A777 Y778 D784 W785 N859 F969	A777-T781 WeakPolarHBondContact O-CB 3.26Å; A777-T781 PolarHBondContact O-N 2.83Å; A777-T781 PolarHBondContact O-OG1 3.44Å; Y778-T781 PolarHBondContact O-N 3.04Å; Y778-T781 VanDerWaalsContact O-N 3.13Å; T781-D784 PolarHBondContact O-N 3.33Å; T781-W785 WeakPolarHBondContact O-CB 3.48Å; T781-W785 PolarHBondContact O-N 2.87Å; T781-N859 WeakPolarHBondContact CA-ND2 3.48Å; T781-N859 HydrophobicContact CG2-CB 3.78Å; T781-N859 PolarHBondContact OG1-ND2 3.19Å; T781-N859 VanDerWaalsContact OG1-ND2 3.11Å; T781-F969 HydrophobicContact CG2-CD1 4.37Å; T781-F969 HydrophobicContact CG2-CD2 4.49Å; T781-F969 HydrophobicContact CG2-CE1 3.72Å; T781-F969 HydrophobicContact CG2-CE2 3.86Å; T781-F969 HydrophobicContact CG2-CZ 3.42Å; T781-F969 VanDerWaalsContact CG2-CZ 3.42Å
782	I	94.3	Very high	96.1	Very high	42 Å²	42	22.9 Å²	22.9	22%	0.215	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-47.5	172.7	-70.6	-177.7	0	0	0	111	Y778 M780 D784 W785 E786 F969	Y778-I782 HydrophobicContact CD1-CD1 3.84Å; Y778-I782 HydrophobicContact CD1-CG1 4.45Å; Y778-I782 HydrophobicContact CE1-CD1 3.16Å; Y778-I782 HydrophobicContact CE1-CG1 4.13Å; Y778-I782 PolarHBondContact O-N 3.16Å; M780-I782 PolarHBondContact O-N 3.22Å; I782-D784 VanDerWaalsContact C-N 3.34Å; I782-D784 PolarHBondContact O-N 3.28Å; I782-W785 PolarHBondContact O-N 2.91Å; I782-E786 WeakPolarHBondContact O-CG 3.49Å; I782-E786 PolarHBondContact O-N 3.45Å; I782-F969 HydrophobicContact CG1-CE1 4.2Å
783	Y	95.3	Very high	96.3	Very high	11 Å²	11	21.1 Å²	21.1	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-39.7	-178.6	-177.7	-130.1	0	0	0	112.1	R661 Q779 M780 E786 L787 R988	R661-Y783 HydrophobicContact CG-CE2 3.98Å; R661-Y783 PolarHBondContact NE-OH 3.43Å; R661-Y783 PolarHBondContact NH2-OH 3.31Å; Q779-Y783 WeakPolarHBondContact O-CB 3.24Å; Q779-Y783 PolarHBondContact O-N 3.48Å; Q779-Y783 VanDerWaalsContact O-N 3.1Å; M780-Y783 PolarHBondContact O-N 3.42Å; M780-Y783 VanDerWaalsContact O-N 3.15Å; Y783-E786 WeakPolarHBondContact O-CB 3.29Å; Y783-E786 PolarHBondContact O-N 3.06Å; Y783-L787 HydrophobicContact CD1-CD1 4.23Å; Y783-L787 HydrophobicContact CE1-CD1 3.84Å; Y783-L787 HydrophobicContact CE2-CD1 4.26Å; Y783-L787 HydrophobicContact CE2-CG 4.26Å; Y783-L787 PolarHBondContact O-N 2.71Å; Y783-L787 VanDerWaalsContact O-N 3.09Å; Y783-R988 HydrophobicContact CD1-CG 4.15Å; Y783-R988 HydrophobicContact CD2-CG 3.79Å; Y783-R988 HydrophobicContact CE1-CG 4.42Å; Y783-R988 HydrophobicContact CE2-CG 4.08Å; Y783-R988 HydrophobicContact CG-CG 3.82Å
784	D	98	Very high	96.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.5	-37.1	176.4	-60.3	-28.3	0	0	0	111.3	M780 T781 I782 L787 F788 F816 R819 N859 S862 I921	M780-D784 WeakPolarHBondContact O-CB 3.47Å; M780-D784 PolarHBondContact O-N 2.99Å; M780-D784 VanDerWaalsContact O-OD2 3.08Å; T781-D784 PolarHBondContact O-N 3.33Å; I782-D784 VanDerWaalsContact C-N 3.34Å; I782-D784 PolarHBondContact O-N 3.28Å; D784-L787 PolarHBondContact O-N 3.42Å; D784-F788 WeakPolarHBondContact O-CB 3.47Å; D784-F788 PolarHBondContact O-N 3.15Å; D784-F816 HydrophobicContact CB-CE2 4.22Å; D784-R819 WeakPolarHBondContact OD1-CG 3.2Å; D784-R819 IonicContact OD1-CZ 3.62Å; D784-R819 IonicContact OD1-NE 3.7Å; D784-R819 PolarHBondContact OD1-NE 3.3Å; D784-R819 VanDerWaalsContact OD1-NE 3.12Å; D784-R819 IonicContact OD1-NH2 2.75Å; D784-N859 PolarHBondContact OD2-ND2 3.48Å; D784-S862 WeakPolarHBondContact OD2-CB 3.37Å; D784-S862 PolarHBondContact OD2-OG 3.39Å; D784-I921 HydrophobicContact CB-CD1 3.72Å
785	W	97.3	Very high	96.5	Very high	13 Å²	13	17.1 Å²	17.1	5%	0.049	8%	0.084	C	C	.	.	H	α-helix	trans	-62.8	-40.3	172.3	-93.6	109	0	0	0	112.9	T781 I782 F788 N789 P919 I921 R965 F969	T781-W785 WeakPolarHBondContact O-CB 3.48Å; T781-W785 PolarHBondContact O-N 2.87Å; I782-W785 PolarHBondContact O-N 2.91Å; W785-F788 HydrophobicContact CE3-CD1 4.16Å; W785-F788 HydrophobicContact CZ3-CD1 4.01Å; W785-F788 HydrophobicContact CZ3-CE1 4.38Å; W785-F788 PolarHBondContact O-N 3.33Å; W785-N789 VanDerWaalsContact O-CB 3.29Å; W785-N789 WeakPolarHBondContact O-CB 3.43Å; W785-N789 VanDerWaalsContact O-CG 3.27Å; W785-N789 PolarHBondContact O-N 2.75Å; W785-N789 PolarHBondContact O-ND2 3.04Å; W785-P919 HydrophobicContact CH2-CB 3.82Å; W785-P919 HydrophobicContact CZ2-CB 3.5Å; W785-P919 VanDerWaalsContact CZ2-CB 3.5Å; W785-I921 HydrophobicContact CD2-CD1 4.14Å; W785-I921 HydrophobicContact CD2-CG1 4.1Å; W785-I921 HydrophobicContact CG-CD1 3.9Å; W785-I921 HydrophobicContact CG-CG1 4.38Å; W785-I921 HydrophobicContact CZ2-CG1 3.96Å; W785-R965 HydrophobicContact CH2-CB 4.2Å; W785-R965 HydrophobicContact CZ3-CB 3.74Å; W785-F969 AromaticContact CD1-CD1 3.6Å; W785-F969 AromaticContact CD1-CD2 3.97Å; W785-F969 AromaticContact CD1-CG 3.43Å; W785-F969 VanDerWaalsContact CD1-CG 3.43Å; W785-F969 HydrophobicContact CD2-CB 3.91Å; W785-F969 HydrophobicContact CG-CB 3.93Å; W785-F969 HydrophobicContact CG-CD1 4.43Å; W785-F969 HydrophobicContact CG-CG 4.26Å; W785-F969 HydrophobicContact CZ2-CB 4.24Å; W785-F969 AromaticContact NE1-CD1 3.95Å; W785-F969 AromaticContact NE1-CD2 3.44Å; W785-F969 AromaticContact NE1-CG 3.3Å; W785-F969 VanDerWaalsContact NE1-CG 3.3Å
786	E	95.2	Very high	96.7	Very high	22 Å²	22	15.7 Å²	15.7	10%	0.103	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-47.2	175.1	-71.3	176.7	-162.1	0	0	111.2	K660 R661 I782 Y783 C790 R988	K660-E786 WeakPolarHBondContact CA-OE2 3.41Å; K660-E786 HydrophobicContact CG-CG 4.17Å; R661-E786 HydrophobicContact CB-CB 4.11Å; R661-E786 HydrophobicContact CG-CB 4.35Å; R661-E786 PolarHBondContact N-OE2 3.46Å; I782-E786 WeakPolarHBondContact O-CG 3.49Å; I782-E786 PolarHBondContact O-N 3.45Å; Y783-E786 WeakPolarHBondContact O-CB 3.29Å; Y783-E786 PolarHBondContact O-N 3.06Å; E786-C790 PolarHBondContact O-N 3.23Å; E786-C790 PolarHBondContact O-SG 2.66Å; E786-R988 VanDerWaalsContact CD-NH2 3.29Å; E786-R988 IonicContact OE1-CZ 3.73Å; E786-R988 IonicContact OE1-NH1 3.41Å; E786-R988 PolarHBondContact OE1-NH1 3.36Å; E786-R988 IonicContact OE1-NH2 3.69Å; E786-R988 PolarHBondContact OE1-NH2 3.07Å; E786-R988 IonicContact OE2-CZ 2.67Å; E786-R988 IonicContact OE2-NH1 2.89Å; E786-R988 PolarHBondContact OE2-NH1 3.23Å; E786-R988 IonicContact OE2-NH2 3.04Å; E786-R988 PolarHBondContact OE2-NH2 3.12Å
787	L	96.1	Very high	96.8	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.063	8%	0.076	C	C	.	.	H	α-helix	trans	-63.7	-44.4	177	-69.1	169.9	0	0	0	111.8	R661 Y783 D784 N789 C790 F816 R819	R661-L787 HydrophobicContact CG-CD2 4.06Å; Y783-L787 HydrophobicContact CD1-CD1 4.23Å; Y783-L787 HydrophobicContact CE1-CD1 3.84Å; Y783-L787 HydrophobicContact CE2-CD1 4.26Å; Y783-L787 HydrophobicContact CE2-CG 4.26Å; Y783-L787 PolarHBondContact O-N 2.71Å; Y783-L787 VanDerWaalsContact O-N 3.09Å; D784-L787 PolarHBondContact O-N 3.42Å; L787-N789 PolarHBondContact O-N 3.14Å; L787-C790 WeakPolarHBondContact O-CB 3.3Å; L787-C790 PolarHBondContact O-N 3.17Å; L787-F816 HydrophobicContact CB-CB 4.33Å; L787-F816 HydrophobicContact CB-CD2 3.63Å; L787-F816 HydrophobicContact CB-CE2 4.35Å; L787-F816 HydrophobicContact CB-CG 4.28Å; L787-F816 HydrophobicContact CD1-CD2 4.38Å; L787-R819 HydrophobicContact CD1-CB 3.96Å; L787-R819 HydrophobicContact CD1-CG 3.82Å
788	F	98.2	Very high	96.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.9	-40	-178.7	-175.2	-139.3	0	0	0	112.6	D784 W785 C790 V791 F816 I921 P922 M924 V961 R965	D784-F788 WeakPolarHBondContact O-CB 3.47Å; D784-F788 PolarHBondContact O-N 3.15Å; W785-F788 HydrophobicContact CE3-CD1 4.16Å; W785-F788 HydrophobicContact CZ3-CD1 4.01Å; W785-F788 HydrophobicContact CZ3-CE1 4.38Å; W785-F788 PolarHBondContact O-N 3.33Å; F788-C790 VanDerWaalsContact C-N 3.28Å; F788-C790 PolarHBondContact O-N 2.94Å; F788-V791 WeakPolarHBondContact O-CB 3.21Å; F788-V791 PolarHBondContact O-N 3.15Å; F788-F816 HydrophobicContact CB-CD1 4.39Å; F788-F816 HydrophobicContact CB-CE1 3.81Å; F788-F816 HydrophobicContact CB-CE2 4.18Å; F788-F816 HydrophobicContact CB-CZ 3.73Å; F788-F816 AromaticContact CD2-CD1 3.97Å; F788-F816 HydrophobicContact CD2-CD1 3.97Å; F788-F816 AromaticContact CD2-CE1 3.34Å; F788-F816 HydrophobicContact CD2-CE1 3.34Å; F788-F816 HydrophobicContact CD2-CZ 4.04Å; F788-F816 HydrophobicContact CE2-CE1 4.14Å; F788-F816 AromaticContact CG-CE1 3.84Å; F788-F816 HydrophobicContact CG-CE1 3.84Å; F788-F816 HydrophobicContact CG-CZ 4.07Å; F788-I921 HydrophobicContact CD1-CG1 4.26Å; F788-I921 HydrophobicContact CD1-CG2 4.39Å; F788-P922 HydrophobicContact CZ-CG 4.22Å; F788-M924 HydrophobicContact CD2-SD 4.43Å; F788-M924 HydrophobicContact CE2-CE 4.47Å; F788-M924 HydrophobicContact CE2-SD 3.85Å; F788-V961 HydrophobicContact CE2-CG1 3.69Å; F788-V961 HydrophobicContact CZ-CG1 3.71Å; F788-R965 HydrophobicContact CE1-CB 4.14Å
789	N	96.9	Very high	97	Very high	86 Å²	86	15.8 Å²	15.8	46%	0.46	8%	0.078	S	C	.	.	H	α-helix	trans	-72.1	-21.3	176.7	-73.5	-24.9	0	0	0	113.2	W785 L787	W785-N789 VanDerWaalsContact O-CB 3.29Å; W785-N789 WeakPolarHBondContact O-CB 3.43Å; W785-N789 VanDerWaalsContact O-CG 3.27Å; W785-N789 PolarHBondContact O-N 2.75Å; W785-N789 PolarHBondContact O-ND2 3.04Å; L787-N789 PolarHBondContact O-N 3.14Å
790	C	96.8	Very high	97.1	Very high	12 Å²	12	15.9 Å²	15.9	8%	0.081	8%	0.079	C	C	.	.	H	α-helix	trans	-71.7	-20.7	171.7	-67.6	0	0	0	0	112.6	P663 E786 L787 F788 H792 N812	P663-C790 HydrophobicContact CB-CB 4.46Å; P663-C790 HydrophobicContact CG-CB 4.46Å; E786-C790 PolarHBondContact O-N 3.23Å; E786-C790 PolarHBondContact O-SG 2.66Å; L787-C790 WeakPolarHBondContact O-CB 3.3Å; L787-C790 PolarHBondContact O-N 3.17Å; F788-C790 VanDerWaalsContact C-N 3.28Å; F788-C790 PolarHBondContact O-N 2.94Å; C790-H792 PolarHBondContact O-N 2.75Å; C790-N812 HydrophobicContact CB-CB 4.06Å; C790-N812 WeakPolarHBondContact O-CB 3.44Å; C790-N812 VanDerWaalsContact O-CG 3.27Å; C790-N812 PolarHBondContact O-ND2 2.72Å
791	V	98.1	Very high	97	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	8%	0.082	C	C	.	.			trans	-73.3	116.7	179.9	-175.2	0	0	0	0	110	F788 E795 N812 L813 F816 R965	F788-V791 WeakPolarHBondContact O-CB 3.21Å; F788-V791 PolarHBondContact O-N 3.15Å; V791-E795 HydrophobicContact CG1-CB 4.35Å; V791-N812 HydrophobicContact CG2-CB 4.21Å; V791-L813 HydrophobicContact CG1-CB 4.02Å; V791-L813 HydrophobicContact CG1-CD1 4.19Å; V791-F816 HydrophobicContact CG2-CB 4.2Å; V791-F816 HydrophobicContact CG2-CD1 4.34Å; V791-R965 PolarHBondContact O-NH1 2.67Å
792	H	97.9	Very high	96.8	Very high	48 Å²	48	17.4 Å²	17.4	22%	0.222	9%	0.09	C	C	.	.			trans	-76.6	148.2	170.7	-163.6	-86.2	0	0	0	111.2	M587 L591 C790 L794 E795	M587-H792 PolarHBondContact O-CE1 2.63Å; M587-H792 PolarHBondContact O-NE2 2.7Å; M587-H792 VanDerWaalsContact O-NE2 3.12Å; L591-H792 HydrophobicContact CD1-CB 4.06Å; L591-H792 VanDerWaalsContact CD1-CG 3.47Å; L591-H792 WeakPolarHBondContact CD1-ND1 3.42Å; C790-H792 PolarHBondContact O-N 2.75Å; H792-L794 VanDerWaalsContact C-N 3.28Å; H792-L794 PolarHBondContact ND1-N 2.65Å; H792-L794 PolarHBondContact O-N 3.31Å; H792-E795 HydrophobicContact CB-CG 4.16Å; H792-E795 PolarHBondContact N-OE1 3.2Å; H792-E795 WeakPolarHBondContact O-CB 3.32Å; H792-E795 PolarHBondContact O-N 3.48Å
793	E	97.5	Very high	96.7	Very high	14 Å²	14	17 Å²	17	7%	0.065	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-37.9	-177.5	-66.3	176.6	-153.7	0	0	112	M535 E795 L796 R962 R965	M535-E793 WeakPolarHBondContact CE-OE2 3.36Å; E793-E795 PolarHBondContact O-N 3.12Å; E793-L796 VanDerWaalsContact O-CB 3.31Å; E793-L796 WeakPolarHBondContact O-CB 3.14Å; E793-L796 PolarHBondContact O-N 3.01Å; E793-L796 VanDerWaalsContact O-N 3.11Å; E793-R962 WeakPolarHBondContact OE1-CB 3.43Å; E793-R962 WeakPolarHBondContact OE1-CG 3.42Å; E793-R962 IonicContact OE1-CZ 2.76Å; E793-R962 IonicContact OE1-NE 2.79Å; E793-R962 PolarHBondContact OE1-NE 2.78Å; E793-R962 IonicContact OE1-NH2 3.14Å; E793-R962 IonicContact OE2-CZ 3.6Å; E793-R962 VanDerWaalsContact OE2-CZ 3.23Å; E793-R962 IonicContact OE2-NE 2.83Å; E793-R962 PolarHBondContact OE2-NE 3.17Å; E793-R962 IonicContact OE2-NH2 3.88Å; E793-R962 PolarHBondContact OE2-NH2 2.81Å; E793-R965 VanDerWaalsContact CG-NH2 3.3Å; E793-R965 IonicContact OE1-NH2 3.57Å; E793-R965 PolarHBondContact OE1-NH2 3.4Å
794	L	97.7	Very high	96.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.5	-23.3	175.1	-61.1	177.1	0	0	0	113.6	M535 M587 Y588 L591 H792 L796 I797 Y798	M535-L794 HydrophobicContact CG-CD2 4.34Å; M587-L794 HydrophobicContact CG-CD1 4.48Å; M587-L794 HydrophobicContact CG-CD2 4.44Å; Y588-L794 HydrophobicContact CD1-CD1 3.85Å; Y588-L794 HydrophobicContact CD2-CD1 4.34Å; Y588-L794 HydrophobicContact CE1-CD1 3.78Å; Y588-L794 HydrophobicContact CE2-CD1 4.27Å; Y588-L794 HydrophobicContact CG-CD1 4.14Å; L591-L794 HydrophobicContact CD1-CD1 4.25Å; H792-L794 VanDerWaalsContact C-N 3.28Å; H792-L794 PolarHBondContact ND1-N 2.65Å; H792-L794 PolarHBondContact O-N 3.31Å; L794-L796 PolarHBondContact O-N 2.98Å; L794-I797 HydrophobicContact CD2-CG1 4.41Å; L794-I797 WeakPolarHBondContact O-CB 3.45Å; L794-I797 PolarHBondContact O-N 3.45Å; L794-I797 VanDerWaalsContact O-N 3.09Å; L794-Y798 HydrophobicContact CB-CE1 4.28Å; L794-Y798 HydrophobicContact CB-CE2 3.82Å; L794-Y798 VanDerWaalsContact O-CD2 3.25Å; L794-Y798 WeakPolarHBondContact O-CD2 3.5Å; L794-Y798 PolarHBondContact O-N 3.28Å
795	E	98.4	Very high	96.2	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-32.9	174.1	-68.9	-178.8	-119.3	0	0	111.6	V791 H792 E793 I797 H799 T810 N812 L813	V791-E795 HydrophobicContact CG1-CB 4.35Å; H792-E795 HydrophobicContact CB-CG 4.16Å; H792-E795 PolarHBondContact N-OE1 3.2Å; H792-E795 WeakPolarHBondContact O-CB 3.32Å; H792-E795 PolarHBondContact O-N 3.48Å; E793-E795 PolarHBondContact O-N 3.12Å; E795-I797 VanDerWaalsContact C-N 3.31Å; E795-H799 WeakPolarHBondContact O-CB 3.46Å; E795-H799 PolarHBondContact O-N 3.27Å; E795-T810 HydrophobicContact CB-CG2 4.1Å; E795-T810 HydrophobicContact CG-CG2 4.46Å; E795-T810 WeakPolarHBondContact O-CG2 3.34Å; E795-T810 VanDerWaalsContact OE2-CA 3.22Å; E795-T810 WeakPolarHBondContact OE2-CA 3.32Å; E795-N812 WeakPolarHBondContact OE1-CB 3.34Å; E795-N812 PolarHBondContact OE1-ND2 3.44Å; E795-N812 WeakPolarHBondContact OE2-CB 3.25Å; E795-N812 PolarHBondContact OE2-N 3.35Å; E795-N812 VanDerWaalsContact OE2-N 3.15Å; E795-L813 HydrophobicContact CB-CB 4.22Å; E795-L813 PolarHBondContact OE2-N 3Å
796	L	98.3	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-41.1	173.7	-58.3	167.6	0	0	0	110.3	E793 L794 H799 T800 L813 M924 L927 I928 M931 A958 V961	E793-L796 VanDerWaalsContact O-CB 3.31Å; E793-L796 WeakPolarHBondContact O-CB 3.14Å; E793-L796 PolarHBondContact O-N 3.01Å; E793-L796 VanDerWaalsContact O-N 3.11Å; L794-L796 PolarHBondContact O-N 2.98Å; L796-H799 PolarHBondContact O-N 2.87Å; L796-T800 WeakPolarHBondContact O-CB 3.24Å; L796-T800 PolarHBondContact O-N 2.84Å; L796-T800 PolarHBondContact O-OG1 3Å; L796-L813 HydrophobicContact CD2-CD1 3.83Å; L796-L813 HydrophobicContact CD2-CD2 4.02Å; L796-M924 HydrophobicContact CD2-CE 4.34Å; L796-L927 HydrophobicContact CD2-CD2 4.44Å; L796-I928 HydrophobicContact CD2-CD1 3.84Å; L796-M931 HydrophobicContact CB-CE 3.73Å; L796-M931 HydrophobicContact CB-SD 3.89Å; L796-M931 HydrophobicContact CD2-SD 4.46Å; L796-A958 HydrophobicContact CD1-CB 4.21Å; L796-V961 HydrophobicContact CD1-CB 4.25Å; L796-V961 HydrophobicContact CD1-CG1 4.44Å; L796-V961 HydrophobicContact CD1-CG2 3.89Å
797	I	98.2	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.7	-50.6	178.6	-49	-52.4	0	0	0	110.7	M535 M536 V539 L794 E795 H799 T800 F801 M931 I954 A958	M535-I797 HydrophobicContact CG-CD1 4.44Å; M535-I797 HydrophobicContact CG-CG1 4.34Å; M536-I797 HydrophobicContact CE-CD1 4.25Å; M536-I797 HydrophobicContact CE-CG2 4.13Å; M536-I797 HydrophobicContact SD-CD1 3.6Å; M536-I797 HydrophobicContact SD-CG1 4.24Å; M536-I797 HydrophobicContact SD-CG2 4.38Å; V539-I797 HydrophobicContact CG2-CG2 3.9Å; L794-I797 HydrophobicContact CD2-CG1 4.41Å; L794-I797 WeakPolarHBondContact O-CB 3.45Å; L794-I797 PolarHBondContact O-N 3.45Å; L794-I797 VanDerWaalsContact O-N 3.09Å; E795-I797 VanDerWaalsContact C-N 3.31Å; I797-H799 VanDerWaalsContact C-N 3.26Å; I797-H799 PolarHBondContact O-N 2.92Å; I797-T800 PolarHBondContact O-N 2.87Å; I797-F801 HydrophobicContact CG2-CD2 4.03Å; I797-F801 HydrophobicContact CG2-CE2 4.39Å; I797-F801 WeakPolarHBondContact O-CD2 3.23Å; I797-F801 PolarHBondContact O-N 3.34Å; I797-M931 HydrophobicContact CD1-CE 4.07Å; I797-I954 HydrophobicContact CD1-CG2 3.74Å; I797-A958 HydrophobicContact CD1-CB 4.45Å
798	Y	97.6	Very high	95.9	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.047	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-36	178.5	-54.3	-29	0	0	0	112	L794 G802 R803 F806 K808	L794-Y798 HydrophobicContact CB-CE1 4.28Å; L794-Y798 HydrophobicContact CB-CE2 3.82Å; L794-Y798 VanDerWaalsContact O-CD2 3.25Å; L794-Y798 WeakPolarHBondContact O-CD2 3.5Å; L794-Y798 PolarHBondContact O-N 3.28Å; Y798-G802 CarbonylContact O-C 3.54Å; Y798-G802 WeakPolarHBondContact O-CA 3.38Å; Y798-G802 PolarHBondContact O-N 2.89Å; Y798-G802 VanDerWaalsContact O-N 3.08Å; Y798-R803 PolarHBondContact O-N 3.4Å; Y798-F806 HydrophobicContact CD1-CB 3.95Å; Y798-F806 AromaticContact CD1-CD1 3.73Å; Y798-F806 HydrophobicContact CD1-CD1 3.73Å; Y798-F806 AromaticContact CD1-CD2 3.71Å; Y798-F806 HydrophobicContact CD1-CD2 3.71Å; Y798-F806 HydrophobicContact CD1-CE1 4.13Å; Y798-F806 HydrophobicContact CD1-CE2 4.14Å; Y798-F806 AromaticContact CD1-CG 3.49Å; Y798-F806 HydrophobicContact CD1-CG 3.49Å; Y798-F806 VanDerWaalsContact CD1-CG 3.49Å; Y798-F806 HydrophobicContact CD1-CZ 4.33Å; Y798-F806 HydrophobicContact CE1-CB 4.28Å; Y798-F806 AromaticContact CE1-CD1 3.87Å; Y798-F806 HydrophobicContact CE1-CD1 3.87Å; Y798-F806 HydrophobicContact CE1-CE1 4.38Å; Y798-F806 AromaticContact CE1-CG 4Å; Y798-F806 HydrophobicContact CE1-CG 4Å; Y798-F806 HydrophobicContact CG-CB 4.41Å; Y798-F806 HydrophobicContact CG-CD2 4.24Å; Y798-F806 HydrophobicContact CG-CG 4.25Å; Y798-K808 HydrophobicContact CD2-CB 3.73Å; Y798-K808 HydrophobicContact CD2-CG 4.47Å; Y798-K808 HydrophobicContact CE2-CB 3.71Å; Y798-K808 HydrophobicContact CE2-CG 4.02Å; Y798-K808 HydrophobicContact CG-CB 4.37Å
799	H	96.8	Very high	95.7	Very high	33 Å²	33	36.6 Å²	36.6	15%	0.153	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-48.3	175.3	-179.8	-79.5	0	0	0	111.4	E795 L796 I797 R803 T810 L813	E795-H799 WeakPolarHBondContact O-CB 3.46Å; E795-H799 PolarHBondContact O-N 3.27Å; L796-H799 PolarHBondContact O-N 2.87Å; I797-H799 VanDerWaalsContact C-N 3.26Å; I797-H799 PolarHBondContact O-N 2.92Å; H799-R803 PolarHBondContact CD2-NH2 3.23Å; H799-R803 VanDerWaalsContact CD2-NH2 3.31Å; H799-T810 HydrophobicContact CB-CG2 4.27Å; H799-L813 HydrophobicContact CB-CD2 3.54Å
800	T	96.2	Very high	95.7	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.086	16%	0.157	C	C	.	.	H	α-helix	trans	-68.6	-42.2	-176.7	-64.3	0	0	0	0	113.1	L796 I797 M931 H935 I954	L796-T800 WeakPolarHBondContact O-CB 3.24Å; L796-T800 PolarHBondContact O-N 2.84Å; L796-T800 PolarHBondContact O-OG1 3Å; I797-T800 PolarHBondContact O-N 2.87Å; T800-M931 HydrophobicContact CG2-CB 4.13Å; T800-M931 WeakPolarHBondContact CG2-O 3.45Å; T800-M931 WeakPolarHBondContact OG1-CB 3.49Å; T800-H935 HydrophobicContact CG2-CB 3.56Å; T800-I954 HydrophobicContact CG2-CD1 4.34Å
801	F	96.1	Very high	95.7	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-91.1	0.5	-178.1	-74.4	-95.2	0	0	0	113.8	M536 V539 I797 N805 F806 H935 M951 I954	M536-F801 HydrophobicContact CE-CE2 3.84Å; M536-F801 HydrophobicContact CE-CZ 4.19Å; V539-F801 HydrophobicContact CB-CE1 4.46Å; V539-F801 HydrophobicContact CG1-CD1 3.65Å; V539-F801 HydrophobicContact CG1-CE1 3.41Å; V539-F801 VanDerWaalsContact CG1-CE1 3.41Å; V539-F801 HydrophobicContact CG1-CG 4.37Å; V539-F801 HydrophobicContact CG1-CZ 3.96Å; V539-F801 HydrophobicContact CG2-CD1 4.15Å; V539-F801 HydrophobicContact CG2-CD2 3.94Å; V539-F801 HydrophobicContact CG2-CE1 4.16Å; V539-F801 HydrophobicContact CG2-CE2 3.95Å; V539-F801 HydrophobicContact CG2-CG 4.04Å; V539-F801 HydrophobicContact CG2-CZ 4.06Å; I797-F801 HydrophobicContact CG2-CD2 4.03Å; I797-F801 HydrophobicContact CG2-CE2 4.39Å; I797-F801 WeakPolarHBondContact O-CD2 3.23Å; I797-F801 PolarHBondContact O-N 3.34Å; F801-N805 PolarHBondContact O-ND2 3Å; F801-F806 HydrophobicContact CB-CE2 3.64Å; F801-F806 HydrophobicContact CB-CZ 3.74Å; F801-H935 AromaticContact CD1-CE1 3.3Å; F801-H935 WeakPolarHBondContact CD1-CE1 3.46Å; F801-H935 AromaticContact CD1-ND1 3.39Å; F801-H935 WeakPolarHBondContact CD1-ND1 3.48Å; F801-H935 AromaticContact CE1-CE1 3.51Å; F801-H935 AromaticContact CE1-ND1 3.21Å; F801-H935 WeakPolarHBondContact CE1-ND1 3.36Å; F801-H935 AromaticContact CG-ND1 3.96Å; F801-H935 AromaticContact CZ-ND1 3.65Å; F801-M951 HydrophobicContact CZ-CE 4.42Å; F801-M951 HydrophobicContact CZ-SD 4.45Å; F801-I954 HydrophobicContact CE2-CG1 4.36Å; F801-I954 HydrophobicContact CE2-CG2 4.26Å; F801-I954 HydrophobicContact CZ-CG1 4.47Å
802	G	92.2	Very high	95.6	Very high	17 Å²	17	32.3 Å²	32.3	18%	0.175	16%	0.155	C	C	.	.			trans	90.7	114.4	178.4	0	0	0	0	0	113.3	Y798 H804 N805 F806	Y798-G802 CarbonylContact O-C 3.54Å; Y798-G802 WeakPolarHBondContact O-CA 3.38Å; Y798-G802 PolarHBondContact O-N 2.89Å; Y798-G802 VanDerWaalsContact O-N 3.08Å; G802-H804 VanDerWaalsContact C-N 3.26Å; G802-H804 PolarHBondContact O-N 2.97Å; G802-N805 WeakPolarHBondContact O-CB 3.46Å; G802-N805 PolarHBondContact O-N 2.89Å; G802-F806 VanDerWaalsContact O-CD2 3.32Å; G802-F806 WeakPolarHBondContact O-CD2 3.46Å
803	R	92.4	Very high	95.6	Very high	34 Å²	34	30 Å²	30	13%	0.128	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-32.9	-173.5	-57.3	170.3	-135.6	-164.2	-7.7	114.3	V728 T733 Y798 H799 N805 F806 K807 T810 D814	V728-R803 HydrophobicContact CG2-CB 4.07Å; T733-R803 VanDerWaalsContact CG2-NH1 3.29Å; Y798-R803 PolarHBondContact O-N 3.4Å; H799-R803 PolarHBondContact CD2-NH2 3.23Å; H799-R803 VanDerWaalsContact CD2-NH2 3.31Å; R803-N805 PolarHBondContact O-N 3.27Å; R803-F806 PolarHBondContact O-N 3.09Å; R803-F806 VanDerWaalsContact O-N 3.13Å; R803-K807 PolarHBondContact O-N 2.96Å; R803-T810 VanDerWaalsContact CD-OG1 3.25Å; R803-T810 WeakPolarHBondContact CD-OG1 3.25Å; R803-T810 HydrophobicContact CG-CG2 3.75Å; R803-T810 PolarHBondContact NE-OG1 2.86Å; R803-T810 PolarHBondContact NH1-OG1 3.13Å; R803-D814 IonicContact CZ-OD1 3.78Å; R803-D814 IonicContact CZ-OD2 2.81Å; R803-D814 IonicContact NH1-OD1 3.5Å; R803-D814 PolarHBondContact NH1-OD1 3.01Å; R803-D814 IonicContact NH1-OD2 3.66Å; R803-D814 PolarHBondContact NH1-OD2 2.73Å; R803-D814 IonicContact NH2-OD1 2.71Å; R803-D814 PolarHBondContact NH2-OD1 2.87Å; R803-D814 IonicContact NH2-OD2 2.83Å
804	H	89.3	Confident	95.6	Very high	98 Å²	98	29.9 Å²	29.9	45%	0.454	14%	0.144	S	C	.	.	H	α-helix	trans	-61.6	-28.1	178.4	59	-89.4	0	0	0	112.4	G802 F806	G802-H804 VanDerWaalsContact C-N 3.26Å; G802-H804 PolarHBondContact O-N 2.97Å; H804-F806 VanDerWaalsContact C-N 3.29Å; H804-F806 PolarHBondContact O-N 3Å
805	N	93.1	Very high	95.4	Very high	107 Å²	107	31.6 Å²	31.6	57%	0.572	15%	0.153	S	C	*	.	H	α-helix	trans	-70.2	-28.6	177.9	-65.3	-35.1	0	0	0	112.3	F801 G802 R803	F801-N805 PolarHBondContact O-ND2 3Å; G802-N805 WeakPolarHBondContact O-CB 3.46Å; G802-N805 PolarHBondContact O-N 2.89Å; R803-N805 PolarHBondContact O-N 3.27Å
806	F	94.9	Very high	95.4	Very high	38 Å²	38	31.2 Å²	31.2	17%	0.167	15%	0.151	C	C	.	.	H	α-helix	trans	-102.3	-18.9	-177.9	-53.9	-84.2	0	0	0	113	C538 V539 Y798 F801 G802 R803 H804 K808	C538-F806 HydrophobicContact CB-CD1 4.33Å; C538-F806 HydrophobicContact CB-CE1 4.05Å; C538-F806 WeakPolarHBondContact O-CE1 3.36Å; V539-F806 HydrophobicContact CG2-CZ 4.36Å; Y798-F806 HydrophobicContact CD1-CB 3.95Å; Y798-F806 AromaticContact CD1-CD1 3.73Å; Y798-F806 HydrophobicContact CD1-CD1 3.73Å; Y798-F806 AromaticContact CD1-CD2 3.71Å; Y798-F806 HydrophobicContact CD1-CD2 3.71Å; Y798-F806 HydrophobicContact CD1-CE1 4.13Å; Y798-F806 HydrophobicContact CD1-CE2 4.14Å; Y798-F806 AromaticContact CD1-CG 3.49Å; Y798-F806 HydrophobicContact CD1-CG 3.49Å; Y798-F806 VanDerWaalsContact CD1-CG 3.49Å; Y798-F806 HydrophobicContact CD1-CZ 4.33Å; Y798-F806 HydrophobicContact CE1-CB 4.28Å; Y798-F806 AromaticContact CE1-CD1 3.87Å; Y798-F806 HydrophobicContact CE1-CD1 3.87Å; Y798-F806 HydrophobicContact CE1-CE1 4.38Å; Y798-F806 AromaticContact CE1-CG 4Å; Y798-F806 HydrophobicContact CE1-CG 4Å; Y798-F806 HydrophobicContact CG-CB 4.41Å; Y798-F806 HydrophobicContact CG-CD2 4.24Å; Y798-F806 HydrophobicContact CG-CG 4.25Å; F801-F806 HydrophobicContact CB-CE2 3.64Å; F801-F806 HydrophobicContact CB-CZ 3.74Å; G802-F806 VanDerWaalsContact O-CD2 3.32Å; G802-F806 WeakPolarHBondContact O-CD2 3.46Å; R803-F806 PolarHBondContact O-N 3.09Å; R803-F806 VanDerWaalsContact O-N 3.13Å; H804-F806 VanDerWaalsContact C-N 3.29Å; H804-F806 PolarHBondContact O-N 3Å; F806-K808 HydrophobicContact CB-CB 4.28Å; F806-K808 HydrophobicContact CB-CG 4.13Å; F806-K808 PolarHBondContact O-N 3.36Å
807	K	93.6	Very high	95.3	Very high	164 Å²	164	32 Å²	32	71%	0.713	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	32.7	-169.6	-55.7	179.6	-178.9	176.9	0	112.7	R803	R803-K807 PolarHBondContact O-N 2.96Å
808	K	93.8	Very high	95.2	Very high	47 Å²	47	34 Å²	34	20%	0.204	16%	0.163	C	C	.	.			trans	-112.2	152.2	176.1	-60.8	-62.2	-179.6	168.8	0	110.2	E594 Y798 F806	E594-K808 PolarHBondContact O-NZ 3.32Å; Y798-K808 HydrophobicContact CD2-CB 3.73Å; Y798-K808 HydrophobicContact CD2-CG 4.47Å; Y798-K808 HydrophobicContact CE2-CB 3.71Å; Y798-K808 HydrophobicContact CE2-CG 4.02Å; Y798-K808 HydrophobicContact CG-CB 4.37Å; F806-K808 HydrophobicContact CB-CB 4.28Å; F806-K808 HydrophobicContact CB-CG 4.13Å; F806-K808 PolarHBondContact O-N 3.36Å
809	T	94.8	Very high	95.2	Very high	15 Å²	15	33.6 Å²	33.6	9%	0.092	16%	0.161	C	C	.	.			trans	-79.2	156.9	176.2	-174.7	0	0	0	0	111.7	S729 A811	S729-T809 PolarHBondContact OG-OG1 3.1Å; T809-A811 VanDerWaalsContact OG1-CB 3.3Å; T809-A811 WeakPolarHBondContact OG1-CB 3.43Å; T809-A811 PolarHBondContact OG1-N 3.23Å
810	T	97.1	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.			trans	-128.6	36.2	164.5	67.9	0	0	0	0	110	E795 H799 R803 N812 L813 D814	E795-T810 HydrophobicContact CB-CG2 4.1Å; E795-T810 HydrophobicContact CG-CG2 4.46Å; E795-T810 WeakPolarHBondContact O-CG2 3.34Å; E795-T810 VanDerWaalsContact OE2-CA 3.22Å; E795-T810 WeakPolarHBondContact OE2-CA 3.32Å; H799-T810 HydrophobicContact CB-CG2 4.27Å; R803-T810 VanDerWaalsContact CD-OG1 3.25Å; R803-T810 WeakPolarHBondContact CD-OG1 3.25Å; R803-T810 HydrophobicContact CG-CG2 3.75Å; R803-T810 PolarHBondContact NE-OG1 2.86Å; R803-T810 PolarHBondContact NH1-OG1 3.13Å; T810-N812 VanDerWaalsContact C-N 3.27Å; T810-N812 PolarHBondContact O-N 3.19Å; T810-L813 PolarHBondContact O-N 3.44Å; T810-D814 PolarHBondContact O-N 3.21Å; T810-D814 PolarHBondContact OG1-OD1 3.11Å
811	A	95.6	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.1	-39.8	-173.1	0	0	0	0	0	112.8	I664 V688 T732 T809 D814 L815	I664-A811 HydrophobicContact CB-CB 4.21Å; I664-A811 HydrophobicContact CG2-CB 3.91Å; V688-A811 HydrophobicContact CG1-CB 4.07Å; T732-A811 HydrophobicContact CG2-CB 3.82Å; T809-A811 VanDerWaalsContact OG1-CB 3.3Å; T809-A811 WeakPolarHBondContact OG1-CB 3.43Å; T809-A811 PolarHBondContact OG1-N 3.23Å; A811-D814 PolarHBondContact O-N 3.1Å; A811-L815 VanDerWaalsContact O-CG 3.28Å; A811-L815 WeakPolarHBondContact O-CG 3.31Å; A811-L815 PolarHBondContact O-N 2.99Å
812	N	96.7	Very high	95.3	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.059	16%	0.16	C	C	.	.	H	α-helix	trans	-69.5	-44.6	-178.4	-53	-65.1	0	0	0	110.2	I664 C790 V791 E795 T810 D814 L815 F816	I664-N812 PolarHBondContact N-OD1 2.69Å; I664-N812 PolarHBondContact O-ND2 2.76Å; C790-N812 HydrophobicContact CB-CB 4.06Å; C790-N812 WeakPolarHBondContact O-CB 3.44Å; C790-N812 VanDerWaalsContact O-CG 3.27Å; C790-N812 PolarHBondContact O-ND2 2.72Å; V791-N812 HydrophobicContact CG2-CB 4.21Å; E795-N812 WeakPolarHBondContact OE1-CB 3.34Å; E795-N812 PolarHBondContact OE1-ND2 3.44Å; E795-N812 WeakPolarHBondContact OE2-CB 3.25Å; E795-N812 PolarHBondContact OE2-N 3.35Å; E795-N812 VanDerWaalsContact OE2-N 3.15Å; T810-N812 VanDerWaalsContact C-N 3.27Å; T810-N812 PolarHBondContact O-N 3.19Å; N812-D814 PolarHBondContact O-N 2.8Å; N812-L815 PolarHBondContact O-N 3.5Å; N812-F816 WeakPolarHBondContact O-CB 3.35Å; N812-F816 PolarHBondContact O-N 3.48Å
813	L	97.9	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-45	174.2	179.5	61.3	0	0	0	111.6	V791 E795 L796 H799 T810 L815 F816 L817 M924 I928	V791-L813 HydrophobicContact CG1-CB 4.02Å; V791-L813 HydrophobicContact CG1-CD1 4.19Å; E795-L813 HydrophobicContact CB-CB 4.22Å; E795-L813 PolarHBondContact OE2-N 3Å; L796-L813 HydrophobicContact CD2-CD1 3.83Å; L796-L813 HydrophobicContact CD2-CD2 4.02Å; H799-L813 HydrophobicContact CB-CD2 3.54Å; T810-L813 PolarHBondContact O-N 3.44Å; L813-L815 PolarHBondContact O-N 2.94Å; L813-F816 PolarHBondContact O-N 2.83Å; L813-L817 HydrophobicContact CD1-CD1 4.03Å; L813-L817 HydrophobicContact CD1-CD2 4.49Å; L813-L817 HydrophobicContact CD1-CG 4Å; L813-L817 HydrophobicContact CG-CD1 3.94Å; L813-L817 HydrophobicContact CG-CG 4.31Å; L813-L817 WeakPolarHBondContact O-CG 3.45Å; L813-L817 PolarHBondContact O-N 3.15Å; L813-M924 HydrophobicContact CD1-CE 4.07Å; L813-I928 HydrophobicContact CD1-CD1 4.24Å; L813-I928 HydrophobicContact CD2-CD1 4.26Å
814	D	96.1	Very high	95.8	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.064	15%	0.148	C	C	.	.	H	α-helix	trans	-58.5	-47.5	179.1	-71.7	-25	0	0	0	112	T732 R803 T810 A811 N812 F816 L817 R818	T732-D814 PolarHBondContact OG1-OD2 3.3Å; R803-D814 IonicContact CZ-OD1 3.78Å; R803-D814 IonicContact CZ-OD2 2.81Å; R803-D814 IonicContact NH1-OD1 3.5Å; R803-D814 PolarHBondContact NH1-OD1 3.01Å; R803-D814 IonicContact NH1-OD2 3.66Å; R803-D814 PolarHBondContact NH1-OD2 2.73Å; R803-D814 IonicContact NH2-OD1 2.71Å; R803-D814 PolarHBondContact NH2-OD1 2.87Å; R803-D814 IonicContact NH2-OD2 2.83Å; T810-D814 PolarHBondContact O-N 3.21Å; T810-D814 PolarHBondContact OG1-OD1 3.11Å; A811-D814 PolarHBondContact O-N 3.1Å; N812-D814 PolarHBondContact O-N 2.8Å; D814-F816 VanDerWaalsContact C-N 3.31Å; D814-F816 PolarHBondContact O-N 2.87Å; D814-L817 PolarHBondContact O-N 3.34Å; D814-R818 VanDerWaalsContact O-CB 3.25Å; D814-R818 WeakPolarHBondContact O-CB 3.31Å; D814-R818 PolarHBondContact O-N 3.28Å
815	L	94.8	Very high	96.3	Very high	35 Å²	35	28.1 Å²	28.1	18%	0.183	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-37.8	179.6	-69.9	177.8	0	0	0	111.5	I664 T732 A811 N812 L813 R818 R819	I664-L815 HydrophobicContact CD1-CD1 3.53Å; T732-L815 HydrophobicContact CG2-CD2 4.23Å; T732-L815 HydrophobicContact CG2-CG 4.17Å; A811-L815 VanDerWaalsContact O-CG 3.28Å; A811-L815 WeakPolarHBondContact O-CG 3.31Å; A811-L815 PolarHBondContact O-N 2.99Å; N812-L815 PolarHBondContact O-N 3.5Å; L813-L815 PolarHBondContact O-N 2.94Å; L815-R818 PolarHBondContact O-N 3.04Å; L815-R819 WeakPolarHBondContact O-CB 3.49Å; L815-R819 PolarHBondContact O-N 2.92Å
816	F	97.8	Very high	96.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.4	-37.8	177.7	-172	-133.8	0	0	0	112.9	D784 L787 F788 V791 N812 L813 D814 R819 F820 I921 M924	D784-F816 HydrophobicContact CB-CE2 4.22Å; L787-F816 HydrophobicContact CB-CB 4.33Å; L787-F816 HydrophobicContact CB-CD2 3.63Å; L787-F816 HydrophobicContact CB-CE2 4.35Å; L787-F816 HydrophobicContact CB-CG 4.28Å; L787-F816 HydrophobicContact CD1-CD2 4.38Å; F788-F816 HydrophobicContact CB-CD1 4.39Å; F788-F816 HydrophobicContact CB-CE1 3.81Å; F788-F816 HydrophobicContact CB-CE2 4.18Å; F788-F816 HydrophobicContact CB-CZ 3.73Å; F788-F816 AromaticContact CD2-CD1 3.97Å; F788-F816 HydrophobicContact CD2-CD1 3.97Å; F788-F816 AromaticContact CD2-CE1 3.34Å; F788-F816 HydrophobicContact CD2-CE1 3.34Å; F788-F816 HydrophobicContact CD2-CZ 4.04Å; F788-F816 HydrophobicContact CE2-CE1 4.14Å; F788-F816 AromaticContact CG-CE1 3.84Å; F788-F816 HydrophobicContact CG-CE1 3.84Å; F788-F816 HydrophobicContact CG-CZ 4.07Å; V791-F816 HydrophobicContact CG2-CB 4.2Å; V791-F816 HydrophobicContact CG2-CD1 4.34Å; N812-F816 WeakPolarHBondContact O-CB 3.35Å; N812-F816 PolarHBondContact O-N 3.48Å; L813-F816 PolarHBondContact O-N 2.83Å; D814-F816 VanDerWaalsContact C-N 3.31Å; D814-F816 PolarHBondContact O-N 2.87Å; F816-R819 WeakPolarHBondContact O-CB 3.48Å; F816-R819 PolarHBondContact O-N 3.12Å; F816-F820 PolarHBondContact O-N 3.37Å; F816-I921 HydrophobicContact CE1-CG2 4.43Å; F816-I921 HydrophobicContact CZ-CG2 3.67Å; F816-M924 HydrophobicContact CD1-CE 4.29Å; F816-M924 HydrophobicContact CD1-CG 3.94Å; F816-M924 HydrophobicContact CD1-SD 4.49Å; F816-M924 HydrophobicContact CE1-CB 4.5Å; F816-M924 HydrophobicContact CE1-CE 4.31Å; F816-M924 HydrophobicContact CE1-CG 3.33Å; F816-M924 HydrophobicContact CE1-SD 3.92Å; F816-M924 HydrophobicContact CZ-CG 4.07Å
817	L	96.2	Very high	96.7	Very high	16 Å²	16	21.4 Å²	21.4	8%	0.084	10%	0.098	C	C	.	.	H	α-helix	trans	-67.2	-38.3	171.5	-67.2	175.8	0	0	0	111.6	L813 D814 R819 F820 M924 I928	L813-L817 HydrophobicContact CD1-CD1 4.03Å; L813-L817 HydrophobicContact CD1-CD2 4.49Å; L813-L817 HydrophobicContact CD1-CG 4Å; L813-L817 HydrophobicContact CG-CD1 3.94Å; L813-L817 HydrophobicContact CG-CG 4.31Å; L813-L817 WeakPolarHBondContact O-CG 3.45Å; L813-L817 PolarHBondContact O-N 3.15Å; D814-L817 PolarHBondContact O-N 3.34Å; L817-R819 VanDerWaalsContact C-N 3.3Å; L817-R819 PolarHBondContact O-N 2.85Å; L817-F820 WeakPolarHBondContact O-CB 3.38Å; L817-F820 PolarHBondContact O-N 3.09Å; L817-M924 HydrophobicContact CD2-CB 3.94Å; L817-I928 HydrophobicContact CD1-CG1 4.12Å; L817-I928 HydrophobicContact CD2-CG1 3.93Å
818	R	95.7	Very high	97	Very high	43 Å²	43	13.6 Å²	13.6	16%	0.162	6%	0.064	C	C	.	.	H	α-helix	trans	-64.4	-34.8	174.4	-180	173.6	169	171	-3	112.2	Q649 L734 T735 I736 D814 L815 F820 N821 E822	Q649-R818 VanDerWaalsContact OE1-NH2 3.09Å; L734-R818 PolarHBondContact O-NH1 2.72Å; T735-R818 VanDerWaalsContact O-CZ 3.23Å; T735-R818 PolarHBondContact O-NH1 3.13Å; T735-R818 PolarHBondContact O-NH2 2.95Å; I736-R818 HydrophobicContact CG1-CG 4.15Å; I736-R818 PolarHBondContact O-NH2 2.94Å; D814-R818 VanDerWaalsContact O-CB 3.25Å; D814-R818 WeakPolarHBondContact O-CB 3.31Å; D814-R818 PolarHBondContact O-N 3.28Å; L815-R818 PolarHBondContact O-N 3.04Å; R818-F820 VanDerWaalsContact C-N 3.25Å; R818-F820 PolarHBondContact O-N 3.26Å; R818-N821 PolarHBondContact O-N 2.92Å; R818-E822 PolarHBondContact O-N 3.3Å
819	R	97.4	Very high	97.2	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.015	6%	0.055	C	C	.	.	H	α-helix	trans	-58	-36.7	174.7	175.3	59.2	176.3	176.4	5.3	112.3	D784 L787 L815 F816 L817 E822 I823 V987	D784-R819 WeakPolarHBondContact OD1-CG 3.2Å; D784-R819 IonicContact OD1-CZ 3.62Å; D784-R819 IonicContact OD1-NE 3.7Å; D784-R819 PolarHBondContact OD1-NE 3.3Å; D784-R819 VanDerWaalsContact OD1-NE 3.12Å; D784-R819 IonicContact OD1-NH2 2.75Å; L787-R819 HydrophobicContact CD1-CB 3.96Å; L787-R819 HydrophobicContact CD1-CG 3.82Å; L815-R819 WeakPolarHBondContact O-CB 3.49Å; L815-R819 PolarHBondContact O-N 2.92Å; F816-R819 WeakPolarHBondContact O-CB 3.48Å; F816-R819 PolarHBondContact O-N 3.12Å; L817-R819 VanDerWaalsContact C-N 3.3Å; L817-R819 PolarHBondContact O-N 2.85Å; R819-E822 WeakPolarHBondContact CD-OE2 3.29Å; R819-E822 IonicContact CZ-OE2 2.75Å; R819-E822 IonicContact NE-OE2 3.29Å; R819-E822 IonicContact NH1-OE2 2.66Å; R819-E822 PolarHBondContact NH1-OE2 3.45Å; R819-E822 PolarHBondContact O-N 3.33Å; R819-I823 HydrophobicContact CG-CD1 4.19Å; R819-I823 WeakPolarHBondContact O-CG1 3.43Å; R819-I823 PolarHBondContact O-N 2.93Å; R819-V987 PolarHBondContact NH1-O 3.4Å; R819-V987 PolarHBondContact NH2-O 3.04Å
820	F	98.3	Very high	97.4	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.022	5%	0.051	C	C	.	.	H	α-helix	trans	-57.9	-52.3	174	-176.9	-86.3	0	0	0	111.5	F816 L817 R818 E822 I823 Q824 N861 F864 A865 M868 F923 P925	F816-F820 PolarHBondContact O-N 3.37Å; L817-F820 WeakPolarHBondContact O-CB 3.38Å; L817-F820 PolarHBondContact O-N 3.09Å; R818-F820 VanDerWaalsContact C-N 3.25Å; R818-F820 PolarHBondContact O-N 3.26Å; F820-E822 VanDerWaalsContact C-N 3.32Å; F820-E822 PolarHBondContact O-N 3.14Å; F820-I823 PolarHBondContact O-N 3.1Å; F820-Q824 PolarHBondContact O-N 3.21Å; F820-N861 WeakPolarHBondContact CD2-O 3.36Å; F820-N861 VanDerWaalsContact CE2-O 3.28Å; F820-N861 WeakPolarHBondContact CE2-O 3.47Å; F820-F864 HydrophobicContact CE2-CB 4.12Å; F820-F864 HydrophobicContact CZ-CB 4.42Å; F820-A865 HydrophobicContact CD2-CB 3.75Å; F820-A865 HydrophobicContact CE1-CB 4.43Å; F820-A865 HydrophobicContact CE2-CB 3.66Å; F820-A865 VanDerWaalsContact CE2-N 3.34Å; F820-A865 HydrophobicContact CG-CB 4.17Å; F820-A865 HydrophobicContact CZ-CB 4Å; F820-M868 HydrophobicContact CE1-SD 3.89Å; F820-M868 HydrophobicContact CZ-SD 3.53Å; F820-M868 VanDerWaalsContact CZ-SD 3.53Å; F820-F923 AromaticContact CE2-CD2 3.92Å; F820-F923 HydrophobicContact CE2-CD2 3.92Å; F820-F923 AromaticContact CE2-CE2 3.58Å; F820-F923 HydrophobicContact CE2-CE2 3.58Å; F820-F923 HydrophobicContact CZ-CD2 4.42Å; F820-F923 AromaticContact CZ-CE2 3.63Å; F820-F923 HydrophobicContact CZ-CE2 3.63Å; F820-P925 HydrophobicContact CD1-CG 3.97Å; F820-P925 HydrophobicContact CD2-CG 3.97Å; F820-P925 HydrophobicContact CE1-CG 4.15Å; F820-P925 HydrophobicContact CE2-CG 4.13Å; F820-P925 HydrophobicContact CG-CG 3.89Å; F820-P925 HydrophobicContact CZ-CG 4.24Å
821	N	95.3	Very high	97.4	Very high	29 Å²	29	10.8 Å²	10.8	16%	0.155	5%	0.051	C	C	.	.	H	α-helix	trans	-64.1	-37.8	178.4	-67.1	-39.3	0	0	0	111.6	I736 R818 I823 Q824 F825	I736-N821 HydrophobicContact CD1-CB 3.91Å; I736-N821 HydrophobicContact CG1-CB 4.48Å; R818-N821 PolarHBondContact O-N 2.92Å; N821-I823 VanDerWaalsContact C-N 3.35Å; N821-I823 PolarHBondContact O-N 3.43Å; N821-Q824 PolarHBondContact O-N 3.21Å; N821-F825 HydrophobicContact CB-CD2 4.44Å; N821-F825 WeakPolarHBondContact O-CB 3.49Å; N821-F825 VanDerWaalsContact O-CD2 3.29Å; N821-F825 WeakPolarHBondContact O-CD2 3.39Å; N821-F825 PolarHBondContact O-N 3.37Å
822	E	97.9	Very high	97.6	Very high	22 Å²	22	11 Å²	11	10%	0.103	5%	0.052	C	C	.	.	H	α-helix	trans	-58.2	-45.7	176.9	-175.9	-174.6	-128.3	0	0	111.5	I736 R818 R819 F820 W826 L990	I736-E822 HydrophobicContact CD1-CB 4.37Å; I736-E822 HydrophobicContact CG1-CB 4.49Å; R818-E822 PolarHBondContact O-N 3.3Å; R819-E822 WeakPolarHBondContact CD-OE2 3.29Å; R819-E822 IonicContact CZ-OE2 2.75Å; R819-E822 IonicContact NE-OE2 3.29Å; R819-E822 IonicContact NH1-OE2 2.66Å; R819-E822 PolarHBondContact NH1-OE2 3.45Å; R819-E822 PolarHBondContact O-N 3.33Å; F820-E822 VanDerWaalsContact C-N 3.32Å; F820-E822 PolarHBondContact O-N 3.14Å; E822-W826 VanDerWaalsContact O-CB 3.29Å; E822-W826 WeakPolarHBondContact O-CB 3.25Å; E822-W826 PolarHBondContact O-N 3.1Å; E822-L990 HydrophobicContact CG-CB 4.15Å; E822-L990 HydrophobicContact CG-CD1 4.28Å
823	I	98.7	Very high	97.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.3	-42.9	177.3	-65.1	168.6	0	0	0	111.1	M780 R819 F820 N821 W826 V827 S862 A865 I866	M780-I823 HydrophobicContact CE-CB 4.45Å; M780-I823 HydrophobicContact CE-CD1 3.68Å; M780-I823 HydrophobicContact CE-CG1 3.9Å; M780-I823 HydrophobicContact CE-CG2 3.68Å; R819-I823 HydrophobicContact CG-CD1 4.19Å; R819-I823 WeakPolarHBondContact O-CG1 3.43Å; R819-I823 PolarHBondContact O-N 2.93Å; F820-I823 PolarHBondContact O-N 3.1Å; N821-I823 VanDerWaalsContact C-N 3.35Å; N821-I823 PolarHBondContact O-N 3.43Å; I823-W826 HydrophobicContact CG2-CE3 4.38Å; I823-W826 WeakPolarHBondContact O-CB 3.07Å; I823-W826 PolarHBondContact O-N 2.92Å; I823-V827 PolarHBondContact O-N 3.15Å; I823-S862 WeakPolarHBondContact CD1-OG 3.47Å; I823-A865 HydrophobicContact CB-CB 3.81Å; I823-A865 HydrophobicContact CG2-CB 3.66Å; I823-I866 HydrophobicContact CG2-CG1 3.77Å
824	Q	98.1	Very high	97.6	Very high	13 Å²	13	12.7 Å²	12.7	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-51.4	177.9	-175.6	-168.2	-13.9	0	0	111.1	F820 N821 W826 V827 V828 A865 M868	F820-Q824 PolarHBondContact O-N 3.21Å; N821-Q824 PolarHBondContact O-N 3.21Å; Q824-W826 VanDerWaalsContact C-N 3.31Å; Q824-W826 PolarHBondContact O-N 3.33Å; Q824-V827 WeakPolarHBondContact O-CB 3.5Å; Q824-V827 PolarHBondContact O-N 3.29Å; Q824-V828 PolarHBondContact O-N 3.34Å; Q824-A865 WeakPolarHBondContact CA-O 3.25Å; Q824-M868 HydrophobicContact CG-CB 4.3Å
825	F	98.3	Very high	97.7	Very high	29 Å²	29	16.5 Å²	16.5	13%	0.127	9%	0.089	C	C	.	.	H	α-helix	trans	-70.5	-26.1	-179.9	-80.4	-66.4	0	0	0	113	I736 N821 V827 V828 T829 V992 I993 D994 L999	I736-F825 HydrophobicContact CD1-CB 4.37Å; I736-F825 HydrophobicContact CD1-CD2 3.71Å; I736-F825 HydrophobicContact CD1-CG 4.43Å; N821-F825 HydrophobicContact CB-CD2 4.44Å; N821-F825 WeakPolarHBondContact O-CB 3.49Å; N821-F825 VanDerWaalsContact O-CD2 3.29Å; N821-F825 WeakPolarHBondContact O-CD2 3.39Å; N821-F825 PolarHBondContact O-N 3.37Å; F825-V827 VanDerWaalsContact C-N 3.35Å; F825-V828 PolarHBondContact O-N 3.26Å; F825-T829 WeakPolarHBondContact O-CB 3.49Å; F825-T829 PolarHBondContact O-N 3.31Å; F825-T829 PolarHBondContact O-OG1 3.1Å; F825-V992 HydrophobicContact CB-CB 4.24Å; F825-V992 HydrophobicContact CB-CG2 4.11Å; F825-I993 WeakPolarHBondContact CD1-O 3.26Å; F825-D994 HydrophobicContact CD2-CB 4.12Å; F825-D994 HydrophobicContact CE2-CB 4.32Å; F825-D994 HydrophobicContact CG-CB 4.27Å; F825-L999 HydrophobicContact CD1-CD1 3.7Å; F825-L999 HydrophobicContact CE1-CD1 3.89Å
826	W	98.7	Very high	97.8	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-58.5	-45.7	170.2	167.7	57.3	0	0	0	112	F768 M780 E822 I823 Q824 T829 E830 F847 I850 Y986 L990 V992	F768-W826 HydrophobicContact CD2-CZ2 4.14Å; F768-W826 HydrophobicContact CE2-CZ2 4.09Å; F768-W826 HydrophobicContact CZ-CZ2 4.41Å; M780-W826 HydrophobicContact CE-CZ3 4.22Å; M780-W826 HydrophobicContact SD-CZ3 4.16Å; E822-W826 VanDerWaalsContact O-CB 3.29Å; E822-W826 WeakPolarHBondContact O-CB 3.25Å; E822-W826 PolarHBondContact O-N 3.1Å; I823-W826 HydrophobicContact CG2-CE3 4.38Å; I823-W826 WeakPolarHBondContact O-CB 3.07Å; I823-W826 PolarHBondContact O-N 2.92Å; Q824-W826 VanDerWaalsContact C-N 3.31Å; Q824-W826 PolarHBondContact O-N 3.33Å; W826-T829 PolarHBondContact O-N 3.27Å; W826-E830 WeakPolarHBondContact O-CG 3.37Å; W826-E830 PolarHBondContact O-N 3.35Å; W826-F847 HydrophobicContact CD2-CE1 4.11Å; W826-F847 AromaticContact CE2-CE1 3.97Å; W826-F847 AromaticContact CE3-CE1 3.89Å; W826-F847 HydrophobicContact CE3-CE1 3.89Å; W826-F847 HydrophobicContact CH2-CD1 4.2Å; W826-F847 AromaticContact CH2-CE1 3.51Å; W826-F847 HydrophobicContact CH2-CE1 3.51Å; W826-F847 HydrophobicContact CH2-CZ 4.5Å; W826-F847 AromaticContact CZ2-CE1 3.67Å; W826-F847 HydrophobicContact CZ2-CE1 3.67Å; W826-F847 HydrophobicContact CZ2-CZ 4.26Å; W826-F847 HydrophobicContact CZ3-CD1 4.15Å; W826-F847 AromaticContact CZ3-CE1 3.6Å; W826-F847 HydrophobicContact CZ3-CE1 3.6Å; W826-I850 HydrophobicContact CH2-CD1 4.16Å; W826-Y986 AromaticContact CZ2-CE1 3.93Å; W826-Y986 HydrophobicContact CZ2-CE1 3.93Å; W826-Y986 AromaticContact NE1-CZ 3.93Å; W826-Y986 PolarHBondContact NE1-OH 3.33Å; W826-L990 HydrophobicContact CB-CD1 4.09Å; W826-L990 HydrophobicContact CD2-CD1 4.28Å; W826-L990 HydrophobicContact CD2-CD2 4.32Å; W826-L990 HydrophobicContact CG-CD1 4.06Å; W826-L990 HydrophobicContact CG-CD2 4.14Å; W826-V992 HydrophobicContact CB-CG1 3.7Å
827	V	98.8	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-50.2	176.6	175.4	0	0	0	0	111.1	I823 Q824 F825 T829 I831 F847 I866 L870	I823-V827 PolarHBondContact O-N 3.15Å; Q824-V827 WeakPolarHBondContact O-CB 3.5Å; Q824-V827 PolarHBondContact O-N 3.29Å; F825-V827 VanDerWaalsContact C-N 3.35Å; V827-T829 VanDerWaalsContact C-N 3.35Å; V827-T829 PolarHBondContact O-N 3.21Å; V827-I831 HydrophobicContact CG1-CD1 3.85Å; V827-I831 WeakPolarHBondContact O-CG1 3.34Å; V827-I831 PolarHBondContact O-N 2.76Å; V827-F847 HydrophobicContact CB-CE1 4.42Å; V827-F847 HydrophobicContact CB-CZ 4.42Å; V827-F847 HydrophobicContact CG1-CD1 4.48Å; V827-F847 HydrophobicContact CG1-CD2 3.96Å; V827-F847 HydrophobicContact CG1-CE2 4.16Å; V827-F847 HydrophobicContact CG1-CG 4.14Å; V827-F847 HydrophobicContact CG2-CD1 3.77Å; V827-F847 HydrophobicContact CG2-CE1 3.8Å; V827-F847 HydrophobicContact CG2-CG 4.23Å; V827-F847 HydrophobicContact CG2-CZ 4.28Å; V827-I866 HydrophobicContact CG2-CB 4.33Å; V827-I866 HydrophobicContact CG2-CG1 4.21Å; V827-I866 HydrophobicContact CG2-CG2 4.08Å; V827-L870 HydrophobicContact CG1-CD2 3.76Å; V827-L870 HydrophobicContact CG1-CG 4.07Å
828	V	98.6	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-42.4	-178.2	-173	0	0	0	0	111.1	Q824 F825 I831 C832 G869 N872 A874 V875 L999	Q824-V828 PolarHBondContact O-N 3.34Å; F825-V828 PolarHBondContact O-N 3.26Å; V828-I831 PolarHBondContact O-N 3.46Å; V828-C832 WeakPolarHBondContact O-CB 3.49Å; V828-C832 PolarHBondContact O-N 3.48Å; V828-C832 PolarHBondContact O-SG 3.18Å; V828-G869 WeakPolarHBondContact CG2-O 3.38Å; V828-N872 HydrophobicContact CG2-CB 3.62Å; V828-A874 HydrophobicContact CG1-CB 4.06Å; V828-V875 HydrophobicContact CB-CG2 4.36Å; V828-V875 HydrophobicContact CG1-CG2 4.07Å; V828-V875 HydrophobicContact CG2-CG2 4.23Å; V828-L999 HydrophobicContact CB-CD1 4.26Å; V828-L999 HydrophobicContact CG1-CB 4.1Å; V828-L999 HydrophobicContact CG1-CD1 3.73Å; V828-L999 HydrophobicContact CG1-CD2 3.87Å; V828-L999 HydrophobicContact CG1-CG 4.1Å
829	T	98.6	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-53.8	179.3	-62.8	0	0	0	0	111.2	P760 F825 W826 V827 I831 C832 L833 I993	P760-T829 HydrophobicContact CG-CG2 3.87Å; F825-T829 WeakPolarHBondContact O-CB 3.49Å; F825-T829 PolarHBondContact O-N 3.31Å; F825-T829 PolarHBondContact O-OG1 3.1Å; W826-T829 PolarHBondContact O-N 3.27Å; V827-T829 VanDerWaalsContact C-N 3.35Å; V827-T829 PolarHBondContact O-N 3.21Å; T829-I831 VanDerWaalsContact C-N 3.31Å; T829-I831 PolarHBondContact O-N 3.12Å; T829-C832 PolarHBondContact O-N 3.43Å; T829-L833 HydrophobicContact CG2-CD1 3.66Å; T829-L833 HydrophobicContact CG2-CG 4.4Å; T829-L833 WeakPolarHBondContact O-CB 3.45Å; T829-L833 WeakPolarHBondContact O-CG 3.24Å; T829-L833 PolarHBondContact O-N 2.8Å; T829-I993 HydrophobicContact CG2-CB 4.4Å; T829-I993 HydrophobicContact CG2-CD1 4.12Å; T829-I993 HydrophobicContact CG2-CG1 3.92Å; T829-I993 PolarHBondContact OG1-N 2.92Å; T829-I993 PolarHBondContact OG1-O 3.42Å
830	E	98.6	Very high	97.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-35	-176.9	-70.8	-61.6	148.3	0	0	112.4	T764 V765 F768 W826 C834 L843 F847	T764-E830 PolarHBondContact N-OE1 3.02Å; T764-E830 VanDerWaalsContact N-OE1 3.08Å; T764-E830 PolarHBondContact N-OE2 3.39Å; T764-E830 VanDerWaalsContact OG1-CD 3.28Å; T764-E830 PolarHBondContact OG1-OE1 3.28Å; V765-E830 WeakPolarHBondContact CG2-OE2 3.45Å; V765-E830 PolarHBondContact N-OE2 3.35Å; F768-E830 HydrophobicContact CE1-CB 4.45Å; F768-E830 HydrophobicContact CE1-CG 3.91Å; F768-E830 HydrophobicContact CZ-CB 4.4Å; F768-E830 HydrophobicContact CZ-CG 4.2Å; W826-E830 WeakPolarHBondContact O-CG 3.37Å; W826-E830 PolarHBondContact O-N 3.35Å; E830-C834 VanDerWaalsContact O-CB 3.31Å; E830-C834 WeakPolarHBondContact O-CB 3.48Å; E830-C834 PolarHBondContact O-N 2.94Å; E830-L843 WeakPolarHBondContact O-CD1 3.47Å; E830-F847 HydrophobicContact CB-CE2 4.29Å; E830-F847 HydrophobicContact CB-CZ 4.04Å; E830-F847 HydrophobicContact CG-CZ 4.45Å
831	I	98.6	Very high	97.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-46	176.3	-67.1	170.3	0	0	0	111.1	V827 V828 T829 L833 C834 L843 L844 F847 L870 V875 L878	V827-I831 HydrophobicContact CG1-CD1 3.85Å; V827-I831 WeakPolarHBondContact O-CG1 3.34Å; V827-I831 PolarHBondContact O-N 2.76Å; V828-I831 PolarHBondContact O-N 3.46Å; T829-I831 VanDerWaalsContact C-N 3.31Å; T829-I831 PolarHBondContact O-N 3.12Å; I831-L833 VanDerWaalsContact C-N 3.35Å; I831-L833 PolarHBondContact O-N 3.13Å; I831-C834 PolarHBondContact O-N 2.96Å; I831-L843 HydrophobicContact CG1-CB 4.43Å; I831-L844 HydrophobicContact CD1-CD2 3.77Å; I831-F847 HydrophobicContact CD1-CD2 4.19Å; I831-F847 HydrophobicContact CD1-CE2 4.32Å; I831-F847 HydrophobicContact CG1-CD2 4.36Å; I831-F847 HydrophobicContact CG1-CE2 4.07Å; I831-L870 HydrophobicContact CD1-CD2 3.85Å; I831-V875 HydrophobicContact CB-CG2 4.31Å; I831-V875 HydrophobicContact CD1-CG1 3.72Å; I831-V875 HydrophobicContact CD1-CG2 4.01Å; I831-V875 HydrophobicContact CG2-CG1 4.3Å; I831-V875 HydrophobicContact CG2-CG2 4.2Å; I831-L878 HydrophobicContact CG2-CD1 3.75Å
832	C	98.3	Very high	98.1	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-26.7	-177.5	-66.5	0	0	0	0	113.3	V828 T829 C834 L999 M1002 L1006	V828-C832 WeakPolarHBondContact O-CB 3.49Å; V828-C832 PolarHBondContact O-N 3.48Å; V828-C832 PolarHBondContact O-SG 3.18Å; T829-C832 PolarHBondContact O-N 3.43Å; C832-C834 VanDerWaalsContact C-N 3.33Å; C832-L999 HydrophobicContact CB-CD2 4.09Å; C832-M1002 HydrophobicContact CB-CB 4.03Å; C832-M1002 HydrophobicContact CB-SD 4.37Å; C832-L1006 WeakPolarHBondContact O-CD1 3.31Å
833	L	98.2	Very high	98.1	Very high	36 Å²	36	30 Å²	30	19%	0.188	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.5	174.3	-67.9	176.2	0	0	0	113.2	P760 T829 I831 S835 I993 M1002	P760-L833 HydrophobicContact CG-CD1 4.31Å; T829-L833 HydrophobicContact CG2-CD1 3.66Å; T829-L833 HydrophobicContact CG2-CG 4.4Å; T829-L833 WeakPolarHBondContact O-CB 3.45Å; T829-L833 WeakPolarHBondContact O-CG 3.24Å; T829-L833 PolarHBondContact O-N 2.8Å; I831-L833 VanDerWaalsContact C-N 3.35Å; I831-L833 PolarHBondContact O-N 3.13Å; L833-S835 PolarHBondContact O-N 3.48Å; L833-I993 HydrophobicContact CD1-CD1 4.26Å; L833-I993 HydrophobicContact CD2-CD1 4.35Å; L833-I993 HydrophobicContact CG-CD1 4.39Å; L833-M1002 HydrophobicContact CD2-CE 3.96Å; L833-M1002 HydrophobicContact CD2-SD 3.95Å
834	C	97.9	Very high	98.1	Very high	10 Å²	10	30 Å²	30	7%	0.068	16%	0.163	C	C	.	.			trans	-92.4	94.7	-179.6	-175	0	0	0	0	111.5	E830 I831 C832 Q836 K839 R840 L843	E830-C834 VanDerWaalsContact O-CB 3.31Å; E830-C834 WeakPolarHBondContact O-CB 3.48Å; E830-C834 PolarHBondContact O-N 2.94Å; I831-C834 PolarHBondContact O-N 2.96Å; C832-C834 VanDerWaalsContact C-N 3.33Å; C834-Q836 VanDerWaalsContact C-N 3.32Å; C834-Q836 PolarHBondContact O-N 3.3Å; C834-K839 VanDerWaalsContact SG-CB 3.59Å; C834-R840 HydrophobicContact CB-CG 3.74Å; C834-R840 WeakPolarHBondContact O-CD 3.35Å; C834-R840 WeakPolarHBondContact O-CG 3.49Å; C834-R840 PolarHBondContact O-NH1 3.26Å; C834-L843 HydrophobicContact CB-CD1 3.71Å
835	S	96.4	Very high	98.1	Very high	91 Å²	91	33.2 Å²	33.2	64%	0.636	18%	0.176	S	C	*	.			trans	-66	-30	-177.7	57.4	0	0	0	0	114.4	L833 L837 R840	L833-S835 PolarHBondContact O-N 3.48Å; S835-L837 PolarHBondContact O-N 2.9Å; S835-R840 PolarHBondContact O-NH1 3.29Å
836	Q	97.3	Very high	98.1	Very high	99 Å²	99	33 Å²	33	46%	0.463	18%	0.175	S	C	.	.			trans	-82.2	114.9	-176	-64.5	175	-0.5	0	0	111.7	C834 S838 K839 R840	C834-Q836 VanDerWaalsContact C-N 3.32Å; C834-Q836 PolarHBondContact O-N 3.3Å; Q836-S838 VanDerWaalsContact C-N 3.32Å; Q836-S838 PolarHBondContact O-N 2.81Å; Q836-K839 HydrophobicContact CB-CB 4.17Å; Q836-K839 HydrophobicContact CB-CG 4.23Å; Q836-K839 PolarHBondContact O-N 2.94Å; Q836-K839 VanDerWaalsContact O-N 3.11Å; Q836-R840 PolarHBondContact O-N 3.5Å
837	L	97.5	Very high	98.1	Very high	47 Å²	47	32.8 Å²	32.8	25%	0.246	17%	0.174	C	C	.	.	H	α-helix	trans	-52.9	-44.8	-179.2	175.7	63.3	0	0	0	113.1	S835 K839 R840 V841 L880 T881 K884	S835-L837 PolarHBondContact O-N 2.9Å; L837-K839 VanDerWaalsContact C-N 3.35Å; L837-K839 PolarHBondContact O-N 3.25Å; L837-R840 PolarHBondContact O-N 2.94Å; L837-V841 WeakPolarHBondContact O-CG2 3.34Å; L837-V841 PolarHBondContact O-N 3Å; L837-V841 VanDerWaalsContact O-N 3.09Å; L837-L880 HydrophobicContact CD1-CB 4.43Å; L837-T881 WeakPolarHBondContact CD1-OG1 3.35Å; L837-K884 HydrophobicContact CD2-CD 4.07Å
838	S	97.2	Very high	98.1	Very high	83 Å²	83	32.9 Å²	32.9	58%	0.58	18%	0.175	S	C	*	.	H	α-helix	trans	-61.7	-41.2	179.8	53.5	0	0	0	0	112.6	Q836 V841 Q842	Q836-S838 VanDerWaalsContact C-N 3.32Å; Q836-S838 PolarHBondContact O-N 2.81Å; S838-V841 PolarHBondContact O-N 3.4Å; S838-Q842 WeakPolarHBondContact O-CG 3.49Å; S838-Q842 PolarHBondContact O-N 3.11Å
839	K	97.6	Very high	98.1	Very high	80 Å²	80	36.8 Å²	36.8	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-71.4	-34.5	175.9	-67.5	-163.4	179.2	-176.6	0	112.3	C834 Q836 L837 V841 Q842 L843	C834-K839 VanDerWaalsContact SG-CB 3.59Å; Q836-K839 HydrophobicContact CB-CB 4.17Å; Q836-K839 HydrophobicContact CB-CG 4.23Å; Q836-K839 PolarHBondContact O-N 2.94Å; Q836-K839 VanDerWaalsContact O-N 3.11Å; L837-K839 VanDerWaalsContact C-N 3.35Å; L837-K839 PolarHBondContact O-N 3.25Å; K839-V841 VanDerWaalsContact C-N 3.33Å; K839-V841 PolarHBondContact O-N 3.07Å; K839-Q842 WeakPolarHBondContact O-CB 3.22Å; K839-Q842 PolarHBondContact O-N 3.21Å; K839-Q842 VanDerWaalsContact O-N 3.13Å; K839-L843 PolarHBondContact O-N 3.48Å
840	R	97.9	Very high	98.1	Very high	8 Å²	8	36.8 Å²	36.8	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-42.3	172.1	-72.4	-160.4	-58	-89.6	10.7	112.6	C834 S835 Q836 L837 Q842 L843 L844 T881 E1007	C834-R840 HydrophobicContact CB-CG 3.74Å; C834-R840 WeakPolarHBondContact O-CD 3.35Å; C834-R840 WeakPolarHBondContact O-CG 3.49Å; C834-R840 PolarHBondContact O-NH1 3.26Å; S835-R840 PolarHBondContact O-NH1 3.29Å; Q836-R840 PolarHBondContact O-N 3.5Å; L837-R840 PolarHBondContact O-N 2.94Å; R840-Q842 VanDerWaalsContact C-N 3.27Å; R840-Q842 PolarHBondContact O-N 3.48Å; R840-L843 WeakPolarHBondContact O-CB 3.06Å; R840-L843 PolarHBondContact O-N 3.07Å; R840-L843 VanDerWaalsContact O-N 3.12Å; R840-L844 PolarHBondContact O-N 3.22Å; R840-T881 HydrophobicContact CB-CG2 3.69Å; R840-T881 PolarHBondContact NE-OG1 3.28Å; R840-T881 PolarHBondContact NH2-OG1 2.65Å; R840-E1007 IonicContact CZ-OE1 3.42Å; R840-E1007 IonicContact NE-OE1 2.66Å; R840-E1007 IonicContact NH2-OE1 3.69Å; R840-E1007 PolarHBondContact NH2-OE1 2.82Å
841	V	98.5	Very high	98.1	Very high	19 Å²	19	36.7 Å²	36.7	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-38.8	175	177.3	0	0	0	0	110.9	L837 S838 K839 L844 K845 T881 K884 L885	L837-V841 WeakPolarHBondContact O-CG2 3.34Å; L837-V841 PolarHBondContact O-N 3Å; L837-V841 VanDerWaalsContact O-N 3.09Å; S838-V841 PolarHBondContact O-N 3.4Å; K839-V841 VanDerWaalsContact C-N 3.33Å; K839-V841 PolarHBondContact O-N 3.07Å; V841-L844 PolarHBondContact O-N 3.22Å; V841-K845 PolarHBondContact O-N 2.56Å; V841-K845 VanDerWaalsContact O-N 3.11Å; V841-T881 HydrophobicContact CG2-CG2 3.98Å; V841-K884 HydrophobicContact CG2-CB 3.91Å; V841-L885 HydrophobicContact CG1-CD1 4.35Å
842	Q	97.8	Very high	98.1	Very high	98 Å²	98	38.3 Å²	38.3	46%	0.458	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-37.8	174.2	-67.6	172.1	-20	0	0	112.1	S838 K839 R840 K845 K846	S838-Q842 WeakPolarHBondContact O-CG 3.49Å; S838-Q842 PolarHBondContact O-N 3.11Å; K839-Q842 WeakPolarHBondContact O-CB 3.22Å; K839-Q842 PolarHBondContact O-N 3.21Å; K839-Q842 VanDerWaalsContact O-N 3.13Å; R840-Q842 VanDerWaalsContact C-N 3.27Å; R840-Q842 PolarHBondContact O-N 3.48Å; Q842-K845 PolarHBondContact O-N 3.06Å; Q842-K846 VanDerWaalsContact O-CB 3.28Å; Q842-K846 WeakPolarHBondContact O-CB 3.08Å; Q842-K846 PolarHBondContact O-N 2.99Å
843	L	98.4	Very high	98.1	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-48.2	173.9	-73.7	179	0	0	0	112.3	V765 F768 E830 I831 C834 K839 R840 K845 K846 F847	V765-L843 HydrophobicContact CG1-CD2 3.99Å; V765-L843 HydrophobicContact CG1-CG 4.47Å; V765-L843 HydrophobicContact CG2-CD1 3.81Å; V765-L843 HydrophobicContact CG2-CD2 4.08Å; V765-L843 HydrophobicContact CG2-CG 4.39Å; F768-L843 HydrophobicContact CE1-CD2 4.36Å; F768-L843 HydrophobicContact CE2-CD2 4.14Å; F768-L843 HydrophobicContact CZ-CD2 3.52Å; E830-L843 WeakPolarHBondContact O-CD1 3.47Å; I831-L843 HydrophobicContact CG1-CB 4.43Å; C834-L843 HydrophobicContact CB-CD1 3.71Å; K839-L843 PolarHBondContact O-N 3.48Å; R840-L843 WeakPolarHBondContact O-CB 3.06Å; R840-L843 PolarHBondContact O-N 3.07Å; R840-L843 VanDerWaalsContact O-N 3.12Å; L843-K845 VanDerWaalsContact C-N 3.3Å; L843-K845 PolarHBondContact O-N 2.89Å; L843-K846 WeakPolarHBondContact O-CA 3.38Å; L843-K846 PolarHBondContact O-N 3.46Å; L843-F847 HydrophobicContact CB-CD2 4.39Å; L843-F847 HydrophobicContact CB-CE2 4.29Å; L843-F847 HydrophobicContact CD2-CE2 4.38Å; L843-F847 VanDerWaalsContact O-CD2 3.25Å; L843-F847 WeakPolarHBondContact O-CD2 3.43Å; L843-F847 PolarHBondContact O-N 3.42Å
844	L	98.4	Very high	98.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-53.4	-50.8	174.7	-70.4	-173.9	0	0	0	110.7	I831 R840 V841 K846 F847 I848 L870 V875 T881 W882 L885	I831-L844 HydrophobicContact CD1-CD2 3.77Å; R840-L844 PolarHBondContact O-N 3.22Å; V841-L844 PolarHBondContact O-N 3.22Å; L844-K846 VanDerWaalsContact C-N 3.28Å; L844-K846 PolarHBondContact O-N 2.89Å; L844-F847 PolarHBondContact O-N 2.88Å; L844-I848 WeakPolarHBondContact O-CB 3.48Å; L844-I848 WeakPolarHBondContact O-CD1 3.48Å; L844-I848 VanDerWaalsContact O-CG1 3.23Å; L844-I848 WeakPolarHBondContact O-CG1 3.21Å; L844-I848 PolarHBondContact O-N 2.67Å; L844-L870 HydrophobicContact CD2-CD2 3.67Å; L844-V875 HydrophobicContact CD2-CG1 4.08Å; L844-T881 HydrophobicContact CD1-CG2 3.61Å; L844-T881 HydrophobicContact CG-CG2 4.15Å; L844-W882 HydrophobicContact CD1-CD2 3.82Å; L844-W882 HydrophobicContact CD1-CE3 3.96Å; L844-W882 HydrophobicContact CD1-CG 4.3Å; L844-W882 HydrophobicContact CD1-CH2 4.49Å; L844-W882 HydrophobicContact CD1-CZ2 4.36Å; L844-W882 HydrophobicContact CD1-CZ3 4.29Å; L844-W882 HydrophobicContact CD2-CH2 4.18Å; L844-W882 HydrophobicContact CD2-CZ2 3.93Å; L844-L885 HydrophobicContact CB-CD1 4.03Å
845	K	98.4	Very high	98	Very high	79 Å²	79	40.9 Å²	40.9	34%	0.343	21%	0.213	S	C	.	.	H	α-helix	trans	-58	-39.7	176	177.4	177.9	172	-176.3	0	112.2	V841 Q842 L843 K849 L885 F889	V841-K845 PolarHBondContact O-N 2.56Å; V841-K845 VanDerWaalsContact O-N 3.11Å; Q842-K845 PolarHBondContact O-N 3.06Å; L843-K845 VanDerWaalsContact C-N 3.3Å; L843-K845 PolarHBondContact O-N 2.89Å; K845-K849 VanDerWaalsContact O-CG 3.29Å; K845-K849 WeakPolarHBondContact O-CG 3.35Å; K845-K849 PolarHBondContact O-N 3.19Å; K845-L885 HydrophobicContact CB-CD1 4.2Å; K845-F889 HydrophobicContact CD-CD2 4.19Å; K845-F889 HydrophobicContact CD-CE2 3.71Å; K845-F889 HydrophobicContact CD-CZ 4Å; K845-F889 HydrophobicContact CG-CD1 4.14Å; K845-F889 HydrophobicContact CG-CD2 3.98Å; K845-F889 HydrophobicContact CG-CE1 3.88Å; K845-F889 HydrophobicContact CG-CE2 3.72Å; K845-F889 HydrophobicContact CG-CG 4.21Å; K845-F889 HydrophobicContact CG-CZ 3.67Å
846	K	98.4	Very high	98	Very high	26 Å²	26	42.3 Å²	42.3	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-70.7	-44.2	-178.3	-167.2	172.6	175.7	92.1	0	111.5	F768 E769 M771 Q842 L843 L844 K849 I850	F768-K846 HydrophobicContact CD2-CD 4.15Å; F768-K846 HydrophobicContact CE2-CD 3.94Å; F768-K846 WeakPolarHBondContact O-CE 3.31Å; F768-K846 PolarHBondContact O-NZ 2.88Å; E769-K846 PolarHBondContact O-NZ 3.09Å; M771-K846 PolarHBondContact O-NZ 3.08Å; Q842-K846 VanDerWaalsContact O-CB 3.28Å; Q842-K846 WeakPolarHBondContact O-CB 3.08Å; Q842-K846 PolarHBondContact O-N 2.99Å; L843-K846 WeakPolarHBondContact O-CA 3.38Å; L843-K846 PolarHBondContact O-N 3.46Å; L844-K846 VanDerWaalsContact C-N 3.28Å; L844-K846 PolarHBondContact O-N 2.89Å; K846-K849 WeakPolarHBondContact O-CB 3.38Å; K846-K849 PolarHBondContact O-N 2.82Å; K846-I850 HydrophobicContact CG-CD1 4.22Å; K846-I850 VanDerWaalsContact O-CG1 3.28Å; K846-I850 WeakPolarHBondContact O-CG1 3.25Å; K846-I850 PolarHBondContact O-N 2.7Å
847	F	98.8	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-41.9	176.1	-73.9	-57.9	0	0	0	112.6	F768 W826 V827 E830 I831 L843 L844 K849 I850 A851 I866 L870	F768-F847 HydrophobicContact CE2-CE1 4.37Å; F768-F847 HydrophobicContact CE2-CZ 4.22Å; F768-F847 AromaticContact CZ-CZ 3.97Å; F768-F847 HydrophobicContact CZ-CZ 3.97Å; W826-F847 HydrophobicContact CD2-CE1 4.11Å; W826-F847 AromaticContact CE2-CE1 3.97Å; W826-F847 AromaticContact CE3-CE1 3.89Å; W826-F847 HydrophobicContact CE3-CE1 3.89Å; W826-F847 HydrophobicContact CH2-CD1 4.2Å; W826-F847 AromaticContact CH2-CE1 3.51Å; W826-F847 HydrophobicContact CH2-CE1 3.51Å; W826-F847 HydrophobicContact CH2-CZ 4.5Å; W826-F847 AromaticContact CZ2-CE1 3.67Å; W826-F847 HydrophobicContact CZ2-CE1 3.67Å; W826-F847 HydrophobicContact CZ2-CZ 4.26Å; W826-F847 HydrophobicContact CZ3-CD1 4.15Å; W826-F847 AromaticContact CZ3-CE1 3.6Å; W826-F847 HydrophobicContact CZ3-CE1 3.6Å; V827-F847 HydrophobicContact CB-CE1 4.42Å; V827-F847 HydrophobicContact CB-CZ 4.42Å; V827-F847 HydrophobicContact CG1-CD1 4.48Å; V827-F847 HydrophobicContact CG1-CD2 3.96Å; V827-F847 HydrophobicContact CG1-CE2 4.16Å; V827-F847 HydrophobicContact CG1-CG 4.14Å; V827-F847 HydrophobicContact CG2-CD1 3.77Å; V827-F847 HydrophobicContact CG2-CE1 3.8Å; V827-F847 HydrophobicContact CG2-CG 4.23Å; V827-F847 HydrophobicContact CG2-CZ 4.28Å; E830-F847 HydrophobicContact CB-CE2 4.29Å; E830-F847 HydrophobicContact CB-CZ 4.04Å; E830-F847 HydrophobicContact CG-CZ 4.45Å; I831-F847 HydrophobicContact CD1-CD2 4.19Å; I831-F847 HydrophobicContact CD1-CE2 4.32Å; I831-F847 HydrophobicContact CG1-CD2 4.36Å; I831-F847 HydrophobicContact CG1-CE2 4.07Å; L843-F847 HydrophobicContact CB-CD2 4.39Å; L843-F847 HydrophobicContact CB-CE2 4.29Å; L843-F847 HydrophobicContact CD2-CE2 4.38Å; L843-F847 VanDerWaalsContact O-CD2 3.25Å; L843-F847 WeakPolarHBondContact O-CD2 3.43Å; L843-F847 PolarHBondContact O-N 3.42Å; L844-F847 PolarHBondContact O-N 2.88Å; F847-K849 VanDerWaalsContact C-N 3.26Å; F847-K849 PolarHBondContact O-N 2.84Å; F847-I850 HydrophobicContact CD1-CD1 4.21Å; F847-I850 PolarHBondContact O-N 3.12Å; F847-I850 VanDerWaalsContact O-N 3.12Å; F847-A851 WeakPolarHBondContact O-CB 3.23Å; F847-A851 PolarHBondContact O-N 3.01Å; F847-I866 HydrophobicContact CB-CG2 4Å; F847-L870 HydrophobicContact CB-CD1 4.42Å; F847-L870 HydrophobicContact CB-CD2 4.21Å
848	I	98.7	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-39.9	174	-67.1	164.4	0	0	0	110.7	L844 A852 L870 L885 F889 F892 Y893 F896	L844-I848 WeakPolarHBondContact O-CB 3.48Å; L844-I848 WeakPolarHBondContact O-CD1 3.48Å; L844-I848 VanDerWaalsContact O-CG1 3.23Å; L844-I848 WeakPolarHBondContact O-CG1 3.21Å; L844-I848 PolarHBondContact O-N 2.67Å; I848-A852 WeakPolarHBondContact O-CB 3.31Å; I848-A852 PolarHBondContact O-N 3.22Å; I848-L870 HydrophobicContact CG1-CD1 3.82Å; I848-L885 HydrophobicContact CD1-CD2 3.85Å; I848-F889 HydrophobicContact CB-CD1 4.44Å; I848-F889 HydrophobicContact CD1-CB 4.15Å; I848-F889 HydrophobicContact CG2-CD1 3.98Å; I848-F892 HydrophobicContact CG2-CB 4.02Å; I848-Y893 HydrophobicContact CG1-CD2 4.41Å; I848-F896 HydrophobicContact CG2-CE2 3.95Å
849	K	98.5	Very high	98	Very high	83 Å²	83	34.9 Å²	34.9	36%	0.361	16%	0.163	S	C	.	.	H	α-helix	trans	-67.1	-41	174.5	-73.8	175.9	172.9	-163.5	0	113.3	K845 K846 F847 A851 A852 H853 F889	K845-K849 VanDerWaalsContact O-CG 3.29Å; K845-K849 WeakPolarHBondContact O-CG 3.35Å; K845-K849 PolarHBondContact O-N 3.19Å; K846-K849 WeakPolarHBondContact O-CB 3.38Å; K846-K849 PolarHBondContact O-N 2.82Å; F847-K849 VanDerWaalsContact C-N 3.26Å; F847-K849 PolarHBondContact O-N 2.84Å; K849-A851 VanDerWaalsContact C-N 3.35Å; K849-A852 PolarHBondContact O-N 3Å; K849-H853 PolarHBondContact O-CD2 3.04Å; K849-H853 PolarHBondContact O-N 3.29Å; K849-H853 VanDerWaalsContact O-N 3.12Å; K849-F889 HydrophobicContact CD-CE1 4.4Å; K849-F889 HydrophobicContact CG-CE1 3.85Å
850	I	98.7	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-45.8	177	-65.1	162.9	0	0	0	109.3	L776 A777 M780 W826 K846 F847 A852 H853 C854 I866	L776-I850 HydrophobicContact CB-CD1 4.37Å; L776-I850 HydrophobicContact CB-CG1 4.38Å; L776-I850 HydrophobicContact CD1-CD1 3.75Å; L776-I850 HydrophobicContact CD1-CG1 4.37Å; A777-I850 HydrophobicContact CB-CG2 4.19Å; M780-I850 HydrophobicContact SD-CG2 4Å; W826-I850 HydrophobicContact CH2-CD1 4.16Å; K846-I850 HydrophobicContact CG-CD1 4.22Å; K846-I850 VanDerWaalsContact O-CG1 3.28Å; K846-I850 WeakPolarHBondContact O-CG1 3.25Å; K846-I850 PolarHBondContact O-N 2.7Å; F847-I850 HydrophobicContact CD1-CD1 4.21Å; F847-I850 PolarHBondContact O-N 3.12Å; F847-I850 VanDerWaalsContact O-N 3.12Å; I850-A852 VanDerWaalsContact C-N 3.35Å; I850-A852 PolarHBondContact O-N 3.21Å; I850-H853 PolarHBondContact O-N 3.21Å; I850-C854 PolarHBondContact O-N 2.93Å; I850-C854 PolarHBondContact O-SG 3.43Å; I850-I866 HydrophobicContact CB-CD1 4.22Å; I850-I866 HydrophobicContact CG2-CD1 3.59Å
851	A	98.7	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-46.2	174.9	0	0	0	0	0	111.8	F847 K849 H853 C854 K855 F863 I866 V867 F896	F847-A851 WeakPolarHBondContact O-CB 3.23Å; F847-A851 PolarHBondContact O-N 3.01Å; K849-A851 VanDerWaalsContact C-N 3.35Å; A851-H853 VanDerWaalsContact C-N 3.31Å; A851-H853 PolarHBondContact O-N 3.24Å; A851-C854 PolarHBondContact O-N 2.9Å; A851-C854 VanDerWaalsContact O-N 3.16Å; A851-K855 PolarHBondContact O-N 3.24Å; A851-F863 HydrophobicContact CB-CD2 3.94Å; A851-F863 HydrophobicContact CB-CE2 4.37Å; A851-F863 WeakPolarHBondContact O-CD2 3.37Å; A851-I866 HydrophobicContact CB-CB 4.17Å; A851-I866 HydrophobicContact CB-CD1 4.35Å; A851-I866 HydrophobicContact CB-CG2 3.89Å; A851-V867 HydrophobicContact CB-CG2 4.47Å; A851-F896 HydrophobicContact CB-CD2 4.33Å; A851-F896 HydrophobicContact CB-CE2 4.03Å
852	A	98	Very high	98	Very high	34 Å²	34	29.9 Å²	29.9	28%	0.281	14%	0.14	S	C	.	.	H	α-helix	trans	-55.6	-45	176.7	0	0	0	0	0	112.3	I848 K849 I850 K855 E856 F896	I848-A852 WeakPolarHBondContact O-CB 3.31Å; I848-A852 PolarHBondContact O-N 3.22Å; K849-A852 PolarHBondContact O-N 3Å; I850-A852 VanDerWaalsContact C-N 3.35Å; I850-A852 PolarHBondContact O-N 3.21Å; A852-K855 PolarHBondContact O-N 2.82Å; A852-E856 PolarHBondContact O-N 3.16Å; A852-F896 HydrophobicContact CB-CE2 4.43Å; A852-F896 HydrophobicContact CB-CZ 3.87Å
853	H	97.9	Very high	98.1	Very high	47 Å²	47	25.2 Å²	25.2	22%	0.218	12%	0.118	C	C	.	.	H	α-helix	trans	-70.9	-35.5	176.6	-71.8	-57.7	0	0	0	113	A777 K849 I850 A851 K855 E856 Y857	A777-H853 HydrophobicContact CB-CB 3.48Å; A777-H853 VanDerWaalsContact CB-CB 3.48Å; K849-H853 PolarHBondContact O-CD2 3.04Å; K849-H853 PolarHBondContact O-N 3.29Å; K849-H853 VanDerWaalsContact O-N 3.12Å; I850-H853 PolarHBondContact O-N 3.21Å; A851-H853 VanDerWaalsContact C-N 3.31Å; A851-H853 PolarHBondContact O-N 3.24Å; H853-K855 VanDerWaalsContact C-N 3.31Å; H853-K855 PolarHBondContact O-N 3.15Å; H853-E856 IonicContact CE1-OE2 2.76Å; H853-E856 IonicContact CG-OE2 3.35Å; H853-E856 IonicContact ND1-OE2 3.45Å; H853-E856 PolarHBondContact ND1-OE2 2.86Å; H853-E856 WeakPolarHBondContact O-CB 3.45Å; H853-E856 PolarHBondContact O-N 2.94Å; H853-Y857 HydrophobicContact CB-CE2 4.38Å; H853-Y857 WeakPolarHBondContact O-CD2 3.4Å; H853-Y857 PolarHBondContact O-N 3.19Å
854	C	98.3	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-43.1	171.7	-72.8	0	0	0	0	111.3	I850 A851 Y857 K858 N859 F863	I850-C854 PolarHBondContact O-N 2.93Å; I850-C854 PolarHBondContact O-SG 3.43Å; A851-C854 PolarHBondContact O-N 2.9Å; A851-C854 VanDerWaalsContact O-N 3.16Å; C854-Y857 CarbonylContact O-C 3.52Å; C854-Y857 PolarHBondContact O-N 3Å; C854-K858 PolarHBondContact O-N 3.33Å; C854-N859 WeakPolarHBondContact O-CA 3.29Å; C854-N859 PolarHBondContact O-N 2.67Å; C854-F863 HydrophobicContact CB-CB 4.15Å
855	K	96.6	Very high	98	Very high	59 Å²	59	25.1 Å²	25.1	26%	0.257	12%	0.118	S	C	.	.	H	α-helix	trans	-62.9	-42.5	174.3	-174.7	-178.3	175.3	-173.2	0	111.8	A851 A852 H853 Y857 K858 L860 F863	A851-K855 PolarHBondContact O-N 3.24Å; A852-K855 PolarHBondContact O-N 2.82Å; H853-K855 VanDerWaalsContact C-N 3.31Å; H853-K855 PolarHBondContact O-N 3.15Å; K855-Y857 VanDerWaalsContact C-N 3.3Å; K855-Y857 PolarHBondContact O-N 2.8Å; K855-K858 WeakPolarHBondContact O-CA 3.49Å; K855-K858 PolarHBondContact O-N 2.84Å; K855-L860 HydrophobicContact CG-CD2 4.25Å; K855-F863 HydrophobicContact CB-CB 4.48Å; K855-F863 HydrophobicContact CB-CD2 3.81Å; K855-F863 HydrophobicContact CB-CE2 4.23Å; K855-F863 HydrophobicContact CB-CG 4.13Å; K855-F863 HydrophobicContact CD-CE2 4.13Å; K855-F863 HydrophobicContact CD-CZ 4.24Å
856	E	95.4	Very high	98.1	Very high	121 Å²	121	21.3 Å²	21.3	57%	0.565	10%	0.101	S	C	*	.	H	α-helix	trans	-58.2	-40.8	174.6	-172.3	-176.3	179.7	0	0	111.9	A852 H853 K858	A852-E856 PolarHBondContact O-N 3.16Å; H853-E856 IonicContact CE1-OE2 2.76Å; H853-E856 IonicContact CG-OE2 3.35Å; H853-E856 IonicContact ND1-OE2 3.45Å; H853-E856 PolarHBondContact ND1-OE2 2.86Å; H853-E856 WeakPolarHBondContact O-CB 3.45Å; H853-E856 PolarHBondContact O-N 2.94Å; E856-K858 PolarHBondContact O-N 3.4Å
857	Y	96.3	Very high	98	Very high	21 Å²	21	20.1 Å²	20.1	8%	0.082	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	6.7	174.2	-65.7	-50.5	0	0	0	114.6	K774 A777 Y778 H853 C854 K855 N859 F969 P971	K774-Y857 WeakPolarHBondContact CE-OH 3.46Å; K774-Y857 VanDerWaalsContact CG-OH 3.29Å; K774-Y857 WeakPolarHBondContact CG-OH 3.19Å; A777-Y857 HydrophobicContact CB-CD2 4.29Å; A777-Y857 HydrophobicContact CB-CE2 4.19Å; Y778-Y857 HydrophobicContact CD2-CE1 4.38Å; H853-Y857 HydrophobicContact CB-CE2 4.38Å; H853-Y857 WeakPolarHBondContact O-CD2 3.4Å; H853-Y857 PolarHBondContact O-N 3.19Å; C854-Y857 CarbonylContact O-C 3.52Å; C854-Y857 PolarHBondContact O-N 3Å; K855-Y857 VanDerWaalsContact C-N 3.3Å; K855-Y857 PolarHBondContact O-N 2.8Å; Y857-N859 PolarHBondContact O-N 3.04Å; Y857-F969 HydrophobicContact CD1-CE2 4.48Å; Y857-F969 HydrophobicContact CD1-CZ 4.18Å; Y857-F969 HydrophobicContact CG-CZ 4.29Å; Y857-P971 HydrophobicContact CD1-CB 4.41Å; Y857-P971 HydrophobicContact CE1-CB 4.16Å
858	K	97.5	Very high	97.9	Very high	52 Å²	52	21.1 Å²	21.1	23%	0.226	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	25.4	-175.8	-55.4	179.6	-76.4	173.6	0	113.1	C854 K855 E856 L860 L916 E917 P919 L920 I921	C854-K858 PolarHBondContact O-N 3.33Å; K855-K858 WeakPolarHBondContact O-CA 3.49Å; K855-K858 PolarHBondContact O-N 2.84Å; E856-K858 PolarHBondContact O-N 3.4Å; K858-L860 PolarHBondContact O-N 2.89Å; K858-L916 HydrophobicContact CD-CB 4.5Å; K858-L916 HydrophobicContact CD-CD2 4.31Å; K858-L916 HydrophobicContact CG-CD2 4.33Å; K858-E917 PolarHBondContact NZ-O 3.39Å; K858-P919 WeakPolarHBondContact CE-O 3.49Å; K858-P919 PolarHBondContact NZ-O 3.17Å; K858-L920 HydrophobicContact CB-CB 3.89Å; K858-I921 PolarHBondContact O-N 3.42Å
859	N	98.3	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-92.1	80.3	170.2	-177	-3.1	0	0	0	109.4	T781 D784 C854 Y857 N861 S862 F863	T781-N859 WeakPolarHBondContact CA-ND2 3.48Å; T781-N859 HydrophobicContact CG2-CB 3.78Å; T781-N859 PolarHBondContact OG1-ND2 3.19Å; T781-N859 VanDerWaalsContact OG1-ND2 3.11Å; D784-N859 PolarHBondContact OD2-ND2 3.48Å; C854-N859 WeakPolarHBondContact O-CA 3.29Å; C854-N859 PolarHBondContact O-N 2.67Å; Y857-N859 PolarHBondContact O-N 3.04Å; N859-N861 VanDerWaalsContact C-N 3.31Å; N859-S862 PolarHBondContact OD1-N 3.12Å; N859-S862 VanDerWaalsContact OD1-N 3.16Å; N859-F863 WeakPolarHBondContact O-CB 3.36Å; N859-F863 PolarHBondContact O-N 3.28Å
860	L	98.3	Very high	97.8	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-73.4	-26.5	-177.7	-57.8	-177.6	0	0	0	111.8	K855 K858 F864 Y909 V913 L916 I921	K855-L860 HydrophobicContact CG-CD2 4.25Å; K858-L860 PolarHBondContact O-N 2.89Å; L860-F864 HydrophobicContact CB-CD2 4.3Å; L860-F864 HydrophobicContact CB-CE2 4.24Å; L860-F864 WeakPolarHBondContact O-CD2 3.47Å; L860-F864 PolarHBondContact O-N 3.43Å; L860-Y909 HydrophobicContact CD1-CE2 3.9Å; L860-V913 HydrophobicContact CD1-CG2 3.45Å; L860-V913 VanDerWaalsContact CD1-CG2 3.45Å; L860-L916 HydrophobicContact CD1-CD1 3.96Å; L860-I921 WeakPolarHBondContact CB-O 3.37Å; L860-I921 PolarHBondContact N-O 3.48Å
861	N	98.3	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.1	-54.9	175.9	-164.5	65.2	0	0	0	111.7	F820 N859 F864 A865 I921 P922 M924	F820-N861 WeakPolarHBondContact CD2-O 3.36Å; F820-N861 VanDerWaalsContact CE2-O 3.28Å; F820-N861 WeakPolarHBondContact CE2-O 3.47Å; N859-N861 VanDerWaalsContact C-N 3.31Å; N861-F864 PolarHBondContact O-N 3.28Å; N861-A865 PolarHBondContact O-N 2.81Å; N861-I921 HydrophobicContact CB-CG2 3.72Å; N861-P922 VanDerWaalsContact CB-O 3.3Å; N861-P922 WeakPolarHBondContact CB-O 3.44Å; N861-M924 PolarHBondContact OD1-N 2.88Å
862	S	98.6	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-77.1	-28.9	-177.7	-67.9	0	0	0	0	113	D784 I823 N859 A865 I866	D784-S862 WeakPolarHBondContact OD2-CB 3.37Å; D784-S862 PolarHBondContact OD2-OG 3.39Å; I823-S862 WeakPolarHBondContact CD1-OG 3.47Å; N859-S862 PolarHBondContact OD1-N 3.12Å; N859-S862 VanDerWaalsContact OD1-N 3.16Å; S862-A865 PolarHBondContact O-N 3.4Å; S862-I866 VanDerWaalsContact O-CG1 3.29Å; S862-I866 WeakPolarHBondContact O-CG1 3.41Å; S862-I866 PolarHBondContact O-N 3.4Å; S862-I866 VanDerWaalsContact O-N 3.08Å
863	F	98.6	Very high	97.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.6	-55.4	166.9	165.5	-104	0	0	0	111	A851 C854 K855 N859 A865 I866 V867 F896 L899	A851-F863 HydrophobicContact CB-CD2 3.94Å; A851-F863 HydrophobicContact CB-CE2 4.37Å; A851-F863 WeakPolarHBondContact O-CD2 3.37Å; C854-F863 HydrophobicContact CB-CB 4.15Å; K855-F863 HydrophobicContact CB-CB 4.48Å; K855-F863 HydrophobicContact CB-CD2 3.81Å; K855-F863 HydrophobicContact CB-CE2 4.23Å; K855-F863 HydrophobicContact CB-CG 4.13Å; K855-F863 HydrophobicContact CD-CE2 4.13Å; K855-F863 HydrophobicContact CD-CZ 4.24Å; N859-F863 WeakPolarHBondContact O-CB 3.36Å; N859-F863 PolarHBondContact O-N 3.28Å; F863-A865 PolarHBondContact O-N 2.84Å; F863-I866 PolarHBondContact O-N 2.84Å; F863-V867 HydrophobicContact CD2-CG2 4.22Å; F863-V867 HydrophobicContact CE1-CG2 4.46Å; F863-V867 HydrophobicContact CE2-CG2 3.88Å; F863-V867 HydrophobicContact CZ-CG2 4.01Å; F863-V867 VanDerWaalsContact O-CG2 3.29Å; F863-V867 WeakPolarHBondContact O-CG2 3.3Å; F863-V867 PolarHBondContact O-N 3.28Å; F863-V867 VanDerWaalsContact O-N 3.07Å; F863-F896 HydrophobicContact CE2-CB 3.99Å; F863-F896 AromaticContact CE2-CD1 3.68Å; F863-F896 HydrophobicContact CE2-CD1 3.68Å; F863-F896 AromaticContact CE2-CD2 3.71Å; F863-F896 HydrophobicContact CE2-CD2 3.71Å; F863-F896 HydrophobicContact CE2-CE1 4.04Å; F863-F896 HydrophobicContact CE2-CE2 4.05Å; F863-F896 AromaticContact CE2-CG 3.51Å; F863-F896 HydrophobicContact CE2-CG 3.51Å; F863-F896 HydrophobicContact CE2-CZ 4.21Å; F863-F896 HydrophobicContact CZ-CB 3.72Å; F863-F896 AromaticContact CZ-CD1 3.81Å; F863-F896 HydrophobicContact CZ-CD1 3.81Å; F863-F896 HydrophobicContact CZ-CD2 4.32Å; F863-F896 AromaticContact CZ-CG 3.7Å; F863-F896 HydrophobicContact CZ-CG 3.7Å; F863-L899 HydrophobicContact CE1-CD2 4.41Å
864	F	98.2	Very high	96.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-35.8	-179.7	-76	-61.6	0	0	0	112.7	F820 L860 N861 I866 V867 M868 L899 M900 Y909 F923	F820-F864 HydrophobicContact CE2-CB 4.12Å; F820-F864 HydrophobicContact CZ-CB 4.42Å; L860-F864 HydrophobicContact CB-CD2 4.3Å; L860-F864 HydrophobicContact CB-CE2 4.24Å; L860-F864 WeakPolarHBondContact O-CD2 3.47Å; L860-F864 PolarHBondContact O-N 3.43Å; N861-F864 PolarHBondContact O-N 3.28Å; F864-I866 VanDerWaalsContact C-N 3.28Å; F864-I866 PolarHBondContact O-N 3.41Å; F864-V867 PolarHBondContact O-N 2.83Å; F864-M868 WeakPolarHBondContact O-CB 3.38Å; F864-M868 VanDerWaalsContact O-CG 3.29Å; F864-M868 WeakPolarHBondContact O-CG 3.25Å; F864-M868 PolarHBondContact O-N 2.78Å; F864-L899 HydrophobicContact CE1-CB 4.06Å; F864-L899 HydrophobicContact CZ-CB 4.12Å; F864-M900 HydrophobicContact CD1-CG 3.42Å; F864-M900 VanDerWaalsContact CD1-CG 3.42Å; F864-M900 HydrophobicContact CD1-SD 3.92Å; F864-M900 HydrophobicContact CE1-CB 4.44Å; F864-M900 HydrophobicContact CE1-CG 3.41Å; F864-M900 VanDerWaalsContact CE1-CG 3.41Å; F864-M900 HydrophobicContact CE1-SD 4.49Å; F864-Y909 AromaticContact CE2-CD2 3.5Å; F864-Y909 HydrophobicContact CE2-CD2 3.5Å; F864-Y909 AromaticContact CE2-CE2 3.83Å; F864-Y909 HydrophobicContact CE2-CE2 3.83Å; F864-Y909 AromaticContact CZ-CD2 3.84Å; F864-Y909 HydrophobicContact CZ-CD2 3.84Å; F864-F923 HydrophobicContact CB-CD2 3.88Å; F864-F923 HydrophobicContact CB-CE2 3.97Å; F864-F923 HydrophobicContact CB-CG 4.43Å; F864-F923 HydrophobicContact CD2-CB 3.73Å; F864-F923 HydrophobicContact CD2-CD1 4.12Å; F864-F923 AromaticContact CD2-CD2 3.95Å; F864-F923 HydrophobicContact CD2-CD2 3.95Å; F864-F923 AromaticContact CD2-CG 3.67Å; F864-F923 HydrophobicContact CD2-CG 3.67Å; F864-F923 HydrophobicContact CE2-CB 4.04Å; F864-F923 HydrophobicContact CE2-CD1 4.38Å; F864-F923 HydrophobicContact CE2-CG 4.22Å; F864-F923 HydrophobicContact CG-CD1 4.49Å; F864-F923 HydrophobicContact CG-CD2 4.15Å; F864-F923 HydrophobicContact CG-CE2 4.46Å; F864-F923 HydrophobicContact CG-CG 4.2Å
865	A	98.4	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.8	-42.7	174.9	0	0	0	0	0	111.8	F820 I823 Q824 N861 S862 F863 G869	F820-A865 HydrophobicContact CD2-CB 3.75Å; F820-A865 HydrophobicContact CE1-CB 4.43Å; F820-A865 HydrophobicContact CE2-CB 3.66Å; F820-A865 VanDerWaalsContact CE2-N 3.34Å; F820-A865 HydrophobicContact CG-CB 4.17Å; F820-A865 HydrophobicContact CZ-CB 4Å; I823-A865 HydrophobicContact CB-CB 3.81Å; I823-A865 HydrophobicContact CG2-CB 3.66Å; Q824-A865 WeakPolarHBondContact CA-O 3.25Å; N861-A865 PolarHBondContact O-N 2.81Å; S862-A865 PolarHBondContact O-N 3.4Å; F863-A865 PolarHBondContact O-N 2.84Å; A865-G869 PolarHBondContact O-N 3.17Å
866	I	98.8	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.8	-46.7	177.3	-65.9	165.1	0	0	0	111	M780 I823 V827 F847 I850 A851 S862 F863 F864 M868 G869 L870	M780-I866 HydrophobicContact CE-CD1 4.25Å; I823-I866 HydrophobicContact CG2-CG1 3.77Å; V827-I866 HydrophobicContact CG2-CB 4.33Å; V827-I866 HydrophobicContact CG2-CG1 4.21Å; V827-I866 HydrophobicContact CG2-CG2 4.08Å; F847-I866 HydrophobicContact CB-CG2 4Å; I850-I866 HydrophobicContact CB-CD1 4.22Å; I850-I866 HydrophobicContact CG2-CD1 3.59Å; A851-I866 HydrophobicContact CB-CB 4.17Å; A851-I866 HydrophobicContact CB-CD1 4.35Å; A851-I866 HydrophobicContact CB-CG2 3.89Å; S862-I866 VanDerWaalsContact O-CG1 3.29Å; S862-I866 WeakPolarHBondContact O-CG1 3.41Å; S862-I866 PolarHBondContact O-N 3.4Å; S862-I866 VanDerWaalsContact O-N 3.08Å; F863-I866 PolarHBondContact O-N 2.84Å; F864-I866 VanDerWaalsContact C-N 3.28Å; F864-I866 PolarHBondContact O-N 3.41Å; I866-M868 PolarHBondContact O-N 2.9Å; I866-G869 WeakPolarHBondContact O-CA 3.17Å; I866-G869 PolarHBondContact O-N 2.68Å; I866-G869 VanDerWaalsContact O-N 3.1Å; I866-L870 HydrophobicContact CG2-CD1 4.34Å; I866-L870 WeakPolarHBondContact O-CG 3.1Å; I866-L870 PolarHBondContact O-N 2.72Å
867	V	97.9	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-44.6	-179.5	-179.8	0	0	0	0	110.5	A851 F863 F864 G869 L870 S871 Y893 F896 M900	A851-V867 HydrophobicContact CB-CG2 4.47Å; F863-V867 HydrophobicContact CD2-CG2 4.22Å; F863-V867 HydrophobicContact CE1-CG2 4.46Å; F863-V867 HydrophobicContact CE2-CG2 3.88Å; F863-V867 HydrophobicContact CZ-CG2 4.01Å; F863-V867 VanDerWaalsContact O-CG2 3.29Å; F863-V867 WeakPolarHBondContact O-CG2 3.3Å; F863-V867 PolarHBondContact O-N 3.28Å; F863-V867 VanDerWaalsContact O-N 3.07Å; F864-V867 PolarHBondContact O-N 2.83Å; V867-G869 VanDerWaalsContact C-N 3.26Å; V867-G869 PolarHBondContact O-N 3.33Å; V867-L870 WeakPolarHBondContact O-CB 3.36Å; V867-L870 PolarHBondContact O-N 2.71Å; V867-S871 PolarHBondContact O-N 2.77Å; V867-S871 PolarHBondContact O-OG 2.78Å; V867-Y893 HydrophobicContact CG1-CE2 4.2Å; V867-F896 HydrophobicContact CG1-CB 4.2Å; V867-F896 HydrophobicContact CG2-CB 3.81Å; V867-F896 HydrophobicContact CG2-CD2 4.08Å; V867-F896 HydrophobicContact CG2-CG 4.32Å; V867-M900 HydrophobicContact CB-CE 4.49Å; V867-M900 HydrophobicContact CB-SD 4.1Å; V867-M900 HydrophobicContact CG1-CE 3.48Å; V867-M900 VanDerWaalsContact CG1-CE 3.48Å; V867-M900 HydrophobicContact CG1-SD 3.64Å
868	M	95.7	Very high	96.7	Very high	22 Å²	22	15.7 Å²	15.7	11%	0.108	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-29.4	174.6	-69.8	-175.1	66.4	0	0	113	H8 F820 Q824 F864 I866 N872 M900 F923	H8-M868 WeakPolarHBondContact NE2-CE 3.25Å; F820-M868 HydrophobicContact CE1-SD 3.89Å; F820-M868 HydrophobicContact CZ-SD 3.53Å; F820-M868 VanDerWaalsContact CZ-SD 3.53Å; Q824-M868 HydrophobicContact CG-CB 4.3Å; F864-M868 WeakPolarHBondContact O-CB 3.38Å; F864-M868 VanDerWaalsContact O-CG 3.29Å; F864-M868 WeakPolarHBondContact O-CG 3.25Å; F864-M868 PolarHBondContact O-N 2.78Å; I866-M868 PolarHBondContact O-N 2.9Å; M868-N872 PolarHBondContact O-N 3.07Å; M868-N872 VanDerWaalsContact O-N 3.14Å; M868-M900 HydrophobicContact CG-SD 3.59Å; M868-M900 VanDerWaalsContact CG-SD 3.59Å; M868-F923 HydrophobicContact SD-CE2 4.36Å; M868-F923 HydrophobicContact SD-CZ 4.12Å
869	G	97.8	Very high	96.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-38.4	171.1	0	0	0	0	0	112.1	V828 A865 I866 V867 N872	V828-G869 WeakPolarHBondContact CG2-O 3.38Å; A865-G869 PolarHBondContact O-N 3.17Å; I866-G869 WeakPolarHBondContact O-CA 3.17Å; I866-G869 PolarHBondContact O-N 2.68Å; I866-G869 VanDerWaalsContact O-N 3.1Å; V867-G869 VanDerWaalsContact C-N 3.26Å; V867-G869 PolarHBondContact O-N 3.33Å; G869-N872 VanDerWaalsContact O-CB 3.25Å; G869-N872 WeakPolarHBondContact O-CB 3.24Å; G869-N872 PolarHBondContact O-N 3.37Å
870	L	97.9	Very high	96.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-73	-35	175.8	-65.3	173.7	0	0	0	112.7	V827 I831 L844 F847 I848 I866 V867 N872 V875 W882 Y893	V827-L870 HydrophobicContact CG1-CD2 3.76Å; V827-L870 HydrophobicContact CG1-CG 4.07Å; I831-L870 HydrophobicContact CD1-CD2 3.85Å; L844-L870 HydrophobicContact CD2-CD2 3.67Å; F847-L870 HydrophobicContact CB-CD1 4.42Å; F847-L870 HydrophobicContact CB-CD2 4.21Å; I848-L870 HydrophobicContact CG1-CD1 3.82Å; I866-L870 HydrophobicContact CG2-CD1 4.34Å; I866-L870 WeakPolarHBondContact O-CG 3.1Å; I866-L870 PolarHBondContact O-N 2.72Å; V867-L870 WeakPolarHBondContact O-CB 3.36Å; V867-L870 PolarHBondContact O-N 2.71Å; L870-N872 PolarHBondContact O-N 3.39Å; L870-V875 HydrophobicContact CD2-CG1 4.5Å; L870-V875 WeakPolarHBondContact O-CG1 3.38Å; L870-W882 HydrophobicContact CB-CH2 4.29Å; L870-W882 HydrophobicContact CB-CZ2 4.39Å; L870-Y893 HydrophobicContact CB-CD2 4.37Å; L870-Y893 HydrophobicContact CB-CE2 3.49Å; L870-Y893 VanDerWaalsContact CB-CE2 3.49Å; L870-Y893 HydrophobicContact CD1-CD2 3.88Å; L870-Y893 HydrophobicContact CD1-CE2 3.79Å; L870-Y893 HydrophobicContact CG-CE2 4.3Å
871	S	94.9	Very high	96.5	Very high	31 Å²	31	19.6 Å²	19.6	22%	0.217	12%	0.115	C	C	.	.	H	α-helix	trans	-74.7	-11.2	173.9	-59.1	0	0	0	0	113.2	V867 V873 S876 Y893 E897	V867-S871 PolarHBondContact O-N 2.77Å; V867-S871 PolarHBondContact O-OG 2.78Å; S871-V873 PolarHBondContact O-N 3.06Å; S871-S876 PolarHBondContact O-OG 2.81Å; S871-Y893 WeakPolarHBondContact CA-OH 3.47Å; S871-Y893 PolarHBondContact N-OH 2.9Å; S871-Y893 PolarHBondContact OG-OH 3.14Å; S871-E897 PolarHBondContact OG-OE1 2.8Å; S871-E897 VanDerWaalsContact OG-OE1 3.08Å
872	N	95	Very high	96.5	Very high	19 Å²	19	21.4 Å²	21.4	10%	0.102	12%	0.122	C	C	.	.	S	Bend	trans	-55.1	140.3	179.9	-176.1	-76.7	0	0	0	110.9	V828 M868 G869 L870 A874 V875 S876 Q996	V828-N872 HydrophobicContact CG2-CB 3.62Å; M868-N872 PolarHBondContact O-N 3.07Å; M868-N872 VanDerWaalsContact O-N 3.14Å; G869-N872 VanDerWaalsContact O-CB 3.25Å; G869-N872 WeakPolarHBondContact O-CB 3.24Å; G869-N872 PolarHBondContact O-N 3.37Å; L870-N872 PolarHBondContact O-N 3.39Å; N872-A874 PolarHBondContact O-N 2.83Å; N872-A874 WeakPolarHBondContact OD1-CB 3.4Å; N872-A874 PolarHBondContact OD1-N 3.01Å; N872-V875 CarbonylContact O-C 3.51Å; N872-V875 WeakPolarHBondContact O-CA 3.47Å; N872-V875 PolarHBondContact O-N 2.79Å; N872-S876 PolarHBondContact O-N 2.76Å; N872-S876 PolarHBondContact O-OG 3.25Å; N872-Q996 PolarHBondContact ND2-OE1 3.06Å; N872-Q996 PolarHBondContact OD1-NE2 3.01Å
873	V	91	Very high	96.3	Very high	80 Å²	80	27.9 Å²	27.9	49%	0.485	15%	0.152	S	C	.	.	H	α-helix	trans	-54.9	-29.9	-176.5	177.2	0	0	0	0	113.8	S871 V875 S876 R877	S871-V873 PolarHBondContact O-N 3.06Å; V873-V875 VanDerWaalsContact C-N 3.34Å; V873-S876 WeakPolarHBondContact CA-OG 3.43Å; V873-R877 WeakPolarHBondContact O-CG 3.2Å; V873-R877 PolarHBondContact O-NE 2.65Å
874	A	91.7	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-73.9	-23.7	175.7	0	0	0	0	0	112.8	V828 N872 L999 S1003	V828-A874 HydrophobicContact CG1-CB 4.06Å; N872-A874 PolarHBondContact O-N 2.83Å; N872-A874 WeakPolarHBondContact OD1-CB 3.4Å; N872-A874 PolarHBondContact OD1-N 3.01Å; A874-L999 HydrophobicContact CB-CB 4.27Å; A874-S1003 WeakPolarHBondContact O-CB 3.32Å; A874-S1003 PolarHBondContact O-OG 3.23Å
875	V	97.8	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-98.3	-46	179.4	-179.8	0	0	0	0	111.4	V828 I831 L844 L870 N872 V873 R877 L878 W882	V828-V875 HydrophobicContact CB-CG2 4.36Å; V828-V875 HydrophobicContact CG1-CG2 4.07Å; V828-V875 HydrophobicContact CG2-CG2 4.23Å; I831-V875 HydrophobicContact CB-CG2 4.31Å; I831-V875 HydrophobicContact CD1-CG1 3.72Å; I831-V875 HydrophobicContact CD1-CG2 4.01Å; I831-V875 HydrophobicContact CG2-CG1 4.3Å; I831-V875 HydrophobicContact CG2-CG2 4.2Å; L844-V875 HydrophobicContact CD2-CG1 4.08Å; L870-V875 HydrophobicContact CD2-CG1 4.5Å; L870-V875 WeakPolarHBondContact O-CG1 3.38Å; N872-V875 CarbonylContact O-C 3.51Å; N872-V875 WeakPolarHBondContact O-CA 3.47Å; N872-V875 PolarHBondContact O-N 2.79Å; V873-V875 VanDerWaalsContact C-N 3.34Å; V875-R877 PolarHBondContact O-N 2.84Å; V875-L878 WeakPolarHBondContact O-CB 3.39Å; V875-L878 PolarHBondContact O-N 2.73Å; V875-L878 VanDerWaalsContact O-N 3.16Å; V875-W882 HydrophobicContact CG1-CZ2 4.11Å; V875-W882 PolarHBondContact O-NE1 3.1Å
876	S	94	Very high	96.1	Very high	58 Å²	58	37.4 Å²	37.4	41%	0.406	20%	0.199	S	C	.	.	H	α-helix	trans	-63.9	-26.6	-176.9	59.3	0	0	0	0	113.3	S871 N872 V873 L878	S871-S876 PolarHBondContact O-OG 2.81Å; N872-S876 PolarHBondContact O-N 2.76Å; N872-S876 PolarHBondContact O-OG 3.25Å; V873-S876 WeakPolarHBondContact CA-OG 3.43Å; S876-L878 VanDerWaalsContact C-N 3.29Å; S876-L878 PolarHBondContact O-N 3.06Å
877	R	95.3	Very high	95.7	Very high	63 Å²	63	42.1 Å²	42.1	24%	0.238	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.6	176.5	78.2	176.1	49.8	-108.6	-15.6	115.4	V873 V875 A879 S1003 H1004 R1009	V873-R877 WeakPolarHBondContact O-CG 3.2Å; V873-R877 PolarHBondContact O-NE 2.65Å; V875-R877 PolarHBondContact O-N 2.84Å; R877-A879 PolarHBondContact O-N 2.71Å; R877-S1003 WeakPolarHBondContact CD-OG 3.33Å; R877-S1003 WeakPolarHBondContact CG-OG 3.37Å; R877-H1004 PolarHBondContact NH1-NE2 2.76Å; R877-H1004 VanDerWaalsContact NH1-NE2 3.18Å; R877-R1009 PolarHBondContact O-NH2 2.72Å; R877-R1009 VanDerWaalsContact O-NH2 3.12Å
878	L	96.5	Very high	95.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.26	C	S	.	.			trans	-74.1	66.7	-174.7	-61	176.2	0	0	0	111	I831 V875 S876 L880 T881 W882 S1003 L1006 E1007	I831-L878 HydrophobicContact CG2-CD1 3.75Å; V875-L878 WeakPolarHBondContact O-CB 3.39Å; V875-L878 PolarHBondContact O-N 2.73Å; V875-L878 VanDerWaalsContact O-N 3.16Å; S876-L878 VanDerWaalsContact C-N 3.29Å; S876-L878 PolarHBondContact O-N 3.06Å; L878-L880 VanDerWaalsContact C-N 3.29Å; L878-L880 PolarHBondContact O-N 3.22Å; L878-T881 WeakPolarHBondContact O-CB 3.11Å; L878-T881 PolarHBondContact O-N 2.95Å; L878-W882 VanDerWaalsContact O-CD1 3.26Å; L878-W882 PolarHBondContact O-N 3.17Å; L878-S1003 WeakPolarHBondContact CD2-OG 3.49Å; L878-L1006 HydrophobicContact CD2-CB 4.41Å; L878-E1007 VanDerWaalsContact CA-OE2 3.23Å; L878-E1007 WeakPolarHBondContact CA-OE2 3.16Å; L878-E1007 HydrophobicContact CD2-CB 3.95Å; L878-E1007 HydrophobicContact CD2-CG 3.9Å
879	A	95.9	Very high	95.4	Very high	42 Å²	42	48.3 Å²	48.3	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-39.4	-172.1	0	0	0	0	0	112.6	R877 T881 W882 E883 E1007	R877-A879 PolarHBondContact O-N 2.71Å; A879-T881 PolarHBondContact O-N 3.44Å; A879-W882 PolarHBondContact O-N 3.08Å; A879-E883 VanDerWaalsContact O-CB 3.22Å; A879-E883 WeakPolarHBondContact O-CB 3.29Å; A879-E883 PolarHBondContact O-N 3.1Å; A879-E1007 PolarHBondContact N-OE2 3.43Å
880	L	96.8	Very high	95	Very high	93 Å²	93	52.4 Å²	52.4	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-32.6	179.7	-58.4	174.3	0	0	0	111.2	L837 L878 K884 E1007	L837-L880 HydrophobicContact CD1-CB 4.43Å; L878-L880 VanDerWaalsContact C-N 3.29Å; L878-L880 PolarHBondContact O-N 3.22Å; L880-K884 WeakPolarHBondContact O-CG 3.35Å; L880-E1007 WeakPolarHBondContact CB-OE2 3.38Å; L880-E1007 HydrophobicContact CD1-CG 4.34Å; L880-E1007 PolarHBondContact N-OE2 3.4Å
881	T	97.9	Very high	94.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-71.7	-47	175.4	-55.9	0	0	0	0	110.9	L837 R840 V841 L844 L878 A879 E1007	L837-T881 WeakPolarHBondContact CD1-OG1 3.35Å; R840-T881 HydrophobicContact CB-CG2 3.69Å; R840-T881 PolarHBondContact NE-OG1 3.28Å; R840-T881 PolarHBondContact NH2-OG1 2.65Å; V841-T881 HydrophobicContact CG2-CG2 3.98Å; L844-T881 HydrophobicContact CD1-CG2 3.61Å; L844-T881 HydrophobicContact CG-CG2 4.15Å; L878-T881 WeakPolarHBondContact O-CB 3.11Å; L878-T881 PolarHBondContact O-N 2.95Å; A879-T881 PolarHBondContact O-N 3.44Å; T881-E1007 PolarHBondContact N-OE1 3.18Å; T881-E1007 PolarHBondContact OG1-OE1 3.09Å
882	W	97.4	Very high	94.4	Very high	38 Å²	38	59 Å²	59	14%	0.144	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-39.1	179.2	-76	105.1	0	0	0	113	L844 L870 V875 L878 A879 K884 L885 K890 Y893	L844-W882 HydrophobicContact CD1-CD2 3.82Å; L844-W882 HydrophobicContact CD1-CE3 3.96Å; L844-W882 HydrophobicContact CD1-CG 4.3Å; L844-W882 HydrophobicContact CD1-CH2 4.49Å; L844-W882 HydrophobicContact CD1-CZ2 4.36Å; L844-W882 HydrophobicContact CD1-CZ3 4.29Å; L844-W882 HydrophobicContact CD2-CH2 4.18Å; L844-W882 HydrophobicContact CD2-CZ2 3.93Å; L870-W882 HydrophobicContact CB-CH2 4.29Å; L870-W882 HydrophobicContact CB-CZ2 4.39Å; V875-W882 HydrophobicContact CG1-CZ2 4.11Å; V875-W882 PolarHBondContact O-NE1 3.1Å; L878-W882 VanDerWaalsContact O-CD1 3.26Å; L878-W882 PolarHBondContact O-N 3.17Å; A879-W882 PolarHBondContact O-N 3.08Å; W882-K884 VanDerWaalsContact C-N 3.3Å; W882-K884 PolarHBondContact O-N 3.27Å; W882-L885 HydrophobicContact CE3-CD2 3.95Å; W882-L885 HydrophobicContact CZ3-CD2 3.93Å; W882-L885 VanDerWaalsContact O-CB 3.23Å; W882-L885 WeakPolarHBondContact O-CB 3.48Å; W882-L885 PolarHBondContact O-N 3.09Å; W882-L885 VanDerWaalsContact O-N 3.11Å; W882-K890 WeakPolarHBondContact O-CE 3.49Å; W882-Y893 AromaticContact CH2-CD1 3.83Å; W882-Y893 HydrophobicContact CH2-CD1 3.83Å; W882-Y893 HydrophobicContact CH2-CD2 4.12Å; W882-Y893 AromaticContact CH2-CE1 3.72Å; W882-Y893 HydrophobicContact CH2-CE1 3.72Å; W882-Y893 HydrophobicContact CH2-CE2 4.01Å; W882-Y893 HydrophobicContact CH2-CG 4.01Å; W882-Y893 AromaticContact CH2-CZ 3.79Å; W882-Y893 HydrophobicContact CZ2-CE1 4.45Å; W882-Y893 AromaticContact CZ3-CD1 3.75Å; W882-Y893 HydrophobicContact CZ3-CD1 3.75Å; W882-Y893 HydrophobicContact CZ3-CE1 4.06Å; W882-Y893 AromaticContact CZ3-CG 3.98Å; W882-Y893 HydrophobicContact CZ3-CG 3.98Å
883	E	95.1	Very high	94.3	Very high	135 Å²	135	59 Å²	59	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-58.6	-43.1	179.5	-171.6	-173.6	166.6	0	0	111.4	A879 L885 K890	A879-E883 VanDerWaalsContact O-CB 3.22Å; A879-E883 WeakPolarHBondContact O-CB 3.29Å; A879-E883 PolarHBondContact O-N 3.1Å; E883-L885 VanDerWaalsContact C-N 3.26Å; E883-L885 PolarHBondContact O-N 3.17Å; E883-K890 PolarHBondContact O-NZ 3.29Å
884	K	97.3	Very high	94.2	Very high	137 Å²	137	56.8 Å²	56.8	60%	0.596	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-4.5	179.6	-69.2	-171.6	178.9	-170.7	0	114.6	L837 V841 L880 W882	L837-K884 HydrophobicContact CD2-CD 4.07Å; V841-K884 HydrophobicContact CG2-CB 3.91Å; L880-K884 WeakPolarHBondContact O-CG 3.35Å; W882-K884 VanDerWaalsContact C-N 3.3Å; W882-K884 PolarHBondContact O-N 3.27Å
885	L	97.6	Very high	94	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.296	C	S	.	.	S	Bend	trans	-68.7	132.7	174.4	-172.7	69.3	0	0	0	109.9	V841 L844 K845 I848 W882 E883 S887 F889 K890	V841-L885 HydrophobicContact CG1-CD1 4.35Å; L844-L885 HydrophobicContact CB-CD1 4.03Å; K845-L885 HydrophobicContact CB-CD1 4.2Å; I848-L885 HydrophobicContact CD1-CD2 3.85Å; W882-L885 HydrophobicContact CE3-CD2 3.95Å; W882-L885 HydrophobicContact CZ3-CD2 3.93Å; W882-L885 VanDerWaalsContact O-CB 3.23Å; W882-L885 WeakPolarHBondContact O-CB 3.48Å; W882-L885 PolarHBondContact O-N 3.09Å; W882-L885 VanDerWaalsContact O-N 3.11Å; E883-L885 VanDerWaalsContact C-N 3.26Å; E883-L885 PolarHBondContact O-N 3.17Å; L885-S887 PolarHBondContact O-N 3.16Å; L885-F889 HydrophobicContact CD1-CB 4.02Å; L885-F889 HydrophobicContact CD2-CB 3.94Å; L885-F889 HydrophobicContact CG-CB 3.91Å; L885-K890 HydrophobicContact CB-CG 4.24Å; L885-K890 HydrophobicContact CD2-CG 4.04Å; L885-K890 HydrophobicContact CG-CG 4.34Å; L885-K890 WeakPolarHBondContact O-CE 3.07Å
886	P	96.4	Very high	93.8	Very high	61 Å²	61	58.6 Å²	58.6	40%	0.396	30%	0.298	S	S	.	.			trans	-58.4	139.5	177.6	-23.2	32.9	0	0	0	112	K888 F889 K890	P886-K888 PolarHBondContact O-N 3.5Å; P886-K888 VanDerWaalsContact O-N 3.09Å; P886-F889 HydrophobicContact CB-CD2 4.17Å; P886-F889 HydrophobicContact CG-CD2 4.31Å; P886-F889 PolarHBondContact O-N 3.4Å; P886-K890 PolarHBondContact O-N 2.98Å
887	S	89.4	Confident	93.6	Very high	99 Å²	99	59.9 Å²	59.9	69%	0.692	30%	0.298	S	S	*	.	H	α-helix	trans	-51.1	-37.9	-175.3	55.1	0	0	0	0	113.8	L885 F889 K890 K891	L885-S887 PolarHBondContact O-N 3.16Å; S887-F889 VanDerWaalsContact C-N 3.27Å; S887-F889 PolarHBondContact O-N 2.99Å; S887-K890 WeakPolarHBondContact O-CB 3.28Å; S887-K890 PolarHBondContact O-N 2.82Å; S887-K891 PolarHBondContact O-N 3.29Å
888	K	91.8	Very high	93.1	Very high	133 Å²	133	57.3 Å²	57.3	58%	0.578	29%	0.289	S	S	*	.	H	α-helix	trans	-51.4	-43.2	173.3	179.1	174.8	178.8	170.6	0	113.2	P886 F892	P886-K888 PolarHBondContact O-N 3.5Å; P886-K888 VanDerWaalsContact O-N 3.09Å; K888-F892 HydrophobicContact CG-CE2 4.14Å; K888-F892 HydrophobicContact CG-CZ 4.45Å; K888-F892 PolarHBondContact O-N 3.19Å
889	F	95.1	Very high	92.8	Very high	20 Å²	20	57.7 Å²	57.7	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-82.7	-29.3	-178.6	-67.4	-78	0	0	0	112.4	K845 I848 K849 L885 P886 S887 K891 F892 Y893	K845-F889 HydrophobicContact CD-CD2 4.19Å; K845-F889 HydrophobicContact CD-CE2 3.71Å; K845-F889 HydrophobicContact CD-CZ 4Å; K845-F889 HydrophobicContact CG-CD1 4.14Å; K845-F889 HydrophobicContact CG-CD2 3.98Å; K845-F889 HydrophobicContact CG-CE1 3.88Å; K845-F889 HydrophobicContact CG-CE2 3.72Å; K845-F889 HydrophobicContact CG-CG 4.21Å; K845-F889 HydrophobicContact CG-CZ 3.67Å; I848-F889 HydrophobicContact CB-CD1 4.44Å; I848-F889 HydrophobicContact CD1-CB 4.15Å; I848-F889 HydrophobicContact CG2-CD1 3.98Å; K849-F889 HydrophobicContact CD-CE1 4.4Å; K849-F889 HydrophobicContact CG-CE1 3.85Å; L885-F889 HydrophobicContact CD1-CB 4.02Å; L885-F889 HydrophobicContact CD2-CB 3.94Å; L885-F889 HydrophobicContact CG-CB 3.91Å; P886-F889 HydrophobicContact CB-CD2 4.17Å; P886-F889 HydrophobicContact CG-CD2 4.31Å; P886-F889 PolarHBondContact O-N 3.4Å; S887-F889 VanDerWaalsContact C-N 3.27Å; S887-F889 PolarHBondContact O-N 2.99Å; F889-K891 VanDerWaalsContact C-N 3.31Å; F889-F892 HydrophobicContact CD1-CD2 4.17Å; F889-F892 HydrophobicContact CE1-CD2 4.46Å; F889-F892 PolarHBondContact O-N 2.71Å; F889-Y893 WeakPolarHBondContact O-CB 3.49Å; F889-Y893 PolarHBondContact O-N 3.23Å
890	K	90.9	Very high	92.3	Very high	85 Å²	85	57.3 Å²	57.3	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-58.3	-46.3	167.8	-67.5	-178.4	177	172	0	110.6	W882 E883 L885 P886 S887 Y893 A894	W882-K890 WeakPolarHBondContact O-CE 3.49Å; E883-K890 PolarHBondContact O-NZ 3.29Å; L885-K890 HydrophobicContact CB-CG 4.24Å; L885-K890 HydrophobicContact CD2-CG 4.04Å; L885-K890 HydrophobicContact CG-CG 4.34Å; L885-K890 WeakPolarHBondContact O-CE 3.07Å; P886-K890 PolarHBondContact O-N 2.98Å; S887-K890 WeakPolarHBondContact O-CB 3.28Å; S887-K890 PolarHBondContact O-N 2.82Å; K890-Y893 PolarHBondContact O-N 3.24Å; K890-A894 PolarHBondContact O-N 3.18Å
891	K	87.4	Confident	91.7	Very high	95 Å²	95	54 Å²	54	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-49.7	176.4	-172.4	178.1	179.1	-178.6	0	112.4	S887 F889 Y893 A894 E895	S887-K891 PolarHBondContact O-N 3.29Å; F889-K891 VanDerWaalsContact C-N 3.31Å; K891-Y893 VanDerWaalsContact C-N 3.29Å; K891-Y893 PolarHBondContact O-N 3.16Å; K891-A894 PolarHBondContact O-N 3.22Å; K891-E895 VanDerWaalsContact CE-OE1 3.24Å; K891-E895 WeakPolarHBondContact CE-OE1 3.46Å; K891-E895 WeakPolarHBondContact O-CG 3.46Å; K891-E895 PolarHBondContact O-N 3.09Å
892	F	92	Very high	91	Very high	74 Å²	74	58 Å²	58	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-58.5	-40.8	176.1	-73.1	-25	0	0	0	112.8	I848 K888 F889 E895 F896	I848-F892 HydrophobicContact CG2-CB 4.02Å; K888-F892 HydrophobicContact CG-CE2 4.14Å; K888-F892 HydrophobicContact CG-CZ 4.45Å; K888-F892 PolarHBondContact O-N 3.19Å; F889-F892 HydrophobicContact CD1-CD2 4.17Å; F889-F892 HydrophobicContact CE1-CD2 4.46Å; F889-F892 PolarHBondContact O-N 2.71Å; F892-E895 PolarHBondContact O-N 3.38Å; F892-F896 HydrophobicContact CB-CZ 4.41Å; F892-F896 WeakPolarHBondContact O-CD1 3.29Å; F892-F896 WeakPolarHBondContact O-CG 3.34Å; F892-F896 PolarHBondContact O-N 3.15Å
893	Y	93.8	Very high	90.1	Very high	21 Å²	21	58.3 Å²	58.3	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-67.5	-44.2	178.9	179.5	-103.7	0	0	0	112.4	I848 V867 L870 S871 W882 F889 K890 K891 E895 F896 E897	I848-Y893 HydrophobicContact CG1-CD2 4.41Å; V867-Y893 HydrophobicContact CG1-CE2 4.2Å; L870-Y893 HydrophobicContact CB-CD2 4.37Å; L870-Y893 HydrophobicContact CB-CE2 3.49Å; L870-Y893 VanDerWaalsContact CB-CE2 3.49Å; L870-Y893 HydrophobicContact CD1-CD2 3.88Å; L870-Y893 HydrophobicContact CD1-CE2 3.79Å; L870-Y893 HydrophobicContact CG-CE2 4.3Å; S871-Y893 WeakPolarHBondContact CA-OH 3.47Å; S871-Y893 PolarHBondContact N-OH 2.9Å; S871-Y893 PolarHBondContact OG-OH 3.14Å; W882-Y893 AromaticContact CH2-CD1 3.83Å; W882-Y893 HydrophobicContact CH2-CD1 3.83Å; W882-Y893 HydrophobicContact CH2-CD2 4.12Å; W882-Y893 AromaticContact CH2-CE1 3.72Å; W882-Y893 HydrophobicContact CH2-CE1 3.72Å; W882-Y893 HydrophobicContact CH2-CE2 4.01Å; W882-Y893 HydrophobicContact CH2-CG 4.01Å; W882-Y893 AromaticContact CH2-CZ 3.79Å; W882-Y893 HydrophobicContact CZ2-CE1 4.45Å; W882-Y893 AromaticContact CZ3-CD1 3.75Å; W882-Y893 HydrophobicContact CZ3-CD1 3.75Å; W882-Y893 HydrophobicContact CZ3-CE1 4.06Å; W882-Y893 AromaticContact CZ3-CG 3.98Å; W882-Y893 HydrophobicContact CZ3-CG 3.98Å; F889-Y893 WeakPolarHBondContact O-CB 3.49Å; F889-Y893 PolarHBondContact O-N 3.23Å; K890-Y893 PolarHBondContact O-N 3.24Å; K891-Y893 VanDerWaalsContact C-N 3.29Å; K891-Y893 PolarHBondContact O-N 3.16Å; Y893-E895 VanDerWaalsContact C-N 3.32Å; Y893-E895 PolarHBondContact O-N 2.97Å; Y893-F896 WeakPolarHBondContact O-CA 3.35Å; Y893-F896 WeakPolarHBondContact O-CB 3.41Å; Y893-F896 PolarHBondContact O-N 3.23Å; Y893-E897 PolarHBondContact O-N 2.83Å
894	A	88.2	Confident	89.5	Confident	32 Å²	32	53.8 Å²	53.8	26%	0.264	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-41.6	175.1	0	0	0	0	0	112	Q313 K890 K891 F896 E897 S898	Q313-A894 HydrophobicContact CG-CB 4.37Å; K890-A894 PolarHBondContact O-N 3.18Å; K891-A894 PolarHBondContact O-N 3.22Å; A894-F896 VanDerWaalsContact C-N 3.33Å; A894-F896 PolarHBondContact O-N 3.4Å; A894-E897 PolarHBondContact O-N 2.79Å; A894-S898 PolarHBondContact O-N 2.87Å
895	E	88.3	Confident	89	Confident	28 Å²	28	50.9 Å²	50.9	13%	0.131	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-43.8	170.9	-73.3	172.5	-160.9	0	0	111.3	P250 K891 F892 Y893 S898 L899	P250-E895 HydrophobicContact CG-CB 4.38Å; P250-E895 HydrophobicContact CG-CG 4.02Å; K891-E895 VanDerWaalsContact CE-OE1 3.24Å; K891-E895 WeakPolarHBondContact CE-OE1 3.46Å; K891-E895 WeakPolarHBondContact O-CG 3.46Å; K891-E895 PolarHBondContact O-N 3.09Å; F892-E895 PolarHBondContact O-N 3.38Å; Y893-E895 VanDerWaalsContact C-N 3.32Å; Y893-E895 PolarHBondContact O-N 2.97Å; E895-S898 PolarHBondContact O-N 3.25Å; E895-S898 PolarHBondContact O-OG 3.02Å; E895-L899 WeakPolarHBondContact O-CD1 3.29Å
896	F	93.1	Very high	88.6	Confident	10 Å²	10	51.8 Å²	51.8	4%	0.044	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-40.3	177.9	-63.1	-9	0	0	0	113	I848 A851 A852 F863 V867 F892 Y893 A894 L899	I848-F896 HydrophobicContact CG2-CE2 3.95Å; A851-F896 HydrophobicContact CB-CD2 4.33Å; A851-F896 HydrophobicContact CB-CE2 4.03Å; A852-F896 HydrophobicContact CB-CE2 4.43Å; A852-F896 HydrophobicContact CB-CZ 3.87Å; F863-F896 HydrophobicContact CE2-CB 3.99Å; F863-F896 AromaticContact CE2-CD1 3.68Å; F863-F896 HydrophobicContact CE2-CD1 3.68Å; F863-F896 AromaticContact CE2-CD2 3.71Å; F863-F896 HydrophobicContact CE2-CD2 3.71Å; F863-F896 HydrophobicContact CE2-CE1 4.04Å; F863-F896 HydrophobicContact CE2-CE2 4.05Å; F863-F896 AromaticContact CE2-CG 3.51Å; F863-F896 HydrophobicContact CE2-CG 3.51Å; F863-F896 HydrophobicContact CE2-CZ 4.21Å; F863-F896 HydrophobicContact CZ-CB 3.72Å; F863-F896 AromaticContact CZ-CD1 3.81Å; F863-F896 HydrophobicContact CZ-CD1 3.81Å; F863-F896 HydrophobicContact CZ-CD2 4.32Å; F863-F896 AromaticContact CZ-CG 3.7Å; F863-F896 HydrophobicContact CZ-CG 3.7Å; V867-F896 HydrophobicContact CG1-CB 4.2Å; V867-F896 HydrophobicContact CG2-CB 3.81Å; V867-F896 HydrophobicContact CG2-CD2 4.08Å; V867-F896 HydrophobicContact CG2-CG 4.32Å; F892-F896 HydrophobicContact CB-CZ 4.41Å; F892-F896 WeakPolarHBondContact O-CD1 3.29Å; F892-F896 WeakPolarHBondContact O-CG 3.34Å; F892-F896 PolarHBondContact O-N 3.15Å; Y893-F896 WeakPolarHBondContact O-CA 3.35Å; Y893-F896 WeakPolarHBondContact O-CB 3.41Å; Y893-F896 PolarHBondContact O-N 3.23Å; A894-F896 VanDerWaalsContact C-N 3.33Å; A894-F896 PolarHBondContact O-N 3.4Å; F896-L899 WeakPolarHBondContact O-CB 3.39Å; F896-L899 PolarHBondContact O-N 2.85Å
897	E	88.6	Confident	88.2	Confident	86 Å²	86	51.6 Å²	51.6	40%	0.402	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-38.7	179.1	-169.5	159.9	-131	0	0	111.8	S871 Y893 A894 L899 M900	S871-E897 PolarHBondContact OG-OE1 2.8Å; S871-E897 VanDerWaalsContact OG-OE1 3.08Å; Y893-E897 PolarHBondContact O-N 2.83Å; A894-E897 PolarHBondContact O-N 2.79Å; E897-L899 PolarHBondContact O-N 3.45Å; E897-M900 HydrophobicContact CG-CE 4.07Å; E897-M900 WeakPolarHBondContact O-CA 3.4Å; E897-M900 WeakPolarHBondContact O-CB 3.5Å; E897-M900 PolarHBondContact O-N 3.48Å
898	S	86.5	Confident	88.2	Confident	8 Å²	8	47.9 Å²	47.9	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-23.9	174.3	71	0	0	0	0	114.3	A894 E895 M900 D901	A894-S898 PolarHBondContact O-N 2.87Å; E895-S898 PolarHBondContact O-N 3.25Å; E895-S898 PolarHBondContact O-OG 3.02Å; S898-M900 PolarHBondContact O-N 3.47Å; S898-D901 WeakPolarHBondContact O-CB 3.35Å; S898-D901 PolarHBondContact O-N 2.95Å
899	L	89.3	Confident	88.2	Confident	9 Å²	9	42.1 Å²	42.1	5%	0.047	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.9	172.9	-86.1	85.3	0	0	0	112.8	F863 F864 E895 F896 E897 T912	F863-L899 HydrophobicContact CE1-CD2 4.41Å; F864-L899 HydrophobicContact CE1-CB 4.06Å; F864-L899 HydrophobicContact CZ-CB 4.12Å; E895-L899 WeakPolarHBondContact O-CD1 3.29Å; F896-L899 WeakPolarHBondContact O-CB 3.39Å; F896-L899 PolarHBondContact O-N 2.85Å; E897-L899 PolarHBondContact O-N 3.45Å; L899-T912 HydrophobicContact CD2-CG2 4Å
900	M	86.4	Confident	88.1	Confident	35 Å²	35	45.2 Å²	45.2	17%	0.172	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.7	177.8	-62.1	-166.9	-54.1	0	0	113.3	F864 V867 M868 E897 S898 P902	F864-M900 HydrophobicContact CD1-CG 3.42Å; F864-M900 VanDerWaalsContact CD1-CG 3.42Å; F864-M900 HydrophobicContact CD1-SD 3.92Å; F864-M900 HydrophobicContact CE1-CB 4.44Å; F864-M900 HydrophobicContact CE1-CG 3.41Å; F864-M900 VanDerWaalsContact CE1-CG 3.41Å; F864-M900 HydrophobicContact CE1-SD 4.49Å; V867-M900 HydrophobicContact CB-CE 4.49Å; V867-M900 HydrophobicContact CB-SD 4.1Å; V867-M900 HydrophobicContact CG1-CE 3.48Å; V867-M900 VanDerWaalsContact CG1-CE 3.48Å; V867-M900 HydrophobicContact CG1-SD 3.64Å; M868-M900 HydrophobicContact CG-SD 3.59Å; M868-M900 VanDerWaalsContact CG-SD 3.59Å; E897-M900 HydrophobicContact CG-CE 4.07Å; E897-M900 WeakPolarHBondContact O-CA 3.4Å; E897-M900 WeakPolarHBondContact O-CB 3.5Å; E897-M900 PolarHBondContact O-N 3.48Å; S898-M900 PolarHBondContact O-N 3.47Å; M900-P902 WeakPolarHBondContact O-CD 3.49Å; M900-P902 VanDerWaalsContact O-N 3.13Å
901	D	83	Confident	87.9	Confident	24 Å²	24	43.2 Å²	43.2	13%	0.128	22%	0.217	C	C	.	.			trans	-51	118	-177.1	-178.2	4	0	0	0	111	L317 Q321 S898 S903 H906	L317-D901 HydrophobicContact CD1-CB 4.49Å; Q321-D901 PolarHBondContact NE2-OD2 3.02Å; S898-D901 WeakPolarHBondContact O-CB 3.35Å; S898-D901 PolarHBondContact O-N 2.95Å; D901-S903 PolarHBondContact O-N 3.02Å; D901-S903 WeakPolarHBondContact OD1-CB 3.46Å; D901-S903 PolarHBondContact OD1-N 2.98Å; D901-S903 PolarHBondContact OD1-OG 3.39Å; D901-S903 PolarHBondContact OD2-OG 3.25Å; D901-H906 WeakPolarHBondContact O-CA 3.39Å
902	P	83.4	Confident	88	Confident	84 Å²	84	39.8 Å²	39.8	55%	0.545	20%	0.204	S	C	.	.			trans	-74	-11.7	-179.4	31.2	-36.3	0	0	0	113.5	M900 N905 H906	M900-P902 WeakPolarHBondContact O-CD 3.49Å; M900-P902 VanDerWaalsContact O-N 3.13Å; P902-N905 PolarHBondContact O-N 3.02Å; P902-H906 PolarHBondContact O-N 3.39Å; P902-H906 VanDerWaalsContact O-N 3.1Å
903	S	79.5	Confident	88.1	Confident	44 Å²	44	36.6 Å²	36.6	31%	0.308	19%	0.191	S	C	.	.	H	α-helix	trans	-52.6	139.1	-177.8	-59.1	0	0	0	0	111.9	D901 N905 H906 R907	D901-S903 PolarHBondContact O-N 3.02Å; D901-S903 WeakPolarHBondContact OD1-CB 3.46Å; D901-S903 PolarHBondContact OD1-N 2.98Å; D901-S903 PolarHBondContact OD1-OG 3.39Å; D901-S903 PolarHBondContact OD2-OG 3.25Å; S903-N905 PolarHBondContact O-N 2.93Å; S903-H906 PolarHBondContact O-N 3.23Å; S903-R907 PolarHBondContact O-N 3.13Å
904	R	82.3	Confident	87.9	Confident	40 Å²	40	39.5 Å²	39.5	15%	0.151	22%	0.22	C	C	.	.	H	α-helix	trans	51.9	44.2	179.8	-67.5	147	166	-80.2	-3	112.3	Q321 D325 E350 H353 R907	Q321-R904 PolarHBondContact O-NE 3Å; D325-R904 IonicContact OD1-NH2 3.34Å; D325-R904 PolarHBondContact OD1-NH2 3.49Å; D325-R904 IonicContact OD2-CZ 2.65Å; D325-R904 IonicContact OD2-NH2 2.96Å; D325-R904 PolarHBondContact OD2-NH2 2.92Å; E350-R904 IonicContact OE1-CZ 3.01Å; E350-R904 IonicContact OE1-NH1 3.19Å; E350-R904 PolarHBondContact OE1-NH1 3.3Å; E350-R904 IonicContact OE2-CZ 2.83Å; E350-R904 IonicContact OE2-NH1 2.88Å; E350-R904 PolarHBondContact OE2-NH1 3.42Å; E350-R904 IonicContact OE2-NH2 3.84Å; E350-R904 PolarHBondContact OE2-NH2 3.27Å; H353-R904 PolarHBondContact CE1-O 3.05Å; R904-R907 HydrophobicContact CB-CB 4.04Å
905	N	86.7	Confident	88	Confident	77 Å²	77	44 Å²	44	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	57.2	54.4	-178.7	-172.3	14.6	0	0	0	113	P902 S903 R907 R910	P902-N905 PolarHBondContact O-N 3.02Å; S903-N905 PolarHBondContact O-N 2.93Å; N905-R907 PolarHBondContact O-N 3.36Å; N905-R910 VanDerWaalsContact CG-NH2 3.35Å; N905-R910 PolarHBondContact ND2-NH2 3.09Å; N905-R910 VanDerWaalsContact ND2-NH2 3.15Å; N905-R910 PolarHBondContact O-NE 3.45Å; N905-R910 PolarHBondContact OD1-NH2 3.5Å
906	H	88.8	Confident	88.1	Confident	22 Å²	22	44.8 Å²	44.8	10%	0.102	24%	0.238	C	C	.	.	H	α-helix	trans	56.8	44.1	179.8	-61.9	-92	0	0	0	113.8	D901 P902 S903 A908 Y909 R910 L926	D901-H906 WeakPolarHBondContact O-CA 3.39Å; P902-H906 PolarHBondContact O-N 3.39Å; P902-H906 VanDerWaalsContact O-N 3.1Å; S903-H906 PolarHBondContact O-N 3.23Å; H906-A908 VanDerWaalsContact C-N 3.28Å; H906-A908 PolarHBondContact O-N 2.98Å; H906-Y909 PolarHBondContact O-N 2.76Å; H906-Y909 VanDerWaalsContact O-N 3.14Å; H906-R910 WeakPolarHBondContact O-CG 3.45Å; H906-R910 PolarHBondContact O-N 3.18Å; H906-L926 HydrophobicContact CB-CD2 3.61Å; H906-L926 WeakPolarHBondContact CD2-CD1 3.22Å
907	R	88.1	Confident	88.1	Confident	57 Å²	57	50 Å²	50	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-54.9	-41.1	-176.6	-176.5	176.7	178.5	87.7	-1	112.6	E349 S903 R904 N905 Y909 R910 L911	E349-R907 IonicContact OE2-CZ 3.91Å; E349-R907 VanDerWaalsContact OE2-CZ 3.31Å; E349-R907 IonicContact OE2-NH1 2.69Å; E349-R907 PolarHBondContact OE2-NH1 3.04Å; E349-R907 IonicContact OE2-NH2 2.79Å; E349-R907 PolarHBondContact OE2-NH2 3.48Å; S903-R907 PolarHBondContact O-N 3.13Å; R904-R907 HydrophobicContact CB-CB 4.04Å; N905-R907 PolarHBondContact O-N 3.36Å; R907-Y909 VanDerWaalsContact C-N 3.35Å; R907-Y909 PolarHBondContact O-N 3.09Å; R907-R910 PolarHBondContact O-N 3.04Å; R907-L911 HydrophobicContact CG-CD1 3.79Å; R907-L911 HydrophobicContact CG-CG 4.04Å; R907-L911 WeakPolarHBondContact O-CB 3.28Å; R907-L911 WeakPolarHBondContact O-CG 3.43Å; R907-L911 PolarHBondContact O-N 3.42Å
908	A	88.3	Confident	88.4	Confident	21 Å²	21	46.7 Å²	46.7	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-44.3	179.1	0	0	0	0	0	112.6	H906 T912	H906-A908 VanDerWaalsContact C-N 3.28Å; H906-A908 PolarHBondContact O-N 2.98Å; A908-T912 WeakPolarHBondContact O-CB 3.44Å; A908-T912 PolarHBondContact O-N 2.98Å; A908-T912 PolarHBondContact O-OG1 3.08Å
909	Y	92.6	Very high	88.9	Confident	13 Å²	13	47.4 Å²	47.4	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-49.3	173.2	165.2	-105.2	0	0	0	111.6	L860 F864 H906 R907 L911 T912 V913 F923 L926	L860-Y909 HydrophobicContact CD1-CE2 3.9Å; F864-Y909 AromaticContact CE2-CD2 3.5Å; F864-Y909 HydrophobicContact CE2-CD2 3.5Å; F864-Y909 AromaticContact CE2-CE2 3.83Å; F864-Y909 HydrophobicContact CE2-CE2 3.83Å; F864-Y909 AromaticContact CZ-CD2 3.84Å; F864-Y909 HydrophobicContact CZ-CD2 3.84Å; H906-Y909 PolarHBondContact O-N 2.76Å; H906-Y909 VanDerWaalsContact O-N 3.14Å; R907-Y909 VanDerWaalsContact C-N 3.35Å; R907-Y909 PolarHBondContact O-N 3.09Å; Y909-L911 PolarHBondContact O-N 3.32Å; Y909-T912 WeakPolarHBondContact O-CB 3.41Å; Y909-T912 PolarHBondContact O-N 3.04Å; Y909-T912 VanDerWaalsContact O-N 3.08Å; Y909-V913 HydrophobicContact CD2-CG2 3.79Å; Y909-V913 HydrophobicContact CE1-CG2 4.15Å; Y909-V913 HydrophobicContact CE2-CG2 3.25Å; Y909-V913 HydrophobicContact CG-CG2 4.43Å; Y909-V913 VanDerWaalsContact CZ-CG2 3.46Å; Y909-V913 WeakPolarHBondContact O-CG2 2.79Å; Y909-V913 PolarHBondContact O-N 2.96Å; Y909-F923 HydrophobicContact CD2-CB 4.28Å; Y909-F923 HydrophobicContact CE1-CB 4.34Å; Y909-F923 HydrophobicContact CE2-CB 3.57Å; Y909-F923 PolarHBondContact OH-N 3.23Å; Y909-L926 HydrophobicContact CD1-CD2 3.38Å; Y909-L926 HydrophobicContact CE1-CD2 3.67Å; Y909-L926 HydrophobicContact CG-CD2 4.21Å
910	R	92.3	Very high	89.3	Confident	85 Å²	85	47 Å²	47	32%	0.321	25%	0.25	S	S	.	.	H	α-helix	trans	-60.6	-43.9	-176.7	-66.8	-171.9	-169.1	-83.3	-3	112.2	N905 H906 R907 T912 V913 A914 D930	N905-R910 VanDerWaalsContact CG-NH2 3.35Å; N905-R910 PolarHBondContact ND2-NH2 3.09Å; N905-R910 VanDerWaalsContact ND2-NH2 3.15Å; N905-R910 PolarHBondContact O-NE 3.45Å; N905-R910 PolarHBondContact OD1-NH2 3.5Å; H906-R910 WeakPolarHBondContact O-CG 3.45Å; H906-R910 PolarHBondContact O-N 3.18Å; R907-R910 PolarHBondContact O-N 3.04Å; R910-T912 VanDerWaalsContact C-N 3.31Å; R910-T912 PolarHBondContact O-N 3.37Å; R910-V913 PolarHBondContact O-N 2.98Å; R910-A914 WeakPolarHBondContact O-CB 3.42Å; R910-A914 PolarHBondContact O-N 3.06Å; R910-D930 IonicContact CZ-OD1 3.15Å; R910-D930 IonicContact CZ-OD2 2.78Å; R910-D930 IonicContact NH1-OD2 2.7Å; R910-D930 PolarHBondContact NH1-OD2 3.25Å; R910-D930 IonicContact NH2-OD1 2.67Å; R910-D930 PolarHBondContact NH2-OD1 2.9Å; R910-D930 IonicContact NH2-OD2 3.84Å; R910-D930 PolarHBondContact NH2-OD2 3.45Å
911	L	88.4	Confident	89.8	Confident	42 Å²	42	45.3 Å²	45.3	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-35.2	175.2	-69.2	176.5	0	0	0	112.4	H253 R907 Y909	H253-L911 HydrophobicContact CB-CB 4.32Å; H253-L911 HydrophobicContact CB-CD1 4.34Å; R907-L911 HydrophobicContact CG-CD1 3.79Å; R907-L911 HydrophobicContact CG-CG 4.04Å; R907-L911 WeakPolarHBondContact O-CB 3.28Å; R907-L911 WeakPolarHBondContact O-CG 3.43Å; R907-L911 PolarHBondContact O-N 3.42Å; Y909-L911 PolarHBondContact O-N 3.32Å
912	T	89.6	Confident	90.5	Very high	23 Å²	23	44.1 Å²	44.1	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-47.2	175.2	-59.8	0	0	0	0	110.7	H253 L899 A908 Y909 R910 K915 L916	H253-T912 PolarHBondContact NE2-OG1 3.42Å; L899-T912 HydrophobicContact CD2-CG2 4Å; A908-T912 WeakPolarHBondContact O-CB 3.44Å; A908-T912 PolarHBondContact O-N 2.98Å; A908-T912 PolarHBondContact O-OG1 3.08Å; Y909-T912 WeakPolarHBondContact O-CB 3.41Å; Y909-T912 PolarHBondContact O-N 3.04Å; Y909-T912 VanDerWaalsContact O-N 3.08Å; R910-T912 VanDerWaalsContact C-N 3.31Å; R910-T912 PolarHBondContact O-N 3.37Å; T912-K915 PolarHBondContact O-N 3.29Å; T912-L916 WeakPolarHBondContact O-CG 3.41Å
913	V	92.4	Very high	91.2	Very high	8 Å²	8	41 Å²	41	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-37.8	-179.1	176.4	0	0	0	0	112.7	L860 Y909 R910 K915 L916 L920 Y964	L860-V913 HydrophobicContact CD1-CG2 3.45Å; L860-V913 VanDerWaalsContact CD1-CG2 3.45Å; Y909-V913 HydrophobicContact CD2-CG2 3.79Å; Y909-V913 HydrophobicContact CE1-CG2 4.15Å; Y909-V913 HydrophobicContact CE2-CG2 3.25Å; Y909-V913 HydrophobicContact CG-CG2 4.43Å; Y909-V913 VanDerWaalsContact CZ-CG2 3.46Å; Y909-V913 WeakPolarHBondContact O-CG2 2.79Å; Y909-V913 PolarHBondContact O-N 2.96Å; R910-V913 PolarHBondContact O-N 2.98Å; V913-K915 PolarHBondContact O-N 3.28Å; V913-K915 VanDerWaalsContact O-N 3.07Å; V913-L916 PolarHBondContact O-N 3.29Å; V913-L920 HydrophobicContact CG1-CD1 4.35Å; V913-Y964 HydrophobicContact CG1-CE1 3.87Å; V913-Y964 WeakPolarHBondContact CG1-OH 3.46Å
914	A	90.1	Very high	92	Very high	82 Å²	82	39 Å²	39	68%	0.678	20%	0.199	S	C	*	.	H	α-helix	trans	-60.2	-19.4	178.4	0	0	0	0	0	113.6	R910	R910-A914 WeakPolarHBondContact O-CB 3.42Å; R910-A914 PolarHBondContact O-N 3.06Å
915	K	89.4	Confident	92.6	Very high	126 Å²	126	38.4 Å²	38.4	55%	0.548	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.2	175.6	-68.4	179.9	171.6	-170	0	114.2	H253 T912 V913	H253-K915 WeakPolarHBondContact O-CE 3.21Å; H253-K915 PolarHBondContact O-NZ 3.07Å; T912-K915 PolarHBondContact O-N 3.29Å; V913-K915 PolarHBondContact O-N 3.28Å; V913-K915 VanDerWaalsContact O-N 3.07Å
916	L	92.1	Very high	92.8	Very high	45 Å²	45	34.9 Å²	34.9	24%	0.236	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-99.4	131.8	-177.5	-62.1	177.1	0	0	0	109.8	K858 L860 T912 V913 L920	K858-L916 HydrophobicContact CD-CB 4.5Å; K858-L916 HydrophobicContact CD-CD2 4.31Å; K858-L916 HydrophobicContact CG-CD2 4.33Å; L860-L916 HydrophobicContact CD1-CD1 3.96Å; T912-L916 WeakPolarHBondContact O-CG 3.41Å; V913-L916 PolarHBondContact O-N 3.29Å; L916-L920 HydrophobicContact CB-CD2 4.24Å
917	E	92.7	Very high	93.1	Very high	119 Å²	119	34.4 Å²	34.4	56%	0.556	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-90	151.7	171.1	-66.2	-60.4	148.2	0	0	111.3	K858 Y963	K858-E917 PolarHBondContact NZ-O 3.39Å; E917-Y963 PolarHBondContact OE2-OH 3.46Å
918	P	95.2	Very high	93.4	Very high	16 Å²	16	31.8 Å²	31.8	10%	0.104	17%	0.171	C	C	.	.	S	Bend	trans	-51.3	150.4	167.3	-26	34.7	0	0	0	111.8	Y963 Q967	P918-Y963 WeakPolarHBondContact CB-O 3.48Å; P918-Y963 VanDerWaalsContact CD-OH 3.29Å; P918-Y963 WeakPolarHBondContact CD-OH 3.46Å; P918-Y963 HydrophobicContact CG-CD1 4.13Å; P918-Y963 HydrophobicContact CG-CD2 3.92Å; P918-Y963 HydrophobicContact CG-CE1 3.83Å; P918-Y963 HydrophobicContact CG-CE2 3.6Å; P918-Y963 HydrophobicContact CG-CG 4.18Å; P918-Y963 WeakPolarHBondContact CG-O 3.49Å; P918-Q967 HydrophobicContact CB-CB 4.1Å; P918-Q967 HydrophobicContact CB-CG 3.97Å
919	P	96.3	Very high	93.5	Very high	23 Å²	23	35 Å²	35	15%	0.149	18%	0.18	C	C	.	.	S	Bend	cis	-74.1	135.7	-1.7	30	-36.2	0	0	0	112.3	W785 K858 Q967 F969	W785-P919 HydrophobicContact CH2-CB 3.82Å; W785-P919 HydrophobicContact CZ2-CB 3.5Å; W785-P919 VanDerWaalsContact CZ2-CB 3.5Å; K858-P919 WeakPolarHBondContact CE-O 3.49Å; K858-P919 PolarHBondContact NZ-O 3.17Å; P919-Q967 HydrophobicContact CB-CB 4.35Å; P919-Q967 WeakPolarHBondContact CB-O 3.12Å; P919-F969 HydrophobicContact CB-CB 4.33Å; P919-F969 HydrophobicContact CG-CB 4.49Å; P919-F969 HydrophobicContact CG-CD2 4.31Å
920	L	96.9	Very high	93.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.			trans	-147	152.8	172.2	75.6	104.1	0	0	0	112.8	K858 V913 L916 P922 Y964	K858-L920 HydrophobicContact CB-CB 3.89Å; V913-L920 HydrophobicContact CG1-CD1 4.35Å; L916-L920 HydrophobicContact CB-CD2 4.24Å; L920-P922 HydrophobicContact CD1-CB 4.49Å; L920-Y964 HydrophobicContact CD1-CD1 3.54Å; L920-Y964 HydrophobicContact CD1-CD2 4Å; L920-Y964 HydrophobicContact CD1-CE1 3.81Å; L920-Y964 HydrophobicContact CD1-CE2 4.23Å; L920-Y964 HydrophobicContact CD1-CG 3.64Å; L920-Y964 HydrophobicContact CD2-CD1 3.46Å; L920-Y964 VanDerWaalsContact CD2-CD1 3.46Å; L920-Y964 HydrophobicContact CD2-CE1 3.87Å; L920-Y964 HydrophobicContact CD2-CG 4.22Å; L920-Y964 HydrophobicContact CG-CD1 3.55Å; L920-Y964 HydrophobicContact CG-CE1 4.19Å; L920-Y964 HydrophobicContact CG-CG 3.79Å; L920-Y964 PolarHBondContact N-O 2.93Å
921	I	98.4	Very high	93.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-110.5	117.7	172.2	-52.7	-177.5	0	0	0	108.4	D784 W785 F788 F816 K858 L860 N861	D784-I921 HydrophobicContact CB-CD1 3.72Å; W785-I921 HydrophobicContact CD2-CD1 4.14Å; W785-I921 HydrophobicContact CD2-CG1 4.1Å; W785-I921 HydrophobicContact CG-CD1 3.9Å; W785-I921 HydrophobicContact CG-CG1 4.38Å; W785-I921 HydrophobicContact CZ2-CG1 3.96Å; F788-I921 HydrophobicContact CD1-CG1 4.26Å; F788-I921 HydrophobicContact CD1-CG2 4.39Å; F816-I921 HydrophobicContact CE1-CG2 4.43Å; F816-I921 HydrophobicContact CZ-CG2 3.67Å; K858-I921 PolarHBondContact O-N 3.42Å; L860-I921 WeakPolarHBondContact CB-O 3.37Å; L860-I921 PolarHBondContact N-O 3.48Å; N861-I921 HydrophobicContact CB-CG2 3.72Å
922	P	97.8	Very high	93.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.			trans	-77.2	172.7	-174.3	35	-39.6	0	0	0	112.8	F788 N861 L920 M924 L927 Y964	F788-P922 HydrophobicContact CZ-CG 4.22Å; N861-P922 VanDerWaalsContact CB-O 3.3Å; N861-P922 WeakPolarHBondContact CB-O 3.44Å; L920-P922 HydrophobicContact CD1-CB 4.49Å; P922-M924 VanDerWaalsContact C-N 3.35Å; P922-M924 HydrophobicContact CG-CG 4.42Å; P922-M924 HydrophobicContact CG-SD 3.63Å; P922-M924 PolarHBondContact O-N 3.19Å; P922-L927 HydrophobicContact CG-CD1 4.31Å; P922-Y964 HydrophobicContact CB-CD2 3.67Å; P922-Y964 HydrophobicContact CB-CE2 3.47Å; P922-Y964 VanDerWaalsContact CB-CE2 3.47Å; P922-Y964 HydrophobicContact CG-CD2 3.6Å; P922-Y964 HydrophobicContact CG-CE2 3.88Å
923	F	97.6	Very high	93.1	Very high	19 Å²	19	35.5 Å²	35.5	8%	0.083	19%	0.186	C	C	.	.			trans	-75.4	88.2	169.7	-178	-150.8	0	0	0	109.4	F820 F864 M868 Y909 P925 L926 L927	F820-F923 AromaticContact CE2-CD2 3.92Å; F820-F923 HydrophobicContact CE2-CD2 3.92Å; F820-F923 AromaticContact CE2-CE2 3.58Å; F820-F923 HydrophobicContact CE2-CE2 3.58Å; F820-F923 HydrophobicContact CZ-CD2 4.42Å; F820-F923 AromaticContact CZ-CE2 3.63Å; F820-F923 HydrophobicContact CZ-CE2 3.63Å; F864-F923 HydrophobicContact CB-CD2 3.88Å; F864-F923 HydrophobicContact CB-CE2 3.97Å; F864-F923 HydrophobicContact CB-CG 4.43Å; F864-F923 HydrophobicContact CD2-CB 3.73Å; F864-F923 HydrophobicContact CD2-CD1 4.12Å; F864-F923 AromaticContact CD2-CD2 3.95Å; F864-F923 HydrophobicContact CD2-CD2 3.95Å; F864-F923 AromaticContact CD2-CG 3.67Å; F864-F923 HydrophobicContact CD2-CG 3.67Å; F864-F923 HydrophobicContact CE2-CB 4.04Å; F864-F923 HydrophobicContact CE2-CD1 4.38Å; F864-F923 HydrophobicContact CE2-CG 4.22Å; F864-F923 HydrophobicContact CG-CD1 4.49Å; F864-F923 HydrophobicContact CG-CD2 4.15Å; F864-F923 HydrophobicContact CG-CE2 4.46Å; F864-F923 HydrophobicContact CG-CG 4.2Å; M868-F923 HydrophobicContact SD-CE2 4.36Å; M868-F923 HydrophobicContact SD-CZ 4.12Å; Y909-F923 HydrophobicContact CD2-CB 4.28Å; Y909-F923 HydrophobicContact CE1-CB 4.34Å; Y909-F923 HydrophobicContact CE2-CB 3.57Å; Y909-F923 PolarHBondContact OH-N 3.23Å; F923-P925 HydrophobicContact CD2-CB 4.5Å; F923-P925 HydrophobicContact CD2-CG 4.18Å; F923-P925 HydrophobicContact CE2-CB 3.9Å; F923-P925 HydrophobicContact CE2-CG 3.72Å; F923-P925 HydrophobicContact CZ-CB 4.23Å; F923-P925 HydrophobicContact CZ-CG 4.5Å; F923-L926 HydrophobicContact CD1-CB 3.45Å; F923-L926 VanDerWaalsContact CD1-CB 3.45Å; F923-L926 HydrophobicContact CD1-CD2 3.98Å; F923-L926 HydrophobicContact CD1-CG 4.39Å; F923-L926 HydrophobicContact CE1-CB 3.77Å; F923-L926 HydrophobicContact CE1-CD2 4.48Å; F923-L926 HydrophobicContact CG-CB 4.11Å; F923-L926 PolarHBondContact O-N 2.87Å; F923-L927 PolarHBondContact O-N 3.48Å
924	M	96.4	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-41	-169.9	-71.3	-62.8	-61.8	0	0	115.2	F788 L796 L813 F816 L817 N861 P922 L926 L927 I928	F788-M924 HydrophobicContact CD2-SD 4.43Å; F788-M924 HydrophobicContact CE2-CE 4.47Å; F788-M924 HydrophobicContact CE2-SD 3.85Å; L796-M924 HydrophobicContact CD2-CE 4.34Å; L813-M924 HydrophobicContact CD1-CE 4.07Å; F816-M924 HydrophobicContact CD1-CE 4.29Å; F816-M924 HydrophobicContact CD1-CG 3.94Å; F816-M924 HydrophobicContact CD1-SD 4.49Å; F816-M924 HydrophobicContact CE1-CB 4.5Å; F816-M924 HydrophobicContact CE1-CE 4.31Å; F816-M924 HydrophobicContact CE1-CG 3.33Å; F816-M924 HydrophobicContact CE1-SD 3.92Å; F816-M924 HydrophobicContact CZ-CG 4.07Å; L817-M924 HydrophobicContact CD2-CB 3.94Å; N861-M924 PolarHBondContact OD1-N 2.88Å; P922-M924 VanDerWaalsContact C-N 3.35Å; P922-M924 HydrophobicContact CG-CG 4.42Å; P922-M924 HydrophobicContact CG-SD 3.63Å; P922-M924 PolarHBondContact O-N 3.19Å; M924-L926 VanDerWaalsContact C-N 3.27Å; M924-L926 PolarHBondContact O-N 3.35Å; M924-L927 WeakPolarHBondContact O-CB 3.3Å; M924-L927 PolarHBondContact O-N 2.84Å; M924-L927 VanDerWaalsContact O-N 3.1Å; M924-I928 WeakPolarHBondContact O-CG1 3.4Å; M924-I928 PolarHBondContact O-N 3.25Å
925	P	93.7	Very high	92.9	Very high	28 Å²	28	34.8 Å²	34.8	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-54.6	-41	175.8	-29.6	36.5	0	0	0	113.7	F820 F923 I928 K929	F820-P925 HydrophobicContact CD1-CG 3.97Å; F820-P925 HydrophobicContact CD2-CG 3.97Å; F820-P925 HydrophobicContact CE1-CG 4.15Å; F820-P925 HydrophobicContact CE2-CG 4.13Å; F820-P925 HydrophobicContact CG-CG 3.89Å; F820-P925 HydrophobicContact CZ-CG 4.24Å; F923-P925 HydrophobicContact CD2-CB 4.5Å; F923-P925 HydrophobicContact CD2-CG 4.18Å; F923-P925 HydrophobicContact CE2-CB 3.9Å; F923-P925 HydrophobicContact CE2-CG 3.72Å; F923-P925 HydrophobicContact CZ-CB 4.23Å; F923-P925 HydrophobicContact CZ-CG 4.5Å; P925-I928 PolarHBondContact O-N 2.92Å; P925-K929 WeakPolarHBondContact O-CB 3.28Å; P925-K929 PolarHBondContact O-N 2.96Å
926	L	92.4	Very high	92.6	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-69.5	-37.4	176.8	178.6	58.7	0	0	0	112	H906 Y909 F923 M924 I928 K929 D930	H906-L926 HydrophobicContact CB-CD2 3.61Å; H906-L926 WeakPolarHBondContact CD2-CD1 3.22Å; Y909-L926 HydrophobicContact CD1-CD2 3.38Å; Y909-L926 HydrophobicContact CE1-CD2 3.67Å; Y909-L926 HydrophobicContact CG-CD2 4.21Å; F923-L926 HydrophobicContact CD1-CB 3.45Å; F923-L926 VanDerWaalsContact CD1-CB 3.45Å; F923-L926 HydrophobicContact CD1-CD2 3.98Å; F923-L926 HydrophobicContact CD1-CG 4.39Å; F923-L926 HydrophobicContact CE1-CB 3.77Å; F923-L926 HydrophobicContact CE1-CD2 4.48Å; F923-L926 HydrophobicContact CG-CB 4.11Å; F923-L926 PolarHBondContact O-N 2.87Å; M924-L926 VanDerWaalsContact C-N 3.27Å; M924-L926 PolarHBondContact O-N 3.35Å; L926-I928 PolarHBondContact O-N 3.42Å; L926-K929 HydrophobicContact CD1-CD 4.2Å; L926-K929 WeakPolarHBondContact O-CB 3.44Å; L926-K929 PolarHBondContact O-N 3.48Å; L926-D930 PolarHBondContact O-N 3.49Å
927	L	94.3	Very high	91.9	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-42.4	175.2	-170.2	149.7	0	0	0	111.8	L796 P922 F923 M924 K929 D930 M931 T957 V961	L796-L927 HydrophobicContact CD2-CD2 4.44Å; P922-L927 HydrophobicContact CG-CD1 4.31Å; F923-L927 PolarHBondContact O-N 3.48Å; M924-L927 WeakPolarHBondContact O-CB 3.3Å; M924-L927 PolarHBondContact O-N 2.84Å; M924-L927 VanDerWaalsContact O-N 3.1Å; L927-K929 VanDerWaalsContact C-N 3.32Å; L927-D930 WeakPolarHBondContact O-CB 3.28Å; L927-D930 PolarHBondContact O-N 2.76Å; L927-M931 HydrophobicContact CD2-CG 4.5Å; L927-M931 HydrophobicContact CD2-SD 3.97Å; L927-M931 WeakPolarHBondContact O-CG 3.32Å; L927-M931 PolarHBondContact O-N 2.85Å; L927-M931 VanDerWaalsContact O-N 3.16Å; L927-T957 HydrophobicContact CD1-CG2 4.26Å; L927-T957 HydrophobicContact CD2-CG2 3.68Å; L927-T957 HydrophobicContact CG-CG2 3.6Å; L927-V961 HydrophobicContact CD1-CG2 3.49Å; L927-V961 VanDerWaalsContact CD1-CG2 3.49Å; L927-V961 HydrophobicContact CD2-CG2 4.07Å; L927-V961 HydrophobicContact CG-CG2 4.45Å
928	I	95	Very high	91.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-36.6	174.7	-63.2	-58.1	0	0	0	111.4	L796 L813 L817 M924 P925 L926 M931 T932	L796-I928 HydrophobicContact CD2-CD1 3.84Å; L813-I928 HydrophobicContact CD1-CD1 4.24Å; L813-I928 HydrophobicContact CD2-CD1 4.26Å; L817-I928 HydrophobicContact CD1-CG1 4.12Å; L817-I928 HydrophobicContact CD2-CG1 3.93Å; M924-I928 WeakPolarHBondContact O-CG1 3.4Å; M924-I928 PolarHBondContact O-N 3.25Å; P925-I928 PolarHBondContact O-N 2.92Å; L926-I928 PolarHBondContact O-N 3.42Å; I928-M931 PolarHBondContact O-N 3.29Å; I928-T932 WeakPolarHBondContact O-CB 3.39Å; I928-T932 PolarHBondContact O-N 3.09Å; I928-T932 PolarHBondContact O-OG1 3.17Å
929	K	89.8	Confident	91.2	Very high	87 Å²	87	39.8 Å²	39.8	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-59.3	-49.4	172	-174.3	-177	174.1	-174.1	0	110.5	P925 L926 L927 M931 T932 F933	P925-K929 WeakPolarHBondContact O-CB 3.28Å; P925-K929 PolarHBondContact O-N 2.96Å; L926-K929 HydrophobicContact CD1-CD 4.2Å; L926-K929 WeakPolarHBondContact O-CB 3.44Å; L926-K929 PolarHBondContact O-N 3.48Å; L927-K929 VanDerWaalsContact C-N 3.32Å; K929-M931 VanDerWaalsContact C-N 3.3Å; K929-M931 PolarHBondContact O-N 3.14Å; K929-T932 PolarHBondContact O-N 3.38Å; K929-T932 VanDerWaalsContact O-N 3.11Å; K929-F933 HydrophobicContact CD-CD2 4.36Å; K929-F933 HydrophobicContact CD-CE2 4.02Å; K929-F933 HydrophobicContact CG-CD2 3.41Å; K929-F933 VanDerWaalsContact CG-CD2 3.41Å; K929-F933 HydrophobicContact CG-CE2 3.43Å; K929-F933 VanDerWaalsContact CG-CE2 3.43Å; K929-F933 WeakPolarHBondContact O-CB 3.37Å; K929-F933 VanDerWaalsContact O-CD2 3.31Å; K929-F933 WeakPolarHBondContact O-CD2 3.35Å; K929-F933 PolarHBondContact O-N 3.4Å
930	D	89.9	Confident	91	Very high	31 Å²	31	40 Å²	40	17%	0.166	21%	0.209	C	C	.	.	H	α-helix	trans	-54.3	-46.1	177.9	-73.4	-9.2	0	0	0	111.9	R910 L926 L927 T934	R910-D930 IonicContact CZ-OD1 3.15Å; R910-D930 IonicContact CZ-OD2 2.78Å; R910-D930 IonicContact NH1-OD2 2.7Å; R910-D930 PolarHBondContact NH1-OD2 3.25Å; R910-D930 IonicContact NH2-OD1 2.67Å; R910-D930 PolarHBondContact NH2-OD1 2.9Å; R910-D930 IonicContact NH2-OD2 3.84Å; R910-D930 PolarHBondContact NH2-OD2 3.45Å; L926-D930 PolarHBondContact O-N 3.49Å; L927-D930 WeakPolarHBondContact O-CB 3.28Å; L927-D930 PolarHBondContact O-N 2.76Å; D930-T934 VanDerWaalsContact O-CB 3.3Å; D930-T934 WeakPolarHBondContact O-CB 3.37Å; D930-T934 PolarHBondContact O-N 3.46Å; D930-T934 PolarHBondContact O-OG1 3.14Å
931	M	93.3	Very high	90.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-40.1	178.3	-62.2	-177.5	75.8	0	0	112.6	L796 I797 T800 L927 I928 K929 T934 H935 I954 T957	L796-M931 HydrophobicContact CB-CE 3.73Å; L796-M931 HydrophobicContact CB-SD 3.89Å; L796-M931 HydrophobicContact CD2-SD 4.46Å; I797-M931 HydrophobicContact CD1-CE 4.07Å; T800-M931 HydrophobicContact CG2-CB 4.13Å; T800-M931 WeakPolarHBondContact CG2-O 3.45Å; T800-M931 WeakPolarHBondContact OG1-CB 3.49Å; L927-M931 HydrophobicContact CD2-CG 4.5Å; L927-M931 HydrophobicContact CD2-SD 3.97Å; L927-M931 WeakPolarHBondContact O-CG 3.32Å; L927-M931 PolarHBondContact O-N 2.85Å; L927-M931 VanDerWaalsContact O-N 3.16Å; I928-M931 PolarHBondContact O-N 3.29Å; K929-M931 VanDerWaalsContact C-N 3.3Å; K929-M931 PolarHBondContact O-N 3.14Å; M931-T934 PolarHBondContact O-N 2.8Å; M931-H935 WeakPolarHBondContact O-CB 3.49Å; M931-H935 PolarHBondContact O-N 3.27Å; M931-I954 HydrophobicContact CB-CD1 4.42Å; M931-I954 HydrophobicContact CE-CG2 3.66Å; M931-I954 WeakPolarHBondContact O-CD1 3.33Å; M931-T957 HydrophobicContact CG-CG2 3.54Å; M931-T957 HydrophobicContact SD-CG2 4.06Å
932	T	87.4	Confident	90.2	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.172	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-49	179.7	-54.1	0	0	0	0	110.7	I928 K929 T934 H935 E936	I928-T932 WeakPolarHBondContact O-CB 3.39Å; I928-T932 PolarHBondContact O-N 3.09Å; I928-T932 PolarHBondContact O-OG1 3.17Å; K929-T932 PolarHBondContact O-N 3.38Å; K929-T932 VanDerWaalsContact O-N 3.11Å; T932-T934 VanDerWaalsContact C-N 3.32Å; T932-T934 PolarHBondContact O-N 2.92Å; T932-H935 WeakPolarHBondContact O-CB 3.49Å; T932-H935 PolarHBondContact O-N 3.43Å; T932-E936 HydrophobicContact CG2-CG 4.46Å; T932-E936 WeakPolarHBondContact CG2-OE1 3.5Å; T932-E936 WeakPolarHBondContact O-CG 3.46Å; T932-E936 PolarHBondContact O-N 3.17Å
933	F	84.5	Confident	89.7	Confident	115 Å²	115	55.4 Å²	55.4	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-39.3	176.6	-88	-93	0	0	0	112	K929 H935 G937	K929-F933 HydrophobicContact CD-CD2 4.36Å; K929-F933 HydrophobicContact CD-CE2 4.02Å; K929-F933 HydrophobicContact CG-CD2 3.41Å; K929-F933 VanDerWaalsContact CG-CD2 3.41Å; K929-F933 HydrophobicContact CG-CE2 3.43Å; K929-F933 VanDerWaalsContact CG-CE2 3.43Å; K929-F933 WeakPolarHBondContact O-CB 3.37Å; K929-F933 VanDerWaalsContact O-CD2 3.31Å; K929-F933 WeakPolarHBondContact O-CD2 3.35Å; K929-F933 PolarHBondContact O-N 3.4Å; F933-H935 VanDerWaalsContact C-N 3.31Å; F933-H935 PolarHBondContact O-N 3.04Å; F933-G937 WeakPolarHBondContact O-CA 3.31Å; F933-G937 PolarHBondContact O-N 3.19Å
934	T	85.6	Confident	89.3	Confident	23 Å²	23	61.9 Å²	61.9	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-38.2	174	-58.7	0	0	0	0	111.3	D930 M931 T932 N938 M953 I954	D930-T934 VanDerWaalsContact O-CB 3.3Å; D930-T934 WeakPolarHBondContact O-CB 3.37Å; D930-T934 PolarHBondContact O-N 3.46Å; D930-T934 PolarHBondContact O-OG1 3.14Å; M931-T934 PolarHBondContact O-N 2.8Å; T932-T934 VanDerWaalsContact C-N 3.32Å; T932-T934 PolarHBondContact O-N 2.92Å; T934-N938 WeakPolarHBondContact O-CB 3.31Å; T934-N938 PolarHBondContact O-N 2.68Å; T934-N938 PolarHBondContact O-ND2 3.47Å; T934-M953 HydrophobicContact CG2-CB 3.75Å; T934-M953 HydrophobicContact CG2-CE 3.98Å; T934-M953 HydrophobicContact CG2-SD 4.39Å; T934-I954 HydrophobicContact CG2-CD1 3.49Å; T934-I954 VanDerWaalsContact CG2-CD1 3.49Å; T934-I954 HydrophobicContact CG2-CG1 3.97Å
935	H	92.4	Very high	89	Confident	53 Å²	53	62.7 Å²	62.7	25%	0.245	33%	0.326	C	S	.	.	H	α-helix	trans	-68.8	-45.6	178.5	177.1	74.3	0	0	0	113	T800 F801 M931 T932 F933 K950	T800-H935 HydrophobicContact CG2-CB 3.56Å; F801-H935 AromaticContact CD1-CE1 3.3Å; F801-H935 WeakPolarHBondContact CD1-CE1 3.46Å; F801-H935 AromaticContact CD1-ND1 3.39Å; F801-H935 WeakPolarHBondContact CD1-ND1 3.48Å; F801-H935 AromaticContact CE1-CE1 3.51Å; F801-H935 AromaticContact CE1-ND1 3.21Å; F801-H935 WeakPolarHBondContact CE1-ND1 3.36Å; F801-H935 AromaticContact CG-ND1 3.96Å; F801-H935 AromaticContact CZ-ND1 3.65Å; M931-H935 WeakPolarHBondContact O-CB 3.49Å; M931-H935 PolarHBondContact O-N 3.27Å; T932-H935 WeakPolarHBondContact O-CB 3.49Å; T932-H935 PolarHBondContact O-N 3.43Å; F933-H935 VanDerWaalsContact C-N 3.31Å; F933-H935 PolarHBondContact O-N 3.04Å; H935-K950 PolarHBondContact ND1-NZ 2.93Å; H935-K950 PolarHBondContact O-NZ 3.44Å
936	E	83.2	Confident	89.1	Confident	131 Å²	131	61.3 Å²	61.3	61%	0.612	32%	0.317	S	S	*	.	H	α-helix	trans	-76	-36.6	-177.7	-68.5	174.7	177.4	0	0	112.1	T932 N938	T932-E936 HydrophobicContact CG2-CG 4.46Å; T932-E936 WeakPolarHBondContact CG2-OE1 3.5Å; T932-E936 WeakPolarHBondContact O-CG 3.46Å; T932-E936 PolarHBondContact O-N 3.17Å; E936-N938 VanDerWaalsContact C-N 3.34Å; E936-N938 PolarHBondContact O-N 3.45Å
937	G	78.5	Confident	89.2	Confident	63 Å²	63	61.6 Å²	61.6	65%	0.649	32%	0.318	S	S	*	.	H	α-helix	trans	-76.7	-15	-179.4	0	0	0	0	0	115	F933	F933-G937 WeakPolarHBondContact O-CA 3.31Å; F933-G937 PolarHBondContact O-N 3.19Å
938	N	83.7	Confident	89.2	Confident	54 Å²	54	61 Å²	61	29%	0.289	32%	0.316	S	S	.	.	S	Bend	trans	-127.2	130.9	-177.2	-59.7	-80.3	0	0	0	110.7	T934 E936 K950	T934-N938 WeakPolarHBondContact O-CB 3.31Å; T934-N938 PolarHBondContact O-N 2.68Å; T934-N938 PolarHBondContact O-ND2 3.47Å; E936-N938 VanDerWaalsContact C-N 3.34Å; E936-N938 PolarHBondContact O-N 3.45Å; N938-K950 HydrophobicContact CB-CB 4.17Å; N938-K950 HydrophobicContact CB-CD 3.88Å; N938-K950 HydrophobicContact CB-CG 3.93Å; N938-K950 VanDerWaalsContact O-CD 3.31Å; N938-K950 WeakPolarHBondContact O-CD 3.43Å; N938-K950 WeakPolarHBondContact O-CE 3.22Å; N938-K950 PolarHBondContact O-NZ 2.85Å
939	K	87.8	Confident	89.1	Confident	162 Å²	162	63.8 Å²	63.8	70%	0.704	33%	0.328	S	S	*	.			trans	-69.6	139.5	175.7	-66.6	-171.5	176.1	-173.8	0	111.2	F941 N947 K950	K939-F941 VanDerWaalsContact C-N 3.31Å; K939-F941 WeakPolarHBondContact CB-O 3.36Å; K939-N947 VanDerWaalsContact O-CB 3.29Å; K939-N947 WeakPolarHBondContact O-CB 3.35Å; K939-N947 PolarHBondContact O-ND2 3.15Å; K939-K950 WeakPolarHBondContact O-CD 3.36Å
940	T	93.5	Very high	89.3	Confident	27 Å²	27	59.8 Å²	59.8	17%	0.166	31%	0.311	C	S	.	.	S	Bend	trans	-68.3	-32.3	173.9	-56.4	0	0	0	0	111.9	V539 N947 K950 M951	V539-T940 HydrophobicContact CG1-CG2 3.92Å; T940-N947 WeakPolarHBondContact O-CB 3.46Å; T940-N947 PolarHBondContact O-N 3.15Å; T940-K950 PolarHBondContact OG1-NZ 3.23Å; T940-M951 HydrophobicContact CG2-CE 3.82Å
941	F	93.1	Very high	89.6	Confident	102 Å²	102	58.3 Å²	58.3	45%	0.447	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.3	177.3	-60.1	-87.5	0	0	0	110.7	K939 L945 V946	K939-F941 VanDerWaalsContact C-N 3.31Å; K939-F941 WeakPolarHBondContact CB-O 3.36Å; F941-L945 CarbonylContact C-O 3.58Å; F941-L945 WeakPolarHBondContact CA-O 3.36Å; F941-V946 HydrophobicContact CD1-CG2 4.26Å; F941-V946 HydrophobicContact CE1-CG2 3.81Å
942	I	85.3	Confident	89.6	Confident	75 Å²	75	60.6 Å²	60.6	39%	0.385	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.5	174.2	-61.3	171.1	0	0	0	106.3	N944 L945 N947	I942-N944 PolarHBondContact O-N 3.08Å; I942-L945 PolarHBondContact N-O 3.34Å; I942-L945 WeakPolarHBondContact O-CA 3.27Å; I942-L945 WeakPolarHBondContact O-CB 3.43Å; I942-L945 PolarHBondContact O-N 3.3Å; I942-N947 HydrophobicContact CD1-CB 4.02Å; I942-N947 HydrophobicContact CG1-CB 4.21Å
943	D	86.2	Confident	89.8	Confident	148 Å²	148	62.7 Å²	62.7	79%	0.791	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	42.5	-177.6	-54.7	-31.7	0	0	0	113.2	L945	D943-L945 PolarHBondContact O-N 2.83Å; D943-L945 VanDerWaalsContact O-N 3.15Å
944	N	89	Confident	90.3	Very high	155 Å²	155	57.2 Å²	57.2	83%	0.829	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	2.4	-174.7	-54.6	-45.6	0	0	0	116	I942	I942-N944 PolarHBondContact O-N 3.08Å
945	L	90.3	Very high	90.8	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	144.9	171.2	-56.8	179.6	0	0	0	110.7	D473 T504 F941 I942 D943 N947	D473-L945 HydrophobicContact CB-CD1 4.24Å; D473-L945 WeakPolarHBondContact O-CD1 3.36Å; D473-L945 WeakPolarHBondContact O-CD2 3.33Å; T504-L945 HydrophobicContact CG2-CD2 3.76Å; F941-L945 CarbonylContact C-O 3.58Å; F941-L945 WeakPolarHBondContact CA-O 3.36Å; I942-L945 PolarHBondContact N-O 3.34Å; I942-L945 WeakPolarHBondContact O-CA 3.27Å; I942-L945 WeakPolarHBondContact O-CB 3.43Å; I942-L945 PolarHBondContact O-N 3.3Å; D943-L945 PolarHBondContact O-N 2.83Å; D943-L945 VanDerWaalsContact O-N 3.15Å; L945-N947 PolarHBondContact O-N 3.02Å
946	V	96.6	Very high	90.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	126.1	172.2	-179.1	0	0	0	0	108.5	S502 G503 P505 I508 F540 F941 F948 M951	S502-V946 CarbonylContact C-O 3.57Å; S502-V946 WeakPolarHBondContact CA-O 3.46Å; S502-V946 VanDerWaalsContact CB-O 3.25Å; S502-V946 WeakPolarHBondContact CB-O 3.46Å; G503-V946 PolarHBondContact N-O 3.47Å; G503-V946 VanDerWaalsContact N-O 3.14Å; G503-V946 VanDerWaalsContact O-CB 3.31Å; G503-V946 WeakPolarHBondContact O-CB 3.46Å; G503-V946 PolarHBondContact O-N 2.94Å; P505-V946 HydrophobicContact CG-CG2 4.06Å; I508-V946 HydrophobicContact CD1-CB 3.82Å; I508-V946 HydrophobicContact CD1-CG1 4.25Å; I508-V946 HydrophobicContact CD1-CG2 4.38Å; F540-V946 HydrophobicContact CB-CB 4.46Å; F540-V946 HydrophobicContact CB-CG1 3.89Å; F540-V946 HydrophobicContact CB-CG2 3.65Å; F540-V946 HydrophobicContact CD1-CG1 3.83Å; F540-V946 HydrophobicContact CD2-CG1 4.24Å; F540-V946 HydrophobicContact CD2-CG2 3.93Å; F540-V946 HydrophobicContact CE1-CG1 4.42Å; F540-V946 HydrophobicContact CG-CB 4.46Å; F540-V946 HydrophobicContact CG-CG1 3.72Å; F540-V946 HydrophobicContact CG-CG2 3.91Å; F941-V946 HydrophobicContact CD1-CG2 4.26Å; F941-V946 HydrophobicContact CE1-CG2 3.81Å; V946-F948 PolarHBondContact O-N 2.95Å; V946-F948 VanDerWaalsContact O-N 3.12Å; V946-M951 HydrophobicContact CG1-CG 4.29Å
947	N	94.8	Very high	91.3	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	93.8	171.7	-179.9	-3.9	0	0	0	109.6	K939 T940 I942 L945 E949 K950 M951	K939-N947 VanDerWaalsContact O-CB 3.29Å; K939-N947 WeakPolarHBondContact O-CB 3.35Å; K939-N947 PolarHBondContact O-ND2 3.15Å; T940-N947 WeakPolarHBondContact O-CB 3.46Å; T940-N947 PolarHBondContact O-N 3.15Å; I942-N947 HydrophobicContact CD1-CB 4.02Å; I942-N947 HydrophobicContact CG1-CB 4.21Å; L945-N947 PolarHBondContact O-N 3.02Å; N947-E949 WeakPolarHBondContact OD1-CB 3.42Å; N947-E949 PolarHBondContact OD1-N 3.42Å; N947-K950 HydrophobicContact CB-CB 4.25Å; N947-K950 PolarHBondContact O-N 2.91Å; N947-K950 PolarHBondContact OD1-N 3.15Å; N947-K950 VanDerWaalsContact OD1-N 3.1Å; N947-M951 WeakPolarHBondContact O-CE 3.07Å; N947-M951 WeakPolarHBondContact O-CG 3.39Å; N947-M951 PolarHBondContact O-N 3.33Å
948	F	94.5	Very high	92.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-78.1	-21.7	-176.7	-156.7	-96.6	0	0	0	112.8	V500 M501 I508 F512 D532 F533 F540 V946 M951 R952	V500-F948 HydrophobicContact CB-CB 4.39Å; V500-F948 HydrophobicContact CB-CD1 3.86Å; V500-F948 HydrophobicContact CB-CG 4.28Å; V500-F948 HydrophobicContact CG1-CB 3.79Å; V500-F948 HydrophobicContact CG1-CD1 4.09Å; V500-F948 HydrophobicContact CG1-CG 3.98Å; M501-F948 WeakPolarHBondContact O-CA 3.41Å; M501-F948 PolarHBondContact O-N 3.1Å; I508-F948 HydrophobicContact CD1-CB 4.46Å; I508-F948 HydrophobicContact CD1-CD2 4.08Å; I508-F948 HydrophobicContact CG2-CD2 4.03Å; I508-F948 HydrophobicContact CG2-CE2 3.93Å; F512-F948 AromaticContact CE2-CE1 3.74Å; F512-F948 HydrophobicContact CE2-CE1 3.74Å; F512-F948 HydrophobicContact CE2-CE2 4.01Å; F512-F948 AromaticContact CE2-CZ 3.41Å; F512-F948 HydrophobicContact CE2-CZ 3.41Å; F512-F948 VanDerWaalsContact CE2-CZ 3.41Å; F512-F948 AromaticContact CZ-CE1 3.55Å; F512-F948 HydrophobicContact CZ-CE1 3.55Å; F512-F948 AromaticContact CZ-CZ 3.57Å; F512-F948 HydrophobicContact CZ-CZ 3.57Å; D532-F948 HydrophobicContact CB-CE1 4.06Å; D532-F948 HydrophobicContact CB-CZ 3.99Å; F533-F948 HydrophobicContact CB-CZ 4.24Å; F533-F948 HydrophobicContact CD2-CE2 4.5Å; F540-F948 HydrophobicContact CE1-CD2 4.45Å; F540-F948 HydrophobicContact CE1-CE2 4.21Å; F540-F948 HydrophobicContact CZ-CD2 4.44Å; F540-F948 HydrophobicContact CZ-CE2 4.09Å; V946-F948 PolarHBondContact O-N 2.95Å; V946-F948 VanDerWaalsContact O-N 3.12Å; F948-M951 HydrophobicContact CD2-CB 4.09Å; F948-M951 HydrophobicContact CD2-CG 4.16Å; F948-M951 HydrophobicContact CE2-CB 4.3Å; F948-M951 HydrophobicContact CG-CB 4.41Å; F948-M951 WeakPolarHBondContact O-CB 3.42Å; F948-M951 PolarHBondContact O-N 2.92Å; F948-R952 PolarHBondContact O-N 3.19Å
949	E	91.2	Very high	92.6	Very high	60 Å²	60	49.3 Å²	49.3	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-47.9	168.5	-173.7	-177.9	-159.5	0	0	110.4	M501 N947 M951 R952 M953	M501-E949 HydrophobicContact CE-CB 3.98Å; M501-E949 HydrophobicContact CE-CG 4.01Å; M501-E949 PolarHBondContact O-N 2.8Å; M501-E949 VanDerWaalsContact O-N 3.13Å; N947-E949 WeakPolarHBondContact OD1-CB 3.42Å; N947-E949 PolarHBondContact OD1-N 3.42Å; E949-M951 VanDerWaalsContact C-N 3.31Å; E949-M951 PolarHBondContact O-N 3.27Å; E949-R952 PolarHBondContact O-N 3.31Å; E949-M953 WeakPolarHBondContact O-CG 3.38Å; E949-M953 PolarHBondContact O-N 3.41Å
950	K	93.9	Very high	92.9	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-43.7	172.8	177.4	-174.2	-177.9	174	0	111.7	H935 N938 K939 T940 N947 R952 M953 I954	H935-K950 PolarHBondContact ND1-NZ 2.93Å; H935-K950 PolarHBondContact O-NZ 3.44Å; N938-K950 HydrophobicContact CB-CB 4.17Å; N938-K950 HydrophobicContact CB-CD 3.88Å; N938-K950 HydrophobicContact CB-CG 3.93Å; N938-K950 VanDerWaalsContact O-CD 3.31Å; N938-K950 WeakPolarHBondContact O-CD 3.43Å; N938-K950 WeakPolarHBondContact O-CE 3.22Å; N938-K950 PolarHBondContact O-NZ 2.85Å; K939-K950 WeakPolarHBondContact O-CD 3.36Å; T940-K950 PolarHBondContact OG1-NZ 3.23Å; N947-K950 HydrophobicContact CB-CB 4.25Å; N947-K950 PolarHBondContact O-N 2.91Å; N947-K950 PolarHBondContact OD1-N 3.15Å; N947-K950 VanDerWaalsContact OD1-N 3.1Å; K950-R952 VanDerWaalsContact C-N 3.33Å; K950-R952 PolarHBondContact O-N 3.02Å; K950-M953 PolarHBondContact O-N 3.16Å; K950-I954 WeakPolarHBondContact O-CG1 3.36Å; K950-I954 PolarHBondContact O-N 3.43Å; K950-I954 VanDerWaalsContact O-N 3.1Å
951	M	97	Very high	93.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-46.4	178.9	-61.4	-49.4	123.2	0	0	111.1	M536 V539 F540 F801 T940 V946 N947 F948 E949 M953 I954 A955	M536-M951 HydrophobicContact CB-CB 3.91Å; M536-M951 HydrophobicContact CB-CG 4.25Å; M536-M951 HydrophobicContact CB-SD 4.23Å; M536-M951 HydrophobicContact CE-SD 3.81Å; M536-M951 HydrophobicContact CG-CB 3.99Å; V539-M951 HydrophobicContact CB-SD 4.25Å; V539-M951 HydrophobicContact CG1-CE 4.25Å; V539-M951 HydrophobicContact CG1-SD 4.07Å; F540-M951 HydrophobicContact CD1-CG 4.27Å; F540-M951 HydrophobicContact CD1-SD 4.32Å; F540-M951 HydrophobicContact CE1-CG 4.24Å; F801-M951 HydrophobicContact CZ-CE 4.42Å; F801-M951 HydrophobicContact CZ-SD 4.45Å; T940-M951 HydrophobicContact CG2-CE 3.82Å; V946-M951 HydrophobicContact CG1-CG 4.29Å; N947-M951 WeakPolarHBondContact O-CE 3.07Å; N947-M951 WeakPolarHBondContact O-CG 3.39Å; N947-M951 PolarHBondContact O-N 3.33Å; F948-M951 HydrophobicContact CD2-CB 4.09Å; F948-M951 HydrophobicContact CD2-CG 4.16Å; F948-M951 HydrophobicContact CE2-CB 4.3Å; F948-M951 HydrophobicContact CG-CB 4.41Å; F948-M951 WeakPolarHBondContact O-CB 3.42Å; F948-M951 PolarHBondContact O-N 2.92Å; E949-M951 VanDerWaalsContact C-N 3.31Å; E949-M951 PolarHBondContact O-N 3.27Å; M951-M953 PolarHBondContact O-N 2.86Å; M951-I954 PolarHBondContact O-N 3.42Å; M951-A955 WeakPolarHBondContact O-CB 3.24Å; M951-A955 PolarHBondContact O-N 2.86Å
952	R	94	Very high	93.2	Very high	49 Å²	49	42 Å²	42	19%	0.185	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.5	-175.3	179.2	-53.7	131.4	13.5	112.4	V500 D532 F948 E949 K950 I954 A955 N956	V500-R952 PolarHBondContact O-NH2 3.1Å; D532-R952 WeakPolarHBondContact OD2-CG 3.33Å; D532-R952 IonicContact OD2-NE 3.09Å; D532-R952 PolarHBondContact OD2-NE 3.42Å; F948-R952 PolarHBondContact O-N 3.19Å; E949-R952 PolarHBondContact O-N 3.31Å; K950-R952 VanDerWaalsContact C-N 3.33Å; K950-R952 PolarHBondContact O-N 3.02Å; R952-I954 VanDerWaalsContact C-N 3.35Å; R952-I954 PolarHBondContact O-N 3.25Å; R952-A955 PolarHBondContact O-N 3.46Å; R952-N956 PolarHBondContact O-N 3.01Å; R952-N956 PolarHBondContact O-ND2 2.72Å
953	M	90.9	Very high	93.7	Very high	71 Å²	71	43.4 Å²	43.4	35%	0.35	21%	0.209	S	C	.	.	H	α-helix	trans	-58.9	-45.5	177.1	-68.6	173.7	73.8	0	0	111.7	T934 E949 K950 M951 N956	T934-M953 HydrophobicContact CG2-CB 3.75Å; T934-M953 HydrophobicContact CG2-CE 3.98Å; T934-M953 HydrophobicContact CG2-SD 4.39Å; E949-M953 WeakPolarHBondContact O-CG 3.38Å; E949-M953 PolarHBondContact O-N 3.41Å; K950-M953 PolarHBondContact O-N 3.16Å; M951-M953 PolarHBondContact O-N 2.86Å; M953-N956 WeakPolarHBondContact O-CB 3.5Å; M953-N956 PolarHBondContact O-N 3.46Å
954	I	95.1	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-44.3	177	-62.6	-67.4	0	0	0	111.3	M536 I797 T800 F801 M931 T934 K950 M951 R952 N956 T957 A958	M536-I954 HydrophobicContact CE-CB 3.96Å; M536-I954 HydrophobicContact CE-CG2 3.79Å; M536-I954 HydrophobicContact SD-CB 4.44Å; M536-I954 HydrophobicContact SD-CG2 4.12Å; I797-I954 HydrophobicContact CD1-CG2 3.74Å; T800-I954 HydrophobicContact CG2-CD1 4.34Å; F801-I954 HydrophobicContact CE2-CG1 4.36Å; F801-I954 HydrophobicContact CE2-CG2 4.26Å; F801-I954 HydrophobicContact CZ-CG1 4.47Å; M931-I954 HydrophobicContact CB-CD1 4.42Å; M931-I954 HydrophobicContact CE-CG2 3.66Å; M931-I954 WeakPolarHBondContact O-CD1 3.33Å; T934-I954 HydrophobicContact CG2-CD1 3.49Å; T934-I954 VanDerWaalsContact CG2-CD1 3.49Å; T934-I954 HydrophobicContact CG2-CG1 3.97Å; K950-I954 WeakPolarHBondContact O-CG1 3.36Å; K950-I954 PolarHBondContact O-N 3.43Å; K950-I954 VanDerWaalsContact O-N 3.1Å; M951-I954 PolarHBondContact O-N 3.42Å; R952-I954 VanDerWaalsContact C-N 3.35Å; R952-I954 PolarHBondContact O-N 3.25Å; I954-N956 VanDerWaalsContact C-N 3.26Å; I954-N956 PolarHBondContact O-N 3.27Å; I954-T957 PolarHBondContact O-N 2.93Å; I954-T957 VanDerWaalsContact O-N 3.15Å; I954-A958 PolarHBondContact O-N 3.39Å
955	A	95.2	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-34.7	178.4	0	0	0	0	0	112.3	M535 M536 M951 R952 T957 A958 R959	M535-A955 HydrophobicContact SD-CB 4.1Å; M536-A955 HydrophobicContact CG-CB 3.96Å; M536-A955 HydrophobicContact SD-CB 4.22Å; M951-A955 WeakPolarHBondContact O-CB 3.24Å; M951-A955 PolarHBondContact O-N 2.86Å; R952-A955 PolarHBondContact O-N 3.46Å; A955-T957 VanDerWaalsContact C-N 3.33Å; A955-T957 PolarHBondContact O-N 3.2Å; A955-A958 PolarHBondContact O-N 2.95Å; A955-R959 WeakPolarHBondContact O-CB 3.44Å; A955-R959 WeakPolarHBondContact O-CG 3.26Å; A955-R959 PolarHBondContact O-N 2.92Å
956	N	92.9	Very high	94.9	Very high	68 Å²	68	35.5 Å²	35.5	36%	0.364	17%	0.166	S	C	.	.	H	α-helix	trans	-58.4	-43.1	174.9	-74.7	-26.1	0	0	0	112.2	R952 M953 I954 R959 T960	R952-N956 PolarHBondContact O-N 3.01Å; R952-N956 PolarHBondContact O-ND2 2.72Å; M953-N956 WeakPolarHBondContact O-CB 3.5Å; M953-N956 PolarHBondContact O-N 3.46Å; I954-N956 VanDerWaalsContact C-N 3.26Å; I954-N956 PolarHBondContact O-N 3.27Å; N956-R959 PolarHBondContact O-N 3.48Å; N956-R959 PolarHBondContact OD1-NH2 2.96Å; N956-T960 PolarHBondContact O-N 2.88Å; N956-T960 PolarHBondContact O-OG1 3.42Å
957	T	93.6	Very high	94.8	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.141	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-42.5	178.5	-52.6	0	0	0	0	111.6	L927 M931 I954 A955 T960 V961	L927-T957 HydrophobicContact CD1-CG2 4.26Å; L927-T957 HydrophobicContact CD2-CG2 3.68Å; L927-T957 HydrophobicContact CG-CG2 3.6Å; M931-T957 HydrophobicContact CG-CG2 3.54Å; M931-T957 HydrophobicContact SD-CG2 4.06Å; I954-T957 PolarHBondContact O-N 2.93Å; I954-T957 VanDerWaalsContact O-N 3.15Å; A955-T957 VanDerWaalsContact C-N 3.33Å; A955-T957 PolarHBondContact O-N 3.2Å; T957-T960 WeakPolarHBondContact O-CB 3.44Å; T957-T960 PolarHBondContact O-N 3.34Å; T957-V961 PolarHBondContact O-N 3.42Å
958	A	95.1	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-39.7	175.1	0	0	0	0	0	112.3	M535 L796 I797 I954 A955 T960 V961 R962	M535-A958 HydrophobicContact CE-CB 4.25Å; M535-A958 HydrophobicContact SD-CB 3.45Å; M535-A958 WeakPolarHBondContact SD-CB 3.43Å; L796-A958 HydrophobicContact CD1-CB 4.21Å; I797-A958 HydrophobicContact CD1-CB 4.45Å; I954-A958 PolarHBondContact O-N 3.39Å; A955-A958 PolarHBondContact O-N 2.95Å; A958-T960 VanDerWaalsContact C-N 3.25Å; A958-T960 PolarHBondContact O-N 3.21Å; A958-V961 VanDerWaalsContact O-CB 3.31Å; A958-V961 WeakPolarHBondContact O-CB 3.3Å; A958-V961 PolarHBondContact O-N 3.4Å; A958-V961 VanDerWaalsContact O-N 3.1Å; A958-R962 PolarHBondContact O-N 3.43Å; A958-R962 VanDerWaalsContact O-N 3.12Å
959	R	95.2	Very high	94.5	Very high	68 Å²	68	45.9 Å²	45.9	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-31.3	172.3	-79.7	-168.9	-80.1	150.4	-9.5	112.9	N531 D532 M535 A955 N956 V961 R962 Y963	N531-R959 VanDerWaalsContact OD1-CD 3.28Å; N531-R959 WeakPolarHBondContact OD1-CD 3.47Å; N531-R959 WeakPolarHBondContact OD1-CG 3.46Å; D532-R959 IonicContact OD1-CZ 2.7Å; D532-R959 IonicContact OD1-NE 3.17Å; D532-R959 IonicContact OD1-NH2 3.03Å; D532-R959 PolarHBondContact OD1-NH2 3.37Å; D532-R959 IonicContact OD2-NH2 2.68Å; M535-R959 HydrophobicContact CE-CG 4.14Å; A955-R959 WeakPolarHBondContact O-CB 3.44Å; A955-R959 WeakPolarHBondContact O-CG 3.26Å; A955-R959 PolarHBondContact O-N 2.92Å; N956-R959 PolarHBondContact O-N 3.48Å; N956-R959 PolarHBondContact OD1-NH2 2.96Å; R959-V961 VanDerWaalsContact C-N 3.31Å; R959-V961 PolarHBondContact O-N 2.97Å; R959-R962 WeakPolarHBondContact O-CB 3.5Å; R959-R962 PolarHBondContact O-N 3.13Å; R959-Y963 PolarHBondContact O-N 3.27Å
960	T	94.5	Very high	93.9	Very high	48 Å²	48	49.6 Å²	49.6	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-39.7	173.9	-58.3	0	0	0	0	110.6	N956 T957 A958 R962 Y963 Y964	N956-T960 PolarHBondContact O-N 2.88Å; N956-T960 PolarHBondContact O-OG1 3.42Å; T957-T960 WeakPolarHBondContact O-CB 3.44Å; T957-T960 PolarHBondContact O-N 3.34Å; A958-T960 VanDerWaalsContact C-N 3.25Å; A958-T960 PolarHBondContact O-N 3.21Å; T960-R962 VanDerWaalsContact C-N 3.35Å; T960-R962 PolarHBondContact O-N 3.37Å; T960-Y963 PolarHBondContact O-N 2.95Å; T960-Y964 HydrophobicContact CG2-CD1 4.47Å; T960-Y964 HydrophobicContact CG2-CD2 4.13Å; T960-Y964 HydrophobicContact CG2-CE1 3.82Å; T960-Y964 HydrophobicContact CG2-CE2 3.41Å; T960-Y964 VanDerWaalsContact CG2-CE2 3.41Å; T960-Y964 WeakPolarHBondContact CG2-OH 3.36Å; T960-Y964 WeakPolarHBondContact O-CD2 3.38Å; T960-Y964 PolarHBondContact O-N 3.22Å
961	V	96.4	Very high	92.6	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-44.7	171	171.9	0	0	0	0	111.4	F788 L796 L927 T957 A958 R959 Y963 Y964 R965	F788-V961 HydrophobicContact CE2-CG1 3.69Å; F788-V961 HydrophobicContact CZ-CG1 3.71Å; L796-V961 HydrophobicContact CD1-CB 4.25Å; L796-V961 HydrophobicContact CD1-CG1 4.44Å; L796-V961 HydrophobicContact CD1-CG2 3.89Å; L927-V961 HydrophobicContact CD1-CG2 3.49Å; L927-V961 VanDerWaalsContact CD1-CG2 3.49Å; L927-V961 HydrophobicContact CD2-CG2 4.07Å; L927-V961 HydrophobicContact CG-CG2 4.45Å; T957-V961 PolarHBondContact O-N 3.42Å; A958-V961 VanDerWaalsContact O-CB 3.31Å; A958-V961 WeakPolarHBondContact O-CB 3.3Å; A958-V961 PolarHBondContact O-N 3.4Å; A958-V961 VanDerWaalsContact O-N 3.1Å; R959-V961 VanDerWaalsContact C-N 3.31Å; R959-V961 PolarHBondContact O-N 2.97Å; V961-Y963 VanDerWaalsContact C-N 3.33Å; V961-Y963 PolarHBondContact O-N 3.31Å; V961-Y964 PolarHBondContact O-N 3.29Å; V961-R965 WeakPolarHBondContact O-CG 3.15Å; V961-R965 PolarHBondContact O-N 3.2Å
962	R	95.4	Very high	90.8	Very high	86 Å²	86	58 Å²	58	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-56.9	-45.6	174.7	-171.5	-173.4	-62.5	178.6	-5.7	112.1	N531 E793 A958 R959 T960 R965 S966	N531-R962 PolarHBondContact ND2-NH1 2.93Å; N531-R962 PolarHBondContact ND2-NH2 2.99Å; E793-R962 WeakPolarHBondContact OE1-CB 3.43Å; E793-R962 WeakPolarHBondContact OE1-CG 3.42Å; E793-R962 IonicContact OE1-CZ 2.76Å; E793-R962 IonicContact OE1-NE 2.79Å; E793-R962 PolarHBondContact OE1-NE 2.78Å; E793-R962 IonicContact OE1-NH2 3.14Å; E793-R962 IonicContact OE2-CZ 3.6Å; E793-R962 VanDerWaalsContact OE2-CZ 3.23Å; E793-R962 IonicContact OE2-NE 2.83Å; E793-R962 PolarHBondContact OE2-NE 3.17Å; E793-R962 IonicContact OE2-NH2 3.88Å; E793-R962 PolarHBondContact OE2-NH2 2.81Å; A958-R962 PolarHBondContact O-N 3.43Å; A958-R962 VanDerWaalsContact O-N 3.12Å; R959-R962 WeakPolarHBondContact O-CB 3.5Å; R959-R962 PolarHBondContact O-N 3.13Å; T960-R962 VanDerWaalsContact C-N 3.35Å; T960-R962 PolarHBondContact O-N 3.37Å; R962-R965 PolarHBondContact O-N 2.9Å; R962-S966 PolarHBondContact O-N 2.99Å; R962-S966 VanDerWaalsContact O-N 3.12Å
963	Y	95.9	Very high	88.6	Confident	105 Å²	105	61.1 Å²	61.1	41%	0.412	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-47.2	177.5	169.9	-108.9	0	0	0	111.5	E917 P918 R959 T960 V961 R965 S966	E917-Y963 PolarHBondContact OE2-OH 3.46Å; P918-Y963 WeakPolarHBondContact CB-O 3.48Å; P918-Y963 VanDerWaalsContact CD-OH 3.29Å; P918-Y963 WeakPolarHBondContact CD-OH 3.46Å; P918-Y963 HydrophobicContact CG-CD1 4.13Å; P918-Y963 HydrophobicContact CG-CD2 3.92Å; P918-Y963 HydrophobicContact CG-CE1 3.83Å; P918-Y963 HydrophobicContact CG-CE2 3.6Å; P918-Y963 HydrophobicContact CG-CG 4.18Å; P918-Y963 WeakPolarHBondContact CG-O 3.49Å; R959-Y963 PolarHBondContact O-N 3.27Å; T960-Y963 PolarHBondContact O-N 2.95Å; V961-Y963 VanDerWaalsContact C-N 3.33Å; V961-Y963 PolarHBondContact O-N 3.31Å; Y963-R965 PolarHBondContact O-N 3.45Å; Y963-S966 VanDerWaalsContact O-CB 3.28Å; Y963-S966 WeakPolarHBondContact O-CB 3.29Å; Y963-S966 PolarHBondContact O-N 3.36Å; Y963-S966 PolarHBondContact O-OG 3.33Å
964	Y	97.2	Very high	86.5	Confident	28 Å²	28	62 Å²	62	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-58.3	-31.8	-179.4	-66.3	-22.6	0	0	0	114.4	V913 L920 P922 T960 V961	V913-Y964 HydrophobicContact CG1-CE1 3.87Å; V913-Y964 WeakPolarHBondContact CG1-OH 3.46Å; L920-Y964 HydrophobicContact CD1-CD1 3.54Å; L920-Y964 HydrophobicContact CD1-CD2 4Å; L920-Y964 HydrophobicContact CD1-CE1 3.81Å; L920-Y964 HydrophobicContact CD1-CE2 4.23Å; L920-Y964 HydrophobicContact CD1-CG 3.64Å; L920-Y964 HydrophobicContact CD2-CD1 3.46Å; L920-Y964 VanDerWaalsContact CD2-CD1 3.46Å; L920-Y964 HydrophobicContact CD2-CE1 3.87Å; L920-Y964 HydrophobicContact CD2-CG 4.22Å; L920-Y964 HydrophobicContact CG-CD1 3.55Å; L920-Y964 HydrophobicContact CG-CE1 4.19Å; L920-Y964 HydrophobicContact CG-CG 3.79Å; L920-Y964 PolarHBondContact N-O 2.93Å; P922-Y964 HydrophobicContact CB-CD2 3.67Å; P922-Y964 HydrophobicContact CB-CE2 3.47Å; P922-Y964 VanDerWaalsContact CB-CE2 3.47Å; P922-Y964 HydrophobicContact CG-CD2 3.6Å; P922-Y964 HydrophobicContact CG-CE2 3.88Å; T960-Y964 HydrophobicContact CG2-CD1 4.47Å; T960-Y964 HydrophobicContact CG2-CD2 4.13Å; T960-Y964 HydrophobicContact CG2-CE1 3.82Å; T960-Y964 HydrophobicContact CG2-CE2 3.41Å; T960-Y964 VanDerWaalsContact CG2-CE2 3.41Å; T960-Y964 WeakPolarHBondContact CG2-OH 3.36Å; T960-Y964 WeakPolarHBondContact O-CD2 3.38Å; T960-Y964 PolarHBondContact O-N 3.22Å; V961-Y964 PolarHBondContact O-N 3.29Å
965	R	96.7	Very high	84.4	Confident	57 Å²	57	65.2 Å²	65.2	22%	0.215	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11.9	177.8	72.2	-169.4	-174.4	166.4	3.6	115.1	W785 F788 V791 E793 V961 R962 Y963 Q967	W785-R965 HydrophobicContact CH2-CB 4.2Å; W785-R965 HydrophobicContact CZ3-CB 3.74Å; F788-R965 HydrophobicContact CE1-CB 4.14Å; V791-R965 PolarHBondContact O-NH1 2.67Å; E793-R965 VanDerWaalsContact CG-NH2 3.3Å; E793-R965 IonicContact OE1-NH2 3.57Å; E793-R965 PolarHBondContact OE1-NH2 3.4Å; V961-R965 WeakPolarHBondContact O-CG 3.15Å; V961-R965 PolarHBondContact O-N 3.2Å; R962-R965 PolarHBondContact O-N 2.9Å; Y963-R965 PolarHBondContact O-N 3.45Å; R965-Q967 PolarHBondContact O-N 3.43Å
966	S	96.2	Very high	81.9	Confident	68 Å²	68	69.9 Å²	69.9	48%	0.476	40%	0.399	S	S	.	.	S	Bend	trans	-67.8	-18.7	-178.6	61.3	0	0	0	0	114	R962 Y963	R962-S966 PolarHBondContact O-N 2.99Å; R962-S966 VanDerWaalsContact O-N 3.12Å; Y963-S966 VanDerWaalsContact O-CB 3.28Å; Y963-S966 WeakPolarHBondContact O-CB 3.29Å; Y963-S966 PolarHBondContact O-N 3.36Å; Y963-S966 PolarHBondContact O-OG 3.33Å
967	Q	94.7	Very high	80	Confident	108 Å²	108	72 Å²	72	51%	0.505	41%	0.41	S	S	.	.	S	Bend	trans	-115.9	145.1	176.7	-65.7	-65.3	-22.9	0	0	110.1	P918 P919 R965	P918-Q967 HydrophobicContact CB-CB 4.1Å; P918-Q967 HydrophobicContact CB-CG 3.97Å; P919-Q967 HydrophobicContact CB-CB 4.35Å; P919-Q967 WeakPolarHBondContact CB-O 3.12Å; R965-Q967 PolarHBondContact O-N 3.43Å
968	P	92.2	Very high	78.1	Confident	87 Å²	87	81.4 Å²	81.4	57%	0.565	45%	0.449	S	S	*	.			trans	-72.2	145.2	174.9	30.2	-33.9	0	0	0	111.2	N970	P968-N970 PolarHBondContact O-N 3.49Å
969	F	90.6	Very high	76.2	Confident	33 Å²	33	86.9 Å²	86.9	15%	0.145	48%	0.478	C	S	.	.			trans	-82.4	103.9	172	-179.5	-106.2	0	0	0	111.1	T781 I782 W785 Y857 P919 P971	T781-F969 HydrophobicContact CG2-CD1 4.37Å; T781-F969 HydrophobicContact CG2-CD2 4.49Å; T781-F969 HydrophobicContact CG2-CE1 3.72Å; T781-F969 HydrophobicContact CG2-CE2 3.86Å; T781-F969 HydrophobicContact CG2-CZ 3.42Å; T781-F969 VanDerWaalsContact CG2-CZ 3.42Å; I782-F969 HydrophobicContact CG1-CE1 4.2Å; W785-F969 AromaticContact CD1-CD1 3.6Å; W785-F969 AromaticContact CD1-CD2 3.97Å; W785-F969 AromaticContact CD1-CG 3.43Å; W785-F969 VanDerWaalsContact CD1-CG 3.43Å; W785-F969 HydrophobicContact CD2-CB 3.91Å; W785-F969 HydrophobicContact CG-CB 3.93Å; W785-F969 HydrophobicContact CG-CD1 4.43Å; W785-F969 HydrophobicContact CG-CG 4.26Å; W785-F969 HydrophobicContact CZ2-CB 4.24Å; W785-F969 AromaticContact NE1-CD1 3.95Å; W785-F969 AromaticContact NE1-CD2 3.44Å; W785-F969 AromaticContact NE1-CG 3.3Å; W785-F969 VanDerWaalsContact NE1-CG 3.3Å; Y857-F969 HydrophobicContact CD1-CE2 4.48Å; Y857-F969 HydrophobicContact CD1-CZ 4.18Å; Y857-F969 HydrophobicContact CG-CZ 4.29Å; P919-F969 HydrophobicContact CB-CB 4.33Å; P919-F969 HydrophobicContact CG-CB 4.49Å; P919-F969 HydrophobicContact CG-CD2 4.31Å; F969-P971 HydrophobicContact CD1-CG 4.15Å; F969-P971 HydrophobicContact CE1-CG 3.46Å; F969-P971 VanDerWaalsContact CE1-CG 3.46Å; F969-P971 HydrophobicContact CE2-CG 4.06Å; F969-P971 HydrophobicContact CZ-CB 4.21Å; F969-P971 HydrophobicContact CZ-CG 3.41Å; F969-P971 VanDerWaalsContact CZ-CG 3.41Å
970	N	79.8	Confident	75	Confident	138 Å²	138	85.4 Å²	85.4	74%	0.738	47%	0.474	S	S	*	.			trans	-131.9	77.1	174.5	-74.4	-34.1	0	0	0	110.8	P968 D972	P968-N970 PolarHBondContact O-N 3.49Å; N970-D972 PolarHBondContact O-N 2.92Å
971	P	65.3	Low	74.4	Confident	34 Å²	34	89.6 Å²	89.6	22%	0.221	49%	0.49	C	S	.	.			trans	-64.7	123.4	166	28.1	-37.7	0	0	0	110	Y778 Y857 F969	Y778-P971 HydrophobicContact CD2-CG 3.95Å; Y778-P971 HydrophobicContact CE2-CB 4.17Å; Y778-P971 HydrophobicContact CE2-CG 3.34Å; Y857-P971 HydrophobicContact CD1-CB 4.41Å; Y857-P971 HydrophobicContact CE1-CB 4.16Å; F969-P971 HydrophobicContact CD1-CG 4.15Å; F969-P971 HydrophobicContact CE1-CG 3.46Å; F969-P971 VanDerWaalsContact CE1-CG 3.46Å; F969-P971 HydrophobicContact CE2-CG 4.06Å; F969-P971 HydrophobicContact CZ-CB 4.21Å; F969-P971 HydrophobicContact CZ-CG 3.41Å; F969-P971 VanDerWaalsContact CZ-CG 3.41Å
972	D	60.7	Low	74	Confident	144 Å²	144	94.2 Å²	94.2	77%	0.77	52%	0.515	S	S	*	.			trans	1.1	118	177.2	-67.8	-37.1	0	0	0	117.2	N970 A974	N970-D972 PolarHBondContact O-N 2.92Å; D972-A974 PolarHBondContact O-N 2.72Å
973	A	47.9	Very low	73.8	Confident	116 Å²	116	90.5 Å²	90.5	96%	0.959	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	15.5	178.1	0	0	0	0	0	116.1
974	A	46.9	Very low	73.4	Confident	89 Å²	89	89.3 Å²	89.3	74%	0.736	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	4.6	-172	0	0	0	0	0	115.4	D972	D972-A974 PolarHBondContact O-N 2.72Å
975	Q	50.4	Low	73	Confident	67 Å²	67	89.5 Å²	89.5	31%	0.313	50%	0.502	S	S	.	.			trans	-116.7	57.3	-176.1	-65.7	-171.7	-30.8	0	0	112.5	N977 H980	Q975-N977 PolarHBondContact O-N 2.89Å; Q975-H980 PolarHBondContact O-CD2 3.46Å; Q975-H980 PolarHBondContact O-NE2 3.27Å
976	A	43.1	Very low	72.8	Confident	99 Å²	99	88.4 Å²	88.4	82%	0.818	50%	0.498	S	S	*	.			trans	-84	67.3	163.9	0	0	0	0	0	110
977	N	53.4	Low	72.7	Confident	112 Å²	112	85.3 Å²	85.3	60%	0.599	48%	0.476	S	S	*	.			trans	-84.1	142.7	170.4	-95.9	-16	0	0	0	110.6	Q975 N979 H980	Q975-N977 PolarHBondContact O-N 2.89Å; N977-N979 PolarHBondContact O-N 2.97Å; N977-H980 PolarHBondContact N-NE2 3.42Å; N977-H980 PolarHBondContact O-CD2 2.89Å
978	K	51.9	Low	72.6	Confident	221 Å²	221	80.7 Å²	80.7	96%	0.961	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-3.2	-173.1	-65.3	179.3	178.9	178.5	0	115.6
979	N	56.3	Low	72.5	Confident	114 Å²	114	79.1 Å²	79.1	61%	0.61	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	9.6	-174.4	-109.9	14.3	0	0	0	115.3	N977 Q981	N977-N979 PolarHBondContact O-N 2.97Å; N979-Q981 VanDerWaalsContact C-N 3.31Å; N979-Q981 PolarHBondContact O-N 3.35Å
980	H	70.4	Confident	72.6	Confident	37 Å²	37	78 Å²	78	17%	0.171	44%	0.435	C	S	.	.	H	α-helix	trans	-65.3	-28	-175.1	-77.4	-63.3	0	0	0	114.9	D775 Q975 N977 R984	D775-H980 IonicContact OD1-CE1 3.99Å; Q975-H980 PolarHBondContact O-CD2 3.46Å; Q975-H980 PolarHBondContact O-NE2 3.27Å; N977-H980 PolarHBondContact N-NE2 3.42Å; N977-H980 PolarHBondContact O-CD2 2.89Å; H980-R984 WeakPolarHBondContact O-CB 3.33Å; H980-R984 PolarHBondContact O-N 3.37Å
981	Q	82.1	Confident	73.2	Confident	137 Å²	137	76.3 Å²	76.3	64%	0.64	43%	0.426	S	S	*	.	H	α-helix	trans	-70.1	-40.9	-174.8	-169.6	168.7	-5.2	0	0	112.1	N979 R984 S985	N979-Q981 VanDerWaalsContact C-N 3.31Å; N979-Q981 PolarHBondContact O-N 3.35Å; Q981-R984 WeakPolarHBondContact O-CB 3.27Å; Q981-R984 PolarHBondContact O-N 3.35Å; Q981-S985 WeakPolarHBondContact O-CB 3.27Å; Q981-S985 PolarHBondContact O-N 3.33Å; Q981-S985 PolarHBondContact O-OG 2.99Å
982	D	86.8	Confident	74.7	Confident	99 Å²	99	74.8 Å²	74.8	53%	0.529	42%	0.416	S	S	.	.	H	α-helix	trans	-66.3	-42.6	179	-62.2	-20.4	0	0	0	111.6	S985 Y986	D982-S985 PolarHBondContact O-N 3.46Å; D982-Y986 WeakPolarHBondContact O-CB 3.47Å; D982-Y986 PolarHBondContact O-N 3.33Å
983	V	90.5	Very high	76.4	Confident	7 Å²	7	68 Å²	68	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-63.7	-44.3	175.7	-173.5	0	0	0	0	110.4	M771 D775 L776 Q779 S985 Y986 V987	M771-V983 HydrophobicContact CB-CG2 4.28Å; M771-V983 HydrophobicContact CE-CG2 4.41Å; M771-V983 HydrophobicContact CG-CG2 3.93Å; M771-V983 HydrophobicContact SD-CB 4.2Å; M771-V983 HydrophobicContact SD-CG1 4.14Å; M771-V983 HydrophobicContact SD-CG2 3.89Å; D775-V983 HydrophobicContact CB-CG1 4.32Å; D775-V983 HydrophobicContact CB-CG2 4.49Å; L776-V983 HydrophobicContact CD2-CG1 3.99Å; L776-V983 HydrophobicContact CG-CG1 4.4Å; Q779-V983 HydrophobicContact CB-CG1 4.13Å; Q779-V983 HydrophobicContact CG-CB 4.2Å; Q779-V983 HydrophobicContact CG-CG1 3.8Å; V983-S985 PolarHBondContact O-N 2.85Å; V983-Y986 PolarHBondContact O-N 3.21Å; V983-V987 HydrophobicContact CG1-CG2 4.35Å; V983-V987 WeakPolarHBondContact O-CB 3.42Å; V983-V987 VanDerWaalsContact O-CG2 3.3Å; V983-V987 WeakPolarHBondContact O-CG2 3.46Å; V983-V987 PolarHBondContact O-N 3.46Å
984	R	88.7	Confident	78.7	Confident	80 Å²	80	63.4 Å²	63.4	30%	0.302	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-47	176.5	-179.6	-178.7	176	162.2	5	111.3	A658 H980 Q981 V987 R988	A658-R984 PolarHBondContact O-NE 3.31Å; A658-R984 PolarHBondContact O-NH2 3.13Å; H980-R984 WeakPolarHBondContact O-CB 3.33Å; H980-R984 PolarHBondContact O-N 3.37Å; Q981-R984 WeakPolarHBondContact O-CB 3.27Å; Q981-R984 PolarHBondContact O-N 3.35Å; R984-V987 PolarHBondContact O-N 2.95Å; R984-R988 WeakPolarHBondContact O-CB 3.35Å; R984-R988 WeakPolarHBondContact O-CG 3.4Å; R984-R988 PolarHBondContact O-N 2.88Å; R984-R988 VanDerWaalsContact O-N 3.11Å
985	S	89.5	Confident	80.9	Confident	33 Å²	33	60.1 Å²	60.1	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-47.3	178.8	-66.9	0	0	0	0	111.2	Q981 D982 V983 R988 Q989	Q981-S985 WeakPolarHBondContact O-CB 3.27Å; Q981-S985 PolarHBondContact O-N 3.33Å; Q981-S985 PolarHBondContact O-OG 2.99Å; D982-S985 PolarHBondContact O-N 3.46Å; V983-S985 PolarHBondContact O-N 2.85Å; S985-R988 PolarHBondContact O-N 3.47Å; S985-Q989 VanDerWaalsContact O-CB 3.3Å; S985-Q989 WeakPolarHBondContact O-CB 3.37Å; S985-Q989 WeakPolarHBondContact O-CG 3.49Å; S985-Q989 PolarHBondContact O-N 3.11Å
986	Y	92.4	Very high	82.9	Confident	33 Å²	33	59.8 Å²	59.8	13%	0.129	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-50.7	177.1	177.3	-95.7	0	0	0	112.1	T764 T767 F768 M771 L776 W826 D982 V983 R988 Q989 L990	T764-Y986 PolarHBondContact OG1-OH 3.38Å; T764-Y986 VanDerWaalsContact OG1-OH 3.07Å; T767-Y986 HydrophobicContact CG2-CD2 4.32Å; F768-Y986 HydrophobicContact CB-CD1 4.14Å; F768-Y986 HydrophobicContact CB-CE1 3.57Å; F768-Y986 HydrophobicContact CB-CE2 4.17Å; F768-Y986 HydrophobicContact CD1-CE1 4.43Å; F768-Y986 HydrophobicContact CD1-CE2 4.42Å; F768-Y986 AromaticContact CD1-CZ 3.77Å; F768-Y986 WeakPolarHBondContact CD1-OH 3.26Å; F768-Y986 HydrophobicContact CG-CE1 4.06Å; F768-Y986 AromaticContact CG-CZ 3.85Å; F768-Y986 WeakPolarHBondContact CG-OH 3.2Å; M771-Y986 HydrophobicContact CE-CG 4.33Å; M771-Y986 HydrophobicContact SD-CD1 4.29Å; M771-Y986 HydrophobicContact SD-CG 4.37Å; L776-Y986 HydrophobicContact CD2-CD1 4.02Å; L776-Y986 HydrophobicContact CD2-CE1 4.24Å; W826-Y986 AromaticContact CZ2-CE1 3.93Å; W826-Y986 HydrophobicContact CZ2-CE1 3.93Å; W826-Y986 AromaticContact NE1-CZ 3.93Å; W826-Y986 PolarHBondContact NE1-OH 3.33Å; D982-Y986 WeakPolarHBondContact O-CB 3.47Å; D982-Y986 PolarHBondContact O-N 3.33Å; V983-Y986 PolarHBondContact O-N 3.21Å; Y986-R988 VanDerWaalsContact C-N 3.31Å; Y986-R988 PolarHBondContact O-N 3.36Å; Y986-Q989 PolarHBondContact O-N 3.45Å; Y986-L990 HydrophobicContact CE1-CD2 4.08Å
987	V	93.7	Very high	85.1	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-33.4	-175.9	167	0	0	0	0	113.4	L776 Q779 M780 R819 V983 R984	L776-V987 HydrophobicContact CD2-CG2 3.91Å; Q779-V987 HydrophobicContact CB-CB 4.4Å; Q779-V987 HydrophobicContact CB-CG1 4.48Å; Q779-V987 HydrophobicContact CB-CG2 4.16Å; M780-V987 HydrophobicContact CB-CG1 4.17Å; M780-V987 HydrophobicContact CG-CB 4.47Å; M780-V987 HydrophobicContact CG-CG1 3.51Å; M780-V987 HydrophobicContact CG-CG2 4.07Å; R819-V987 PolarHBondContact NH1-O 3.4Å; R819-V987 PolarHBondContact NH2-O 3.04Å; V983-V987 HydrophobicContact CG1-CG2 4.35Å; V983-V987 WeakPolarHBondContact O-CB 3.42Å; V983-V987 VanDerWaalsContact O-CG2 3.3Å; V983-V987 WeakPolarHBondContact O-CG2 3.46Å; V983-V987 PolarHBondContact O-N 3.46Å; R984-V987 PolarHBondContact O-N 2.95Å
988	R	91.5	Very high	86.9	Confident	12 Å²	12	59.8 Å²	59.8	5%	0.045	28%	0.281	C	S	.	.	H	α-helix	trans	-86	-8.3	-179	-67.3	-176.3	-174.1	-130.2	-7.3	113.7	Q659 Y783 E786 R984 S985 Y986	Q659-R988 PolarHBondContact O-NH1 3.37Å; Y783-R988 HydrophobicContact CD1-CG 4.15Å; Y783-R988 HydrophobicContact CD2-CG 3.79Å; Y783-R988 HydrophobicContact CE1-CG 4.42Å; Y783-R988 HydrophobicContact CE2-CG 4.08Å; Y783-R988 HydrophobicContact CG-CG 3.82Å; E786-R988 VanDerWaalsContact CD-NH2 3.29Å; E786-R988 IonicContact OE1-CZ 3.73Å; E786-R988 IonicContact OE1-NH1 3.41Å; E786-R988 PolarHBondContact OE1-NH1 3.36Å; E786-R988 IonicContact OE1-NH2 3.69Å; E786-R988 PolarHBondContact OE1-NH2 3.07Å; E786-R988 IonicContact OE2-CZ 2.67Å; E786-R988 IonicContact OE2-NH1 2.89Å; E786-R988 PolarHBondContact OE2-NH1 3.23Å; E786-R988 IonicContact OE2-NH2 3.04Å; E786-R988 PolarHBondContact OE2-NH2 3.12Å; R984-R988 WeakPolarHBondContact O-CB 3.35Å; R984-R988 WeakPolarHBondContact O-CG 3.4Å; R984-R988 PolarHBondContact O-N 2.88Å; R984-R988 VanDerWaalsContact O-N 3.11Å; S985-R988 PolarHBondContact O-N 3.47Å; Y986-R988 VanDerWaalsContact C-N 3.31Å; Y986-R988 PolarHBondContact O-N 3.36Å
989	Q	90.1	Very high	89	Confident	53 Å²	53	49.3 Å²	49.3	25%	0.248	24%	0.235	C	C	.	.	S	Bend	trans	-129.2	40.1	-171.9	-55.2	-175.9	22.4	0	0	112.2	G654 R657 S985 Y986 N991	G654-Q989 PolarHBondContact O-NE2 3.32Å; G654-Q989 VanDerWaalsContact O-NE2 3.07Å; R657-Q989 HydrophobicContact CB-CG 3.83Å; R657-Q989 HydrophobicContact CG-CG 4.45Å; S985-Q989 VanDerWaalsContact O-CB 3.3Å; S985-Q989 WeakPolarHBondContact O-CB 3.37Å; S985-Q989 WeakPolarHBondContact O-CG 3.49Å; S985-Q989 PolarHBondContact O-N 3.11Å; Y986-Q989 PolarHBondContact O-N 3.45Å; Q989-N991 PolarHBondContact O-N 2.61Å
990	L	92.7	Very high	90.7	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	22%	0.215	C	C	.	.			trans	-61.9	132.3	177.7	-61	178.9	0	0	0	110.4	E822 W826 Y986 V992	E822-L990 HydrophobicContact CG-CB 4.15Å; E822-L990 HydrophobicContact CG-CD1 4.28Å; W826-L990 HydrophobicContact CB-CD1 4.09Å; W826-L990 HydrophobicContact CD2-CD1 4.28Å; W826-L990 HydrophobicContact CD2-CD2 4.32Å; W826-L990 HydrophobicContact CG-CD1 4.06Å; W826-L990 HydrophobicContact CG-CD2 4.14Å; Y986-L990 HydrophobicContact CE1-CD2 4.08Å; L990-V992 HydrophobicContact CB-CG1 4.22Å
991	N	93.3	Very high	91.7	Very high	103 Å²	103	48.3 Å²	48.3	55%	0.551	23%	0.23	S	C	*	.			trans	-113	125.8	167.2	-67.6	-38.3	0	0	0	107	Q989	Q989-N991 PolarHBondContact O-N 2.61Å
992	V	96.1	Very high	92.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	21%	0.209	C	C	.	.			trans	-135.4	157	-169.4	-54.5	0	0	0	0	111	I736 N737 F825 W826 L990	I736-V992 HydrophobicContact CB-CG2 4.42Å; I736-V992 HydrophobicContact CD1-CG2 4.15Å; I736-V992 HydrophobicContact CG2-CG2 3.62Å; N737-V992 PolarHBondContact ND2-O 2.94Å; F825-V992 HydrophobicContact CB-CB 4.24Å; F825-V992 HydrophobicContact CB-CG2 4.11Å; W826-V992 HydrophobicContact CB-CG1 3.7Å; L990-V992 HydrophobicContact CB-CG1 4.22Å
993	I	97.3	Very high	92.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.184	C	C	.	.			trans	-90.9	119	166.4	-55.4	173.1	0	0	0	106.8	P760 F825 T829 L833 N995 T998 L999 M1002	P760-I993 HydrophobicContact CG-CG1 4.18Å; P760-I993 WeakPolarHBondContact O-CD1 3.4Å; F825-I993 WeakPolarHBondContact CD1-O 3.26Å; T829-I993 HydrophobicContact CG2-CB 4.4Å; T829-I993 HydrophobicContact CG2-CD1 4.12Å; T829-I993 HydrophobicContact CG2-CG1 3.92Å; T829-I993 PolarHBondContact OG1-N 2.92Å; T829-I993 PolarHBondContact OG1-O 3.42Å; L833-I993 HydrophobicContact CD1-CD1 4.26Å; L833-I993 HydrophobicContact CD2-CD1 4.35Å; L833-I993 HydrophobicContact CG-CD1 4.39Å; I993-N995 HydrophobicContact CG2-CB 4.34Å; I993-T998 HydrophobicContact CG2-CG2 4.28Å; I993-L999 HydrophobicContact CB-CD2 3.96Å; I993-L999 HydrophobicContact CB-CG 4.27Å; I993-L999 HydrophobicContact CD1-CD2 4.26Å; I993-L999 HydrophobicContact CG2-CD1 4.34Å; I993-L999 HydrophobicContact CG2-CD2 4.04Å; I993-L999 HydrophobicContact CG2-CG 3.88Å; I993-M1002 HydrophobicContact CD1-CE 3.84Å; I993-M1002 HydrophobicContact CD1-SD 3.98Å
994	D	95	Very high	93.1	Very high	20 Å²	20	42.8 Å²	42.8	11%	0.107	20%	0.201	C	C	.	.			trans	-104.8	2.2	174.6	67.8	-18.9	0	0	0	112.8	S716 I736 N737 F825 Q996	S716-D994 VanDerWaalsContact CB-OD1 3.23Å; S716-D994 WeakPolarHBondContact CB-OD1 3.42Å; S716-D994 PolarHBondContact OG-OD1 3.49Å; I736-D994 HydrophobicContact CB-CB 4.23Å; I736-D994 HydrophobicContact CD1-CB 4.03Å; I736-D994 PolarHBondContact N-OD2 2.6Å; N737-D994 WeakPolarHBondContact CB-OD1 3.38Å; N737-D994 PolarHBondContact N-OD2 3.22Å; N737-D994 PolarHBondContact ND2-OD1 3.18Å; F825-D994 HydrophobicContact CD2-CB 4.12Å; F825-D994 HydrophobicContact CE2-CB 4.32Å; F825-D994 HydrophobicContact CG-CB 4.27Å; D994-Q996 PolarHBondContact O-N 3.43Å
995	N	94.3	Very high	93.4	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.107	22%	0.22	C	C	.	.			trans	-83.6	102.2	173.3	-174.3	-23.4	0	0	0	110.7	S716 G717 I993 R997 T998 L999	S716-N995 PolarHBondContact O-ND2 2.61Å; S716-N995 PolarHBondContact OG-N 3.33Å; G717-N995 WeakPolarHBondContact CA-ND2 3.31Å; I993-N995 HydrophobicContact CG2-CB 4.34Å; N995-R997 VanDerWaalsContact C-N 3.28Å; N995-R997 PolarHBondContact O-N 3.38Å; N995-R997 WeakPolarHBondContact OD1-CB 3.25Å; N995-R997 PolarHBondContact OD1-N 3.48Å; N995-T998 VanDerWaalsContact CG-OG1 3.28Å; N995-T998 PolarHBondContact ND2-OG1 3.49Å; N995-T998 WeakPolarHBondContact O-CB 3.47Å; N995-T998 PolarHBondContact O-N 3.38Å; N995-T998 PolarHBondContact OD1-N 3.2Å; N995-L999 PolarHBondContact O-N 2.92Å; N995-L999 VanDerWaalsContact O-N 3.13Å
996	Q	92.1	Very high	93.7	Very high	61 Å²	61	48.3 Å²	48.3	29%	0.285	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-31.6	-178.7	-173.5	61.7	46.2	0	0	113.3	N872 D994 L999 S1000	N872-Q996 PolarHBondContact ND2-OE1 3.06Å; N872-Q996 PolarHBondContact OD1-NE2 3.01Å; D994-Q996 PolarHBondContact O-N 3.43Å; Q996-L999 PolarHBondContact O-N 3.45Å; Q996-S1000 PolarHBondContact NE2-OG 3.26Å; Q996-S1000 WeakPolarHBondContact O-CB 3.31Å; Q996-S1000 PolarHBondContact O-N 2.87Å; Q996-S1000 PolarHBondContact O-OG 3.43Å
997	R	88.4	Confident	93.8	Very high	185 Å²	185	47.5 Å²	47.5	70%	0.698	22%	0.217	S	C	*	.	H	α-helix	trans	-65.2	-44.6	176.9	-68.7	-177.6	-179.6	170.8	0.8	110.5	N995 S1000 Q1001	N995-R997 VanDerWaalsContact C-N 3.28Å; N995-R997 PolarHBondContact O-N 3.38Å; N995-R997 WeakPolarHBondContact OD1-CB 3.25Å; N995-R997 PolarHBondContact OD1-N 3.48Å; R997-S1000 PolarHBondContact O-N 3.27Å; R997-Q1001 WeakPolarHBondContact O-CG 3.25Å; R997-Q1001 PolarHBondContact O-N 3.17Å
998	T	92.6	Very high	93.8	Very high	26 Å²	26	52.2 Å²	52.2	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-48.3	176.1	-58.4	0	0	0	0	111.3	I993 N995 S1000 Q1001 M1002	I993-T998 HydrophobicContact CG2-CG2 4.28Å; N995-T998 VanDerWaalsContact CG-OG1 3.28Å; N995-T998 PolarHBondContact ND2-OG1 3.49Å; N995-T998 WeakPolarHBondContact O-CB 3.47Å; N995-T998 PolarHBondContact O-N 3.38Å; N995-T998 PolarHBondContact OD1-N 3.2Å; T998-S1000 PolarHBondContact O-N 3.47Å; T998-Q1001 PolarHBondContact O-N 2.87Å; T998-M1002 HydrophobicContact CG2-CE 3.69Å; T998-M1002 HydrophobicContact CG2-SD 4.3Å; T998-M1002 WeakPolarHBondContact O-CG 3.46Å; T998-M1002 PolarHBondContact O-N 3.43Å
999	L	94.6	Very high	93.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-44	178.4	-69.4	165.2	0	0	0	112.3	F825 V828 C832 A874 I993 N995 Q996 M1002 S1003	F825-L999 HydrophobicContact CD1-CD1 3.7Å; F825-L999 HydrophobicContact CE1-CD1 3.89Å; V828-L999 HydrophobicContact CB-CD1 4.26Å; V828-L999 HydrophobicContact CG1-CB 4.1Å; V828-L999 HydrophobicContact CG1-CD1 3.73Å; V828-L999 HydrophobicContact CG1-CD2 3.87Å; V828-L999 HydrophobicContact CG1-CG 4.1Å; C832-L999 HydrophobicContact CB-CD2 4.09Å; A874-L999 HydrophobicContact CB-CB 4.27Å; I993-L999 HydrophobicContact CB-CD2 3.96Å; I993-L999 HydrophobicContact CB-CG 4.27Å; I993-L999 HydrophobicContact CD1-CD2 4.26Å; I993-L999 HydrophobicContact CG2-CD1 4.34Å; I993-L999 HydrophobicContact CG2-CD2 4.04Å; I993-L999 HydrophobicContact CG2-CG 3.88Å; N995-L999 PolarHBondContact O-N 2.92Å; N995-L999 VanDerWaalsContact O-N 3.13Å; Q996-L999 PolarHBondContact O-N 3.45Å; L999-M1002 PolarHBondContact O-N 3.09Å; L999-S1003 WeakPolarHBondContact O-CB 3.19Å; L999-S1003 PolarHBondContact O-N 2.96Å
1000	S	92	Very high	91	Very high	27 Å²	27	69.2 Å²	69.2	19%	0.189	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-44.4	175.7	-67.8	0	0	0	0	111.6	Q996 R997 T998 M1002 S1003 H1004	Q996-S1000 PolarHBondContact NE2-OG 3.26Å; Q996-S1000 WeakPolarHBondContact O-CB 3.31Å; Q996-S1000 PolarHBondContact O-N 2.87Å; Q996-S1000 PolarHBondContact O-OG 3.43Å; R997-S1000 PolarHBondContact O-N 3.27Å; T998-S1000 PolarHBondContact O-N 3.47Å; S1000-M1002 PolarHBondContact O-N 2.89Å; S1000-S1003 WeakPolarHBondContact O-CB 3.22Å; S1000-S1003 PolarHBondContact O-N 2.97Å; S1000-H1004 PolarHBondContact O-N 2.83Å; S1000-H1004 PolarHBondContact O-ND1 2.98Å
1001	Q	92.9	Very high	91	Very high	104 Å²	104	72.3 Å²	72.3	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-41.6	176.6	-72.7	174.8	7.7	0	0	112.2	R997 T998 H1004 R1005	R997-Q1001 WeakPolarHBondContact O-CG 3.25Å; R997-Q1001 PolarHBondContact O-N 3.17Å; T998-Q1001 PolarHBondContact O-N 2.87Å; Q1001-H1004 PolarHBondContact O-N 2.79Å; Q1001-R1005 WeakPolarHBondContact O-CG 3.33Å; Q1001-R1005 PolarHBondContact O-N 3Å; Q1001-R1005 VanDerWaalsContact O-N 3.14Å
1002	M	96.6	Very high	90.8	Very high	41 Å²	41	70.6 Å²	70.6	20%	0.202	32%	0.322	C	S	.	.	H	α-helix	trans	-59.4	-47.3	174.1	-70.7	174.4	174.8	0	0	110.9	C832 L833 I993 T998 L999 S1000 H1004 R1005 L1006	C832-M1002 HydrophobicContact CB-CB 4.03Å; C832-M1002 HydrophobicContact CB-SD 4.37Å; L833-M1002 HydrophobicContact CD2-CE 3.96Å; L833-M1002 HydrophobicContact CD2-SD 3.95Å; I993-M1002 HydrophobicContact CD1-CE 3.84Å; I993-M1002 HydrophobicContact CD1-SD 3.98Å; T998-M1002 HydrophobicContact CG2-CE 3.69Å; T998-M1002 HydrophobicContact CG2-SD 4.3Å; T998-M1002 WeakPolarHBondContact O-CG 3.46Å; T998-M1002 PolarHBondContact O-N 3.43Å; L999-M1002 PolarHBondContact O-N 3.09Å; S1000-M1002 PolarHBondContact O-N 2.89Å; M1002-H1004 PolarHBondContact O-N 2.97Å; M1002-R1005 WeakPolarHBondContact O-CB 3.42Å; M1002-R1005 PolarHBondContact O-N 3.22Å; M1002-R1005 VanDerWaalsContact O-N 3.12Å; M1002-L1006 WeakPolarHBondContact O-CG 3.39Å; M1002-L1006 PolarHBondContact O-N 2.88Å
1003	S	96.7	Very high	90.6	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.5	-45.9	177.5	179.9	0	0	0	0	113	A874 R877 L878 L999 S1000 R1005 L1006 E1007	A874-S1003 WeakPolarHBondContact O-CB 3.32Å; A874-S1003 PolarHBondContact O-OG 3.23Å; R877-S1003 WeakPolarHBondContact CD-OG 3.33Å; R877-S1003 WeakPolarHBondContact CG-OG 3.37Å; L878-S1003 WeakPolarHBondContact CD2-OG 3.49Å; L999-S1003 WeakPolarHBondContact O-CB 3.19Å; L999-S1003 PolarHBondContact O-N 2.96Å; S1000-S1003 WeakPolarHBondContact O-CB 3.22Å; S1000-S1003 PolarHBondContact O-N 2.97Å; S1003-R1005 VanDerWaalsContact C-N 3.27Å; S1003-R1005 PolarHBondContact O-N 3.28Å; S1003-L1006 WeakPolarHBondContact O-CB 3.42Å; S1003-L1006 PolarHBondContact O-N 3.16Å; S1003-E1007 PolarHBondContact O-N 3.2Å
1004	H	94.1	Very high	90.2	Very high	85 Å²	85	78.8 Å²	78.8	39%	0.394	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-31.8	176.8	-72.5	87.6	0	0	0	113	R877 S1000 Q1001 M1002 L1006 E1007 P1008	R877-H1004 PolarHBondContact NH1-NE2 2.76Å; R877-H1004 VanDerWaalsContact NH1-NE2 3.18Å; S1000-H1004 PolarHBondContact O-N 2.83Å; S1000-H1004 PolarHBondContact O-ND1 2.98Å; Q1001-H1004 PolarHBondContact O-N 2.79Å; M1002-H1004 PolarHBondContact O-N 2.97Å; H1004-L1006 VanDerWaalsContact C-N 3.34Å; H1004-E1007 CarbonylContact O-C 3.54Å; H1004-P1008 WeakPolarHBondContact O-CA 3.27Å; H1004-P1008 WeakPolarHBondContact O-CG 3.26Å
1005	R	95.4	Very high	89.9	Confident	188 Å²	188	82.4 Å²	82.4	71%	0.709	38%	0.375	S	S	*	.	H	α-helix	trans	-72.7	-28.2	174.3	-67.3	172.6	-168.7	168.9	6.2	112.3	Q1001 M1002 S1003	Q1001-R1005 WeakPolarHBondContact O-CG 3.33Å; Q1001-R1005 PolarHBondContact O-N 3Å; Q1001-R1005 VanDerWaalsContact O-N 3.14Å; M1002-R1005 WeakPolarHBondContact O-CB 3.42Å; M1002-R1005 PolarHBondContact O-N 3.22Å; M1002-R1005 VanDerWaalsContact O-N 3.12Å; S1003-R1005 VanDerWaalsContact C-N 3.27Å; S1003-R1005 PolarHBondContact O-N 3.28Å
1006	L	95.7	Very high	89.6	Confident	41 Å²	41	86.6 Å²	86.6	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-75.4	-43.8	176.6	-67.8	178.2	0	0	0	112.4	C832 L878 M1002 S1003 H1004	C832-L1006 WeakPolarHBondContact O-CD1 3.31Å; L878-L1006 HydrophobicContact CD2-CB 4.41Å; M1002-L1006 WeakPolarHBondContact O-CG 3.39Å; M1002-L1006 PolarHBondContact O-N 2.88Å; S1003-L1006 WeakPolarHBondContact O-CB 3.42Å; S1003-L1006 PolarHBondContact O-N 3.16Å; H1004-L1006 VanDerWaalsContact C-N 3.34Å
1007	E	95.8	Very high	89.4	Confident	17 Å²	17	88.4 Å²	88.4	8%	0.079	40%	0.401	C	S	.	.	S	Bend	trans	-138.2	84.6	-180	-65.3	-176	-156.3	0	0	110.6	R840 L878 A879 L880 T881 S1003 H1004	R840-E1007 IonicContact CZ-OE1 3.42Å; R840-E1007 IonicContact NE-OE1 2.66Å; R840-E1007 IonicContact NH2-OE1 3.69Å; R840-E1007 PolarHBondContact NH2-OE1 2.82Å; L878-E1007 VanDerWaalsContact CA-OE2 3.23Å; L878-E1007 WeakPolarHBondContact CA-OE2 3.16Å; L878-E1007 HydrophobicContact CD2-CB 3.95Å; L878-E1007 HydrophobicContact CD2-CG 3.9Å; A879-E1007 PolarHBondContact N-OE2 3.43Å; L880-E1007 WeakPolarHBondContact CB-OE2 3.38Å; L880-E1007 HydrophobicContact CD1-CG 4.34Å; L880-E1007 PolarHBondContact N-OE2 3.4Å; T881-E1007 PolarHBondContact N-OE1 3.18Å; T881-E1007 PolarHBondContact OG1-OE1 3.09Å; S1003-E1007 PolarHBondContact O-N 3.2Å; H1004-E1007 CarbonylContact O-C 3.54Å
1008	P	92.1	Very high	89.5	Confident	101 Å²	101	81 Å²	81	66%	0.656	38%	0.378	S	S	*	.			trans	-61.9	137.7	176.3	-20.7	31.9	0	0	0	111.6	H1004	H1004-P1008 WeakPolarHBondContact O-CA 3.27Å; H1004-P1008 WeakPolarHBondContact O-CG 3.26Å
1009	R	80.1	Confident	89.2	Confident	160 Å²	160	85.6 Å²	85.6	60%	0.604	40%	0.396	S	S	*	.			trans	-113	132.8	168.1	-73.9	-173.8	174.4	177.1	-2.4	108.7	R877	R877-R1009 PolarHBondContact O-NH2 2.72Å; R877-R1009 VanDerWaalsContact O-NH2 3.12Å
1010	H	44.3	Very low	88.7	Confident	263 Å²	263	93.4 Å²	93.4	100%	1.218	43%	0.432	S	S	*	.			trans	-83.6	0	175.4	-79.1	-61.9	0	0	0	111.7

Retrieved 1,010 of 1,010 residues in 682.3 ms (Link to these results)

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