A0A077YZS1_TRITR Loading...

Asparagine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A077YZS1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,110 aa.

						>A0A077YZS1_TRITR|A0A077YZS1
MTEVRKVLMDGQNDCIRELKALHISEGRGSDEHGDGTTEKPFKTVLRVTAMMCFRKEPFPELLVEAGADSTEWAKVSQSQFKKCYRLWQQEMRKIERDDTKETQDTRRRFENLAAAKQIVIEEDGNLPKAITVKIRHVENNIGIRVRIYGWVHRLRRQGKRLMFLVLRDGTGFLQSVMTDKLCQTYDALTLSPESSIFVVGTLKKLPEGKEAPGGCELQADFWKLIGDAPPGGIDHVLNEDAHPDVLLDQRHLVLRGESLSKIMKVRGLLLAAFRAHYTSRGYYEVTPPTMVQTQVEGGSTLFKFDYYGEEAYLTQSSQLYLETCLPSLGDVYCIAMSYRAEKSRTRRHLSEYTHVEAECPFITFDELLCRLEDIVCDVAKRVVKSCEGHLVMELNPKFKIPSKPFRRMAYTDAIKWLNEHGVKKEDGFDFQFGDDIPEAPERLMTDTINEPIFLHSFPATLKSFYMSRREDNQLLTESVDLLMPNVGEVVGGSMRIWKEQELMDAFKRHGIDPEPYYWFTDQRKYGSCPHGGYGLGLERFLTWVTGRYHIRDTILYPRFVEPASNEIYISESTGSDDTGDGTSKKPFKTLLHAMKFVGVEPFPTFLADVPGEEEGWKPVSQSQFKKYHRLWQQELRKSKERTSKELEDAIRRDQNLEAAKSVLVEEDPNLPSPVVVKIRDAPNMVEKRVKVFGWVHRMRRQGKQLMFVVLRDGTGYLQCIISGKLCQTYDAIMLSQESSLFVIGTLTHVPEGKEAPGGCELAVDFWKIIGESPAGGIENVLNEEAHPDILLDQRHLVLRGENLSKIMKVRGQLLAAFRAHFHSRGYCEVTPPTMVQTQVEGGSTLFKFDYYGEEAYLTQSSQLYLETCLPSLGDVYCIAMSYRAEKSRTRRHLSEYTHVEAECPFITFDELLCRLEDIVCDVAKRVIESCEGHLVMELNPKFKIPSKPFRRMAYTDAIKWLNEHGVKKEDGFDFQFGDDIPEAPERLMTDTINEPIFLHSFPATLKSFYMSRREDNQLLTESVDLLMPNVGEVVGGSMRIWKEQELMDAFKRHGIDPEPYYWFTDQRKYGSCPHGGYGLGLERFLTWVTGRYHIRDTILYPRFVERCTP
					

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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	52.7	Low	54	Low	54 Å²	54	89.5 Å²	89.5	27%	0.266	47%	0.468	S	S	.	.				0	-45.3	0	-87.1	-77.7	-80.5	0	0	111.9	E3 V4 R5 A50 F54 W88 E91 M92	M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.99Å; M1-V4 CarbonylContact O-C 3.51Å; M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 VanDerWaalsContact O-CB 3.3Å; M1-V4 WeakPolarHBondContact O-CB 3.31Å; M1-V4 PolarHBondContact O-N 3.24Å; M1-V4 HydrophobicContact SD-CB 4.46Å; M1-V4 HydrophobicContact SD-CG2 4.37Å; M1-R5 PolarHBondContact O-N 3.3Å; M1-A50 HydrophobicContact SD-CB 3.63Å; M1-F54 HydrophobicContact CE-CE2 3.69Å; M1-F54 HydrophobicContact CE-CZ 4.02Å; M1-F54 HydrophobicContact SD-CE2 3.88Å; M1-W88 HydrophobicContact CE-CG 4.44Å; M1-E91 HydrophobicContact CB-CG 4.15Å; M1-E91 HydrophobicContact CE-CB 4.27Å; M1-E91 HydrophobicContact CE-CG 4.4Å; M1-E91 HydrophobicContact CG-CG 3.99Å; M1-M92 HydrophobicContact CE-CG 4.1Å; M1-M92 HydrophobicContact CE-SD 3.66Å
2	T	50.3	Low	53.8	Low	116 Å²	116	96 Å²	96	71%	0.712	50%	0.495	S	S	*	.	H	α-helix	trans	-58.6	-43	170.7	-34.1	0	0	0	0	111.9	V4 R5 K6	T2-V4 PolarHBondContact O-N 3.03Å; T2-R5 WeakPolarHBondContact O-CB 3.39Å; T2-R5 PolarHBondContact O-N 2.93Å; T2-K6 PolarHBondContact O-N 3.42Å
3	E	53.2	Low	53.9	Low	134 Å²	134	92 Å²	92	63%	0.626	48%	0.475	S	S	*	.	H	α-helix	trans	-63.7	-36.3	168.9	-77.4	169.2	164.6	0	0	113.1	M1 R5 K6 V7	M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.99Å; E3-R5 VanDerWaalsContact C-N 3.29Å; E3-R5 PolarHBondContact O-N 2.58Å; E3-K6 PolarHBondContact O-N 3.41Å; E3-V7 WeakPolarHBondContact O-CB 3.49Å; E3-V7 VanDerWaalsContact O-CG2 3.22Å; E3-V7 WeakPolarHBondContact O-CG2 3.41Å; E3-V7 PolarHBondContact O-N 3.21Å
4	V	54.3	Low	54.3	Low	12 Å²	12	94.1 Å²	94.1	7%	0.073	49%	0.487	C	S	.	.	H	α-helix	trans	-62.2	-41.2	174.1	-173.5	0	0	0	0	109.9	M1 T2 L8 R47 A50 F54	M1-V4 CarbonylContact O-C 3.51Å; M1-V4 WeakPolarHBondContact O-CA 3.47Å; M1-V4 VanDerWaalsContact O-CB 3.3Å; M1-V4 WeakPolarHBondContact O-CB 3.31Å; M1-V4 PolarHBondContact O-N 3.24Å; M1-V4 HydrophobicContact SD-CB 4.46Å; M1-V4 HydrophobicContact SD-CG2 4.37Å; T2-V4 PolarHBondContact O-N 3.03Å; V4-L8 HydrophobicContact CG1-CD1 3.63Å; V4-L8 HydrophobicContact CG1-CG 4.23Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 WeakPolarHBondContact O-CD1 3.45Å; V4-L8 WeakPolarHBondContact O-CG 3.47Å; V4-L8 PolarHBondContact O-N 3.47Å; V4-R47 VanDerWaalsContact CA-NH1 3.3Å; V4-A50 HydrophobicContact CG1-CB 4.14Å; V4-F54 HydrophobicContact CG1-CD2 4.37Å
5	R	58.9	Low	54.6	Low	112 Å²	112	93.8 Å²	93.8	42%	0.423	50%	0.495	S	S	.	.	H	α-helix	trans	-65.8	-41.8	176	-159.1	-179.9	-173.6	178	1.9	111.2	M1 T2 E3 M9	M1-R5 PolarHBondContact O-N 3.3Å; T2-R5 WeakPolarHBondContact O-CB 3.39Å; T2-R5 PolarHBondContact O-N 2.93Å; E3-R5 VanDerWaalsContact C-N 3.29Å; E3-R5 PolarHBondContact O-N 2.58Å; R5-M9 WeakPolarHBondContact O-CB 2.82Å; R5-M9 WeakPolarHBondContact O-CG 3.35Å; R5-M9 PolarHBondContact O-N 2.87Å; R5-M9 VanDerWaalsContact O-N 3.12Å
6	K	58	Low	55.4	Low	156 Å²	156	88.3 Å²	88.3	68%	0.678	47%	0.466	S	S	*	.	H	α-helix	trans	-62.4	-55	174.8	-118.7	-176.8	176.6	-174.3	0	111.4	T2 E3 L8 M9 D10	T2-K6 PolarHBondContact O-N 3.42Å; E3-K6 PolarHBondContact O-N 3.41Å; K6-L8 VanDerWaalsContact C-N 3.32Å; K6-L8 PolarHBondContact O-N 3.3Å; K6-M9 PolarHBondContact O-N 3.15Å; K6-M9 VanDerWaalsContact O-N 3.13Å; K6-D10 PolarHBondContact O-N 2.92Å; K6-D10 VanDerWaalsContact O-N 3.13Å
7	V	54.9	Low	55.9	Low	52 Å²	52	93.4 Å²	93.4	32%	0.315	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-32.3	-177.7	176.8	0	0	0	0	112.6	E3 D10 R47	E3-V7 WeakPolarHBondContact O-CB 3.49Å; E3-V7 VanDerWaalsContact O-CG2 3.22Å; E3-V7 WeakPolarHBondContact O-CG2 3.41Å; E3-V7 PolarHBondContact O-N 3.21Å; V7-D10 PolarHBondContact O-N 3.31Å; V7-R47 VanDerWaalsContact CG1-NH2 3.35Å
8	L	53.8	Low	56.6	Low	38 Å²	38	98 Å²	98	20%	0.199	50%	0.497	C	S	.	.	H	α-helix	trans	-74.4	-31.3	175.1	-79.4	171	0	0	0	113.6	V4 K6 D10 M51 F54 R55	V4-L8 HydrophobicContact CG1-CD1 3.63Å; V4-L8 HydrophobicContact CG1-CG 4.23Å; V4-L8 WeakPolarHBondContact O-CB 3.41Å; V4-L8 WeakPolarHBondContact O-CD1 3.45Å; V4-L8 WeakPolarHBondContact O-CG 3.47Å; V4-L8 PolarHBondContact O-N 3.47Å; K6-L8 VanDerWaalsContact C-N 3.32Å; K6-L8 PolarHBondContact O-N 3.3Å; L8-D10 VanDerWaalsContact C-N 3.27Å; L8-M51 HydrophobicContact CD2-CG 3.83Å; L8-F54 HydrophobicContact CD1-CB 3.46Å; L8-F54 VanDerWaalsContact CD1-CB 3.46Å; L8-F54 HydrophobicContact CD1-CD2 3.66Å; L8-F54 HydrophobicContact CD1-CG 3.76Å; L8-R55 HydrophobicContact CD2-CG 4.27Å
9	M	53.5	Low	57.5	Low	145 Å²	145	95.5 Å²	95.5	71%	0.714	48%	0.484	S	S	*	.	H	α-helix	trans	-71.4	-26.3	173.5	-67.4	-89.9	-148.2	0	0	111.2	R5 K6 G11	R5-M9 WeakPolarHBondContact O-CB 2.82Å; R5-M9 WeakPolarHBondContact O-CG 3.35Å; R5-M9 PolarHBondContact O-N 2.87Å; R5-M9 VanDerWaalsContact O-N 3.12Å; K6-M9 PolarHBondContact O-N 3.15Å; K6-M9 VanDerWaalsContact O-N 3.13Å; M9-G11 VanDerWaalsContact C-N 3.29Å; M9-G11 PolarHBondContact O-N 3.42Å
10	D	52.7	Low	58.7	Low	112 Å²	112	100.4 Å²	100.4	60%	0.599	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	4.8	-178.3	-72.4	-22.5	0	0	0	114.9	K6 V7 L8 Q12	K6-D10 PolarHBondContact O-N 2.92Å; K6-D10 VanDerWaalsContact O-N 3.13Å; V7-D10 PolarHBondContact O-N 3.31Å; L8-D10 VanDerWaalsContact C-N 3.27Å; D10-Q12 PolarHBondContact O-N 2.93Å
11	G	51.4	Low	60.1	Low	53 Å²	53	96.3 Å²	96.3	55%	0.546	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	2.6	163.7	0	0	0	0	0	117.9	M9 N13	M9-G11 VanDerWaalsContact C-N 3.29Å; M9-G11 PolarHBondContact O-N 3.42Å; G11-N13 PolarHBondContact O-N 2.91Å
12	Q	52.6	Low	61.9	Low	168 Å²	168	93.8 Å²	93.8	79%	0.785	47%	0.472	S	S	*	.			trans	-76.6	-0.5	-164	-81.4	-171.8	-12.2	0	0	118.5	D10	D10-Q12 PolarHBondContact O-N 2.93Å
13	N	54.6	Low	63.8	Low	44 Å²	44	89.5 Å²	89.5	24%	0.235	44%	0.444	C	S	.	.			trans	-128.4	67.9	-174.9	-90.6	-8.9	0	0	0	113.1	G11 I16 G34 R55	G11-N13 PolarHBondContact O-N 2.91Å; N13-I16 HydrophobicContact CB-CD1 3.77Å; N13-I16 HydrophobicContact CB-CG1 4.24Å; N13-G34 PolarHBondContact ND2-O 3.24Å; N13-R55 PolarHBondContact O-NH1 3.23Å; N13-R55 PolarHBondContact O-NH2 3.42Å
14	D	58.9	Low	65.6	Low	122 Å²	122	83.3 Å²	83.3	65%	0.652	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-75.6	-21.2	176.3	-111.6	-13.1	0	0	0	113.3	I16	D14-I16 PolarHBondContact O-N 3.47Å; D14-I16 VanDerWaalsContact O-N 3.15Å
15	C	60.1	Low	67.2	Low	89 Å²	89	82.7 Å²	82.7	60%	0.601	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-66.6	-19	-175.2	-39.7	0	0	0	0	114.2	R17 E18	C15-R17 VanDerWaalsContact C-N 3.26Å; C15-R17 PolarHBondContact O-N 3.46Å; C15-E18 PolarHBondContact O-N 3.16Å
16	I	66.1	Low	68.5	Low	6 Å²	6	84.6 Å²	84.6	3%	0.031	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-67.5	-27.2	-172.4	-60.4	-177.7	0	0	0	111.9	N13 D14 E18 L19 L22 F42 M51	N13-I16 HydrophobicContact CB-CD1 3.77Å; N13-I16 HydrophobicContact CB-CG1 4.24Å; D14-I16 PolarHBondContact O-N 3.47Å; D14-I16 VanDerWaalsContact O-N 3.15Å; I16-E18 PolarHBondContact O-N 3.41Å; I16-L19 PolarHBondContact O-N 3.28Å; I16-L22 HydrophobicContact CG2-CD1 4.02Å; I16-L22 HydrophobicContact CG2-CD2 3.78Å; I16-F42 HydrophobicContact CD1-CE2 4.25Å; I16-F42 HydrophobicContact CD1-CZ 3.7Å; I16-M51 HydrophobicContact CD1-CE 3.71Å; I16-M51 HydrophobicContact CD1-SD 3.45Å; I16-M51 WeakPolarHBondContact CD1-SD 3.29Å; I16-M51 HydrophobicContact CG2-CE 3.9Å
17	R	64.2	Low	69.6	Low	174 Å²	174	80.6 Å²	80.6	66%	0.657	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.3	-177.3	-81.4	-177.4	167.2	175.7	-0.3	114.1	C15 E57	C15-R17 VanDerWaalsContact C-N 3.26Å; C15-R17 PolarHBondContact O-N 3.46Å; R17-E57 IonicContact CZ-OE1 3.02Å; R17-E57 VanDerWaalsContact CZ-OE1 3.26Å; R17-E57 IonicContact NE-OE1 3.38Å; R17-E57 PolarHBondContact NE-OE1 3.32Å; R17-E57 IonicContact NH2-OE1 2.83Å; R17-E57 PolarHBondContact NH2-OE1 2.81Å
18	E	69.1	Low	71.1	Confident	177 Å²	177	84.2 Å²	84.2	83%	0.827	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-91.6	-10.4	-177.4	-60.4	-169.6	167.6	0	0	112.8	C15 I16 K20	C15-E18 PolarHBondContact O-N 3.16Å; I16-E18 PolarHBondContact O-N 3.41Å; E18-K20 PolarHBondContact O-N 3.26Å
19	L	74.4	Confident	72.5	Confident	50 Å²	50	82.9 Å²	82.9	26%	0.262	43%	0.431	S	S	.	.			trans	-81.9	113.4	-176.9	-64.8	175.5	0	0	0	111	I16 A21 L22 D35 T37	I16-L19 PolarHBondContact O-N 3.28Å; L19-A21 PolarHBondContact O-N 3.03Å; L19-L22 HydrophobicContact CB-CD2 3.94Å; L19-L22 HydrophobicContact CD1-CD2 3.65Å; L19-L22 HydrophobicContact CG-CD2 4.45Å; L19-D35 WeakPolarHBondContact CD1-O 3.31Å; L19-T37 HydrophobicContact CD1-CG2 3.97Å; L19-T37 HydrophobicContact CD2-CG2 4.04Å
20	K	80.8	Confident	74.2	Confident	194 Å²	194	77.7 Å²	77.7	84%	0.843	41%	0.409	S	S	*	.	S	Bend	trans	-62	-27.7	172.8	-71.8	-175.3	178.2	178	0	113	E18 P60 E61	E18-K20 PolarHBondContact O-N 3.26Å; K20-P60 WeakPolarHBondContact O-CB 3.44Å; K20-E61 PolarHBondContact O-N 3.28Å; K20-E61 VanDerWaalsContact O-N 3.15Å
21	A	88.5	Confident	75.8	Confident	15 Å²	15	74.3 Å²	74.3	12%	0.124	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.5	177.9	0	0	0	0	0	110.3	L19 E61 L63	L19-A21 PolarHBondContact O-N 3.03Å; A21-E61 CarbonylContact C-O 3.53Å; A21-E61 WeakPolarHBondContact CA-O 3.36Å; A21-E61 HydrophobicContact CB-CB 3.99Å; A21-E61 WeakPolarHBondContact CB-O 3.33Å; A21-L63 HydrophobicContact CB-CD1 3.69Å; A21-L63 HydrophobicContact CB-CG 4.11Å
22	L	90.5	Very high	77.1	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.1	171.9	-62.8	173.6	0	0	0	109.6	I16 L19 G36 F42 V48 M51 M52 P60 E61 L62 L63	I16-L22 HydrophobicContact CG2-CD1 4.02Å; I16-L22 HydrophobicContact CG2-CD2 3.78Å; L19-L22 HydrophobicContact CB-CD2 3.94Å; L19-L22 HydrophobicContact CD1-CD2 3.65Å; L19-L22 HydrophobicContact CG-CD2 4.45Å; L22-G36 WeakPolarHBondContact CA-O 3.33Å; L22-F42 HydrophobicContact CD1-CE2 4.46Å; L22-F42 HydrophobicContact CD2-CE2 4.33Å; L22-V48 HydrophobicContact CB-CG1 4.43Å; L22-V48 HydrophobicContact CD1-CG1 3.58Å; L22-M51 HydrophobicContact CD1-CE 4.03Å; L22-M52 HydrophobicContact CD1-SD 4.12Å; L22-P60 HydrophobicContact CB-CG 4.48Å; L22-P60 HydrophobicContact CD1-CG 3.52Å; L22-P60 HydrophobicContact CG-CG 3.59Å; L22-E61 PolarHBondContact N-O 3.07Å; L22-L62 HydrophobicContact CB-CD2 3.96Å; L22-L62 HydrophobicContact CD1-CD2 4.33Å; L22-L63 PolarHBondContact O-N 2.9Å
23	H	90.3	Very high	78.6	Confident	27 Å²	27	76.5 Å²	76.5	13%	0.125	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.6	-177	-59.9	82.9	0	0	0	109.9	G36 T38 P41 F42 L63 W73	H23-G36 PolarHBondContact N-O 3.24Å; H23-G36 PolarHBondContact ND1-O 2.81Å; H23-T38 VanDerWaalsContact CD2-CG2 3.4Å; H23-T38 WeakPolarHBondContact CD2-CG2 3.47Å; H23-T38 VanDerWaalsContact NE2-CG2 3.33Å; H23-T38 WeakPolarHBondContact NE2-CG2 3.4Å; H23-P41 HydrophobicContact CB-CB 3.96Å; H23-P41 CarbonylContact O-C 3.59Å; H23-P41 WeakPolarHBondContact O-CA 3.46Å; H23-P41 WeakPolarHBondContact O-CB 3.36Å; H23-F42 PolarHBondContact O-N 3.17Å; H23-L63 CarbonylContact C-O 3.51Å; H23-L63 WeakPolarHBondContact CA-O 3.37Å; H23-W73 HydrophobicContact CB-CE3 4.09Å; H23-W73 HydrophobicContact CB-CH2 3.74Å; H23-W73 HydrophobicContact CB-CZ2 4.16Å; H23-W73 HydrophobicContact CB-CZ3 3.71Å; H23-W73 AromaticContact CD2-CD2 3.48Å; H23-W73 VanDerWaalsContact CD2-CD2 3.48Å; H23-W73 AromaticContact CD2-CE2 3.63Å; H23-W73 AromaticContact CD2-CE3 3.78Å; H23-W73 AromaticContact CD2-CG 3.79Å
24	I	90.8	Very high	80	Confident	3 Å²	3	74.5 Å²	74.5	2%	0.015	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.1	-175.9	-61.1	143.4	0	0	0	107.6	F42 V45 V48 L62 L63 V64 E65 V76	I24-F42 CarbonylContact C-O 3.58Å; I24-F42 WeakPolarHBondContact CA-O 3.34Å; I24-F42 HydrophobicContact CG1-CB 4.23Å; I24-V45 HydrophobicContact CD1-CB 4.49Å; I24-V45 HydrophobicContact CD1-CG2 4.09Å; I24-V45 HydrophobicContact CG2-CG2 4.08Å; I24-V48 HydrophobicContact CD1-CG2 4.07Å; I24-V48 HydrophobicContact CG1-CG2 3.83Å; I24-L62 HydrophobicContact CD1-CB 4.07Å; I24-L62 HydrophobicContact CD1-CD2 4.33Å; I24-L63 PolarHBondContact N-O 3.03Å; I24-V64 HydrophobicContact CB-CG1 3.81Å; I24-V64 HydrophobicContact CD1-CG1 4.4Å; I24-V64 HydrophobicContact CG2-CG1 3.95Å; I24-V64 VanDerWaalsContact O-CA 3.25Å; I24-V64 WeakPolarHBondContact O-CA 3.26Å; I24-E65 PolarHBondContact O-N 2.89Å; I24-E65 VanDerWaalsContact O-N 3.12Å; I24-V76 HydrophobicContact CD1-CG2 4.13Å
25	S	88.2	Confident	81.3	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.355	C	S	.	.			trans	-130.4	119.1	177.5	168.4	0	0	0	0	108.5	G27 R28 G29 F42 K43 E65	S25-G27 PolarHBondContact O-N 3.45Å; S25-G27 PolarHBondContact OG-N 3.47Å; S25-R28 WeakPolarHBondContact OG-CB 3.46Å; S25-R28 PolarHBondContact OG-N 2.94Å; S25-G29 WeakPolarHBondContact O-CA 3.31Å; S25-G29 PolarHBondContact O-N 2.83Å; S25-F42 PolarHBondContact N-O 3.48Å; S25-K43 WeakPolarHBondContact O-CA 3.17Å; S25-E65 WeakPolarHBondContact CB-OE2 3.31Å; S25-E65 PolarHBondContact OG-OE2 3.13Å
26	E	84.8	Confident	82.5	Confident	152 Å²	152	66.1 Å²	66.1	71%	0.71	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.7	175.6	-76.3	-173.3	165.4	0	0	111.9
27	G	82.5	Confident	83.6	Confident	72 Å²	72	67.5 Å²	67.5	74%	0.742	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-46	-178.6	0	0	0	0	0	114.3	S25	S25-G27 PolarHBondContact O-N 3.45Å; S25-G27 PolarHBondContact OG-N 3.47Å
28	R	84.7	Confident	84.7	Confident	127 Å²	127	62.1 Å²	62.1	48%	0.479	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13	-174.4	-58.7	-173.5	-73.4	122.5	-6	113.8	S25 T38 P41 E65	S25-R28 WeakPolarHBondContact OG-CB 3.46Å; S25-R28 PolarHBondContact OG-N 2.94Å; R28-T38 PolarHBondContact NH1-O 2.82Å; R28-P41 HydrophobicContact CB-CG 4.35Å; R28-E65 IonicContact CZ-OE1 2.87Å; R28-E65 IonicContact NE-OE1 3.9Å; R28-E65 PolarHBondContact NE-OE1 3.27Å; R28-E65 IonicContact NE-OE2 2.85Å; R28-E65 IonicContact NH2-OE1 3.44Å; R28-E65 PolarHBondContact NH2-OE1 3.08Å
29	G	85.2	Confident	85.5	Confident	10 Å²	10	61.7 Å²	61.7	10%	0.103	32%	0.319	C	S	.	.			trans	-86	157	-172.9	0	0	0	0	0	114.6	S25 P41 K43	S25-G29 WeakPolarHBondContact O-CA 3.31Å; S25-G29 PolarHBondContact O-N 2.83Å; G29-P41 CarbonylContact C-O 3.51Å; G29-P41 WeakPolarHBondContact CA-O 3.49Å; G29-K43 WeakPolarHBondContact O-CB 3.21Å
30	S	88.6	Confident	86.2	Confident	37 Å²	37	65.2 Å²	65.2	26%	0.259	33%	0.332	S	S	.	.			trans	-127.4	132.8	171.9	177.1	0	0	0	0	110	E32 H33 G34 P41	S30-E32 VanDerWaalsContact C-N 3.34Å; S30-E32 PolarHBondContact OG-N 2.93Å; S30-H33 PolarHBondContact OG-N 2.89Å; S30-G34 WeakPolarHBondContact O-CA 3.27Å; S30-G34 PolarHBondContact O-N 3Å; S30-P41 PolarHBondContact N-O 3.4Å; S30-P41 VanDerWaalsContact N-O 3.1Å
31	D	85.2	Confident	86.6	Confident	40 Å²	40	56 Å²	56	21%	0.214	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.5	174	-78.7	-13.8	0	0	0	112.7	K43 T44 R47	D31-K43 HydrophobicContact CB-CB 4.35Å; D31-K43 WeakPolarHBondContact OD1-CA 3.4Å; D31-K43 WeakPolarHBondContact OD1-CB 3.34Å; D31-K43 PolarHBondContact OD1-N 3.43Å; D31-T44 PolarHBondContact OD1-N 3Å; D31-T44 WeakPolarHBondContact OD2-CB 3.47Å; D31-T44 VanDerWaalsContact OD2-CG2 3.26Å; D31-T44 WeakPolarHBondContact OD2-CG2 3.33Å; D31-T44 PolarHBondContact OD2-OG1 3.03Å; D31-R47 HydrophobicContact CB-CB 4.11Å; D31-R47 HydrophobicContact CB-CG 3.84Å; D31-R47 VanDerWaalsContact O-CZ 3.3Å; D31-R47 PolarHBondContact O-NE 3.22Å; D31-R47 VanDerWaalsContact OD1-CB 3.25Å; D31-R47 WeakPolarHBondContact OD1-CB 3.4Å
32	E	80	Confident	86.6	Confident	127 Å²	127	55.3 Å²	55.3	59%	0.593	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-41.7	172.5	-82.3	-176.4	139.8	0	0	112.4	S30	S30-E32 VanDerWaalsContact C-N 3.34Å; S30-E32 PolarHBondContact OG-N 2.93Å
33	H	84.4	Confident	86.5	Confident	140 Å²	140	60.1 Å²	60.1	65%	0.648	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-1.1	-169.9	-54.1	-47.9	0	0	0	114.3	S30	S30-H33 PolarHBondContact OG-N 2.89Å
34	G	82	Confident	86.5	Confident	2 Å²	2	61 Å²	61	2%	0.021	32%	0.315	C	S	.	.			trans	-68.9	137.9	174.5	0	0	0	0	0	111.1	N13 S30 K40 F42	N13-G34 PolarHBondContact ND2-O 3.24Å; S30-G34 WeakPolarHBondContact O-CA 3.27Å; S30-G34 PolarHBondContact O-N 3Å; G34-K40 CarbonylContact C-O 3.58Å; G34-K40 VanDerWaalsContact CA-O 3.31Å; G34-K40 WeakPolarHBondContact CA-O 3.45Å; G34-F42 WeakPolarHBondContact O-CE1 3.25Å; G34-F42 WeakPolarHBondContact O-CZ 3.39Å
35	D	86.4	Confident	86.3	Confident	36 Å²	36	61.3 Å²	61.3	19%	0.193	32%	0.317	C	S	.	.			trans	-107	-4.3	172.9	62.6	23.4	0	0	0	112.3	L19 T37 K40	L19-D35 WeakPolarHBondContact CD1-O 3.31Å; D35-T37 VanDerWaalsContact C-N 3.35Å; D35-T37 VanDerWaalsContact OD1-CB 3.22Å; D35-T37 WeakPolarHBondContact OD1-CB 3.5Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.49Å; D35-T37 PolarHBondContact OD1-N 3.32Å; D35-T37 PolarHBondContact OD1-OG1 2.91Å; D35-K40 PolarHBondContact N-O 3.27Å; D35-K40 WeakPolarHBondContact OD1-CB 3.41Å
36	G	86.2	Confident	86.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	84.9	3	178.4	0	0	0	0	0	114.6	L22 H23 K40 F42	L22-G36 WeakPolarHBondContact CA-O 3.33Å; H23-G36 PolarHBondContact N-O 3.24Å; H23-G36 PolarHBondContact ND1-O 2.81Å; G36-K40 PolarHBondContact N-O 3.39Å; G36-F42 VanDerWaalsContact CA-CD2 3.48Å; G36-F42 VanDerWaalsContact CA-CE2 3.47Å
37	T	88.8	Confident	86.3	Confident	34 Å²	34	58.2 Å²	58.2	21%	0.209	30%	0.303	C	S	.	.	S	Bend	trans	-71.4	167.2	166.6	64.9	0	0	0	0	110.9	L19 D35 E39 K40 P41	L19-T37 HydrophobicContact CD1-CG2 3.97Å; L19-T37 HydrophobicContact CD2-CG2 4.04Å; D35-T37 VanDerWaalsContact C-N 3.35Å; D35-T37 VanDerWaalsContact OD1-CB 3.22Å; D35-T37 WeakPolarHBondContact OD1-CB 3.5Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.49Å; D35-T37 PolarHBondContact OD1-N 3.32Å; D35-T37 PolarHBondContact OD1-OG1 2.91Å; T37-E39 PolarHBondContact O-N 3.23Å; T37-E39 PolarHBondContact OG1-N 3.47Å; T37-K40 CarbonylContact O-C 3.58Å; T37-K40 VanDerWaalsContact O-C 3.31Å; T37-K40 PolarHBondContact O-N 3.38Å; T37-K40 PolarHBondContact OG1-N 3.13Å; T37-P41 VanDerWaalsContact O-CA 3.23Å; T37-P41 WeakPolarHBondContact O-CA 3.41Å; T37-P41 WeakPolarHBondContact O-CD 3.48Å
38	T	86.7	Confident	86.4	Confident	62 Å²	62	54.8 Å²	54.8	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	-63.1	-22.9	171.7	41.5	0	0	0	0	113.5	H23 R28 W73	H23-T38 VanDerWaalsContact CD2-CG2 3.4Å; H23-T38 WeakPolarHBondContact CD2-CG2 3.47Å; H23-T38 VanDerWaalsContact NE2-CG2 3.33Å; H23-T38 WeakPolarHBondContact NE2-CG2 3.4Å; R28-T38 PolarHBondContact NH1-O 2.82Å; T38-W73 HydrophobicContact CG2-CZ2 3.91Å
39	E	86.2	Confident	86.5	Confident	168 Å²	168	48.8 Å²	48.8	79%	0.785	25%	0.245	S	C	*	.	S	Bend	trans	-84.6	-38.2	-179.2	-66.7	172.5	180	0	0	111.8	T37 P41	T37-E39 PolarHBondContact O-N 3.23Å; T37-E39 PolarHBondContact OG1-N 3.47Å; E39-P41 VanDerWaalsContact C-CD 3.47Å
40	K	89	Confident	86.4	Confident	123 Å²	123	48.3 Å²	48.3	54%	0.535	24%	0.24	S	C	.	.	S	Bend	trans	-128.5	66.6	174.6	-63.6	-178.5	-175.6	174.3	0	111.2	G34 D35 G36 T37	G34-K40 CarbonylContact C-O 3.58Å; G34-K40 VanDerWaalsContact CA-O 3.31Å; G34-K40 WeakPolarHBondContact CA-O 3.45Å; D35-K40 PolarHBondContact N-O 3.27Å; D35-K40 WeakPolarHBondContact OD1-CB 3.41Å; G36-K40 PolarHBondContact N-O 3.39Å; T37-K40 CarbonylContact O-C 3.58Å; T37-K40 VanDerWaalsContact O-C 3.31Å; T37-K40 PolarHBondContact O-N 3.38Å; T37-K40 PolarHBondContact OG1-N 3.13Å
41	P	89	Confident	86.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.229	C	C	.	.			trans	-62.8	156.2	-179.9	26.1	-33.4	0	0	0	111.1	H23 R28 G29 S30 T37 E39 W73	H23-P41 HydrophobicContact CB-CB 3.96Å; H23-P41 CarbonylContact O-C 3.59Å; H23-P41 WeakPolarHBondContact O-CA 3.46Å; H23-P41 WeakPolarHBondContact O-CB 3.36Å; R28-P41 HydrophobicContact CB-CG 4.35Å; G29-P41 CarbonylContact C-O 3.51Å; G29-P41 WeakPolarHBondContact CA-O 3.49Å; S30-P41 PolarHBondContact N-O 3.4Å; S30-P41 VanDerWaalsContact N-O 3.1Å; T37-P41 VanDerWaalsContact O-CA 3.23Å; T37-P41 WeakPolarHBondContact O-CA 3.41Å; T37-P41 WeakPolarHBondContact O-CD 3.48Å; E39-P41 VanDerWaalsContact C-CD 3.47Å; P41-W73 HydrophobicContact CB-CH2 4.02Å; P41-W73 HydrophobicContact CB-CZ3 4.49Å; P41-W73 HydrophobicContact CG-CH2 4.16Å
42	F	89.8	Confident	86.2	Confident	2 Å²	2	45 Å²	45	1%	0.009	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-67.7	153.2	167.3	-72.1	-70.7	0	0	0	110.2	I16 L22 H23 I24 S25 G34 G36 R47 V48 M51	I16-F42 HydrophobicContact CD1-CE2 4.25Å; I16-F42 HydrophobicContact CD1-CZ 3.7Å; L22-F42 HydrophobicContact CD1-CE2 4.46Å; L22-F42 HydrophobicContact CD2-CE2 4.33Å; H23-F42 PolarHBondContact O-N 3.17Å; I24-F42 CarbonylContact C-O 3.58Å; I24-F42 WeakPolarHBondContact CA-O 3.34Å; I24-F42 HydrophobicContact CG1-CB 4.23Å; S25-F42 PolarHBondContact N-O 3.48Å; G34-F42 WeakPolarHBondContact O-CE1 3.25Å; G34-F42 WeakPolarHBondContact O-CZ 3.39Å; G36-F42 VanDerWaalsContact CA-CD2 3.48Å; G36-F42 VanDerWaalsContact CA-CE2 3.47Å; F42-R47 HydrophobicContact CD1-CG 4.22Å; F42-V48 HydrophobicContact CB-CG2 3.44Å; F42-V48 VanDerWaalsContact CB-CG2 3.44Å; F42-V48 HydrophobicContact CD1-CG2 4.33Å; F42-V48 HydrophobicContact CD2-CG2 3.33Å; F42-V48 HydrophobicContact CE2-CG2 4.16Å; F42-V48 HydrophobicContact CG-CG2 3.43Å; F42-V48 VanDerWaalsContact CG-CG2 3.43Å; F42-M51 HydrophobicContact CE1-SD 4.23Å; F42-M51 HydrophobicContact CE2-CE 3.98Å; F42-M51 HydrophobicContact CE2-SD 4.35Å; F42-M51 HydrophobicContact CZ-CE 3.94Å; F42-M51 HydrophobicContact CZ-SD 3.69Å
43	K	88.8	Confident	86.4	Confident	101 Å²	101	40 Å²	40	44%	0.439	20%	0.198	S	C	.	.	S	Bend	trans	-79.2	-39.7	179.3	-166.2	171.5	-177.7	168.7	0	111.7	S25 G29 D31	S25-K43 WeakPolarHBondContact O-CA 3.17Å; G29-K43 WeakPolarHBondContact O-CB 3.21Å; D31-K43 HydrophobicContact CB-CB 4.35Å; D31-K43 WeakPolarHBondContact OD1-CA 3.4Å; D31-K43 WeakPolarHBondContact OD1-CB 3.34Å; D31-K43 PolarHBondContact OD1-N 3.43Å
44	T	88.8	Confident	86.1	Confident	46 Å²	46	36.1 Å²	36.1	28%	0.282	18%	0.18	S	C	.	.			trans	-128.8	141.5	-173.4	72.1	0	0	0	0	113.6	D31 L46 R47 V48	D31-T44 PolarHBondContact OD1-N 3Å; D31-T44 WeakPolarHBondContact OD2-CB 3.47Å; D31-T44 VanDerWaalsContact OD2-CG2 3.26Å; D31-T44 WeakPolarHBondContact OD2-CG2 3.33Å; D31-T44 PolarHBondContact OD2-OG1 3.03Å; T44-L46 PolarHBondContact O-N 2.97Å; T44-R47 PolarHBondContact O-N 3.06Å; T44-R47 WeakPolarHBondContact OG1-CB 3.04Å; T44-R47 PolarHBondContact OG1-N 2.81Å; T44-R47 VanDerWaalsContact OG1-N 3.15Å; T44-V48 PolarHBondContact O-N 3.07Å
45	V	87.4	Confident	85.9	Confident	8 Å²	8	39 Å²	39	5%	0.048	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-31.8	171.7	-175.3	0	0	0	0	110.6	I24 V48 T49 L62 V64 V76 Q80 C84	I24-V45 HydrophobicContact CD1-CB 4.49Å; I24-V45 HydrophobicContact CD1-CG2 4.09Å; I24-V45 HydrophobicContact CG2-CG2 4.08Å; V45-V48 PolarHBondContact O-N 2.84Å; V45-T49 VanDerWaalsContact O-CB 3.28Å; V45-T49 WeakPolarHBondContact O-CB 3.47Å; V45-T49 PolarHBondContact O-N 2.9Å; V45-T49 PolarHBondContact O-OG1 2.79Å; V45-L62 HydrophobicContact CG1-CD1 4.42Å; V45-V64 HydrophobicContact CG2-CG1 3.89Å; V45-V76 HydrophobicContact CG1-CG1 3.99Å; V45-V76 HydrophobicContact CG1-CG2 4.34Å; V45-V76 HydrophobicContact CG2-CG1 4.47Å; V45-V76 HydrophobicContact CG2-CG2 3.92Å; V45-Q80 HydrophobicContact CG2-CG 4.37Å; V45-C84 HydrophobicContact CG1-CB 4.14Å
46	L	86.8	Confident	85.6	Confident	64 Å²	64	46.5 Å²	46.5	34%	0.335	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-41.1	178.6	-178	63.3	0	0	0	111.8	T44 T49 A50 C84 L87	T44-L46 PolarHBondContact O-N 2.97Å; L46-T49 PolarHBondContact O-N 3.16Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.99Å; L46-C84 HydrophobicContact CD1-CB 4.32Å; L46-C84 WeakPolarHBondContact CD1-O 3.47Å; L46-L87 HydrophobicContact CD1-CB 3.88Å
47	R	85.1	Confident	85	Confident	24 Å²	24	48.3 Å²	48.3	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-49.8	175.8	175.6	64	-177.1	-157.9	4.8	111.4	V4 V7 D31 F42 T44 T49 A50 M51	V4-R47 VanDerWaalsContact CA-NH1 3.3Å; V7-R47 VanDerWaalsContact CG1-NH2 3.35Å; D31-R47 HydrophobicContact CB-CB 4.11Å; D31-R47 HydrophobicContact CB-CG 3.84Å; D31-R47 VanDerWaalsContact O-CZ 3.3Å; D31-R47 PolarHBondContact O-NE 3.22Å; D31-R47 VanDerWaalsContact OD1-CB 3.25Å; D31-R47 WeakPolarHBondContact OD1-CB 3.4Å; F42-R47 HydrophobicContact CD1-CG 4.22Å; T44-R47 PolarHBondContact O-N 3.06Å; T44-R47 WeakPolarHBondContact OG1-CB 3.04Å; T44-R47 PolarHBondContact OG1-N 2.81Å; T44-R47 VanDerWaalsContact OG1-N 3.15Å; R47-T49 VanDerWaalsContact C-N 3.3Å; R47-T49 PolarHBondContact O-N 2.76Å; R47-A50 PolarHBondContact O-N 2.88Å; R47-M51 VanDerWaalsContact O-CB 3.3Å; R47-M51 WeakPolarHBondContact O-CB 3.37Å; R47-M51 PolarHBondContact O-N 3.15Å
48	V	86.1	Confident	84.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-42.5	178.1	-173.4	0	0	0	0	110.6	L22 I24 F42 T44 V45 A50 M51 M52 L62	L22-V48 HydrophobicContact CB-CG1 4.43Å; L22-V48 HydrophobicContact CD1-CG1 3.58Å; I24-V48 HydrophobicContact CD1-CG2 4.07Å; I24-V48 HydrophobicContact CG1-CG2 3.83Å; F42-V48 HydrophobicContact CB-CG2 3.44Å; F42-V48 VanDerWaalsContact CB-CG2 3.44Å; F42-V48 HydrophobicContact CD1-CG2 4.33Å; F42-V48 HydrophobicContact CD2-CG2 3.33Å; F42-V48 HydrophobicContact CE2-CG2 4.16Å; F42-V48 HydrophobicContact CG-CG2 3.43Å; F42-V48 VanDerWaalsContact CG-CG2 3.43Å; T44-V48 PolarHBondContact O-N 3.07Å; V45-V48 PolarHBondContact O-N 2.84Å; V48-A50 PolarHBondContact O-N 3.17Å; V48-M51 HydrophobicContact CG1-CE 4.26Å; V48-M51 PolarHBondContact O-N 3.04Å; V48-M52 HydrophobicContact CG1-CG 4.13Å; V48-M52 VanDerWaalsContact O-CG 3.29Å; V48-M52 WeakPolarHBondContact O-CG 3.4Å; V48-M52 PolarHBondContact O-N 3.34Å; V48-L62 HydrophobicContact CG1-CD2 3.55Å
49	T	85.8	Confident	84.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-48.6	176.7	-54.5	0	0	0	0	111.6	V45 L46 R47 C53 F59 F81 C84 Y85	V45-T49 VanDerWaalsContact O-CB 3.28Å; V45-T49 WeakPolarHBondContact O-CB 3.47Å; V45-T49 PolarHBondContact O-N 2.9Å; V45-T49 PolarHBondContact O-OG1 2.79Å; L46-T49 PolarHBondContact O-N 3.16Å; R47-T49 VanDerWaalsContact C-N 3.3Å; R47-T49 PolarHBondContact O-N 2.76Å; T49-C53 VanDerWaalsContact O-CB 3.3Å; T49-C53 WeakPolarHBondContact O-CB 2.73Å; T49-C53 PolarHBondContact O-N 3.36Å; T49-C53 PolarHBondContact O-SG 3.5Å; T49-F59 HydrophobicContact CG2-CE1 4.49Å; T49-F59 HydrophobicContact CG2-CZ 4.05Å; T49-F81 HydrophobicContact CG2-CE2 4.38Å; T49-C84 HydrophobicContact CG2-CB 4.4Å; T49-Y85 HydrophobicContact CG2-CD2 4.07Å
50	A	83.6	Confident	84.3	Confident	1 Å²	1	46 Å²	46	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-45.9	177	0	0	0	0	0	111.8	M1 V4 L46 R47 V48 C53 F54	M1-A50 HydrophobicContact SD-CB 3.63Å; V4-A50 HydrophobicContact CG1-CB 4.14Å; L46-A50 WeakPolarHBondContact O-CB 3.42Å; L46-A50 PolarHBondContact O-N 2.99Å; R47-A50 PolarHBondContact O-N 2.88Å; V48-A50 PolarHBondContact O-N 3.17Å; A50-C53 PolarHBondContact O-N 3.49Å; A50-F54 WeakPolarHBondContact O-CB 3.36Å; A50-F54 WeakPolarHBondContact O-CD2 3.38Å; A50-F54 PolarHBondContact O-N 3.19Å
51	M	85	Confident	84.2	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-52.9	179.7	-177	-170.9	73.6	0	0	112.2	L8 I16 L22 F42 R47 V48 C53 F54 R55	L8-M51 HydrophobicContact CD2-CG 3.83Å; I16-M51 HydrophobicContact CD1-CE 3.71Å; I16-M51 HydrophobicContact CD1-SD 3.45Å; I16-M51 WeakPolarHBondContact CD1-SD 3.29Å; I16-M51 HydrophobicContact CG2-CE 3.9Å; L22-M51 HydrophobicContact CD1-CE 4.03Å; F42-M51 HydrophobicContact CE1-SD 4.23Å; F42-M51 HydrophobicContact CE2-CE 3.98Å; F42-M51 HydrophobicContact CE2-SD 4.35Å; F42-M51 HydrophobicContact CZ-CE 3.94Å; F42-M51 HydrophobicContact CZ-SD 3.69Å; R47-M51 VanDerWaalsContact O-CB 3.3Å; R47-M51 WeakPolarHBondContact O-CB 3.37Å; R47-M51 PolarHBondContact O-N 3.15Å; V48-M51 HydrophobicContact CG1-CE 4.26Å; V48-M51 PolarHBondContact O-N 3.04Å; M51-C53 PolarHBondContact O-N 3.16Å; M51-F54 PolarHBondContact O-N 3.41Å; M51-R55 WeakPolarHBondContact O-CG 3.47Å; M51-R55 PolarHBondContact O-N 3.3Å
52	M	84.5	Confident	84.3	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-38.7	-179.2	-61.5	-56.7	-66	0	0	111.8	L22 V48 R55 K56 E57 P58 F59 P60	L22-M52 HydrophobicContact CD1-SD 4.12Å; V48-M52 HydrophobicContact CG1-CG 4.13Å; V48-M52 VanDerWaalsContact O-CG 3.29Å; V48-M52 WeakPolarHBondContact O-CG 3.4Å; V48-M52 PolarHBondContact O-N 3.34Å; M52-R55 PolarHBondContact O-N 2.67Å; M52-K56 PolarHBondContact O-N 3.48Å; M52-E57 HydrophobicContact CE-CB 3.75Å; M52-E57 PolarHBondContact O-N 3.49Å; M52-P58 WeakPolarHBondContact CE-O 3.34Å; M52-F59 HydrophobicContact CB-CD1 3.89Å; M52-F59 HydrophobicContact CB-CD2 4.38Å; M52-F59 HydrophobicContact CB-CE1 3.41Å; M52-F59 VanDerWaalsContact CB-CE1 3.41Å; M52-F59 HydrophobicContact CB-CE2 3.96Å; M52-F59 HydrophobicContact CB-CG 4.36Å; M52-F59 HydrophobicContact CB-CZ 3.47Å; M52-F59 VanDerWaalsContact CB-CZ 3.47Å; M52-F59 HydrophobicContact CG-CD1 3.84Å; M52-F59 HydrophobicContact CG-CE1 3.64Å; M52-F59 HydrophobicContact CG-CZ 4.24Å; M52-P60 HydrophobicContact CE-CG 4.27Å
53	C	84.5	Confident	84.3	Confident	21 Å²	21	46.3 Å²	46.3	14%	0.142	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-41.6	176	-72	0	0	0	0	112.9	T49 A50 M51 K56 Y85 W88	T49-C53 VanDerWaalsContact O-CB 3.3Å; T49-C53 WeakPolarHBondContact O-CB 2.73Å; T49-C53 PolarHBondContact O-N 3.36Å; T49-C53 PolarHBondContact O-SG 3.5Å; A50-C53 PolarHBondContact O-N 3.49Å; M51-C53 PolarHBondContact O-N 3.16Å; C53-K56 PolarHBondContact O-N 3.25Å; C53-Y85 WeakPolarHBondContact SG-CE2 3.34Å; C53-W88 HydrophobicContact CB-CD2 3.75Å; C53-W88 VanDerWaalsContact CB-CE2 3.43Å; C53-W88 HydrophobicContact CB-CE3 3.96Å; C53-W88 HydrophobicContact CB-CH2 3.66Å; C53-W88 HydrophobicContact CB-CZ2 3.4Å; C53-W88 VanDerWaalsContact CB-CZ2 3.4Å; C53-W88 HydrophobicContact CB-CZ3 3.92Å
54	F	78.5	Confident	84.4	Confident	59 Å²	59	42.6 Å²	42.6	26%	0.259	21%	0.214	S	C	.	.	H	α-helix	trans	-66.2	-38.8	175.5	-89.3	-66.6	0	0	0	112.1	M1 V4 L8 A50 M51 K56 W88 M92	M1-F54 HydrophobicContact CE-CE2 3.69Å; M1-F54 HydrophobicContact CE-CZ 4.02Å; M1-F54 HydrophobicContact SD-CE2 3.88Å; V4-F54 HydrophobicContact CG1-CD2 4.37Å; L8-F54 HydrophobicContact CD1-CB 3.46Å; L8-F54 VanDerWaalsContact CD1-CB 3.46Å; L8-F54 HydrophobicContact CD1-CD2 3.66Å; L8-F54 HydrophobicContact CD1-CG 3.76Å; A50-F54 WeakPolarHBondContact O-CB 3.36Å; A50-F54 WeakPolarHBondContact O-CD2 3.38Å; A50-F54 PolarHBondContact O-N 3.19Å; M51-F54 PolarHBondContact O-N 3.41Å; F54-K56 PolarHBondContact O-N 3.12Å; F54-W88 AromaticContact CD2-NE1 3.97Å; F54-W88 AromaticContact CE2-NE1 3.8Å; F54-M92 HydrophobicContact CE1-CE 3.89Å; F54-M92 HydrophobicContact CE1-SD 3.97Å; F54-M92 HydrophobicContact CE2-SD 4.25Å; F54-M92 HydrophobicContact CZ-CE 4.04Å; F54-M92 HydrophobicContact CZ-SD 3.48Å; F54-M92 WeakPolarHBondContact CZ-SD 3.07Å
55	R	77.4	Confident	84.2	Confident	63 Å²	63	42.1 Å²	42.1	24%	0.238	21%	0.208	C	C	.	.	H	α-helix	trans	-72.9	-13	176.6	-71.7	-175.9	170.2	-169.7	-4.3	113.8	L8 N13 M51 M52 E57	L8-R55 HydrophobicContact CD2-CG 4.27Å; N13-R55 PolarHBondContact O-NH1 3.23Å; N13-R55 PolarHBondContact O-NH2 3.42Å; M51-R55 WeakPolarHBondContact O-CG 3.47Å; M51-R55 PolarHBondContact O-N 3.3Å; M52-R55 PolarHBondContact O-N 2.67Å; R55-E57 HydrophobicContact CB-CB 4.29Å; R55-E57 HydrophobicContact CB-CG 3.99Å; R55-E57 PolarHBondContact O-N 2.93Å
56	K	78.9	Confident	83.7	Confident	192 Å²	192	44.5 Å²	44.5	84%	0.835	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.8	-171.9	-58.6	-179.8	178.8	176.4	0	112.6	M52 C53 F54	M52-K56 PolarHBondContact O-N 3.48Å; C53-K56 PolarHBondContact O-N 3.25Å; F54-K56 PolarHBondContact O-N 3.12Å
57	E	75	Confident	82.9	Confident	38 Å²	38	42.9 Å²	42.9	18%	0.178	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-95.6	146.7	-179.8	-74.8	-175.4	178.6	0	0	110.7	R17 M52 R55	R17-E57 IonicContact CZ-OE1 3.02Å; R17-E57 VanDerWaalsContact CZ-OE1 3.26Å; R17-E57 IonicContact NE-OE1 3.38Å; R17-E57 PolarHBondContact NE-OE1 3.32Å; R17-E57 IonicContact NH2-OE1 2.83Å; R17-E57 PolarHBondContact NH2-OE1 2.81Å; M52-E57 HydrophobicContact CE-CB 3.75Å; M52-E57 PolarHBondContact O-N 3.49Å; R55-E57 HydrophobicContact CB-CB 4.29Å; R55-E57 HydrophobicContact CB-CG 3.99Å; R55-E57 PolarHBondContact O-N 2.93Å
58	P	79.9	Confident	81.8	Confident	117 Å²	117	46.2 Å²	46.2	76%	0.76	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-61.3	139.7	173.6	25	-31.8	0	0	0	110.3	M52 P60	M52-P58 WeakPolarHBondContact CE-O 3.34Å; P58-P60 WeakPolarHBondContact O-CD 3.43Å
59	F	83.3	Confident	80.7	Confident	70 Å²	70	54.1 Å²	54.1	31%	0.307	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-68.3	120.9	-179.6	-84.2	-88.2	0	0	0	111.2	T49 M52 L62 F81	T49-F59 HydrophobicContact CG2-CE1 4.49Å; T49-F59 HydrophobicContact CG2-CZ 4.05Å; M52-F59 HydrophobicContact CB-CD1 3.89Å; M52-F59 HydrophobicContact CB-CD2 4.38Å; M52-F59 HydrophobicContact CB-CE1 3.41Å; M52-F59 VanDerWaalsContact CB-CE1 3.41Å; M52-F59 HydrophobicContact CB-CE2 3.96Å; M52-F59 HydrophobicContact CB-CG 4.36Å; M52-F59 HydrophobicContact CB-CZ 3.47Å; M52-F59 VanDerWaalsContact CB-CZ 3.47Å; M52-F59 HydrophobicContact CG-CD1 3.84Å; M52-F59 HydrophobicContact CG-CE1 3.64Å; M52-F59 HydrophobicContact CG-CZ 4.24Å; F59-L62 HydrophobicContact CD1-CD1 4.05Å; F59-L62 HydrophobicContact CD1-CG 4.47Å; F59-L62 HydrophobicContact CE1-CD1 4.37Å; F59-F81 AromaticContact CD1-CE2 3.59Å; F59-F81 HydrophobicContact CD1-CE2 3.59Å; F59-F81 AromaticContact CD1-CZ 3.96Å; F59-F81 HydrophobicContact CD1-CZ 3.96Å; F59-F81 HydrophobicContact CD2-CE2 4.25Å; F59-F81 AromaticContact CD2-CZ 3.76Å; F59-F81 HydrophobicContact CD2-CZ 3.76Å; F59-F81 AromaticContact CE1-CE2 3.45Å; F59-F81 HydrophobicContact CE1-CE2 3.45Å; F59-F81 VanDerWaalsContact CE1-CE2 3.45Å; F59-F81 AromaticContact CE1-CZ 3.9Å; F59-F81 HydrophobicContact CE1-CZ 3.9Å; F59-F81 HydrophobicContact CE2-CE2 4.13Å; F59-F81 AromaticContact CE2-CZ 3.69Å; F59-F81 HydrophobicContact CE2-CZ 3.69Å; F59-F81 AromaticContact CG-CE2 3.99Å; F59-F81 HydrophobicContact CG-CE2 3.99Å; F59-F81 AromaticContact CG-CZ 3.89Å; F59-F81 HydrophobicContact CG-CZ 3.89Å; F59-F81 AromaticContact CZ-CE2 3.72Å; F59-F81 HydrophobicContact CZ-CE2 3.72Å; F59-F81 AromaticContact CZ-CZ 3.74Å; F59-F81 HydrophobicContact CZ-CZ 3.74Å
60	P	82.8	Confident	79.7	Confident	29 Å²	29	55.5 Å²	55.5	19%	0.188	31%	0.312	C	S	.	.			trans	-67.9	174.5	165	31.2	-34.8	0	0	0	109.5	K20 L22 M52 P58 L62	K20-P60 WeakPolarHBondContact O-CB 3.44Å; L22-P60 HydrophobicContact CB-CG 4.48Å; L22-P60 HydrophobicContact CD1-CG 3.52Å; L22-P60 HydrophobicContact CG-CG 3.59Å; M52-P60 HydrophobicContact CE-CG 4.27Å; P58-P60 WeakPolarHBondContact O-CD 3.43Å; P60-L62 PolarHBondContact O-N 3.42Å; P60-L62 VanDerWaalsContact O-N 3.16Å
61	E	87.7	Confident	79	Confident	92 Å²	92	61.7 Å²	61.7	43%	0.43	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	117.9	178.7	-158.6	160.2	-118.8	0	0	110.1	K20 A21 L22 L63 K75	K20-E61 PolarHBondContact O-N 3.28Å; K20-E61 VanDerWaalsContact O-N 3.15Å; A21-E61 CarbonylContact C-O 3.53Å; A21-E61 WeakPolarHBondContact CA-O 3.36Å; A21-E61 HydrophobicContact CB-CB 3.99Å; A21-E61 WeakPolarHBondContact CB-O 3.33Å; L22-E61 PolarHBondContact N-O 3.07Å; E61-L63 HydrophobicContact CG-CD2 4.33Å; E61-K75 HydrophobicContact CG-CD 4.45Å; E61-K75 HydrophobicContact CG-CG 4.31Å; E61-K75 WeakPolarHBondContact OE1-CE 3.31Å; E61-K75 IonicContact OE1-NZ 2.97Å; E61-K75 PolarHBondContact OE1-NZ 3.4Å
62	L	90.4	Very high	78.8	Confident	15 Å²	15	68.1 Å²	68.1	8%	0.079	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119	179.7	-59.3	-176	0	0	0	109.4	L22 I24 V45 V48 F59 P60 K75 V76 F81	L22-L62 HydrophobicContact CB-CD2 3.96Å; L22-L62 HydrophobicContact CD1-CD2 4.33Å; I24-L62 HydrophobicContact CD1-CB 4.07Å; I24-L62 HydrophobicContact CD1-CD2 4.33Å; V45-L62 HydrophobicContact CG1-CD1 4.42Å; V48-L62 HydrophobicContact CG1-CD2 3.55Å; F59-L62 HydrophobicContact CD1-CD1 4.05Å; F59-L62 HydrophobicContact CD1-CG 4.47Å; F59-L62 HydrophobicContact CE1-CD1 4.37Å; P60-L62 PolarHBondContact O-N 3.42Å; P60-L62 VanDerWaalsContact O-N 3.16Å; L62-K75 WeakPolarHBondContact O-CA 3.43Å; L62-V76 HydrophobicContact CB-CB 3.99Å; L62-V76 HydrophobicContact CB-CG2 3.69Å; L62-V76 PolarHBondContact O-N 3.24Å; L62-F81 HydrophobicContact CD1-CD2 3.72Å; L62-F81 HydrophobicContact CD1-CE2 3.91Å
63	L	90.6	Very high	79	Confident	24 Å²	24	70.8 Å²	70.8	13%	0.126	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.7	-177.1	-66.1	-178.4	0	0	0	109.4	A21 L22 H23 I24 E61 W73 A74 K75	A21-L63 HydrophobicContact CB-CD1 3.69Å; A21-L63 HydrophobicContact CB-CG 4.11Å; L22-L63 PolarHBondContact O-N 2.9Å; H23-L63 CarbonylContact C-O 3.51Å; H23-L63 WeakPolarHBondContact CA-O 3.37Å; I24-L63 PolarHBondContact N-O 3.03Å; E61-L63 HydrophobicContact CG-CD2 4.33Å; L63-W73 HydrophobicContact CB-CB 4.08Å; L63-W73 HydrophobicContact CD1-CB 4.32Å; L63-A74 CarbonylContact C-O 3.56Å; L63-A74 WeakPolarHBondContact CA-O 3.3Å; L63-K75 HydrophobicContact CD2-CG 3.82Å
64	V	89.5	Confident	79	Confident	24 Å²	24	71.9 Å²	71.9	15%	0.145	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146	173.7	-78.7	0	0	0	0	110.5	I24 V45 A66 W73 A74 V76	I24-V64 HydrophobicContact CB-CG1 3.81Å; I24-V64 HydrophobicContact CD1-CG1 4.4Å; I24-V64 HydrophobicContact CG2-CG1 3.95Å; I24-V64 VanDerWaalsContact O-CA 3.25Å; I24-V64 WeakPolarHBondContact O-CA 3.26Å; V45-V64 HydrophobicContact CG2-CG1 3.89Å; V64-A66 PolarHBondContact O-N 3.42Å; V64-W73 CarbonylContact O-C 3.53Å; V64-W73 WeakPolarHBondContact O-CA 3.22Å; V64-A74 WeakPolarHBondContact CG2-O 3.23Å; V64-A74 PolarHBondContact N-O 3.35Å; V64-A74 PolarHBondContact O-N 3.22Å; V64-V76 HydrophobicContact CB-CG2 4.3Å; V64-V76 HydrophobicContact CG1-CG2 3.47Å; V64-V76 VanDerWaalsContact CG1-CG2 3.47Å; V64-V76 HydrophobicContact CG2-CG2 4.05Å
65	E	85	Confident	79.5	Confident	35 Å²	35	75.5 Å²	75.5	16%	0.164	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	126.4	175.9	-155.8	170.2	-149.1	0	0	110.3	I24 S25 R28 G67 S70 W73	I24-E65 PolarHBondContact O-N 2.89Å; I24-E65 VanDerWaalsContact O-N 3.12Å; S25-E65 WeakPolarHBondContact CB-OE2 3.31Å; S25-E65 PolarHBondContact OG-OE2 3.13Å; R28-E65 IonicContact CZ-OE1 2.87Å; R28-E65 IonicContact NE-OE1 3.9Å; R28-E65 PolarHBondContact NE-OE1 3.27Å; R28-E65 IonicContact NE-OE2 2.85Å; R28-E65 IonicContact NH2-OE1 3.44Å; R28-E65 PolarHBondContact NH2-OE1 3.08Å; E65-G67 PolarHBondContact O-N 3.01Å; E65-S70 WeakPolarHBondContact CG-O 3.46Å; E65-W73 HydrophobicContact CB-CE3 4.23Å; E65-W73 HydrophobicContact CB-CZ3 4.04Å
66	A	77.7	Confident	80	Confident	58 Å²	58	73.3 Å²	73.3	48%	0.479	41%	0.41	S	S	.	.	S	Bend	trans	-71.1	-12.2	-170.4	0	0	0	0	0	113.9	V64 E72 A74	V64-A66 PolarHBondContact O-N 3.42Å; A66-E72 HydrophobicContact CB-CB 4.17Å; A66-E72 VanDerWaalsContact CB-O 3.29Å; A66-E72 WeakPolarHBondContact CB-O 3.19Å; A66-E72 PolarHBondContact N-O 2.84Å; A66-A74 HydrophobicContact CB-CB 4.17Å
67	G	69.6	Low	80.2	Confident	31 Å²	31	66.6 Å²	66.6	32%	0.32	39%	0.387	S	S	.	.	S	Bend	trans	-177	161.1	176.9	0	0	0	0	0	110.3	E65 D69 S70	E65-G67 PolarHBondContact O-N 3.01Å; G67-D69 PolarHBondContact O-N 2.81Å; G67-S70 PolarHBondContact O-N 3.29Å
68	A	61.6	Low	80.7	Confident	93 Å²	93	72.2 Å²	72.2	77%	0.769	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.9	-172.2	0	0	0	0	0	114.9
69	D	63.4	Low	81	Confident	167 Å²	167	70.8 Å²	70.8	89%	0.893	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	16	179.9	-58.2	-47.6	0	0	0	112.6	G67	G67-D69 PolarHBondContact O-N 2.81Å
70	S	64.7	Low	80.9	Confident	29 Å²	29	70.7 Å²	70.7	20%	0.203	41%	0.406	C	S	.	.			trans	-95.5	125.1	-176.5	168.7	0	0	0	0	111.2	E65 G67 E72	E65-S70 WeakPolarHBondContact CG-O 3.46Å; G67-S70 PolarHBondContact O-N 3.29Å; S70-E72 PolarHBondContact O-N 2.95Å; S70-E72 WeakPolarHBondContact OG-CA 3.45Å; S70-E72 VanDerWaalsContact OG-CB 3.29Å; S70-E72 WeakPolarHBondContact OG-CB 3.37Å; S70-E72 PolarHBondContact OG-N 3.48Å; S70-E72 PolarHBondContact OG-O 3.16Å
71	T	69.3	Low	81.1	Confident	130 Å²	130	72 Å²	72	80%	0.798	41%	0.409	S	S	*	.			trans	-73.9	-5.7	165.6	50	0	0	0	0	113.1
72	E	81	Confident	81.1	Confident	140 Å²	140	73.8 Å²	73.8	65%	0.654	42%	0.415	S	S	*	.			trans	-80.3	138.3	175	-56.6	-171	161.5	0	0	111.5	A66 S70	A66-E72 HydrophobicContact CB-CB 4.17Å; A66-E72 VanDerWaalsContact CB-O 3.29Å; A66-E72 WeakPolarHBondContact CB-O 3.19Å; A66-E72 PolarHBondContact N-O 2.84Å; S70-E72 PolarHBondContact O-N 2.95Å; S70-E72 WeakPolarHBondContact OG-CA 3.45Å; S70-E72 VanDerWaalsContact OG-CB 3.29Å; S70-E72 WeakPolarHBondContact OG-CB 3.37Å; S70-E72 PolarHBondContact OG-N 3.48Å; S70-E72 PolarHBondContact OG-O 3.16Å
73	W	87.4	Confident	81	Confident	60 Å²	60	80 Å²	80	23%	0.227	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.3	176.1	-60.7	95.2	0	0	0	109.7	H23 T38 P41 L63 V64 E65	H23-W73 HydrophobicContact CB-CE3 4.09Å; H23-W73 HydrophobicContact CB-CH2 3.74Å; H23-W73 HydrophobicContact CB-CZ2 4.16Å; H23-W73 HydrophobicContact CB-CZ3 3.71Å; H23-W73 AromaticContact CD2-CD2 3.48Å; H23-W73 VanDerWaalsContact CD2-CD2 3.48Å; H23-W73 AromaticContact CD2-CE2 3.63Å; H23-W73 AromaticContact CD2-CE3 3.78Å; H23-W73 AromaticContact CD2-CG 3.79Å; T38-W73 HydrophobicContact CG2-CZ2 3.91Å; P41-W73 HydrophobicContact CB-CH2 4.02Å; P41-W73 HydrophobicContact CB-CZ3 4.49Å; P41-W73 HydrophobicContact CG-CH2 4.16Å; L63-W73 HydrophobicContact CB-CB 4.08Å; L63-W73 HydrophobicContact CD1-CB 4.32Å; V64-W73 CarbonylContact O-C 3.53Å; V64-W73 WeakPolarHBondContact O-CA 3.22Å; E65-W73 HydrophobicContact CB-CE3 4.23Å; E65-W73 HydrophobicContact CB-CZ3 4.04Å
74	A	85.3	Confident	80.8	Confident	43 Å²	43	79.6 Å²	79.6	36%	0.355	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145.9	176.8	0	0	0	0	0	110.5	L63 V64 A66 V76	L63-A74 CarbonylContact C-O 3.56Å; L63-A74 WeakPolarHBondContact CA-O 3.3Å; V64-A74 WeakPolarHBondContact CG2-O 3.23Å; V64-A74 PolarHBondContact N-O 3.35Å; V64-A74 PolarHBondContact O-N 3.22Å; A66-A74 HydrophobicContact CB-CB 4.17Å; A74-V76 PolarHBondContact O-N 3.18Å
75	K	89.5	Confident	80.6	Confident	136 Å²	136	82.4 Å²	82.4	59%	0.591	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.7	134.3	171.5	-75	179.4	-177	-165.4	0	110.5	E61 L62 L63 S77	E61-K75 HydrophobicContact CG-CD 4.45Å; E61-K75 HydrophobicContact CG-CG 4.31Å; E61-K75 WeakPolarHBondContact OE1-CE 3.31Å; E61-K75 IonicContact OE1-NZ 2.97Å; E61-K75 PolarHBondContact OE1-NZ 3.4Å; L62-K75 WeakPolarHBondContact O-CA 3.43Å; L63-K75 HydrophobicContact CD2-CG 3.82Å; K75-S77 PolarHBondContact O-N 2.93Å; K75-S77 VanDerWaalsContact O-N 3.15Å
76	V	86.5	Confident	80.8	Confident	17 Å²	17	89 Å²	89	10%	0.103	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-51.6	123.5	167.9	169	0	0	0	0	108.4	I24 V45 L62 V64 A74 Q80 F81	I24-V76 HydrophobicContact CD1-CG2 4.13Å; V45-V76 HydrophobicContact CG1-CG1 3.99Å; V45-V76 HydrophobicContact CG1-CG2 4.34Å; V45-V76 HydrophobicContact CG2-CG1 4.47Å; V45-V76 HydrophobicContact CG2-CG2 3.92Å; L62-V76 HydrophobicContact CB-CB 3.99Å; L62-V76 HydrophobicContact CB-CG2 3.69Å; L62-V76 PolarHBondContact O-N 3.24Å; V64-V76 HydrophobicContact CB-CG2 4.3Å; V64-V76 HydrophobicContact CG1-CG2 3.47Å; V64-V76 VanDerWaalsContact CG1-CG2 3.47Å; V64-V76 HydrophobicContact CG2-CG2 4.05Å; A74-V76 PolarHBondContact O-N 3.18Å; V76-Q80 HydrophobicContact CG1-CB 3.97Å; V76-Q80 HydrophobicContact CG1-CG 4.15Å; V76-F81 HydrophobicContact CG1-CB 3.96Å
77	S	84.9	Confident	81.1	Confident	51 Å²	51	89.7 Å²	89.7	36%	0.357	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-59	143.2	179	67.1	0	0	0	0	110.6	K75 S79 Q80 F81	K75-S77 PolarHBondContact O-N 2.93Å; K75-S77 VanDerWaalsContact O-N 3.15Å; S77-S79 PolarHBondContact O-N 3.12Å; S77-S79 VanDerWaalsContact O-N 3.08Å; S77-S79 PolarHBondContact OG-OG 2.82Å; S77-Q80 PolarHBondContact O-N 3.48Å; S77-Q80 WeakPolarHBondContact OG-CB 3.48Å; S77-Q80 PolarHBondContact OG-N 2.9Å; S77-Q80 VanDerWaalsContact OG-N 3.14Å; S77-F81 PolarHBondContact O-N 3.18Å
78	Q	84.3	Confident	81.8	Confident	155 Å²	155	90 Å²	90	72%	0.724	46%	0.459	S	S	*	.	H	α-helix	trans	-55.4	-30.8	176.5	-80.2	-164.3	-0.5	0	0	112.4	K82	Q78-K82 VanDerWaalsContact O-CB 3.28Å; Q78-K82 WeakPolarHBondContact O-CB 3.32Å; Q78-K82 WeakPolarHBondContact O-CG 3.49Å; Q78-K82 PolarHBondContact O-N 2.63Å
79	S	85.6	Confident	82.8	Confident	87 Å²	87	88.8 Å²	88.8	61%	0.608	44%	0.438	S	S	*	.	H	α-helix	trans	-64.4	-45.2	173	40.4	0	0	0	0	112.7	S77 K83	S77-S79 PolarHBondContact O-N 3.12Å; S77-S79 VanDerWaalsContact O-N 3.08Å; S77-S79 PolarHBondContact OG-OG 2.82Å; S79-K83 WeakPolarHBondContact O-CB 3.38Å; S79-K83 PolarHBondContact O-N 2.83Å
80	Q	83.1	Confident	83.8	Confident	69 Å²	69	86.3 Å²	86.3	32%	0.322	42%	0.421	S	S	.	.	H	α-helix	trans	-68.3	-43.6	179.9	-173.8	176.7	11.5	0	0	111	V45 V76 S77 K83 C84	V45-Q80 HydrophobicContact CG2-CG 4.37Å; V76-Q80 HydrophobicContact CG1-CB 3.97Å; V76-Q80 HydrophobicContact CG1-CG 4.15Å; S77-Q80 PolarHBondContact O-N 3.48Å; S77-Q80 WeakPolarHBondContact OG-CB 3.48Å; S77-Q80 PolarHBondContact OG-N 2.9Å; S77-Q80 VanDerWaalsContact OG-N 3.14Å; Q80-K83 WeakPolarHBondContact O-CB 3.35Å; Q80-K83 PolarHBondContact O-N 2.87Å; Q80-C84 PolarHBondContact O-N 2.89Å
81	F	86.4	Confident	84.5	Confident	57 Å²	57	88.3 Å²	88.3	25%	0.25	43%	0.427	C	S	.	.	H	α-helix	trans	-60.1	-49.6	173.8	-178.1	-103	0	0	0	112.1	T49 F59 L62 V76 S77 K83 C84 Y85	T49-F81 HydrophobicContact CG2-CE2 4.38Å; F59-F81 AromaticContact CD1-CE2 3.59Å; F59-F81 HydrophobicContact CD1-CE2 3.59Å; F59-F81 AromaticContact CD1-CZ 3.96Å; F59-F81 HydrophobicContact CD1-CZ 3.96Å; F59-F81 HydrophobicContact CD2-CE2 4.25Å; F59-F81 AromaticContact CD2-CZ 3.76Å; F59-F81 HydrophobicContact CD2-CZ 3.76Å; F59-F81 AromaticContact CE1-CE2 3.45Å; F59-F81 HydrophobicContact CE1-CE2 3.45Å; F59-F81 VanDerWaalsContact CE1-CE2 3.45Å; F59-F81 AromaticContact CE1-CZ 3.9Å; F59-F81 HydrophobicContact CE1-CZ 3.9Å; F59-F81 HydrophobicContact CE2-CE2 4.13Å; F59-F81 AromaticContact CE2-CZ 3.69Å; F59-F81 HydrophobicContact CE2-CZ 3.69Å; F59-F81 AromaticContact CG-CE2 3.99Å; F59-F81 HydrophobicContact CG-CE2 3.99Å; F59-F81 AromaticContact CG-CZ 3.89Å; F59-F81 HydrophobicContact CG-CZ 3.89Å; F59-F81 AromaticContact CZ-CE2 3.72Å; F59-F81 HydrophobicContact CZ-CE2 3.72Å; F59-F81 AromaticContact CZ-CZ 3.74Å; F59-F81 HydrophobicContact CZ-CZ 3.74Å; L62-F81 HydrophobicContact CD1-CD2 3.72Å; L62-F81 HydrophobicContact CD1-CE2 3.91Å; V76-F81 HydrophobicContact CG1-CB 3.96Å; S77-F81 PolarHBondContact O-N 3.18Å; F81-K83 PolarHBondContact O-N 2.78Å; F81-C84 PolarHBondContact O-N 3.49Å; F81-Y85 WeakPolarHBondContact O-CB 3.38Å; F81-Y85 PolarHBondContact O-N 2.88Å
82	K	87.6	Confident	85	Confident	128 Å²	128	84.1 Å²	84.1	56%	0.557	40%	0.399	S	S	*	.	H	α-helix	trans	-59.2	-35.2	176.6	-81.9	179.8	178.5	173.4	0	112.4	Q78 R86	Q78-K82 VanDerWaalsContact O-CB 3.28Å; Q78-K82 WeakPolarHBondContact O-CB 3.32Å; Q78-K82 WeakPolarHBondContact O-CG 3.49Å; Q78-K82 PolarHBondContact O-N 2.63Å; K82-R86 WeakPolarHBondContact O-CB 3.39Å; K82-R86 PolarHBondContact O-N 2.88Å
83	K	88.4	Confident	85.1	Confident	147 Å²	147	84.8 Å²	84.8	64%	0.639	40%	0.396	S	S	*	.	H	α-helix	trans	-65.5	-50.9	175.4	-174.1	-177.7	178	-174.7	0	111	S79 Q80 F81 Y85 R86 L87	S79-K83 WeakPolarHBondContact O-CB 3.38Å; S79-K83 PolarHBondContact O-N 2.83Å; Q80-K83 WeakPolarHBondContact O-CB 3.35Å; Q80-K83 PolarHBondContact O-N 2.87Å; F81-K83 PolarHBondContact O-N 2.78Å; K83-Y85 PolarHBondContact O-N 3.21Å; K83-R86 PolarHBondContact O-N 3.4Å; K83-L87 HydrophobicContact CG-CD1 4.4Å; K83-L87 WeakPolarHBondContact O-CG 3.42Å; K83-L87 PolarHBondContact O-N 3.02Å
84	C	86.5	Confident	84.7	Confident	15 Å²	15	86.8 Å²	86.8	10%	0.101	41%	0.406	C	S	.	.	H	α-helix	trans	-62.7	-40.1	177.7	-69.9	0	0	0	0	112.4	V45 L46 T49 Q80 F81 L87 W88	V45-C84 HydrophobicContact CG1-CB 4.14Å; L46-C84 HydrophobicContact CD1-CB 4.32Å; L46-C84 WeakPolarHBondContact CD1-O 3.47Å; T49-C84 HydrophobicContact CG2-CB 4.4Å; Q80-C84 PolarHBondContact O-N 2.89Å; F81-C84 PolarHBondContact O-N 3.49Å; C84-L87 PolarHBondContact O-N 3.42Å; C84-W88 PolarHBondContact O-N 2.89Å
85	Y	85.8	Confident	84.3	Confident	83 Å²	83	86.3 Å²	86.3	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-64.7	-41.7	176.4	-171.7	-99.2	0	0	0	111.9	T49 C53 F81 K83 W88 Q89	T49-Y85 HydrophobicContact CG2-CD2 4.07Å; C53-Y85 WeakPolarHBondContact SG-CE2 3.34Å; F81-Y85 WeakPolarHBondContact O-CB 3.38Å; F81-Y85 PolarHBondContact O-N 2.88Å; K83-Y85 PolarHBondContact O-N 3.21Å; Y85-W88 HydrophobicContact CD2-CE3 4.49Å; Y85-W88 HydrophobicContact CE2-CE3 4.24Å; Y85-W88 HydrophobicContact CE2-CZ3 4.26Å; Y85-W88 PolarHBondContact O-N 2.6Å; Y85-Q89 HydrophobicContact CD1-CG 4.27Å; Y85-Q89 VanDerWaalsContact CE1-CD 3.45Å; Y85-Q89 HydrophobicContact CE1-CG 4.01Å; Y85-Q89 WeakPolarHBondContact O-CG 3.31Å; Y85-Q89 PolarHBondContact O-N 3.15Å
86	R	87.5	Confident	83.7	Confident	172 Å²	172	85.6 Å²	85.6	65%	0.649	40%	0.396	S	S	*	.	H	α-helix	trans	-62.3	-41.8	171.9	-85.7	-175.6	-171.1	168.2	3.4	112.7	K82 K83 Q89 Q90	K82-R86 WeakPolarHBondContact O-CB 3.39Å; K82-R86 PolarHBondContact O-N 2.88Å; K83-R86 PolarHBondContact O-N 3.4Å; R86-Q89 PolarHBondContact O-N 3.37Å; R86-Q90 WeakPolarHBondContact O-CB 3.37Å; R86-Q90 WeakPolarHBondContact O-CG 3.45Å; R86-Q90 PolarHBondContact O-N 3.01Å
87	L	84.4	Confident	83.3	Confident	73 Å²	73	92.8 Å²	92.8	38%	0.382	42%	0.421	S	S	.	.	H	α-helix	trans	-61.7	-44.4	177	-75.6	169	0	0	0	111.1	L46 K83 C84 Q90 E91	L46-L87 HydrophobicContact CD1-CB 3.88Å; K83-L87 HydrophobicContact CG-CD1 4.4Å; K83-L87 WeakPolarHBondContact O-CG 3.42Å; K83-L87 PolarHBondContact O-N 3.02Å; C84-L87 PolarHBondContact O-N 3.42Å; L87-Q90 PolarHBondContact O-N 2.83Å; L87-E91 PolarHBondContact O-N 3.4Å
88	W	84.1	Confident	82.9	Confident	37 Å²	37	94.2 Å²	94.2	14%	0.14	43%	0.425	C	S	.	.	H	α-helix	trans	-60.4	-45.7	173.5	173.7	80.6	0	0	0	112	M1 C53 F54 C84 Y85 Q90 E91 M92	M1-W88 HydrophobicContact CE-CG 4.44Å; C53-W88 HydrophobicContact CB-CD2 3.75Å; C53-W88 VanDerWaalsContact CB-CE2 3.43Å; C53-W88 HydrophobicContact CB-CE3 3.96Å; C53-W88 HydrophobicContact CB-CH2 3.66Å; C53-W88 HydrophobicContact CB-CZ2 3.4Å; C53-W88 VanDerWaalsContact CB-CZ2 3.4Å; C53-W88 HydrophobicContact CB-CZ3 3.92Å; F54-W88 AromaticContact CD2-NE1 3.97Å; F54-W88 AromaticContact CE2-NE1 3.8Å; C84-W88 PolarHBondContact O-N 2.89Å; Y85-W88 HydrophobicContact CD2-CE3 4.49Å; Y85-W88 HydrophobicContact CE2-CE3 4.24Å; Y85-W88 HydrophobicContact CE2-CZ3 4.26Å; Y85-W88 PolarHBondContact O-N 2.6Å; W88-Q90 VanDerWaalsContact C-N 3.32Å; W88-Q90 PolarHBondContact O-N 2.91Å; W88-E91 PolarHBondContact O-N 2.99Å; W88-M92 HydrophobicContact CD2-CG 4.07Å; W88-M92 HydrophobicContact CG-CG 4.49Å; W88-M92 HydrophobicContact CH2-CG 4.31Å; W88-M92 HydrophobicContact CZ2-CG 3.65Å; W88-M92 HydrophobicContact CZ2-SD 4.39Å; W88-M92 WeakPolarHBondContact O-CG 3.32Å; W88-M92 PolarHBondContact O-N 3.05Å
89	Q	84.2	Confident	82.5	Confident	68 Å²	68	90.3 Å²	90.3	32%	0.318	41%	0.409	S	S	.	.	H	α-helix	trans	-61.8	-37.6	176.2	-74.3	-172.8	-33.1	0	0	112.8	Y85 R86 R93	Y85-Q89 HydrophobicContact CD1-CG 4.27Å; Y85-Q89 VanDerWaalsContact CE1-CD 3.45Å; Y85-Q89 HydrophobicContact CE1-CG 4.01Å; Y85-Q89 WeakPolarHBondContact O-CG 3.31Å; Y85-Q89 PolarHBondContact O-N 3.15Å; R86-Q89 PolarHBondContact O-N 3.37Å; Q89-R93 WeakPolarHBondContact O-CB 3.49Å; Q89-R93 VanDerWaalsContact O-CG 3.28Å; Q89-R93 WeakPolarHBondContact O-CG 3.43Å; Q89-R93 PolarHBondContact O-N 2.9Å
90	Q	84	Confident	82.1	Confident	116 Å²	116	89.6 Å²	89.6	54%	0.542	40%	0.401	S	S	.	.	H	α-helix	trans	-65.3	-43.1	176	-77.8	176	-11.7	0	0	111.4	R86 L87 W88 R93 K94	R86-Q90 WeakPolarHBondContact O-CB 3.37Å; R86-Q90 WeakPolarHBondContact O-CG 3.45Å; R86-Q90 PolarHBondContact O-N 3.01Å; L87-Q90 PolarHBondContact O-N 2.83Å; W88-Q90 VanDerWaalsContact C-N 3.32Å; W88-Q90 PolarHBondContact O-N 2.91Å; Q90-R93 PolarHBondContact O-N 3.43Å; Q90-K94 PolarHBondContact O-N 2.93Å
91	E	78.5	Confident	81.8	Confident	71 Å²	71	92.2 Å²	92.2	33%	0.332	41%	0.411	S	S	.	.	H	α-helix	trans	-69.6	-39.2	179.1	-157.7	63.4	-162.9	0	0	111.7	M1 L87 W88 R93 K94 I95	M1-E91 HydrophobicContact CB-CG 4.15Å; M1-E91 HydrophobicContact CE-CB 4.27Å; M1-E91 HydrophobicContact CE-CG 4.4Å; M1-E91 HydrophobicContact CG-CG 3.99Å; L87-E91 PolarHBondContact O-N 3.4Å; W88-E91 PolarHBondContact O-N 2.99Å; E91-R93 PolarHBondContact O-N 2.95Å; E91-K94 WeakPolarHBondContact O-CA 3.44Å; E91-K94 WeakPolarHBondContact O-CB 3.35Å; E91-K94 PolarHBondContact O-N 2.65Å; E91-K94 IonicContact OE1-NZ 2.98Å; E91-I95 WeakPolarHBondContact O-CG1 3.13Å; E91-I95 PolarHBondContact O-N 2.81Å
92	M	79.5	Confident	81.2	Confident	42 Å²	42	95.7 Å²	95.7	21%	0.207	43%	0.428	C	S	.	.	H	α-helix	trans	-63.5	-41.1	173.7	-70.8	-57	-68.7	0	0	112	M1 F54 W88 K94 I95 E96	M1-M92 HydrophobicContact CE-CG 4.1Å; M1-M92 HydrophobicContact CE-SD 3.66Å; F54-M92 HydrophobicContact CE1-CE 3.89Å; F54-M92 HydrophobicContact CE1-SD 3.97Å; F54-M92 HydrophobicContact CE2-SD 4.25Å; F54-M92 HydrophobicContact CZ-CE 4.04Å; F54-M92 HydrophobicContact CZ-SD 3.48Å; F54-M92 WeakPolarHBondContact CZ-SD 3.07Å; W88-M92 HydrophobicContact CD2-CG 4.07Å; W88-M92 HydrophobicContact CG-CG 4.49Å; W88-M92 HydrophobicContact CH2-CG 4.31Å; W88-M92 HydrophobicContact CZ2-CG 3.65Å; W88-M92 HydrophobicContact CZ2-SD 4.39Å; W88-M92 WeakPolarHBondContact O-CG 3.32Å; W88-M92 PolarHBondContact O-N 3.05Å; M92-K94 PolarHBondContact O-N 3.03Å; M92-I95 PolarHBondContact O-N 2.97Å; M92-I95 HydrophobicContact SD-CD1 4.36Å; M92-E96 WeakPolarHBondContact O-CB 3.26Å; M92-E96 WeakPolarHBondContact O-CG 3.45Å; M92-E96 PolarHBondContact O-N 3.34Å
93	R	82.7	Confident	80.6	Confident	154 Å²	154	94.2 Å²	94.2	58%	0.581	43%	0.43	S	S	*	.	H	α-helix	trans	-66.5	-21.5	172.5	-75.2	178	-176.7	-177.8	2.2	113.3	Q89 Q90 E91 R97	Q89-R93 WeakPolarHBondContact O-CB 3.49Å; Q89-R93 VanDerWaalsContact O-CG 3.28Å; Q89-R93 WeakPolarHBondContact O-CG 3.43Å; Q89-R93 PolarHBondContact O-N 2.9Å; Q90-R93 PolarHBondContact O-N 3.43Å; E91-R93 PolarHBondContact O-N 2.95Å; R93-R97 WeakPolarHBondContact O-CB 3.46Å; R93-R97 WeakPolarHBondContact O-CG 3.17Å; R93-R97 PolarHBondContact O-N 3.43Å; R93-R97 PolarHBondContact O-NE 2.91Å
94	K	80.7	Confident	80	Confident	101 Å²	101	93.1 Å²	93.1	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-78.6	-49.5	174.4	-174.9	-174.1	168.9	-163.6	0	109.4	Q90 E91 M92 E96 R97 D98	Q90-K94 PolarHBondContact O-N 2.93Å; E91-K94 WeakPolarHBondContact O-CA 3.44Å; E91-K94 WeakPolarHBondContact O-CB 3.35Å; E91-K94 PolarHBondContact O-N 2.65Å; E91-K94 IonicContact OE1-NZ 2.98Å; M92-K94 PolarHBondContact O-N 3.03Å; K94-E96 PolarHBondContact O-N 2.92Å; K94-R97 CarbonylContact O-C 3.56Å; K94-R97 WeakPolarHBondContact O-CB 3.38Å; K94-R97 PolarHBondContact O-N 3.4Å; K94-R97 VanDerWaalsContact O-N 3.1Å; K94-D98 VanDerWaalsContact O-CG 3.28Å; K94-D98 PolarHBondContact O-N 2.92Å
95	I	75.7	Confident	79.5	Confident	34 Å²	34	96.1 Å²	96.1	17%	0.174	44%	0.442	C	S	.	.	H	α-helix	trans	-57.8	-48.3	175	-65.3	167.6	0	0	0	111.1	E91 M92 R97 D98 D99	E91-I95 WeakPolarHBondContact O-CG1 3.13Å; E91-I95 PolarHBondContact O-N 2.81Å; M92-I95 PolarHBondContact O-N 2.97Å; M92-I95 HydrophobicContact SD-CD1 4.36Å; I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 3.22Å; I95-D98 PolarHBondContact O-N 3.45Å; I95-D98 VanDerWaalsContact O-N 3.16Å; I95-D99 WeakPolarHBondContact O-CB 3.49Å; I95-D99 PolarHBondContact O-N 3.46Å
96	E	76.7	Confident	79.1	Confident	120 Å²	120	96.4 Å²	96.4	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-61.4	-36.5	176.5	-77.8	177.7	169.6	0	0	112.4	M92 K94 T100	M92-E96 WeakPolarHBondContact O-CB 3.26Å; M92-E96 WeakPolarHBondContact O-CG 3.45Å; M92-E96 PolarHBondContact O-N 3.34Å; K94-E96 PolarHBondContact O-N 2.92Å; E96-T100 WeakPolarHBondContact O-CB 3.21Å; E96-T100 PolarHBondContact O-N 3.18Å; E96-T100 PolarHBondContact O-OG1 3.2Å
97	R	78.6	Confident	78.6	Confident	168 Å²	168	96.4 Å²	96.4	63%	0.634	45%	0.453	S	S	*	.	H	α-helix	trans	-68.2	-40.6	174.8	-90	-176.7	-81	178.9	-3.4	111.6	R93 K94 I95 K101	R93-R97 WeakPolarHBondContact O-CB 3.46Å; R93-R97 WeakPolarHBondContact O-CG 3.17Å; R93-R97 PolarHBondContact O-N 3.43Å; R93-R97 PolarHBondContact O-NE 2.91Å; K94-R97 CarbonylContact O-C 3.56Å; K94-R97 WeakPolarHBondContact O-CB 3.38Å; K94-R97 PolarHBondContact O-N 3.4Å; K94-R97 VanDerWaalsContact O-N 3.1Å; I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 3.22Å; R97-K101 WeakPolarHBondContact O-CB 3.24Å; R97-K101 PolarHBondContact O-N 3.44Å
98	D	76.8	Confident	78.3	Confident	81 Å²	81	99.8 Å²	99.8	43%	0.433	46%	0.461	S	S	.	.	H	α-helix	trans	-68.3	-46.6	178.9	-67.2	-22	0	0	0	110.6	K94 I95 T100 K101 E102	K94-D98 VanDerWaalsContact O-CG 3.28Å; K94-D98 PolarHBondContact O-N 2.92Å; I95-D98 PolarHBondContact O-N 3.45Å; I95-D98 VanDerWaalsContact O-N 3.16Å; D98-T100 PolarHBondContact O-N 2.77Å; D98-K101 WeakPolarHBondContact O-CB 3.4Å; D98-K101 PolarHBondContact O-N 3.14Å; D98-E102 WeakPolarHBondContact O-CB 3.4Å; D98-E102 PolarHBondContact O-N 3.1Å
99	D	75.2	Confident	78.1	Confident	73 Å²	73	106.3 Å²	106.3	39%	0.39	49%	0.486	S	S	.	.	H	α-helix	trans	-61.5	-42.9	174.9	-77	2.1	0	0	0	111.7	I95 K101 E102 T103	I95-D99 WeakPolarHBondContact O-CB 3.49Å; I95-D99 PolarHBondContact O-N 3.46Å; D99-K101 VanDerWaalsContact C-N 3.34Å; D99-E102 PolarHBondContact O-N 2.64Å; D99-T103 WeakPolarHBondContact O-CB 3.29Å; D99-T103 PolarHBondContact O-N 3.35Å; D99-T103 PolarHBondContact O-OG1 2.88Å
100	T	76.9	Confident	77.9	Confident	73 Å²	73	110.6 Å²	110.6	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-41.3	176.3	-58.7	0	0	0	0	110.7	E96 D98 T103 Q104	E96-T100 WeakPolarHBondContact O-CB 3.21Å; E96-T100 PolarHBondContact O-N 3.18Å; E96-T100 PolarHBondContact O-OG1 3.2Å; D98-T100 PolarHBondContact O-N 2.77Å; T100-T103 PolarHBondContact O-N 2.64Å; T100-Q104 HydrophobicContact CG2-CG 4.38Å; T100-Q104 VanDerWaalsContact O-CB 3.31Å; T100-Q104 WeakPolarHBondContact O-CB 3.38Å; T100-Q104 VanDerWaalsContact O-CG 3.23Å; T100-Q104 WeakPolarHBondContact O-CG 3.41Å; T100-Q104 PolarHBondContact O-N 3.01Å
101	K	78.3	Confident	77.7	Confident	123 Å²	123	109.7 Å²	109.7	54%	0.535	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-43.5	177.8	-176.2	-178	175.3	-167.7	0	111.1	R97 D98 D99 T103 Q104 D105	R97-K101 WeakPolarHBondContact O-CB 3.24Å; R97-K101 PolarHBondContact O-N 3.44Å; D98-K101 WeakPolarHBondContact O-CB 3.4Å; D98-K101 PolarHBondContact O-N 3.14Å; D99-K101 VanDerWaalsContact C-N 3.34Å; K101-T103 PolarHBondContact O-N 2.75Å; K101-Q104 PolarHBondContact O-N 2.84Å; K101-D105 VanDerWaalsContact O-CB 3.23Å; K101-D105 WeakPolarHBondContact O-CB 3.05Å; K101-D105 PolarHBondContact O-N 3.28Å
102	E	73.5	Confident	77.8	Confident	130 Å²	130	109.7 Å²	109.7	61%	0.607	50%	0.501	S	S	*	.	H	α-helix	trans	-63.5	-41.4	176.6	-172.7	172.4	-169.8	0	0	111.9	D98 D99 D105 T106	D98-E102 WeakPolarHBondContact O-CB 3.4Å; D98-E102 PolarHBondContact O-N 3.1Å; D99-E102 PolarHBondContact O-N 2.64Å; E102-D105 PolarHBondContact O-N 3.42Å; E102-T106 WeakPolarHBondContact O-CB 3.37Å; E102-T106 PolarHBondContact O-N 3.4Å; E102-T106 PolarHBondContact O-OG1 3.12Å
103	T	75.5	Confident	78	Confident	98 Å²	98	109.4 Å²	109.4	60%	0.601	50%	0.5	S	S	*	.	H	α-helix	trans	-65.1	-44.6	175	-54.3	0	0	0	0	111.5	D99 T100 K101 T106 R107	D99-T103 WeakPolarHBondContact O-CB 3.29Å; D99-T103 PolarHBondContact O-N 3.35Å; D99-T103 PolarHBondContact O-OG1 2.88Å; T100-T103 PolarHBondContact O-N 2.64Å; K101-T103 PolarHBondContact O-N 2.75Å; T103-T106 PolarHBondContact O-N 3.39Å; T103-R107 WeakPolarHBondContact O-CB 3.39Å; T103-R107 PolarHBondContact O-N 2.88Å
104	Q	75.8	Confident	78	Confident	123 Å²	123	104.3 Å²	104.3	58%	0.575	49%	0.491	S	S	*	.	H	α-helix	trans	-64.7	-41.5	176	-76.6	178	0.1	0	0	112	T100 K101 R107 R108	T100-Q104 HydrophobicContact CG2-CG 4.38Å; T100-Q104 VanDerWaalsContact O-CB 3.31Å; T100-Q104 WeakPolarHBondContact O-CB 3.38Å; T100-Q104 VanDerWaalsContact O-CG 3.23Å; T100-Q104 WeakPolarHBondContact O-CG 3.41Å; T100-Q104 PolarHBondContact O-N 3.01Å; K101-Q104 PolarHBondContact O-N 2.84Å; Q104-R107 PolarHBondContact O-N 2.94Å; Q104-R108 WeakPolarHBondContact O-CB 3.38Å; Q104-R108 PolarHBondContact O-N 3.31Å
105	D	75.8	Confident	78.1	Confident	78 Å²	78	102 Å²	102	42%	0.417	49%	0.491	S	S	.	.	H	α-helix	trans	-66.6	-39.7	178.1	-76.9	-21.1	0	0	0	110.9	K101 E102 R108 R109	K101-D105 VanDerWaalsContact O-CB 3.23Å; K101-D105 WeakPolarHBondContact O-CB 3.05Å; K101-D105 PolarHBondContact O-N 3.28Å; E102-D105 PolarHBondContact O-N 3.42Å; D105-R108 PolarHBondContact O-N 3.28Å; D105-R109 VanDerWaalsContact O-CB 3.29Å; D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 2.88Å
106	T	76.3	Confident	78.5	Confident	90 Å²	90	100.6 Å²	100.6	55%	0.552	49%	0.485	S	S	*	.	H	α-helix	trans	-63.3	-47.6	174.1	-58.8	0	0	0	0	111.5	E102 T103 R109 F110	E102-T106 WeakPolarHBondContact O-CB 3.37Å; E102-T106 PolarHBondContact O-N 3.4Å; E102-T106 PolarHBondContact O-OG1 3.12Å; T103-T106 PolarHBondContact O-N 3.39Å; T106-R109 WeakPolarHBondContact O-CB 3.33Å; T106-R109 PolarHBondContact O-N 3.49Å; T106-F110 PolarHBondContact O-N 3.42Å
107	R	78.1	Confident	78.9	Confident	171 Å²	171	101.4 Å²	101.4	65%	0.645	49%	0.486	S	S	*	.	H	α-helix	trans	-61.2	-45.9	175.5	-178	177.3	173.6	162.9	3.2	111.5	T103 Q104 R109 F110 E111	T103-R107 WeakPolarHBondContact O-CB 3.39Å; T103-R107 PolarHBondContact O-N 2.88Å; Q104-R107 PolarHBondContact O-N 2.94Å; R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.36Å; R107-F110 WeakPolarHBondContact O-CB 3.34Å; R107-F110 PolarHBondContact O-N 3.18Å; R107-F110 VanDerWaalsContact O-N 3.16Å; R107-E111 HydrophobicContact CG-CG 4.5Å; R107-E111 WeakPolarHBondContact CG-OE1 3.25Å; R107-E111 IonicContact CZ-OE1 3.53Å; R107-E111 IonicContact NE-OE1 2.81Å; R107-E111 PolarHBondContact NE-OE1 3.45Å; R107-E111 IonicContact NH2-OE1 3.5Å; R107-E111 WeakPolarHBondContact O-CG 3.34Å; R107-E111 PolarHBondContact O-N 3.36Å
108	R	77.7	Confident	79.1	Confident	144 Å²	144	101.4 Å²	101.4	54%	0.543	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-37.3	177.5	-170.6	-178.6	-174.8	-172.4	4.6	111.6	Q104 D105 N112	Q104-R108 WeakPolarHBondContact O-CB 3.38Å; Q104-R108 PolarHBondContact O-N 3.31Å; D105-R108 PolarHBondContact O-N 3.28Å; R108-N112 VanDerWaalsContact O-CB 3.25Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 PolarHBondContact O-N 3.46Å; R108-N112 PolarHBondContact O-ND2 3.33Å; R108-N112 VanDerWaalsContact O-ND2 3.08Å
109	R	79.5	Confident	79.6	Confident	175 Å²	175	100.1 Å²	100.1	66%	0.66	49%	0.486	S	S	*	.	H	α-helix	trans	-64	-44.2	173.9	-172	176.9	-178.6	179.2	-0.7	111	D105 T106 R107 N112 L113	D105-R109 VanDerWaalsContact O-CB 3.29Å; D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 2.88Å; T106-R109 WeakPolarHBondContact O-CB 3.33Å; T106-R109 PolarHBondContact O-N 3.49Å; R107-R109 VanDerWaalsContact C-N 3.3Å; R107-R109 PolarHBondContact O-N 3.36Å; R109-N112 PolarHBondContact O-N 2.84Å; R109-L113 HydrophobicContact CG-CD1 4.23Å; R109-L113 WeakPolarHBondContact O-CB 3.36Å; R109-L113 VanDerWaalsContact O-CG 3.29Å; R109-L113 WeakPolarHBondContact O-CG 3.26Å; R109-L113 PolarHBondContact O-N 3.19Å
110	F	80.2	Confident	80.1	Confident	158 Å²	158	102 Å²	102	69%	0.693	50%	0.5	S	S	*	.	H	α-helix	trans	-63.1	-46.2	176.2	-168.5	-92.4	0	0	0	112.1	T106 R107 L113 A114	T106-F110 PolarHBondContact O-N 3.42Å; R107-F110 WeakPolarHBondContact O-CB 3.34Å; R107-F110 PolarHBondContact O-N 3.18Å; R107-F110 VanDerWaalsContact O-N 3.16Å; F110-L113 PolarHBondContact O-N 3.3Å; F110-A114 WeakPolarHBondContact O-CB 3.32Å; F110-A114 PolarHBondContact O-N 2.94Å
111	E	80.1	Confident	80.8	Confident	97 Å²	97	100.3 Å²	100.3	45%	0.453	49%	0.488	S	S	.	.	H	α-helix	trans	-61.8	-43	175.8	-72	171.9	-176.5	0	0	111.7	R107 A114 A115	R107-E111 HydrophobicContact CG-CG 4.5Å; R107-E111 WeakPolarHBondContact CG-OE1 3.25Å; R107-E111 IonicContact CZ-OE1 3.53Å; R107-E111 IonicContact NE-OE1 2.81Å; R107-E111 PolarHBondContact NE-OE1 3.45Å; R107-E111 IonicContact NH2-OE1 3.5Å; R107-E111 WeakPolarHBondContact O-CG 3.34Å; R107-E111 PolarHBondContact O-N 3.36Å; E111-A114 PolarHBondContact O-N 3.46Å; E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.89Å
112	N	79.7	Confident	81.4	Confident	70 Å²	70	102.2 Å²	102.2	37%	0.374	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-42.5	175.8	-72.2	-27.4	0	0	0	112.2	R108 R109 A115 A116	R108-N112 VanDerWaalsContact O-CB 3.25Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 PolarHBondContact O-N 3.46Å; R108-N112 PolarHBondContact O-ND2 3.33Å; R108-N112 VanDerWaalsContact O-ND2 3.08Å; R109-N112 PolarHBondContact O-N 2.84Å; N112-A115 PolarHBondContact O-N 3.09Å; N112-A116 WeakPolarHBondContact O-CB 3.23Å; N112-A116 PolarHBondContact O-N 2.97Å
113	L	84.6	Confident	82.2	Confident	36 Å²	36	99.2 Å²	99.2	19%	0.188	49%	0.485	C	S	.	.	H	α-helix	trans	-66.6	-39.6	176.9	-74.5	171.7	0	0	0	111.5	R109 F110 A116 K117 Y186 L189 T190	R109-L113 HydrophobicContact CG-CD1 4.23Å; R109-L113 WeakPolarHBondContact O-CB 3.36Å; R109-L113 VanDerWaalsContact O-CG 3.29Å; R109-L113 WeakPolarHBondContact O-CG 3.26Å; R109-L113 PolarHBondContact O-N 3.19Å; F110-L113 PolarHBondContact O-N 3.3Å; L113-A116 PolarHBondContact O-N 3.37Å; L113-K117 WeakPolarHBondContact O-CG 3.41Å; L113-K117 PolarHBondContact O-N 2.89Å; L113-K117 VanDerWaalsContact O-N 3.14Å; L113-Y186 HydrophobicContact CB-CD2 4.29Å; L113-Y186 HydrophobicContact CB-CE2 4.11Å; L113-Y186 HydrophobicContact CD2-CD2 3.96Å; L113-Y186 HydrophobicContact CD2-CE2 3.87Å; L113-Y186 HydrophobicContact CG-CE2 4.43Å; L113-L189 HydrophobicContact CD2-CB 3.89Å; L113-L189 HydrophobicContact CD2-CD1 4.28Å; L113-T190 HydrophobicContact CD2-CG2 3.93Å
114	A	81.7	Confident	82.9	Confident	47 Å²	47	98.2 Å²	98.2	39%	0.388	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-42	174.9	0	0	0	0	0	111.8	F110 E111 K117	F110-A114 WeakPolarHBondContact O-CB 3.32Å; F110-A114 PolarHBondContact O-N 2.94Å; E111-A114 PolarHBondContact O-N 3.46Å; A114-K117 PolarHBondContact O-N 3.45Å
115	A	82.8	Confident	83.5	Confident	53 Å²	53	96 Å²	96	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-40.2	173.8	0	0	0	0	0	112.1	E111 N112 K117 Q118	E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.89Å; N112-A115 PolarHBondContact O-N 3.09Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 3.12Å; A115-Q118 WeakPolarHBondContact O-CB 3.49Å; A115-Q118 PolarHBondContact O-N 3.07Å; A115-Q118 VanDerWaalsContact O-N 3.08Å
116	A	84	Confident	84.2	Confident	5 Å²	5	99.4 Å²	99.4	4%	0.041	50%	0.504	C	S	.	.	H	α-helix	trans	-65.5	-27.2	179.8	0	0	0	0	0	113.7	N112 L113 Q118 I119 Q184 Y186 L189	N112-A116 WeakPolarHBondContact O-CB 3.23Å; N112-A116 PolarHBondContact O-N 2.97Å; L113-A116 PolarHBondContact O-N 3.37Å; A116-Q118 PolarHBondContact O-N 3.3Å; A116-I119 PolarHBondContact O-N 3.41Å; A116-I119 VanDerWaalsContact O-N 3.09Å; A116-Q184 WeakPolarHBondContact CB-O 3.38Å; A116-Y186 PolarHBondContact O-N 3Å; A116-L189 HydrophobicContact CB-CD1 3.47Å; A116-L189 VanDerWaalsContact CB-CD1 3.47Å; A116-L189 HydrophobicContact CB-CG 4.3Å
117	K	85.3	Confident	84.9	Confident	137 Å²	137	98.3 Å²	98.3	60%	0.596	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.1	172.4	-73.4	179.5	178.2	-175.7	0	113.4	L113 A114 A115 I119 Y186	L113-K117 WeakPolarHBondContact O-CG 3.41Å; L113-K117 PolarHBondContact O-N 2.89Å; L113-K117 VanDerWaalsContact O-N 3.14Å; A114-K117 PolarHBondContact O-N 3.45Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 3.12Å; K117-I119 VanDerWaalsContact C-N 3.34Å; K117-Y186 HydrophobicContact CD-CD2 4.29Å; K117-Y186 HydrophobicContact CD-CE2 4.5Å; K117-Y186 VanDerWaalsContact CE-CE2 3.47Å; K117-Y186 HydrophobicContact CG-CD2 3.59Å; K117-Y186 HydrophobicContact CG-CE2 4.27Å; K117-Y186 HydrophobicContact CG-CG 3.93Å
118	Q	84	Confident	85.5	Confident	168 Å²	168	94.6 Å²	94.6	79%	0.785	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.2	176.4	-59.4	-175.6	-16.2	0	0	112.8	A115 A116 V120	A115-Q118 WeakPolarHBondContact O-CB 3.49Å; A115-Q118 PolarHBondContact O-N 3.07Å; A115-Q118 VanDerWaalsContact O-N 3.08Å; A116-Q118 PolarHBondContact O-N 3.3Å; Q118-V120 PolarHBondContact O-N 3.12Å
119	I	86.6	Confident	86.3	Confident	54 Å²	54	97 Å²	97	28%	0.277	51%	0.507	S	S	.	.			trans	-91.8	99.7	179.2	-56.8	176.6	0	0	0	108.1	A116 K117 Q184 T185	A116-I119 PolarHBondContact O-N 3.41Å; A116-I119 VanDerWaalsContact O-N 3.09Å; K117-I119 VanDerWaalsContact C-N 3.34Å; I119-Q184 HydrophobicContact CD1-CB 3.74Å; I119-T185 HydrophobicContact CG2-CG2 4.07Å
120	V	86.5	Confident	87	Confident	111 Å²	111	88.9 Å²	88.9	67%	0.673	48%	0.477	S	S	*	.			trans	-96.9	135	174.1	-175.5	0	0	0	0	109	Q118 E122	Q118-V120 PolarHBondContact O-N 3.12Å; V120-E122 HydrophobicContact CG1-CG 4.44Å
121	I	90.6	Very high	87.7	Confident	38 Å²	38	85 Å²	85	20%	0.195	46%	0.463	C	S	.	.			trans	-110.9	139.8	171.3	58.6	173.2	0	0	0	108.5	K181 L182 T185 F222 W223	I121-K181 HydrophobicContact CG2-CB 4.5Å; I121-L182 HydrophobicContact CD1-CD2 4.04Å; I121-L182 HydrophobicContact CG2-CD2 4.22Å; I121-T185 HydrophobicContact CB-CG2 4.44Å; I121-T185 HydrophobicContact CD1-CG2 4.1Å; I121-T185 HydrophobicContact CG1-CG2 4.05Å; I121-T185 HydrophobicContact CG2-CG2 3.64Å; I121-F222 HydrophobicContact CB-CD2 4.49Å; I121-F222 HydrophobicContact CD1-CD2 4.21Å; I121-F222 HydrophobicContact CD1-CE2 4.29Å; I121-F222 HydrophobicContact CG1-CD2 4.25Å; I121-F222 HydrophobicContact CG1-CE2 4.06Å; I121-W223 WeakPolarHBondContact CD1-O 3.46Å
122	E	90.5	Very high	88.5	Confident	164 Å²	164	84.4 Å²	84.4	77%	0.766	47%	0.466	S	S	*	.			trans	-126.5	149.2	176.1	-66.2	-178.4	174.8	0	0	108.3	V120 D124	V120-E122 HydrophobicContact CG1-CG 4.44Å; E122-D124 PolarHBondContact O-N 3.36Å
123	E	91.8	Very high	89.2	Confident	67 Å²	67	82.2 Å²	82.2	31%	0.313	46%	0.455	S	S	.	.			trans	-69.8	123	174.8	-166.5	176	161.2	0	0	109.2	G125 R145 R147 F222	E123-G125 PolarHBondContact O-N 3.15Å; E123-G125 VanDerWaalsContact O-N 3.11Å; E123-R145 IonicContact OE1-CZ 3.18Å; E123-R145 IonicContact OE1-NH1 2.9Å; E123-R145 PolarHBondContact OE1-NH1 3.43Å; E123-R145 IonicContact OE1-NH2 2.79Å; E123-R145 PolarHBondContact OE1-NH2 2.77Å; E123-R147 IonicContact OE1-NH2 2.72Å; E123-R147 PolarHBondContact OE1-NH2 2.76Å; E123-R147 IonicContact OE2-CZ 2.75Å; E123-R147 IonicContact OE2-NH2 3.22Å; E123-R147 PolarHBondContact OE2-NH2 2.82Å; E123-F222 HydrophobicContact CB-CB 4.4Å; E123-F222 HydrophobicContact CB-CD1 3.76Å; E123-F222 HydrophobicContact CB-CD2 4.23Å; E123-F222 HydrophobicContact CB-CE1 4Å; E123-F222 HydrophobicContact CB-CE2 4.47Å; E123-F222 HydrophobicContact CB-CG 3.87Å; E123-F222 HydrophobicContact CB-CZ 4.37Å; E123-F222 HydrophobicContact CG-CB 4.25Å; E123-F222 HydrophobicContact CG-CD1 3.96Å; E123-F222 HydrophobicContact CG-CG 4.16Å
124	D	89.8	Confident	89.7	Confident	76 Å²	76	82.5 Å²	82.5	41%	0.406	46%	0.455	S	S	.	.			trans	-68.3	109.7	-177.5	-175.3	-4	0	0	0	111.3	E122 N126 L127	E122-D124 PolarHBondContact O-N 3.36Å; D124-N126 PolarHBondContact O-N 3.37Å; D124-N126 VanDerWaalsContact O-N 3.17Å; D124-N126 WeakPolarHBondContact OD1-CB 3.44Å; D124-N126 PolarHBondContact OD1-N 3.29Å; D124-N126 PolarHBondContact OD1-ND2 3.47Å; D124-L127 HydrophobicContact CB-CD1 4.02Å; D124-L127 HydrophobicContact CB-CG 4.08Å; D124-L127 PolarHBondContact O-N 2.96Å; D124-L127 VanDerWaalsContact O-N 3.16Å
125	G	88.3	Confident	90.3	Very high	78 Å²	78	80.5 Å²	80.5	80%	0.804	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.7	178.8	0	0	0	0	0	115	E123	E123-G125 PolarHBondContact O-N 3.15Å; E123-G125 VanDerWaalsContact O-N 3.11Å
126	N	90.6	Very high	90.7	Very high	149 Å²	149	83 Å²	83	80%	0.797	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.6	175.1	-57	-67.2	0	0	0	113.1	D124	D124-N126 PolarHBondContact O-N 3.37Å; D124-N126 VanDerWaalsContact O-N 3.17Å; D124-N126 WeakPolarHBondContact OD1-CB 3.44Å; D124-N126 PolarHBondContact OD1-N 3.29Å; D124-N126 PolarHBondContact OD1-ND2 3.47Å
127	L	91.2	Very high	91.2	Very high	66 Å²	66	86.1 Å²	86.1	35%	0.346	45%	0.45	S	S	.	.	S	Bend	trans	-81.1	154.6	175.9	-65.7	177.4	0	0	0	111.1	D124 K129 D221	D124-L127 HydrophobicContact CB-CD1 4.02Å; D124-L127 HydrophobicContact CB-CG 4.08Å; D124-L127 PolarHBondContact O-N 2.96Å; D124-L127 VanDerWaalsContact O-N 3.16Å; L127-K129 PolarHBondContact O-N 3.07Å; L127-D221 HydrophobicContact CD1-CB 4.11Å
128	P	90.6	Very high	91.6	Very high	93 Å²	93	79.9 Å²	79.9	60%	0.604	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-52.6	141.2	172.4	-25.7	34.5	0	0	0	111.7	A130 R145	P128-A130 PolarHBondContact O-N 2.95Å; P128-A130 VanDerWaalsContact O-N 3.15Å; P128-R145 WeakPolarHBondContact O-CD 3.48Å; P128-R145 PolarHBondContact O-NH1 2.82Å
129	K	93.5	Very high	91.8	Very high	195 Å²	195	78 Å²	78	85%	0.848	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-58.2	123.2	176.6	-173	178	-178.1	-179.7	0	109.2	L127 I131	L127-K129 PolarHBondContact O-N 3.07Å; K129-I131 PolarHBondContact O-N 3.47Å
130	A	95.1	Very high	92.1	Very high	5 Å²	5	81.8 Å²	81.8	4%	0.041	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-68	132.5	179.2	0	0	0	0	0	110.9	P128 R145 R147 V200	P128-A130 PolarHBondContact O-N 2.95Å; P128-A130 VanDerWaalsContact O-N 3.15Å; A130-R145 WeakPolarHBondContact CA-O 3.43Å; A130-R145 HydrophobicContact CB-CG 4.23Å; A130-R147 HydrophobicContact CB-CB 4.19Å; A130-V200 HydrophobicContact CB-CG1 3.46Å; A130-V200 VanDerWaalsContact CB-CG1 3.46Å
131	I	95.5	Very high	92.4	Very high	76 Å²	76	77.7 Å²	77.7	39%	0.39	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.6	169	58.9	170.1	0	0	0	109.5	K129 V133 N141 I144 R145 V146 R147	K129-I131 PolarHBondContact O-N 3.47Å; I131-V133 HydrophobicContact CD1-CG1 3.91Å; I131-V133 HydrophobicContact CG1-CG1 4.02Å; I131-N141 WeakPolarHBondContact CD1-OD1 3.37Å; I131-I144 HydrophobicContact CD1-CG2 3.88Å; I131-I144 HydrophobicContact CG1-CG2 4.05Å; I131-R145 PolarHBondContact N-O 3.19Å; I131-V146 HydrophobicContact CD1-CG1 4.46Å; I131-V146 HydrophobicContact CG1-CG1 4.01Å; I131-V146 CarbonylContact O-C 3.5Å; I131-V146 VanDerWaalsContact O-CA 3.27Å; I131-V146 WeakPolarHBondContact O-CA 3.37Å; I131-R147 PolarHBondContact O-N 2.9Å
132	T	95.8	Very high	92.6	Very high	85 Å²	85	78.8 Å²	78.8	52%	0.521	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126	174.6	-57.3	0	0	0	0	109.2	R147 Y149	T132-R147 WeakPolarHBondContact CA-O 3.36Å; T132-Y149 HydrophobicContact CG2-CD2 3.93Å; T132-Y149 HydrophobicContact CG2-CE2 3.8Å
133	V	94.8	Very high	92.8	Very high	23 Å²	23	73.6 Å²	73.6	14%	0.139	41%	0.405	C	S	.	.			trans	-136.6	155.6	177.8	-55	0	0	0	0	110.7	I131 V146 R147 I148	I131-V133 HydrophobicContact CD1-CG1 3.91Å; I131-V133 HydrophobicContact CG1-CG1 4.02Å; V133-V146 HydrophobicContact CG2-CB 3.98Å; V133-V146 HydrophobicContact CG2-CG1 4.03Å; V133-V146 HydrophobicContact CG2-CG2 4.48Å; V133-R147 PolarHBondContact N-O 3.34Å; V133-R147 VanDerWaalsContact N-O 3.15Å; V133-I148 HydrophobicContact CB-CD1 4.49Å; V133-I148 HydrophobicContact CG2-CD1 3.31Å; V133-I148 WeakPolarHBondContact O-CD1 3.23Å
134	K	94.8	Very high	93	Very high	43 Å²	43	73.8 Å²	73.8	19%	0.187	41%	0.408	C	S	.	.			trans	-83.1	157	169.2	-63.5	-74.7	-167.4	162.2	0	110.3	R136 H137 D169 T171 D875	K134-R136 VanDerWaalsContact C-N 3.29Å; K134-R136 HydrophobicContact CB-CG 4.13Å; K134-R136 PolarHBondContact O-N 2.86Å; K134-H137 PolarHBondContact O-N 2.64Å; K134-D169 WeakPolarHBondContact CA-OD2 3.46Å; K134-T171 HydrophobicContact CB-CG2 4.26Å; K134-T171 HydrophobicContact CD-CG2 4.46Å; K134-D875 VanDerWaalsContact CE-OD2 3.24Å; K134-D875 WeakPolarHBondContact CE-OD2 3.27Å; K134-D875 IonicContact NZ-OD1 3.91Å; K134-D875 IonicContact NZ-OD2 2.87Å; K134-D875 PolarHBondContact NZ-OD2 2.79Å
135	I	95.2	Very high	93.4	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.026	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-56.9	-40	-177.5	-68.1	175	0	0	0	111.9	H137 V138 I148 L167 D169 T171 L174	I135-H137 PolarHBondContact O-N 2.85Å; I135-V138 WeakPolarHBondContact O-CB 3.43Å; I135-V138 WeakPolarHBondContact O-CG1 3.38Å; I135-V138 WeakPolarHBondContact O-CG2 3.06Å; I135-V138 PolarHBondContact O-N 2.77Å; I135-I148 HydrophobicContact CD1-CG2 4.48Å; I135-I148 HydrophobicContact CG1-CG2 3.92Å; I135-L167 HydrophobicContact CD1-CB 4.33Å; I135-D169 HydrophobicContact CD1-CB 3.99Å; I135-D169 HydrophobicContact CG1-CB 4.28Å; I135-D169 PolarHBondContact N-OD2 3.23Å; I135-T171 PolarHBondContact N-OG1 3.33Å; I135-L174 HydrophobicContact CD1-CB 4.01Å; I135-L174 HydrophobicContact CG1-CB 4.06Å; I135-L174 HydrophobicContact CG2-CB 4Å
136	R	91.3	Very high	93.8	Very high	104 Å²	104	67.2 Å²	67.2	39%	0.392	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-57.3	-15.6	176.6	62.9	173.9	-176.9	178.7	-6.6	115.8	K134 T171 R825	K134-R136 VanDerWaalsContact C-N 3.29Å; K134-R136 HydrophobicContact CB-CG 4.13Å; K134-R136 PolarHBondContact O-N 2.86Å; R136-T171 HydrophobicContact CG-CG2 4.26Å; R136-T171 PolarHBondContact N-OG1 3.23Å; R136-R825 PolarHBondContact NH2-O 2.81Å
137	H	92.9	Very high	94.1	Very high	72 Å²	72	62.2 Å²	62.2	33%	0.333	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-102.3	5	-179.1	-59.9	-50.1	0	0	0	113.2	K134 I135 E139 N140 N141	K134-H137 PolarHBondContact O-N 2.64Å; I135-H137 PolarHBondContact O-N 2.85Å; H137-E139 VanDerWaalsContact C-N 3.33Å; H137-E139 PolarHBondContact O-N 3.01Å; H137-N140 PolarHBondContact O-N 3.06Å; H137-N141 PolarHBondContact O-ND2 3.4Å
138	V	93.6	Very high	94.4	Very high	5 Å²	5	59 Å²	59	3%	0.03	31%	0.306	C	S	.	.	S	Bend	trans	-61.9	-37.8	-175.8	-66.5	0	0	0	0	113.1	I135 N140 N141 I142 I148 L174 L203 C216	I135-V138 WeakPolarHBondContact O-CB 3.43Å; I135-V138 WeakPolarHBondContact O-CG1 3.38Å; I135-V138 WeakPolarHBondContact O-CG2 3.06Å; I135-V138 PolarHBondContact O-N 2.77Å; V138-N140 VanDerWaalsContact C-N 3.27Å; V138-N140 PolarHBondContact O-N 3.18Å; V138-N141 CarbonylContact O-C 3.58Å; V138-N141 PolarHBondContact O-N 2.95Å; V138-I142 PolarHBondContact O-N 2.72Å; V138-I148 HydrophobicContact CG1-CD1 4.43Å; V138-L174 HydrophobicContact CG1-CD1 4.24Å; V138-L174 HydrophobicContact CG1-CD2 3.97Å; V138-L203 HydrophobicContact CB-CD1 3.98Å; V138-L203 HydrophobicContact CB-CD2 4.11Å; V138-L203 HydrophobicContact CG1-CD1 4.15Å; V138-L203 HydrophobicContact CG1-CD2 4.08Å; V138-C216 VanDerWaalsContact CG2-SG 3.52Å
139	E	89.2	Confident	94.8	Very high	130 Å²	130	57.9 Å²	57.9	61%	0.607	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.1	-37.6	179.9	-65.7	-173.8	169.2	0	0	112.2	H137 N141 I142	H137-E139 VanDerWaalsContact C-N 3.33Å; H137-E139 PolarHBondContact O-N 3.01Å; E139-N141 PolarHBondContact O-N 2.8Å; E139-I142 WeakPolarHBondContact O-CG1 3.34Å
140	N	91.6	Very high	95	Very high	132 Å²	132	48.6 Å²	48.6	71%	0.706	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-76.2	-8.1	178.4	-65.8	-22.9	0	0	0	113.3	H137 V138	H137-N140 PolarHBondContact O-N 3.06Å; V138-N140 VanDerWaalsContact C-N 3.27Å; V138-N140 PolarHBondContact O-N 3.18Å
141	N	94.5	Very high	95.2	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.139	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-123	19.4	-174.3	-68.4	-82.6	0	0	0	113	I131 H137 V138 E139 G143 I144 V146 L203	I131-N141 WeakPolarHBondContact CD1-OD1 3.37Å; H137-N141 PolarHBondContact O-ND2 3.4Å; V138-N141 CarbonylContact O-C 3.58Å; V138-N141 PolarHBondContact O-N 2.95Å; E139-N141 PolarHBondContact O-N 2.8Å; N141-G143 PolarHBondContact O-N 2.87Å; N141-I144 HydrophobicContact CB-CB 4.47Å; N141-I144 HydrophobicContact CB-CD1 4.25Å; N141-I144 VanDerWaalsContact O-CB 3.29Å; N141-I144 WeakPolarHBondContact O-CB 3.48Å; N141-I144 PolarHBondContact O-N 2.89Å; N141-I144 VanDerWaalsContact O-N 3.08Å; N141-V146 HydrophobicContact CB-CG1 4.16Å; N141-L203 HydrophobicContact CB-CD1 3.9Å; N141-L203 WeakPolarHBondContact O-CD1 3.34Å
142	I	94.3	Very high	95.3	Very high	61 Å²	61	44.8 Å²	44.8	31%	0.313	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	133.4	175.2	-68.4	172	0	0	0	110.5	V138 E139 I144 K205	V138-I142 PolarHBondContact O-N 2.72Å; E139-I142 WeakPolarHBondContact O-CG1 3.34Å; I142-I144 VanDerWaalsContact C-N 3.26Å; I142-K205 HydrophobicContact CD1-CG 3.92Å; I142-K205 HydrophobicContact CG2-CG 3.78Å
143	G	94.7	Very high	95.3	Very high	55 Å²	55	42.2 Å²	42.2	57%	0.567	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	-7.3	-177.1	0	0	0	0	0	114.2	N141 L203	N141-G143 PolarHBondContact O-N 2.87Å; G143-L203 WeakPolarHBondContact CA-O 3.41Å; G143-L203 PolarHBondContact N-O 2.88Å
144	I	95.7	Very high	95.3	Very high	71 Å²	71	47.5 Å²	47.5	36%	0.364	23%	0.229	S	C	.	.	S	Bend	trans	-93.4	145.7	178.7	-54	-179.7	0	0	0	109.5	I131 N141 I142 V146 L203	I131-I144 HydrophobicContact CD1-CG2 3.88Å; I131-I144 HydrophobicContact CG1-CG2 4.05Å; N141-I144 HydrophobicContact CB-CB 4.47Å; N141-I144 HydrophobicContact CB-CD1 4.25Å; N141-I144 VanDerWaalsContact O-CB 3.29Å; N141-I144 WeakPolarHBondContact O-CB 3.48Å; N141-I144 PolarHBondContact O-N 2.89Å; N141-I144 VanDerWaalsContact O-N 3.08Å; I142-I144 VanDerWaalsContact C-N 3.26Å; I144-V146 HydrophobicContact CB-CG1 4.36Å; I144-V146 HydrophobicContact CG2-CG1 4.26Å; I144-L203 PolarHBondContact O-N 2.95Å
145	R	97.2	Very high	95.3	Very high	15 Å²	15	47.3 Å²	47.3	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.2	168.6	-171.8	170.6	178.4	-94	-2	109.3	E123 P128 A130 I131 V200 G201 D221	E123-R145 IonicContact OE1-CZ 3.18Å; E123-R145 IonicContact OE1-NH1 2.9Å; E123-R145 PolarHBondContact OE1-NH1 3.43Å; E123-R145 IonicContact OE1-NH2 2.79Å; E123-R145 PolarHBondContact OE1-NH2 2.77Å; P128-R145 WeakPolarHBondContact O-CD 3.48Å; P128-R145 PolarHBondContact O-NH1 2.82Å; A130-R145 WeakPolarHBondContact CA-O 3.43Å; A130-R145 HydrophobicContact CB-CG 4.23Å; I131-R145 PolarHBondContact N-O 3.19Å; R145-V200 HydrophobicContact CG-CG1 4.32Å; R145-G201 CarbonylContact C-O 3.6Å; R145-G201 VanDerWaalsContact CA-O 3.27Å; R145-G201 WeakPolarHBondContact CA-O 3.35Å; R145-D221 WeakPolarHBondContact CD-OD2 3.19Å; R145-D221 IonicContact CZ-OD1 2.82Å; R145-D221 IonicContact CZ-OD2 2.7Å; R145-D221 IonicContact NE-OD1 3.01Å; R145-D221 PolarHBondContact NE-OD1 3.07Å; R145-D221 IonicContact NE-OD2 3.59Å; R145-D221 PolarHBondContact NE-OD2 2.82Å; R145-D221 IonicContact NH2-OD1 3.75Å; R145-D221 PolarHBondContact NH2-OD1 2.8Å; R145-D221 IonicContact NH2-OD2 3.97Å
146	V	97.3	Very high	95.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156.5	-172.9	-59.3	0	0	0	0	111.2	I131 V133 N141 I144 I148 V200 G201 L203 L218	I131-V146 HydrophobicContact CD1-CG1 4.46Å; I131-V146 HydrophobicContact CG1-CG1 4.01Å; I131-V146 CarbonylContact O-C 3.5Å; I131-V146 VanDerWaalsContact O-CA 3.27Å; I131-V146 WeakPolarHBondContact O-CA 3.37Å; V133-V146 HydrophobicContact CG2-CB 3.98Å; V133-V146 HydrophobicContact CG2-CG1 4.03Å; V133-V146 HydrophobicContact CG2-CG2 4.48Å; N141-V146 HydrophobicContact CB-CG1 4.16Å; I144-V146 HydrophobicContact CB-CG1 4.36Å; I144-V146 HydrophobicContact CG2-CG1 4.26Å; V146-I148 HydrophobicContact CG2-CD1 4.15Å; V146-I148 HydrophobicContact CG2-CG1 4.04Å; V146-V200 VanDerWaalsContact O-CA 3.32Å; V146-V200 WeakPolarHBondContact O-CA 3.36Å; V146-G201 PolarHBondContact N-O 2.97Å; V146-G201 PolarHBondContact O-N 2.97Å; V146-L203 HydrophobicContact CB-CD1 4.47Å; V146-L203 HydrophobicContact CG1-CD1 3.87Å; V146-L203 HydrophobicContact CG1-CG 4.48Å; V146-L203 HydrophobicContact CG2-CD1 3.79Å; V146-L203 HydrophobicContact CG2-CD2 4.41Å; V146-L203 HydrophobicContact CG2-CG 3.72Å; V146-L218 HydrophobicContact CG2-CD1 3.68Å
147	R	97.8	Very high	95.4	Very high	44 Å²	44	54 Å²	54	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123	167	-179.2	176.5	-66	115.7	-3.5	108.6	E123 A130 I131 T132 V133 Y149 F198 V199 V200	E123-R147 IonicContact OE1-NH2 2.72Å; E123-R147 PolarHBondContact OE1-NH2 2.76Å; E123-R147 IonicContact OE2-CZ 2.75Å; E123-R147 IonicContact OE2-NH2 3.22Å; E123-R147 PolarHBondContact OE2-NH2 2.82Å; A130-R147 HydrophobicContact CB-CB 4.19Å; I131-R147 PolarHBondContact O-N 2.9Å; T132-R147 WeakPolarHBondContact CA-O 3.36Å; V133-R147 PolarHBondContact N-O 3.34Å; V133-R147 VanDerWaalsContact N-O 3.15Å; R147-Y149 HydrophobicContact CG-CE2 4.05Å; R147-F198 HydrophobicContact CG-CB 4.41Å; R147-F198 HydrophobicContact CG-CD2 4.08Å; R147-F198 HydrophobicContact CG-CG 4.49Å; R147-V199 WeakPolarHBondContact CA-O 3.48Å; R147-V200 HydrophobicContact CB-CG2 4.13Å; R147-V200 HydrophobicContact CG-CG2 3.97Å
148	I	97.7	Very high	95.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.5	178.5	-56.5	-63	0	0	0	108.7	V133 I135 V138 V146 L167 L174 F198 V199 L218	V133-I148 HydrophobicContact CB-CD1 4.49Å; V133-I148 HydrophobicContact CG2-CD1 3.31Å; V133-I148 WeakPolarHBondContact O-CD1 3.23Å; I135-I148 HydrophobicContact CD1-CG2 4.48Å; I135-I148 HydrophobicContact CG1-CG2 3.92Å; V138-I148 HydrophobicContact CG1-CD1 4.43Å; V146-I148 HydrophobicContact CG2-CD1 4.15Å; V146-I148 HydrophobicContact CG2-CG1 4.04Å; I148-L167 HydrophobicContact CG2-CD1 4.32Å; I148-L174 HydrophobicContact CG1-CD2 3.99Å; I148-L174 HydrophobicContact CG2-CD2 4.42Å; I148-F198 CarbonylContact O-C 3.57Å; I148-F198 WeakPolarHBondContact O-CA 3.4Å; I148-V199 PolarHBondContact N-O 3.08Å; I148-V199 PolarHBondContact O-N 3.1Å; I148-L218 HydrophobicContact CB-CD2 4.46Å; I148-L218 HydrophobicContact CG1-CD2 4.09Å
149	Y	98.3	Very high	95.2	Very high	68 Å²	68	59.1 Å²	59.1	27%	0.267	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.6	168.1	-67	-91.4	0	0	0	109.8	T132 R147 D169 F198 I226 F906	T132-Y149 HydrophobicContact CG2-CD2 3.93Å; T132-Y149 HydrophobicContact CG2-CE2 3.8Å; R147-Y149 HydrophobicContact CG-CE2 4.05Å; Y149-D169 WeakPolarHBondContact O-CB 3.34Å; Y149-F198 HydrophobicContact CD1-CB 3.5Å; Y149-F198 VanDerWaalsContact CD1-CB 3.5Å; Y149-F198 HydrophobicContact CD1-CD1 4.36Å; Y149-F198 HydrophobicContact CD1-CG 4.34Å; Y149-F198 HydrophobicContact CE1-CB 3.58Å; Y149-F198 AromaticContact CE1-CD1 3.72Å; Y149-F198 HydrophobicContact CE1-CD1 3.72Å; Y149-F198 AromaticContact CE1-CG 3.93Å; Y149-F198 HydrophobicContact CE1-CG 3.93Å; Y149-F198 HydrophobicContact CG-CB 4.01Å; Y149-I226 HydrophobicContact CD1-CD1 3.64Å; Y149-I226 HydrophobicContact CE1-CD1 3.96Å; Y149-F906 HydrophobicContact CD1-CB 4.06Å; Y149-F906 AromaticContact CD1-CD1 3.7Å; Y149-F906 HydrophobicContact CD1-CD1 3.7Å; Y149-F906 HydrophobicContact CD1-CE1 4.37Å; Y149-F906 AromaticContact CD1-CG 3.99Å; Y149-F906 HydrophobicContact CD1-CG 3.99Å; Y149-F906 HydrophobicContact CG-CB 3.95Å; Y149-F906 HydrophobicContact CG-CD1 4.12Å; Y149-F906 AromaticContact CG-CG 3.96Å; Y149-F906 HydrophobicContact CG-CG 3.96Å
150	G	98	Very high	95.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-177.6	173.8	0	0	0	0	0	114.1	R168 S196 I197	G150-R168 CarbonylContact C-O 3.57Å; G150-R168 VanDerWaalsContact CA-O 3.23Å; G150-R168 WeakPolarHBondContact CA-O 3.44Å; G150-S196 CarbonylContact O-C 3.57Å; G150-S196 WeakPolarHBondContact O-CA 3.35Å; G150-I197 PolarHBondContact N-O 3.39Å; G150-I197 PolarHBondContact O-N 2.91Å
151	W	98.4	Very high	95.1	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.1	175	-64	-93.7	0	0	0	110.6	H153 L167 R168 S195 L870 P871 P905 F906 G1071	W151-H153 PolarHBondContact O-N 2.88Å; W151-L167 CarbonylContact O-C 3.58Å; W151-L167 WeakPolarHBondContact O-CA 3.47Å; W151-R168 HydrophobicContact CB-CG 4.35Å; W151-R168 PolarHBondContact N-O 3.45Å; W151-R168 PolarHBondContact O-N 3.12Å; W151-S195 CarbonylContact C-O 3.53Å; W151-S195 WeakPolarHBondContact CA-O 3.27Å; W151-L870 HydrophobicContact CH2-CB 4.39Å; W151-L870 WeakPolarHBondContact CH2-O 3.07Å; W151-L870 WeakPolarHBondContact CZ3-O 3.46Å; W151-P871 HydrophobicContact CD2-CB 3.98Å; W151-P871 HydrophobicContact CE3-CB 4.4Å; W151-P871 HydrophobicContact CG-CB 4.42Å; W151-P871 HydrophobicContact CH2-CB 4.36Å; W151-P871 HydrophobicContact CZ2-CB 3.95Å; W151-P871 HydrophobicContact CZ2-CG 3.94Å; W151-P905 HydrophobicContact CH2-CB 3.69Å; W151-P905 HydrophobicContact CH2-CG 4.09Å; W151-P905 HydrophobicContact CZ2-CB 4.46Å; W151-F906 HydrophobicContact CD2-CZ 4.29Å; W151-F906 HydrophobicContact CE3-CE2 4.09Å; W151-F906 HydrophobicContact CE3-CZ 4.28Å; W151-F906 HydrophobicContact CH2-CD2 4.37Å; W151-F906 AromaticContact CH2-CE2 3.46Å; W151-F906 HydrophobicContact CH2-CE2 3.46Å; W151-F906 VanDerWaalsContact CH2-CE2 3.46Å; W151-F906 AromaticContact CH2-CZ 3.88Å; W151-F906 HydrophobicContact CH2-CZ 3.88Å; W151-F906 AromaticContact CZ2-CE2 3.95Å; W151-F906 HydrophobicContact CZ2-CE2 3.95Å; W151-F906 AromaticContact CZ2-CZ 3.87Å; W151-F906 HydrophobicContact CZ2-CZ 3.87Å; W151-F906 AromaticContact CZ3-CE2 3.54Å; W151-F906 HydrophobicContact CZ3-CE2 3.54Å; W151-F906 HydrophobicContact CZ3-CZ 4.08Å; W151-G1071 PolarHBondContact NE1-O 2.97Å
152	V	97.8	Very high	95.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	95.2	176	-179.8	0	0	0	0	109.2	L155 L165 L167 L191 P193 E194 S195 I197	V152-L155 HydrophobicContact CG1-CB 3.94Å; V152-L155 HydrophobicContact CG1-CD1 4.35Å; V152-L165 HydrophobicContact CG1-CD2 4.12Å; V152-L165 HydrophobicContact CG2-CD1 4.39Å; V152-L167 HydrophobicContact CG2-CD2 4.11Å; V152-L191 HydrophobicContact CG2-CD1 4.25Å; V152-L191 HydrophobicContact CG2-CD2 4.3Å; V152-L191 HydrophobicContact CG2-CG 4.47Å; V152-P193 CarbonylContact O-C 3.5Å; V152-P193 WeakPolarHBondContact O-CA 3.33Å; V152-E194 PolarHBondContact O-N 2.82Å; V152-S195 WeakPolarHBondContact CG2-O 3.21Å; V152-S195 PolarHBondContact N-O 3.29Å; V152-I197 HydrophobicContact CG2-CD1 3.94Å; V152-I197 HydrophobicContact CG2-CG1 4.21Å; V152-I197 HydrophobicContact CG2-CG2 4.19Å
153	H	96.2	Very high	95.2	Very high	31 Å²	31	59.8 Å²	59.8	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-40	178.5	-177.2	51	0	0	0	112.3	W151 V166 R168 F173 E258	W151-H153 PolarHBondContact O-N 2.88Å; H153-V166 WeakPolarHBondContact CA-O 3.26Å; H153-V166 WeakPolarHBondContact CB-O 3.43Å; H153-V166 PolarHBondContact N-O 3.29Å; H153-R168 HydrophobicContact CB-CB 4.37Å; H153-R168 HydrophobicContact CB-CG 4.5Å; H153-R168 PolarHBondContact ND1-NH1 3.38Å; H153-F173 HydrophobicContact CB-CD1 4.22Å; H153-F173 HydrophobicContact CB-CE1 4.08Å; H153-F173 AromaticContact CD2-CD1 3.72Å; H153-F173 AromaticContact CD2-CE1 3.34Å; H153-F173 WeakPolarHBondContact CD2-CE1 3.28Å; H153-F173 AromaticContact CG-CE1 3.62Å; H153-F173 AromaticContact NE2-CE1 3.86Å; H153-E258 IonicContact NE2-OE1 2.94Å
154	R	94.6	Very high	95.2	Very high	133 Å²	133	58.8 Å²	58.8	50%	0.502	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.3	173	-59.9	-177.8	-174.3	138.5	13	110.5	L165 V166 E258	R154-L165 WeakPolarHBondContact O-CA 3.33Å; R154-V166 HydrophobicContact CB-CB 4.02Å; R154-V166 HydrophobicContact CB-CG2 4.11Å; R154-V166 PolarHBondContact N-O 2.84Å; R154-V166 PolarHBondContact O-N 3.26Å; R154-E258 IonicContact CZ-OE1 3.82Å; R154-E258 IonicContact NH2-OE1 3.74Å; R154-E258 PolarHBondContact NH2-OE1 3.25Å
155	L	94.9	Very high	95.3	Very high	40 Å²	40	55.4 Å²	55.4	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.5	179.1	-174.3	156.1	0	0	0	109.8	V152 R157 M163 L165 L191	V152-L155 HydrophobicContact CG1-CB 3.94Å; V152-L155 HydrophobicContact CG1-CD1 4.35Å; L155-R157 HydrophobicContact CD2-CG 3.94Å; L155-M163 HydrophobicContact CD1-SD 4.44Å; L155-L165 HydrophobicContact CB-CD2 4.16Å; L155-L165 HydrophobicContact CD1-CD2 3.86Å; L155-L165 HydrophobicContact CG-CD2 3.67Å; L155-L191 HydrophobicContact CD1-CB 4.08Å; L155-L191 HydrophobicContact CD1-CD2 3.76Å; L155-L191 HydrophobicContact CD1-CG 3.75Å; L155-L191 WeakPolarHBondContact CD1-O 3.4Å
156	R	94.7	Very high	95.2	Very high	146 Å²	146	55.6 Å²	55.6	55%	0.551	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	122	173.9	-174.1	-179.9	70.2	-177.7	-0.4	111.2	M163 F164	R156-M163 WeakPolarHBondContact O-CA 3.34Å; R156-F164 HydrophobicContact CB-CB 4.42Å; R156-F164 PolarHBondContact N-O 2.95Å; R156-F164 PolarHBondContact O-N 3.31Å
157	R	93.3	Very high	95.2	Very high	104 Å²	104	55.6 Å²	55.6	39%	0.392	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.9	173.1	-65.6	180	179.2	91.1	1.1	110.2	L155 M163 A188 L191	L155-R157 HydrophobicContact CD2-CG 3.94Å; R157-M163 HydrophobicContact CG-CG 4.09Å; R157-M163 HydrophobicContact CG-SD 4.15Å; R157-A188 PolarHBondContact NE-O 3.05Å; R157-A188 PolarHBondContact NH2-O 2.86Å; R157-L191 PolarHBondContact NH2-O 2.81Å
158	Q	92.3	Very high	95.2	Very high	116 Å²	116	53.8 Å²	53.8	54%	0.542	24%	0.244	S	C	.	.			trans	-117.6	95.8	174.5	-172.7	174.7	-2.1	0	0	109.1	L162 F164	Q158-L162 HydrophobicContact CB-CB 4.35Å; Q158-L162 HydrophobicContact CB-CD2 4.28Å; Q158-L162 HydrophobicContact CB-CG 4.49Å; Q158-L162 PolarHBondContact N-O 3.28Å; Q158-F164 HydrophobicContact CB-CE2 4.39Å
159	G	90.8	Very high	95.1	Very high	67 Å²	67	53.9 Å²	53.9	69%	0.691	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	-150.1	-170.3	0	0	0	0	0	112.2
160	K	87.1	Confident	94.9	Very high	151 Å²	151	50.9 Å²	50.9	66%	0.657	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	1.8	-176.5	-63	-173.2	176.4	-171.7	0	114.6	Q184	K160-Q184 WeakPolarHBondContact O-CG 3.45Å; K160-Q184 PolarHBondContact O-NE2 3Å; K160-Q184 VanDerWaalsContact O-NE2 3.16Å
161	R	92.6	Very high	94.7	Very high	167 Å²	167	52.3 Å²	52.3	63%	0.63	24%	0.243	S	C	*	.	S	Bend	trans	-128.7	2.6	-170.7	-64.8	-168.5	180	-168.1	2	113.8	T179 D180	R161-T179 CarbonylContact O-C 3.49Å; R161-T179 VanDerWaalsContact O-CA 3.29Å; R161-T179 WeakPolarHBondContact O-CA 3.36Å; R161-D180 PolarHBondContact O-N 2.72Å
162	L	94.8	Very high	94.4	Very high	44 Å²	44	53.1 Å²	53.1	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.6	-176.9	-172.4	63.4	0	0	0	109.6	Q158 F164 V177 M178 T179	Q158-L162 HydrophobicContact CB-CB 4.35Å; Q158-L162 HydrophobicContact CB-CD2 4.28Å; Q158-L162 HydrophobicContact CB-CG 4.49Å; Q158-L162 PolarHBondContact N-O 3.28Å; L162-F164 HydrophobicContact CD1-CE2 4.3Å; L162-F164 HydrophobicContact CD1-CZ 4.12Å; L162-F164 HydrophobicContact CD2-CE2 3.55Å; L162-F164 HydrophobicContact CD2-CZ 3.61Å; L162-F164 HydrophobicContact CG-CD2 4.33Å; L162-F164 HydrophobicContact CG-CE2 3.6Å; L162-F164 HydrophobicContact CG-CZ 3.85Å; L162-V177 HydrophobicContact CD1-CG1 3.74Å; L162-M178 WeakPolarHBondContact CA-O 3.04Å; L162-T179 HydrophobicContact CD1-CG2 3.83Å
163	M	95.5	Very high	94.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.8	177.6	-176.2	167.7	68.9	0	0	108.6	L155 R156 R157 L165 M178 C183 A188 L191	L155-M163 HydrophobicContact CD1-SD 4.44Å; R156-M163 WeakPolarHBondContact O-CA 3.34Å; R157-M163 HydrophobicContact CG-CG 4.09Å; R157-M163 HydrophobicContact CG-SD 4.15Å; M163-L165 HydrophobicContact CE-CD2 4.32Å; M163-L165 HydrophobicContact CG-CD2 3.93Å; M163-L165 HydrophobicContact SD-CD2 4.19Å; M163-M178 HydrophobicContact CB-CB 4.34Å; M163-M178 HydrophobicContact CE-CB 4.48Å; M163-M178 HydrophobicContact CE-SD 3.33Å; M163-M178 WeakPolarHBondContact CE-SD 3.05Å; M163-M178 PolarHBondContact N-O 2.91Å; M163-M178 PolarHBondContact O-N 3.05Å; M163-C183 HydrophobicContact CB-CB 4.36Å; M163-C183 VanDerWaalsContact CB-SG 3.5Å; M163-C183 PolarHBondContact N-SG 3.47Å; M163-C183 VanDerWaalsContact N-SG 3.39Å; M163-A188 HydrophobicContact CE-CB 4.31Å; M163-L191 HydrophobicContact CE-CD2 4.09Å; M163-L191 HydrophobicContact SD-CD2 4.43Å
164	F	95.2	Very high	94.2	Very high	34 Å²	34	53.6 Å²	53.6	15%	0.149	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.4	175.4	-61.1	-89.4	0	0	0	108.5	R156 Q158 L162 S176 V177	R156-F164 HydrophobicContact CB-CB 4.42Å; R156-F164 PolarHBondContact N-O 2.95Å; R156-F164 PolarHBondContact O-N 3.31Å; Q158-F164 HydrophobicContact CB-CE2 4.39Å; L162-F164 HydrophobicContact CD1-CE2 4.3Å; L162-F164 HydrophobicContact CD1-CZ 4.12Å; L162-F164 HydrophobicContact CD2-CE2 3.55Å; L162-F164 HydrophobicContact CD2-CZ 3.61Å; L162-F164 HydrophobicContact CG-CD2 4.33Å; L162-F164 HydrophobicContact CG-CE2 3.6Å; L162-F164 HydrophobicContact CG-CZ 3.85Å; F164-S176 WeakPolarHBondContact CA-O 3.18Å; F164-V177 HydrophobicContact CD1-CG1 4.42Å; F164-V177 HydrophobicContact CD1-CG2 3.94Å; F164-V177 HydrophobicContact CE1-CG1 4.09Å; F164-V177 HydrophobicContact CE1-CG2 3.95Å
165	L	96.5	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139	173.6	-54.3	-175.5	0	0	0	108.9	V152 R154 L155 M163 L167 Q175 S176 M178 L191 I197	V152-L165 HydrophobicContact CG1-CD2 4.12Å; V152-L165 HydrophobicContact CG2-CD1 4.39Å; R154-L165 WeakPolarHBondContact O-CA 3.33Å; L155-L165 HydrophobicContact CB-CD2 4.16Å; L155-L165 HydrophobicContact CD1-CD2 3.86Å; L155-L165 HydrophobicContact CG-CD2 3.67Å; M163-L165 HydrophobicContact CE-CD2 4.32Å; M163-L165 HydrophobicContact CG-CD2 3.93Å; M163-L165 HydrophobicContact SD-CD2 4.19Å; L165-L167 HydrophobicContact CB-CD2 4.23Å; L165-L167 HydrophobicContact CD1-CD2 4.46Å; L165-Q175 CarbonylContact O-C 3.58Å; L165-Q175 WeakPolarHBondContact O-CA 3.43Å; L165-S176 PolarHBondContact N-O 3.12Å; L165-S176 PolarHBondContact O-N 3.07Å; L165-M178 HydrophobicContact CD1-CE 3.38Å; L165-M178 HydrophobicContact CD1-SD 3.86Å; L165-M178 HydrophobicContact CG-CE 4.36Å; L165-M178 HydrophobicContact CG-SD 4.43Å; L165-L191 HydrophobicContact CD1-CD2 3.93Å; L165-L191 HydrophobicContact CD2-CD2 3.91Å; L165-I197 HydrophobicContact CD1-CD1 3.55Å
166	V	96.5	Very high	94.4	Very high	20 Å²	20	47 Å²	47	12%	0.121	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.6	160.9	-178.7	0	0	0	0	106.3	H153 R154 F173 L174 P213	H153-V166 WeakPolarHBondContact CA-O 3.26Å; H153-V166 WeakPolarHBondContact CB-O 3.43Å; H153-V166 PolarHBondContact N-O 3.29Å; R154-V166 HydrophobicContact CB-CB 4.02Å; R154-V166 HydrophobicContact CB-CG2 4.11Å; R154-V166 PolarHBondContact N-O 2.84Å; R154-V166 PolarHBondContact O-N 3.26Å; V166-F173 HydrophobicContact CG1-CB 4.04Å; V166-F173 HydrophobicContact CG1-CD1 4.13Å; V166-L174 WeakPolarHBondContact CA-O 3.35Å; V166-P213 HydrophobicContact CG1-CG 4.39Å
167	L	97	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	147.3	176.9	-56.6	179	0	0	0	110	I135 I148 W151 V152 L165 F173 L174 I197 V199	I135-L167 HydrophobicContact CD1-CB 4.33Å; I148-L167 HydrophobicContact CG2-CD1 4.32Å; W151-L167 CarbonylContact O-C 3.58Å; W151-L167 WeakPolarHBondContact O-CA 3.47Å; V152-L167 HydrophobicContact CG2-CD2 4.11Å; L165-L167 HydrophobicContact CB-CD2 4.23Å; L165-L167 HydrophobicContact CD1-CD2 4.46Å; L167-F173 CarbonylContact O-C 3.59Å; L167-F173 WeakPolarHBondContact O-CA 3.45Å; L167-L174 PolarHBondContact N-O 3.46Å; L167-L174 PolarHBondContact O-N 2.95Å; L167-I197 HydrophobicContact CD2-CD1 3.71Å; L167-I197 HydrophobicContact CD2-CG1 3.91Å; L167-V199 HydrophobicContact CD1-CB 4.32Å; L167-V199 HydrophobicContact CD1-CG2 3.78Å
168	R	96.8	Very high	94.5	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.1	162.7	85.8	-179.6	179	-95.5	-21.6	110.2	G150 W151 H153 G172 F173 E194 P871	G150-R168 CarbonylContact C-O 3.57Å; G150-R168 VanDerWaalsContact CA-O 3.23Å; G150-R168 WeakPolarHBondContact CA-O 3.44Å; W151-R168 HydrophobicContact CB-CG 4.35Å; W151-R168 PolarHBondContact N-O 3.45Å; W151-R168 PolarHBondContact O-N 3.12Å; H153-R168 HydrophobicContact CB-CB 4.37Å; H153-R168 HydrophobicContact CB-CG 4.5Å; H153-R168 PolarHBondContact ND1-NH1 3.38Å; R168-G172 WeakPolarHBondContact CA-O 3.26Å; R168-F173 HydrophobicContact CB-CD1 3.63Å; R168-F173 HydrophobicContact CB-CE1 3.55Å; R168-F173 HydrophobicContact CB-CZ 4.38Å; R168-F173 HydrophobicContact CG-CE1 4.37Å; R168-E194 IonicContact CZ-OE1 2.7Å; R168-E194 IonicContact CZ-OE2 2.98Å; R168-E194 IonicContact NH1-OE1 2.68Å; R168-E194 PolarHBondContact NH1-OE1 3.25Å; R168-E194 IonicContact NH1-OE2 3.04Å; R168-E194 IonicContact NH2-OE1 3.3Å; R168-E194 IonicContact NH2-OE2 2.81Å; R168-E194 PolarHBondContact NH2-OE2 2.89Å; R168-P871 PolarHBondContact NE-O 3.48Å; R168-P871 PolarHBondContact NH2-O 3.01Å
169	D	96.3	Very high	94.6	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	18%	0.175	C	C	.	.			trans	-132.6	14	176.3	74.3	-12.6	0	0	0	112.5	K134 I135 Y149 T171 G172 G874	K134-D169 WeakPolarHBondContact CA-OD2 3.46Å; I135-D169 HydrophobicContact CD1-CB 3.99Å; I135-D169 HydrophobicContact CG1-CB 4.28Å; I135-D169 PolarHBondContact N-OD2 3.23Å; Y149-D169 WeakPolarHBondContact O-CB 3.34Å; D169-T171 VanDerWaalsContact C-N 3.26Å; D169-T171 VanDerWaalsContact CG-OG1 3.28Å; D169-T171 PolarHBondContact O-N 2.92Å; D169-T171 WeakPolarHBondContact OD1-CA 3.49Å; D169-T171 WeakPolarHBondContact OD1-CB 3.18Å; D169-T171 PolarHBondContact OD1-N 2.76Å; D169-T171 PolarHBondContact OD1-OG1 3.28Å; D169-T171 PolarHBondContact OD2-OG1 3.34Å; D169-G172 PolarHBondContact OD1-N 3.05Å; D169-G874 WeakPolarHBondContact O-CA 3.48Å
170	G	94.2	Very high	94.7	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	16%	0.162	C	C	.	.	S	Bend	trans	87.1	-27.9	-171.1	0	0	0	0	0	114.5	K265 S872	G170-K265 VanDerWaalsContact O-CE 3.23Å; G170-K265 WeakPolarHBondContact O-CE 3.31Å; G170-K265 PolarHBondContact O-NZ 3.26Å; G170-S872 WeakPolarHBondContact CA-O 3.41Å
171	T	92.8	Very high	94.9	Very high	29 Å²	29	33 Å²	33	18%	0.178	16%	0.161	C	C	.	.	S	Bend	trans	-91.3	-13.1	-178.3	76.4	0	0	0	0	113.8	K134 I135 R136 D169	K134-T171 HydrophobicContact CB-CG2 4.26Å; K134-T171 HydrophobicContact CD-CG2 4.46Å; I135-T171 PolarHBondContact N-OG1 3.33Å; R136-T171 HydrophobicContact CG-CG2 4.26Å; R136-T171 PolarHBondContact N-OG1 3.23Å; D169-T171 VanDerWaalsContact C-N 3.26Å; D169-T171 VanDerWaalsContact CG-OG1 3.28Å; D169-T171 PolarHBondContact O-N 2.92Å; D169-T171 WeakPolarHBondContact OD1-CA 3.49Å; D169-T171 WeakPolarHBondContact OD1-CB 3.18Å; D169-T171 PolarHBondContact OD1-N 2.76Å; D169-T171 PolarHBondContact OD1-OG1 3.28Å; D169-T171 PolarHBondContact OD2-OG1 3.34Å
172	G	92.1	Very high	95	Very high	19 Å²	19	25.7 Å²	25.7	20%	0.196	14%	0.135	C	C	.	.			trans	171.4	-165.5	174.6	0	0	0	0	0	112.5	R168 D169	R168-G172 WeakPolarHBondContact CA-O 3.26Å; D169-G172 PolarHBondContact OD1-N 3.05Å
173	F	94.7	Very high	94.9	Very high	42 Å²	42	24.1 Å²	24.1	18%	0.184	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.9	172.9	-62.7	-87.4	0	0	0	110	H153 V166 L167 R168 P213 E258	H153-F173 HydrophobicContact CB-CD1 4.22Å; H153-F173 HydrophobicContact CB-CE1 4.08Å; H153-F173 AromaticContact CD2-CD1 3.72Å; H153-F173 AromaticContact CD2-CE1 3.34Å; H153-F173 WeakPolarHBondContact CD2-CE1 3.28Å; H153-F173 AromaticContact CG-CE1 3.62Å; H153-F173 AromaticContact NE2-CE1 3.86Å; V166-F173 HydrophobicContact CG1-CB 4.04Å; V166-F173 HydrophobicContact CG1-CD1 4.13Å; L167-F173 CarbonylContact O-C 3.59Å; L167-F173 WeakPolarHBondContact O-CA 3.45Å; R168-F173 HydrophobicContact CB-CD1 3.63Å; R168-F173 HydrophobicContact CB-CE1 3.55Å; R168-F173 HydrophobicContact CB-CZ 4.38Å; R168-F173 HydrophobicContact CG-CE1 4.37Å; F173-P213 HydrophobicContact CB-CB 3.66Å; F173-P213 HydrophobicContact CB-CG 4.28Å; F173-P213 CarbonylContact O-C 3.58Å; F173-P213 WeakPolarHBondContact O-CB 2.86Å; F173-E258 HydrophobicContact CE1-CG 4.45Å; F173-E258 HydrophobicContact CE2-CG 4.13Å; F173-E258 HydrophobicContact CZ-CG 3.72Å
174	L	96	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.8	-179.8	178.3	65.3	0	0	0	110.9	I135 V138 I148 V166 L167 L203 L218	I135-L174 HydrophobicContact CD1-CB 4.01Å; I135-L174 HydrophobicContact CG1-CB 4.06Å; I135-L174 HydrophobicContact CG2-CB 4Å; V138-L174 HydrophobicContact CG1-CD1 4.24Å; V138-L174 HydrophobicContact CG1-CD2 3.97Å; I148-L174 HydrophobicContact CG1-CD2 3.99Å; I148-L174 HydrophobicContact CG2-CD2 4.42Å; V166-L174 WeakPolarHBondContact CA-O 3.35Å; L167-L174 PolarHBondContact N-O 3.46Å; L167-L174 PolarHBondContact O-N 2.95Å; L174-L203 HydrophobicContact CD1-CD2 4.25Å; L174-L203 HydrophobicContact CD2-CD2 4.32Å; L174-L218 HydrophobicContact CD2-CB 4.09Å; L174-L218 HydrophobicContact CD2-CD2 4.38Å; L174-L218 HydrophobicContact CG-CB 4.48Å
175	Q	96.5	Very high	94.6	Very high	35 Å²	35	25.4 Å²	25.4	16%	0.164	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.7	169.5	-178.5	171.3	-82.6	0	0	110.5	L165 A212 E217 L218	L165-Q175 CarbonylContact O-C 3.58Å; L165-Q175 WeakPolarHBondContact O-CA 3.43Å; Q175-A212 HydrophobicContact CB-CB 3.99Å; Q175-E217 HydrophobicContact CB-CB 4.47Å; Q175-E217 PolarHBondContact NE2-OE2 3.13Å; Q175-E217 CarbonylContact O-C 3.57Å; Q175-E217 WeakPolarHBondContact O-CA 3.29Å; Q175-L218 PolarHBondContact O-N 2.83Å
176	S	95.9	Very high	94.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.3	167.7	-177.9	0	0	0	0	111.1	F164 L165 L218	F164-S176 WeakPolarHBondContact CA-O 3.18Å; L165-S176 PolarHBondContact N-O 3.12Å; L165-S176 PolarHBondContact O-N 3.07Å; S176-L218 CarbonylContact C-O 3.56Å; S176-L218 VanDerWaalsContact CA-O 3.28Å; S176-L218 WeakPolarHBondContact CA-O 3.33Å; S176-L218 PolarHBondContact OG-O 3.24Å
177	V	95.7	Very high	94.2	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.5	178.5	-173.3	0	0	0	0	108.5	L162 F164 T179 L218 A220	L162-V177 HydrophobicContact CD1-CG1 3.74Å; F164-V177 HydrophobicContact CD1-CG1 4.42Å; F164-V177 HydrophobicContact CD1-CG2 3.94Å; F164-V177 HydrophobicContact CE1-CG1 4.09Å; F164-V177 HydrophobicContact CE1-CG2 3.95Å; V177-T179 HydrophobicContact CG1-CG2 4.35Å; V177-L218 PolarHBondContact N-O 2.9Å; V177-A220 WeakPolarHBondContact O-CB 3.37Å; V177-A220 PolarHBondContact O-N 2.87Å
178	M	94.9	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136	174.7	-64.2	178.9	177.6	0	0	109.1	L162 M163 L165 L182 C183 I197 V199 A220 W223	L162-M178 WeakPolarHBondContact CA-O 3.04Å; M163-M178 HydrophobicContact CB-CB 4.34Å; M163-M178 HydrophobicContact CE-CB 4.48Å; M163-M178 HydrophobicContact CE-SD 3.33Å; M163-M178 WeakPolarHBondContact CE-SD 3.05Å; M163-M178 PolarHBondContact N-O 2.91Å; M163-M178 PolarHBondContact O-N 3.05Å; L165-M178 HydrophobicContact CD1-CE 3.38Å; L165-M178 HydrophobicContact CD1-SD 3.86Å; L165-M178 HydrophobicContact CG-CE 4.36Å; L165-M178 HydrophobicContact CG-SD 4.43Å; M178-L182 HydrophobicContact CB-CB 4.05Å; M178-C183 PolarHBondContact O-SG 2.72Å; M178-I197 HydrophobicContact CE-CD1 4.3Å; M178-V199 HydrophobicContact CE-CG1 4.11Å; M178-V199 HydrophobicContact CE-CG2 3.61Å; M178-A220 HydrophobicContact CG-CB 3.81Å; M178-W223 HydrophobicContact CE-CB 3.68Å; M178-W223 HydrophobicContact CE-CD2 3.75Å; M178-W223 HydrophobicContact CE-CE3 4.32Å; M178-W223 HydrophobicContact CE-CG 3.43Å; M178-W223 VanDerWaalsContact CE-CG 3.43Å; M178-W223 HydrophobicContact SD-CD2 4.14Å; M178-W223 HydrophobicContact SD-CG 4Å
179	T	95	Very high	93.8	Very high	54 Å²	54	34.4 Å²	34.4	33%	0.331	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.4	-179.5	61.5	0	0	0	0	112.6	R161 L162 V177 K181 L182	R161-T179 CarbonylContact O-C 3.49Å; R161-T179 VanDerWaalsContact O-CA 3.29Å; R161-T179 WeakPolarHBondContact O-CA 3.36Å; L162-T179 HydrophobicContact CD1-CG2 3.83Å; V177-T179 HydrophobicContact CG1-CG2 4.35Å; T179-K181 PolarHBondContact O-N 3.12Å; T179-L182 WeakPolarHBondContact O-CB 3.05Å; T179-L182 PolarHBondContact O-N 2.88Å; T179-L182 VanDerWaalsContact O-N 3.11Å
180	D	92.6	Very high	93.6	Very high	79 Å²	79	37.1 Å²	37.1	42%	0.422	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	51.6	-117.9	169.8	-58.2	-57.5	0	0	0	113.8	R161 L182 C183 Q184	R161-D180 PolarHBondContact O-N 2.72Å; D180-L182 PolarHBondContact O-N 3.45Å; D180-C183 PolarHBondContact O-N 2.87Å; D180-C183 VanDerWaalsContact O-N 3.09Å; D180-Q184 WeakPolarHBondContact O-CG 3.4Å; D180-Q184 PolarHBondContact O-NE2 3.13Å
181	K	92	Very high	93.6	Very high	147 Å²	147	37.2 Å²	37.2	64%	0.639	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-59.5	-33.4	-176.2	-70	-174.4	179.3	-179.1	0	112.1	I121 T179 C183 Q184 T185	I121-K181 HydrophobicContact CG2-CB 4.5Å; T179-K181 PolarHBondContact O-N 3.12Å; K181-C183 PolarHBondContact O-N 3.18Å; K181-C183 VanDerWaalsContact O-N 3.14Å; K181-Q184 PolarHBondContact O-N 3.12Å; K181-T185 PolarHBondContact O-N 2.86Å
182	L	94.1	Very high	93.8	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.079	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.3	179.8	-57.2	-178.7	0	0	0	112.6	I121 M178 T179 D180 A188 A220 W223	I121-L182 HydrophobicContact CD1-CD2 4.04Å; I121-L182 HydrophobicContact CG2-CD2 4.22Å; M178-L182 HydrophobicContact CB-CB 4.05Å; T179-L182 WeakPolarHBondContact O-CB 3.05Å; T179-L182 PolarHBondContact O-N 2.88Å; T179-L182 VanDerWaalsContact O-N 3.11Å; D180-L182 PolarHBondContact O-N 3.45Å; L182-A188 WeakPolarHBondContact O-CB 3.46Å; L182-A220 HydrophobicContact CD1-CB 4Å; L182-A220 WeakPolarHBondContact CD1-O 3.44Å; L182-W223 PolarHBondContact O-NE1 3.34Å
183	C	92.3	Very high	94	Very high	10 Å²	10	37.2 Å²	37.2	7%	0.068	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-97.2	-0.4	179	-58.2	0	0	0	0	113.8	M163 M178 D180 K181	M163-C183 HydrophobicContact CB-CB 4.36Å; M163-C183 VanDerWaalsContact CB-SG 3.5Å; M163-C183 PolarHBondContact N-SG 3.47Å; M163-C183 VanDerWaalsContact N-SG 3.39Å; M178-C183 PolarHBondContact O-SG 2.72Å; D180-C183 PolarHBondContact O-N 2.87Å; D180-C183 VanDerWaalsContact O-N 3.09Å; K181-C183 PolarHBondContact O-N 3.18Å; K181-C183 VanDerWaalsContact O-N 3.14Å
184	Q	91.5	Very high	94.1	Very high	55 Å²	55	35.5 Å²	35.5	26%	0.257	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-9	-167.7	-67.4	169.5	8	0	0	113.5	A116 I119 K160 D180 K181	A116-Q184 WeakPolarHBondContact CB-O 3.38Å; I119-Q184 HydrophobicContact CD1-CB 3.74Å; K160-Q184 WeakPolarHBondContact O-CG 3.45Å; K160-Q184 PolarHBondContact O-NE2 3Å; K160-Q184 VanDerWaalsContact O-NE2 3.16Å; D180-Q184 WeakPolarHBondContact O-CG 3.4Å; D180-Q184 PolarHBondContact O-NE2 3.13Å; K181-Q184 PolarHBondContact O-N 3.12Å
185	T	92.5	Very high	94.2	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.049	18%	0.182	C	C	.	.	S	Bend	trans	-61.7	160.2	173.4	64.5	0	0	0	0	110.9	I119 I121 K181 D187 A188 L189	I119-T185 HydrophobicContact CG2-CG2 4.07Å; I121-T185 HydrophobicContact CB-CG2 4.44Å; I121-T185 HydrophobicContact CD1-CG2 4.1Å; I121-T185 HydrophobicContact CG1-CG2 4.05Å; I121-T185 HydrophobicContact CG2-CG2 3.64Å; K181-T185 PolarHBondContact O-N 2.86Å; T185-D187 VanDerWaalsContact C-N 3.28Å; T185-D187 PolarHBondContact O-N 2.93Å; T185-A188 WeakPolarHBondContact O-CB 3.24Å; T185-A188 PolarHBondContact O-N 2.83Å; T185-A188 VanDerWaalsContact O-N 3.11Å; T185-A188 WeakPolarHBondContact OG1-CB 3.45Å; T185-A188 PolarHBondContact OG1-N 3.15Å; T185-A188 VanDerWaalsContact OG1-N 3.1Å; T185-L189 WeakPolarHBondContact O-CG 3.29Å; T185-L189 PolarHBondContact O-N 3.35Å; T185-L189 VanDerWaalsContact O-N 3.14Å
186	Y	92.1	Very high	94.3	Very high	83 Å²	83	33.9 Å²	33.9	33%	0.325	18%	0.175	S	C	.	.	H	α-helix	trans	-52.9	-48.8	174.3	179.4	-95.6	0	0	0	111.4	L113 A116 K117 A188 L189 T190	L113-Y186 HydrophobicContact CB-CD2 4.29Å; L113-Y186 HydrophobicContact CB-CE2 4.11Å; L113-Y186 HydrophobicContact CD2-CD2 3.96Å; L113-Y186 HydrophobicContact CD2-CE2 3.87Å; L113-Y186 HydrophobicContact CG-CE2 4.43Å; A116-Y186 PolarHBondContact O-N 3Å; K117-Y186 HydrophobicContact CD-CD2 4.29Å; K117-Y186 HydrophobicContact CD-CE2 4.5Å; K117-Y186 VanDerWaalsContact CE-CE2 3.47Å; K117-Y186 HydrophobicContact CG-CD2 3.59Å; K117-Y186 HydrophobicContact CG-CE2 4.27Å; K117-Y186 HydrophobicContact CG-CG 3.93Å; Y186-A188 VanDerWaalsContact C-N 3.3Å; Y186-A188 PolarHBondContact O-N 2.83Å; Y186-L189 PolarHBondContact O-N 2.81Å; Y186-T190 HydrophobicContact CD1-CG2 4.38Å; Y186-T190 HydrophobicContact CE1-CG2 3.93Å; Y186-T190 HydrophobicContact CE2-CG2 4.2Å; Y186-T190 PolarHBondContact O-N 2.62Å; Y186-T190 VanDerWaalsContact O-N 3.07Å; Y186-T190 PolarHBondContact O-OG1 3.12Å
187	D	93.7	Very high	94.4	Very high	60 Å²	60	33.9 Å²	33.9	32%	0.321	18%	0.175	S	C	.	.	H	α-helix	trans	-58.8	-40.2	177.4	-62.1	-10.6	0	0	0	111.9	T185 L189 T190 L191 W223 L225	T185-D187 VanDerWaalsContact C-N 3.28Å; T185-D187 PolarHBondContact O-N 2.93Å; D187-L189 PolarHBondContact O-N 2.9Å; D187-T190 PolarHBondContact O-N 3.37Å; D187-T190 PolarHBondContact O-OG1 3.25Å; D187-L191 VanDerWaalsContact O-CB 3.29Å; D187-L191 WeakPolarHBondContact O-CB 3.34Å; D187-L191 PolarHBondContact O-N 2.85Å; D187-W223 HydrophobicContact CB-CH2 3.71Å; D187-W223 HydrophobicContact CB-CZ2 4.15Å; D187-W223 HydrophobicContact CB-CZ3 4.48Å; D187-L225 HydrophobicContact CB-CB 4.2Å; D187-L225 HydrophobicContact CB-CD2 4.36Å
188	A	93.1	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-30.7	177.2	0	0	0	0	0	112.9	R157 M163 L182 T185 Y186 W223	R157-A188 PolarHBondContact NE-O 3.05Å; R157-A188 PolarHBondContact NH2-O 2.86Å; M163-A188 HydrophobicContact CE-CB 4.31Å; L182-A188 WeakPolarHBondContact O-CB 3.46Å; T185-A188 WeakPolarHBondContact O-CB 3.24Å; T185-A188 PolarHBondContact O-N 2.83Å; T185-A188 VanDerWaalsContact O-N 3.11Å; T185-A188 WeakPolarHBondContact OG1-CB 3.45Å; T185-A188 PolarHBondContact OG1-N 3.15Å; T185-A188 VanDerWaalsContact OG1-N 3.1Å; Y186-A188 VanDerWaalsContact C-N 3.3Å; Y186-A188 PolarHBondContact O-N 2.83Å; A188-W223 HydrophobicContact CB-CZ2 3.83Å
189	L	91.4	Very high	94.6	Very high	71 Å²	71	34.7 Å²	34.7	37%	0.372	18%	0.178	S	C	.	.	H	α-helix	trans	-83.1	-25.3	179.1	-63.6	-173.1	0	0	0	113.1	L113 A116 T185 Y186 D187	L113-L189 HydrophobicContact CD2-CB 3.89Å; L113-L189 HydrophobicContact CD2-CD1 4.28Å; A116-L189 HydrophobicContact CB-CD1 3.47Å; A116-L189 VanDerWaalsContact CB-CD1 3.47Å; A116-L189 HydrophobicContact CB-CG 4.3Å; T185-L189 WeakPolarHBondContact O-CG 3.29Å; T185-L189 PolarHBondContact O-N 3.35Å; T185-L189 VanDerWaalsContact O-N 3.14Å; Y186-L189 PolarHBondContact O-N 2.81Å; D187-L189 PolarHBondContact O-N 2.9Å
190	T	91.7	Very high	94.8	Very high	60 Å²	60	32.1 Å²	32.1	37%	0.368	16%	0.162	S	C	.	.	H	α-helix	trans	-97.1	-15.6	178.7	56.4	0	0	0	0	113.7	L113 Y186 D187 S192	L113-T190 HydrophobicContact CD2-CG2 3.93Å; Y186-T190 HydrophobicContact CD1-CG2 4.38Å; Y186-T190 HydrophobicContact CE1-CG2 3.93Å; Y186-T190 HydrophobicContact CE2-CG2 4.2Å; Y186-T190 PolarHBondContact O-N 2.62Å; Y186-T190 VanDerWaalsContact O-N 3.07Å; Y186-T190 PolarHBondContact O-OG1 3.12Å; D187-T190 PolarHBondContact O-N 3.37Å; D187-T190 PolarHBondContact O-OG1 3.25Å; T190-S192 PolarHBondContact O-N 3.09Å
191	L	95.6	Very high	95	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	14%	0.142	C	C	.	.			trans	-53.6	129.7	-179	-170.2	69.5	0	0	0	112.4	V152 L155 R157 M163 L165 D187 I197 W223 L225	V152-L191 HydrophobicContact CG2-CD1 4.25Å; V152-L191 HydrophobicContact CG2-CD2 4.3Å; V152-L191 HydrophobicContact CG2-CG 4.47Å; L155-L191 HydrophobicContact CD1-CB 4.08Å; L155-L191 HydrophobicContact CD1-CD2 3.76Å; L155-L191 HydrophobicContact CD1-CG 3.75Å; L155-L191 WeakPolarHBondContact CD1-O 3.4Å; R157-L191 PolarHBondContact NH2-O 2.81Å; M163-L191 HydrophobicContact CE-CD2 4.09Å; M163-L191 HydrophobicContact SD-CD2 4.43Å; L165-L191 HydrophobicContact CD1-CD2 3.93Å; L165-L191 HydrophobicContact CD2-CD2 3.91Å; D187-L191 VanDerWaalsContact O-CB 3.29Å; D187-L191 WeakPolarHBondContact O-CB 3.34Å; D187-L191 PolarHBondContact O-N 2.85Å; L191-I197 HydrophobicContact CD1-CG2 3.78Å; L191-W223 HydrophobicContact CB-CH2 4.48Å; L191-W223 HydrophobicContact CD1-CH2 4.3Å; L191-W223 HydrophobicContact CD1-CZ3 4.15Å; L191-W223 HydrophobicContact CD2-CH2 4.08Å; L191-W223 HydrophobicContact CD2-CZ3 4.25Å; L191-L225 HydrophobicContact CD1-CD1 3.86Å
192	S	95.8	Very high	95.2	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.063	13%	0.125	C	C	.	.			trans	-120	159.4	179.5	54.5	0	0	0	0	111.2	T190 S195 A229	T190-S192 PolarHBondContact O-N 3.09Å; S192-S195 VanDerWaalsContact O-CB 3.3Å; S192-S195 WeakPolarHBondContact O-CB 3.39Å; S192-S195 PolarHBondContact O-N 2.94Å; S192-S195 PolarHBondContact O-OG 2.85Å; S192-S195 VanDerWaalsContact O-OG 3.08Å; S192-S195 PolarHBondContact OG-OG 3.1Å; S192-A229 PolarHBondContact OG-O 2.94Å
193	P	96.4	Very high	95.3	Very high	39 Å²	39	22.9 Å²	22.9	25%	0.253	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	151.3	163.7	-22.6	34.1	0	0	0	111.2	V152 S195 A229	V152-P193 CarbonylContact O-C 3.5Å; V152-P193 WeakPolarHBondContact O-CA 3.33Å; P193-S195 PolarHBondContact O-N 3.43Å; P193-A229 WeakPolarHBondContact O-CB 3.5Å
194	E	97.3	Very high	95.4	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.033	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-9.8	-170.6	-59.3	-59.1	120.9	0	0	116.8	V152 R168 S196 A229 I234 R256 Y1070 G1071	V152-E194 PolarHBondContact O-N 2.82Å; R168-E194 IonicContact CZ-OE1 2.7Å; R168-E194 IonicContact CZ-OE2 2.98Å; R168-E194 IonicContact NH1-OE1 2.68Å; R168-E194 PolarHBondContact NH1-OE1 3.25Å; R168-E194 IonicContact NH1-OE2 3.04Å; R168-E194 IonicContact NH2-OE1 3.3Å; R168-E194 IonicContact NH2-OE2 2.81Å; R168-E194 PolarHBondContact NH2-OE2 2.89Å; E194-S196 PolarHBondContact O-N 3.16Å; E194-A229 HydrophobicContact CB-CB 3.83Å; E194-I234 HydrophobicContact CG-CD1 4.03Å; E194-I234 HydrophobicContact CG-CG1 3.68Å; E194-R256 VanDerWaalsContact OE2-CD 3.23Å; E194-R256 WeakPolarHBondContact OE2-CD 3.42Å; E194-R256 IonicContact OE2-CZ 3.53Å; E194-R256 IonicContact OE2-NE 3.3Å; E194-R256 IonicContact OE2-NH1 3.68Å; E194-R256 PolarHBondContact OE2-NH1 3.27Å; E194-Y1070 HydrophobicContact CB-CD1 4.49Å; E194-G1071 WeakPolarHBondContact O-CA 3.26Å
195	S	98	Very high	95.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	16%	0.16	C	C	.	.			trans	-58.5	140.4	172.9	-67	0	0	0	0	110.7	W151 V152 S192 P193 G227 A229	W151-S195 CarbonylContact C-O 3.53Å; W151-S195 WeakPolarHBondContact CA-O 3.27Å; V152-S195 WeakPolarHBondContact CG2-O 3.21Å; V152-S195 PolarHBondContact N-O 3.29Å; S192-S195 VanDerWaalsContact O-CB 3.3Å; S192-S195 WeakPolarHBondContact O-CB 3.39Å; S192-S195 PolarHBondContact O-N 2.94Å; S192-S195 PolarHBondContact O-OG 2.85Å; S192-S195 VanDerWaalsContact O-OG 3.08Å; S192-S195 PolarHBondContact OG-OG 3.1Å; P193-S195 PolarHBondContact O-N 3.43Å; S195-G227 CarbonylContact C-O 3.31Å; S195-G227 WeakPolarHBondContact CA-O 3.38Å; S195-A229 PolarHBondContact OG-N 3.02Å
196	S	98.4	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.1	174	70	0	0	0	0	110.1	G150 E194 I226 G227 G1071 S1072	G150-S196 CarbonylContact O-C 3.57Å; G150-S196 WeakPolarHBondContact O-CA 3.35Å; E194-S196 PolarHBondContact O-N 3.16Å; S196-I226 WeakPolarHBondContact O-CB 3.35Å; S196-I226 PolarHBondContact O-N 3.49Å; S196-I226 WeakPolarHBondContact OG-CB 3.28Å; S196-G227 PolarHBondContact N-O 3Å; S196-G227 PolarHBondContact O-N 3.04Å; S196-G227 WeakPolarHBondContact OG-CA 3.37Å; S196-G227 PolarHBondContact OG-N 3.35Å; S196-G227 PolarHBondContact OG-O 2.86Å; S196-G1071 WeakPolarHBondContact CB-O 3.35Å; S196-S1072 WeakPolarHBondContact CB-O 3.37Å; S196-S1072 PolarHBondContact OG-O 3.46Å
197	I	98.1	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	168.8	-176.6	71.9	172	0	0	0	110.5	G150 V152 L165 L167 M178 L191 V199 W223 K224 L225	G150-I197 PolarHBondContact N-O 3.39Å; G150-I197 PolarHBondContact O-N 2.91Å; V152-I197 HydrophobicContact CG2-CD1 3.94Å; V152-I197 HydrophobicContact CG2-CG1 4.21Å; V152-I197 HydrophobicContact CG2-CG2 4.19Å; L165-I197 HydrophobicContact CD1-CD1 3.55Å; L167-I197 HydrophobicContact CD2-CD1 3.71Å; L167-I197 HydrophobicContact CD2-CG1 3.91Å; M178-I197 HydrophobicContact CE-CD1 4.3Å; L191-I197 HydrophobicContact CD1-CG2 3.78Å; I197-V199 HydrophobicContact CD1-CG2 3.49Å; I197-V199 VanDerWaalsContact CD1-CG2 3.49Å; I197-V199 HydrophobicContact CG1-CG2 4.08Å; I197-W223 HydrophobicContact CB-CE3 4.27Å; I197-W223 HydrophobicContact CB-CZ3 4.49Å; I197-W223 HydrophobicContact CD1-CE3 4.17Å; I197-W223 HydrophobicContact CG2-CE3 4.2Å; I197-W223 HydrophobicContact CG2-CZ3 3.92Å; I197-K224 WeakPolarHBondContact CA-O 3.4Å; I197-K224 WeakPolarHBondContact CB-O 3.31Å; I197-L225 HydrophobicContact CG2-CD1 3.93Å
198	F	97.8	Very high	93.8	Very high	25 Å²	25	39.5 Å²	39.5	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.5	152.9	72.9	-103.4	0	0	0	111.1	R147 I148 Y149 V200 F222 W223 K224 I226	R147-F198 HydrophobicContact CG-CB 4.41Å; R147-F198 HydrophobicContact CG-CD2 4.08Å; R147-F198 HydrophobicContact CG-CG 4.49Å; I148-F198 CarbonylContact O-C 3.57Å; I148-F198 WeakPolarHBondContact O-CA 3.4Å; Y149-F198 HydrophobicContact CD1-CB 3.5Å; Y149-F198 VanDerWaalsContact CD1-CB 3.5Å; Y149-F198 HydrophobicContact CD1-CD1 4.36Å; Y149-F198 HydrophobicContact CD1-CG 4.34Å; Y149-F198 HydrophobicContact CE1-CB 3.58Å; Y149-F198 AromaticContact CE1-CD1 3.72Å; Y149-F198 HydrophobicContact CE1-CD1 3.72Å; Y149-F198 AromaticContact CE1-CG 3.93Å; Y149-F198 HydrophobicContact CE1-CG 3.93Å; Y149-F198 HydrophobicContact CG-CB 4.01Å; F198-V200 HydrophobicContact CD2-CG2 3.94Å; F198-V200 HydrophobicContact CE2-CG2 3.94Å; F198-F222 AromaticContact CE2-CD1 3.88Å; F198-F222 HydrophobicContact CE2-CD1 3.88Å; F198-F222 AromaticContact CE2-CE1 3.51Å; F198-F222 HydrophobicContact CE2-CE1 3.51Å; F198-F222 AromaticContact CZ-CE1 3.74Å; F198-F222 HydrophobicContact CZ-CE1 3.74Å; F198-W223 CarbonylContact O-C 3.51Å; F198-W223 VanDerWaalsContact O-CA 3.22Å; F198-W223 WeakPolarHBondContact O-CA 3.46Å; F198-W223 VanDerWaalsContact O-CB 3.31Å; F198-W223 WeakPolarHBondContact O-CB 3.35Å; F198-K224 HydrophobicContact CD1-CB 4.02Å; F198-K224 HydrophobicContact CE1-CB 3.44Å; F198-K224 VanDerWaalsContact CE1-CB 3.44Å; F198-K224 HydrophobicContact CE1-CD 3.8Å; F198-K224 HydrophobicContact CE1-CG 4.14Å; F198-K224 HydrophobicContact CE2-CB 4.05Å; F198-K224 HydrophobicContact CZ-CB 3.43Å; F198-K224 VanDerWaalsContact CZ-CB 3.43Å; F198-K224 HydrophobicContact CZ-CD 4.03Å; F198-K224 HydrophobicContact CZ-CG 4.35Å; F198-K224 PolarHBondContact N-O 2.82Å; F198-K224 PolarHBondContact O-N 2.82Å; F198-I226 HydrophobicContact CB-CD1 4.41Å; F198-I226 HydrophobicContact CD1-CD1 4.13Å; F198-I226 HydrophobicContact CD1-CG1 4.26Å
199	V	97.6	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.5	176.2	-172.7	0	0	0	0	109.2	R147 I148 L167 M178 I197 L218 A220 W223	R147-V199 WeakPolarHBondContact CA-O 3.48Å; I148-V199 PolarHBondContact N-O 3.08Å; I148-V199 PolarHBondContact O-N 3.1Å; L167-V199 HydrophobicContact CD1-CB 4.32Å; L167-V199 HydrophobicContact CD1-CG2 3.78Å; M178-V199 HydrophobicContact CE-CG1 4.11Å; M178-V199 HydrophobicContact CE-CG2 3.61Å; I197-V199 HydrophobicContact CD1-CG2 3.49Å; I197-V199 VanDerWaalsContact CD1-CG2 3.49Å; I197-V199 HydrophobicContact CG1-CG2 4.08Å; V199-L218 HydrophobicContact CB-CD2 3.85Å; V199-L218 HydrophobicContact CG1-CD2 3.65Å; V199-L218 HydrophobicContact CG1-CG 4.4Å; V199-A220 HydrophobicContact CG1-CB 3.54Å; V199-W223 HydrophobicContact CB-CB 4.36Å; V199-W223 HydrophobicContact CG1-CB 4.28Å; V199-W223 HydrophobicContact CG2-CB 4.09Å
200	V	97.9	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.8	173.4	-167.9	0	0	0	0	108.8	A130 R145 V146 R147 F198 A220 D221 F222	A130-V200 HydrophobicContact CB-CG1 3.46Å; A130-V200 VanDerWaalsContact CB-CG1 3.46Å; R145-V200 HydrophobicContact CG-CG1 4.32Å; V146-V200 VanDerWaalsContact O-CA 3.32Å; V146-V200 WeakPolarHBondContact O-CA 3.36Å; R147-V200 HydrophobicContact CB-CG2 4.13Å; R147-V200 HydrophobicContact CG-CG2 3.97Å; F198-V200 HydrophobicContact CD2-CG2 3.94Å; F198-V200 HydrophobicContact CE2-CG2 3.94Å; V200-A220 WeakPolarHBondContact O-CA 3.46Å; V200-D221 PolarHBondContact O-N 3.18Å; V200-F222 HydrophobicContact CB-CB 4.22Å; V200-F222 HydrophobicContact CB-CD1 4.41Å; V200-F222 HydrophobicContact CG2-CD1 3.93Å; V200-F222 PolarHBondContact N-O 2.93Å; V200-F222 PolarHBondContact O-N 2.83Å
201	G	96.9	Very high	92.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	178.8	-176.3	0	0	0	0	0	113.3	R145 V146 L218 Q219 D221	R145-G201 CarbonylContact C-O 3.6Å; R145-G201 VanDerWaalsContact CA-O 3.27Å; R145-G201 WeakPolarHBondContact CA-O 3.35Å; V146-G201 PolarHBondContact N-O 2.97Å; V146-G201 PolarHBondContact O-N 2.97Å; G201-L218 VanDerWaalsContact C-CD1 3.42Å; G201-L218 WeakPolarHBondContact O-CD1 3.43Å; G201-Q219 CarbonylContact C-O 3.47Å; G201-Q219 WeakPolarHBondContact CA-O 3.49Å; G201-D221 WeakPolarHBondContact CA-OD2 3.45Å
202	T	96.9	Very high	92	Very high	46 Å²	46	53.9 Å²	53.9	28%	0.282	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128	175.4	-54.3	0	0	0	0	110.8	Q219	T202-Q219 PolarHBondContact N-O 3.09Å; T202-Q219 PolarHBondContact O-N 3.28Å
203	L	95.8	Very high	91.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129	172.3	-73.7	167.3	0	0	0	110.5	V138 N141 G143 I144 V146 L174 L218	V138-L203 HydrophobicContact CB-CD1 3.98Å; V138-L203 HydrophobicContact CB-CD2 4.11Å; V138-L203 HydrophobicContact CG1-CD1 4.15Å; V138-L203 HydrophobicContact CG1-CD2 4.08Å; N141-L203 HydrophobicContact CB-CD1 3.9Å; N141-L203 WeakPolarHBondContact O-CD1 3.34Å; G143-L203 WeakPolarHBondContact CA-O 3.41Å; G143-L203 PolarHBondContact N-O 2.88Å; I144-L203 PolarHBondContact O-N 2.95Å; V146-L203 HydrophobicContact CB-CD1 4.47Å; V146-L203 HydrophobicContact CG1-CD1 3.87Å; V146-L203 HydrophobicContact CG1-CG 4.48Å; V146-L203 HydrophobicContact CG2-CD1 3.79Å; V146-L203 HydrophobicContact CG2-CD2 4.41Å; V146-L203 HydrophobicContact CG2-CG 3.72Å; L174-L203 HydrophobicContact CD1-CD2 4.25Å; L174-L203 HydrophobicContact CD2-CD2 4.32Å; L203-L218 HydrophobicContact CD2-CB 4.22Å; L203-L218 HydrophobicContact CD2-CD1 4.09Å; L203-L218 HydrophobicContact CG-CD1 4.2Å
204	K	94.2	Very high	90.1	Very high	107 Å²	107	55.7 Å²	55.7	47%	0.465	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.8	177.4	-63.1	-165.3	-173.6	174.4	0	111.1	C216 E217 Q219	K204-C216 WeakPolarHBondContact O-CA 3.43Å; K204-C216 VanDerWaalsContact O-CB 3.27Å; K204-C216 WeakPolarHBondContact O-CB 3.27Å; K204-E217 PolarHBondContact N-O 3.28Å; K204-E217 PolarHBondContact O-N 2.78Å; K204-Q219 HydrophobicContact CD-CG 3.8Å; K204-Q219 HydrophobicContact CG-CG 4.17Å
205	K	90.7	Very high	89.4	Confident	155 Å²	155	57.6 Å²	57.6	67%	0.674	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	144.1	166.6	-71.6	-174.5	-180	-175.2	0	109.5	I142	I142-K205 HydrophobicContact CD1-CG 3.92Å; I142-K205 HydrophobicContact CG2-CG 3.78Å
206	L	86.6	Confident	89	Confident	29 Å²	29	57.6 Å²	57.6	15%	0.152	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-67.8	144.2	172.6	-64.6	168.5	0	0	0	110.3	K210 A212 E217	L206-K210 HydrophobicContact CB-CB 4.49Å; L206-A212 HydrophobicContact CD1-CB 3.58Å; L206-A212 HydrophobicContact CD2-CB 3.78Å; L206-A212 HydrophobicContact CG-CB 4.27Å; L206-E217 HydrophobicContact CD2-CB 4.06Å; L206-E217 HydrophobicContact CD2-CG 4.03Å
207	P	80.6	Confident	88.8	Confident	72 Å²	72	58.9 Å²	58.9	47%	0.468	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-58.3	151.9	166.3	-21.4	32.6	0	0	0	111.5	G209 K210	P207-G209 PolarHBondContact O-N 2.89Å; P207-K210 HydrophobicContact CG-CD 4.37Å; P207-K210 PolarHBondContact O-N 3.41Å; P207-K210 VanDerWaalsContact O-N 3.13Å
208	E	79.8	Confident	88.7	Confident	202 Å²	202	58.9 Å²	58.9	94%	0.944	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	133.5	176.4	-166	174.4	-175.3	0	0	111.3	K210	E208-K210 VanDerWaalsContact C-N 3.35Å; E208-K210 PolarHBondContact O-N 2.6Å
209	G	82.5	Confident	88.6	Confident	85 Å²	85	60.2 Å²	60.2	88%	0.876	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	0.1	-178.4	0	0	0	0	0	116	P207	P207-G209 PolarHBondContact O-N 2.89Å
210	K	85.4	Confident	88.6	Confident	142 Å²	142	60.8 Å²	60.8	62%	0.617	34%	0.342	S	S	*	.			trans	-100.2	139.8	170.7	-65.7	-158.9	178.4	-174.3	0	111.5	L206 P207 E208	L206-K210 HydrophobicContact CB-CB 4.49Å; P207-K210 HydrophobicContact CG-CD 4.37Å; P207-K210 PolarHBondContact O-N 3.41Å; P207-K210 VanDerWaalsContact O-N 3.13Å; E208-K210 VanDerWaalsContact C-N 3.35Å; E208-K210 PolarHBondContact O-N 2.6Å
211	E	83.1	Confident	88.5	Confident	195 Å²	195	63.1 Å²	63.1	91%	0.911	36%	0.355	S	S	*	.			trans	-112.6	135.4	173.9	-65.2	-178	174.3	0	0	109.9
212	A	83	Confident	88.5	Confident	17 Å²	17	64.2 Å²	64.2	14%	0.14	36%	0.36	C	S	.	.			trans	-145.2	152.9	167	0	0	0	0	0	108.4	Q175 L206 G214 G215	Q175-A212 HydrophobicContact CB-CB 3.99Å; L206-A212 HydrophobicContact CD1-CB 3.58Å; L206-A212 HydrophobicContact CD2-CB 3.78Å; L206-A212 HydrophobicContact CG-CB 4.27Å; A212-G214 PolarHBondContact O-N 2.97Å; A212-G215 PolarHBondContact O-N 2.71Å
213	P	78.7	Confident	88.5	Confident	49 Å²	49	62.2 Å²	62.2	32%	0.318	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-53.6	130.5	176.2	-24.7	34.2	0	0	0	111.5	V166 F173 G215	V166-P213 HydrophobicContact CG1-CG 4.39Å; F173-P213 HydrophobicContact CB-CB 3.66Å; F173-P213 HydrophobicContact CB-CG 4.28Å; F173-P213 CarbonylContact O-C 3.58Å; F173-P213 WeakPolarHBondContact O-CB 2.86Å; P213-G215 VanDerWaalsContact C-N 3.34Å; P213-G215 PolarHBondContact O-N 3.03Å
214	G	71.8	Confident	88.6	Confident	37 Å²	37	67.9 Å²	67.9	38%	0.381	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	76.6	10.1	-178	0	0	0	0	0	115.7	A212 C216	A212-G214 PolarHBondContact O-N 2.97Å; G214-C216 PolarHBondContact O-N 2.82Å; G214-C216 PolarHBondContact O-SG 3.1Å
215	G	82.7	Confident	88.7	Confident	47 Å²	47	64.5 Å²	64.5	49%	0.485	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	67.6	5.3	172.8	0	0	0	0	0	115.8	A212 P213	A212-G215 PolarHBondContact O-N 2.71Å; P213-G215 VanDerWaalsContact C-N 3.34Å; P213-G215 PolarHBondContact O-N 3.03Å
216	C	90.3	Very high	89	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	169.4	-179.9	63.8	0	0	0	0	110.8	V138 K204 G214	V138-C216 VanDerWaalsContact CG2-SG 3.52Å; K204-C216 WeakPolarHBondContact O-CA 3.43Å; K204-C216 VanDerWaalsContact O-CB 3.27Å; K204-C216 WeakPolarHBondContact O-CB 3.27Å; G214-C216 PolarHBondContact O-N 2.82Å; G214-C216 PolarHBondContact O-SG 3.1Å
217	E	94.1	Very high	89.5	Confident	27 Å²	27	57.7 Å²	57.7	13%	0.126	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.3	173.3	63.1	176.3	-160.6	0	0	111.5	Q175 K204 L206 Q219	Q175-E217 HydrophobicContact CB-CB 4.47Å; Q175-E217 PolarHBondContact NE2-OE2 3.13Å; Q175-E217 CarbonylContact O-C 3.57Å; Q175-E217 WeakPolarHBondContact O-CA 3.29Å; K204-E217 PolarHBondContact N-O 3.28Å; K204-E217 PolarHBondContact O-N 2.78Å; L206-E217 HydrophobicContact CD2-CB 4.06Å; L206-E217 HydrophobicContact CD2-CG 4.03Å; E217-Q219 PolarHBondContact OE1-NE2 3.37Å
218	L	96.3	Very high	90.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.8	174.6	-178	65.8	0	0	0	110	V146 I148 L174 Q175 S176 V177 V199 G201 L203 A220	V146-L218 HydrophobicContact CG2-CD1 3.68Å; I148-L218 HydrophobicContact CB-CD2 4.46Å; I148-L218 HydrophobicContact CG1-CD2 4.09Å; L174-L218 HydrophobicContact CD2-CB 4.09Å; L174-L218 HydrophobicContact CD2-CD2 4.38Å; L174-L218 HydrophobicContact CG-CB 4.48Å; Q175-L218 PolarHBondContact O-N 2.83Å; S176-L218 CarbonylContact C-O 3.56Å; S176-L218 VanDerWaalsContact CA-O 3.28Å; S176-L218 WeakPolarHBondContact CA-O 3.33Å; S176-L218 PolarHBondContact OG-O 3.24Å; V177-L218 PolarHBondContact N-O 2.9Å; V199-L218 HydrophobicContact CB-CD2 3.85Å; V199-L218 HydrophobicContact CG1-CD2 3.65Å; V199-L218 HydrophobicContact CG1-CG 4.4Å; G201-L218 VanDerWaalsContact C-CD1 3.42Å; G201-L218 WeakPolarHBondContact O-CD1 3.43Å; L203-L218 HydrophobicContact CD2-CB 4.22Å; L203-L218 HydrophobicContact CD2-CD1 4.09Å; L203-L218 HydrophobicContact CG-CD1 4.2Å; L218-A220 PolarHBondContact O-N 3.45Å
219	Q	96.1	Very high	91	Very high	53 Å²	53	50.6 Å²	50.6	25%	0.248	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	103.3	172.2	-70.4	-71.3	-12.6	0	0	108.7	G201 T202 K204 E217	G201-Q219 CarbonylContact C-O 3.47Å; G201-Q219 WeakPolarHBondContact CA-O 3.49Å; T202-Q219 PolarHBondContact N-O 3.09Å; T202-Q219 PolarHBondContact O-N 3.28Å; K204-Q219 HydrophobicContact CD-CG 3.8Å; K204-Q219 HydrophobicContact CG-CG 4.17Å; E217-Q219 PolarHBondContact OE1-NE2 3.37Å
220	A	96.9	Very high	91.5	Very high	12 Å²	12	48.3 Å²	48.3	10%	0.099	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.2	-172.5	0	0	0	0	0	111.4	V177 M178 L182 V199 V200 L218	V177-A220 WeakPolarHBondContact O-CB 3.37Å; V177-A220 PolarHBondContact O-N 2.87Å; M178-A220 HydrophobicContact CG-CB 3.81Å; L182-A220 HydrophobicContact CD1-CB 4Å; L182-A220 WeakPolarHBondContact CD1-O 3.44Å; V199-A220 HydrophobicContact CG1-CB 3.54Å; V200-A220 WeakPolarHBondContact O-CA 3.46Å; L218-A220 PolarHBondContact O-N 3.45Å
221	D	95.9	Very high	91.7	Very high	49 Å²	49	46.7 Å²	46.7	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-22	169	57.7	51	0	0	0	112.1	L127 R145 V200 G201	L127-D221 HydrophobicContact CD1-CB 4.11Å; R145-D221 WeakPolarHBondContact CD-OD2 3.19Å; R145-D221 IonicContact CZ-OD1 2.82Å; R145-D221 IonicContact CZ-OD2 2.7Å; R145-D221 IonicContact NE-OD1 3.01Å; R145-D221 PolarHBondContact NE-OD1 3.07Å; R145-D221 IonicContact NE-OD2 3.59Å; R145-D221 PolarHBondContact NE-OD2 2.82Å; R145-D221 IonicContact NH2-OD1 3.75Å; R145-D221 PolarHBondContact NH2-OD1 2.8Å; R145-D221 IonicContact NH2-OD2 3.97Å; V200-D221 PolarHBondContact O-N 3.18Å; G201-D221 WeakPolarHBondContact CA-OD2 3.45Å
222	F	97.1	Very high	91.9	Very high	24 Å²	24	39.2 Å²	39.2	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	153.7	175.7	176.3	-108.7	0	0	0	110.3	I121 E123 F198 V200	I121-F222 HydrophobicContact CB-CD2 4.49Å; I121-F222 HydrophobicContact CD1-CD2 4.21Å; I121-F222 HydrophobicContact CD1-CE2 4.29Å; I121-F222 HydrophobicContact CG1-CD2 4.25Å; I121-F222 HydrophobicContact CG1-CE2 4.06Å; E123-F222 HydrophobicContact CB-CB 4.4Å; E123-F222 HydrophobicContact CB-CD1 3.76Å; E123-F222 HydrophobicContact CB-CD2 4.23Å; E123-F222 HydrophobicContact CB-CE1 4Å; E123-F222 HydrophobicContact CB-CE2 4.47Å; E123-F222 HydrophobicContact CB-CG 3.87Å; E123-F222 HydrophobicContact CB-CZ 4.37Å; E123-F222 HydrophobicContact CG-CB 4.25Å; E123-F222 HydrophobicContact CG-CD1 3.96Å; E123-F222 HydrophobicContact CG-CG 4.16Å; F198-F222 AromaticContact CE2-CD1 3.88Å; F198-F222 HydrophobicContact CE2-CD1 3.88Å; F198-F222 AromaticContact CE2-CE1 3.51Å; F198-F222 HydrophobicContact CE2-CE1 3.51Å; F198-F222 AromaticContact CZ-CE1 3.74Å; F198-F222 HydrophobicContact CZ-CE1 3.74Å; V200-F222 HydrophobicContact CB-CB 4.22Å; V200-F222 HydrophobicContact CB-CD1 4.41Å; V200-F222 HydrophobicContact CG2-CD1 3.93Å; V200-F222 PolarHBondContact N-O 2.93Å; V200-F222 PolarHBondContact O-N 2.83Å
223	W	97.5	Very high	92.3	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	163.4	172.4	75.2	-81.1	0	0	0	110.6	I121 M178 L182 D187 A188 L191 I197 F198 V199 L225	I121-W223 WeakPolarHBondContact CD1-O 3.46Å; M178-W223 HydrophobicContact CE-CB 3.68Å; M178-W223 HydrophobicContact CE-CD2 3.75Å; M178-W223 HydrophobicContact CE-CE3 4.32Å; M178-W223 HydrophobicContact CE-CG 3.43Å; M178-W223 VanDerWaalsContact CE-CG 3.43Å; M178-W223 HydrophobicContact SD-CD2 4.14Å; M178-W223 HydrophobicContact SD-CG 4Å; L182-W223 PolarHBondContact O-NE1 3.34Å; D187-W223 HydrophobicContact CB-CH2 3.71Å; D187-W223 HydrophobicContact CB-CZ2 4.15Å; D187-W223 HydrophobicContact CB-CZ3 4.48Å; A188-W223 HydrophobicContact CB-CZ2 3.83Å; L191-W223 HydrophobicContact CB-CH2 4.48Å; L191-W223 HydrophobicContact CD1-CH2 4.3Å; L191-W223 HydrophobicContact CD1-CZ3 4.15Å; L191-W223 HydrophobicContact CD2-CH2 4.08Å; L191-W223 HydrophobicContact CD2-CZ3 4.25Å; I197-W223 HydrophobicContact CB-CE3 4.27Å; I197-W223 HydrophobicContact CB-CZ3 4.49Å; I197-W223 HydrophobicContact CD1-CE3 4.17Å; I197-W223 HydrophobicContact CG2-CE3 4.2Å; I197-W223 HydrophobicContact CG2-CZ3 3.92Å; F198-W223 CarbonylContact O-C 3.51Å; F198-W223 VanDerWaalsContact O-CA 3.22Å; F198-W223 WeakPolarHBondContact O-CA 3.46Å; F198-W223 VanDerWaalsContact O-CB 3.31Å; F198-W223 WeakPolarHBondContact O-CB 3.35Å; V199-W223 HydrophobicContact CB-CB 4.36Å; V199-W223 HydrophobicContact CG1-CB 4.28Å; V199-W223 HydrophobicContact CG2-CB 4.09Å; W223-L225 HydrophobicContact CZ3-CB 4.13Å
224	K	96.8	Very high	92.9	Very high	120 Å²	120	37.1 Å²	37.1	52%	0.522	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.6	176.3	-169.1	179.5	175.8	-178.8	0	111.4	I197 F198	I197-K224 WeakPolarHBondContact CA-O 3.4Å; I197-K224 WeakPolarHBondContact CB-O 3.31Å; F198-K224 HydrophobicContact CD1-CB 4.02Å; F198-K224 HydrophobicContact CE1-CB 3.44Å; F198-K224 VanDerWaalsContact CE1-CB 3.44Å; F198-K224 HydrophobicContact CE1-CD 3.8Å; F198-K224 HydrophobicContact CE1-CG 4.14Å; F198-K224 HydrophobicContact CE2-CB 4.05Å; F198-K224 HydrophobicContact CZ-CB 3.43Å; F198-K224 VanDerWaalsContact CZ-CB 3.43Å; F198-K224 HydrophobicContact CZ-CD 4.03Å; F198-K224 HydrophobicContact CZ-CG 4.35Å; F198-K224 PolarHBondContact N-O 2.82Å; F198-K224 PolarHBondContact O-N 2.82Å
225	L	97	Very high	93.5	Very high	35 Å²	35	41.8 Å²	41.8	18%	0.183	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.8	169	-177.9	62.7	0	0	0	110.5	D187 L191 I197 W223	D187-L225 HydrophobicContact CB-CB 4.2Å; D187-L225 HydrophobicContact CB-CD2 4.36Å; L191-L225 HydrophobicContact CD1-CD1 3.86Å; I197-L225 HydrophobicContact CG2-CD1 3.93Å; W223-L225 HydrophobicContact CZ3-CB 4.13Å
226	I	97.1	Very high	93.3	Very high	37 Å²	37	46.1 Å²	46.1	19%	0.19	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-55.4	178	-61.4	170.8	0	0	0	109.9	Y149 S196 F198 F906 W1042	Y149-I226 HydrophobicContact CD1-CD1 3.64Å; Y149-I226 HydrophobicContact CE1-CD1 3.96Å; S196-I226 WeakPolarHBondContact O-CB 3.35Å; S196-I226 PolarHBondContact O-N 3.49Å; S196-I226 WeakPolarHBondContact OG-CB 3.28Å; F198-I226 HydrophobicContact CB-CD1 4.41Å; F198-I226 HydrophobicContact CD1-CD1 4.13Å; F198-I226 HydrophobicContact CD1-CG1 4.26Å; I226-F906 HydrophobicContact CD1-CD1 3.95Å; I226-F906 HydrophobicContact CD1-CE1 3.8Å; I226-W1042 HydrophobicContact CG2-CZ3 4.43Å
227	G	96.3	Very high	93	Very high	5 Å²	5	48.7 Å²	48.7	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.7	177.4	0	0	0	0	0	109.9	S195 S196	S195-G227 CarbonylContact C-O 3.31Å; S195-G227 WeakPolarHBondContact CA-O 3.38Å; S196-G227 PolarHBondContact N-O 3Å; S196-G227 PolarHBondContact O-N 3.04Å; S196-G227 WeakPolarHBondContact OG-CA 3.37Å; S196-G227 PolarHBondContact OG-N 3.35Å; S196-G227 PolarHBondContact OG-O 2.86Å
228	D	95.3	Very high	92.6	Very high	115 Å²	115	48.3 Å²	48.3	62%	0.615	27%	0.267	S	S	*	.			trans	-72.8	168.4	174.8	53.9	-35.7	0	0	0	112	G1071	D228-G1071 WeakPolarHBondContact O-CA 3.46Å; D228-G1071 PolarHBondContact O-N 3.01Å
229	A	96.1	Very high	91.9	Very high	10 Å²	10	53.2 Å²	53.2	8%	0.083	29%	0.293	C	S	.	.			trans	-139.9	154.8	172.4	0	0	0	0	0	110.6	S192 P193 E194 S195 K1069	S192-A229 PolarHBondContact OG-O 2.94Å; P193-A229 WeakPolarHBondContact O-CB 3.5Å; E194-A229 HydrophobicContact CB-CB 3.83Å; S195-A229 PolarHBondContact OG-N 3.02Å; A229-K1069 WeakPolarHBondContact CA-O 3.29Å
230	P	93.6	Very high	90.8	Very high	36 Å²	36	60.3 Å²	60.3	23%	0.234	33%	0.326	C	S	.	.			trans	-54.4	148	177.5	-27.7	36	0	0	0	112.7	G232 G233 K1069 Y1070	P230-G232 PolarHBondContact O-N 3.25Å; P230-G233 PolarHBondContact O-N 3.46Å; P230-K1069 WeakPolarHBondContact CD-O 3.42Å; P230-Y1070 HydrophobicContact CB-CE1 4.48Å; P230-Y1070 HydrophobicContact CG-CD1 4.38Å; P230-Y1070 HydrophobicContact CG-CE1 3.88Å; P230-Y1070 HydrophobicContact CG-CE2 4.37Å
231	P	89.9	Confident	90	Very high	108 Å²	108	67 Å²	67	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	125.2	173.9	-24.9	34.4	0	0	0	111.4
232	G	87.5	Confident	89.3	Confident	38 Å²	38	65.6 Å²	65.6	39%	0.392	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-12.7	-175.2	0	0	0	0	0	114.7	P230 I234 D235	P230-G232 PolarHBondContact O-N 3.25Å; G232-I234 PolarHBondContact O-N 2.81Å; G232-D235 PolarHBondContact O-N 3.07Å
233	G	91	Very high	88.6	Confident	0 Å²	0	70 Å²	70	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	61.5	-133.4	-179.1	0	0	0	0	0	111.8	P230 D235 H236	P230-G233 PolarHBondContact O-N 3.46Å; G233-D235 VanDerWaalsContact C-N 3.35Å; G233-H236 WeakPolarHBondContact O-CB 3.5Å
234	I	91	Very high	87.9	Confident	23 Å²	23	72 Å²	72	12%	0.118	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-68.6	-34.2	-177.9	-56.3	173.3	0	0	0	111.7	E194 G232 H236 V237 L238 L253 R256	E194-I234 HydrophobicContact CG-CD1 4.03Å; E194-I234 HydrophobicContact CG-CG1 3.68Å; G232-I234 PolarHBondContact O-N 2.81Å; I234-H236 PolarHBondContact O-N 2.74Å; I234-V237 PolarHBondContact O-N 3.28Å; I234-L238 HydrophobicContact CG2-CB 4.27Å; I234-L238 HydrophobicContact CG2-CD1 3.94Å; I234-L238 HydrophobicContact CG2-CG 4.33Å; I234-L238 PolarHBondContact O-N 3.32Å; I234-L253 HydrophobicContact CD1-CB 4.43Å; I234-L253 WeakPolarHBondContact CD1-O 3.46Å; I234-L253 HydrophobicContact CG1-CB 4.39Å; I234-L253 HydrophobicContact CG2-CB 4.04Å; I234-R256 HydrophobicContact CD1-CB 3.76Å; I234-R256 HydrophobicContact CD1-CG 4.41Å
235	D	85	Confident	87.2	Confident	135 Å²	135	69.1 Å²	69.1	72%	0.722	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.9	-176.9	-57.6	-10.1	0	0	0	112.7	G232 G233 L238	G232-D235 PolarHBondContact O-N 3.07Å; G233-D235 VanDerWaalsContact C-N 3.35Å; D235-L238 WeakPolarHBondContact CA-O 3.24Å
236	H	78.8	Confident	86.7	Confident	137 Å²	137	70.4 Å²	70.4	63%	0.634	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-73.2	-27.5	171.9	178.9	-79.1	0	0	0	112.8	G233 I234	G233-H236 WeakPolarHBondContact O-CB 3.5Å; I234-H236 PolarHBondContact O-N 2.74Å
237	V	83.3	Confident	86.3	Confident	55 Å²	55	71.5 Å²	71.5	33%	0.333	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-40.8	-178.8	-177.7	0	0	0	0	111	I234 Q250 Y1070	I234-V237 PolarHBondContact O-N 3.28Å; V237-Q250 HydrophobicContact CG1-CG 4.06Å; V237-Y1070 WeakPolarHBondContact CG2-OH 3.31Å
238	L	86.5	Confident	86	Confident	18 Å²	18	72.5 Å²	72.5	9%	0.094	40%	0.399	C	S	.	.			trans	-118.1	114.9	-174	-61.8	178.6	0	0	0	109.9	I234 D235 A242 V246 L247 Q250 L253 V254	I234-L238 HydrophobicContact CG2-CB 4.27Å; I234-L238 HydrophobicContact CG2-CD1 3.94Å; I234-L238 HydrophobicContact CG2-CG 4.33Å; I234-L238 PolarHBondContact O-N 3.32Å; D235-L238 WeakPolarHBondContact CA-O 3.24Å; L238-A242 HydrophobicContact CD2-CB 4.47Å; L238-V246 HydrophobicContact CD2-CG1 3.95Å; L238-L247 HydrophobicContact CD1-CD2 4.34Å; L238-L247 HydrophobicContact CD2-CD2 4.21Å; L238-Q250 HydrophobicContact CD1-CB 4.01Å; L238-Q250 HydrophobicContact CD2-CB 3.9Å; L238-Q250 HydrophobicContact CD2-CG 4.1Å; L238-Q250 HydrophobicContact CG-CB 4.28Å; L238-L253 HydrophobicContact CD1-CB 4.47Å; L238-V254 HydrophobicContact CD1-CG2 3.45Å; L238-V254 VanDerWaalsContact CD1-CG2 3.45Å
239	N	80.4	Confident	85.7	Confident	103 Å²	103	71.4 Å²	71.4	55%	0.551	39%	0.393	S	S	*	.			trans	-93.7	168.5	169.2	64.6	42.4	0	0	0	110.7	D241 A242	N239-D241 PolarHBondContact O-N 2.87Å; N239-D241 VanDerWaalsContact OD1-C 3.25Å; N239-D241 WeakPolarHBondContact OD1-CA 3.25Å; N239-D241 PolarHBondContact OD1-N 2.53Å; N239-D241 VanDerWaalsContact OD1-N 3.08Å; N239-A242 WeakPolarHBondContact O-CB 3.23Å; N239-A242 PolarHBondContact O-N 2.73Å; N239-A242 PolarHBondContact OD1-N 3.06Å
240	E	74.4	Confident	85.6	Confident	202 Å²	202	72.8 Å²	72.8	94%	0.944	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.1	-178.3	-63.8	-178.1	171	0	0	113.3
241	D	78.7	Confident	85.6	Confident	152 Å²	152	71.5 Å²	71.5	81%	0.813	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	11.7	-178.1	-61.5	-47.6	0	0	0	113.1	N239 H243	N239-D241 PolarHBondContact O-N 2.87Å; N239-D241 VanDerWaalsContact OD1-C 3.25Å; N239-D241 WeakPolarHBondContact OD1-CA 3.25Å; N239-D241 PolarHBondContact OD1-N 2.53Å; N239-D241 VanDerWaalsContact OD1-N 3.08Å; D241-H243 PolarHBondContact O-N 2.61Å
242	A	81.9	Confident	86	Confident	20 Å²	20	66.4 Å²	66.4	17%	0.165	36%	0.355	C	S	.	.			trans	-60.8	133.2	-176.4	0	0	0	0	0	111.2	L238 N239 L247	L238-A242 HydrophobicContact CD2-CB 4.47Å; N239-A242 WeakPolarHBondContact O-CB 3.23Å; N239-A242 PolarHBondContact O-N 2.73Å; N239-A242 PolarHBondContact OD1-N 3.06Å; A242-L247 HydrophobicContact CB-CD2 3.94Å; A242-L247 HydrophobicContact CB-CG 4.14Å
243	H	81.8	Confident	86.4	Confident	117 Å²	117	64.6 Å²	64.6	54%	0.542	34%	0.337	S	S	.	.			trans	-57.7	143.1	178.3	-168.7	-98.1	0	0	0	110.4	D241 D245 V246 L247	D241-H243 PolarHBondContact O-N 2.61Å; H243-D245 IonicContact CE1-OD2 3.6Å; H243-D245 PolarHBondContact CE1-OD2 3.49Å; H243-D245 PolarHBondContact ND1-N 3.44Å; H243-D245 IonicContact ND1-OD2 2.81Å; H243-D245 PolarHBondContact ND1-OD2 3.17Å; H243-D245 PolarHBondContact O-N 3.1Å; H243-V246 HydrophobicContact CB-CG2 4.23Å; H243-V246 WeakPolarHBondContact O-CB 3.44Å; H243-V246 PolarHBondContact O-N 2.7Å; H243-L247 PolarHBondContact O-N 3.21Å; H243-L247 VanDerWaalsContact O-N 3.15Å
244	P	82.5	Confident	86.6	Confident	45 Å²	45	66.4 Å²	66.4	29%	0.292	35%	0.347	S	S	.	.	H	α-helix	trans	-52.7	-33.1	-179	-31.4	36.9	0	0	0	115.4	L247 L248	P244-L247 PolarHBondContact O-N 2.81Å; P244-L248 VanDerWaalsContact O-CG 3.27Å; P244-L248 WeakPolarHBondContact O-CG 3.36Å; P244-L248 PolarHBondContact O-N 3.26Å; P244-L248 VanDerWaalsContact O-N 3.16Å
245	D	82.6	Confident	86.8	Confident	61 Å²	61	65.4 Å²	65.4	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-71.4	-37.5	178.1	-57.5	-35.3	0	0	0	111.4	H243 L247 L248 D249 R345	H243-D245 IonicContact CE1-OD2 3.6Å; H243-D245 PolarHBondContact CE1-OD2 3.49Å; H243-D245 PolarHBondContact ND1-N 3.44Å; H243-D245 IonicContact ND1-OD2 2.81Å; H243-D245 PolarHBondContact ND1-OD2 3.17Å; H243-D245 PolarHBondContact O-N 3.1Å; D245-L247 VanDerWaalsContact C-N 3.3Å; D245-L247 PolarHBondContact O-N 2.89Å; D245-L248 CarbonylContact O-C 3.47Å; D245-L248 WeakPolarHBondContact O-CA 3.29Å; D245-L248 WeakPolarHBondContact O-CB 3.15Å; D245-L248 PolarHBondContact O-N 3.18Å; D245-D249 PolarHBondContact O-N 3.35Å; D245-R345 IonicContact OD1-CZ 3Å; D245-R345 IonicContact OD1-NH1 3.9Å; D245-R345 PolarHBondContact OD1-NH1 3.32Å; D245-R345 IonicContact OD1-NH2 2.8Å; D245-R345 PolarHBondContact OD1-NH2 3.3Å
246	V	86.7	Confident	87.3	Confident	61 Å²	61	59 Å²	59	37%	0.37	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-38	172.9	179.3	0	0	0	0	111.4	L238 H243 L248 D249 Q250	L238-V246 HydrophobicContact CD2-CG1 3.95Å; H243-V246 HydrophobicContact CB-CG2 4.23Å; H243-V246 WeakPolarHBondContact O-CB 3.44Å; H243-V246 PolarHBondContact O-N 2.7Å; V246-L248 PolarHBondContact O-N 3.41Å; V246-D249 PolarHBondContact O-N 2.86Å; V246-Q250 WeakPolarHBondContact O-CB 3.42Å; V246-Q250 PolarHBondContact O-N 2.92Å
247	L	88.5	Confident	88	Confident	61 Å²	61	53.9 Å²	53.9	32%	0.319	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-28.5	174	-65.6	175	0	0	0	112.4	L238 A242 H243 P244 D245 R251 V254	L238-L247 HydrophobicContact CD1-CD2 4.34Å; L238-L247 HydrophobicContact CD2-CD2 4.21Å; A242-L247 HydrophobicContact CB-CD2 3.94Å; A242-L247 HydrophobicContact CB-CG 4.14Å; H243-L247 PolarHBondContact O-N 3.21Å; H243-L247 VanDerWaalsContact O-N 3.15Å; P244-L247 PolarHBondContact O-N 2.81Å; D245-L247 VanDerWaalsContact C-N 3.3Å; D245-L247 PolarHBondContact O-N 2.89Å; L247-R251 WeakPolarHBondContact O-CA 3.47Å; L247-R251 PolarHBondContact O-N 3.41Å; L247-V254 HydrophobicContact CB-CG2 4.35Å; L247-V254 HydrophobicContact CD2-CG2 4.01Å; L247-V254 WeakPolarHBondContact O-CG2 3.43Å
248	L	89.9	Confident	88.4	Confident	26 Å²	26	54 Å²	54	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-80.4	-40	176.7	-69.8	171.8	0	0	0	111.7	P244 D245 V246 Q250 R251 P558 F560	P244-L248 VanDerWaalsContact O-CG 3.27Å; P244-L248 WeakPolarHBondContact O-CG 3.36Å; P244-L248 PolarHBondContact O-N 3.26Å; P244-L248 VanDerWaalsContact O-N 3.16Å; D245-L248 CarbonylContact O-C 3.47Å; D245-L248 WeakPolarHBondContact O-CA 3.29Å; D245-L248 WeakPolarHBondContact O-CB 3.15Å; D245-L248 PolarHBondContact O-N 3.18Å; V246-L248 PolarHBondContact O-N 3.41Å; L248-Q250 VanDerWaalsContact C-N 3.28Å; L248-Q250 PolarHBondContact O-N 2.88Å; L248-R251 WeakPolarHBondContact O-CB 3.46Å; L248-R251 PolarHBondContact O-N 3.38Å; L248-P558 HydrophobicContact CD2-CG 3.63Å; L248-F560 HydrophobicContact CD1-CE1 4.12Å; L248-F560 HydrophobicContact CD1-CZ 3.63Å
249	D	89.1	Confident	88.7	Confident	92 Å²	92	55.9 Å²	55.9	49%	0.492	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-37.7	174.4	-63.4	-19.5	0	0	0	111.1	D245 V246 R251 Y1062	D245-D249 PolarHBondContact O-N 3.35Å; V246-D249 PolarHBondContact O-N 2.86Å; D249-R251 VanDerWaalsContact C-N 3.35Å; D249-Y1062 WeakPolarHBondContact O-CE2 3.38Å; D249-Y1062 PolarHBondContact O-OH 3.32Å
250	Q	93.9	Very high	89.4	Confident	38 Å²	38	51.6 Å²	51.6	18%	0.178	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	25	179.7	-59.4	-61.1	-35.4	0	0	112.9	V237 L238 V246 L248 H252 L253 V254	V237-Q250 HydrophobicContact CG1-CG 4.06Å; L238-Q250 HydrophobicContact CD1-CB 4.01Å; L238-Q250 HydrophobicContact CD2-CB 3.9Å; L238-Q250 HydrophobicContact CD2-CG 4.1Å; L238-Q250 HydrophobicContact CG-CB 4.28Å; V246-Q250 WeakPolarHBondContact O-CB 3.42Å; V246-Q250 PolarHBondContact O-N 2.92Å; L248-Q250 VanDerWaalsContact C-N 3.28Å; L248-Q250 PolarHBondContact O-N 2.88Å; Q250-H252 PolarHBondContact O-N 3.3Å; Q250-H252 PolarHBondContact OE1-CE1 2.88Å; Q250-L253 WeakPolarHBondContact O-CA 3.48Å; Q250-L253 WeakPolarHBondContact O-CB 3.17Å; Q250-L253 PolarHBondContact O-N 2.84Å; Q250-V254 PolarHBondContact O-N 2.93Å
251	R	95.1	Very high	90.4	Very high	9 Å²	9	42.4 Å²	42.4	3%	0.034	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-27.8	-171	-171.8	167.9	-173.3	91	-1.2	113.9	L247 L248 D249 L253 V254 L255 L260 R552 I555 L556 Y557	L247-R251 WeakPolarHBondContact O-CA 3.47Å; L247-R251 PolarHBondContact O-N 3.41Å; L248-R251 WeakPolarHBondContact O-CB 3.46Å; L248-R251 PolarHBondContact O-N 3.38Å; D249-R251 VanDerWaalsContact C-N 3.35Å; R251-L253 PolarHBondContact O-N 3.4Å; R251-V254 PolarHBondContact O-N 3.01Å; R251-L255 WeakPolarHBondContact O-CB 3.47Å; R251-L255 PolarHBondContact O-N 2.99Å; R251-L260 HydrophobicContact CG-CD2 4.39Å; R251-R552 PolarHBondContact NH2-O 2.87Å; R251-I555 PolarHBondContact NH2-O 3.3Å; R251-L556 WeakPolarHBondContact CD-O 3.4Å; R251-L556 PolarHBondContact NE-O 3.01Å; R251-Y557 HydrophobicContact CB-CD1 4.13Å; R251-Y557 HydrophobicContact CB-CE1 4.02Å; R251-Y557 HydrophobicContact CG-CD1 4.13Å; R251-Y557 HydrophobicContact CG-CE1 4.13Å
252	H	96.3	Very high	91.2	Very high	2 Å²	2	37 Å²	37	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-28.3	172.1	60.1	-63.6	0	0	0	112.8	Q250 T868 Y1062 W1063 D1066	Q250-H252 PolarHBondContact O-N 3.3Å; Q250-H252 PolarHBondContact OE1-CE1 2.88Å; H252-T868 HydrophobicContact CB-CG2 4.41Å; H252-Y1062 AromaticContact CE1-CE2 3.69Å; H252-W1063 HydrophobicContact CB-CB 4.21Å; H252-D1066 IonicContact CD2-OD2 3.27Å; H252-D1066 IonicContact CE1-OD2 3.72Å; H252-D1066 IonicContact NE2-OD2 2.89Å; H252-D1066 PolarHBondContact NE2-OD2 3.23Å
253	L	96.5	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-87.1	-43.8	172	-56	-178.8	0	0	0	111.2	I234 L238 Q250 R251 L255 R256 Y1070	I234-L253 HydrophobicContact CD1-CB 4.43Å; I234-L253 WeakPolarHBondContact CD1-O 3.46Å; I234-L253 HydrophobicContact CG1-CB 4.39Å; I234-L253 HydrophobicContact CG2-CB 4.04Å; L238-L253 HydrophobicContact CD1-CB 4.47Å; Q250-L253 WeakPolarHBondContact O-CA 3.48Å; Q250-L253 WeakPolarHBondContact O-CB 3.17Å; Q250-L253 PolarHBondContact O-N 2.84Å; R251-L253 PolarHBondContact O-N 3.4Å; L253-L255 PolarHBondContact O-N 3.1Å; L253-R256 VanDerWaalsContact O-CB 3.27Å; L253-R256 WeakPolarHBondContact O-CB 3.37Å; L253-R256 PolarHBondContact O-N 3.17Å; L253-Y1070 HydrophobicContact CD1-CE2 4.32Å; L253-Y1070 HydrophobicContact CD2-CD1 4.49Å; L253-Y1070 HydrophobicContact CD2-CD2 4.05Å; L253-Y1070 HydrophobicContact CD2-CE2 4.46Å; L253-Y1070 HydrophobicContact CD2-CG 4.08Å
254	V	95	Very high	92.6	Very high	37 Å²	37	30.9 Å²	30.9	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-55.5	-37.2	177.5	179.9	0	0	0	0	111.9	L238 L247 Q250 R251 R256 G257 L260	L238-V254 HydrophobicContact CD1-CG2 3.45Å; L238-V254 VanDerWaalsContact CD1-CG2 3.45Å; L247-V254 HydrophobicContact CB-CG2 4.35Å; L247-V254 HydrophobicContact CD2-CG2 4.01Å; L247-V254 WeakPolarHBondContact O-CG2 3.43Å; Q250-V254 PolarHBondContact O-N 2.93Å; R251-V254 PolarHBondContact O-N 3.01Å; V254-R256 PolarHBondContact O-N 3.08Å; V254-R256 VanDerWaalsContact O-N 3.14Å; V254-G257 PolarHBondContact O-N 3.08Å; V254-L260 HydrophobicContact CB-CD2 4.38Å; V254-L260 HydrophobicContact CG1-CD2 3.86Å
255	L	96.3	Very high	93.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.8	177.3	-179.9	63.2	0	0	0	113.2	R251 L253 G257 L260 M264 L556 S872	R251-L255 WeakPolarHBondContact O-CB 3.47Å; R251-L255 PolarHBondContact O-N 2.99Å; L253-L255 PolarHBondContact O-N 3.1Å; L255-G257 PolarHBondContact O-N 2.88Å; L255-L260 HydrophobicContact CB-CD2 4.34Å; L255-L260 HydrophobicContact CD1-CD2 4.38Å; L255-L260 HydrophobicContact CD1-CG 4.07Å; L255-M264 HydrophobicContact CD1-CB 4.5Å; L255-M264 HydrophobicContact CD1-CG 3.65Å; L255-L556 HydrophobicContact CD1-CD1 4.13Å; L255-L556 HydrophobicContact CD2-CD1 3.66Å; L255-S872 WeakPolarHBondContact CG-OG 3.47Å; L255-S872 WeakPolarHBondContact O-CB 3.42Å
256	R	96	Very high	93.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.008	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.5	178.6	-56.7	-179.4	175.7	-153.1	6.6	113.3	E194 I234 L253 V254 P871 Y1070	E194-R256 VanDerWaalsContact OE2-CD 3.23Å; E194-R256 WeakPolarHBondContact OE2-CD 3.42Å; E194-R256 IonicContact OE2-CZ 3.53Å; E194-R256 IonicContact OE2-NE 3.3Å; E194-R256 IonicContact OE2-NH1 3.68Å; E194-R256 PolarHBondContact OE2-NH1 3.27Å; I234-R256 HydrophobicContact CD1-CB 3.76Å; I234-R256 HydrophobicContact CD1-CG 4.41Å; L253-R256 VanDerWaalsContact O-CB 3.27Å; L253-R256 WeakPolarHBondContact O-CB 3.37Å; L253-R256 PolarHBondContact O-N 3.17Å; V254-R256 PolarHBondContact O-N 3.08Å; V254-R256 VanDerWaalsContact O-N 3.14Å; R256-P871 HydrophobicContact CG-CB 4.3Å; R256-Y1070 PolarHBondContact NH1-O 3.37Å; R256-Y1070 PolarHBondContact NH2-O 3.2Å
257	G	92.4	Very high	94.4	Very high	29 Å²	29	24.6 Å²	24.6	30%	0.299	14%	0.136	S	C	.	.	S	Bend	trans	-70.2	153.6	171.5	0	0	0	0	0	112.9	V254 L255 S259 S261	V254-G257 PolarHBondContact O-N 3.08Å; L255-G257 PolarHBondContact O-N 2.88Å; G257-S259 PolarHBondContact O-N 3.37Å; G257-S261 WeakPolarHBondContact O-CB 3.21Å; G257-S261 PolarHBondContact O-N 3.09Å; G257-S261 PolarHBondContact O-OG 3.08Å
258	E	91.9	Very high	94.8	Very high	57 Å²	57	22.1 Å²	22.1	27%	0.266	13%	0.126	S	C	.	.	H	α-helix	trans	-61.7	-41.1	-176	-70.2	-169.8	-148.2	0	0	113.1	H153 R154 F173 S261 K262	H153-E258 IonicContact NE2-OE1 2.94Å; R154-E258 IonicContact CZ-OE1 3.82Å; R154-E258 IonicContact NH2-OE1 3.74Å; R154-E258 PolarHBondContact NH2-OE1 3.25Å; F173-E258 HydrophobicContact CE1-CG 4.45Å; F173-E258 HydrophobicContact CE2-CG 4.13Å; F173-E258 HydrophobicContact CZ-CG 3.72Å; E258-S261 PolarHBondContact O-OG 2.86Å; E258-S261 VanDerWaalsContact O-OG 3.08Å; E258-K262 WeakPolarHBondContact O-CB 3.37Å; E258-K262 WeakPolarHBondContact O-CD 3.34Å; E258-K262 WeakPolarHBondContact O-CG 3.21Å; E258-K262 PolarHBondContact O-N 2.8Å; E258-K262 VanDerWaalsContact O-N 3.09Å; E258-K262 IonicContact OE2-NZ 3.33Å; E258-K262 PolarHBondContact OE2-NZ 2.76Å
259	S	92.8	Very high	95	Very high	57 Å²	57	21.9 Å²	21.9	40%	0.399	13%	0.125	S	C	.	.	H	α-helix	trans	-67.2	-49.7	-175.1	-172	0	0	0	0	112.2	G257 K262 I263	G257-S259 PolarHBondContact O-N 3.37Å; S259-K262 PolarHBondContact O-N 3.26Å; S259-I263 WeakPolarHBondContact O-CD1 3.27Å; S259-I263 VanDerWaalsContact O-CG1 3.3Å; S259-I263 WeakPolarHBondContact O-CG1 3.39Å; S259-I263 PolarHBondContact O-N 3.29Å; S259-I263 VanDerWaalsContact O-N 3.1Å
260	L	94.3	Very high	95.4	Very high	14 Å²	14	17.5 Å²	17.5	7%	0.073	10%	0.101	C	C	.	.	H	α-helix	trans	-71.4	-39.8	-175.4	-170.1	56.5	0	0	0	111.4	R251 V254 L255 K262 I263 M264 D553	R251-L260 HydrophobicContact CG-CD2 4.39Å; V254-L260 HydrophobicContact CB-CD2 4.38Å; V254-L260 HydrophobicContact CG1-CD2 3.86Å; L255-L260 HydrophobicContact CB-CD2 4.34Å; L255-L260 HydrophobicContact CD1-CD2 4.38Å; L255-L260 HydrophobicContact CD1-CG 4.07Å; L260-K262 PolarHBondContact O-N 2.96Å; L260-I263 PolarHBondContact O-N 2.96Å; L260-M264 HydrophobicContact CD1-CE 3.56Å; L260-M264 HydrophobicContact CG-CE 4.31Å; L260-M264 WeakPolarHBondContact O-CG 3.5Å; L260-M264 PolarHBondContact O-N 2.83Å; L260-D553 VanDerWaalsContact CD1-O 3.27Å; L260-D553 WeakPolarHBondContact CD1-O 3.39Å
261	S	95.7	Very high	95.6	Very high	8 Å²	8	15.8 Å²	15.8	6%	0.056	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-42.4	173.5	58.4	0	0	0	0	112.5	G257 E258 I263 M264 K265	G257-S261 WeakPolarHBondContact O-CB 3.21Å; G257-S261 PolarHBondContact O-N 3.09Å; G257-S261 PolarHBondContact O-OG 3.08Å; E258-S261 PolarHBondContact O-OG 2.86Å; E258-S261 VanDerWaalsContact O-OG 3.08Å; S261-I263 PolarHBondContact O-N 3.04Å; S261-M264 PolarHBondContact O-N 3.02Å; S261-K265 WeakPolarHBondContact O-CG 3.3Å; S261-K265 PolarHBondContact O-N 2.61Å
262	K	95.9	Very high	95.6	Very high	40 Å²	40	17.2 Å²	17.2	17%	0.174	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-41.9	173.8	-71.8	174.1	-169.6	-178.1	0	112	E258 S259 L260 M264 K265 V266 L391 E394 L395	E258-K262 WeakPolarHBondContact O-CB 3.37Å; E258-K262 WeakPolarHBondContact O-CD 3.34Å; E258-K262 WeakPolarHBondContact O-CG 3.21Å; E258-K262 PolarHBondContact O-N 2.8Å; E258-K262 VanDerWaalsContact O-N 3.09Å; E258-K262 IonicContact OE2-NZ 3.33Å; E258-K262 PolarHBondContact OE2-NZ 2.76Å; S259-K262 PolarHBondContact O-N 3.26Å; L260-K262 PolarHBondContact O-N 2.96Å; K262-M264 PolarHBondContact O-N 3.13Å; K262-K265 PolarHBondContact O-N 2.88Å; K262-V266 WeakPolarHBondContact O-CG2 3.27Å; K262-V266 PolarHBondContact O-N 3.09Å; K262-L391 HydrophobicContact CD-CD2 4.12Å; K262-L391 HydrophobicContact CG-CD2 3.93Å; K262-E394 WeakPolarHBondContact CE-OE2 3.39Å; K262-E394 IonicContact NZ-OE2 3.53Å; K262-E394 PolarHBondContact NZ-OE2 2.87Å; K262-L395 HydrophobicContact CB-CD1 4.16Å; K262-L395 HydrophobicContact CB-CD2 4.36Å; K262-L395 HydrophobicContact CB-CG 4.45Å
263	I	96.9	Very high	95.7	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.015	11%	0.11	C	C	.	.	H	α-helix	trans	-62.2	-42.8	176.5	-65.9	161.2	0	0	0	110.8	S259 L260 S261 K265 V266 R267 L395 L542 R548 D553	S259-I263 WeakPolarHBondContact O-CD1 3.27Å; S259-I263 VanDerWaalsContact O-CG1 3.3Å; S259-I263 WeakPolarHBondContact O-CG1 3.39Å; S259-I263 PolarHBondContact O-N 3.29Å; S259-I263 VanDerWaalsContact O-N 3.1Å; L260-I263 PolarHBondContact O-N 2.96Å; S261-I263 PolarHBondContact O-N 3.04Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 2.96Å; I263-V266 PolarHBondContact O-N 2.82Å; I263-R267 WeakPolarHBondContact O-CB 3.26Å; I263-R267 PolarHBondContact O-N 2.86Å; I263-L395 HydrophobicContact CD1-CD2 4.46Å; I263-L395 HydrophobicContact CG1-CD1 3.77Å; I263-L395 HydrophobicContact CG1-CD2 3.93Å; I263-L542 HydrophobicContact CG2-CD2 4.16Å; I263-L542 HydrophobicContact CG2-CG 4.46Å; I263-R548 HydrophobicContact CD1-CG 4.13Å; I263-D553 WeakPolarHBondContact CG2-O 3.42Å
264	M	97.3	Very high	95.8	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-65.8	-34.6	177.1	-65.1	-53.1	131.3	0	0	112.8	L255 L260 S261 K262 R267 G268 I555 L556 L873	L255-M264 HydrophobicContact CD1-CB 4.5Å; L255-M264 HydrophobicContact CD1-CG 3.65Å; L260-M264 HydrophobicContact CD1-CE 3.56Å; L260-M264 HydrophobicContact CG-CE 4.31Å; L260-M264 WeakPolarHBondContact O-CG 3.5Å; L260-M264 PolarHBondContact O-N 2.83Å; S261-M264 PolarHBondContact O-N 3.02Å; K262-M264 PolarHBondContact O-N 3.13Å; M264-R267 WeakPolarHBondContact O-CB 3.26Å; M264-R267 PolarHBondContact O-N 3.07Å; M264-G268 PolarHBondContact O-N 2.87Å; M264-I555 WeakPolarHBondContact CE-O 3.5Å; M264-L556 HydrophobicContact CG-CD1 4.5Å; M264-L556 HydrophobicContact SD-CB 4.48Å; M264-L556 HydrophobicContact SD-CD1 4.43Å; M264-L873 HydrophobicContact CB-CD1 3.96Å; M264-L873 HydrophobicContact CB-CD2 4.17Å
265	K	95.7	Very high	95.9	Very high	31 Å²	31	16.7 Å²	16.7	14%	0.135	10%	0.103	C	C	.	.	H	α-helix	trans	-64.3	-47.3	170.6	-68.4	178.3	-179	-172.9	0	111.9	G170 S261 K262 I263 R267 G268 L269 L391 L873	G170-K265 VanDerWaalsContact O-CE 3.23Å; G170-K265 WeakPolarHBondContact O-CE 3.31Å; G170-K265 PolarHBondContact O-NZ 3.26Å; S261-K265 WeakPolarHBondContact O-CG 3.3Å; S261-K265 PolarHBondContact O-N 2.61Å; K262-K265 PolarHBondContact O-N 2.88Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-K265 PolarHBondContact O-N 2.96Å; K265-R267 PolarHBondContact O-N 3.32Å; K265-G268 PolarHBondContact O-N 3.03Å; K265-G268 VanDerWaalsContact O-N 3.08Å; K265-L269 WeakPolarHBondContact O-CG 3.48Å; K265-L269 PolarHBondContact O-N 3.39Å; K265-L391 HydrophobicContact CB-CD1 3.91Å; K265-L391 HydrophobicContact CD-CD1 4.11Å; K265-L873 HydrophobicContact CG-CD2 3.92Å
266	V	96.5	Very high	96	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-35.9	175.8	175.9	0	0	0	0	111.4	K262 I263 L269 L270 L391 V392 L395 L542 T546	K262-V266 WeakPolarHBondContact O-CG2 3.27Å; K262-V266 PolarHBondContact O-N 3.09Å; I263-V266 PolarHBondContact O-N 2.82Å; V266-L269 PolarHBondContact O-N 2.79Å; V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 3.14Å; V266-L391 HydrophobicContact CG2-CB 3.69Å; V266-L391 HydrophobicContact CG2-CD1 4.42Å; V266-V392 HydrophobicContact CG1-CG2 3.96Å; V266-V392 HydrophobicContact CG2-CG2 4.23Å; V266-L395 HydrophobicContact CG2-CD1 4.07Å; V266-L542 HydrophobicContact CB-CD1 4.37Å; V266-L542 HydrophobicContact CG1-CD1 3.81Å; V266-T546 HydrophobicContact CB-CG2 4.36Å; V266-T546 HydrophobicContact CG1-CG2 3.9Å
267	R	97.3	Very high	96.1	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-50.1	171.4	-174.1	-171.9	173.4	87	6.6	111.6	I263 M264 K265 L269 L270 L271 T354 L538 E539 L542 T554 T831	I263-R267 WeakPolarHBondContact O-CB 3.26Å; I263-R267 PolarHBondContact O-N 2.86Å; M264-R267 WeakPolarHBondContact O-CB 3.26Å; M264-R267 PolarHBondContact O-N 3.07Å; K265-R267 PolarHBondContact O-N 3.32Å; R267-L269 VanDerWaalsContact C-N 3.32Å; R267-L269 PolarHBondContact O-N 3.28Å; R267-L270 WeakPolarHBondContact O-CB 3.3Å; R267-L270 PolarHBondContact O-N 2.85Å; R267-L271 PolarHBondContact O-N 2.86Å; R267-T354 PolarHBondContact NH2-OG1 2.89Å; R267-L538 HydrophobicContact CG-CD2 4.46Å; R267-E539 IonicContact CZ-OE1 3.5Å; R267-E539 IonicContact NH1-OE1 3.34Å; R267-E539 PolarHBondContact NH1-OE1 2.73Å; R267-E539 IonicContact NH2-OE1 3.43Å; R267-E539 PolarHBondContact NH2-OE1 2.72Å; R267-L542 HydrophobicContact CB-CD2 3.58Å; R267-L542 HydrophobicContact CG-CD2 3.85Å; R267-T554 PolarHBondContact NH1-O 2.77Å; R267-T831 PolarHBondContact NE-OG1 2.79Å; R267-T831 VanDerWaalsContact NH2-CB 3.31Å; R267-T831 PolarHBondContact NH2-OG1 3.02Å
268	G	95.6	Very high	96.3	Very high	10 Å²	10	17.1 Å²	17.1	10%	0.103	10%	0.104	C	C	.	.	H	α-helix	trans	-58.9	-40.3	175.4	0	0	0	0	0	113	M264 K265 L271 A272	M264-G268 PolarHBondContact O-N 2.87Å; K265-G268 PolarHBondContact O-N 3.03Å; K265-G268 VanDerWaalsContact O-N 3.08Å; G268-L271 PolarHBondContact O-N 2.97Å; G268-A272 PolarHBondContact O-N 2.88Å; G268-A272 VanDerWaalsContact O-N 3.08Å
269	L	95.1	Very high	96.5	Very high	20 Å²	20	18.3 Å²	18.3	11%	0.105	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-40.1	174.7	-64	169.9	0	0	0	112.7	K265 V266 R267 A272 A273 E388	K265-L269 WeakPolarHBondContact O-CG 3.48Å; K265-L269 PolarHBondContact O-N 3.39Å; V266-L269 PolarHBondContact O-N 2.79Å; R267-L269 VanDerWaalsContact C-N 3.32Å; R267-L269 PolarHBondContact O-N 3.28Å; L269-A272 PolarHBondContact O-N 2.99Å; L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 2.79Å; L269-E388 HydrophobicContact CD1-CB 3.4Å; L269-E388 HydrophobicContact CD2-CB 4.16Å; L269-E388 HydrophobicContact CG-CB 4.3Å
270	L	97	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-47.6	175.8	-80.6	171.8	0	0	0	110.9	V266 R267 A272 A273 F274 V379 V383 L538 F541 L542	V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 3.14Å; R267-L270 WeakPolarHBondContact O-CB 3.3Å; R267-L270 PolarHBondContact O-N 2.85Å; L270-A272 VanDerWaalsContact C-N 3.31Å; L270-A272 PolarHBondContact O-N 3.22Å; L270-A273 PolarHBondContact O-N 3.19Å; L270-A273 VanDerWaalsContact O-N 3.08Å; L270-F274 HydrophobicContact CB-CD2 4.4Å; L270-F274 HydrophobicContact CB-CE2 4.41Å; L270-F274 HydrophobicContact CD2-CE2 4.26Å; L270-F274 WeakPolarHBondContact O-CD2 3.31Å; L270-F274 PolarHBondContact O-N 3.31Å; L270-V379 HydrophobicContact CD2-CG1 3.9Å; L270-V383 HydrophobicContact CD2-CG2 3.52Å; L270-V383 HydrophobicContact CG-CG2 4.13Å; L270-L538 HydrophobicContact CB-CD1 4.23Å; L270-F541 HydrophobicContact CD1-CD1 4.33Å; L270-F541 HydrophobicContact CD2-CD1 3.93Å; L270-F541 HydrophobicContact CD2-CE1 3.68Å; L270-L542 HydrophobicContact CD1-CB 3.81Å; L270-L542 HydrophobicContact CD1-CD1 3.55Å; L270-L542 HydrophobicContact CD1-CG 4.17Å
271	L	97.5	Very high	96.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-54.2	-47.3	175.4	-75.7	172.4	0	0	0	111.5	R267 G268 R275 I335 T354 L538 E829	R267-L271 PolarHBondContact O-N 2.86Å; G268-L271 PolarHBondContact O-N 2.97Å; L271-R275 WeakPolarHBondContact O-CG 3.45Å; L271-R275 PolarHBondContact O-N 3.49Å; L271-I335 HydrophobicContact CD2-CD1 4.3Å; L271-I335 HydrophobicContact CD2-CG2 3.79Å; L271-T354 HydrophobicContact CD2-CG2 4.48Å; L271-L538 HydrophobicContact CD2-CD2 3.54Å; L271-L538 HydrophobicContact CG-CD2 3.93Å; L271-E829 HydrophobicContact CD1-CG 4.14Å
272	A	96.2	Very high	96.5	Very high	40 Å²	40	22 Å²	22	33%	0.331	13%	0.134	S	C	.	.	H	α-helix	trans	-63.4	-40.9	175.5	0	0	0	0	0	112.6	G268 L269 L270 A276	G268-A272 PolarHBondContact O-N 2.88Å; G268-A272 VanDerWaalsContact O-N 3.08Å; L269-A272 PolarHBondContact O-N 2.99Å; L270-A272 VanDerWaalsContact C-N 3.31Å; L270-A272 PolarHBondContact O-N 3.22Å; A272-A276 VanDerWaalsContact O-CB 3.29Å; A272-A276 WeakPolarHBondContact O-CB 3.49Å; A272-A276 PolarHBondContact O-N 2.98Å
273	A	97.6	Very high	96.6	Very high	8 Å²	8	21 Å²	21	7%	0.066	13%	0.129	C	C	.	.	H	α-helix	trans	-68.7	-40.8	-179.1	0	0	0	0	0	113.1	L269 L270 A276 H277 V379 R382 V383	L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.47Å; L269-A273 PolarHBondContact O-N 2.79Å; L270-A273 PolarHBondContact O-N 3.19Å; L270-A273 VanDerWaalsContact O-N 3.08Å; A273-A276 PolarHBondContact O-N 3.28Å; A273-H277 WeakPolarHBondContact O-CB 3.18Å; A273-H277 PolarHBondContact O-N 2.96Å; A273-V379 HydrophobicContact CB-CG1 4.01Å; A273-R382 HydrophobicContact CB-CB 3.92Å; A273-V383 HydrophobicContact CB-CG2 3.74Å
274	F	98.4	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-50.7	173	-84	-69.8	0	0	0	110.9	L270 A276 H277 Y278 I335 V356 I375 V379 L536 L538 F541	L270-F274 HydrophobicContact CB-CD2 4.4Å; L270-F274 HydrophobicContact CB-CE2 4.41Å; L270-F274 HydrophobicContact CD2-CE2 4.26Å; L270-F274 WeakPolarHBondContact O-CD2 3.31Å; L270-F274 PolarHBondContact O-N 3.31Å; F274-A276 VanDerWaalsContact C-N 3.35Å; F274-A276 PolarHBondContact O-N 3.02Å; F274-H277 WeakPolarHBondContact O-CB 3.09Å; F274-H277 PolarHBondContact O-N 3.24Å; F274-H277 VanDerWaalsContact O-N 3.17Å; F274-Y278 WeakPolarHBondContact O-CD2 3.45Å; F274-Y278 PolarHBondContact O-N 2.66Å; F274-Y278 VanDerWaalsContact O-N 3.12Å; F274-I335 HydrophobicContact CB-CD1 4.23Å; F274-V356 HydrophobicContact CD1-CG1 4.21Å; F274-I375 HydrophobicContact CD1-CD1 3.88Å; F274-I375 HydrophobicContact CD1-CG1 4.05Å; F274-I375 HydrophobicContact CE1-CD1 4.03Å; F274-I375 HydrophobicContact CE1-CG1 3.99Å; F274-V379 HydrophobicContact CD1-CG1 4.29Å; F274-V379 HydrophobicContact CD1-CG2 3.67Å; F274-V379 HydrophobicContact CD2-CG1 4.06Å; F274-V379 HydrophobicContact CE1-CB 4.35Å; F274-V379 HydrophobicContact CE1-CG1 4.14Å; F274-V379 HydrophobicContact CE1-CG2 3.89Å; F274-V379 HydrophobicContact CE2-CG1 3.88Å; F274-V379 HydrophobicContact CG-CG1 4.23Å; F274-V379 HydrophobicContact CG-CG2 4.12Å; F274-V379 HydrophobicContact CZ-CG1 3.92Å; F274-L536 HydrophobicContact CE1-CD1 3.8Å; F274-L536 HydrophobicContact CE1-CD2 4.45Å; F274-L536 HydrophobicContact CE2-CD2 4.47Å; F274-L536 HydrophobicContact CZ-CD1 3.74Å; F274-L536 HydrophobicContact CZ-CD2 3.93Å; F274-L538 HydrophobicContact CD2-CD1 3.97Å; F274-L538 HydrophobicContact CE2-CD1 3.71Å; F274-F541 HydrophobicContact CE2-CD1 4.02Å; F274-F541 HydrophobicContact CE2-CE1 4.15Å; F274-F541 HydrophobicContact CE2-CG 4.49Å; F274-F541 AromaticContact CZ-CD1 3.87Å; F274-F541 HydrophobicContact CZ-CD1 3.87Å; F274-F541 HydrophobicContact CZ-CD2 4.22Å; F274-F541 AromaticContact CZ-CE1 3.85Å; F274-F541 HydrophobicContact CZ-CE1 3.85Å; F274-F541 HydrophobicContact CZ-CE2 4.18Å; F274-F541 HydrophobicContact CZ-CG 4.04Å; F274-F541 AromaticContact CZ-CZ 3.98Å; F274-F541 HydrophobicContact CZ-CZ 3.98Å
275	R	98.1	Very high	96.6	Very high	20 Å²	20	22.9 Å²	22.9	8%	0.075	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-44.1	177.4	-65.3	-169.8	-170.5	102.8	-6.2	111.9	L271 H277 Y278 T279 E285 Y333 I335 E829	L271-R275 WeakPolarHBondContact O-CG 3.45Å; L271-R275 PolarHBondContact O-N 3.49Å; R275-H277 VanDerWaalsContact C-N 3.31Å; R275-H277 PolarHBondContact O-N 2.84Å; R275-Y278 PolarHBondContact O-N 2.69Å; R275-T279 WeakPolarHBondContact O-CB 3.23Å; R275-T279 PolarHBondContact O-N 3.21Å; R275-T279 PolarHBondContact O-OG1 3.43Å; R275-E285 IonicContact NE-OE1 3.06Å; R275-E285 PolarHBondContact NE-OE1 3.49Å; R275-E285 IonicContact NE-OE2 2.74Å; R275-Y333 HydrophobicContact CG-CE2 4.07Å; R275-Y333 WeakPolarHBondContact CG-OH 3.37Å; R275-I335 HydrophobicContact CG-CD1 3.77Å; R275-E829 IonicContact CZ-OE1 3.95Å; R275-E829 VanDerWaalsContact CZ-OE1 3.31Å; R275-E829 IonicContact CZ-OE2 3.81Å; R275-E829 VanDerWaalsContact NH1-CD 3.32Å; R275-E829 IonicContact NH1-OE1 3.97Å; R275-E829 PolarHBondContact NH1-OE1 3.45Å; R275-E829 IonicContact NH1-OE2 3.28Å; R275-E829 PolarHBondContact NH1-OE2 3Å; R275-E829 IonicContact NH2-OE1 3.95Å; R275-E829 PolarHBondContact NH2-OE1 3.08Å
276	A	97	Very high	96.8	Very high	38 Å²	38	21.8 Å²	21.8	31%	0.314	13%	0.133	S	C	.	.	H	α-helix	trans	-62.4	-35.4	176.9	0	0	0	0	0	113.1	A272 A273 F274 S280	A272-A276 VanDerWaalsContact O-CB 3.29Å; A272-A276 WeakPolarHBondContact O-CB 3.49Å; A272-A276 PolarHBondContact O-N 2.98Å; A273-A276 PolarHBondContact O-N 3.28Å; F274-A276 VanDerWaalsContact C-N 3.35Å; F274-A276 PolarHBondContact O-N 3.02Å; A276-S280 VanDerWaalsContact O-CB 3.29Å; A276-S280 WeakPolarHBondContact O-CB 3.45Å; A276-S280 PolarHBondContact O-N 2.77Å; A276-S280 PolarHBondContact O-OG 3.16Å
277	H	98.2	Very high	96.8	Very high	4 Å²	4	23 Å²	23	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-53.4	172.9	169.7	92.3	0	0	0	110.7	A273 F274 R275 S280 R281 D374 I375 D378 V379	A273-H277 WeakPolarHBondContact O-CB 3.18Å; A273-H277 PolarHBondContact O-N 2.96Å; F274-H277 WeakPolarHBondContact O-CB 3.09Å; F274-H277 PolarHBondContact O-N 3.24Å; F274-H277 VanDerWaalsContact O-N 3.17Å; R275-H277 VanDerWaalsContact C-N 3.31Å; R275-H277 PolarHBondContact O-N 2.84Å; H277-S280 PolarHBondContact O-N 2.88Å; H277-S280 PolarHBondContact O-OG 3.18Å; H277-R281 PolarHBondContact CE1-NE 3.4Å; H277-R281 PolarHBondContact CE1-NH1 3.39Å; H277-R281 PolarHBondContact CE1-NH2 3.12Å; H277-R281 PolarHBondContact ND1-NH1 3.16Å; H277-R281 WeakPolarHBondContact NE2-CD 3.12Å; H277-R281 PolarHBondContact O-N 3.23Å; H277-R281 PolarHBondContact O-NH1 3.14Å; H277-D374 IonicContact CE1-OD2 3.46Å; H277-I375 WeakPolarHBondContact CE1-CA 3.39Å; H277-D378 IonicContact CG-OD2 2.9Å; H277-D378 IonicContact ND1-OD2 2.81Å; H277-D378 PolarHBondContact ND1-OD2 2.76Å; H277-V379 HydrophobicContact CB-CG2 3.97Å
278	Y	98.2	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-49.7	179.9	-75.9	-58.3	0	0	0	112.8	F274 R275 S280 R281 G282 Y283 Y333 V356 A358 I375 Y534	F274-Y278 WeakPolarHBondContact O-CD2 3.45Å; F274-Y278 PolarHBondContact O-N 2.66Å; F274-Y278 VanDerWaalsContact O-N 3.12Å; R275-Y278 PolarHBondContact O-N 2.69Å; Y278-S280 VanDerWaalsContact C-N 3.32Å; Y278-S280 PolarHBondContact O-N 3.05Å; Y278-R281 CarbonylContact O-C 3.56Å; Y278-R281 PolarHBondContact O-N 3.15Å; Y278-G282 PolarHBondContact O-N 3.19Å; Y278-G282 VanDerWaalsContact O-N 3.08Å; Y278-Y283 AromaticContact CD1-CD1 3.64Å; Y278-Y283 HydrophobicContact CD1-CD1 3.64Å; Y278-Y283 HydrophobicContact CD1-CD2 4.09Å; Y278-Y283 HydrophobicContact CD1-CE1 4Å; Y278-Y283 HydrophobicContact CD1-CE2 4.43Å; Y278-Y283 AromaticContact CD1-CG 3.69Å; Y278-Y283 HydrophobicContact CD1-CG 3.69Å; Y278-Y283 HydrophobicContact CE1-CD1 4.03Å; Y278-Y283 HydrophobicContact CE1-CE1 4.04Å; Y278-Y283 HydrophobicContact CG-CG 4.48Å; Y278-Y283 PolarHBondContact O-N 3.3Å; Y278-Y283 VanDerWaalsContact O-N 3.1Å; Y278-Y333 HydrophobicContact CD1-CD1 4.26Å; Y278-Y333 HydrophobicContact CD1-CG 4.03Å; Y278-Y333 HydrophobicContact CD2-CD1 4.12Å; Y278-Y333 AromaticContact CD2-CD2 3.25Å; Y278-Y333 HydrophobicContact CD2-CD2 3.25Å; Y278-Y333 HydrophobicContact CD2-CE1 4.33Å; Y278-Y333 AromaticContact CD2-CE2 3.52Å; Y278-Y333 HydrophobicContact CD2-CE2 3.52Å; Y278-Y333 AromaticContact CD2-CG 3.57Å; Y278-Y333 HydrophobicContact CD2-CG 3.57Å; Y278-Y333 HydrophobicContact CE1-CG 4.37Å; Y278-Y333 AromaticContact CE2-CD2 3.58Å; Y278-Y333 HydrophobicContact CE2-CD2 3.58Å; Y278-Y333 HydrophobicContact CE2-CE2 4.21Å; Y278-Y333 AromaticContact CE2-CG 3.94Å; Y278-Y333 HydrophobicContact CE2-CG 3.94Å; Y278-Y333 AromaticContact CG-CD1 3.78Å; Y278-Y333 HydrophobicContact CG-CD1 3.78Å; Y278-Y333 AromaticContact CG-CD2 3.81Å; Y278-Y333 HydrophobicContact CG-CD2 3.81Å; Y278-Y333 HydrophobicContact CG-CE1 4.07Å; Y278-Y333 HydrophobicContact CG-CE2 4.1Å; Y278-Y333 AromaticContact CG-CG 3.62Å; Y278-Y333 HydrophobicContact CG-CG 3.62Å; Y278-V356 HydrophobicContact CE2-CG1 3.88Å; Y278-A358 HydrophobicContact CE1-CB 3.64Å; Y278-A358 WeakPolarHBondContact OH-CB 3.28Å; Y278-I375 HydrophobicContact CE1-CD1 3.99Å; Y278-I375 HydrophobicContact CE2-CD1 3.83Å; Y278-I375 VanDerWaalsContact CZ-CD1 3.4Å; Y278-I375 WeakPolarHBondContact OH-CD1 3.44Å; Y278-Y534 WeakPolarHBondContact CE1-OH 3.49Å; Y278-Y534 VanDerWaalsContact OH-CE2 3.27Å; Y278-Y534 WeakPolarHBondContact OH-CE2 3.44Å; Y278-Y534 PolarHBondContact OH-OH 3.29Å
279	T	94.5	Very high	96.9	Very high	81 Å²	81	22.7 Å²	22.7	50%	0.497	14%	0.136	S	C	.	.	H	α-helix	trans	-57.6	-44.3	178.2	-58.7	0	0	0	0	111.4	R275 R281 G282	R275-T279 WeakPolarHBondContact O-CB 3.23Å; R275-T279 PolarHBondContact O-N 3.21Å; R275-T279 PolarHBondContact O-OG1 3.43Å; T279-R281 PolarHBondContact O-N 3.01Å; T279-R281 VanDerWaalsContact O-N 3.14Å; T279-G282 PolarHBondContact O-N 3.23Å; T279-G282 VanDerWaalsContact O-N 3.1Å
280	S	95.4	Very high	97	Very high	72 Å²	72	21.8 Å²	21.8	50%	0.503	13%	0.132	S	C	.	.	H	α-helix	trans	-65.5	-16	178.7	66.6	0	0	0	0	114.6	A276 H277 Y278 R382	A276-S280 VanDerWaalsContact O-CB 3.29Å; A276-S280 WeakPolarHBondContact O-CB 3.45Å; A276-S280 PolarHBondContact O-N 2.77Å; A276-S280 PolarHBondContact O-OG 3.16Å; H277-S280 PolarHBondContact O-N 2.88Å; H277-S280 PolarHBondContact O-OG 3.18Å; Y278-S280 VanDerWaalsContact C-N 3.32Å; Y278-S280 PolarHBondContact O-N 3.05Å; S280-R382 PolarHBondContact OG-NH2 3.02Å; S280-R382 VanDerWaalsContact OG-NH2 3.12Å
281	R	95.4	Very high	97	Very high	69 Å²	69	21.8 Å²	21.8	26%	0.26	13%	0.132	S	C	.	.	H	α-helix	trans	-101.9	-7	177.1	-72.8	166.4	179.3	72.9	-0.6	112.9	H277 Y278 T279 Y283 D374 D378 R680	H277-R281 PolarHBondContact CE1-NE 3.4Å; H277-R281 PolarHBondContact CE1-NH1 3.39Å; H277-R281 PolarHBondContact CE1-NH2 3.12Å; H277-R281 PolarHBondContact ND1-NH1 3.16Å; H277-R281 WeakPolarHBondContact NE2-CD 3.12Å; H277-R281 PolarHBondContact O-N 3.23Å; H277-R281 PolarHBondContact O-NH1 3.14Å; Y278-R281 CarbonylContact O-C 3.56Å; Y278-R281 PolarHBondContact O-N 3.15Å; T279-R281 PolarHBondContact O-N 3.01Å; T279-R281 VanDerWaalsContact O-N 3.14Å; R281-Y283 HydrophobicContact CB-CD2 3.9Å; R281-Y283 HydrophobicContact CB-CE2 3.93Å; R281-D374 IonicContact CZ-OD2 2.57Å; R281-D374 IonicContact NE-OD2 2.57Å; R281-D374 PolarHBondContact NE-OD2 3.45Å; R281-D374 VanDerWaalsContact NH2-CG 3.33Å; R281-D374 IonicContact NH2-OD1 3.52Å; R281-D374 PolarHBondContact NH2-OD1 3.18Å; R281-D374 IonicContact NH2-OD2 2.89Å; R281-D374 PolarHBondContact NH2-OD2 2.87Å; R281-D378 IonicContact CZ-OD2 3.61Å; R281-D378 IonicContact NH1-OD2 3.78Å; R281-D378 PolarHBondContact NH1-OD2 3.07Å; R281-D378 IonicContact NH2-OD2 3.77Å; R281-D378 PolarHBondContact NH2-OD2 2.88Å; R281-R680 PolarHBondContact O-NH2 2.9Å
282	G	93.6	Very high	96.9	Very high	16 Å²	16	21.8 Å²	21.8	17%	0.165	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	15.1	177	0	0	0	0	0	116.5	Y278 T279	Y278-G282 PolarHBondContact O-N 3.19Å; Y278-G282 VanDerWaalsContact O-N 3.08Å; T279-G282 PolarHBondContact O-N 3.23Å; T279-G282 VanDerWaalsContact O-N 3.1Å
283	Y	97.5	Very high	96.7	Very high	18 Å²	18	22.6 Å²	22.6	7%	0.071	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-76.2	143.7	177.5	-71.7	-122.5	0	0	0	109.8	Y278 R281 D331 A358 C360 R371	Y278-Y283 AromaticContact CD1-CD1 3.64Å; Y278-Y283 HydrophobicContact CD1-CD1 3.64Å; Y278-Y283 HydrophobicContact CD1-CD2 4.09Å; Y278-Y283 HydrophobicContact CD1-CE1 4Å; Y278-Y283 HydrophobicContact CD1-CE2 4.43Å; Y278-Y283 AromaticContact CD1-CG 3.69Å; Y278-Y283 HydrophobicContact CD1-CG 3.69Å; Y278-Y283 HydrophobicContact CE1-CD1 4.03Å; Y278-Y283 HydrophobicContact CE1-CE1 4.04Å; Y278-Y283 HydrophobicContact CG-CG 4.48Å; Y278-Y283 PolarHBondContact O-N 3.3Å; Y278-Y283 VanDerWaalsContact O-N 3.1Å; R281-Y283 HydrophobicContact CB-CD2 3.9Å; R281-Y283 HydrophobicContact CB-CE2 3.93Å; Y283-D331 VanDerWaalsContact CA-O 3.24Å; Y283-D331 WeakPolarHBondContact CA-O 3.41Å; Y283-D331 HydrophobicContact CD1-CB 3.7Å; Y283-D331 HydrophobicContact CD2-CB 3.93Å; Y283-D331 HydrophobicContact CE1-CB 3.75Å; Y283-D331 HydrophobicContact CE2-CB 3.95Å; Y283-D331 HydrophobicContact CG-CB 3.8Å; Y283-A358 HydrophobicContact CE1-CB 4.21Å; Y283-C360 PolarHBondContact OH-SG 2.79Å; Y283-R371 PolarHBondContact OH-NH1 3.09Å
284	Y	96.6	Very high	96.3	Very high	35 Å²	35	22.7 Å²	22.7	14%	0.137	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132	169.6	-70.3	-81.5	0	0	0	110.8	L329 D331 V332 Y333 K809	Y284-L329 HydrophobicContact CD2-CB 4.39Å; Y284-L329 VanDerWaalsContact CD2-O 3.29Å; Y284-L329 WeakPolarHBondContact CD2-O 3.49Å; Y284-D331 PolarHBondContact N-O 3.49Å; Y284-V332 WeakPolarHBondContact O-CA 3.48Å; Y284-Y333 WeakPolarHBondContact O-CD1 3.43Å; Y284-Y333 PolarHBondContact O-N 3.15Å; Y284-K809 HydrophobicContact CD1-CB 4.21Å; Y284-K809 HydrophobicContact CD1-CG 3.96Å; Y284-K809 HydrophobicContact CE1-CB 3.77Å; Y284-K809 HydrophobicContact CE1-CD 4.04Å; Y284-K809 HydrophobicContact CE1-CG 3.52Å; Y284-K809 HydrophobicContact CE2-CD 4.44Å; Y284-K809 HydrophobicContact CE2-CG 4.33Å
285	E	98.3	Very high	95.7	Very high	13 Å²	13	25.4 Å²	25.4	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.7	170.4	-167.3	175.2	172.7	0	0	109	R275 Y333 L815 R819	R275-E285 IonicContact NE-OE1 3.06Å; R275-E285 PolarHBondContact NE-OE1 3.49Å; R275-E285 IonicContact NE-OE2 2.74Å; E285-Y333 WeakPolarHBondContact CA-O 3.41Å; E285-Y333 HydrophobicContact CB-CD1 4.32Å; E285-Y333 HydrophobicContact CB-CE1 3.58Å; E285-Y333 HydrophobicContact CB-CE2 4.34Å; E285-Y333 HydrophobicContact CG-CE1 4.2Å; E285-Y333 HydrophobicContact CG-CE2 4.06Å; E285-Y333 PolarHBondContact OE2-OH 3.49Å; E285-L815 HydrophobicContact CG-CD1 4.2Å; E285-R819 VanDerWaalsContact CD-NH1 3.31Å; E285-R819 IonicContact OE1-CZ 3.93Å; E285-R819 VanDerWaalsContact OE1-CZ 3.31Å; E285-R819 IonicContact OE1-NH1 3.35Å; E285-R819 PolarHBondContact OE1-NH1 3.19Å; E285-R819 IonicContact OE1-NH2 3.3Å; E285-R819 PolarHBondContact OE1-NH2 3.35Å; E285-R819 IonicContact OE2-CZ 2.66Å; E285-R819 IonicContact OE2-NH1 3.56Å; E285-R819 PolarHBondContact OE2-NH1 3Å; E285-R819 IonicContact OE2-NH2 3.73Å
286	V	98	Very high	94.9	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.055	14%	0.14	C	C	.	.			trans	-117.9	157.2	175.4	-62.1	0	0	0	0	111	P288 L322 L329 V332 Y333 C334	V286-P288 WeakPolarHBondContact O-CD 3.46Å; V286-L322 HydrophobicContact CG2-CD2 3.3Å; V286-L329 HydrophobicContact CG1-CD1 3.55Å; V286-V332 HydrophobicContact CG1-CB 4.48Å; V286-V332 HydrophobicContact CG1-CG1 4.28Å; V286-V332 HydrophobicContact CG2-CB 4.46Å; V286-Y333 PolarHBondContact N-O 2.94Å; V286-C334 HydrophobicContact CG2-CB 4.37Å; V286-C334 VanDerWaalsContact O-CB 3.26Å; V286-C334 WeakPolarHBondContact O-CB 3.35Å
287	T	98.1	Very high	94	Very high	24 Å²	24	26.1 Å²	26.1	15%	0.147	14%	0.139	C	C	.	.			trans	-116.5	91.4	175.9	-41.3	0	0	0	0	109.4	R811 M881	T287-R811 VanDerWaalsContact CB-NH2 3.28Å; T287-R811 PolarHBondContact OG1-NE 3.29Å; T287-R811 PolarHBondContact OG1-NH2 2.81Å; T287-M881 HydrophobicContact CG2-SD 3.87Å
288	P	97.8	Very high	92.8	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.019	15%	0.154	C	C	.	.			trans	-70.3	156.2	174.7	29.5	-33.5	0	0	0	111.5	V286 S318 Y321 C334 L1100	V286-P288 WeakPolarHBondContact O-CD 3.46Å; P288-S318 WeakPolarHBondContact CG-OG 3.4Å; P288-Y321 HydrophobicContact CB-CD2 4.41Å; P288-Y321 HydrophobicContact CB-CG 4.38Å; P288-C334 HydrophobicContact CG-CB 4.07Å; P288-L1100 HydrophobicContact CB-CD2 4.46Å
289	P	97.3	Very high	91.7	Very high	4 Å²	4	29.4 Å²	29.4	3%	0.026	18%	0.175	C	C	.	.			trans	-70.3	145.5	176.4	31.2	-35.8	0	0	0	110.9	Y321 Y1101 R1103	P289-Y321 HydrophobicContact CG-CD1 4.11Å; P289-Y321 HydrophobicContact CG-CD2 4.15Å; P289-Y321 HydrophobicContact CG-CE1 3.68Å; P289-Y321 HydrophobicContact CG-CE2 3.78Å; P289-Y321 HydrophobicContact CG-CG 4.32Å; P289-Y1101 HydrophobicContact CG-CD2 4.36Å; P289-R1103 VanDerWaalsContact CG-NH2 3.27Å
290	T	97.3	Very high	90.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.186	C	C	.	.	S	Bend	trans	-102.4	-17.1	176	63.3	0	0	0	0	113	L314 T315 M881 Y883 E896	T290-L314 WeakPolarHBondContact O-CA 3.43Å; T290-T315 HydrophobicContact CG2-CG2 4.11Å; T290-T315 PolarHBondContact O-N 3.02Å; T290-M881 HydrophobicContact CG2-CG 4.28Å; T290-Y883 WeakPolarHBondContact OG1-CE1 3.25Å; T290-Y883 PolarHBondContact OG1-OH 2.84Å; T290-E896 WeakPolarHBondContact CB-OE1 3.4Å; T290-E896 PolarHBondContact N-OE1 2.86Å; T290-E896 PolarHBondContact N-OE2 3.48Å; T290-E896 PolarHBondContact OG1-OE1 2.92Å
291	M	96.4	Very high	89.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.2	167.1	-61.7	-172.9	-56.1	0	0	109.9	F305 Y307 F847 L858 Y883 E896 R1103	M291-F305 HydrophobicContact CB-CZ 3.91Å; M291-F305 HydrophobicContact CG-CE1 4.41Å; M291-F305 HydrophobicContact CG-CE2 4.43Å; M291-F305 HydrophobicContact CG-CZ 3.64Å; M291-F305 HydrophobicContact SD-CE2 4.05Å; M291-F305 HydrophobicContact SD-CZ 3.85Å; M291-Y307 HydrophobicContact CE-CD2 4.4Å; M291-Y307 HydrophobicContact CE-CE2 3.63Å; M291-Y307 HydrophobicContact SD-CD2 4.15Å; M291-Y307 HydrophobicContact SD-CE2 3.95Å; M291-F847 HydrophobicContact SD-CE2 4.31Å; M291-L858 HydrophobicContact SD-CD1 4.38Å; M291-Y883 HydrophobicContact CE-CD1 4.47Å; M291-Y883 HydrophobicContact CG-CD1 4.21Å; M291-Y883 HydrophobicContact CG-CE1 4.13Å; M291-Y883 HydrophobicContact SD-CD1 3.93Å; M291-Y883 HydrophobicContact SD-CE1 4.45Å; M291-E896 HydrophobicContact CE-CB 3.43Å; M291-E896 VanDerWaalsContact CE-CB 3.43Å; M291-E896 PolarHBondContact N-OE2 2.87Å; M291-R1103 HydrophobicContact CE-CB 3.59Å; M291-R1103 HydrophobicContact CE-CG 3.7Å; M291-R1103 PolarHBondContact O-NE 3.48Å; M291-R1103 PolarHBondContact O-NH2 3.04Å; M291-R1103 VanDerWaalsContact O-NH2 3.14Å
292	V	95.1	Very high	89.5	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.6	-170	-56	0	0	0	0	112.2	T294 Y313 Y321	V292-T294 WeakPolarHBondContact CG2-O 3.27Å; V292-Y313 WeakPolarHBondContact CG2-O 3.21Å; V292-Y313 PolarHBondContact N-O 3.32Å; V292-Y313 PolarHBondContact O-N 3.14Å; V292-Y321 HydrophobicContact CG1-CE2 3.71Å
293	Q	92.4	Very high	89.4	Confident	57 Å²	57	26 Å²	26	27%	0.266	16%	0.158	S	C	.	.	S	Bend	trans	-112.3	10.3	171.9	-74.3	177.9	-36.5	0	0	112.5	E310 C1108	Q293-E310 PolarHBondContact NE2-OE2 3.42Å; Q293-C1108 HydrophobicContact CG-CB 4.16Å
294	T	88.2	Confident	89.2	Confident	10 Å²	10	30.5 Å²	30.5	6%	0.061	18%	0.178	C	C	.	.	S	Bend	trans	-124.8	148.1	-177.2	52.3	0	0	0	0	111.7	V292 P516 Y517 W519	V292-T294 WeakPolarHBondContact CG2-O 3.27Å; T294-P516 HydrophobicContact CG2-CB 4.1Å; T294-Y517 HydrophobicContact CG2-CD1 4.15Å; T294-Y517 HydrophobicContact CG2-CD2 4.41Å; T294-Y517 HydrophobicContact CG2-CE1 3.87Å; T294-Y517 HydrophobicContact CG2-CE2 4.13Å; T294-Y517 HydrophobicContact CG2-CG 4.41Å; T294-W519 HydrophobicContact CG2-CZ2 4.12Å
295	Q	86.8	Confident	89	Confident	57 Å²	57	29.2 Å²	29.2	27%	0.266	17%	0.173	S	C	.	.			trans	-91.4	151.4	172	62.8	178.5	-18.1	0	0	111.3	L302 Y517	Q295-L302 HydrophobicContact CB-CD1 3.95Å; Q295-Y517 WeakPolarHBondContact CG-OH 3.24Å; Q295-Y517 PolarHBondContact N-OH 2.88Å; Q295-Y517 PolarHBondContact O-OH 2.98Å
296	V	81.7	Confident	88.8	Confident	9 Å²	9	33.3 Å²	33.3	6%	0.055	20%	0.195	C	C	.	.	S	Bend	trans	-123.7	-51.2	177.6	-173.7	0	0	0	0	111.8	L320 Y466	V296-L320 HydrophobicContact CG1-CG 4.3Å; V296-L320 HydrophobicContact CG2-CD1 3.84Å; V296-L320 HydrophobicContact CG2-CG 4.03Å; V296-Y466 HydrophobicContact CG1-CE1 4.16Å
297	E	77.1	Confident	88.5	Confident	64 Å²	64	33 Å²	33	30%	0.299	19%	0.193	S	C	.	.	S	Bend	trans	-108.2	28.1	-174.9	-62.9	-60.2	160.8	0	0	112.6	Q316 S464 Y466	E297-Q316 HydrophobicContact CB-CB 4.43Å; E297-S464 PolarHBondContact OE2-OG 2.64Å; E297-Y466 PolarHBondContact OE1-OH 3.45Å
298	G	74	Confident	88.2	Confident	31 Å²	31	34.7 Å²	34.7	32%	0.32	20%	0.197	S	C	.	.			trans	92.3	146.5	179.5	0	0	0	0	0	114.2	S300 Q316	G298-S300 VanDerWaalsContact C-N 3.29Å; G298-S300 PolarHBondContact O-N 2.84Å; G298-Q316 PolarHBondContact O-NE2 2.64Å
299	G	74.5	Confident	87.8	Confident	43 Å²	43	37.6 Å²	37.6	44%	0.443	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-74.6	-8.1	-168.4	0	0	0	0	0	116.5	T301	G299-T301 VanDerWaalsContact C-N 3.3Å; G299-T301 PolarHBondContact O-N 3.27Å
300	S	73.8	Confident	87.5	Confident	105 Å²	105	41.5 Å²	41.5	73%	0.734	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-74.1	-16.8	-174	64.7	0	0	0	0	114.6	G298	G298-S300 VanDerWaalsContact C-N 3.29Å; G298-S300 PolarHBondContact O-N 2.84Å
301	T	78.1	Confident	87.3	Confident	25 Å²	25	45.5 Å²	45.5	15%	0.153	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-120.7	25.8	-174.3	60.7	0	0	0	0	113.1	G299 Q316 R340 A341 E342	G299-T301 VanDerWaalsContact C-N 3.3Å; G299-T301 PolarHBondContact O-N 3.27Å; T301-Q316 PolarHBondContact OG1-NE2 3.42Å; T301-R340 CarbonylContact O-C 3.56Å; T301-R340 WeakPolarHBondContact O-CA 3.38Å; T301-A341 PolarHBondContact O-N 2.66Å; T301-E342 HydrophobicContact CG2-CG 4.04Å
302	L	87.1	Confident	87.2	Confident	29 Å²	29	45.5 Å²	45.5	15%	0.152	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-87.3	132.2	175.5	-70.7	168.2	0	0	0	111.5	Q295 Y313 Q316	Q295-L302 HydrophobicContact CB-CD1 3.95Å; L302-Y313 HydrophobicContact CB-CD1 3.84Å; L302-Y313 HydrophobicContact CB-CG 4.24Å; L302-Y313 HydrophobicContact CD1-CD1 4.06Å; L302-Y313 HydrophobicContact CD1-CD2 4.29Å; L302-Y313 HydrophobicContact CD1-CE1 4.36Å; L302-Y313 HydrophobicContact CD1-CG 4.02Å; L302-Y313 HydrophobicContact CD2-CG 4.34Å; L302-Y313 HydrophobicContact CG-CD1 4.45Å; L302-Y313 HydrophobicContact CG-CG 4.44Å; L302-Q316 HydrophobicContact CD2-CG 3.7Å
303	F	91.9	Very high	87.2	Confident	7 Å²	7	48 Å²	48	3%	0.031	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-81.5	118	163	-75.6	-75.6	0	0	0	109.2	Y313 L314 A341 M835 F849 Y851 Y852	F303-Y313 CarbonylContact O-C 3.56Å; F303-Y313 WeakPolarHBondContact O-CA 3.16Å; F303-L314 HydrophobicContact CB-CB 4.21Å; F303-L314 HydrophobicContact CB-CD1 3.9Å; F303-L314 HydrophobicContact CB-CG 4.12Å; F303-L314 HydrophobicContact CG-CD1 4.43Å; F303-L314 PolarHBondContact O-N 3.38Å; F303-A341 HydrophobicContact CD1-CB 4.11Å; F303-A341 HydrophobicContact CD2-CB 3.99Å; F303-A341 HydrophobicContact CE1-CB 3.96Å; F303-A341 HydrophobicContact CE2-CB 3.86Å; F303-A341 HydrophobicContact CG-CB 4.13Å; F303-A341 HydrophobicContact CZ-CB 3.85Å; F303-M835 HydrophobicContact CE2-SD 4.31Å; F303-F849 HydrophobicContact CD1-CD2 4.24Å; F303-F849 HydrophobicContact CD1-CE2 4.2Å; F303-Y851 AromaticContact CE1-CD2 3.67Å; F303-Y851 HydrophobicContact CE1-CD2 3.67Å; F303-Y851 HydrophobicContact CE1-CE2 4.11Å; F303-Y851 AromaticContact CZ-CD2 3.87Å; F303-Y851 HydrophobicContact CZ-CD2 3.87Å; F303-Y851 AromaticContact CZ-CE2 3.82Å; F303-Y851 HydrophobicContact CZ-CE2 3.82Å; F303-Y852 HydrophobicContact CE1-CE1 4.35Å; F303-Y852 HydrophobicContact CE1-CE2 4.08Å; F303-Y852 AromaticContact CE1-CZ 3.95Å; F303-Y852 HydrophobicContact CZ-CE1 4.33Å; F303-Y852 AromaticContact CZ-CE2 3.79Å; F303-Y852 HydrophobicContact CZ-CE2 3.79Å; F303-Y852 AromaticContact CZ-CZ 3.56Å; F303-Y852 WeakPolarHBondContact CZ-OH 3.39Å
304	K	93.1	Very high	87.3	Confident	113 Å²	113	45.3 Å²	45.3	49%	0.491	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	141.8	-179.4	174.5	175.4	165.9	165.2	0	111.1	E311 Y313	K304-E311 HydrophobicContact CD-CG 4.01Å; K304-E311 WeakPolarHBondContact CD-OE1 3.04Å; K304-E311 WeakPolarHBondContact CE-OE1 3.35Å; K304-E311 WeakPolarHBondContact CE-OE2 3.08Å; K304-E311 HydrophobicContact CG-CG 4.04Å; K304-E311 IonicContact NZ-OE1 3.62Å; K304-E311 PolarHBondContact NZ-OE1 2.78Å; K304-E311 IonicContact NZ-OE2 3.16Å; K304-E311 PolarHBondContact NZ-OE2 3.44Å; K304-Y313 HydrophobicContact CB-CD1 3.97Å; K304-Y313 HydrophobicContact CB-CE1 4.06Å; K304-Y313 HydrophobicContact CD-CE1 4.38Å; K304-Y313 HydrophobicContact CG-CD1 4.41Å; K304-Y313 HydrophobicContact CG-CE1 4.16Å
305	F	92.7	Very high	87.7	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	163.7	174.9	70.1	-84.6	0	0	0	112.1	M291 Y307 A312 Y313 L314 F847 F849	M291-F305 HydrophobicContact CB-CZ 3.91Å; M291-F305 HydrophobicContact CG-CE1 4.41Å; M291-F305 HydrophobicContact CG-CE2 4.43Å; M291-F305 HydrophobicContact CG-CZ 3.64Å; M291-F305 HydrophobicContact SD-CE2 4.05Å; M291-F305 HydrophobicContact SD-CZ 3.85Å; F305-Y307 AromaticContact CE2-CD2 3.97Å; F305-Y307 HydrophobicContact CE2-CD2 3.97Å; F305-Y307 HydrophobicContact CE2-CG 4.47Å; F305-A312 HydrophobicContact CD1-CB 4.42Å; F305-A312 WeakPolarHBondContact CD1-O 3.41Å; F305-A312 HydrophobicContact CE1-CB 3.84Å; F305-A312 HydrophobicContact CE2-CB 3.99Å; F305-A312 HydrophobicContact CZ-CB 3.58Å; F305-A312 PolarHBondContact N-O 3.28Å; F305-A312 PolarHBondContact O-N 3.26Å; F305-A312 VanDerWaalsContact O-N 3.12Å; F305-Y313 VanDerWaalsContact CE1-C 3.47Å; F305-L314 HydrophobicContact CD1-CD2 4.25Å; F305-L314 HydrophobicContact CD1-CG 4.36Å; F305-L314 HydrophobicContact CE1-CD2 3.86Å; F305-L314 HydrophobicContact CE1-CG 4.32Å; F305-F847 HydrophobicContact CD2-CD1 4.28Å; F305-F847 HydrophobicContact CE2-CD1 4.2Å; F305-F849 HydrophobicContact CB-CB 3.65Å
306	D	92.7	Very high	88	Confident	99 Å²	99	42.3 Å²	42.3	53%	0.529	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117	176.2	177.4	49.4	0	0	0	110.5	G309	D306-G309 WeakPolarHBondContact OD1-CA 3.42Å; D306-G309 PolarHBondContact OD1-N 3.36Å
307	Y	92.6	Very high	88.7	Confident	1 Å²	1	42 Å²	42	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	83.6	175.6	-171.2	-101	0	0	0	109.7	M291 F305 G309 E310 A312 F847 F1104 R1107 C1108	M291-Y307 HydrophobicContact CE-CD2 4.4Å; M291-Y307 HydrophobicContact CE-CE2 3.63Å; M291-Y307 HydrophobicContact SD-CD2 4.15Å; M291-Y307 HydrophobicContact SD-CE2 3.95Å; F305-Y307 AromaticContact CE2-CD2 3.97Å; F305-Y307 HydrophobicContact CE2-CD2 3.97Å; F305-Y307 HydrophobicContact CE2-CG 4.47Å; Y307-G309 VanDerWaalsContact C-N 3.29Å; Y307-G309 PolarHBondContact O-N 2.82Å; Y307-E310 PolarHBondContact N-O 3Å; Y307-E310 PolarHBondContact O-N 3.18Å; Y307-E310 VanDerWaalsContact O-N 3.09Å; Y307-A312 HydrophobicContact CG-CB 4.41Å; Y307-F847 HydrophobicContact CD2-CD1 4.4Å; Y307-F847 AromaticContact CD2-CE1 3.57Å; Y307-F847 HydrophobicContact CD2-CE1 3.57Å; Y307-F847 AromaticContact CD2-CZ 3.85Å; Y307-F847 HydrophobicContact CD2-CZ 3.85Å; Y307-F847 AromaticContact CE2-CE1 3.97Å; Y307-F847 HydrophobicContact CE2-CE1 3.97Å; Y307-F847 AromaticContact CE2-CZ 3.73Å; Y307-F847 HydrophobicContact CE2-CZ 3.73Å; Y307-F1104 VanDerWaalsContact OH-C 3.28Å; Y307-F1104 PolarHBondContact OH-N 3.48Å; Y307-F1104 VanDerWaalsContact OH-N 3.07Å; Y307-F1104 PolarHBondContact OH-O 3.23Å; Y307-R1107 WeakPolarHBondContact CE1-O 3.48Å; Y307-R1107 PolarHBondContact OH-O 2.77Å; Y307-C1108 HydrophobicContact CD1-CB 3.56Å; Y307-C1108 HydrophobicContact CE1-CB 3.52Å; Y307-C1108 HydrophobicContact CG-CB 4.29Å
308	Y	91.8	Very high	89.7	Confident	60 Å²	60	39 Å²	39	24%	0.235	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	36.8	179.5	-52.9	-79.2	0	0	0	114.3	F847 A885 E886 S895 V1105	Y308-F847 HydrophobicContact CD2-CE1 4.38Å; Y308-F847 AromaticContact CE2-CE1 3.97Å; Y308-F847 HydrophobicContact CE2-CE1 3.97Å; Y308-F847 AromaticContact CE2-CZ 3.7Å; Y308-F847 HydrophobicContact CE2-CZ 3.7Å; Y308-F847 AromaticContact CZ-CZ 3.81Å; Y308-A885 WeakPolarHBondContact OH-CA 3.45Å; Y308-E886 WeakPolarHBondContact CE1-O 3.24Å; Y308-E886 PolarHBondContact OH-N 3Å; Y308-E886 PolarHBondContact OH-O 2.78Å; Y308-S895 PolarHBondContact OH-OG 3.44Å; Y308-V1105 HydrophobicContact CD1-CB 4.38Å; Y308-V1105 HydrophobicContact CD1-CG2 3.61Å; Y308-V1105 HydrophobicContact CD2-CB 4.35Å; Y308-V1105 HydrophobicContact CD2-CG2 4.1Å; Y308-V1105 HydrophobicContact CE1-CB 4.22Å; Y308-V1105 HydrophobicContact CE1-CG2 3.88Å; Y308-V1105 HydrophobicContact CE2-CB 4.22Å; Y308-V1105 HydrophobicContact CE2-CG2 4.36Å; Y308-V1105 HydrophobicContact CG-CB 4.42Å; Y308-V1105 HydrophobicContact CG-CG2 3.7Å
309	G	90.3	Very high	90.8	Very high	65 Å²	65	38 Å²	38	67%	0.67	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.1	-10.2	-177.5	0	0	0	0	0	114.3	D306 Y307	D306-G309 WeakPolarHBondContact OD1-CA 3.42Å; D306-G309 PolarHBondContact OD1-N 3.36Å; Y307-G309 VanDerWaalsContact C-N 3.29Å; Y307-G309 PolarHBondContact O-N 2.82Å
310	E	90.9	Very high	91.9	Very high	86 Å²	86	36 Å²	36	40%	0.402	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.1	173.3	-63.8	-178.6	-172.9	0	0	111.3	Q293 Y307	Q293-E310 PolarHBondContact NE2-OE2 3.42Å; Y307-E310 PolarHBondContact N-O 3Å; Y307-E310 PolarHBondContact O-N 3.18Å; Y307-E310 VanDerWaalsContact O-N 3.09Å
311	E	92.1	Very high	93.1	Very high	85 Å²	85	31.3 Å²	31.3	40%	0.397	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.1	172.6	-175.5	166	153.6	0	0	110.4	K304 Y313	K304-E311 HydrophobicContact CD-CG 4.01Å; K304-E311 WeakPolarHBondContact CD-OE1 3.04Å; K304-E311 WeakPolarHBondContact CE-OE1 3.35Å; K304-E311 WeakPolarHBondContact CE-OE2 3.08Å; K304-E311 HydrophobicContact CG-CG 4.04Å; K304-E311 IonicContact NZ-OE1 3.62Å; K304-E311 PolarHBondContact NZ-OE1 2.78Å; K304-E311 IonicContact NZ-OE2 3.16Å; K304-E311 PolarHBondContact NZ-OE2 3.44Å; E311-Y313 HydrophobicContact CG-CE1 4.15Å; E311-Y313 WeakPolarHBondContact OE1-CE1 3.37Å; E311-Y313 VanDerWaalsContact OE1-CZ 3.29Å; E311-Y313 PolarHBondContact OE1-OH 2.8Å
312	A	94.4	Very high	94	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	166	173.1	0	0	0	0	0	110.8	F305 Y307	F305-A312 HydrophobicContact CD1-CB 4.42Å; F305-A312 WeakPolarHBondContact CD1-O 3.41Å; F305-A312 HydrophobicContact CE1-CB 3.84Å; F305-A312 HydrophobicContact CE2-CB 3.99Å; F305-A312 HydrophobicContact CZ-CB 3.58Å; F305-A312 PolarHBondContact N-O 3.28Å; F305-A312 PolarHBondContact O-N 3.26Å; F305-A312 VanDerWaalsContact O-N 3.12Å; Y307-A312 HydrophobicContact CG-CB 4.41Å
313	Y	94.9	Very high	94.6	Very high	54 Å²	54	28.9 Å²	28.9	21%	0.212	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.8	-178.6	-45.5	-79.7	0	0	0	111.8	V292 L302 F303 K304 F305 E311	V292-Y313 WeakPolarHBondContact CG2-O 3.21Å; V292-Y313 PolarHBondContact N-O 3.32Å; V292-Y313 PolarHBondContact O-N 3.14Å; L302-Y313 HydrophobicContact CB-CD1 3.84Å; L302-Y313 HydrophobicContact CB-CG 4.24Å; L302-Y313 HydrophobicContact CD1-CD1 4.06Å; L302-Y313 HydrophobicContact CD1-CD2 4.29Å; L302-Y313 HydrophobicContact CD1-CE1 4.36Å; L302-Y313 HydrophobicContact CD1-CG 4.02Å; L302-Y313 HydrophobicContact CD2-CG 4.34Å; L302-Y313 HydrophobicContact CG-CD1 4.45Å; L302-Y313 HydrophobicContact CG-CG 4.44Å; F303-Y313 CarbonylContact O-C 3.56Å; F303-Y313 WeakPolarHBondContact O-CA 3.16Å; K304-Y313 HydrophobicContact CB-CD1 3.97Å; K304-Y313 HydrophobicContact CB-CE1 4.06Å; K304-Y313 HydrophobicContact CD-CE1 4.38Å; K304-Y313 HydrophobicContact CG-CD1 4.41Å; K304-Y313 HydrophobicContact CG-CE1 4.16Å; F305-Y313 VanDerWaalsContact CE1-C 3.47Å; E311-Y313 HydrophobicContact CG-CE1 4.15Å; E311-Y313 WeakPolarHBondContact OE1-CE1 3.37Å; E311-Y313 VanDerWaalsContact OE1-CZ 3.29Å; E311-Y313 PolarHBondContact OE1-OH 2.8Å
314	L	95.7	Very high	94.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.2	166.4	-59.6	-179.8	0	0	0	110	T290 F303 F305 Y339 M835 L858	T290-L314 WeakPolarHBondContact O-CA 3.43Å; F303-L314 HydrophobicContact CB-CB 4.21Å; F303-L314 HydrophobicContact CB-CD1 3.9Å; F303-L314 HydrophobicContact CB-CG 4.12Å; F303-L314 HydrophobicContact CG-CD1 4.43Å; F303-L314 PolarHBondContact O-N 3.38Å; F305-L314 HydrophobicContact CD1-CD2 4.25Å; F305-L314 HydrophobicContact CD1-CG 4.36Å; F305-L314 HydrophobicContact CE1-CD2 3.86Å; F305-L314 HydrophobicContact CE1-CG 4.32Å; L314-Y339 HydrophobicContact CB-CD1 4.44Å; L314-Y339 HydrophobicContact CB-CD2 3.56Å; L314-Y339 HydrophobicContact CB-CE2 4.19Å; L314-Y339 HydrophobicContact CB-CG 3.68Å; L314-Y339 HydrophobicContact CD1-CD1 3.85Å; L314-Y339 HydrophobicContact CD1-CD2 4.37Å; L314-Y339 HydrophobicContact CD1-CE1 4.19Å; L314-Y339 HydrophobicContact CD1-CG 3.93Å; L314-Y339 HydrophobicContact CG-CD2 4.43Å; L314-Y339 HydrophobicContact CG-CG 4.41Å; L314-M835 HydrophobicContact CD1-SD 4.41Å; L314-L858 HydrophobicContact CD1-CD2 3.91Å; L314-L858 HydrophobicContact CD2-CD1 3.92Å; L314-L858 HydrophobicContact CD2-CD2 3.67Å; L314-L858 HydrophobicContact CD2-CG 4.41Å; L314-L858 HydrophobicContact CG-CD2 4.4Å
315	T	96.1	Very high	95.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	13%	0.125	C	C	.	.			trans	-64.3	136.7	-173.2	-169.3	0	0	0	0	113.7	T290 S317 Y339	T290-T315 HydrophobicContact CG2-CG2 4.11Å; T290-T315 PolarHBondContact O-N 3.02Å; T315-S317 PolarHBondContact OG1-N 3.1Å; T315-S317 PolarHBondContact OG1-O 2.98Å; T315-Y339 HydrophobicContact CG2-CD2 4.37Å; T315-Y339 HydrophobicContact CG2-CE2 4.46Å; T315-Y339 WeakPolarHBondContact O-CD2 3.35Å; T315-Y339 PolarHBondContact O-N 3.03Å
316	Q	93.6	Very high	95.4	Very high	2 Å²	2	23 Å²	23	1%	0.009	12%	0.124	C	C	.	.	S	Bend	trans	-85.7	-25.3	171.1	-66.9	168	-43.4	0	0	112.7	E297 G298 T301 L302 S338	E297-Q316 HydrophobicContact CB-CB 4.43Å; G298-Q316 PolarHBondContact O-NE2 2.64Å; T301-Q316 PolarHBondContact OG1-NE2 3.42Å; L302-Q316 HydrophobicContact CD2-CG 3.7Å; Q316-S338 WeakPolarHBondContact O-CB 3.43Å; Q316-S338 PolarHBondContact O-OG 3.15Å
317	S	96.1	Very high	95.6	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.021	10%	0.101	C	C	.	.			trans	-168.6	142.8	-175.5	161.6	0	0	0	0	108.9	T315 Q319 E357	T315-S317 PolarHBondContact OG1-N 3.1Å; T315-S317 PolarHBondContact OG1-O 2.98Å; S317-Q319 VanDerWaalsContact OG-CB 3.29Å; S317-Q319 WeakPolarHBondContact OG-CB 3.28Å; S317-Q319 PolarHBondContact OG-N 3.35Å; S317-Q319 VanDerWaalsContact OG-N 3.09Å; S317-E357 WeakPolarHBondContact CB-OE1 3.48Å; S317-E357 PolarHBondContact OG-OE1 3.25Å
318	S	97.6	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.			trans	-92.1	4	175.2	-62.9	0	0	0	0	113.9	P288 L320 Y321 L322 E357	P288-S318 WeakPolarHBondContact CG-OG 3.4Å; S318-L320 VanDerWaalsContact C-N 3.32Å; S318-L320 PolarHBondContact O-N 3.45Å; S318-Y321 WeakPolarHBondContact O-CB 3.45Å; S318-Y321 PolarHBondContact O-N 3.13Å; S318-L322 PolarHBondContact O-N 2.86Å; S318-E357 WeakPolarHBondContact CB-OE2 3.3Å; S318-E357 PolarHBondContact N-OE1 2.77Å; S318-E357 PolarHBondContact N-OE2 3.44Å
319	Q	97.9	Very high	96	Very high	11 Å²	11	15.8 Å²	15.8	5%	0.051	9%	0.091	C	C	.	.	H	α-helix	trans	-46.2	-50.9	-175.6	-176.5	-167.8	-66.6	0	0	113.1	S317 Y321 L322 E323 R496	S317-Q319 VanDerWaalsContact OG-CB 3.29Å; S317-Q319 WeakPolarHBondContact OG-CB 3.28Å; S317-Q319 PolarHBondContact OG-N 3.35Å; S317-Q319 VanDerWaalsContact OG-N 3.09Å; Q319-Y321 PolarHBondContact O-N 3.02Å; Q319-L322 WeakPolarHBondContact O-CA 3.41Å; Q319-L322 WeakPolarHBondContact O-CB 3.42Å; Q319-L322 PolarHBondContact O-N 3.23Å; Q319-E323 PolarHBondContact NE2-OE1 2.85Å; Q319-E323 PolarHBondContact O-N 3.39Å; Q319-R496 VanDerWaalsContact CD-NH1 3.32Å
320	L	97	Very high	96.4	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-35.3	-176	-52.4	-173.7	0	0	0	112.2	V296 S318 Y517 W519 F520	V296-L320 HydrophobicContact CG1-CG 4.3Å; V296-L320 HydrophobicContact CG2-CD1 3.84Å; V296-L320 HydrophobicContact CG2-CG 4.03Å; S318-L320 VanDerWaalsContact C-N 3.32Å; S318-L320 PolarHBondContact O-N 3.45Å; L320-Y517 HydrophobicContact CD1-CD1 4.11Å; L320-Y517 HydrophobicContact CD1-CE1 3.78Å; L320-W519 HydrophobicContact CB-CH2 3.63Å; L320-W519 HydrophobicContact CB-CZ3 3.75Å; L320-W519 HydrophobicContact CD1-CH2 4.15Å; L320-F520 HydrophobicContact CB-CD2 4.08Å; L320-F520 HydrophobicContact CB-CE2 4.21Å; L320-F520 HydrophobicContact CD2-CD2 4.02Å; L320-F520 HydrophobicContact CD2-CE1 4.35Å; L320-F520 HydrophobicContact CD2-CE2 3.46Å; L320-F520 VanDerWaalsContact CD2-CE2 3.46Å; L320-F520 HydrophobicContact CD2-CZ 3.67Å; L320-F520 HydrophobicContact CG-CE2 4.36Å
321	Y	98	Very high	96.7	Very high	5 Å²	5	9 Å²	9	2%	0.02	4%	0.042	C	C	.	.	H	α-helix	trans	-75.2	-29	174.9	-64.8	-71.8	0	0	0	112.8	P288 P289 V292 S318 Q319 T324 C325 W519 Y1101 R1103 P1110	P288-Y321 HydrophobicContact CB-CD2 4.41Å; P288-Y321 HydrophobicContact CB-CG 4.38Å; P289-Y321 HydrophobicContact CG-CD1 4.11Å; P289-Y321 HydrophobicContact CG-CD2 4.15Å; P289-Y321 HydrophobicContact CG-CE1 3.68Å; P289-Y321 HydrophobicContact CG-CE2 3.78Å; P289-Y321 HydrophobicContact CG-CG 4.32Å; V292-Y321 HydrophobicContact CG1-CE2 3.71Å; S318-Y321 WeakPolarHBondContact O-CB 3.45Å; S318-Y321 PolarHBondContact O-N 3.13Å; Q319-Y321 PolarHBondContact O-N 3.02Å; Y321-T324 PolarHBondContact O-OG1 2.85Å; Y321-C325 PolarHBondContact O-SG 3.02Å; Y321-W519 HydrophobicContact CD1-CH2 4.41Å; Y321-W519 HydrophobicContact CD1-CZ3 4.36Å; Y321-W519 HydrophobicContact CE1-CH2 4.24Å; Y321-Y1101 AromaticContact CD1-CD2 3.46Å; Y321-Y1101 HydrophobicContact CD1-CD2 3.46Å; Y321-Y1101 VanDerWaalsContact CD1-CD2 3.46Å; Y321-Y1101 AromaticContact CD1-CE2 3.46Å; Y321-Y1101 HydrophobicContact CD1-CE2 3.46Å; Y321-Y1101 VanDerWaalsContact CD1-CE2 3.46Å; Y321-Y1101 HydrophobicContact CD1-CG 4.44Å; Y321-Y1101 AromaticContact CE1-CD2 3.91Å; Y321-Y1101 HydrophobicContact CE1-CD2 3.91Å; Y321-Y1101 HydrophobicContact CE1-CE2 4.21Å; Y321-Y1101 HydrophobicContact CG-CD2 4.35Å; Y321-Y1101 HydrophobicContact CG-CE2 4.33Å; Y321-R1103 PolarHBondContact OH-NH2 2.8Å; Y321-P1110 HydrophobicContact CE1-CG 3.94Å
322	L	98.5	Very high	97	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-67.8	-39.1	172.2	-62.4	-175.4	0	0	0	111.2	V286 S318 Q319 T324 C325 V332 C334 E357 E359	V286-L322 HydrophobicContact CG2-CD2 3.3Å; S318-L322 PolarHBondContact O-N 2.86Å; Q319-L322 WeakPolarHBondContact O-CA 3.41Å; Q319-L322 WeakPolarHBondContact O-CB 3.42Å; Q319-L322 PolarHBondContact O-N 3.23Å; L322-T324 VanDerWaalsContact C-N 3.26Å; L322-T324 PolarHBondContact O-N 3.33Å; L322-C325 WeakPolarHBondContact O-CB 3.45Å; L322-C325 PolarHBondContact O-N 2.81Å; L322-V332 HydrophobicContact CB-CG2 4.11Å; L322-V332 HydrophobicContact CD2-CG2 4.25Å; L322-C334 HydrophobicContact CD2-CB 4.22Å; L322-E357 HydrophobicContact CD1-CB 3.68Å; L322-E359 HydrophobicContact CB-CB 3.76Å; L322-E359 HydrophobicContact CD1-CB 4.49Å
323	E	98.4	Very high	97.2	Very high	3 Å²	3	5.1 Å²	5.1	1%	0.014	2%	0.023	C	C	.	.	H	α-helix	trans	-59.6	-34.5	177.5	-70.5	-179.3	-127.5	0	0	112.5	Q319 C325 L326 E359 F520 R524 H531	Q319-E323 PolarHBondContact NE2-OE1 2.85Å; Q319-E323 PolarHBondContact O-N 3.39Å; E323-C325 PolarHBondContact O-N 2.8Å; E323-L326 WeakPolarHBondContact O-CG 3.23Å; E323-L326 PolarHBondContact O-N 2.77Å; E323-E359 HydrophobicContact CG-CG 3.81Å; E323-F520 HydrophobicContact CB-CE2 4.33Å; E323-F520 VanDerWaalsContact CD-CE2 3.43Å; E323-F520 HydrophobicContact CG-CE2 4.46Å; E323-F520 WeakPolarHBondContact OE2-CE2 3.45Å; E323-F520 WeakPolarHBondContact OE2-CZ 3.29Å; E323-R524 IonicContact OE2-CZ 2.88Å; E323-R524 VanDerWaalsContact OE2-CZ 3.27Å; E323-R524 IonicContact OE2-NH1 2.89Å; E323-R524 PolarHBondContact OE2-NH1 2.85Å; E323-R524 IonicContact OE2-NH2 2.84Å; E323-R524 PolarHBondContact OE2-NH2 3.46Å; E323-H531 IonicContact OE2-CD2 3.66Å; E323-H531 IonicContact OE2-NE2 3.56Å; E323-H531 PolarHBondContact OE2-NE2 3.07Å; E323-H531 VanDerWaalsContact OE2-NE2 3.07Å
324	T	98	Very high	97.4	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.8	176.7	70	0	0	0	0	113.7	Y321 L322 P327 W519 Q523 H796 Y1101	Y321-T324 PolarHBondContact O-OG1 2.85Å; L322-T324 VanDerWaalsContact C-N 3.26Å; L322-T324 PolarHBondContact O-N 3.33Å; T324-P327 WeakPolarHBondContact O-CD 3.29Å; T324-W519 HydrophobicContact CG2-CE3 3.71Å; T324-W519 HydrophobicContact CG2-CZ3 4.08Å; T324-Q523 HydrophobicContact CG2-CG 4.18Å; T324-H796 HydrophobicContact CG2-CB 4.34Å; T324-Y1101 VanDerWaalsContact CB-OH 3.29Å; T324-Y1101 WeakPolarHBondContact CB-OH 3.49Å; T324-Y1101 PolarHBondContact OG1-OH 2.84Å
325	C	98.3	Very high	97.5	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-20.3	-179.1	-63.2	0	0	0	0	112.8	Y321 L322 E323 P327 S328 L329 V332	Y321-C325 PolarHBondContact O-SG 3.02Å; L322-C325 WeakPolarHBondContact O-CB 3.45Å; L322-C325 PolarHBondContact O-N 2.81Å; E323-C325 PolarHBondContact O-N 2.8Å; C325-P327 VanDerWaalsContact C-CD 3.49Å; C325-S328 PolarHBondContact O-N 2.85Å; C325-S328 VanDerWaalsContact O-N 3.11Å; C325-S328 PolarHBondContact O-OG 2.85Å; C325-S328 VanDerWaalsContact O-OG 3.05Å; C325-L329 HydrophobicContact CB-CD1 4.32Å; C325-L329 PolarHBondContact O-N 2.83Å; C325-V332 HydrophobicContact CB-CG1 3.95Å; C325-V332 HydrophobicContact CB-CG2 4.11Å
326	L	98.4	Very high	97.6	Very high	4 Å²	4	4.3 Å²	4.3	2%	0.021	2%	0.024	C	C	.	.	H	α-helix	trans	-53.1	-45.9	-176.9	-55.8	174.6	0	0	0	113	E323 S328 G330 V332 E359 P361 H531 W695	E323-L326 WeakPolarHBondContact O-CG 3.23Å; E323-L326 PolarHBondContact O-N 2.77Å; L326-S328 PolarHBondContact O-N 2.86Å; L326-G330 WeakPolarHBondContact CD2-O 3.05Å; L326-G330 WeakPolarHBondContact O-CA 3.39Å; L326-G330 PolarHBondContact O-N 2.95Å; L326-V332 HydrophobicContact CD2-CG2 4.19Å; L326-E359 HydrophobicContact CD1-CG 3.95Å; L326-E359 HydrophobicContact CD2-CB 3.95Å; L326-E359 HydrophobicContact CD2-CG 3.95Å; L326-E359 WeakPolarHBondContact CD2-O 3.46Å; L326-E359 HydrophobicContact CG-CG 4.29Å; L326-P361 HydrophobicContact CB-CB 4.12Å; L326-P361 HydrophobicContact CB-CG 4.3Å; L326-P361 HydrophobicContact CD1-CB 4.42Å; L326-P361 HydrophobicContact CD2-CB 4.45Å; L326-P361 HydrophobicContact CD2-CG 4.29Å; L326-H531 HydrophobicContact CD1-CB 3.87Å; L326-W695 HydrophobicContact CB-CH2 4.35Å; L326-W695 WeakPolarHBondContact O-CH2 2.83Å; L326-W695 WeakPolarHBondContact O-CZ3 3.45Å
327	P	97.3	Very high	97.8	Very high	6 Å²	6	5.5 Å²	5.5	4%	0.039	3%	0.03	C	C	.	.	H	α-helix	trans	-69.4	-16.6	-176.7	-20.6	36.3	0	0	0	114.3	T324 C325 W695 R712 R800	T324-P327 WeakPolarHBondContact O-CD 3.29Å; C325-P327 VanDerWaalsContact C-CD 3.49Å; P327-W695 HydrophobicContact CB-CD2 3.97Å; P327-W695 HydrophobicContact CB-CE3 4.37Å; P327-W695 HydrophobicContact CB-CG 4.39Å; P327-W695 HydrophobicContact CB-CH2 4.41Å; P327-W695 HydrophobicContact CB-CZ2 4.01Å; P327-W695 HydrophobicContact CG-CZ2 3.95Å; P327-R712 PolarHBondContact O-NE 3.41Å; P327-R712 PolarHBondContact O-NH2 2.98Å; P327-R800 HydrophobicContact CB-CG 4.27Å
328	S	96	Very high	97.8	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.014	3%	0.029	C	C	.	.	H	α-helix	trans	-111.2	-31.7	-174.5	62.2	0	0	0	0	113.9	C325 L326 L799 S805	C325-S328 PolarHBondContact O-N 2.85Å; C325-S328 VanDerWaalsContact O-N 3.11Å; C325-S328 PolarHBondContact O-OG 2.85Å; C325-S328 VanDerWaalsContact O-OG 3.05Å; L326-S328 PolarHBondContact O-N 2.86Å; S328-L799 WeakPolarHBondContact CB-O 3.38Å; S328-S805 PolarHBondContact O-OG 3.22Å
329	L	97.3	Very high	97.7	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-120.6	-13.7	-174.1	-61	178.5	0	0	0	113.4	Y284 V286 C325 V332 G714 M808 K809	Y284-L329 HydrophobicContact CD2-CB 4.39Å; Y284-L329 VanDerWaalsContact CD2-O 3.29Å; Y284-L329 WeakPolarHBondContact CD2-O 3.49Å; V286-L329 HydrophobicContact CG1-CD1 3.55Å; C325-L329 HydrophobicContact CB-CD1 4.32Å; C325-L329 PolarHBondContact O-N 2.83Å; L329-V332 HydrophobicContact CB-CG1 3.58Å; L329-V332 HydrophobicContact CD1-CG1 4.27Å; L329-G714 VanDerWaalsContact C-CA 3.48Å; L329-M808 HydrophobicContact CD1-CB 3.97Å; L329-M808 HydrophobicContact CD2-CB 4.11Å; L329-K809 HydrophobicContact CD2-CG 3.79Å
330	G	97.5	Very high	97.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	81.8	-127.8	178.4	0	0	0	0	0	111.5	L326 V332 D713	L326-G330 WeakPolarHBondContact CD2-O 3.05Å; L326-G330 WeakPolarHBondContact O-CA 3.39Å; L326-G330 PolarHBondContact O-N 2.95Å; G330-V332 PolarHBondContact O-N 3.49Å; G330-D713 WeakPolarHBondContact CA-O 3.43Å
331	D	98.3	Very high	96.9	Very high	9 Å²	9	8.1 Å²	8.1	5%	0.048	4%	0.042	C	C	.	.	S	Bend	trans	-71.8	123.4	174.9	-60.1	-73.9	0	0	0	109.4	Y283 Y284 P361 R371 K678	Y283-D331 VanDerWaalsContact CA-O 3.24Å; Y283-D331 WeakPolarHBondContact CA-O 3.41Å; Y283-D331 HydrophobicContact CD1-CB 3.7Å; Y283-D331 HydrophobicContact CD2-CB 3.93Å; Y283-D331 HydrophobicContact CE1-CB 3.75Å; Y283-D331 HydrophobicContact CE2-CB 3.95Å; Y283-D331 HydrophobicContact CG-CB 3.8Å; Y284-D331 PolarHBondContact N-O 3.49Å; D331-P361 WeakPolarHBondContact OD1-CD 3.43Å; D331-R371 IonicContact OD1-CZ 3.97Å; D331-R371 IonicContact OD1-NH1 3.55Å; D331-R371 PolarHBondContact OD1-NH1 2.83Å; D331-R371 IonicContact OD1-NH2 3.82Å; D331-K678 IonicContact OD1-NZ 2.69Å; D331-K678 VanDerWaalsContact OD2-CE 3.3Å; D331-K678 WeakPolarHBondContact OD2-CE 3.36Å; D331-K678 IonicContact OD2-NZ 3.66Å; D331-K678 PolarHBondContact OD2-NZ 3.37Å
332	V	98.6	Very high	96	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.3	-175.8	-65.6	0	0	0	0	111.8	Y284 V286 L322 C325 L326 L329 G330 A358 E359	Y284-V332 WeakPolarHBondContact O-CA 3.48Å; V286-V332 HydrophobicContact CG1-CB 4.48Å; V286-V332 HydrophobicContact CG1-CG1 4.28Å; V286-V332 HydrophobicContact CG2-CB 4.46Å; L322-V332 HydrophobicContact CB-CG2 4.11Å; L322-V332 HydrophobicContact CD2-CG2 4.25Å; C325-V332 HydrophobicContact CB-CG1 3.95Å; C325-V332 HydrophobicContact CB-CG2 4.11Å; L326-V332 HydrophobicContact CD2-CG2 4.19Å; L329-V332 HydrophobicContact CB-CG1 3.58Å; L329-V332 HydrophobicContact CD1-CG1 4.27Å; G330-V332 PolarHBondContact O-N 3.49Å; V332-A358 VanDerWaalsContact O-CA 3.31Å; V332-A358 WeakPolarHBondContact O-CA 3.43Å; V332-E359 HydrophobicContact CG2-CB 4.3Å; V332-E359 PolarHBondContact N-O 3.04Å; V332-E359 VanDerWaalsContact N-O 3.1Å; V332-E359 PolarHBondContact O-N 3.03Å
333	Y	98.7	Very high	94.7	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.7	172.1	80.7	-72.9	0	0	0	111.4	R275 Y278 Y284 E285 V286 I335 E357	R275-Y333 HydrophobicContact CG-CE2 4.07Å; R275-Y333 WeakPolarHBondContact CG-OH 3.37Å; Y278-Y333 HydrophobicContact CD1-CD1 4.26Å; Y278-Y333 HydrophobicContact CD1-CG 4.03Å; Y278-Y333 HydrophobicContact CD2-CD1 4.12Å; Y278-Y333 AromaticContact CD2-CD2 3.25Å; Y278-Y333 HydrophobicContact CD2-CD2 3.25Å; Y278-Y333 HydrophobicContact CD2-CE1 4.33Å; Y278-Y333 AromaticContact CD2-CE2 3.52Å; Y278-Y333 HydrophobicContact CD2-CE2 3.52Å; Y278-Y333 AromaticContact CD2-CG 3.57Å; Y278-Y333 HydrophobicContact CD2-CG 3.57Å; Y278-Y333 HydrophobicContact CE1-CG 4.37Å; Y278-Y333 AromaticContact CE2-CD2 3.58Å; Y278-Y333 HydrophobicContact CE2-CD2 3.58Å; Y278-Y333 HydrophobicContact CE2-CE2 4.21Å; Y278-Y333 AromaticContact CE2-CG 3.94Å; Y278-Y333 HydrophobicContact CE2-CG 3.94Å; Y278-Y333 AromaticContact CG-CD1 3.78Å; Y278-Y333 HydrophobicContact CG-CD1 3.78Å; Y278-Y333 AromaticContact CG-CD2 3.81Å; Y278-Y333 HydrophobicContact CG-CD2 3.81Å; Y278-Y333 HydrophobicContact CG-CE1 4.07Å; Y278-Y333 HydrophobicContact CG-CE2 4.1Å; Y278-Y333 AromaticContact CG-CG 3.62Å; Y278-Y333 HydrophobicContact CG-CG 3.62Å; Y284-Y333 WeakPolarHBondContact O-CD1 3.43Å; Y284-Y333 PolarHBondContact O-N 3.15Å; E285-Y333 WeakPolarHBondContact CA-O 3.41Å; E285-Y333 HydrophobicContact CB-CD1 4.32Å; E285-Y333 HydrophobicContact CB-CE1 3.58Å; E285-Y333 HydrophobicContact CB-CE2 4.34Å; E285-Y333 HydrophobicContact CG-CE1 4.2Å; E285-Y333 HydrophobicContact CG-CE2 4.06Å; E285-Y333 PolarHBondContact OE2-OH 3.49Å; V286-Y333 PolarHBondContact N-O 2.94Å; Y333-I335 HydrophobicContact CD2-CG1 4.28Å; Y333-I335 HydrophobicContact CE2-CD1 4.36Å; Y333-I335 HydrophobicContact CE2-CG1 4.19Å; Y333-E357 CarbonylContact C-O 3.56Å; Y333-E357 WeakPolarHBondContact CA-O 3.33Å; Y333-E357 WeakPolarHBondContact CB-O 3.47Å
334	C	98.6	Very high	93.4	Very high	1 Å²	1	20 Å²	20	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.9	166.4	64.5	0	0	0	0	110.9	V286 P288 L322 E357	V286-C334 HydrophobicContact CG2-CB 4.37Å; V286-C334 VanDerWaalsContact O-CB 3.26Å; V286-C334 WeakPolarHBondContact O-CB 3.35Å; P288-C334 HydrophobicContact CG-CB 4.07Å; L322-C334 HydrophobicContact CD2-CB 4.22Å; C334-E357 PolarHBondContact N-O 2.92Å; C334-E357 PolarHBondContact O-N 2.62Å
335	I	98.4	Very high	92.2	Very high	24 Å²	24	24.4 Å²	24.4	12%	0.123	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	97.1	165.2	-57.3	-174.4	0	0	0	105.6	L271 F274 R275 Y333 T354 H355 V356	L271-I335 HydrophobicContact CD2-CD1 4.3Å; L271-I335 HydrophobicContact CD2-CG2 3.79Å; F274-I335 HydrophobicContact CB-CD1 4.23Å; R275-I335 HydrophobicContact CG-CD1 3.77Å; Y333-I335 HydrophobicContact CD2-CG1 4.28Å; Y333-I335 HydrophobicContact CE2-CD1 4.36Å; Y333-I335 HydrophobicContact CE2-CG1 4.19Å; I335-T354 HydrophobicContact CG2-CG2 3.49Å; I335-T354 VanDerWaalsContact CG2-CG2 3.49Å; I335-H355 WeakPolarHBondContact CA-O 3.16Å; I335-V356 HydrophobicContact CD1-CG2 4.31Å; I335-V356 HydrophobicContact CG1-CG1 4.25Å; I335-V356 HydrophobicContact CG1-CG2 4.13Å; I335-V356 HydrophobicContact CG2-CG2 4.26Å
336	A	97.6	Very high	91.3	Very high	14 Å²	14	26 Å²	26	12%	0.116	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	165.2	-171.9	0	0	0	0	0	110.8	H355	A336-H355 PolarHBondContact N-O 3.23Å; A336-H355 VanDerWaalsContact N-O 3.12Å; A336-H355 PolarHBondContact O-N 3.11Å
337	M	97.5	Very high	90.4	Very high	28 Å²	28	29.7 Å²	29.7	14%	0.138	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140	172.2	-62.1	-51.2	93.5	0	0	109.5	Y339 E352 Y353 T354 T831 T834	M337-Y339 HydrophobicContact CB-CE1 4.31Å; M337-Y339 HydrophobicContact CB-CE2 4.03Å; M337-E352 HydrophobicContact SD-CG 4.47Å; M337-Y353 WeakPolarHBondContact CA-O 3.47Å; M337-T354 HydrophobicContact CE-CG2 3.75Å; M337-T354 WeakPolarHBondContact CE-OG1 3.46Å; M337-T831 HydrophobicContact CE-CG2 3.69Å; M337-T831 HydrophobicContact SD-CG2 3.82Å; M337-T834 HydrophobicContact CG-CG2 4.27Å
338	S	96.6	Very high	89.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.5	166.1	-71.8	0	0	0	0	109.2	Q316 Y353 H355	Q316-S338 WeakPolarHBondContact O-CB 3.43Å; Q316-S338 PolarHBondContact O-OG 3.15Å; S338-Y353 VanDerWaalsContact CB-CZ 3.47Å; S338-Y353 WeakPolarHBondContact CB-OH 3.42Å; S338-Y353 PolarHBondContact N-O 3.37Å; S338-Y353 WeakPolarHBondContact O-CD1 3.47Å; S338-Y353 PolarHBondContact O-N 2.85Å; S338-Y353 VanDerWaalsContact O-N 3.1Å; S338-H355 WeakPolarHBondContact OG-CB 3.48Å; S338-H355 PolarHBondContact OG-ND1 2.94Å
339	Y	95.4	Very high	89.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.7	-171.9	-48.3	-95.2	0	0	0	109.9	L314 T315 M337 S351 E352 T834 M835 Y883	L314-Y339 HydrophobicContact CB-CD1 4.44Å; L314-Y339 HydrophobicContact CB-CD2 3.56Å; L314-Y339 HydrophobicContact CB-CE2 4.19Å; L314-Y339 HydrophobicContact CB-CG 3.68Å; L314-Y339 HydrophobicContact CD1-CD1 3.85Å; L314-Y339 HydrophobicContact CD1-CD2 4.37Å; L314-Y339 HydrophobicContact CD1-CE1 4.19Å; L314-Y339 HydrophobicContact CD1-CG 3.93Å; L314-Y339 HydrophobicContact CG-CD2 4.43Å; L314-Y339 HydrophobicContact CG-CG 4.41Å; T315-Y339 HydrophobicContact CG2-CD2 4.37Å; T315-Y339 HydrophobicContact CG2-CE2 4.46Å; T315-Y339 WeakPolarHBondContact O-CD2 3.35Å; T315-Y339 PolarHBondContact O-N 3.03Å; M337-Y339 HydrophobicContact CB-CE1 4.31Å; M337-Y339 HydrophobicContact CB-CE2 4.03Å; Y339-S351 CarbonylContact C-O 3.56Å; Y339-S351 VanDerWaalsContact CA-O 3.23Å; Y339-S351 WeakPolarHBondContact CA-O 3.44Å; Y339-E352 HydrophobicContact CD1-CB 4.08Å; Y339-E352 HydrophobicContact CD1-CG 4.26Å; Y339-E352 HydrophobicContact CE1-CB 4.35Å; Y339-E352 HydrophobicContact CE1-CG 4.06Å; Y339-T834 VanDerWaalsContact CE1-OG1 3.3Å; Y339-T834 WeakPolarHBondContact CE1-OG1 3.41Å; Y339-T834 PolarHBondContact OH-OG1 2.76Å; Y339-M835 HydrophobicContact CD1-CE 4.49Å; Y339-M835 HydrophobicContact CD1-CG 4.26Å; Y339-M835 HydrophobicContact CD1-SD 3.98Å; Y339-M835 HydrophobicContact CE1-CG 4.15Å; Y339-M835 HydrophobicContact CE1-SD 4.47Å; Y339-Y883 PolarHBondContact OH-OH 2.88Å
340	R	90.9	Very high	88.9	Confident	57 Å²	57	32.6 Å²	32.6	22%	0.215	16%	0.155	C	C	.	.			trans	-135.9	115.1	178.8	-63.3	-177.4	-176.5	-164.6	-1.9	109.7	T301 E342 S351 Y353	T301-R340 CarbonylContact O-C 3.56Å; T301-R340 WeakPolarHBondContact O-CA 3.38Å; R340-E342 HydrophobicContact CB-CG 4.05Å; R340-E342 WeakPolarHBondContact CD-OE1 3.43Å; R340-E342 IonicContact NH1-OE1 3.41Å; R340-E342 PolarHBondContact O-N 2.85Å; R340-S351 PolarHBondContact N-O 2.83Å; R340-S351 WeakPolarHBondContact O-CA 3.43Å; R340-Y353 HydrophobicContact CG-CE1 4.07Å; R340-Y353 PolarHBondContact NE-OH 3.01Å; R340-Y353 PolarHBondContact NH2-OH 2.74Å; R340-Y353 VanDerWaalsContact NH2-OH 3.15Å
341	A	86.7	Confident	88.7	Confident	13 Å²	13	32.7 Å²	32.7	11%	0.107	16%	0.156	C	C	.	.			trans	-75.5	51.2	176.1	0	0	0	0	0	111.8	T301 F303 K343 Y852	T301-A341 PolarHBondContact O-N 2.66Å; F303-A341 HydrophobicContact CD1-CB 4.11Å; F303-A341 HydrophobicContact CD2-CB 3.99Å; F303-A341 HydrophobicContact CE1-CB 3.96Å; F303-A341 HydrophobicContact CE2-CB 3.86Å; F303-A341 HydrophobicContact CG-CB 4.13Å; F303-A341 HydrophobicContact CZ-CB 3.85Å; A341-K343 PolarHBondContact O-N 2.75Å; A341-Y852 VanDerWaalsContact CA-OH 3.31Å; A341-Y852 WeakPolarHBondContact CA-OH 3.44Å; A341-Y852 HydrophobicContact CB-CE1 4.39Å
342	E	78.3	Confident	88.5	Confident	33 Å²	33	32.5 Å²	32.5	15%	0.154	16%	0.155	C	C	.	.			trans	-71.3	125.7	179.6	-73.2	179.3	-154.7	0	0	110.9	T301 R340 S344 H349 V561 Y852	T301-E342 HydrophobicContact CG2-CG 4.04Å; R340-E342 HydrophobicContact CB-CG 4.05Å; R340-E342 WeakPolarHBondContact CD-OE1 3.43Å; R340-E342 IonicContact NH1-OE1 3.41Å; R340-E342 PolarHBondContact O-N 2.85Å; E342-S344 PolarHBondContact O-N 3.05Å; E342-H349 IonicContact OE1-CD2 3.06Å; E342-H349 PolarHBondContact OE1-CD2 2.87Å; E342-H349 VanDerWaalsContact OE1-CD2 3.28Å; E342-H349 WeakPolarHBondContact OE2-CB 3.38Å; E342-H349 IonicContact OE2-CD2 3.79Å; E342-H349 PolarHBondContact OE2-CD2 2.93Å; E342-H349 IonicContact OE2-CG 3.63Å; E342-H349 IonicContact OE2-ND1 2.93Å; E342-H349 IonicContact OE2-NE2 3.72Å; E342-V561 WeakPolarHBondContact O-CG2 3.23Å; E342-Y852 PolarHBondContact N-OH 3.1Å; E342-Y852 PolarHBondContact O-OH 3.3Å
343	K	72.8	Confident	88.4	Confident	157 Å²	157	33.6 Å²	33.6	68%	0.683	16%	0.159	S	C	*	.	S	Bend	trans	-79.2	1.2	-175.8	-62.5	-176.7	-179.3	179.2	0	114.7	A341	A341-K343 PolarHBondContact O-N 2.75Å
344	S	69	Low	88.4	Confident	69 Å²	69	33.6 Å²	33.6	48%	0.483	16%	0.159	S	C	.	.	S	Bend	trans	-121.4	131.6	-175.3	61.2	0	0	0	0	112.5	E342	E342-S344 PolarHBondContact O-N 3.05Å
345	R	74.1	Confident	88.4	Confident	91 Å²	91	34.2 Å²	34.2	34%	0.343	16%	0.162	S	C	.	.			trans	-80.9	121	171.7	-169.6	177.8	-173.9	-178.6	7.5	109.7	D245 F560	D245-R345 IonicContact OD1-CZ 3Å; D245-R345 IonicContact OD1-NH1 3.9Å; D245-R345 PolarHBondContact OD1-NH1 3.32Å; D245-R345 IonicContact OD1-NH2 2.8Å; D245-R345 PolarHBondContact OD1-NH2 3.3Å; R345-F560 HydrophobicContact CG-CD2 4.28Å; R345-F560 VanDerWaalsContact CZ-CE2 3.49Å
346	T	78.2	Confident	88.4	Confident	33 Å²	33	33 Å²	33	20%	0.202	16%	0.156	C	C	.	.			trans	-132.5	174.4	177	72.9	0	0	0	0	111	R348 H349	T346-R348 VanDerWaalsContact C-N 3.27Å; T346-R348 PolarHBondContact O-N 3.05Å; T346-R348 PolarHBondContact OG1-N 3.05Å; T346-H349 VanDerWaalsContact OG1-CB 3.23Å; T346-H349 WeakPolarHBondContact OG1-CB 3.27Å; T346-H349 VanDerWaalsContact OG1-CG 3.27Å; T346-H349 PolarHBondContact OG1-N 3.35Å; T346-H349 VanDerWaalsContact OG1-N 3.12Å; T346-H349 PolarHBondContact OG1-ND1 2.94Å
347	R	80.2	Confident	88.4	Confident	82 Å²	82	32.6 Å²	32.6	31%	0.309	15%	0.151	S	C	.	.	S	Bend	trans	-75.4	-11.5	179.1	-65	180	-62.6	-178	3	114.1	E439 Y549 I551	R347-E439 IonicContact NH2-OE1 3.12Å; R347-Y549 VanDerWaalsContact NH1-CZ 3.32Å; R347-Y549 PolarHBondContact NH1-OH 3.08Å; R347-I551 VanDerWaalsContact O-CB 3.26Å; R347-I551 WeakPolarHBondContact O-CB 3.46Å; R347-I551 VanDerWaalsContact O-CG2 3.27Å; R347-I551 WeakPolarHBondContact O-CG2 3.49Å; R347-I551 PolarHBondContact O-N 3.18Å; R347-I551 VanDerWaalsContact O-N 3.08Å
348	R	83	Confident	88.5	Confident	25 Å²	25	31.3 Å²	31.3	9%	0.094	15%	0.145	C	C	.	.	S	Bend	trans	-128.7	0	-172.6	73	178.1	-179.7	171.6	6.3	115.5	T346 E439 E442 R540 I551	T346-R348 VanDerWaalsContact C-N 3.27Å; T346-R348 PolarHBondContact O-N 3.05Å; T346-R348 PolarHBondContact OG1-N 3.05Å; R348-E439 WeakPolarHBondContact CD-OE2 3.32Å; R348-E439 WeakPolarHBondContact CG-OE2 3.24Å; R348-E439 IonicContact CZ-OE2 3.8Å; R348-E439 IonicContact NE-OE2 3.21Å; R348-E439 PolarHBondContact NE-OE2 2.53Å; R348-E439 VanDerWaalsContact NE-OE2 3.14Å; R348-E442 IonicContact NH1-OE1 2.75Å; R348-E442 PolarHBondContact NH1-OE1 3.28Å; R348-R540 PolarHBondContact O-NE 3.09Å; R348-R540 PolarHBondContact O-NH2 3.46Å; R348-I551 WeakPolarHBondContact O-CD1 3.33Å
349	H	85.3	Confident	88.6	Confident	38 Å²	38	31.4 Å²	31.4	18%	0.176	15%	0.145	C	C	.	.			trans	-112.5	144.3	-178.8	-61.4	103.1	0	0	0	111.6	E342 T346 R540	E342-H349 IonicContact OE1-CD2 3.06Å; E342-H349 PolarHBondContact OE1-CD2 2.87Å; E342-H349 VanDerWaalsContact OE1-CD2 3.28Å; E342-H349 WeakPolarHBondContact OE2-CB 3.38Å; E342-H349 IonicContact OE2-CD2 3.79Å; E342-H349 PolarHBondContact OE2-CD2 2.93Å; E342-H349 IonicContact OE2-CG 3.63Å; E342-H349 IonicContact OE2-ND1 2.93Å; E342-H349 IonicContact OE2-NE2 3.72Å; T346-H349 VanDerWaalsContact OG1-CB 3.23Å; T346-H349 WeakPolarHBondContact OG1-CB 3.27Å; T346-H349 VanDerWaalsContact OG1-CG 3.27Å; T346-H349 PolarHBondContact OG1-N 3.35Å; T346-H349 VanDerWaalsContact OG1-N 3.12Å; T346-H349 PolarHBondContact OG1-ND1 2.94Å; H349-R540 PolarHBondContact CD2-NH2 3.22Å; H349-R540 PolarHBondContact NE2-NH2 3.06Å
350	L	91.3	Very high	88.7	Confident	8 Å²	8	31.4 Å²	31.4	4%	0.042	15%	0.145	C	C	.	.			trans	-138.7	148.1	177.3	-68.3	170.1	0	0	0	107.4	E352 E539 I551 I555 P558 R559	L350-E352 VanDerWaalsContact C-N 3.27Å; L350-E352 WeakPolarHBondContact CB-O 3.06Å; L350-E539 HydrophobicContact CD1-CB 4.16Å; L350-E539 HydrophobicContact CD1-CG 3.84Å; L350-I551 HydrophobicContact CD1-CD1 4.07Å; L350-I551 HydrophobicContact CD1-CG1 4.08Å; L350-I551 HydrophobicContact CD2-CG2 4.12Å; L350-I551 HydrophobicContact CG-CD1 4.27Å; L350-I551 HydrophobicContact CG-CG1 4.44Å; L350-I551 HydrophobicContact CG-CG2 4.05Å; L350-I555 HydrophobicContact CD1-CD1 4Å; L350-I555 HydrophobicContact CD1-CG2 4.33Å; L350-P558 HydrophobicContact CD2-CB 3.99Å; L350-R559 CarbonylContact C-O 3.56Å; L350-R559 WeakPolarHBondContact CA-O 3.37Å
351	S	93	Very high	89.1	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-71.2	-25.8	174.4	-55.7	0	0	0	0	112.8	Y339 R340 R559 F560 Y851 Y852	Y339-S351 CarbonylContact C-O 3.56Å; Y339-S351 VanDerWaalsContact CA-O 3.23Å; Y339-S351 WeakPolarHBondContact CA-O 3.44Å; R340-S351 PolarHBondContact N-O 2.83Å; R340-S351 WeakPolarHBondContact O-CA 3.43Å; S351-R559 PolarHBondContact N-O 3.01Å; S351-F560 WeakPolarHBondContact OG-CA 3.42Å; S351-Y851 PolarHBondContact OG-OH 2.84Å; S351-Y852 WeakPolarHBondContact OG-CE2 3.29Å; S351-Y852 PolarHBondContact OG-OH 3.48Å
352	E	94.9	Very high	89.6	Confident	5 Å²	5	29.4 Å²	29.4	2%	0.023	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126.1	175.5	166	-178.3	-155.5	0	0	107.8	M337 Y339 L350 R559 T834 M835	M337-E352 HydrophobicContact SD-CG 4.47Å; Y339-E352 HydrophobicContact CD1-CB 4.08Å; Y339-E352 HydrophobicContact CD1-CG 4.26Å; Y339-E352 HydrophobicContact CE1-CB 4.35Å; Y339-E352 HydrophobicContact CE1-CG 4.06Å; L350-E352 VanDerWaalsContact C-N 3.27Å; L350-E352 WeakPolarHBondContact CB-O 3.06Å; E352-R559 HydrophobicContact CB-CB 4.26Å; E352-R559 HydrophobicContact CB-CG 4.39Å; E352-T834 WeakPolarHBondContact OE1-CB 3.35Å; E352-T834 PolarHBondContact OE1-N 2.92Å; E352-T834 PolarHBondContact OE1-OG1 3.07Å; E352-T834 PolarHBondContact OE2-N 3.08Å; E352-M835 HydrophobicContact CB-CE 3.42Å; E352-M835 VanDerWaalsContact CB-CE 3.42Å; E352-M835 HydrophobicContact CG-CE 4.48Å
353	Y	96.1	Very high	90.5	Very high	22 Å²	22	28.1 Å²	28.1	9%	0.086	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.8	-178.9	70.1	-82.8	0	0	0	111.4	M337 S338 R340 H355	M337-Y353 WeakPolarHBondContact CA-O 3.47Å; S338-Y353 VanDerWaalsContact CB-CZ 3.47Å; S338-Y353 WeakPolarHBondContact CB-OH 3.42Å; S338-Y353 PolarHBondContact N-O 3.37Å; S338-Y353 WeakPolarHBondContact O-CD1 3.47Å; S338-Y353 PolarHBondContact O-N 2.85Å; S338-Y353 VanDerWaalsContact O-N 3.1Å; R340-Y353 HydrophobicContact CG-CE1 4.07Å; R340-Y353 PolarHBondContact NE-OH 3.01Å; R340-Y353 PolarHBondContact NH2-OH 2.74Å; R340-Y353 VanDerWaalsContact NH2-OH 3.15Å; Y353-H355 HydrophobicContact CD2-CB 4.23Å; Y353-H355 HydrophobicContact CE2-CB 3.66Å; Y353-H355 AromaticContact CE2-CD2 3.8Å; Y353-H355 AromaticContact CE2-CG 3.53Å; Y353-H355 AromaticContact CE2-ND1 3.94Å; Y353-H355 AromaticContact CZ-ND1 3.94Å; Y353-H355 PolarHBondContact O-N 3.42Å; Y353-H355 PolarHBondContact OH-CE1 3.48Å; Y353-H355 PolarHBondContact OH-ND1 2.94Å
354	T	98.1	Very high	91.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	112	177.5	-57.1	0	0	0	0	110	R267 L271 I335 M337 L538 E539	R267-T354 PolarHBondContact NH2-OG1 2.89Å; L271-T354 HydrophobicContact CD2-CG2 4.48Å; I335-T354 HydrophobicContact CG2-CG2 3.49Å; I335-T354 VanDerWaalsContact CG2-CG2 3.49Å; M337-T354 HydrophobicContact CE-CG2 3.75Å; M337-T354 WeakPolarHBondContact CE-OG1 3.46Å; T354-L538 HydrophobicContact CG2-CB 4.06Å; T354-L538 HydrophobicContact CG2-CD2 3.66Å; T354-L538 VanDerWaalsContact O-CB 3.31Å; T354-L538 WeakPolarHBondContact O-CB 3.19Å; T354-L538 PolarHBondContact O-N 3.08Å; T354-E539 WeakPolarHBondContact CB-OE1 3.3Å; T354-E539 PolarHBondContact N-OE1 2.72Å; T354-E539 PolarHBondContact N-OE2 2.71Å; T354-E539 PolarHBondContact OG1-OE1 2.73Å
355	H	97.9	Very high	93	Very high	14 Å²	14	22 Å²	22	7%	0.065	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.8	-177.4	-153	-179.4	0	0	0	109.8	I335 A336 S338 Y353 E357 G535 L536	I335-H355 WeakPolarHBondContact CA-O 3.16Å; A336-H355 PolarHBondContact N-O 3.23Å; A336-H355 VanDerWaalsContact N-O 3.12Å; A336-H355 PolarHBondContact O-N 3.11Å; S338-H355 WeakPolarHBondContact OG-CB 3.48Å; S338-H355 PolarHBondContact OG-ND1 2.94Å; Y353-H355 HydrophobicContact CD2-CB 4.23Å; Y353-H355 HydrophobicContact CE2-CB 3.66Å; Y353-H355 AromaticContact CE2-CD2 3.8Å; Y353-H355 AromaticContact CE2-CG 3.53Å; Y353-H355 AromaticContact CE2-ND1 3.94Å; Y353-H355 AromaticContact CZ-ND1 3.94Å; Y353-H355 PolarHBondContact O-N 3.42Å; Y353-H355 PolarHBondContact OH-CE1 3.48Å; Y353-H355 PolarHBondContact OH-ND1 2.94Å; H355-E357 HydrophobicContact CB-CG 4.33Å; H355-E357 VanDerWaalsContact CE1-CD 3.48Å; H355-E357 IonicContact CE1-OE1 2.76Å; H355-E357 PolarHBondContact CE1-OE1 2.94Å; H355-E357 VanDerWaalsContact CE1-OE1 3.3Å; H355-E357 IonicContact CG-OE2 3.28Å; H355-E357 VanDerWaalsContact ND1-CD 3.33Å; H355-E357 IonicContact ND1-OE1 4Å; H355-E357 IonicContact ND1-OE2 3.37Å; H355-G535 WeakPolarHBondContact NE2-CA 3.47Å; H355-L536 PolarHBondContact CD2-O 3.1Å
356	V	98.5	Very high	94.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	106.5	173.2	-179	0	0	0	0	107.2	F274 Y278 I335 G535 L536 L538	F274-V356 HydrophobicContact CD1-CG1 4.21Å; Y278-V356 HydrophobicContact CE2-CG1 3.88Å; I335-V356 HydrophobicContact CD1-CG2 4.31Å; I335-V356 HydrophobicContact CG1-CG1 4.25Å; I335-V356 HydrophobicContact CG1-CG2 4.13Å; I335-V356 HydrophobicContact CG2-CG2 4.26Å; V356-G535 WeakPolarHBondContact O-CA 3.36Å; V356-L536 HydrophobicContact CB-CB 4.24Å; V356-L536 HydrophobicContact CB-CD2 4.25Å; V356-L536 HydrophobicContact CG2-CD2 4.23Å; V356-L536 PolarHBondContact N-O 3.18Å; V356-L536 PolarHBondContact O-N 2.93Å; V356-L538 HydrophobicContact CG2-CB 4.37Å
357	E	98.7	Very high	95	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.3	-175.1	-62.9	-179.7	101.9	0	0	110.4	S317 S318 L322 Y333 C334 H355 Y534	S317-E357 WeakPolarHBondContact CB-OE1 3.48Å; S317-E357 PolarHBondContact OG-OE1 3.25Å; S318-E357 WeakPolarHBondContact CB-OE2 3.3Å; S318-E357 PolarHBondContact N-OE1 2.77Å; S318-E357 PolarHBondContact N-OE2 3.44Å; L322-E357 HydrophobicContact CD1-CB 3.68Å; Y333-E357 CarbonylContact C-O 3.56Å; Y333-E357 WeakPolarHBondContact CA-O 3.33Å; Y333-E357 WeakPolarHBondContact CB-O 3.47Å; C334-E357 PolarHBondContact N-O 2.92Å; C334-E357 PolarHBondContact O-N 2.62Å; H355-E357 HydrophobicContact CB-CG 4.33Å; H355-E357 VanDerWaalsContact CE1-CD 3.48Å; H355-E357 IonicContact CE1-OE1 2.76Å; H355-E357 PolarHBondContact CE1-OE1 2.94Å; H355-E357 VanDerWaalsContact CE1-OE1 3.3Å; H355-E357 IonicContact CG-OE2 3.28Å; H355-E357 VanDerWaalsContact ND1-CD 3.33Å; H355-E357 IonicContact ND1-OE1 4Å; H355-E357 IonicContact ND1-OE2 3.37Å; E357-Y534 WeakPolarHBondContact CA-O 3.45Å
358	A	98.8	Very high	95.9	Very high	1 Å²	1	20 Å²	20	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	145.3	176.6	0	0	0	0	0	111.7	Y278 Y283 V332 G533 Y534	Y278-A358 HydrophobicContact CE1-CB 3.64Å; Y278-A358 WeakPolarHBondContact OH-CB 3.28Å; Y283-A358 HydrophobicContact CE1-CB 4.21Å; V332-A358 VanDerWaalsContact O-CA 3.31Å; V332-A358 WeakPolarHBondContact O-CA 3.43Å; A358-G533 CarbonylContact O-C 3.53Å; A358-G533 WeakPolarHBondContact O-CA 3.4Å; A358-Y534 HydrophobicContact CB-CE1 4.16Å; A358-Y534 HydrophobicContact CB-CE2 4.18Å; A358-Y534 PolarHBondContact N-O 2.78Å; A358-Y534 PolarHBondContact O-N 2.58Å
359	E	98.8	Very high	96.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.7	-177.9	-157.1	71.2	-151.6	0	0	110	L322 E323 L326 V332 R496 H531 G532 G533	L322-E359 HydrophobicContact CB-CB 3.76Å; L322-E359 HydrophobicContact CD1-CB 4.49Å; E323-E359 HydrophobicContact CG-CG 3.81Å; L326-E359 HydrophobicContact CD1-CG 3.95Å; L326-E359 HydrophobicContact CD2-CB 3.95Å; L326-E359 HydrophobicContact CD2-CG 3.95Å; L326-E359 WeakPolarHBondContact CD2-O 3.46Å; L326-E359 HydrophobicContact CG-CG 4.29Å; V332-E359 HydrophobicContact CG2-CB 4.3Å; V332-E359 PolarHBondContact N-O 3.04Å; V332-E359 VanDerWaalsContact N-O 3.1Å; V332-E359 PolarHBondContact O-N 3.03Å; E359-R496 VanDerWaalsContact OE1-CG 3.23Å; E359-R496 WeakPolarHBondContact OE1-CG 3.5Å; E359-R496 IonicContact OE1-CZ 2.86Å; E359-R496 IonicContact OE1-NE 2.93Å; E359-R496 PolarHBondContact OE1-NE 2.99Å; E359-R496 IonicContact OE1-NH2 3.27Å; E359-R496 IonicContact OE2-CZ 3.31Å; E359-R496 IonicContact OE2-NE 2.81Å; E359-R496 PolarHBondContact OE2-NE 3.4Å; E359-R496 IonicContact OE2-NH2 3.41Å; E359-R496 PolarHBondContact OE2-NH2 3.32Å; E359-H531 IonicContact OE1-CD2 2.83Å; E359-G532 WeakPolarHBondContact OE1-CA 3.25Å; E359-G533 PolarHBondContact OE1-N 3.16Å; E359-G533 WeakPolarHBondContact OE2-CA 3.27Å
360	C	98.5	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.4	-165.4	-56.6	0	0	0	0	111.1	Y283 I363 R371 H531 G532	Y283-C360 PolarHBondContact OH-SG 2.79Å; C360-I363 HydrophobicContact CB-CD1 3.8Å; C360-I363 HydrophobicContact CB-CG1 4.32Å; C360-I363 HydrophobicContact CB-CG2 4.16Å; C360-R371 PolarHBondContact SG-NH1 3.36Å; C360-H531 WeakPolarHBondContact O-CA 3.38Å; C360-H531 WeakPolarHBondContact O-CB 3.17Å; C360-G532 PolarHBondContact N-O 2.9Å; C360-G532 PolarHBondContact O-N 2.94Å
361	P	98.2	Very high	97.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.013	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	155.2	178	33	-25.6	0	0	0	112.6	L326 D331 W695	L326-P361 HydrophobicContact CB-CB 4.12Å; L326-P361 HydrophobicContact CB-CG 4.3Å; L326-P361 HydrophobicContact CD1-CB 4.42Å; L326-P361 HydrophobicContact CD2-CB 4.45Å; L326-P361 HydrophobicContact CD2-CG 4.29Å; D331-P361 WeakPolarHBondContact OD1-CD 3.43Å; P361-W695 HydrophobicContact CB-CH2 3.67Å; P361-W695 HydrophobicContact CB-CZ2 4.45Å; P361-W695 HydrophobicContact CG-CH2 4.09Å
362	F	97.5	Very high	97.7	Very high	27 Å²	27	22 Å²	22	12%	0.118	11%	0.113	C	C	.	.	S	Bend	trans	57.2	47.7	176.4	-48.4	-74.2	0	0	0	113.5	C529 P530 F693 W695 I770	F362-C529 HydrophobicContact CD1-CB 3.65Å; F362-C529 HydrophobicContact CE1-CB 3.32Å; F362-C529 HydrophobicContact CG-CB 4.47Å; F362-C529 HydrophobicContact CZ-CB 3.93Å; F362-P530 WeakPolarHBondContact CA-O 3.5Å; F362-P530 PolarHBondContact N-O 3.39Å; F362-F693 HydrophobicContact CB-CB 4.02Å; F362-F693 HydrophobicContact CB-CD1 4.1Å; F362-F693 HydrophobicContact CB-CG 3.98Å; F362-F693 HydrophobicContact CD1-CB 3.86Å; F362-F693 AromaticContact CD1-CD1 3.75Å; F362-F693 HydrophobicContact CD1-CD1 3.75Å; F362-F693 HydrophobicContact CD1-CG 4.13Å; F362-F693 HydrophobicContact CD2-CB 3.68Å; F362-F693 HydrophobicContact CE1-CB 4.22Å; F362-F693 HydrophobicContact CE1-CD1 4.42Å; F362-F693 HydrophobicContact CE2-CB 4.05Å; F362-F693 HydrophobicContact CG-CB 3.58Å; F362-F693 HydrophobicContact CG-CD1 4.04Å; F362-F693 AromaticContact CG-CG 3.98Å; F362-F693 HydrophobicContact CG-CG 3.98Å; F362-F693 HydrophobicContact CZ-CB 4.31Å; F362-W695 HydrophobicContact CD2-CH2 4.37Å; F362-W695 HydrophobicContact CE2-CE3 4.05Å; F362-W695 AromaticContact CE2-CH2 3.44Å; F362-W695 HydrophobicContact CE2-CH2 3.44Å; F362-W695 VanDerWaalsContact CE2-CH2 3.44Å; F362-W695 AromaticContact CE2-CZ2 3.98Å; F362-W695 HydrophobicContact CE2-CZ2 3.98Å; F362-W695 AromaticContact CE2-CZ3 3.48Å; F362-W695 HydrophobicContact CE2-CZ3 3.48Å; F362-W695 VanDerWaalsContact CE2-CZ3 3.48Å; F362-W695 HydrophobicContact CZ-CD2 4.24Å; F362-W695 HydrophobicContact CZ-CE3 4.19Å; F362-W695 AromaticContact CZ-CH2 3.8Å; F362-W695 HydrophobicContact CZ-CH2 3.8Å; F362-W695 AromaticContact CZ-CZ2 3.83Å; F362-W695 HydrophobicContact CZ-CZ2 3.83Å; F362-W695 AromaticContact CZ-CZ3 3.98Å; F362-W695 HydrophobicContact CZ-CZ3 3.98Å; F362-I770 HydrophobicContact CD1-CD1 3.92Å; F362-I770 HydrophobicContact CE1-CD1 3.83Å
363	I	97.5	Very high	97.7	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.026	12%	0.116	C	C	.	.			trans	-119.4	159.6	176	63.6	164.2	0	0	0	111.6	C360 E367 L368 M495 P530	C360-I363 HydrophobicContact CB-CD1 3.8Å; C360-I363 HydrophobicContact CB-CG1 4.32Å; C360-I363 HydrophobicContact CB-CG2 4.16Å; I363-E367 WeakPolarHBondContact CA-OE2 3.32Å; I363-E367 HydrophobicContact CB-CB 4.22Å; I363-L368 HydrophobicContact CD1-CB 4.1Å; I363-L368 HydrophobicContact CD1-CD1 4.32Å; I363-M495 HydrophobicContact CD1-SD 4.24Å; I363-M495 HydrophobicContact CG1-CE 4.05Å; I363-M495 HydrophobicContact CG1-SD 4.2Å; I363-M495 WeakPolarHBondContact O-CE 3.31Å; I363-P530 PolarHBondContact N-O 2.76Å
364	T	97.1	Very high	97.8	Very high	77 Å²	77	23.6 Å²	23.6	47%	0.472	12%	0.122	S	C	.	.			trans	-98.1	166	168.7	61.5	0	0	0	0	110.9	D366 E367 L368	T364-D366 VanDerWaalsContact C-N 3.27Å; T364-D366 PolarHBondContact O-N 3.48Å; T364-E367 PolarHBondContact N-OE2 2.78Å; T364-E367 PolarHBondContact O-N 2.85Å; T364-E367 WeakPolarHBondContact OG1-CG 3.2Å; T364-E367 PolarHBondContact OG1-N 3.41Å; T364-E367 PolarHBondContact OG1-OE2 2.78Å; T364-L368 PolarHBondContact O-N 3.07Å
365	F	97.7	Very high	97.8	Very high	22 Å²	22	23.6 Å²	23.6	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-60.4	-35.5	174.8	-175	-122.3	0	0	0	112.7	L368 L369 H456 E478 S479 V480 M495	F365-L368 HydrophobicContact CD2-CD2 4.22Å; F365-L368 HydrophobicContact CE2-CD2 4.4Å; F365-L368 WeakPolarHBondContact O-CB 3.28Å; F365-L368 PolarHBondContact O-N 3.37Å; F365-L369 HydrophobicContact CD1-CD1 4.49Å; F365-L369 HydrophobicContact CE1-CD1 4.14Å; F365-L369 HydrophobicContact CE1-CG 4.49Å; F365-L369 HydrophobicContact CE2-CD2 4.44Å; F365-L369 HydrophobicContact CZ-CD1 4.48Å; F365-L369 HydrophobicContact CZ-CD2 4.16Å; F365-L369 HydrophobicContact CZ-CG 4.43Å; F365-L369 WeakPolarHBondContact O-CG 3.18Å; F365-L369 PolarHBondContact O-N 3.26Å; F365-L369 VanDerWaalsContact O-N 3.12Å; F365-H456 HydrophobicContact CE1-CB 4.28Å; F365-H456 HydrophobicContact CZ-CB 3.95Å; F365-E478 HydrophobicContact CB-CB 4.43Å; F365-E478 HydrophobicContact CB-CG 4.5Å; F365-E478 HydrophobicContact CD2-CB 3.93Å; F365-E478 VanDerWaalsContact CE2-C 3.45Å; F365-E478 HydrophobicContact CE2-CB 4.38Å; F365-E478 WeakPolarHBondContact CE2-O 3.42Å; F365-E478 HydrophobicContact CG-CB 4.12Å; F365-E478 HydrophobicContact CG-CG 4.47Å; F365-S479 WeakPolarHBondContact CZ-O 3.23Å; F365-V480 HydrophobicContact CE2-CB 4.19Å; F365-V480 HydrophobicContact CE2-CG1 4.16Å; F365-V480 HydrophobicContact CZ-CB 4.1Å; F365-M495 HydrophobicContact CB-CG 3.9Å; F365-M495 HydrophobicContact CD2-CG 3.93Å; F365-M495 HydrophobicContact CG-CG 4.38Å
366	D	97	Very high	97.7	Very high	76 Å²	76	23 Å²	23	41%	0.406	12%	0.119	S	C	.	.	H	α-helix	trans	-67	-38.4	176.9	-169.8	68.2	0	0	0	112.5	T364 L368 L369 C370 R408	T364-D366 VanDerWaalsContact C-N 3.27Å; T364-D366 PolarHBondContact O-N 3.48Å; D366-L368 VanDerWaalsContact C-N 3.33Å; D366-L369 PolarHBondContact O-N 2.84Å; D366-C370 PolarHBondContact O-N 3.15Å; D366-C370 PolarHBondContact O-SG 3.34Å; D366-R408 IonicContact OD1-CZ 2.67Å; D366-R408 IonicContact OD1-NH1 2.9Å; D366-R408 PolarHBondContact OD1-NH1 2.64Å; D366-R408 IonicContact OD1-NH2 2.82Å; D366-R408 PolarHBondContact OD1-NH2 2.9Å
367	E	97.2	Very high	97.6	Very high	86 Å²	86	23.7 Å²	23.7	40%	0.402	12%	0.124	S	C	.	.	H	α-helix	trans	-66.9	-34.2	174.3	-72.3	168.4	130.4	0	0	111.9	I363 T364 C370 R371	I363-E367 WeakPolarHBondContact CA-OE2 3.32Å; I363-E367 HydrophobicContact CB-CB 4.22Å; T364-E367 PolarHBondContact N-OE2 2.78Å; T364-E367 PolarHBondContact O-N 2.85Å; T364-E367 WeakPolarHBondContact OG1-CG 3.2Å; T364-E367 PolarHBondContact OG1-N 3.41Å; T364-E367 PolarHBondContact OG1-OE2 2.78Å; E367-C370 PolarHBondContact O-N 2.96Å; E367-R371 WeakPolarHBondContact O-CB 3.11Å; E367-R371 VanDerWaalsContact O-CG 3.27Å; E367-R371 WeakPolarHBondContact O-CG 3.48Å; E367-R371 PolarHBondContact O-N 3.44Å
368	L	98.2	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-48.1	171.1	179.9	62.1	0	0	0	111	I363 T364 F365 D366 C370 R371 L372 V480 M495 Y534	I363-L368 HydrophobicContact CD1-CB 4.1Å; I363-L368 HydrophobicContact CD1-CD1 4.32Å; T364-L368 PolarHBondContact O-N 3.07Å; F365-L368 HydrophobicContact CD2-CD2 4.22Å; F365-L368 HydrophobicContact CE2-CD2 4.4Å; F365-L368 WeakPolarHBondContact O-CB 3.28Å; F365-L368 PolarHBondContact O-N 3.37Å; D366-L368 VanDerWaalsContact C-N 3.33Å; L368-C370 VanDerWaalsContact C-N 3.34Å; L368-C370 PolarHBondContact O-N 3.21Å; L368-R371 PolarHBondContact O-N 3.24Å; L368-L372 HydrophobicContact CG-CD1 4.48Å; L368-L372 WeakPolarHBondContact O-CG 3.44Å; L368-L372 PolarHBondContact O-N 2.54Å; L368-V480 HydrophobicContact CD2-CG1 4.39Å; L368-M495 HydrophobicContact CB-SD 4.34Å; L368-M495 HydrophobicContact CD2-SD 4.23Å; L368-Y534 HydrophobicContact CD1-CD1 3.85Å
369	L	98	Very high	97.6	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-43.4	176.1	-61.8	-179.8	0	0	0	112	F365 D366 R371 L372 E373 F454 V480	F365-L369 HydrophobicContact CD1-CD1 4.49Å; F365-L369 HydrophobicContact CE1-CD1 4.14Å; F365-L369 HydrophobicContact CE1-CG 4.49Å; F365-L369 HydrophobicContact CE2-CD2 4.44Å; F365-L369 HydrophobicContact CZ-CD1 4.48Å; F365-L369 HydrophobicContact CZ-CD2 4.16Å; F365-L369 HydrophobicContact CZ-CG 4.43Å; F365-L369 WeakPolarHBondContact O-CG 3.18Å; F365-L369 PolarHBondContact O-N 3.26Å; F365-L369 VanDerWaalsContact O-N 3.12Å; D366-L369 PolarHBondContact O-N 2.84Å; L369-R371 VanDerWaalsContact C-N 3.34Å; L369-R371 PolarHBondContact O-N 3.25Å; L369-L372 PolarHBondContact O-N 2.97Å; L369-E373 PolarHBondContact O-N 2.89Å; L369-F454 HydrophobicContact CD2-CB 4.4Å; L369-F454 HydrophobicContact CD2-CD1 4.47Å; L369-F454 HydrophobicContact CD2-CD2 4.4Å; L369-F454 HydrophobicContact CD2-CG 4.2Å; L369-V480 HydrophobicContact CD2-CB 3.71Å; L369-V480 HydrophobicContact CD2-CG1 3.85Å; L369-V480 HydrophobicContact CD2-CG2 3.47Å; L369-V480 VanDerWaalsContact CD2-CG2 3.47Å
370	C	97.3	Very high	97.4	Very high	55 Å²	55	24.6 Å²	24.6	37%	0.372	13%	0.129	S	C	.	.	H	α-helix	trans	-62	-39.8	176.7	-69.3	0	0	0	0	112.3	D366 E367 L368 E373 D374	D366-C370 PolarHBondContact O-N 3.15Å; D366-C370 PolarHBondContact O-SG 3.34Å; E367-C370 PolarHBondContact O-N 2.96Å; L368-C370 VanDerWaalsContact C-N 3.34Å; L368-C370 PolarHBondContact O-N 3.21Å; C370-E373 VanDerWaalsContact O-CG 3.3Å; C370-E373 WeakPolarHBondContact O-CG 3.46Å; C370-D374 VanDerWaalsContact O-CB 3.26Å; C370-D374 WeakPolarHBondContact O-CB 3.4Å; C370-D374 PolarHBondContact O-N 2.99Å
371	R	97.5	Very high	97.3	Very high	57 Å²	57	29.3 Å²	29.3	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-39.9	175.6	-72.7	175.8	-172.5	-139.7	6.1	111.5	Y283 D331 C360 E367 L368 L369 D374 I375	Y283-R371 PolarHBondContact OH-NH1 3.09Å; D331-R371 IonicContact OD1-CZ 3.97Å; D331-R371 IonicContact OD1-NH1 3.55Å; D331-R371 PolarHBondContact OD1-NH1 2.83Å; D331-R371 IonicContact OD1-NH2 3.82Å; C360-R371 PolarHBondContact SG-NH1 3.36Å; E367-R371 WeakPolarHBondContact O-CB 3.11Å; E367-R371 VanDerWaalsContact O-CG 3.27Å; E367-R371 WeakPolarHBondContact O-CG 3.48Å; E367-R371 PolarHBondContact O-N 3.44Å; L368-R371 PolarHBondContact O-N 3.24Å; L369-R371 VanDerWaalsContact C-N 3.34Å; L369-R371 PolarHBondContact O-N 3.25Å; R371-D374 PolarHBondContact O-N 3.32Å; R371-I375 PolarHBondContact O-N 3.02Å
372	L	97.7	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-43.8	177.5	-75.4	176.2	0	0	0	113.2	L368 L369 D374 I375 V376 F454 V480 V491 Y534	L368-L372 HydrophobicContact CG-CD1 4.48Å; L368-L372 WeakPolarHBondContact O-CG 3.44Å; L368-L372 PolarHBondContact O-N 2.54Å; L369-L372 PolarHBondContact O-N 2.97Å; L372-D374 PolarHBondContact O-N 2.91Å; L372-I375 VanDerWaalsContact O-CG2 3.26Å; L372-I375 WeakPolarHBondContact O-CG2 3.47Å; L372-V376 WeakPolarHBondContact O-CG2 3.48Å; L372-V376 PolarHBondContact O-N 3.33Å; L372-F454 HydrophobicContact CB-CE1 3.7Å; L372-F454 HydrophobicContact CB-CZ 3.73Å; L372-F454 HydrophobicContact CD1-CE1 4.24Å; L372-V480 HydrophobicContact CD1-CG1 3.52Å; L372-V480 HydrophobicContact CD1-CG2 4.42Å; L372-V491 HydrophobicContact CD2-CG1 3.61Å; L372-Y534 HydrophobicContact CD2-CD1 3.61Å; L372-Y534 HydrophobicContact CD2-CD2 3.64Å; L372-Y534 HydrophobicContact CD2-CE1 4.12Å; L372-Y534 HydrophobicContact CD2-CE2 4.13Å; L372-Y534 HydrophobicContact CD2-CG 3.36Å; L372-Y534 HydrophobicContact CG-CD1 4.22Å; L372-Y534 HydrophobicContact CG-CG 4.36Å
373	E	95.9	Very high	97.2	Very high	22 Å²	22	31.8 Å²	31.8	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-31.6	177	70.3	171.7	-119.6	0	0	110.8	L369 C370 C377 K404 F406 F454	L369-E373 PolarHBondContact O-N 2.89Å; C370-E373 VanDerWaalsContact O-CG 3.3Å; C370-E373 WeakPolarHBondContact O-CG 3.46Å; E373-C377 VanDerWaalsContact O-CB 3.31Å; E373-C377 WeakPolarHBondContact O-CB 3.48Å; E373-C377 PolarHBondContact O-N 3.23Å; E373-C377 VanDerWaalsContact O-N 3.08Å; E373-C377 PolarHBondContact O-SG 3.15Å; E373-K404 HydrophobicContact CB-CG 4.48Å; E373-K404 HydrophobicContact CG-CD 4.27Å; E373-K404 HydrophobicContact CG-CG 4.22Å; E373-K404 WeakPolarHBondContact OE1-CB 3.23Å; E373-K404 WeakPolarHBondContact OE1-CD 3.37Å; E373-K404 WeakPolarHBondContact OE1-CG 3.21Å; E373-F406 HydrophobicContact CB-CD2 4.03Å; E373-F406 HydrophobicContact CB-CE2 4.14Å; E373-F406 HydrophobicContact CB-CG 4.23Å; E373-F406 HydrophobicContact CB-CZ 4.42Å; E373-F454 HydrophobicContact CB-CE2 3.94Å; E373-F454 HydrophobicContact CB-CZ 3.86Å
374	D	97.4	Very high	97.1	Very high	40 Å²	40	33.3 Å²	33.3	21%	0.214	17%	0.168	C	C	.	.	H	α-helix	trans	-69.8	-45.3	-178.2	-170.6	50.6	0	0	0	112.7	H277 R281 C370 R371 L372 C377 D378 K404	H277-D374 IonicContact CE1-OD2 3.46Å; R281-D374 IonicContact CZ-OD2 2.57Å; R281-D374 IonicContact NE-OD2 2.57Å; R281-D374 PolarHBondContact NE-OD2 3.45Å; R281-D374 VanDerWaalsContact NH2-CG 3.33Å; R281-D374 IonicContact NH2-OD1 3.52Å; R281-D374 PolarHBondContact NH2-OD1 3.18Å; R281-D374 IonicContact NH2-OD2 2.89Å; R281-D374 PolarHBondContact NH2-OD2 2.87Å; C370-D374 VanDerWaalsContact O-CB 3.26Å; C370-D374 WeakPolarHBondContact O-CB 3.4Å; C370-D374 PolarHBondContact O-N 2.99Å; R371-D374 PolarHBondContact O-N 3.32Å; L372-D374 PolarHBondContact O-N 2.91Å; D374-C377 PolarHBondContact O-N 3.1Å; D374-D378 WeakPolarHBondContact O-CB 3.48Å; D374-D378 PolarHBondContact O-N 3.19Å; D374-K404 VanDerWaalsContact CA-NZ 3.31Å; D374-K404 IonicContact OD1-NZ 3.83Å; D374-K404 PolarHBondContact OD1-NZ 2.96Å
375	I	97.6	Very high	96.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-44.7	177	-169.7	166.9	0	0	0	112	F274 H277 Y278 R371 L372 C377 V379 Y534	F274-I375 HydrophobicContact CD1-CD1 3.88Å; F274-I375 HydrophobicContact CD1-CG1 4.05Å; F274-I375 HydrophobicContact CE1-CD1 4.03Å; F274-I375 HydrophobicContact CE1-CG1 3.99Å; H277-I375 WeakPolarHBondContact CE1-CA 3.39Å; Y278-I375 HydrophobicContact CE1-CD1 3.99Å; Y278-I375 HydrophobicContact CE2-CD1 3.83Å; Y278-I375 VanDerWaalsContact CZ-CD1 3.4Å; Y278-I375 WeakPolarHBondContact OH-CD1 3.44Å; R371-I375 PolarHBondContact O-N 3.02Å; L372-I375 VanDerWaalsContact O-CG2 3.26Å; L372-I375 WeakPolarHBondContact O-CG2 3.47Å; I375-C377 PolarHBondContact O-N 3.08Å; I375-V379 HydrophobicContact CG1-CG2 3.94Å; I375-V379 WeakPolarHBondContact O-CB 3.42Å; I375-V379 WeakPolarHBondContact O-CG2 3.3Å; I375-V379 PolarHBondContact O-N 3.5Å; I375-Y534 HydrophobicContact CD1-CE2 4.11Å; I375-Y534 HydrophobicContact CG2-CE2 4.44Å
376	V	97	Very high	96.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-48.4	179.3	173.6	0	0	0	0	111	L372 A380 P402 F406 L482 M484 F541 W544	L372-V376 WeakPolarHBondContact O-CG2 3.48Å; L372-V376 PolarHBondContact O-N 3.33Å; V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.34Å; V376-A380 PolarHBondContact O-N 2.91Å; V376-A380 VanDerWaalsContact O-N 3.15Å; V376-P402 HydrophobicContact CG1-CG 4.02Å; V376-F406 HydrophobicContact CB-CE2 4.13Å; V376-F406 HydrophobicContact CB-CZ 4.2Å; V376-F406 HydrophobicContact CG1-CE2 4.05Å; V376-F406 HydrophobicContact CG1-CZ 3.91Å; V376-L482 HydrophobicContact CB-CD2 4.42Å; V376-L482 HydrophobicContact CG2-CD2 3.37Å; V376-M484 HydrophobicContact CG1-CE 4.28Å; V376-F541 HydrophobicContact CB-CE2 4.4Å; V376-F541 HydrophobicContact CG1-CE2 4.14Å; V376-F541 HydrophobicContact CG2-CE2 4.08Å; V376-W544 HydrophobicContact CG1-CH2 4Å; V376-W544 HydrophobicContact CG1-CZ3 4.07Å
377	C	97	Very high	96.1	Very high	15 Å²	15	39.4 Å²	39.4	10%	0.101	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-45.5	-179.4	-67.1	0	0	0	0	112.8	E373 D374 I375 K381 K404	E373-C377 VanDerWaalsContact O-CB 3.31Å; E373-C377 WeakPolarHBondContact O-CB 3.48Å; E373-C377 PolarHBondContact O-N 3.23Å; E373-C377 VanDerWaalsContact O-N 3.08Å; E373-C377 PolarHBondContact O-SG 3.15Å; D374-C377 PolarHBondContact O-N 3.1Å; I375-C377 PolarHBondContact O-N 3.08Å; C377-K381 VanDerWaalsContact O-CB 3.23Å; C377-K381 WeakPolarHBondContact O-CB 3.36Å; C377-K381 PolarHBondContact O-N 3.47Å; C377-K404 HydrophobicContact CB-CG 4.47Å; C377-K404 VanDerWaalsContact SG-CG 3.57Å
378	D	97.8	Very high	95.6	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.134	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-43.5	-177	-172.6	46.1	0	0	0	111.4	H277 R281 D374 K381 R382	H277-D378 IonicContact CG-OD2 2.9Å; H277-D378 IonicContact ND1-OD2 2.81Å; H277-D378 PolarHBondContact ND1-OD2 2.76Å; R281-D378 IonicContact CZ-OD2 3.61Å; R281-D378 IonicContact NH1-OD2 3.78Å; R281-D378 PolarHBondContact NH1-OD2 3.07Å; R281-D378 IonicContact NH2-OD2 3.77Å; R281-D378 PolarHBondContact NH2-OD2 2.88Å; D374-D378 WeakPolarHBondContact O-CB 3.48Å; D374-D378 PolarHBondContact O-N 3.19Å; D378-K381 PolarHBondContact O-N 2.97Å; D378-R382 VanDerWaalsContact CG-NE 3.28Å; D378-R382 WeakPolarHBondContact O-CB 3.25Å; D378-R382 VanDerWaalsContact O-CG 3.26Å; D378-R382 WeakPolarHBondContact O-CG 3.08Å; D378-R382 PolarHBondContact O-N 3.06Å; D378-R382 IonicContact OD1-CZ 3.29Å; D378-R382 IonicContact OD1-NE 3.57Å; D378-R382 PolarHBondContact OD1-NE 3.46Å; D378-R382 IonicContact OD1-NH2 2.67Å; D378-R382 IonicContact OD2-CZ 3.07Å; D378-R382 IonicContact OD2-NE 2.78Å; D378-R382 PolarHBondContact OD2-NE 3Å; D378-R382 IonicContact OD2-NH2 4Å; D378-R382 PolarHBondContact OD2-NH2 2.84Å
379	V	97.9	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-47.8	178.3	171.2	0	0	0	0	111	L270 A273 F274 H277 I375 K381 R382 V383 F541	L270-V379 HydrophobicContact CD2-CG1 3.9Å; A273-V379 HydrophobicContact CB-CG1 4.01Å; F274-V379 HydrophobicContact CD1-CG1 4.29Å; F274-V379 HydrophobicContact CD1-CG2 3.67Å; F274-V379 HydrophobicContact CD2-CG1 4.06Å; F274-V379 HydrophobicContact CE1-CB 4.35Å; F274-V379 HydrophobicContact CE1-CG1 4.14Å; F274-V379 HydrophobicContact CE1-CG2 3.89Å; F274-V379 HydrophobicContact CE2-CG1 3.88Å; F274-V379 HydrophobicContact CG-CG1 4.23Å; F274-V379 HydrophobicContact CG-CG2 4.12Å; F274-V379 HydrophobicContact CZ-CG1 3.92Å; H277-V379 HydrophobicContact CB-CG2 3.97Å; I375-V379 HydrophobicContact CG1-CG2 3.94Å; I375-V379 WeakPolarHBondContact O-CB 3.42Å; I375-V379 WeakPolarHBondContact O-CG2 3.3Å; I375-V379 PolarHBondContact O-N 3.5Å; V379-K381 VanDerWaalsContact C-N 3.27Å; V379-K381 PolarHBondContact O-N 3.04Å; V379-R382 PolarHBondContact O-N 3.48Å; V379-R382 VanDerWaalsContact O-N 3.15Å; V379-V383 HydrophobicContact CG1-CG2 4.38Å; V379-V383 VanDerWaalsContact O-CG2 3.28Å; V379-V383 WeakPolarHBondContact O-CG2 3.31Å; V379-V383 PolarHBondContact O-N 3.3Å; V379-F541 HydrophobicContact CG1-CE1 4.1Å; V379-F541 HydrophobicContact CG1-CZ 4.27Å
380	A	96.2	Very high	94.9	Very high	1 Å²	1	43 Å²	43	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-42.5	175.8	0	0	0	0	0	111.5	V376 V384 F399 I401 W544	V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.34Å; V376-A380 PolarHBondContact O-N 2.91Å; V376-A380 VanDerWaalsContact O-N 3.15Å; A380-V384 WeakPolarHBondContact O-CG2 3.48Å; A380-V384 PolarHBondContact O-N 3.3Å; A380-V384 VanDerWaalsContact O-N 3.08Å; A380-F399 HydrophobicContact CB-CZ 4.17Å; A380-I401 HydrophobicContact CB-CG2 4.37Å; A380-W544 HydrophobicContact CB-CH2 4.36Å
381	K	96.7	Very high	94.7	Very high	99 Å²	99	41 Å²	41	43%	0.43	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-41.7	176.3	-176.9	-178.6	179.4	-177.3	0	112.6	C377 D378 V379 K385 I401	C377-K381 VanDerWaalsContact O-CB 3.23Å; C377-K381 WeakPolarHBondContact O-CB 3.36Å; C377-K381 PolarHBondContact O-N 3.47Å; D378-K381 PolarHBondContact O-N 2.97Å; V379-K381 VanDerWaalsContact C-N 3.27Å; V379-K381 PolarHBondContact O-N 3.04Å; K381-K385 HydrophobicContact CG-CD 4.06Å; K381-K385 VanDerWaalsContact O-CB 3.28Å; K381-K385 WeakPolarHBondContact O-CB 3.49Å; K381-K385 VanDerWaalsContact O-CG 3.24Å; K381-K385 WeakPolarHBondContact O-CG 3.25Å; K381-K385 PolarHBondContact O-N 3.27Å; K381-K385 VanDerWaalsContact O-N 3.08Å; K381-I401 HydrophobicContact CB-CD1 4.28Å
382	R	96.9	Very high	94.6	Very high	81 Å²	81	38.2 Å²	38.2	31%	0.306	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-44.3	177.6	-75.4	169.5	-172.2	-96.1	4.7	111.7	A273 S280 D378 V379 K385 S386	A273-R382 HydrophobicContact CB-CB 3.92Å; S280-R382 PolarHBondContact OG-NH2 3.02Å; S280-R382 VanDerWaalsContact OG-NH2 3.12Å; D378-R382 VanDerWaalsContact CG-NE 3.28Å; D378-R382 WeakPolarHBondContact O-CB 3.25Å; D378-R382 VanDerWaalsContact O-CG 3.26Å; D378-R382 WeakPolarHBondContact O-CG 3.08Å; D378-R382 PolarHBondContact O-N 3.06Å; D378-R382 IonicContact OD1-CZ 3.29Å; D378-R382 IonicContact OD1-NE 3.57Å; D378-R382 PolarHBondContact OD1-NE 3.46Å; D378-R382 IonicContact OD1-NH2 2.67Å; D378-R382 IonicContact OD2-CZ 3.07Å; D378-R382 IonicContact OD2-NE 2.78Å; D378-R382 PolarHBondContact OD2-NE 3Å; D378-R382 IonicContact OD2-NH2 4Å; D378-R382 PolarHBondContact OD2-NH2 2.84Å; V379-R382 PolarHBondContact O-N 3.48Å; V379-R382 VanDerWaalsContact O-N 3.15Å; R382-K385 PolarHBondContact O-N 3.42Å; R382-S386 PolarHBondContact O-N 3.05Å
383	V	95.6	Very high	94.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-51.7	179.2	177.5	0	0	0	0	110.6	L270 A273 V379 K385 S386 G389 V392	L270-V383 HydrophobicContact CD2-CG2 3.52Å; L270-V383 HydrophobicContact CG-CG2 4.13Å; A273-V383 HydrophobicContact CB-CG2 3.74Å; V379-V383 HydrophobicContact CG1-CG2 4.38Å; V379-V383 VanDerWaalsContact O-CG2 3.28Å; V379-V383 WeakPolarHBondContact O-CG2 3.31Å; V379-V383 PolarHBondContact O-N 3.3Å; V383-K385 PolarHBondContact O-N 3.33Å; V383-S386 WeakPolarHBondContact O-CB 3.09Å; V383-S386 PolarHBondContact O-N 3.24Å; V383-S386 VanDerWaalsContact O-N 3.09Å; V383-S386 PolarHBondContact O-OG 2.7Å; V383-G389 WeakPolarHBondContact O-CA 3.32Å; V383-V392 HydrophobicContact CG1-CG2 3.64Å
384	V	94.7	Very high	94.4	Very high	37 Å²	37	45.5 Å²	45.5	22%	0.224	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-31.7	-179.3	172.6	0	0	0	0	112.2	A380 M393 F399 I401	A380-V384 WeakPolarHBondContact O-CG2 3.48Å; A380-V384 PolarHBondContact O-N 3.3Å; A380-V384 VanDerWaalsContact O-N 3.08Å; V384-M393 HydrophobicContact CG1-CE 3.89Å; V384-M393 HydrophobicContact CG2-CE 4.28Å; V384-F399 HydrophobicContact CG2-CD1 4.1Å; V384-F399 HydrophobicContact CG2-CE1 3.81Å; V384-I401 HydrophobicContact CB-CD1 4.34Å; V384-I401 HydrophobicContact CG1-CD1 4.47Å; V384-I401 HydrophobicContact CG2-CD1 4.45Å; V384-I401 HydrophobicContact CG2-CG1 4.38Å
385	K	94.7	Very high	94.3	Very high	155 Å²	155	44.4 Å²	44.4	67%	0.674	22%	0.222	S	C	*	.	H	α-helix	trans	-86.6	-6.8	177.8	-70	-173.4	176.8	-156.2	0	114.7	K381 R382 V383	K381-K385 HydrophobicContact CG-CD 4.06Å; K381-K385 VanDerWaalsContact O-CB 3.28Å; K381-K385 WeakPolarHBondContact O-CB 3.49Å; K381-K385 VanDerWaalsContact O-CG 3.24Å; K381-K385 WeakPolarHBondContact O-CG 3.25Å; K381-K385 PolarHBondContact O-N 3.27Å; K381-K385 VanDerWaalsContact O-N 3.08Å; R382-K385 PolarHBondContact O-N 3.42Å; V383-K385 PolarHBondContact O-N 3.33Å
386	S	92.2	Very high	94.2	Very high	37 Å²	37	45.7 Å²	45.7	26%	0.259	23%	0.229	S	C	.	.	S	Bend	trans	-69.1	163.6	177	73.4	0	0	0	0	111.3	R382 V383 E388 G389	R382-S386 PolarHBondContact O-N 3.05Å; V383-S386 WeakPolarHBondContact O-CB 3.09Å; V383-S386 PolarHBondContact O-N 3.24Å; V383-S386 VanDerWaalsContact O-N 3.09Å; V383-S386 PolarHBondContact O-OG 2.7Å; S386-E388 PolarHBondContact O-N 3.07Å; S386-G389 PolarHBondContact O-N 3.03Å; S386-G389 PolarHBondContact OG-N 3.5Å; S386-G389 VanDerWaalsContact OG-N 3.14Å
387	C	85.1	Confident	94.1	Very high	110 Å²	110	50.6 Å²	50.6	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	177.1	52.5	0	0	0	0	112.9	H390	C387-H390 PolarHBondContact O-ND1 3.46Å; C387-H390 VanDerWaalsContact O-ND1 3.11Å
388	E	86.7	Confident	93.8	Very high	63 Å²	63	58.7 Å²	58.7	29%	0.294	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	8.3	177.5	-67.5	-172.3	158	0	0	112.9	L269 S386 H390 L391	L269-E388 HydrophobicContact CD1-CB 3.4Å; L269-E388 HydrophobicContact CD2-CB 4.16Å; L269-E388 HydrophobicContact CG-CB 4.3Å; S386-E388 PolarHBondContact O-N 3.07Å; E388-H390 PolarHBondContact O-N 2.89Å; E388-H390 VanDerWaalsContact O-N 3.1Å; E388-L391 HydrophobicContact CB-CD1 4.13Å; E388-L391 HydrophobicContact CB-CG 4.47Å; E388-L391 VanDerWaalsContact O-CB 3.29Å; E388-L391 WeakPolarHBondContact O-CB 3.47Å; E388-L391 VanDerWaalsContact O-CG 3.32Å; E388-L391 WeakPolarHBondContact O-CG 3.23Å; E388-L391 PolarHBondContact O-N 2.8Å
389	G	88	Confident	93.6	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.2	-179.7	0	0	0	0	0	114.1	V383 S386 L391 V392	V383-G389 WeakPolarHBondContact O-CA 3.32Å; S386-G389 PolarHBondContact O-N 3.03Å; S386-G389 PolarHBondContact OG-N 3.5Å; S386-G389 VanDerWaalsContact OG-N 3.14Å; G389-L391 PolarHBondContact O-N 3.26Å; G389-V392 WeakPolarHBondContact O-CB 3.27Å; G389-V392 PolarHBondContact O-N 3.05Å; G389-V392 VanDerWaalsContact O-N 3.17Å
390	H	92.2	Very high	93.3	Very high	102 Å²	102	66.5 Å²	66.5	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-29	172.7	66.7	-85.2	0	0	0	112.6	C387 E388 V392 M393 E394	C387-H390 PolarHBondContact O-ND1 3.46Å; C387-H390 VanDerWaalsContact O-ND1 3.11Å; E388-H390 PolarHBondContact O-N 2.89Å; E388-H390 VanDerWaalsContact O-N 3.1Å; H390-V392 VanDerWaalsContact C-N 3.26Å; H390-V392 PolarHBondContact O-N 3.25Å; H390-M393 PolarHBondContact O-N 2.86Å; H390-E394 IonicContact CD2-OE1 2.85Å; H390-E394 PolarHBondContact CD2-OE1 3.05Å; H390-E394 PolarHBondContact O-N 2.98Å
391	L	94.5	Very high	93.2	Very high	11 Å²	11	69.9 Å²	69.9	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-33.1	176.9	-61.3	-177.2	0	0	0	112.4	K262 K265 V266 E388 G389 M393 E394 L395	K262-L391 HydrophobicContact CD-CD2 4.12Å; K262-L391 HydrophobicContact CG-CD2 3.93Å; K265-L391 HydrophobicContact CB-CD1 3.91Å; K265-L391 HydrophobicContact CD-CD1 4.11Å; V266-L391 HydrophobicContact CG2-CB 3.69Å; V266-L391 HydrophobicContact CG2-CD1 4.42Å; E388-L391 HydrophobicContact CB-CD1 4.13Å; E388-L391 HydrophobicContact CB-CG 4.47Å; E388-L391 VanDerWaalsContact O-CB 3.29Å; E388-L391 WeakPolarHBondContact O-CB 3.47Å; E388-L391 VanDerWaalsContact O-CG 3.32Å; E388-L391 WeakPolarHBondContact O-CG 3.23Å; E388-L391 PolarHBondContact O-N 2.8Å; G389-L391 PolarHBondContact O-N 3.26Å; L391-M393 VanDerWaalsContact C-N 3.31Å; L391-M393 PolarHBondContact O-N 2.86Å; L391-E394 PolarHBondContact O-N 3.03Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.23Å; L391-L395 PolarHBondContact O-N 3.11Å
392	V	95.4	Very high	93.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-41.6	174.1	176.8	0	0	0	0	110.4	V266 V383 G389 H390 L395 N396 F399 V545	V266-V392 HydrophobicContact CG1-CG2 3.96Å; V266-V392 HydrophobicContact CG2-CG2 4.23Å; V383-V392 HydrophobicContact CG1-CG2 3.64Å; G389-V392 WeakPolarHBondContact O-CB 3.27Å; G389-V392 PolarHBondContact O-N 3.05Å; G389-V392 VanDerWaalsContact O-N 3.17Å; H390-V392 VanDerWaalsContact C-N 3.26Å; H390-V392 PolarHBondContact O-N 3.25Å; V392-L395 PolarHBondContact O-N 3.32Å; V392-N396 CarbonylContact O-C 3.59Å; V392-N396 WeakPolarHBondContact O-CA 3.33Å; V392-N396 PolarHBondContact O-N 3.2Å; V392-F399 HydrophobicContact CG1-CB 4.29Å; V392-F399 HydrophobicContact CG1-CD1 3.84Å; V392-F399 HydrophobicContact CG1-CE1 4.38Å; V392-F399 HydrophobicContact CG1-CG 4.03Å; V392-V545 HydrophobicContact CG1-CG1 3.77Å; V392-V545 HydrophobicContact CG2-CG1 3.99Å
393	M	94.1	Very high	92.8	Very high	77 Å²	77	66.8 Å²	66.8	38%	0.379	35%	0.347	S	S	.	.	H	α-helix	trans	-73.6	-30.2	-179.7	-61.6	-60.3	175.5	0	0	112.3	V384 H390 L391 N396 P397 F399	V384-M393 HydrophobicContact CG1-CE 3.89Å; V384-M393 HydrophobicContact CG2-CE 4.28Å; H390-M393 PolarHBondContact O-N 2.86Å; L391-M393 VanDerWaalsContact C-N 3.31Å; L391-M393 PolarHBondContact O-N 2.86Å; M393-N396 CarbonylContact O-C 3.56Å; M393-P397 WeakPolarHBondContact O-CA 3.34Å; M393-P397 WeakPolarHBondContact O-CD 3.32Å; M393-P397 VanDerWaalsContact O-CG 3.31Å; M393-P397 WeakPolarHBondContact O-CG 3.48Å; M393-P397 VanDerWaalsContact O-N 3.17Å; M393-F399 HydrophobicContact CE-CD1 4.47Å
394	E	94.5	Very high	92.7	Very high	98 Å²	98	71 Å²	71	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-67.8	-41.5	170.7	-70.3	-178.7	-159.1	0	0	112.2	K262 H390 L391	K262-E394 WeakPolarHBondContact CE-OE2 3.39Å; K262-E394 IonicContact NZ-OE2 3.53Å; K262-E394 PolarHBondContact NZ-OE2 2.87Å; H390-E394 IonicContact CD2-OE1 2.85Å; H390-E394 PolarHBondContact CD2-OE1 3.05Å; H390-E394 PolarHBondContact O-N 2.98Å; L391-E394 PolarHBondContact O-N 3.03Å
395	L	95.4	Very high	92.7	Very high	17 Å²	17	74.3 Å²	74.3	9%	0.089	39%	0.388	C	S	.	.	H	α-helix	trans	-78	-35.6	-179.6	-69.3	168.5	0	0	0	112.6	K262 I263 V266 L391 V392 T546 R548	K262-L395 HydrophobicContact CB-CD1 4.16Å; K262-L395 HydrophobicContact CB-CD2 4.36Å; K262-L395 HydrophobicContact CB-CG 4.45Å; I263-L395 HydrophobicContact CD1-CD2 4.46Å; I263-L395 HydrophobicContact CG1-CD1 3.77Å; I263-L395 HydrophobicContact CG1-CD2 3.93Å; V266-L395 HydrophobicContact CG2-CD1 4.07Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.23Å; L391-L395 PolarHBondContact O-N 3.11Å; V392-L395 PolarHBondContact O-N 3.32Å; L395-T546 HydrophobicContact CD1-CG2 3.8Å; L395-R548 PolarHBondContact O-NH2 3.48Å
396	N	95.7	Very high	92.9	Very high	28 Å²	28	67.3 Å²	67.3	15%	0.15	36%	0.357	C	S	.	.			trans	-139.1	78.7	-178.4	-172.3	2.1	0	0	0	111	V392 M393 K398 F399 V545 G547	V392-N396 CarbonylContact O-C 3.59Å; V392-N396 WeakPolarHBondContact O-CA 3.33Å; V392-N396 PolarHBondContact O-N 3.2Å; M393-N396 CarbonylContact O-C 3.56Å; N396-K398 PolarHBondContact O-N 2.93Å; N396-F399 HydrophobicContact CB-CB 4.12Å; N396-F399 VanDerWaalsContact O-CB 3.27Å; N396-F399 WeakPolarHBondContact O-CB 3.37Å; N396-F399 PolarHBondContact O-N 3.1Å; N396-F399 PolarHBondContact OD1-N 2.99Å; N396-V545 WeakPolarHBondContact CB-O 3.38Å; N396-V545 PolarHBondContact ND2-O 3.06Å; N396-V545 VanDerWaalsContact ND2-O 3.13Å; N396-G547 PolarHBondContact ND2-N 2.76Å
397	P	94.5	Very high	93.1	Very high	104 Å²	104	71.1 Å²	71.1	68%	0.675	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.4	-177.7	-24.3	32.3	0	0	0	115.2	M393	M393-P397 WeakPolarHBondContact O-CA 3.34Å; M393-P397 WeakPolarHBondContact O-CD 3.32Å; M393-P397 VanDerWaalsContact O-CG 3.31Å; M393-P397 WeakPolarHBondContact O-CG 3.48Å; M393-P397 VanDerWaalsContact O-N 3.17Å
398	K	91.5	Very high	93.7	Very high	185 Å²	185	71 Å²	71	80%	0.804	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	0.2	179.1	-63.5	-178.3	-177.9	176.3	0	112.9	N396 K400	N396-K398 PolarHBondContact O-N 2.93Å; K398-K400 PolarHBondContact O-N 3.38Å
399	F	93.4	Very high	94.2	Very high	15 Å²	15	68.8 Å²	68.8	7%	0.066	34%	0.34	C	S	.	.			trans	-59.3	132.6	-177.9	-175.3	-104.7	0	0	0	111.3	A380 V384 V392 M393 N396 I401 W544 V545	A380-F399 HydrophobicContact CB-CZ 4.17Å; V384-F399 HydrophobicContact CG2-CD1 4.1Å; V384-F399 HydrophobicContact CG2-CE1 3.81Å; V392-F399 HydrophobicContact CG1-CB 4.29Å; V392-F399 HydrophobicContact CG1-CD1 3.84Å; V392-F399 HydrophobicContact CG1-CE1 4.38Å; V392-F399 HydrophobicContact CG1-CG 4.03Å; M393-F399 HydrophobicContact CE-CD1 4.47Å; N396-F399 HydrophobicContact CB-CB 4.12Å; N396-F399 VanDerWaalsContact O-CB 3.27Å; N396-F399 WeakPolarHBondContact O-CB 3.37Å; N396-F399 PolarHBondContact O-N 3.1Å; N396-F399 PolarHBondContact OD1-N 2.99Å; F399-I401 HydrophobicContact CE1-CG1 4.31Å; F399-W544 HydrophobicContact CE2-CD2 4.37Å; F399-W544 AromaticContact CE2-CE2 3.88Å; F399-W544 HydrophobicContact CE2-CH2 4.03Å; F399-W544 AromaticContact CE2-CZ2 3.69Å; F399-W544 HydrophobicContact CE2-CZ2 3.69Å; F399-W544 HydrophobicContact CE2-CZ3 4.49Å; F399-W544 HydrophobicContact CZ-CH2 4.03Å; F399-W544 HydrophobicContact CZ-CZ2 4.08Å; F399-V545 HydrophobicContact CE2-CB 4.32Å; F399-V545 HydrophobicContact CE2-CG1 4.41Å; F399-V545 HydrophobicContact CE2-CG2 4.17Å; F399-V545 HydrophobicContact CZ-CG1 4.42Å; F399-V545 HydrophobicContact CZ-CG2 4.25Å
400	K	92.1	Very high	94.7	Very high	173 Å²	173	69.4 Å²	69.4	75%	0.752	35%	0.345	S	S	*	.			trans	-128.7	135	174	-68.3	-179.6	-178.3	178.6	0	108.7	K398	K398-K400 PolarHBondContact O-N 3.38Å
401	I	93.9	Very high	95	Very high	73 Å²	73	64.6 Å²	64.6	37%	0.374	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-64	126.3	170.6	-60.1	169.5	0	0	0	107.1	A380 K381 V384 F399	A380-I401 HydrophobicContact CB-CG2 4.37Å; K381-I401 HydrophobicContact CB-CD1 4.28Å; V384-I401 HydrophobicContact CB-CD1 4.34Å; V384-I401 HydrophobicContact CG1-CD1 4.47Å; V384-I401 HydrophobicContact CG2-CD1 4.45Å; V384-I401 HydrophobicContact CG2-CG1 4.38Å; F399-I401 HydrophobicContact CE1-CG1 4.31Å
402	P	93.2	Very high	95	Very high	19 Å²	19	67.1 Å²	67.1	12%	0.123	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-66.6	152.2	-179.8	29.1	-35.3	0	0	0	110.9	V376 F406 P452 M484 W544	V376-P402 HydrophobicContact CG1-CG 4.02Å; P402-F406 HydrophobicContact CB-CE1 3.69Å; P402-F406 HydrophobicContact CB-CZ 3.86Å; P402-F406 HydrophobicContact CG-CE1 4.08Å; P402-F406 HydrophobicContact CG-CZ 3.8Å; P402-P452 HydrophobicContact CB-CG 3.71Å; P402-M484 HydrophobicContact CG-CE 4.46Å; P402-W544 HydrophobicContact CG-CH2 3.97Å; P402-W544 HydrophobicContact CG-CZ2 4.19Å
403	S	90.6	Very high	95.2	Very high	96 Å²	96	71.2 Å²	71.2	67%	0.671	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-102.6	139.8	179	53.4	0	0	0	0	111.5	F406	S403-F406 WeakPolarHBondContact O-CD1 3.36Å
404	K	94.2	Very high	95.3	Very high	90 Å²	90	67.6 Å²	67.6	39%	0.391	34%	0.342	S	S	.	.	S	Bend	trans	-80.1	152.6	171.7	-62.6	175.8	168.9	-160	0	111.3	E373 D374 C377	E373-K404 HydrophobicContact CB-CG 4.48Å; E373-K404 HydrophobicContact CG-CD 4.27Å; E373-K404 HydrophobicContact CG-CG 4.22Å; E373-K404 WeakPolarHBondContact OE1-CB 3.23Å; E373-K404 WeakPolarHBondContact OE1-CD 3.37Å; E373-K404 WeakPolarHBondContact OE1-CG 3.21Å; D374-K404 VanDerWaalsContact CA-NZ 3.31Å; D374-K404 IonicContact OD1-NZ 3.83Å; D374-K404 PolarHBondContact OD1-NZ 2.96Å; C377-K404 HydrophobicContact CB-CG 4.47Å; C377-K404 VanDerWaalsContact SG-CG 3.57Å
405	P	95.8	Very high	95.5	Very high	106 Å²	106	63.5 Å²	63.5	69%	0.688	32%	0.324	S	S	*	.	S	Bend	cis	-74.8	152.6	-11.4	32.4	-34.6	0	0	0	111.1
406	F	97.5	Very high	95.6	Very high	8 Å²	8	68.4 Å²	68.4	4%	0.035	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-74.6	154.2	172	-66.6	-5.2	0	0	0	110.9	E373 V376 P402 S403 R408 P452 F454 L482	E373-F406 HydrophobicContact CB-CD2 4.03Å; E373-F406 HydrophobicContact CB-CE2 4.14Å; E373-F406 HydrophobicContact CB-CG 4.23Å; E373-F406 HydrophobicContact CB-CZ 4.42Å; V376-F406 HydrophobicContact CB-CE2 4.13Å; V376-F406 HydrophobicContact CB-CZ 4.2Å; V376-F406 HydrophobicContact CG1-CE2 4.05Å; V376-F406 HydrophobicContact CG1-CZ 3.91Å; P402-F406 HydrophobicContact CB-CE1 3.69Å; P402-F406 HydrophobicContact CB-CZ 3.86Å; P402-F406 HydrophobicContact CG-CE1 4.08Å; P402-F406 HydrophobicContact CG-CZ 3.8Å; S403-F406 WeakPolarHBondContact O-CD1 3.36Å; F406-R408 PolarHBondContact O-N 2.8Å; F406-P452 HydrophobicContact CB-CB 4.25Å; F406-P452 HydrophobicContact CD1-CB 3.94Å; F406-P452 HydrophobicContact CD1-CG 4.23Å; F406-P452 HydrophobicContact CD2-CB 3.69Å; F406-P452 HydrophobicContact CE1-CB 4.2Å; F406-P452 HydrophobicContact CE1-CG 4.15Å; F406-P452 HydrophobicContact CE2-CB 3.93Å; F406-P452 HydrophobicContact CE2-CG 4.49Å; F406-P452 HydrophobicContact CG-CB 3.69Å; F406-P452 HydrophobicContact CG-CG 4.47Å; F406-P452 HydrophobicContact CZ-CB 4.19Å; F406-P452 HydrophobicContact CZ-CG 4.28Å; F406-F454 HydrophobicContact CB-CD2 3.88Å; F406-F454 HydrophobicContact CB-CE2 3.75Å; F406-F454 HydrophobicContact CB-CZ 4.38Å; F406-F454 HydrophobicContact CD2-CE1 4.19Å; F406-F454 AromaticContact CD2-CE2 3.91Å; F406-F454 HydrophobicContact CD2-CE2 3.91Å; F406-F454 AromaticContact CD2-CZ 3.67Å; F406-F454 HydrophobicContact CD2-CZ 3.67Å; F406-F454 HydrophobicContact CE2-CZ 4.42Å; F406-F454 HydrophobicContact CG-CE2 4.2Å; F406-F454 HydrophobicContact CG-CZ 4.41Å; F406-L482 HydrophobicContact CD2-CD1 3.74Å; F406-L482 HydrophobicContact CE2-CD1 4.03Å; F406-L482 HydrophobicContact CE2-CD2 4.23Å
407	R	97.5	Very high	95.7	Very high	117 Å²	117	68.7 Å²	68.7	44%	0.442	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132	176.4	176.5	-179.3	-66.9	-100.6	-1.5	108.9	E451 P452 I453 F454	R407-E451 HydrophobicContact CB-CG 4.31Å; R407-E451 IonicContact CZ-OE1 3.61Å; R407-E451 IonicContact NE-OE1 3.48Å; R407-E451 PolarHBondContact NE-OE1 2.94Å; R407-E451 IonicContact NH2-OE1 2.76Å; R407-E451 PolarHBondContact NH2-OE1 3.27Å; R407-P452 PolarHBondContact N-O 3.12Å; R407-I453 CarbonylContact O-C 3.53Å; R407-I453 WeakPolarHBondContact O-CA 3.36Å; R407-F454 PolarHBondContact O-N 2.87Å
408	R	97.6	Very high	95.8	Very high	108 Å²	108	63.7 Å²	63.7	41%	0.408	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.9	169.2	-61.9	-179	-177.6	-169.4	-2	109	D366 F406 F454	D366-R408 IonicContact OD1-CZ 2.67Å; D366-R408 IonicContact OD1-NH1 2.9Å; D366-R408 PolarHBondContact OD1-NH1 2.64Å; D366-R408 IonicContact OD1-NH2 2.82Å; D366-R408 PolarHBondContact OD1-NH2 2.9Å; F406-R408 PolarHBondContact O-N 2.8Å; R408-F454 HydrophobicContact CG-CB 4.47Å; R408-F454 HydrophobicContact CG-CD2 4.39Å
409	M	97.8	Very high	96.1	Very high	15 Å²	15	57.3 Å²	57.3	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	122.9	180	-174.8	177.4	-66.5	0	0	108.5	D413 A414 M445 I449 I453 F454 L455 H456	M409-D413 HydrophobicContact CG-CB 3.91Å; M409-A414 HydrophobicContact CG-CB 4.41Å; M409-A414 HydrophobicContact SD-CB 3.91Å; M409-M445 HydrophobicContact SD-CE 4.43Å; M409-M445 HydrophobicContact SD-SD 3.9Å; M409-I449 HydrophobicContact CE-CD1 3.64Å; M409-I453 HydrophobicContact CB-CG2 3.73Å; M409-F454 PolarHBondContact N-O 2.89Å; M409-L455 HydrophobicContact CG-CD1 4.41Å; M409-L455 CarbonylContact O-C 3.56Å; M409-L455 VanDerWaalsContact O-CA 3.32Å; M409-L455 WeakPolarHBondContact O-CA 3.07Å; M409-H456 PolarHBondContact O-CD2 3.31Å; M409-H456 PolarHBondContact O-N 3.2Å
410	A	97.3	Very high	96.3	Very high	16 Å²	16	62.7 Å²	62.7	13%	0.132	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	151.8	173.8	0	0	0	0	0	110	T412 D413 A414 H456	A410-T412 PolarHBondContact O-N 3.45Å; A410-T412 VanDerWaalsContact O-N 3.16Å; A410-D413 WeakPolarHBondContact CB-OD2 3.4Å; A410-D413 PolarHBondContact N-OD2 3.41Å; A410-D413 WeakPolarHBondContact O-CA 3.41Å; A410-D413 WeakPolarHBondContact O-CB 3.49Å; A410-D413 PolarHBondContact O-N 3.07Å; A410-A414 PolarHBondContact O-N 2.76Å; A410-H456 CarbonylContact C-O 3.57Å; A410-H456 WeakPolarHBondContact CA-O 3.26Å
411	Y	97.6	Very high	96.5	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-49	-42.3	173.1	163.8	-92.3	0	0	0	112.3	D413 A414 I415 Q432 F433 G434 D435 I437 H456 F458 P459 L462	Y411-D413 VanDerWaalsContact C-N 3.27Å; Y411-D413 PolarHBondContact O-N 2.77Å; Y411-A414 PolarHBondContact O-N 3.49Å; Y411-A414 VanDerWaalsContact O-N 3.17Å; Y411-I415 HydrophobicContact CD1-CG1 4.34Å; Y411-I415 HydrophobicContact CD2-CG1 4.41Å; Y411-I415 HydrophobicContact CE1-CD1 4.45Å; Y411-I415 HydrophobicContact CE1-CG1 3.82Å; Y411-I415 HydrophobicContact CE2-CD1 3.9Å; Y411-I415 HydrophobicContact CE2-CG1 3.91Å; Y411-I415 WeakPolarHBondContact O-CG1 3.37Å; Y411-I415 PolarHBondContact O-N 3.05Å; Y411-Q432 PolarHBondContact OH-O 3.23Å; Y411-F433 HydrophobicContact CD1-CD2 4.39Å; Y411-F433 HydrophobicContact CD1-CE2 4.41Å; Y411-F433 AromaticContact CE1-CD2 3.9Å; Y411-F433 HydrophobicContact CE1-CD2 3.9Å; Y411-F433 HydrophobicContact CE1-CE2 4.21Å; Y411-G434 PolarHBondContact OH-N 3.02Å; Y411-D435 WeakPolarHBondContact CE2-O 3.47Å; Y411-D435 PolarHBondContact OH-N 2.94Å; Y411-D435 VanDerWaalsContact OH-N 3.15Å; Y411-D435 PolarHBondContact OH-O 3.35Å; Y411-I437 HydrophobicContact CD2-CD1 4.09Å; Y411-I437 HydrophobicContact CE2-CD1 4.09Å; Y411-I437 HydrophobicContact CE2-CG1 4.21Å; Y411-H456 PolarHBondContact N-O 2.99Å; Y411-F458 AromaticContact CD2-CD1 3.73Å; Y411-F458 HydrophobicContact CD2-CD1 3.73Å; Y411-F458 HydrophobicContact CD2-CE1 4.17Å; Y411-F458 HydrophobicContact CG-CD1 4.31Å; Y411-P459 VanDerWaalsContact CD1-CD 3.46Å; Y411-P459 HydrophobicContact CD1-CG 3.71Å; Y411-P459 HydrophobicContact CE1-CG 3.35Å; Y411-P459 HydrophobicContact CE2-CG 4.36Å; Y411-P459 HydrophobicContact CG-CG 4.35Å; Y411-L462 HydrophobicContact CE2-CD1 4.41Å
412	T	96.5	Very high	96.6	Very high	63 Å²	63	58.1 Å²	58.1	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-34.5	177.8	48.3	0	0	0	0	112.9	A410 K416 F433	A410-T412 PolarHBondContact O-N 3.45Å; A410-T412 VanDerWaalsContact O-N 3.16Å; T412-K416 PolarHBondContact O-N 2.97Å; T412-K416 VanDerWaalsContact O-N 3.17Å; T412-F433 HydrophobicContact CG2-CD2 3.97Å; T412-F433 HydrophobicContact CG2-CE2 4.02Å
413	D	97.6	Very high	96.7	Very high	87 Å²	87	58.1 Å²	58.1	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-75	-33.4	177	-60.3	-40.4	0	0	0	111.4	M409 A410 Y411 K416 W417	M409-D413 HydrophobicContact CG-CB 3.91Å; A410-D413 WeakPolarHBondContact CB-OD2 3.4Å; A410-D413 PolarHBondContact N-OD2 3.41Å; A410-D413 WeakPolarHBondContact O-CA 3.41Å; A410-D413 WeakPolarHBondContact O-CB 3.49Å; A410-D413 PolarHBondContact O-N 3.07Å; Y411-D413 VanDerWaalsContact C-N 3.27Å; Y411-D413 PolarHBondContact O-N 2.77Å; D413-K416 PolarHBondContact O-N 3.15Å; D413-W417 WeakPolarHBondContact O-CB 3.46Å; D413-W417 PolarHBondContact O-N 2.92Å
414	A	97.8	Very high	96.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-43.7	173.7	0	0	0	0	0	112	M409 A410 Y411 K416 W417 L418 I437 M445 L455	M409-A414 HydrophobicContact CG-CB 4.41Å; M409-A414 HydrophobicContact SD-CB 3.91Å; A410-A414 PolarHBondContact O-N 2.76Å; Y411-A414 PolarHBondContact O-N 3.49Å; Y411-A414 VanDerWaalsContact O-N 3.17Å; A414-K416 VanDerWaalsContact C-N 3.28Å; A414-K416 PolarHBondContact O-N 3.32Å; A414-W417 WeakPolarHBondContact O-CB 3.12Å; A414-W417 PolarHBondContact O-N 3.36Å; A414-W417 VanDerWaalsContact O-N 3.15Å; A414-L418 VanDerWaalsContact O-CG 3.31Å; A414-L418 WeakPolarHBondContact O-CG 3.06Å; A414-L418 PolarHBondContact O-N 3.41Å; A414-I437 HydrophobicContact CB-CD1 3.92Å; A414-M445 HydrophobicContact CB-CE 4.08Å; A414-M445 HydrophobicContact CB-SD 3.82Å; A414-L455 HydrophobicContact CB-CD1 3.51Å
415	I	97.3	Very high	96.7	Very high	13 Å²	13	56 Å²	56	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-44.9	173.1	-64.8	-69.7	0	0	0	110.6	Y411 L418 N419 F431 I437	Y411-I415 HydrophobicContact CD1-CG1 4.34Å; Y411-I415 HydrophobicContact CD2-CG1 4.41Å; Y411-I415 HydrophobicContact CE1-CD1 4.45Å; Y411-I415 HydrophobicContact CE1-CG1 3.82Å; Y411-I415 HydrophobicContact CE2-CD1 3.9Å; Y411-I415 HydrophobicContact CE2-CG1 3.91Å; Y411-I415 WeakPolarHBondContact O-CG1 3.37Å; Y411-I415 PolarHBondContact O-N 3.05Å; I415-L418 PolarHBondContact O-N 3.39Å; I415-N419 PolarHBondContact O-N 3.23Å; I415-N419 VanDerWaalsContact O-N 3.13Å; I415-N419 PolarHBondContact O-ND2 3.1Å; I415-F431 HydrophobicContact CD1-CB 3.74Å; I415-F431 HydrophobicContact CD1-CD1 4.42Å; I415-F431 HydrophobicContact CD1-CG 4.44Å; I415-F431 HydrophobicContact CG2-CB 4.13Å; I415-F431 WeakPolarHBondContact CG2-O 3.42Å; I415-I437 HydrophobicContact CD1-CD1 3.99Å; I415-I437 HydrophobicContact CD1-CG1 3.98Å; I415-I437 HydrophobicContact CG1-CD1 4.42Å
416	K	97.4	Very high	96.2	Very high	119 Å²	119	59.4 Å²	59.4	52%	0.517	29%	0.288	S	S	.	.	H	α-helix	trans	-60.3	-46.6	175.2	-178.9	-180	171.5	-175	0	111.4	T412 D413 A414 L418 N419 E420	T412-K416 PolarHBondContact O-N 2.97Å; T412-K416 VanDerWaalsContact O-N 3.17Å; D413-K416 PolarHBondContact O-N 3.15Å; A414-K416 VanDerWaalsContact C-N 3.28Å; A414-K416 PolarHBondContact O-N 3.32Å; K416-L418 PolarHBondContact O-N 3.17Å; K416-N419 PolarHBondContact O-N 2.81Å; K416-E420 WeakPolarHBondContact CE-OE1 3.37Å; K416-E420 HydrophobicContact CG-CG 4.35Å; K416-E420 IonicContact NZ-OE1 3.93Å; K416-E420 WeakPolarHBondContact O-CB 3.39Å; K416-E420 VanDerWaalsContact O-CG 3.31Å; K416-E420 WeakPolarHBondContact O-CG 3.48Å; K416-E420 PolarHBondContact O-N 3.08Å
417	W	98	Very high	95.8	Very high	34 Å²	34	63 Å²	63	13%	0.129	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-47	178.3	-172.4	98.8	0	0	0	111.7	D413 A414 N419 E420 H421 V423 M445 T448 I449	D413-W417 WeakPolarHBondContact O-CB 3.46Å; D413-W417 PolarHBondContact O-N 2.92Å; A414-W417 WeakPolarHBondContact O-CB 3.12Å; A414-W417 PolarHBondContact O-N 3.36Å; A414-W417 VanDerWaalsContact O-N 3.15Å; W417-N419 PolarHBondContact O-N 3.46Å; W417-E420 PolarHBondContact O-N 3.1Å; W417-H421 AromaticContact CD1-CE1 3.6Å; W417-H421 AromaticContact CD1-ND1 3.93Å; W417-H421 AromaticContact CD2-CE1 3.77Å; W417-H421 AromaticContact CD2-ND1 3.47Å; W417-H421 AromaticContact CE2-CD2 3.95Å; W417-H421 AromaticContact CE2-CE1 3.26Å; W417-H421 AromaticContact CE2-CG 3.83Å; W417-H421 AromaticContact CE2-ND1 3.39Å; W417-H421 AromaticContact CE2-NE2 3.61Å; W417-H421 HydrophobicContact CE3-CB 4.35Å; W417-H421 AromaticContact CE3-ND1 3.92Å; W417-H421 AromaticContact CG-CE1 3.96Å; W417-H421 AromaticContact CG-ND1 3.82Å; W417-H421 HydrophobicContact CH2-CB 4.09Å; W417-H421 AromaticContact CH2-CD2 3.83Å; W417-H421 AromaticContact CH2-CG 3.74Å; W417-H421 AromaticContact CZ2-CD2 3.53Å; W417-H421 AromaticContact CZ2-CE1 3.66Å; W417-H421 AromaticContact CZ2-CG 3.69Å; W417-H421 AromaticContact CZ2-ND1 3.75Å; W417-H421 AromaticContact CZ2-NE2 3.53Å; W417-H421 HydrophobicContact CZ3-CB 4.01Å; W417-H421 AromaticContact CZ3-CG 3.98Å; W417-H421 AromaticContact NE1-CE1 3.16Å; W417-H421 PolarHBondContact NE1-CE1 3.14Å; W417-H421 AromaticContact NE1-ND1 3.7Å; W417-H421 AromaticContact NE1-NE2 3.69Å; W417-H421 PolarHBondContact O-N 2.95Å; W417-H421 PolarHBondContact O-ND1 3.01Å; W417-V423 HydrophobicContact CZ3-CG2 4.38Å; W417-M445 HydrophobicContact CD2-CB 4.49Å; W417-M445 HydrophobicContact CD2-CG 3.8Å; W417-M445 HydrophobicContact CD2-SD 4.31Å; W417-M445 HydrophobicContact CE3-CB 3.75Å; W417-M445 HydrophobicContact CE3-CG 3.52Å; W417-M445 HydrophobicContact CE3-SD 4.08Å; W417-M445 HydrophobicContact CG-CG 4.49Å; W417-M445 HydrophobicContact CH2-CB 4.11Å; W417-M445 HydrophobicContact CH2-CG 4.28Å; W417-M445 HydrophobicContact CZ2-CG 4.46Å; W417-M445 VanDerWaalsContact CZ3-CA 3.48Å; W417-M445 HydrophobicContact CZ3-CB 3.55Å; W417-M445 HydrophobicContact CZ3-CG 3.79Å; W417-T448 HydrophobicContact CH2-CG2 4.04Å; W417-T448 HydrophobicContact CZ2-CG2 3.81Å; W417-I449 HydrophobicContact CZ2-CG1 4.2Å
418	L	97.6	Very high	95.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-48.9	179.5	-71.4	169.3	0	0	0	111.3	A414 I415 K416 H421 G422 V423 F431 I437 P441 M445	A414-L418 VanDerWaalsContact O-CG 3.31Å; A414-L418 WeakPolarHBondContact O-CG 3.06Å; A414-L418 PolarHBondContact O-N 3.41Å; I415-L418 PolarHBondContact O-N 3.39Å; K416-L418 PolarHBondContact O-N 3.17Å; L418-H421 PolarHBondContact O-N 3.12Å; L418-G422 PolarHBondContact O-N 3.35Å; L418-V423 HydrophobicContact CB-CB 4.26Å; L418-V423 HydrophobicContact CD2-CB 3.89Å; L418-V423 HydrophobicContact CD2-CG1 3.87Å; L418-V423 HydrophobicContact CD2-CG2 4.17Å; L418-V423 WeakPolarHBondContact O-CB 3.35Å; L418-V423 PolarHBondContact O-N 3.3Å; L418-F431 HydrophobicContact CB-CD2 4.07Å; L418-F431 HydrophobicContact CD1-CD1 4.37Å; L418-F431 HydrophobicContact CD1-CD2 4.03Å; L418-F431 HydrophobicContact CD1-CE2 4.27Å; L418-F431 HydrophobicContact CD1-CG 4.09Å; L418-I437 HydrophobicContact CD1-CD1 3.99Å; L418-I437 HydrophobicContact CD1-CG1 4.08Å; L418-I437 HydrophobicContact CD1-CG2 3.87Å; L418-P441 HydrophobicContact CD1-CB 4.49Å; L418-P441 HydrophobicContact CD2-CB 3.79Å; L418-M445 HydrophobicContact CD2-CB 4.39Å
419	N	97.1	Very high	95.2	Very high	50 Å²	50	61 Å²	61	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-39.8	179.6	-67	-22.2	0	0	0	111.9	I415 K416 W417 H421 G422 D430 F431	I415-N419 PolarHBondContact O-N 3.23Å; I415-N419 VanDerWaalsContact O-N 3.13Å; I415-N419 PolarHBondContact O-ND2 3.1Å; K416-N419 PolarHBondContact O-N 2.81Å; W417-N419 PolarHBondContact O-N 3.46Å; N419-H421 VanDerWaalsContact C-N 3.29Å; N419-H421 PolarHBondContact O-N 3.18Å; N419-G422 PolarHBondContact O-N 3.39Å; N419-D430 WeakPolarHBondContact OD1-CB 3.17Å; N419-D430 PolarHBondContact OD1-OD1 3.12Å; N419-F431 PolarHBondContact ND2-O 3.29Å; N419-F431 PolarHBondContact OD1-N 2.83Å
420	E	97.2	Very high	95	Very high	129 Å²	129	63.3 Å²	63.3	60%	0.603	33%	0.332	S	S	*	.	H	α-helix	trans	-66.5	-28.1	176.7	-75	177.1	169.9	0	0	113	K416 W417 G422	K416-E420 WeakPolarHBondContact CE-OE1 3.37Å; K416-E420 HydrophobicContact CG-CG 4.35Å; K416-E420 IonicContact NZ-OE1 3.93Å; K416-E420 WeakPolarHBondContact O-CB 3.39Å; K416-E420 VanDerWaalsContact O-CG 3.31Å; K416-E420 WeakPolarHBondContact O-CG 3.48Å; K416-E420 PolarHBondContact O-N 3.08Å; W417-E420 PolarHBondContact O-N 3.1Å; E420-G422 VanDerWaalsContact C-N 3.35Å
421	H	96.9	Very high	94.9	Very high	101 Å²	101	63 Å²	63	47%	0.468	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.9	176.2	-68.5	72.2	0	0	0	113.2	W417 L418 N419 V423	W417-H421 AromaticContact CD1-CE1 3.6Å; W417-H421 AromaticContact CD1-ND1 3.93Å; W417-H421 AromaticContact CD2-CE1 3.77Å; W417-H421 AromaticContact CD2-ND1 3.47Å; W417-H421 AromaticContact CE2-CD2 3.95Å; W417-H421 AromaticContact CE2-CE1 3.26Å; W417-H421 AromaticContact CE2-CG 3.83Å; W417-H421 AromaticContact CE2-ND1 3.39Å; W417-H421 AromaticContact CE2-NE2 3.61Å; W417-H421 HydrophobicContact CE3-CB 4.35Å; W417-H421 AromaticContact CE3-ND1 3.92Å; W417-H421 AromaticContact CG-CE1 3.96Å; W417-H421 AromaticContact CG-ND1 3.82Å; W417-H421 HydrophobicContact CH2-CB 4.09Å; W417-H421 AromaticContact CH2-CD2 3.83Å; W417-H421 AromaticContact CH2-CG 3.74Å; W417-H421 AromaticContact CZ2-CD2 3.53Å; W417-H421 AromaticContact CZ2-CE1 3.66Å; W417-H421 AromaticContact CZ2-CG 3.69Å; W417-H421 AromaticContact CZ2-ND1 3.75Å; W417-H421 AromaticContact CZ2-NE2 3.53Å; W417-H421 HydrophobicContact CZ3-CB 4.01Å; W417-H421 AromaticContact CZ3-CG 3.98Å; W417-H421 AromaticContact NE1-CE1 3.16Å; W417-H421 PolarHBondContact NE1-CE1 3.14Å; W417-H421 AromaticContact NE1-ND1 3.7Å; W417-H421 AromaticContact NE1-NE2 3.69Å; W417-H421 PolarHBondContact O-N 2.95Å; W417-H421 PolarHBondContact O-ND1 3.01Å; L418-H421 PolarHBondContact O-N 3.12Å; N419-H421 VanDerWaalsContact C-N 3.29Å; N419-H421 PolarHBondContact O-N 3.18Å; H421-V423 HydrophobicContact CB-CG2 4.19Å; H421-V423 PolarHBondContact O-N 2.66Å
422	G	95.4	Very high	94.7	Very high	49 Å²	49	68.9 Å²	68.9	51%	0.505	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	19.6	178.4	0	0	0	0	0	114.2	L418 N419 E420 K424	L418-G422 PolarHBondContact O-N 3.35Å; N419-G422 PolarHBondContact O-N 3.39Å; E420-G422 VanDerWaalsContact C-N 3.35Å; G422-K424 PolarHBondContact O-N 3.03Å
423	V	95.6	Very high	94.5	Very high	18 Å²	18	71.1 Å²	71.1	11%	0.109	36%	0.36	C	S	.	.			trans	-78.1	118.1	175.8	-171.8	0	0	0	0	108.4	W417 L418 H421 F431 P441 L444	W417-V423 HydrophobicContact CZ3-CG2 4.38Å; L418-V423 HydrophobicContact CB-CB 4.26Å; L418-V423 HydrophobicContact CD2-CB 3.89Å; L418-V423 HydrophobicContact CD2-CG1 3.87Å; L418-V423 HydrophobicContact CD2-CG2 4.17Å; L418-V423 WeakPolarHBondContact O-CB 3.35Å; L418-V423 PolarHBondContact O-N 3.3Å; H421-V423 HydrophobicContact CB-CG2 4.19Å; H421-V423 PolarHBondContact O-N 2.66Å; V423-F431 HydrophobicContact CG1-CE2 4.26Å; V423-P441 HydrophobicContact CG1-CB 3.82Å; V423-L444 HydrophobicContact CG1-CD2 4.27Å; V423-L444 HydrophobicContact CG2-CD2 3.71Å
424	K	92.4	Very high	94.2	Very high	97 Å²	97	68 Å²	68	42%	0.422	35%	0.347	S	S	.	.			trans	-104.9	158.8	-178.7	-57.2	-62.3	-174.7	179.8	0	110.9	G422 D430	G422-K424 PolarHBondContact O-N 3.03Å; K424-D430 IonicContact NZ-OD1 2.58Å; K424-D430 PolarHBondContact NZ-OD1 2.79Å; K424-D430 IonicContact NZ-OD2 2.99Å; K424-D430 PolarHBondContact NZ-OD2 2.93Å
425	K	92.5	Very high	94	Very high	46 Å²	46	69.9 Å²	69.9	20%	0.2	36%	0.358	C	S	.	.			trans	-64.6	166.3	165.7	-69.8	-173.3	-62	-169.4	0	110.8	D427 G428 F429 D430 F431 D435	K425-D427 WeakPolarHBondContact CB-OD1 3.31Å; K425-D427 PolarHBondContact O-N 3.41Å; K425-G428 WeakPolarHBondContact O-CA 3.36Å; K425-G428 PolarHBondContact O-N 3.08Å; K425-F429 PolarHBondContact N-O 3.02Å; K425-D430 VanDerWaalsContact CE-O 3.31Å; K425-D430 WeakPolarHBondContact CE-O 3.44Å; K425-F431 HydrophobicContact CB-CZ 4.42Å; K425-F431 HydrophobicContact CD-CD1 4.15Å; K425-F431 HydrophobicContact CD-CE1 4.29Å; K425-F431 HydrophobicContact CG-CD1 3.71Å; K425-F431 HydrophobicContact CG-CD2 4.08Å; K425-F431 HydrophobicContact CG-CE1 3.53Å; K425-F431 HydrophobicContact CG-CE2 3.91Å; K425-F431 HydrophobicContact CG-CG 3.97Å; K425-F431 HydrophobicContact CG-CZ 3.62Å; K425-D435 WeakPolarHBondContact CD-OD2 3.34Å; K425-D435 IonicContact NZ-OD1 2.81Å; K425-D435 IonicContact NZ-OD2 3.87Å; K425-D435 PolarHBondContact NZ-OD2 3.25Å
426	E	85.4	Confident	93.7	Very high	176 Å²	176	74 Å²	74	82%	0.822	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.1	176.9	-65.3	-171.8	168.4	0	0	112.8	G428	E426-G428 PolarHBondContact O-N 3.08Å
427	D	88.2	Confident	93.5	Very high	85 Å²	85	68.7 Å²	68.7	46%	0.455	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.1	174.8	66.5	5.5	0	0	0	113.9	K425 F429	K425-D427 WeakPolarHBondContact CB-OD1 3.31Å; K425-D427 PolarHBondContact O-N 3.41Å; D427-F429 HydrophobicContact CB-CD2 4.12Å; D427-F429 VanDerWaalsContact CG-CD2 3.5Å; D427-F429 PolarHBondContact OD1-N 2.85Å
428	G	89.7	Confident	93.2	Very high	47 Å²	47	69.9 Å²	69.9	49%	0.485	37%	0.369	S	S	.	.	S	Bend	trans	84.6	-1.6	178.7	0	0	0	0	0	115.5	K425 E426	K425-G428 WeakPolarHBondContact O-CA 3.36Å; K425-G428 PolarHBondContact O-N 3.08Å; E426-G428 PolarHBondContact O-N 3.08Å
429	F	92.7	Very high	92.7	Very high	136 Å²	136	71.2 Å²	71.2	60%	0.596	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-84.4	160.4	178.5	-67.8	-83.4	0	0	0	112.4	K425 D427	K425-F429 PolarHBondContact N-O 3.02Å; D427-F429 HydrophobicContact CB-CD2 4.12Å; D427-F429 VanDerWaalsContact CG-CD2 3.5Å; D427-F429 PolarHBondContact OD1-N 2.85Å
430	D	94.2	Very high	92.4	Very high	63 Å²	63	72.2 Å²	72.2	34%	0.337	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-65.2	149.8	168.7	-74.9	-54.9	0	0	0	111.2	N419 K424 K425	N419-D430 WeakPolarHBondContact OD1-CB 3.17Å; N419-D430 PolarHBondContact OD1-OD1 3.12Å; K424-D430 IonicContact NZ-OD1 2.58Å; K424-D430 PolarHBondContact NZ-OD1 2.79Å; K424-D430 IonicContact NZ-OD2 2.99Å; K424-D430 PolarHBondContact NZ-OD2 2.93Å; K425-D430 VanDerWaalsContact CE-O 3.31Å; K425-D430 WeakPolarHBondContact CE-O 3.44Å
431	F	94.9	Very high	92.2	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.035	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-69.7	136.6	172.3	-73.5	-91.2	0	0	0	110	I415 L418 N419 V423 K425 D435 P441	I415-F431 HydrophobicContact CD1-CB 3.74Å; I415-F431 HydrophobicContact CD1-CD1 4.42Å; I415-F431 HydrophobicContact CD1-CG 4.44Å; I415-F431 HydrophobicContact CG2-CB 4.13Å; I415-F431 WeakPolarHBondContact CG2-O 3.42Å; L418-F431 HydrophobicContact CB-CD2 4.07Å; L418-F431 HydrophobicContact CD1-CD1 4.37Å; L418-F431 HydrophobicContact CD1-CD2 4.03Å; L418-F431 HydrophobicContact CD1-CE2 4.27Å; L418-F431 HydrophobicContact CD1-CG 4.09Å; N419-F431 PolarHBondContact ND2-O 3.29Å; N419-F431 PolarHBondContact OD1-N 2.83Å; V423-F431 HydrophobicContact CG1-CE2 4.26Å; K425-F431 HydrophobicContact CB-CZ 4.42Å; K425-F431 HydrophobicContact CD-CD1 4.15Å; K425-F431 HydrophobicContact CD-CE1 4.29Å; K425-F431 HydrophobicContact CG-CD1 3.71Å; K425-F431 HydrophobicContact CG-CD2 4.08Å; K425-F431 HydrophobicContact CG-CE1 3.53Å; K425-F431 HydrophobicContact CG-CE2 3.91Å; K425-F431 HydrophobicContact CG-CG 3.97Å; K425-F431 HydrophobicContact CG-CZ 3.62Å; F431-D435 HydrophobicContact CD1-CB 4.38Å; F431-P441 HydrophobicContact CE1-CG 4.41Å; F431-P441 HydrophobicContact CE2-CB 4.35Å; F431-P441 HydrophobicContact CZ-CB 4.01Å; F431-P441 HydrophobicContact CZ-CG 3.82Å
432	Q	94.3	Very high	92.1	Very high	125 Å²	125	62.3 Å²	62.3	58%	0.584	35%	0.346	S	S	*	.			trans	-118.3	162.1	179.5	-61.5	-174.2	-4.4	0	0	111.3	Y411 G434 D435	Y411-Q432 PolarHBondContact OH-O 3.23Å; Q432-G434 PolarHBondContact O-N 3.33Å; Q432-D435 PolarHBondContact N-OD2 3.22Å; Q432-D435 VanDerWaalsContact O-CB 3.31Å; Q432-D435 WeakPolarHBondContact O-CB 3.36Å; Q432-D435 PolarHBondContact O-N 3.46Å
433	F	92.9	Very high	92	Very high	111 Å²	111	61.1 Å²	61.1	49%	0.487	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	125.4	172.5	-179.2	-88.4	0	0	0	110.6	Y411 T412 P459 L476	Y411-F433 HydrophobicContact CD1-CD2 4.39Å; Y411-F433 HydrophobicContact CD1-CE2 4.41Å; Y411-F433 AromaticContact CE1-CD2 3.9Å; Y411-F433 HydrophobicContact CE1-CD2 3.9Å; Y411-F433 HydrophobicContact CE1-CE2 4.21Å; T412-F433 HydrophobicContact CG2-CD2 3.97Å; T412-F433 HydrophobicContact CG2-CE2 4.02Å; F433-P459 HydrophobicContact CE1-CB 4.41Å; F433-P459 HydrophobicContact CE1-CG 4.37Å; F433-P459 HydrophobicContact CE2-CG 4.07Å; F433-P459 HydrophobicContact CZ-CB 4.16Å; F433-P459 HydrophobicContact CZ-CG 3.95Å; F433-L476 HydrophobicContact CE2-CD2 3.81Å; F433-L476 HydrophobicContact CZ-CD2 3.82Å
434	G	90.9	Very high	91.9	Very high	20 Å²	20	64.3 Å²	64.3	21%	0.206	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-3.1	-176.4	0	0	0	0	0	114.2	Y411 Q432 L462	Y411-G434 PolarHBondContact OH-N 3.02Å; Q432-G434 PolarHBondContact O-N 3.33Å; G434-L462 WeakPolarHBondContact O-CD2 3.28Å
435	D	92.9	Very high	92.2	Very high	40 Å²	40	59.7 Å²	59.7	21%	0.214	32%	0.322	C	S	.	.			trans	-77	140.3	166	-69.7	-18.7	0	0	0	109.8	Y411 K425 F431 Q432 L462	Y411-D435 WeakPolarHBondContact CE2-O 3.47Å; Y411-D435 PolarHBondContact OH-N 2.94Å; Y411-D435 VanDerWaalsContact OH-N 3.15Å; Y411-D435 PolarHBondContact OH-O 3.35Å; K425-D435 WeakPolarHBondContact CD-OD2 3.34Å; K425-D435 IonicContact NZ-OD1 2.81Å; K425-D435 IonicContact NZ-OD2 3.87Å; K425-D435 PolarHBondContact NZ-OD2 3.25Å; F431-D435 HydrophobicContact CD1-CB 4.38Å; Q432-D435 PolarHBondContact N-OD2 3.22Å; Q432-D435 VanDerWaalsContact O-CB 3.31Å; Q432-D435 WeakPolarHBondContact O-CB 3.36Å; Q432-D435 PolarHBondContact O-N 3.46Å; D435-L462 WeakPolarHBondContact O-CD1 3.24Å
436	D	91.5	Very high	92.3	Very high	100 Å²	100	57.5 Å²	57.5	54%	0.535	31%	0.312	S	S	.	.			trans	-67.7	156.1	167.4	-172	34.3	0	0	0	110.6	P438 L462	D436-P438 WeakPolarHBondContact O-CD 3.45Å; D436-L462 HydrophobicContact CB-CD2 4.42Å
437	I	93.7	Very high	92.8	Very high	8 Å²	8	52 Å²	52	4%	0.041	29%	0.289	C	S	.	.			trans	-109.8	97.1	173.9	-57.9	175.2	0	0	0	107.8	Y411 A414 I415 L418 P441 E442 L455	Y411-I437 HydrophobicContact CD2-CD1 4.09Å; Y411-I437 HydrophobicContact CE2-CD1 4.09Å; Y411-I437 HydrophobicContact CE2-CG1 4.21Å; A414-I437 HydrophobicContact CB-CD1 3.92Å; I415-I437 HydrophobicContact CD1-CD1 3.99Å; I415-I437 HydrophobicContact CD1-CG1 3.98Å; I415-I437 HydrophobicContact CG1-CD1 4.42Å; L418-I437 HydrophobicContact CD1-CD1 3.99Å; L418-I437 HydrophobicContact CD1-CG1 4.08Å; L418-I437 HydrophobicContact CD1-CG2 3.87Å; I437-P441 HydrophobicContact CG2-CB 4.29Å; I437-P441 HydrophobicContact CG2-CG 4.11Å; I437-E442 HydrophobicContact CG2-CB 4.16Å; I437-L455 HydrophobicContact CD1-CD2 4.46Å
438	P	90.7	Very high	93.2	Very high	59 Å²	59	51.8 Å²	51.8	38%	0.383	29%	0.29	S	S	.	.			trans	-63.8	171.1	-177.4	-24.2	33.9	0	0	0	114.2	D436 A440 P441 E442	D436-P438 WeakPolarHBondContact O-CD 3.45Å; P438-A440 VanDerWaalsContact C-N 3.33Å; P438-A440 PolarHBondContact O-N 2.68Å; P438-P441 HydrophobicContact CB-CG 4.27Å; P438-P441 HydrophobicContact CG-CG 4.47Å; P438-P441 WeakPolarHBondContact O-CD 3.39Å; P438-P441 WeakPolarHBondContact O-CG 3.22Å; P438-E442 VanDerWaalsContact O-CB 3.29Å; P438-E442 WeakPolarHBondContact O-CB 3.43Å; P438-E442 PolarHBondContact O-N 3.37Å; P438-E442 VanDerWaalsContact O-N 3.07Å
439	E	88	Confident	93.5	Very high	28 Å²	28	51.3 Å²	51.3	13%	0.131	28%	0.276	C	S	.	.	H	α-helix	trans	-51.5	-45.4	-177.4	-176.9	178.8	161.5	0	0	113.9	R347 R348 R443	R347-E439 IonicContact NH2-OE1 3.12Å; R348-E439 WeakPolarHBondContact CD-OE2 3.32Å; R348-E439 WeakPolarHBondContact CG-OE2 3.24Å; R348-E439 IonicContact CZ-OE2 3.8Å; R348-E439 IonicContact NE-OE2 3.21Å; R348-E439 PolarHBondContact NE-OE2 2.53Å; R348-E439 VanDerWaalsContact NE-OE2 3.14Å; E439-R443 HydrophobicContact CG-CG 4.21Å; E439-R443 VanDerWaalsContact O-CB 3.29Å; E439-R443 WeakPolarHBondContact O-CB 3.18Å; E439-R443 VanDerWaalsContact O-CG 3.27Å; E439-R443 WeakPolarHBondContact O-CG 3.16Å; E439-R443 PolarHBondContact O-N 3.32Å; E439-R443 IonicContact OE1-CZ 3.21Å; E439-R443 IonicContact OE1-NE 2.73Å; E439-R443 PolarHBondContact OE1-NE 2.89Å; E439-R443 IonicContact OE1-NH2 2.76Å; E439-R443 PolarHBondContact OE1-NH2 3.33Å; E439-R443 VanDerWaalsContact OE1-NH2 3.16Å
440	A	89.7	Confident	93.5	Very high	70 Å²	70	50.3 Å²	50.3	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-64.7	-53.9	-174.9	0	0	0	0	0	113.3	P438 R443 L444	P438-A440 VanDerWaalsContact C-N 3.33Å; P438-A440 PolarHBondContact O-N 2.68Å; A440-R443 PolarHBondContact O-N 2.79Å; A440-L444 WeakPolarHBondContact O-CB 3.29Å; A440-L444 PolarHBondContact O-N 2.88Å
441	P	94.1	Very high	93.5	Very high	15 Å²	15	50.6 Å²	50.6	10%	0.097	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-36.5	175	23.5	-33.3	0	0	0	112.8	L418 V423 F431 I437 P438 L444 M445	L418-P441 HydrophobicContact CD1-CB 4.49Å; L418-P441 HydrophobicContact CD2-CB 3.79Å; V423-P441 HydrophobicContact CG1-CB 3.82Å; F431-P441 HydrophobicContact CE1-CG 4.41Å; F431-P441 HydrophobicContact CE2-CB 4.35Å; F431-P441 HydrophobicContact CZ-CB 4.01Å; F431-P441 HydrophobicContact CZ-CG 3.82Å; I437-P441 HydrophobicContact CG2-CB 4.29Å; I437-P441 HydrophobicContact CG2-CG 4.11Å; P438-P441 HydrophobicContact CB-CG 4.27Å; P438-P441 HydrophobicContact CG-CG 4.47Å; P438-P441 WeakPolarHBondContact O-CD 3.39Å; P438-P441 WeakPolarHBondContact O-CG 3.22Å; P441-L444 PolarHBondContact O-N 2.94Å; P441-M445 WeakPolarHBondContact O-CB 3.47Å; P441-M445 PolarHBondContact O-N 3.08Å
442	E	95.1	Very high	93.6	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-50.6	174.9	-179.9	-168.3	94	0	0	111.7	R348 I437 P438 M445 T446 L483 G488 E489	R348-E442 IonicContact NH1-OE1 2.75Å; R348-E442 PolarHBondContact NH1-OE1 3.28Å; I437-E442 HydrophobicContact CG2-CB 4.16Å; P438-E442 VanDerWaalsContact O-CB 3.29Å; P438-E442 WeakPolarHBondContact O-CB 3.43Å; P438-E442 PolarHBondContact O-N 3.37Å; P438-E442 VanDerWaalsContact O-N 3.07Å; E442-M445 PolarHBondContact O-N 3.3Å; E442-T446 WeakPolarHBondContact O-CB 3.44Å; E442-T446 PolarHBondContact O-N 2.58Å; E442-T446 PolarHBondContact O-OG1 3.2Å; E442-L483 VanDerWaalsContact CD-CD2 3.48Å; E442-L483 HydrophobicContact CG-CD1 3.78Å; E442-L483 HydrophobicContact CG-CD2 3.71Å; E442-L483 HydrophobicContact CG-CG 4.33Å; E442-G488 WeakPolarHBondContact OE1-CA 3.4Å; E442-E489 WeakPolarHBondContact OE1-CB 3.31Å; E442-E489 PolarHBondContact OE1-N 3.39Å
443	R	92.2	Very high	93.8	Very high	23 Å²	23	45.1 Å²	45.1	9%	0.087	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-46.5	176.7	-77.8	176.5	174.4	-97	1.4	111.3	E439 A440 M445 T446 D447 N486 V487	E439-R443 HydrophobicContact CG-CG 4.21Å; E439-R443 VanDerWaalsContact O-CB 3.29Å; E439-R443 WeakPolarHBondContact O-CB 3.18Å; E439-R443 VanDerWaalsContact O-CG 3.27Å; E439-R443 WeakPolarHBondContact O-CG 3.16Å; E439-R443 PolarHBondContact O-N 3.32Å; E439-R443 IonicContact OE1-CZ 3.21Å; E439-R443 IonicContact OE1-NE 2.73Å; E439-R443 PolarHBondContact OE1-NE 2.89Å; E439-R443 IonicContact OE1-NH2 2.76Å; E439-R443 PolarHBondContact OE1-NH2 3.33Å; E439-R443 VanDerWaalsContact OE1-NH2 3.16Å; A440-R443 PolarHBondContact O-N 2.79Å; R443-M445 VanDerWaalsContact C-N 3.3Å; R443-M445 PolarHBondContact O-N 3.36Å; R443-T446 PolarHBondContact O-N 3.2Å; R443-D447 VanDerWaalsContact O-CB 3.24Å; R443-D447 WeakPolarHBondContact O-CB 3.2Å; R443-D447 PolarHBondContact O-N 3.34Å; R443-N486 PolarHBondContact NH1-O 2.55Å; R443-V487 PolarHBondContact NE-O 2.83Å; R443-V487 PolarHBondContact NH1-O 3.31Å; R443-V487 PolarHBondContact NH2-O 2.89Å
444	L	94.7	Very high	94	Very high	86 Å²	86	39.9 Å²	39.9	45%	0.45	23%	0.23	S	C	.	.	H	α-helix	trans	-58	-45.2	179.5	178.7	61.7	0	0	0	111.1	V423 A440 P441 T448	V423-L444 HydrophobicContact CG1-CD2 4.27Å; V423-L444 HydrophobicContact CG2-CD2 3.71Å; A440-L444 WeakPolarHBondContact O-CB 3.29Å; A440-L444 PolarHBondContact O-N 2.88Å; P441-L444 PolarHBondContact O-N 2.94Å; L444-T448 WeakPolarHBondContact O-CB 3.44Å; L444-T448 PolarHBondContact O-N 2.99Å; L444-T448 PolarHBondContact O-OG1 2.79Å
445	M	97.7	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-51.2	175	176.9	179	70.4	0	0	111.5	M409 A414 W417 L418 P441 E442 R443 D447 T448 I449 L483	M409-M445 HydrophobicContact SD-CE 4.43Å; M409-M445 HydrophobicContact SD-SD 3.9Å; A414-M445 HydrophobicContact CB-CE 4.08Å; A414-M445 HydrophobicContact CB-SD 3.82Å; W417-M445 HydrophobicContact CD2-CB 4.49Å; W417-M445 HydrophobicContact CD2-CG 3.8Å; W417-M445 HydrophobicContact CD2-SD 4.31Å; W417-M445 HydrophobicContact CE3-CB 3.75Å; W417-M445 HydrophobicContact CE3-CG 3.52Å; W417-M445 HydrophobicContact CE3-SD 4.08Å; W417-M445 HydrophobicContact CG-CG 4.49Å; W417-M445 HydrophobicContact CH2-CB 4.11Å; W417-M445 HydrophobicContact CH2-CG 4.28Å; W417-M445 HydrophobicContact CZ2-CG 4.46Å; W417-M445 VanDerWaalsContact CZ3-CA 3.48Å; W417-M445 HydrophobicContact CZ3-CB 3.55Å; W417-M445 HydrophobicContact CZ3-CG 3.79Å; L418-M445 HydrophobicContact CD2-CB 4.39Å; P441-M445 WeakPolarHBondContact O-CB 3.47Å; P441-M445 PolarHBondContact O-N 3.08Å; E442-M445 PolarHBondContact O-N 3.3Å; R443-M445 VanDerWaalsContact C-N 3.3Å; R443-M445 PolarHBondContact O-N 3.36Å; M445-D447 PolarHBondContact O-N 3.47Å; M445-T448 PolarHBondContact O-N 2.9Å; M445-I449 HydrophobicContact CG-CD1 3.78Å; M445-I449 WeakPolarHBondContact O-CB 3.48Å; M445-I449 VanDerWaalsContact O-CG1 3.31Å; M445-I449 WeakPolarHBondContact O-CG1 3.33Å; M445-I449 PolarHBondContact O-N 2.79Å; M445-L483 HydrophobicContact CE-CD1 3.8Å
446	T	95.7	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-41	-176.9	-51.1	0	0	0	0	112	E442 R443 N450 L483 M484 P485	E442-T446 WeakPolarHBondContact O-CB 3.44Å; E442-T446 PolarHBondContact O-N 2.58Å; E442-T446 PolarHBondContact O-OG1 3.2Å; R443-T446 PolarHBondContact O-N 3.2Å; T446-N450 WeakPolarHBondContact O-CA 3.28Å; T446-N450 PolarHBondContact O-N 3Å; T446-L483 HydrophobicContact CG2-CB 3.86Å; T446-L483 WeakPolarHBondContact OG1-CB 3.29Å; T446-M484 VanDerWaalsContact CG2-C 3.48Å; T446-P485 HydrophobicContact CG2-CG 4.32Å
447	D	94.2	Very high	94.9	Very high	61 Å²	61	33.8 Å²	33.8	33%	0.326	19%	0.192	S	C	.	.	H	α-helix	trans	-73.1	-33.1	179.9	-68.1	-15.8	0	0	0	111.9	R443 M445 N450 P485 N486	R443-D447 VanDerWaalsContact O-CB 3.24Å; R443-D447 WeakPolarHBondContact O-CB 3.2Å; R443-D447 PolarHBondContact O-N 3.34Å; M445-D447 PolarHBondContact O-N 3.47Å; D447-N450 WeakPolarHBondContact O-CB 3.35Å; D447-P485 WeakPolarHBondContact OD1-CA 3.41Å; D447-N486 PolarHBondContact OD1-N 3.38Å
448	T	96.7	Very high	95.1	Very high	79 Å²	79	33.9 Å²	33.9	49%	0.485	19%	0.192	S	C	.	.	H	α-helix	trans	-71.3	-42.3	175.9	-57.5	0	0	0	0	111.2	W417 L444 M445 N450	W417-T448 HydrophobicContact CH2-CG2 4.04Å; W417-T448 HydrophobicContact CZ2-CG2 3.81Å; L444-T448 WeakPolarHBondContact O-CB 3.44Å; L444-T448 PolarHBondContact O-N 2.99Å; L444-T448 PolarHBondContact O-OG1 2.79Å; M445-T448 PolarHBondContact O-N 2.9Å; T448-N450 VanDerWaalsContact C-N 3.35Å
449	I	96.2	Very high	95.3	Very high	37 Å²	37	31.1 Å²	31.1	19%	0.19	17%	0.174	C	C	.	.	H	α-helix	trans	-71.3	-35.3	175	-64.6	169.6	0	0	0	110.4	M409 W417 M445 E451 I453	M409-I449 HydrophobicContact CE-CD1 3.64Å; W417-I449 HydrophobicContact CZ2-CG1 4.2Å; M445-I449 HydrophobicContact CG-CD1 3.78Å; M445-I449 WeakPolarHBondContact O-CB 3.48Å; M445-I449 VanDerWaalsContact O-CG1 3.31Å; M445-I449 WeakPolarHBondContact O-CG1 3.33Å; M445-I449 PolarHBondContact O-N 2.79Å; I449-E451 HydrophobicContact CG2-CG 3.92Å; I449-E451 PolarHBondContact O-N 3.34Å; I449-I453 HydrophobicContact CB-CD1 4.15Å; I449-I453 HydrophobicContact CD1-CD1 3.57Å; I449-I453 HydrophobicContact CG1-CD1 4.45Å; I449-I453 HydrophobicContact CG2-CD1 4.11Å
450	N	93.6	Very high	95.5	Very high	115 Å²	115	30.3 Å²	30.3	62%	0.615	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	37.2	173.7	-165	33.1	0	0	0	114.9	T446 D447 T448	T446-N450 WeakPolarHBondContact O-CA 3.28Å; T446-N450 PolarHBondContact O-N 3Å; D447-N450 WeakPolarHBondContact O-CB 3.35Å; T448-N450 VanDerWaalsContact C-N 3.35Å
451	E	94.2	Very high	95.5	Very high	70 Å²	70	31.4 Å²	31.4	33%	0.327	17%	0.171	S	C	.	.	S	Bend	trans	-145.7	163.1	169.9	78.6	-162.2	147.6	0	0	110.8	R407 I449 I453	R407-E451 HydrophobicContact CB-CG 4.31Å; R407-E451 IonicContact CZ-OE1 3.61Å; R407-E451 IonicContact NE-OE1 3.48Å; R407-E451 PolarHBondContact NE-OE1 2.94Å; R407-E451 IonicContact NH2-OE1 2.76Å; R407-E451 PolarHBondContact NH2-OE1 3.27Å; I449-E451 HydrophobicContact CG2-CG 3.92Å; I449-E451 PolarHBondContact O-N 3.34Å; E451-I453 WeakPolarHBondContact O-CG1 3.46Å
452	P	96.8	Very high	95.2	Very high	18 Å²	18	33.8 Å²	33.8	12%	0.117	18%	0.183	C	C	.	.			trans	-60.8	133.3	173.8	-25	35.8	0	0	0	112.9	P402 F406 R407 L482 L483 M484	P402-P452 HydrophobicContact CB-CG 3.71Å; F406-P452 HydrophobicContact CB-CB 4.25Å; F406-P452 HydrophobicContact CD1-CB 3.94Å; F406-P452 HydrophobicContact CD1-CG 4.23Å; F406-P452 HydrophobicContact CD2-CB 3.69Å; F406-P452 HydrophobicContact CE1-CB 4.2Å; F406-P452 HydrophobicContact CE1-CG 4.15Å; F406-P452 HydrophobicContact CE2-CB 3.93Å; F406-P452 HydrophobicContact CE2-CG 4.49Å; F406-P452 HydrophobicContact CG-CB 3.69Å; F406-P452 HydrophobicContact CG-CG 4.47Å; F406-P452 HydrophobicContact CZ-CB 4.19Å; F406-P452 HydrophobicContact CZ-CG 4.28Å; R407-P452 PolarHBondContact N-O 3.12Å; P452-L482 HydrophobicContact CB-CD1 4.3Å; P452-L483 WeakPolarHBondContact CA-O 3.06Å; P452-M484 HydrophobicContact CB-CE 4.41Å; P452-M484 HydrophobicContact CB-SD 3.64Å; P452-M484 HydrophobicContact CG-CE 3.95Å; P452-M484 HydrophobicContact CG-SD 3.83Å
453	I	98.2	Very high	94.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.5	-178.8	-50.3	175.6	0	0	0	109.8	R407 M409 I449 E451 L455 L483	R407-I453 CarbonylContact O-C 3.53Å; R407-I453 WeakPolarHBondContact O-CA 3.36Å; M409-I453 HydrophobicContact CB-CG2 3.73Å; I449-I453 HydrophobicContact CB-CD1 4.15Å; I449-I453 HydrophobicContact CD1-CD1 3.57Å; I449-I453 HydrophobicContact CG1-CD1 4.45Å; I449-I453 HydrophobicContact CG2-CD1 4.11Å; E451-I453 WeakPolarHBondContact O-CG1 3.46Å; I453-L455 PolarHBondContact O-N 2.62Å; I453-L483 HydrophobicContact CB-CB 4.28Å; I453-L483 PolarHBondContact N-O 3.49Å; I453-L483 PolarHBondContact O-N 2.84Å
454	F	98.3	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	96.7	158.1	-70.1	-47	0	0	0	109	L369 L372 E373 F406 R407 R408 M409 H456 V480 L482	L369-F454 HydrophobicContact CD2-CB 4.4Å; L369-F454 HydrophobicContact CD2-CD1 4.47Å; L369-F454 HydrophobicContact CD2-CD2 4.4Å; L369-F454 HydrophobicContact CD2-CG 4.2Å; L372-F454 HydrophobicContact CB-CE1 3.7Å; L372-F454 HydrophobicContact CB-CZ 3.73Å; L372-F454 HydrophobicContact CD1-CE1 4.24Å; E373-F454 HydrophobicContact CB-CE2 3.94Å; E373-F454 HydrophobicContact CB-CZ 3.86Å; F406-F454 HydrophobicContact CB-CD2 3.88Å; F406-F454 HydrophobicContact CB-CE2 3.75Å; F406-F454 HydrophobicContact CB-CZ 4.38Å; F406-F454 HydrophobicContact CD2-CE1 4.19Å; F406-F454 AromaticContact CD2-CE2 3.91Å; F406-F454 HydrophobicContact CD2-CE2 3.91Å; F406-F454 AromaticContact CD2-CZ 3.67Å; F406-F454 HydrophobicContact CD2-CZ 3.67Å; F406-F454 HydrophobicContact CE2-CZ 4.42Å; F406-F454 HydrophobicContact CG-CE2 4.2Å; F406-F454 HydrophobicContact CG-CZ 4.41Å; R407-F454 PolarHBondContact O-N 2.87Å; R408-F454 HydrophobicContact CG-CB 4.47Å; R408-F454 HydrophobicContact CG-CD2 4.39Å; M409-F454 PolarHBondContact N-O 2.89Å; F454-H456 PolarHBondContact O-CD2 3.48Å; F454-V480 HydrophobicContact CB-CG2 3.87Å; F454-V480 HydrophobicContact CD1-CG2 3.68Å; F454-V480 HydrophobicContact CG-CG2 4.08Å; F454-L482 HydrophobicContact CD1-CB 4.13Å; F454-L482 HydrophobicContact CD1-CD1 3.82Å; F454-L482 HydrophobicContact CD1-CG 4.48Å; F454-L482 HydrophobicContact CE1-CB 4.05Å; F454-L482 HydrophobicContact CE1-CD1 3.68Å; F454-L482 HydrophobicContact CE1-CD2 4.23Å; F454-L482 HydrophobicContact CE1-CG 4.18Å; F454-L482 HydrophobicContact CZ-CD1 4.46Å
455	L	98.2	Very high	94.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.3	169.5	-177	60.2	0	0	0	107.7	M409 A414 I437 I453 F458 V480 D481 L483	M409-L455 HydrophobicContact CG-CD1 4.41Å; M409-L455 CarbonylContact O-C 3.56Å; M409-L455 VanDerWaalsContact O-CA 3.32Å; M409-L455 WeakPolarHBondContact O-CA 3.07Å; A414-L455 HydrophobicContact CB-CD1 3.51Å; I437-L455 HydrophobicContact CD1-CD2 4.46Å; I453-L455 PolarHBondContact O-N 2.62Å; L455-F458 HydrophobicContact CB-CZ 4.16Å; L455-F458 HydrophobicContact CD2-CE1 3.8Å; L455-F458 HydrophobicContact CD2-CZ 3.58Å; L455-F458 HydrophobicContact CG-CE1 4.04Å; L455-F458 HydrophobicContact CG-CE2 4.22Å; L455-F458 HydrophobicContact CG-CZ 3.52Å; L455-F458 VanDerWaalsContact O-CE2 3.25Å; L455-F458 WeakPolarHBondContact O-CE2 3.26Å; L455-V480 CarbonylContact O-C 3.53Å; L455-V480 WeakPolarHBondContact O-CA 3.48Å; L455-D481 PolarHBondContact N-O 2.92Å; L455-D481 PolarHBondContact O-N 2.85Å; L455-L483 HydrophobicContact CB-CD1 3.92Å; L455-L483 HydrophobicContact CB-CG 4.19Å; L455-L483 HydrophobicContact CD2-CD1 4.02Å
456	H	97.9	Very high	94.5	Very high	29 Å²	29	32.2 Å²	32.2	13%	0.134	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	168.6	-169.8	66.3	76.5	0	0	0	113.8	F365 M409 A410 Y411 F454 S479 V480	F365-H456 HydrophobicContact CE1-CB 4.28Å; F365-H456 HydrophobicContact CZ-CB 3.95Å; M409-H456 PolarHBondContact O-CD2 3.31Å; M409-H456 PolarHBondContact O-N 3.2Å; A410-H456 CarbonylContact C-O 3.57Å; A410-H456 WeakPolarHBondContact CA-O 3.26Å; Y411-H456 PolarHBondContact N-O 2.99Å; F454-H456 PolarHBondContact O-CD2 3.48Å; H456-S479 CarbonylContact C-O 3.5Å; H456-S479 VanDerWaalsContact CA-O 3.23Å; H456-S479 WeakPolarHBondContact CA-O 3.34Å; H456-S479 WeakPolarHBondContact CB-O 3.39Å; H456-V480 HydrophobicContact CB-CB 4.28Å; H456-V480 HydrophobicContact CB-CG2 4.4Å
457	S	97.2	Very high	94.5	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	18%	0.179	C	C	.	.			trans	64.3	53	173.5	-52.3	0	0	0	0	113.9	R470 L476 T477 S479	S457-R470 WeakPolarHBondContact OG-CD 3.29Å; S457-R470 PolarHBondContact OG-NH1 3.21Å; S457-L476 WeakPolarHBondContact O-CD2 3.45Å; S457-T477 VanDerWaalsContact CA-O 3.3Å; S457-T477 WeakPolarHBondContact CA-O 3.24Å; S457-S479 PolarHBondContact N-O 2.99Å
458	F	97.2	Very high	94.6	Very high	9 Å²	9	30.2 Å²	30.2	4%	0.039	17%	0.166	C	C	.	.			trans	-71	152.8	178.6	-66.4	-95.2	0	0	0	112.4	Y411 L455 A460 K463 L476 T477 S479 D481	Y411-F458 AromaticContact CD2-CD1 3.73Å; Y411-F458 HydrophobicContact CD2-CD1 3.73Å; Y411-F458 HydrophobicContact CD2-CE1 4.17Å; Y411-F458 HydrophobicContact CG-CD1 4.31Å; L455-F458 HydrophobicContact CB-CZ 4.16Å; L455-F458 HydrophobicContact CD2-CE1 3.8Å; L455-F458 HydrophobicContact CD2-CZ 3.58Å; L455-F458 HydrophobicContact CG-CE1 4.04Å; L455-F458 HydrophobicContact CG-CE2 4.22Å; L455-F458 HydrophobicContact CG-CZ 3.52Å; L455-F458 VanDerWaalsContact O-CE2 3.25Å; L455-F458 WeakPolarHBondContact O-CE2 3.26Å; F458-A460 PolarHBondContact O-N 2.86Å; F458-K463 HydrophobicContact CB-CD 4.2Å; F458-K463 HydrophobicContact CB-CG 3.64Å; F458-K463 VanDerWaalsContact CD2-CE 3.47Å; F458-K463 HydrophobicContact CG-CD 4.37Å; F458-K463 HydrophobicContact CG-CG 4.34Å; F458-L476 WeakPolarHBondContact O-CA 3.49Å; F458-T477 PolarHBondContact O-N 3.22Å; F458-T477 PolarHBondContact O-OG1 2.99Å; F458-T477 VanDerWaalsContact O-OG1 3.05Å; F458-S479 WeakPolarHBondContact CD2-OG 3.34Å; F458-S479 PolarHBondContact N-OG 3.1Å; F458-D481 HydrophobicContact CE2-CB 4.07Å; F458-D481 WeakPolarHBondContact CE2-OD2 3.39Å; F458-D481 HydrophobicContact CZ-CB 3.98Å; F458-D481 WeakPolarHBondContact CZ-OD2 3.12Å
459	P	95.6	Very high	94.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-55.5	134.6	173.4	-25.2	34	0	0	0	112.4	Y411 F433 T461 L462 L475	Y411-P459 VanDerWaalsContact CD1-CD 3.46Å; Y411-P459 HydrophobicContact CD1-CG 3.71Å; Y411-P459 HydrophobicContact CE1-CG 3.35Å; Y411-P459 HydrophobicContact CE2-CG 4.36Å; Y411-P459 HydrophobicContact CG-CG 4.35Å; F433-P459 HydrophobicContact CE1-CB 4.41Å; F433-P459 HydrophobicContact CE1-CG 4.37Å; F433-P459 HydrophobicContact CE2-CG 4.07Å; F433-P459 HydrophobicContact CZ-CB 4.16Å; F433-P459 HydrophobicContact CZ-CG 3.95Å; P459-T461 PolarHBondContact O-N 2.7Å; P459-L462 HydrophobicContact CB-CD1 4.28Å; P459-L462 HydrophobicContact CB-CG 4.37Å; P459-L462 HydrophobicContact CG-CD1 4.04Å; P459-L462 PolarHBondContact O-N 3.16Å; P459-L475 WeakPolarHBondContact CA-O 3.33Å
460	A	91.9	Very high	94.4	Very high	11 Å²	11	29 Å²	29	9%	0.091	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.3	176.1	0	0	0	0	0	115.1	F458 R469 L475	F458-A460 PolarHBondContact O-N 2.86Å; A460-R469 VanDerWaalsContact CA-NH1 3.28Å; A460-L475 VanDerWaalsContact CB-O 3.26Å; A460-L475 WeakPolarHBondContact CB-O 3.47Å; A460-L475 PolarHBondContact N-O 3.27Å
461	T	89.2	Confident	94.2	Very high	93 Å²	93	32.1 Å²	32.1	57%	0.571	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.3	-177.7	55.6	0	0	0	0	114.1	P459	P459-T461 PolarHBondContact O-N 2.7Å
462	L	88.1	Confident	94	Very high	65 Å²	65	34.5 Å²	34.5	34%	0.34	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-16.1	-179.2	-69	178.3	0	0	0	113.1	Y411 G434 D435 D436 P459	Y411-L462 HydrophobicContact CE2-CD1 4.41Å; G434-L462 WeakPolarHBondContact O-CD2 3.28Å; D435-L462 WeakPolarHBondContact O-CD1 3.24Å; D436-L462 HydrophobicContact CB-CD2 4.42Å; P459-L462 HydrophobicContact CB-CD1 4.28Å; P459-L462 HydrophobicContact CB-CG 4.37Å; P459-L462 HydrophobicContact CG-CD1 4.04Å; P459-L462 PolarHBondContact O-N 3.16Å
463	K	90.1	Very high	93.8	Very high	39 Å²	39	36.6 Å²	36.6	17%	0.17	19%	0.186	C	C	.	.	S	Bend	trans	-112.2	160.6	-173.4	-70.8	-59.8	-138.8	-173	0	111.6	F458 M467 D481	F458-K463 HydrophobicContact CB-CD 4.2Å; F458-K463 HydrophobicContact CB-CG 3.64Å; F458-K463 VanDerWaalsContact CD2-CE 3.47Å; F458-K463 HydrophobicContact CG-CD 4.37Å; F458-K463 HydrophobicContact CG-CG 4.34Å; K463-M467 HydrophobicContact CB-CE 4.18Å; K463-M467 HydrophobicContact CB-SD 3.59Å; K463-M467 VanDerWaalsContact CB-SD 3.59Å; K463-M467 HydrophobicContact CD-CE 4.13Å; K463-M467 HydrophobicContact CD-SD 4.19Å; K463-M467 HydrophobicContact CG-CE 4.49Å; K463-M467 HydrophobicContact CG-SD 3.95Å; K463-D481 VanDerWaalsContact NZ-CG 3.25Å; K463-D481 IonicContact NZ-OD1 2.64Å; K463-D481 PolarHBondContact NZ-OD1 3.24Å; K463-D481 IonicContact NZ-OD2 3.48Å; K463-D481 PolarHBondContact NZ-OD2 3.04Å
464	S	90.6	Very high	93.5	Very high	27 Å²	27	41.3 Å²	41.3	19%	0.189	21%	0.208	C	C	.	.			trans	-60.5	152.2	-174.4	-46.8	0	0	0	0	113.4	E297 Y466 M467	E297-S464 PolarHBondContact OE2-OG 2.64Å; S464-Y466 VanDerWaalsContact CB-CZ 3.43Å; S464-Y466 PolarHBondContact O-N 3.08Å; S464-Y466 VanDerWaalsContact O-N 3.12Å; S464-M467 PolarHBondContact O-N 2.92Å
465	F	90.7	Very high	93.2	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.044	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	-170.7	74.9	-85	0	0	0	114.6	M467 I497 L503 A506 F507 H510 I512	F465-M467 VanDerWaalsContact C-N 3.35Å; F465-I497 WeakPolarHBondContact O-CD1 3.49Å; F465-L503 HydrophobicContact CD2-CD1 4.43Å; F465-L503 HydrophobicContact CE2-CD1 4.18Å; F465-A506 HydrophobicContact CB-CB 4.41Å; F465-A506 HydrophobicContact CD2-CB 4.37Å; F465-A506 WeakPolarHBondContact O-CB 3.26Å; F465-F507 HydrophobicContact CD2-CD1 4.28Å; F465-F507 HydrophobicContact CD2-CE1 4.24Å; F465-F507 AromaticContact CE2-CD1 3.88Å; F465-F507 HydrophobicContact CE2-CD1 3.88Å; F465-F507 AromaticContact CE2-CE1 3.41Å; F465-F507 HydrophobicContact CE2-CE1 3.41Å; F465-F507 VanDerWaalsContact CE2-CE1 3.41Å; F465-F507 AromaticContact CE2-CZ 3.81Å; F465-F507 HydrophobicContact CE2-CZ 3.81Å; F465-F507 HydrophobicContact CZ-CD1 4.47Å; F465-F507 AromaticContact CZ-CE1 3.77Å; F465-F507 HydrophobicContact CZ-CE1 3.77Å; F465-F507 HydrophobicContact CZ-CZ 4.33Å; F465-H510 HydrophobicContact CB-CB 4.45Å; F465-H510 VanDerWaalsContact CB-CE1 3.42Å; F465-H510 WeakPolarHBondContact CB-CE1 3.42Å; F465-H510 VanDerWaalsContact CB-ND1 3.32Å; F465-H510 WeakPolarHBondContact CB-ND1 3.29Å; F465-I512 HydrophobicContact CD1-CD1 3.71Å; F465-I512 HydrophobicContact CE1-CD1 3.89Å; F465-I512 HydrophobicContact CG-CD1 4.14Å; F465-I512 HydrophobicContact CZ-CD1 4.46Å
466	Y	93.7	Very high	93.1	Very high	8 Å²	8	47.1 Å²	47.1	3%	0.031	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-9.4	-174.6	57.1	-109.5	0	0	0	113.9	V296 E297 S464 R496 I497	V296-Y466 HydrophobicContact CG1-CE1 4.16Å; E297-Y466 PolarHBondContact OE1-OH 3.45Å; S464-Y466 VanDerWaalsContact CB-CZ 3.43Å; S464-Y466 PolarHBondContact O-N 3.08Å; S464-Y466 VanDerWaalsContact O-N 3.12Å; Y466-R496 WeakPolarHBondContact O-CA 3.43Å; Y466-I497 PolarHBondContact O-N 3.27Å
467	M	96	Very high	93	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.054	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-79.3	130.4	-173.6	-57.9	-163.5	-176.2	0	0	112.3	K463 S464 F465 T477 S494	K463-M467 HydrophobicContact CB-CE 4.18Å; K463-M467 HydrophobicContact CB-SD 3.59Å; K463-M467 VanDerWaalsContact CB-SD 3.59Å; K463-M467 HydrophobicContact CD-CE 4.13Å; K463-M467 HydrophobicContact CD-SD 4.19Å; K463-M467 HydrophobicContact CG-CE 4.49Å; K463-M467 HydrophobicContact CG-SD 3.95Å; S464-M467 PolarHBondContact O-N 2.92Å; F465-M467 VanDerWaalsContact C-N 3.35Å; M467-T477 HydrophobicContact CB-CG2 3.95Å; M467-S494 WeakPolarHBondContact CG-OG 3.45Å
468	S	96.7	Very high	93	Very high	8 Å²	8	47.6 Å²	47.6	6%	0.056	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-57.7	145.1	175.7	-68.5	0	0	0	0	112.2	T477 E478 M495 R496 I497	S468-T477 CarbonylContact O-C 3.39Å; S468-T477 WeakPolarHBondContact O-CA 3.43Å; S468-T477 WeakPolarHBondContact O-CB 3.38Å; S468-E478 PolarHBondContact O-N 2.99Å; S468-M495 PolarHBondContact N-O 2.9Å; S468-R496 PolarHBondContact OG-N 2.71Å; S468-R496 PolarHBondContact OG-O 2.95Å; S468-I497 PolarHBondContact OG-N 3.44Å
469	R	95	Very high	93.1	Very high	35 Å²	35	47.1 Å²	47.1	13%	0.132	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-78.8	149.7	167.5	-55.8	-51.8	-171	-156.2	4.1	110.6	A460 L476	A460-R469 VanDerWaalsContact CA-NH1 3.28Å; R469-L476 WeakPolarHBondContact CA-O 3.09Å
470	R	93.1	Very high	93.2	Very high	56 Å²	56	47.1 Å²	47.1	21%	0.211	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-71	139.6	170	-63.7	-179.9	54.9	104.2	4.8	110.4	S457 D472 N473 Q474 L476 E478	S457-R470 WeakPolarHBondContact OG-CD 3.29Å; S457-R470 PolarHBondContact OG-NH1 3.21Å; R470-D472 VanDerWaalsContact C-N 3.28Å; R470-D472 WeakPolarHBondContact CB-OD1 3.29Å; R470-D472 IonicContact CZ-OD1 3.78Å; R470-D472 IonicContact CZ-OD2 3.43Å; R470-D472 IonicContact NE-OD1 3.61Å; R470-D472 PolarHBondContact NE-OD1 3.22Å; R470-D472 IonicContact NE-OD2 3.78Å; R470-D472 IonicContact NH2-OD1 3.98Å; R470-D472 PolarHBondContact NH2-OD1 2.75Å; R470-D472 IonicContact NH2-OD2 3.31Å; R470-D472 PolarHBondContact NH2-OD2 2.7Å; R470-D472 PolarHBondContact O-N 3.38Å; R470-N473 CarbonylContact O-C 3.41Å; R470-N473 PolarHBondContact O-N 2.83Å; R470-Q474 PolarHBondContact O-NE2 2.92Å; R470-L476 HydrophobicContact CG-CB 4.25Å; R470-L476 PolarHBondContact N-O 2.87Å; R470-E478 HydrophobicContact CB-CG 4.43Å; R470-E478 HydrophobicContact CG-CG 3.85Å
471	E	89.1	Confident	93.5	Very high	181 Å²	181	47.1 Å²	47.1	85%	0.846	24%	0.237	S	C	*	.	S	Bend	trans	-61.7	-35.9	177.7	-65.5	-173.2	166.6	0	0	112.6
472	D	91.2	Very high	93.9	Very high	119 Å²	119	42.8 Å²	42.8	64%	0.636	21%	0.21	S	C	*	.	S	Bend	trans	-81.6	-25.4	-178.3	64.8	-17.3	0	0	0	114.3	R470	R470-D472 VanDerWaalsContact C-N 3.28Å; R470-D472 WeakPolarHBondContact CB-OD1 3.29Å; R470-D472 IonicContact CZ-OD1 3.78Å; R470-D472 IonicContact CZ-OD2 3.43Å; R470-D472 IonicContact NE-OD1 3.61Å; R470-D472 PolarHBondContact NE-OD1 3.22Å; R470-D472 IonicContact NE-OD2 3.78Å; R470-D472 IonicContact NH2-OD1 3.98Å; R470-D472 PolarHBondContact NH2-OD1 2.75Å; R470-D472 IonicContact NH2-OD2 3.31Å; R470-D472 PolarHBondContact NH2-OD2 2.7Å; R470-D472 PolarHBondContact O-N 3.38Å
473	N	91.7	Very high	94.3	Very high	62 Å²	62	39.7 Å²	39.7	33%	0.332	19%	0.194	S	C	.	.			trans	-150.7	101.6	177.5	-173.3	-8.4	0	0	0	111.6	R470 L475 L476	R470-N473 CarbonylContact O-C 3.41Å; R470-N473 PolarHBondContact O-N 2.83Å; N473-L475 PolarHBondContact O-N 3.45Å; N473-L475 VanDerWaalsContact O-N 3.07Å; N473-L475 WeakPolarHBondContact OD1-CB 3.37Å; N473-L475 PolarHBondContact OD1-N 3.12Å; N473-L476 HydrophobicContact CB-CD1 4.33Å; N473-L476 HydrophobicContact CB-CG 4.38Å; N473-L476 PolarHBondContact O-N 2.82Å
474	Q	91.4	Very high	94.5	Very high	99 Å²	99	37.9 Å²	37.9	46%	0.463	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-12	-177.8	-64.1	-67.6	-41.6	0	0	114.4	R470 L476	R470-Q474 PolarHBondContact O-NE2 2.92Å; Q474-L476 VanDerWaalsContact C-N 3.26Å
475	L	92.2	Very high	94.6	Very high	109 Å²	109	37.1 Å²	37.1	57%	0.571	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.8	172.5	-60.8	176.4	0	0	0	112.9	P459 A460 N473	P459-L475 WeakPolarHBondContact CA-O 3.33Å; A460-L475 VanDerWaalsContact CB-O 3.26Å; A460-L475 WeakPolarHBondContact CB-O 3.47Å; A460-L475 PolarHBondContact N-O 3.27Å; N473-L475 PolarHBondContact O-N 3.45Å; N473-L475 VanDerWaalsContact O-N 3.07Å; N473-L475 WeakPolarHBondContact OD1-CB 3.37Å; N473-L475 PolarHBondContact OD1-N 3.12Å
476	L	95.6	Very high	94.3	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.079	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-113.4	152.4	-178.7	-56.9	-177.8	0	0	0	110.3	F433 S457 F458 R469 R470 N473 Q474	F433-L476 HydrophobicContact CE2-CD2 3.81Å; F433-L476 HydrophobicContact CZ-CD2 3.82Å; S457-L476 WeakPolarHBondContact O-CD2 3.45Å; F458-L476 WeakPolarHBondContact O-CA 3.49Å; R469-L476 WeakPolarHBondContact CA-O 3.09Å; R470-L476 HydrophobicContact CG-CB 4.25Å; R470-L476 PolarHBondContact N-O 2.87Å; N473-L476 HydrophobicContact CB-CD1 4.33Å; N473-L476 HydrophobicContact CB-CG 4.38Å; N473-L476 PolarHBondContact O-N 2.82Å; Q474-L476 VanDerWaalsContact C-N 3.26Å
477	T	96.8	Very high	94.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-99.3	157.7	174.7	50.8	0	0	0	0	111.9	S457 F458 M467 S468 S479	S457-T477 VanDerWaalsContact CA-O 3.3Å; S457-T477 WeakPolarHBondContact CA-O 3.24Å; F458-T477 PolarHBondContact O-N 3.22Å; F458-T477 PolarHBondContact O-OG1 2.99Å; F458-T477 VanDerWaalsContact O-OG1 3.05Å; M467-T477 HydrophobicContact CB-CG2 3.95Å; S468-T477 CarbonylContact O-C 3.39Å; S468-T477 WeakPolarHBondContact O-CA 3.43Å; S468-T477 WeakPolarHBondContact O-CB 3.38Å; T477-S479 PolarHBondContact O-N 3.11Å; T477-S479 WeakPolarHBondContact OG1-CB 3.43Å; T477-S479 PolarHBondContact OG1-OG 3.01Å
478	E	97.9	Very high	93.9	Very high	41 Å²	41	41.3 Å²	41.3	19%	0.192	21%	0.205	C	C	.	.	S	Bend	trans	-80.9	60.3	165.6	-68.1	-171.2	137.9	0	0	110	F365 S468 R470 S494 M495	F365-E478 HydrophobicContact CB-CB 4.43Å; F365-E478 HydrophobicContact CB-CG 4.5Å; F365-E478 HydrophobicContact CD2-CB 3.93Å; F365-E478 VanDerWaalsContact CE2-C 3.45Å; F365-E478 HydrophobicContact CE2-CB 4.38Å; F365-E478 WeakPolarHBondContact CE2-O 3.42Å; F365-E478 HydrophobicContact CG-CB 4.12Å; F365-E478 HydrophobicContact CG-CG 4.47Å; S468-E478 PolarHBondContact O-N 2.99Å; R470-E478 HydrophobicContact CB-CG 4.43Å; R470-E478 HydrophobicContact CG-CG 3.85Å; E478-S494 CarbonylContact O-C 3.48Å; E478-S494 VanDerWaalsContact O-CA 3.23Å; E478-S494 WeakPolarHBondContact O-CA 3.45Å; E478-S494 WeakPolarHBondContact O-CB 3.2Å; E478-M495 HydrophobicContact CB-CB 3.78Å; E478-M495 HydrophobicContact CB-CG 3.83Å; E478-M495 PolarHBondContact O-N 3.27Å; E478-M495 VanDerWaalsContact OE2-CB 3.26Å; E478-M495 WeakPolarHBondContact OE2-CB 3.17Å; E478-M495 WeakPolarHBondContact OE2-CG 3.36Å
479	S	97.9	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.8	-178.8	55.9	0	0	0	0	111.6	F365 H456 S457 F458 T477 G493	F365-S479 WeakPolarHBondContact CZ-O 3.23Å; H456-S479 CarbonylContact C-O 3.5Å; H456-S479 VanDerWaalsContact CA-O 3.23Å; H456-S479 WeakPolarHBondContact CA-O 3.34Å; H456-S479 WeakPolarHBondContact CB-O 3.39Å; S457-S479 PolarHBondContact N-O 2.99Å; F458-S479 WeakPolarHBondContact CD2-OG 3.34Å; F458-S479 PolarHBondContact N-OG 3.1Å; T477-S479 PolarHBondContact O-N 3.11Å; T477-S479 WeakPolarHBondContact OG1-CB 3.43Å; T477-S479 PolarHBondContact OG1-OG 3.01Å; S479-G493 WeakPolarHBondContact CA-O 3.47Å
480	V	98.3	Very high	93.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	136.3	178.5	56.7	0	0	0	0	110.8	F365 L368 L369 L372 F454 L455 H456 G493	F365-V480 HydrophobicContact CE2-CB 4.19Å; F365-V480 HydrophobicContact CE2-CG1 4.16Å; F365-V480 HydrophobicContact CZ-CB 4.1Å; L368-V480 HydrophobicContact CD2-CG1 4.39Å; L369-V480 HydrophobicContact CD2-CB 3.71Å; L369-V480 HydrophobicContact CD2-CG1 3.85Å; L369-V480 HydrophobicContact CD2-CG2 3.47Å; L369-V480 VanDerWaalsContact CD2-CG2 3.47Å; L372-V480 HydrophobicContact CD1-CG1 3.52Å; L372-V480 HydrophobicContact CD1-CG2 4.42Å; F454-V480 HydrophobicContact CB-CG2 3.87Å; F454-V480 HydrophobicContact CD1-CG2 3.68Å; F454-V480 HydrophobicContact CG-CG2 4.08Å; L455-V480 CarbonylContact O-C 3.53Å; L455-V480 WeakPolarHBondContact O-CA 3.48Å; H456-V480 HydrophobicContact CB-CB 4.28Å; H456-V480 HydrophobicContact CB-CG2 4.4Å; V480-G493 PolarHBondContact N-O 2.96Å; V480-G493 PolarHBondContact O-N 3.36Å
481	D	97.7	Very high	93.9	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.064	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.1	168.2	-61.3	-9.8	0	0	0	107.9	L455 F458 K463 L483 E489 V491	L455-D481 PolarHBondContact N-O 2.92Å; L455-D481 PolarHBondContact O-N 2.85Å; F458-D481 HydrophobicContact CE2-CB 4.07Å; F458-D481 WeakPolarHBondContact CE2-OD2 3.39Å; F458-D481 HydrophobicContact CZ-CB 3.98Å; F458-D481 WeakPolarHBondContact CZ-OD2 3.12Å; K463-D481 VanDerWaalsContact NZ-CG 3.25Å; K463-D481 IonicContact NZ-OD1 2.64Å; K463-D481 PolarHBondContact NZ-OD1 3.24Å; K463-D481 IonicContact NZ-OD2 3.48Å; K463-D481 PolarHBondContact NZ-OD2 3.04Å; D481-L483 HydrophobicContact CB-CD2 4.43Å; D481-E489 HydrophobicContact CB-CG 4.27Å; D481-V491 CarbonylContact C-O 3.54Å; D481-V491 WeakPolarHBondContact CA-O 3.41Å
482	L	97.7	Very high	94.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.4	175.3	175.5	57.5	0	0	0	109.8	V376 F406 P452 F454 M484 E489 V490 V491	V376-L482 HydrophobicContact CB-CD2 4.42Å; V376-L482 HydrophobicContact CG2-CD2 3.37Å; F406-L482 HydrophobicContact CD2-CD1 3.74Å; F406-L482 HydrophobicContact CE2-CD1 4.03Å; F406-L482 HydrophobicContact CE2-CD2 4.23Å; P452-L482 HydrophobicContact CB-CD1 4.3Å; F454-L482 HydrophobicContact CD1-CB 4.13Å; F454-L482 HydrophobicContact CD1-CD1 3.82Å; F454-L482 HydrophobicContact CD1-CG 4.48Å; F454-L482 HydrophobicContact CE1-CB 4.05Å; F454-L482 HydrophobicContact CE1-CD1 3.68Å; F454-L482 HydrophobicContact CE1-CD2 4.23Å; F454-L482 HydrophobicContact CE1-CG 4.18Å; F454-L482 HydrophobicContact CZ-CD1 4.46Å; L482-M484 HydrophobicContact CD1-SD 4.03Å; L482-M484 HydrophobicContact CD2-SD 4.34Å; L482-M484 HydrophobicContact CG-CG 4.38Å; L482-M484 HydrophobicContact CG-SD 4.14Å; L482-E489 WeakPolarHBondContact O-CA 3.47Å; L482-V490 HydrophobicContact CB-CG2 4.38Å; L482-V490 HydrophobicContact CD2-CG2 4.16Å; L482-V490 HydrophobicContact CG-CG2 4Å; L482-V490 WeakPolarHBondContact O-CG2 3.47Å; L482-V490 PolarHBondContact O-N 3.08Å; L482-V491 HydrophobicContact CB-CB 3.92Å; L482-V491 HydrophobicContact CB-CG2 4.28Å; L482-V491 HydrophobicContact CD2-CG2 4.11Å; L482-V491 PolarHBondContact N-O 3.2Å
483	L	97.1	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.5	177.9	-45.7	-177.4	0	0	0	110.4	E442 M445 T446 P452 I453 L455 D481 G488 E489	E442-L483 VanDerWaalsContact CD-CD2 3.48Å; E442-L483 HydrophobicContact CG-CD1 3.78Å; E442-L483 HydrophobicContact CG-CD2 3.71Å; E442-L483 HydrophobicContact CG-CG 4.33Å; M445-L483 HydrophobicContact CE-CD1 3.8Å; T446-L483 HydrophobicContact CG2-CB 3.86Å; T446-L483 WeakPolarHBondContact OG1-CB 3.29Å; P452-L483 WeakPolarHBondContact CA-O 3.06Å; I453-L483 HydrophobicContact CB-CB 4.28Å; I453-L483 PolarHBondContact N-O 3.49Å; I453-L483 PolarHBondContact O-N 2.84Å; L455-L483 HydrophobicContact CB-CD1 3.92Å; L455-L483 HydrophobicContact CB-CG 4.19Å; L455-L483 HydrophobicContact CD2-CD1 4.02Å; D481-L483 HydrophobicContact CB-CD2 4.43Å; L483-G488 WeakPolarHBondContact CA-O 3.45Å; L483-E489 HydrophobicContact CD2-CB 3.91Å
484	M	94.9	Very high	94.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138	178.7	-62	-63.2	-75	0	0	111.1	V376 P402 T446 P452 L482 N486 V487 G488 V490 W544	V376-M484 HydrophobicContact CG1-CE 4.28Å; P402-M484 HydrophobicContact CG-CE 4.46Å; T446-M484 VanDerWaalsContact CG2-C 3.48Å; P452-M484 HydrophobicContact CB-CE 4.41Å; P452-M484 HydrophobicContact CB-SD 3.64Å; P452-M484 HydrophobicContact CG-CE 3.95Å; P452-M484 HydrophobicContact CG-SD 3.83Å; L482-M484 HydrophobicContact CD1-SD 4.03Å; L482-M484 HydrophobicContact CD2-SD 4.34Å; L482-M484 HydrophobicContact CG-CG 4.38Å; L482-M484 HydrophobicContact CG-SD 4.14Å; M484-N486 PolarHBondContact O-N 3.24Å; M484-V487 PolarHBondContact O-N 3.32Å; M484-G488 PolarHBondContact N-O 3.08Å; M484-G488 PolarHBondContact O-N 3.37Å; M484-V490 HydrophobicContact CB-CG1 4.26Å; M484-V490 HydrophobicContact CB-CG2 4.29Å; M484-V490 HydrophobicContact CG-CB 4.41Å; M484-V490 HydrophobicContact CG-CG1 4.14Å; M484-V490 HydrophobicContact CG-CG2 3.36Å; M484-W544 HydrophobicContact CB-CG 4.31Å; M484-W544 HydrophobicContact CE-CD2 3.74Å; M484-W544 HydrophobicContact CE-CE3 4.08Å; M484-W544 HydrophobicContact CE-CG 4.49Å; M484-W544 HydrophobicContact CE-CH2 3.48Å; M484-W544 VanDerWaalsContact CE-CH2 3.48Å; M484-W544 HydrophobicContact CE-CZ2 3.06Å; M484-W544 HydrophobicContact CE-CZ3 3.96Å
485	P	91.2	Very high	95.2	Very high	11 Å²	11	18.5 Å²	18.5	7%	0.071	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	141.8	175.3	-27	34.8	0	0	0	112.5	T446 D447 V487	T446-P485 HydrophobicContact CG2-CG 4.32Å; D447-P485 WeakPolarHBondContact OD1-CA 3.41Å; P485-V487 PolarHBondContact O-N 3.38Å
486	N	85	Confident	95.5	Very high	115 Å²	115	13.4 Å²	13.4	62%	0.615	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	-6.4	-175.9	-45	-79.7	0	0	0	115.9	R443 D447 M484	R443-N486 PolarHBondContact NH1-O 2.55Å; D447-N486 PolarHBondContact OD1-N 3.38Å; M484-N486 PolarHBondContact O-N 3.24Å
487	V	90.4	Very high	95.6	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-39.2	-179.5	-177.9	0	0	0	0	112.7	R443 M484 P485 V490 R540 T543 W544	R443-V487 PolarHBondContact NE-O 2.83Å; R443-V487 PolarHBondContact NH1-O 3.31Å; R443-V487 PolarHBondContact NH2-O 2.89Å; M484-V487 PolarHBondContact O-N 3.32Å; P485-V487 PolarHBondContact O-N 3.38Å; V487-V490 HydrophobicContact CB-CG1 4.2Å; V487-V490 HydrophobicContact CG1-CG1 3.72Å; V487-R540 HydrophobicContact CG1-CB 4.39Å; V487-T543 HydrophobicContact CG2-CG2 4.14Å; V487-W544 HydrophobicContact CG2-CB 3.68Å
488	G	92.2	Very high	95.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.5	-142	-165.5	0	0	0	0	0	110.4	E442 L483 M484 V490	E442-G488 WeakPolarHBondContact OE1-CA 3.4Å; L483-G488 WeakPolarHBondContact CA-O 3.45Å; M484-G488 PolarHBondContact N-O 3.08Å; M484-G488 PolarHBondContact O-N 3.37Å; G488-V490 PolarHBondContact O-N 2.84Å
489	E	94.4	Very high	95.4	Very high	44 Å²	44	19.4 Å²	19.4	21%	0.206	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	122.4	-179	-171.8	-155.3	161.7	0	0	113.4	E442 D481 L482 L483 R540	E442-E489 WeakPolarHBondContact OE1-CB 3.31Å; E442-E489 PolarHBondContact OE1-N 3.39Å; D481-E489 HydrophobicContact CB-CG 4.27Å; L482-E489 WeakPolarHBondContact O-CA 3.47Å; L483-E489 HydrophobicContact CD2-CB 3.91Å; E489-R540 WeakPolarHBondContact O-CD 3.26Å; E489-R540 PolarHBondContact O-NH1 3.02Å; E489-R540 IonicContact OE2-NH1 2.71Å; E489-R540 PolarHBondContact OE2-NH1 3.43Å
490	V	94.5	Very high	95.2	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-20.7	173.7	-66.5	0	0	0	0	113.9	L482 M484 V487 G488 G537 R540	L482-V490 HydrophobicContact CB-CG2 4.38Å; L482-V490 HydrophobicContact CD2-CG2 4.16Å; L482-V490 HydrophobicContact CG-CG2 4Å; L482-V490 WeakPolarHBondContact O-CG2 3.47Å; L482-V490 PolarHBondContact O-N 3.08Å; M484-V490 HydrophobicContact CB-CG1 4.26Å; M484-V490 HydrophobicContact CB-CG2 4.29Å; M484-V490 HydrophobicContact CG-CB 4.41Å; M484-V490 HydrophobicContact CG-CG1 4.14Å; M484-V490 HydrophobicContact CG-CG2 3.36Å; V487-V490 HydrophobicContact CB-CG1 4.2Å; V487-V490 HydrophobicContact CG1-CG1 3.72Å; G488-V490 PolarHBondContact O-N 2.84Å; V490-G537 PolarHBondContact O-N 2.99Å; V490-R540 HydrophobicContact CG1-CB 4.25Å
491	V	95.9	Very high	95	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.8	177.1	-171.6	0	0	0	0	109.5	L372 D481 L482 Y534 G535 L536	L372-V491 HydrophobicContact CD2-CG1 3.61Å; D481-V491 CarbonylContact C-O 3.54Å; D481-V491 WeakPolarHBondContact CA-O 3.41Å; L482-V491 HydrophobicContact CB-CB 3.92Å; L482-V491 HydrophobicContact CB-CG2 4.28Å; L482-V491 HydrophobicContact CD2-CG2 4.11Å; L482-V491 PolarHBondContact N-O 3.2Å; V491-Y534 HydrophobicContact CG1-CD2 4.1Å; V491-Y534 HydrophobicContact CG1-CG 4.36Å; V491-G535 WeakPolarHBondContact CA-O 3.27Å; V491-G535 WeakPolarHBondContact CG1-O 3.46Å; V491-L536 HydrophobicContact CG1-CB 4.39Å; V491-L536 HydrophobicContact CG2-CB 3.88Å; V491-L536 HydrophobicContact CG2-CD1 3.6Å; V491-L536 HydrophobicContact CG2-CG 3.82Å
492	G	95.8	Very high	94.8	Very high	22 Å²	22	31 Å²	31	23%	0.227	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.8	166.4	0	0	0	0	0	110.4	Y534 G535	G492-Y534 CarbonylContact O-C 3.56Å; G492-Y534 VanDerWaalsContact O-CA 3.31Å; G492-Y534 WeakPolarHBondContact O-CA 3.39Å; G492-G535 PolarHBondContact N-O 3.42Å; G492-G535 PolarHBondContact O-N 3.2Å
493	G	97.5	Very high	94.7	Very high	5 Å²	5	31 Å²	31	5%	0.052	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	164	-179	0	0	0	0	0	113.8	S479 V480 G533	S479-G493 WeakPolarHBondContact CA-O 3.47Å; V480-G493 PolarHBondContact N-O 2.96Å; V480-G493 PolarHBondContact O-N 3.36Å; G493-G533 VanDerWaalsContact CA-O 3.24Å; G493-G533 WeakPolarHBondContact CA-O 3.44Å
494	S	98.3	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	162.1	175.4	85.8	0	0	0	0	112.4	M467 E478 R496 G532 G533	M467-S494 WeakPolarHBondContact CG-OG 3.45Å; E478-S494 CarbonylContact O-C 3.48Å; E478-S494 VanDerWaalsContact O-CA 3.23Å; E478-S494 WeakPolarHBondContact O-CA 3.45Å; E478-S494 WeakPolarHBondContact O-CB 3.2Å; S494-R496 PolarHBondContact O-NE 2.99Å; S494-R496 PolarHBondContact OG-NH1 3.17Å; S494-G532 VanDerWaalsContact O-CA 3.29Å; S494-G532 WeakPolarHBondContact O-CA 3.48Å; S494-G533 PolarHBondContact N-O 2.98Å; S494-G533 PolarHBondContact O-N 2.7Å; S494-G533 VanDerWaalsContact O-N 3.07Å
495	M	98.5	Very high	94.6	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.8	153.8	-60.3	-57.8	-67.3	0	0	109.9	I363 F365 L368 S468 E478 H531	I363-M495 HydrophobicContact CD1-SD 4.24Å; I363-M495 HydrophobicContact CG1-CE 4.05Å; I363-M495 HydrophobicContact CG1-SD 4.2Å; I363-M495 WeakPolarHBondContact O-CE 3.31Å; F365-M495 HydrophobicContact CB-CG 3.9Å; F365-M495 HydrophobicContact CD2-CG 3.93Å; F365-M495 HydrophobicContact CG-CG 4.38Å; L368-M495 HydrophobicContact CB-SD 4.34Å; L368-M495 HydrophobicContact CD2-SD 4.23Å; S468-M495 PolarHBondContact N-O 2.9Å; E478-M495 HydrophobicContact CB-CB 3.78Å; E478-M495 HydrophobicContact CB-CG 3.83Å; E478-M495 PolarHBondContact O-N 3.27Å; E478-M495 VanDerWaalsContact OE2-CB 3.26Å; E478-M495 WeakPolarHBondContact OE2-CB 3.17Å; E478-M495 WeakPolarHBondContact OE2-CG 3.36Å; M495-H531 VanDerWaalsContact CE-O 3.25Å; M495-H531 WeakPolarHBondContact CE-O 3.47Å
496	R	97.9	Very high	94.7	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.011	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-110.2	142.9	-175.2	-39.6	-52.7	176.7	171	17.6	111.6	Q319 E359 Y466 S468 S494 W498 H531 G533	Q319-R496 VanDerWaalsContact CD-NH1 3.32Å; E359-R496 VanDerWaalsContact OE1-CG 3.23Å; E359-R496 WeakPolarHBondContact OE1-CG 3.5Å; E359-R496 IonicContact OE1-CZ 2.86Å; E359-R496 IonicContact OE1-NE 2.93Å; E359-R496 PolarHBondContact OE1-NE 2.99Å; E359-R496 IonicContact OE1-NH2 3.27Å; E359-R496 IonicContact OE2-CZ 3.31Å; E359-R496 IonicContact OE2-NE 2.81Å; E359-R496 PolarHBondContact OE2-NE 3.4Å; E359-R496 IonicContact OE2-NH2 3.41Å; E359-R496 PolarHBondContact OE2-NH2 3.32Å; Y466-R496 WeakPolarHBondContact O-CA 3.43Å; S468-R496 PolarHBondContact OG-N 2.71Å; S468-R496 PolarHBondContact OG-O 2.95Å; S494-R496 PolarHBondContact O-NE 2.99Å; S494-R496 PolarHBondContact OG-NH1 3.17Å; R496-W498 PolarHBondContact O-N 2.92Å; R496-H531 WeakPolarHBondContact CB-NE2 3.44Å; R496-H531 VanDerWaalsContact CG-CD2 3.44Å; R496-H531 WeakPolarHBondContact CG-CD2 3.4Å; R496-H531 PolarHBondContact N-O 2.59Å; R496-G533 PolarHBondContact NH2-O 2.86Å
497	I	97.4	Very high	95	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.147	C	C	.	.			trans	-58.1	117.3	174.1	-63.3	172.2	0	0	0	108.3	F465 Y466 S468 E502 L503 A506 R524	F465-I497 WeakPolarHBondContact O-CD1 3.49Å; Y466-I497 PolarHBondContact O-N 3.27Å; S468-I497 PolarHBondContact OG-N 3.44Å; I497-E502 HydrophobicContact CD1-CG 4.34Å; I497-E502 HydrophobicContact CG1-CG 4.48Å; I497-E502 HydrophobicContact CG2-CB 3.69Å; I497-E502 HydrophobicContact CG2-CG 3.72Å; I497-L503 HydrophobicContact CG2-CB 3.89Å; I497-A506 HydrophobicContact CD1-CB 3.95Å; I497-R524 PolarHBondContact O-NE 3.38Å; I497-R524 PolarHBondContact O-NH2 3.38Å
498	W	96.7	Very high	95.2	Very high	72 Å²	72	36.7 Å²	36.7	27%	0.273	17%	0.174	S	C	.	.			trans	-112	-3.4	-176.4	66.3	-84.5	0	0	0	112.9	R496 R524 S528 C529 P530 I770	R496-W498 PolarHBondContact O-N 2.92Å; W498-R524 WeakPolarHBondContact O-CG 3.43Å; W498-S528 WeakPolarHBondContact O-CB 3.48Å; W498-S528 PolarHBondContact O-OG 3.03Å; W498-C529 WeakPolarHBondContact CB-O 3.44Å; W498-P530 HydrophobicContact CD2-CG 4.28Å; W498-P530 HydrophobicContact CZ2-CG 4.18Å; W498-I770 HydrophobicContact CZ3-CG2 4.31Å
499	K	94.1	Very high	95	Very high	109 Å²	109	40.2 Å²	40.2	47%	0.474	19%	0.188	S	C	.	.	S	Bend	trans	-92.4	130.6	171.7	-65.7	-178.7	179.7	178.9	0	109.9	Q501 E502 L503	K499-Q501 PolarHBondContact O-N 2.99Å; K499-E502 HydrophobicContact CB-CB 4.04Å; K499-E502 PolarHBondContact O-N 3.28Å; K499-L503 PolarHBondContact O-N 3.1Å; K499-L503 VanDerWaalsContact O-N 3.12Å
500	E	94.1	Very high	94.7	Very high	82 Å²	82	42.2 Å²	42.2	38%	0.383	20%	0.197	S	C	.	.	H	α-helix	trans	-56.7	-52.4	-178.2	-177.2	-177.9	-174.2	0	0	112	E502 L503 M504 R524 K525	E500-E502 VanDerWaalsContact C-N 3.32Å; E500-E502 PolarHBondContact O-N 2.98Å; E500-L503 WeakPolarHBondContact O-CB 3.19Å; E500-L503 PolarHBondContact O-N 3.14Å; E500-L503 VanDerWaalsContact O-N 3.15Å; E500-M504 HydrophobicContact CG-CG 4.48Å; E500-M504 WeakPolarHBondContact O-CG 3.35Å; E500-M504 PolarHBondContact O-N 2.85Å; E500-R524 HydrophobicContact CB-CB 4Å; E500-K525 HydrophobicContact CG-CG 4.36Å; E500-K525 WeakPolarHBondContact OE1-CE 3.49Å; E500-K525 WeakPolarHBondContact OE1-CG 3.28Å
501	Q	93.5	Very high	94.5	Very high	126 Å²	126	45.6 Å²	45.6	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-61.6	-40.7	-177.4	-172.7	59.7	53.4	0	0	112.3	K499 L503 M504 D505	K499-Q501 PolarHBondContact O-N 2.99Å; Q501-L503 VanDerWaalsContact C-N 3.29Å; Q501-L503 PolarHBondContact O-N 2.99Å; Q501-M504 PolarHBondContact O-N 3.07Å; Q501-D505 PolarHBondContact NE2-OD1 2.99Å; Q501-D505 WeakPolarHBondContact O-CB 3.4Å; Q501-D505 PolarHBondContact O-N 3.09Å
502	E	94	Very high	94.2	Very high	46 Å²	46	46.6 Å²	46.6	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-36.3	178.8	-172.6	-177.1	166.4	0	0	111.7	I497 K499 E500 A506	I497-E502 HydrophobicContact CD1-CG 4.34Å; I497-E502 HydrophobicContact CG1-CG 4.48Å; I497-E502 HydrophobicContact CG2-CB 3.69Å; I497-E502 HydrophobicContact CG2-CG 3.72Å; K499-E502 HydrophobicContact CB-CB 4.04Å; K499-E502 PolarHBondContact O-N 3.28Å; E500-E502 VanDerWaalsContact C-N 3.32Å; E500-E502 PolarHBondContact O-N 2.98Å; E502-A506 WeakPolarHBondContact O-CB 3.34Å; E502-A506 PolarHBondContact O-N 3.49Å
503	L	95.4	Very high	94	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-43.8	175.6	177.4	60.8	0	0	0	111.3	F465 I497 K499 E500 Q501 D505 A506 F507 F520 T521 R524	F465-L503 HydrophobicContact CD2-CD1 4.43Å; F465-L503 HydrophobicContact CE2-CD1 4.18Å; I497-L503 HydrophobicContact CG2-CB 3.89Å; K499-L503 PolarHBondContact O-N 3.1Å; K499-L503 VanDerWaalsContact O-N 3.12Å; E500-L503 WeakPolarHBondContact O-CB 3.19Å; E500-L503 PolarHBondContact O-N 3.14Å; E500-L503 VanDerWaalsContact O-N 3.15Å; Q501-L503 VanDerWaalsContact C-N 3.29Å; Q501-L503 PolarHBondContact O-N 2.99Å; L503-D505 VanDerWaalsContact C-N 3.32Å; L503-D505 PolarHBondContact O-N 3.05Å; L503-A506 WeakPolarHBondContact O-CA 3.27Å; L503-A506 WeakPolarHBondContact O-CB 3.26Å; L503-A506 PolarHBondContact O-N 3.05Å; L503-A506 VanDerWaalsContact O-N 3.09Å; L503-F507 HydrophobicContact CD1-CD2 4.26Å; L503-F507 HydrophobicContact CD1-CE2 3.84Å; L503-F507 HydrophobicContact CD1-CZ 4.31Å; L503-F507 HydrophobicContact CD2-CE2 4.17Å; L503-F507 HydrophobicContact CG-CD2 4.09Å; L503-F507 HydrophobicContact CG-CE2 3.72Å; L503-F507 WeakPolarHBondContact O-CD2 3.35Å; L503-F507 PolarHBondContact O-N 3.29Å; L503-F520 HydrophobicContact CD1-CD1 4.42Å; L503-F520 HydrophobicContact CD1-CE1 3.8Å; L503-F520 HydrophobicContact CD2-CD1 3.87Å; L503-F520 HydrophobicContact CD2-CE1 3.78Å; L503-F520 HydrophobicContact CG-CE1 4.45Å; L503-T521 HydrophobicContact CD2-CG2 4.28Å; L503-R524 HydrophobicContact CD2-CG 4.17Å
504	M	95.8	Very high	93.8	Very high	65 Å²	65	51.5 Å²	51.5	32%	0.32	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.6	-65.8	-55.4	-66.5	0	0	111.8	E500 Q501 A506 F507 K508 P514 T521	E500-M504 HydrophobicContact CG-CG 4.48Å; E500-M504 WeakPolarHBondContact O-CG 3.35Å; E500-M504 PolarHBondContact O-N 2.85Å; Q501-M504 PolarHBondContact O-N 3.07Å; M504-A506 VanDerWaalsContact C-N 3.29Å; M504-A506 PolarHBondContact O-N 3.48Å; M504-F507 PolarHBondContact O-N 2.69Å; M504-F507 HydrophobicContact SD-CD2 4.32Å; M504-K508 PolarHBondContact O-N 3.23Å; M504-P514 HydrophobicContact CE-CB 3.9Å; M504-P514 HydrophobicContact CE-CG 3.8Å; M504-P514 HydrophobicContact SD-CB 4.26Å; M504-T521 HydrophobicContact SD-CG2 4.04Å
505	D	93.8	Very high	93.6	Very high	47 Å²	47	58.6 Å²	58.6	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-35.6	173.7	-67.3	-15.1	0	0	0	111.3	Q501 L503 K508 R509	Q501-D505 PolarHBondContact NE2-OD1 2.99Å; Q501-D505 WeakPolarHBondContact O-CB 3.4Å; Q501-D505 PolarHBondContact O-N 3.09Å; L503-D505 VanDerWaalsContact C-N 3.32Å; L503-D505 PolarHBondContact O-N 3.05Å; D505-K508 PolarHBondContact O-N 3.33Å; D505-R509 WeakPolarHBondContact O-CB 3.36Å; D505-R509 VanDerWaalsContact O-CG 3.26Å; D505-R509 WeakPolarHBondContact O-CG 3.16Å; D505-R509 PolarHBondContact O-N 3.1Å
506	A	92.6	Very high	93.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-44.1	175.5	0	0	0	0	0	112.5	F465 I497 E502 L503 M504 R509 H510	F465-A506 HydrophobicContact CB-CB 4.41Å; F465-A506 HydrophobicContact CD2-CB 4.37Å; F465-A506 WeakPolarHBondContact O-CB 3.26Å; I497-A506 HydrophobicContact CD1-CB 3.95Å; E502-A506 WeakPolarHBondContact O-CB 3.34Å; E502-A506 PolarHBondContact O-N 3.49Å; L503-A506 WeakPolarHBondContact O-CA 3.27Å; L503-A506 WeakPolarHBondContact O-CB 3.26Å; L503-A506 PolarHBondContact O-N 3.05Å; L503-A506 VanDerWaalsContact O-N 3.09Å; M504-A506 VanDerWaalsContact C-N 3.29Å; M504-A506 PolarHBondContact O-N 3.48Å; A506-R509 PolarHBondContact O-N 3.42Å; A506-H510 PolarHBondContact O-N 2.87Å; A506-H510 PolarHBondContact O-ND1 3.29Å
507	F	93.1	Very high	93.2	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-50.1	172.8	-78.1	-58.3	0	0	0	111.1	F465 L503 M504 R509 H510 G511 I512 P514 Y517 F520 T521	F465-F507 HydrophobicContact CD2-CD1 4.28Å; F465-F507 HydrophobicContact CD2-CE1 4.24Å; F465-F507 AromaticContact CE2-CD1 3.88Å; F465-F507 HydrophobicContact CE2-CD1 3.88Å; F465-F507 AromaticContact CE2-CE1 3.41Å; F465-F507 HydrophobicContact CE2-CE1 3.41Å; F465-F507 VanDerWaalsContact CE2-CE1 3.41Å; F465-F507 AromaticContact CE2-CZ 3.81Å; F465-F507 HydrophobicContact CE2-CZ 3.81Å; F465-F507 HydrophobicContact CZ-CD1 4.47Å; F465-F507 AromaticContact CZ-CE1 3.77Å; F465-F507 HydrophobicContact CZ-CE1 3.77Å; F465-F507 HydrophobicContact CZ-CZ 4.33Å; L503-F507 HydrophobicContact CD1-CD2 4.26Å; L503-F507 HydrophobicContact CD1-CE2 3.84Å; L503-F507 HydrophobicContact CD1-CZ 4.31Å; L503-F507 HydrophobicContact CD2-CE2 4.17Å; L503-F507 HydrophobicContact CG-CD2 4.09Å; L503-F507 HydrophobicContact CG-CE2 3.72Å; L503-F507 WeakPolarHBondContact O-CD2 3.35Å; L503-F507 PolarHBondContact O-N 3.29Å; M504-F507 PolarHBondContact O-N 2.69Å; M504-F507 HydrophobicContact SD-CD2 4.32Å; F507-R509 VanDerWaalsContact C-N 3.34Å; F507-R509 PolarHBondContact O-N 2.89Å; F507-H510 PolarHBondContact O-N 2.88Å; F507-G511 PolarHBondContact O-N 3.08Å; F507-G511 VanDerWaalsContact O-N 3.08Å; F507-I512 HydrophobicContact CD1-CB 3.83Å; F507-I512 HydrophobicContact CD1-CG2 3.58Å; F507-I512 HydrophobicContact CE1-CG2 3.86Å; F507-I512 PolarHBondContact O-N 3.34Å; F507-I512 VanDerWaalsContact O-N 3.1Å; F507-P514 HydrophobicContact CB-CB 4.44Å; F507-P514 HydrophobicContact CD2-CB 3.85Å; F507-P514 HydrophobicContact CE2-CB 4.22Å; F507-P514 HydrophobicContact CG-CB 4.1Å; F507-Y517 HydrophobicContact CE1-CD1 4.25Å; F507-Y517 AromaticContact CE1-CD2 3.94Å; F507-Y517 HydrophobicContact CE1-CD2 3.94Å; F507-Y517 HydrophobicContact CE1-CE2 4.34Å; F507-Y517 AromaticContact CE1-CG 3.9Å; F507-Y517 HydrophobicContact CE1-CG 3.9Å; F507-Y517 HydrophobicContact CZ-CD1 4.16Å; F507-Y517 HydrophobicContact CZ-CD2 4.24Å; F507-Y517 AromaticContact CZ-CG 3.79Å; F507-Y517 HydrophobicContact CZ-CG 3.79Å; F507-F520 HydrophobicContact CZ-CD1 4.22Å; F507-T521 HydrophobicContact CE2-CG2 3.83Å
508	K	93.5	Very high	93.1	Very high	137 Å²	137	64.1 Å²	64.1	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-57.8	-44.2	177.7	-170.7	-171	177.1	-149.7	0	112.1	M504 D505 H510 G511 E646	M504-K508 PolarHBondContact O-N 3.23Å; D505-K508 PolarHBondContact O-N 3.33Å; K508-H510 VanDerWaalsContact C-N 3.29Å; K508-H510 PolarHBondContact O-N 2.78Å; K508-G511 PolarHBondContact O-N 3.12Å; K508-E646 IonicContact NZ-OE1 3.49Å; K508-E646 IonicContact NZ-OE2 3.01Å; K508-E646 PolarHBondContact NZ-OE2 2.87Å
509	R	89.2	Confident	93	Very high	74 Å²	74	60.8 Å²	60.8	28%	0.279	31%	0.308	S	S	.	.	H	α-helix	trans	-62.6	-31.9	179.7	-77.7	-174.6	-58.4	-115.5	0.7	113.6	D505 A506 F507 T643	D505-R509 WeakPolarHBondContact O-CB 3.36Å; D505-R509 VanDerWaalsContact O-CG 3.26Å; D505-R509 WeakPolarHBondContact O-CG 3.16Å; D505-R509 PolarHBondContact O-N 3.1Å; A506-R509 PolarHBondContact O-N 3.42Å; F507-R509 VanDerWaalsContact C-N 3.34Å; F507-R509 PolarHBondContact O-N 2.89Å; R509-T643 HydrophobicContact CB-CG2 4.49Å; R509-T643 HydrophobicContact CG-CG2 3.9Å
510	H	88	Confident	93.1	Very high	86 Å²	86	55.6 Å²	55.6	40%	0.398	29%	0.286	S	S	.	.	H	α-helix	trans	-98.9	1.8	-177.9	-64.5	81.3	0	0	0	113.2	F465 A506 F507 K508 I512	F465-H510 HydrophobicContact CB-CB 4.45Å; F465-H510 VanDerWaalsContact CB-CE1 3.42Å; F465-H510 WeakPolarHBondContact CB-CE1 3.42Å; F465-H510 VanDerWaalsContact CB-ND1 3.32Å; F465-H510 WeakPolarHBondContact CB-ND1 3.29Å; A506-H510 PolarHBondContact O-N 2.87Å; A506-H510 PolarHBondContact O-ND1 3.29Å; F507-H510 PolarHBondContact O-N 2.88Å; K508-H510 VanDerWaalsContact C-N 3.29Å; K508-H510 PolarHBondContact O-N 2.78Å; H510-I512 VanDerWaalsContact C-N 3.25Å; H510-I512 HydrophobicContact CB-CD1 3.88Å; H510-I512 HydrophobicContact CB-CG1 3.99Å; H510-I512 PolarHBondContact O-N 3.41Å
511	G	89.4	Confident	93.3	Very high	73 Å²	73	52.1 Å²	52.1	75%	0.753	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	29.6	-178.7	0	0	0	0	0	113.3	F507 K508	F507-G511 PolarHBondContact O-N 3.08Å; F507-G511 VanDerWaalsContact O-N 3.08Å; K508-G511 PolarHBondContact O-N 3.12Å
512	I	89.6	Confident	93.4	Very high	22 Å²	22	46.9 Å²	46.9	11%	0.113	25%	0.246	C	C	.	.			trans	-96.8	130.3	179	-60.3	171.9	0	0	0	108.1	F465 F507 H510 P514 Y517	F465-I512 HydrophobicContact CD1-CD1 3.71Å; F465-I512 HydrophobicContact CE1-CD1 3.89Å; F465-I512 HydrophobicContact CG-CD1 4.14Å; F465-I512 HydrophobicContact CZ-CD1 4.46Å; F507-I512 HydrophobicContact CD1-CB 3.83Å; F507-I512 HydrophobicContact CD1-CG2 3.58Å; F507-I512 HydrophobicContact CE1-CG2 3.86Å; F507-I512 PolarHBondContact O-N 3.34Å; F507-I512 VanDerWaalsContact O-N 3.1Å; H510-I512 VanDerWaalsContact C-N 3.25Å; H510-I512 HydrophobicContact CB-CD1 3.88Å; H510-I512 HydrophobicContact CB-CG1 3.99Å; H510-I512 PolarHBondContact O-N 3.41Å; I512-P514 WeakPolarHBondContact O-CD 3.3Å; I512-Y517 HydrophobicContact CG2-CD2 4.34Å; I512-Y517 HydrophobicContact CG2-CE2 3.72Å
513	D	92.1	Very high	93.5	Very high	90 Å²	90	45.1 Å²	45.1	48%	0.481	24%	0.238	S	C	.	.			trans	-69.2	121	172.5	-177.6	4.9	0	0	0	110.1	E515 P516 Y517	D513-E515 VanDerWaalsContact C-N 3.3Å; D513-E515 PolarHBondContact O-N 3.1Å; D513-E515 WeakPolarHBondContact OD1-CB 3.49Å; D513-E515 PolarHBondContact OD1-N 2.81Å; D513-P516 WeakPolarHBondContact O-CD 3.48Å; D513-Y517 WeakPolarHBondContact O-CD2 3.37Å
514	P	93.3	Very high	93.6	Very high	40 Å²	40	45.7 Å²	45.7	26%	0.26	24%	0.24	S	C	.	.	S	Bend	trans	-74.3	-14.6	178.2	30.8	-36.4	0	0	0	113.9	M504 F507 I512 Y517 Y518	M504-P514 HydrophobicContact CE-CB 3.9Å; M504-P514 HydrophobicContact CE-CG 3.8Å; M504-P514 HydrophobicContact SD-CB 4.26Å; F507-P514 HydrophobicContact CB-CB 4.44Å; F507-P514 HydrophobicContact CD2-CB 3.85Å; F507-P514 HydrophobicContact CE2-CB 4.22Å; F507-P514 HydrophobicContact CG-CB 4.1Å; I512-P514 WeakPolarHBondContact O-CD 3.3Å; P514-Y517 CarbonylContact O-C 3.5Å; P514-Y517 WeakPolarHBondContact O-CA 3.38Å; P514-Y517 WeakPolarHBondContact O-CB 3.48Å; P514-Y517 PolarHBondContact O-N 3.12Å; P514-Y518 PolarHBondContact O-N 2.94Å
515	E	93.3	Very high	93.6	Very high	150 Å²	150	45.9 Å²	45.9	70%	0.701	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-57.8	-48	-174.8	-178.9	177.2	-179.7	0	0	113.2	D513 Y517 Y518	D513-E515 VanDerWaalsContact C-N 3.3Å; D513-E515 PolarHBondContact O-N 3.1Å; D513-E515 WeakPolarHBondContact OD1-CB 3.49Å; D513-E515 PolarHBondContact OD1-N 2.81Å; E515-Y517 PolarHBondContact O-N 2.96Å; E515-Y518 PolarHBondContact O-N 2.79Å
516	P	92.7	Very high	93.6	Very high	57 Å²	57	44.7 Å²	44.7	37%	0.37	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-65	-12.2	175.2	-21.8	34.9	0	0	0	114.5	T294 D513 W519	T294-P516 HydrophobicContact CG2-CB 4.1Å; D513-P516 WeakPolarHBondContact O-CD 3.48Å; P516-W519 PolarHBondContact O-NE1 3.02Å
517	Y	95.3	Very high	93.8	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.027	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-104.7	17.8	-178	-63.8	-95.4	0	0	0	112.5	T294 Q295 L320 F507 I512 D513 P514 E515 W519 F520 T521	T294-Y517 HydrophobicContact CG2-CD1 4.15Å; T294-Y517 HydrophobicContact CG2-CD2 4.41Å; T294-Y517 HydrophobicContact CG2-CE1 3.87Å; T294-Y517 HydrophobicContact CG2-CE2 4.13Å; T294-Y517 HydrophobicContact CG2-CG 4.41Å; Q295-Y517 WeakPolarHBondContact CG-OH 3.24Å; Q295-Y517 PolarHBondContact N-OH 2.88Å; Q295-Y517 PolarHBondContact O-OH 2.98Å; L320-Y517 HydrophobicContact CD1-CD1 4.11Å; L320-Y517 HydrophobicContact CD1-CE1 3.78Å; F507-Y517 HydrophobicContact CE1-CD1 4.25Å; F507-Y517 AromaticContact CE1-CD2 3.94Å; F507-Y517 HydrophobicContact CE1-CD2 3.94Å; F507-Y517 HydrophobicContact CE1-CE2 4.34Å; F507-Y517 AromaticContact CE1-CG 3.9Å; F507-Y517 HydrophobicContact CE1-CG 3.9Å; F507-Y517 HydrophobicContact CZ-CD1 4.16Å; F507-Y517 HydrophobicContact CZ-CD2 4.24Å; F507-Y517 AromaticContact CZ-CG 3.79Å; F507-Y517 HydrophobicContact CZ-CG 3.79Å; I512-Y517 HydrophobicContact CG2-CD2 4.34Å; I512-Y517 HydrophobicContact CG2-CE2 3.72Å; D513-Y517 WeakPolarHBondContact O-CD2 3.37Å; P514-Y517 CarbonylContact O-C 3.5Å; P514-Y517 WeakPolarHBondContact O-CA 3.38Å; P514-Y517 WeakPolarHBondContact O-CB 3.48Å; P514-Y517 PolarHBondContact O-N 3.12Å; E515-Y517 PolarHBondContact O-N 2.96Å; Y517-W519 VanDerWaalsContact C-N 3.26Å; Y517-W519 PolarHBondContact O-N 3.37Å; Y517-F520 WeakPolarHBondContact O-CA 3.45Å; Y517-F520 VanDerWaalsContact O-CB 3.28Å; Y517-F520 WeakPolarHBondContact O-CB 3.29Å; Y517-F520 PolarHBondContact O-N 3.07Å; Y517-T521 PolarHBondContact O-N 3.5Å
518	Y	95	Very high	93.9	Very high	62 Å²	62	45 Å²	45	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-50.2	-46.2	-177.7	71	-88.1	0	0	0	112.6	P514 E515 F520 T521 D522 D793 H796	P514-Y518 PolarHBondContact O-N 2.94Å; E515-Y518 PolarHBondContact O-N 2.79Å; Y518-F520 PolarHBondContact O-N 3.36Å; Y518-T521 PolarHBondContact O-N 3.14Å; Y518-T521 VanDerWaalsContact O-N 3.16Å; Y518-T521 PolarHBondContact O-OG1 3.19Å; Y518-D522 WeakPolarHBondContact O-CB 3.29Å; Y518-D522 VanDerWaalsContact O-CG 3.22Å; Y518-D522 PolarHBondContact O-N 2.97Å; Y518-D793 VanDerWaalsContact CE2-O 3.23Å; Y518-D793 WeakPolarHBondContact CE2-O 3.27Å; Y518-D793 PolarHBondContact OH-O 3.11Å; Y518-H796 AromaticContact CE2-CE1 3.78Å
519	W	95.8	Very high	94.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-26.2	178	51.3	-89.2	0	0	0	113.9	T294 L320 Y321 T324 P516 Y517 Q523 H796 P1110	T294-W519 HydrophobicContact CG2-CZ2 4.12Å; L320-W519 HydrophobicContact CB-CH2 3.63Å; L320-W519 HydrophobicContact CB-CZ3 3.75Å; L320-W519 HydrophobicContact CD1-CH2 4.15Å; Y321-W519 HydrophobicContact CD1-CH2 4.41Å; Y321-W519 HydrophobicContact CD1-CZ3 4.36Å; Y321-W519 HydrophobicContact CE1-CH2 4.24Å; T324-W519 HydrophobicContact CG2-CE3 3.71Å; T324-W519 HydrophobicContact CG2-CZ3 4.08Å; P516-W519 PolarHBondContact O-NE1 3.02Å; Y517-W519 VanDerWaalsContact C-N 3.26Å; Y517-W519 PolarHBondContact O-N 3.37Å; W519-Q523 WeakPolarHBondContact O-CG 3.37Å; W519-Q523 PolarHBondContact O-NE2 2.72Å; W519-H796 HydrophobicContact CB-CB 4.34Å; W519-P1110 HydrophobicContact CB-CG 4.37Å; W519-P1110 HydrophobicContact CD2-CG 3.61Å; W519-P1110 HydrophobicContact CE3-CG 4.36Å; W519-P1110 HydrophobicContact CG-CB 4.28Å; W519-P1110 HydrophobicContact CG-CG 3.58Å; W519-P1110 HydrophobicContact CZ2-CG 4.19Å
520	F	96.7	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-81.9	-42.4	175.1	-175	-111.4	0	0	0	111.4	L320 E323 L503 F507 Y517 Y518 D522 Q523 R524	L320-F520 HydrophobicContact CB-CD2 4.08Å; L320-F520 HydrophobicContact CB-CE2 4.21Å; L320-F520 HydrophobicContact CD2-CD2 4.02Å; L320-F520 HydrophobicContact CD2-CE1 4.35Å; L320-F520 HydrophobicContact CD2-CE2 3.46Å; L320-F520 VanDerWaalsContact CD2-CE2 3.46Å; L320-F520 HydrophobicContact CD2-CZ 3.67Å; L320-F520 HydrophobicContact CG-CE2 4.36Å; E323-F520 HydrophobicContact CB-CE2 4.33Å; E323-F520 VanDerWaalsContact CD-CE2 3.43Å; E323-F520 HydrophobicContact CG-CE2 4.46Å; E323-F520 WeakPolarHBondContact OE2-CE2 3.45Å; E323-F520 WeakPolarHBondContact OE2-CZ 3.29Å; L503-F520 HydrophobicContact CD1-CD1 4.42Å; L503-F520 HydrophobicContact CD1-CE1 3.8Å; L503-F520 HydrophobicContact CD2-CD1 3.87Å; L503-F520 HydrophobicContact CD2-CE1 3.78Å; L503-F520 HydrophobicContact CG-CE1 4.45Å; F507-F520 HydrophobicContact CZ-CD1 4.22Å; Y517-F520 WeakPolarHBondContact O-CA 3.45Å; Y517-F520 VanDerWaalsContact O-CB 3.28Å; Y517-F520 WeakPolarHBondContact O-CB 3.29Å; Y517-F520 PolarHBondContact O-N 3.07Å; Y518-F520 PolarHBondContact O-N 3.36Å; F520-D522 VanDerWaalsContact C-N 3.31Å; F520-D522 PolarHBondContact O-N 2.88Å; F520-Q523 WeakPolarHBondContact O-CB 3.18Å; F520-Q523 PolarHBondContact O-N 3.47Å; F520-R524 VanDerWaalsContact CE2-NH1 3.34Å
521	T	96.3	Very high	95	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-34.6	174.4	66.2	0	0	0	0	112	L503 M504 F507 Y517 Y518 Q523 R524 K525	L503-T521 HydrophobicContact CD2-CG2 4.28Å; M504-T521 HydrophobicContact SD-CG2 4.04Å; F507-T521 HydrophobicContact CE2-CG2 3.83Å; Y517-T521 PolarHBondContact O-N 3.5Å; Y518-T521 PolarHBondContact O-N 3.14Å; Y518-T521 VanDerWaalsContact O-N 3.16Å; Y518-T521 PolarHBondContact O-OG1 3.19Å; T521-Q523 PolarHBondContact O-N 3.3Å; T521-R524 WeakPolarHBondContact O-CA 3.33Å; T521-R524 WeakPolarHBondContact O-CB 3.4Å; T521-R524 PolarHBondContact O-N 3.49Å; T521-K525 PolarHBondContact O-N 2.96Å
522	D	96.1	Very high	95.5	Very high	16 Å²	16	29.7 Å²	29.7	9%	0.086	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-25.4	178.1	-75.6	-9.8	0	0	0	112.6	Y518 F520 R524 K525 Y526 H796	Y518-D522 WeakPolarHBondContact O-CB 3.29Å; Y518-D522 VanDerWaalsContact O-CG 3.22Å; Y518-D522 PolarHBondContact O-N 2.97Å; F520-D522 VanDerWaalsContact C-N 3.31Å; F520-D522 PolarHBondContact O-N 2.88Å; D522-R524 PolarHBondContact O-N 2.79Å; D522-K525 PolarHBondContact O-N 3.13Å; D522-K525 VanDerWaalsContact O-N 3.09Å; D522-K525 IonicContact OD1-NZ 3.95Å; D522-K525 PolarHBondContact OD1-NZ 2.94Å; D522-Y526 HydrophobicContact CB-CD2 4.09Å; D522-Y526 HydrophobicContact CB-CE2 4.39Å; D522-Y526 WeakPolarHBondContact O-CD2 3.2Å; D522-Y526 PolarHBondContact O-N 3.39Å; D522-H796 IonicContact OD2-CD2 3.57Å; D522-H796 IonicContact OD2-CE1 2.74Å; D522-H796 IonicContact OD2-NE2 3.49Å; D522-H796 PolarHBondContact OD2-NE2 2.8Å
523	Q	97.2	Very high	95.9	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-23.1	171.4	-52	-48	-43.1	0	0	112.3	T324 W519 F520 T521 S528 H796	T324-Q523 HydrophobicContact CG2-CG 4.18Å; W519-Q523 WeakPolarHBondContact O-CG 3.37Å; W519-Q523 PolarHBondContact O-NE2 2.72Å; F520-Q523 WeakPolarHBondContact O-CB 3.18Å; F520-Q523 PolarHBondContact O-N 3.47Å; T521-Q523 PolarHBondContact O-N 3.3Å; Q523-S528 WeakPolarHBondContact O-CA 3.25Å; Q523-S528 PolarHBondContact O-OG 3.16Å; Q523-H796 PolarHBondContact NE2-CD2 2.76Å
524	R	97.2	Very high	96.2	Very high	13 Å²	13	24.6 Å²	24.6	5%	0.049	12%	0.124	C	C	.	.	H	α-helix	trans	-88.7	-22.2	177.3	-75.3	66.6	-174.9	164.8	8.2	112.1	E323 I497 W498 E500 L503 F520 T521 D522 H531	E323-R524 IonicContact OE2-CZ 2.88Å; E323-R524 VanDerWaalsContact OE2-CZ 3.27Å; E323-R524 IonicContact OE2-NH1 2.89Å; E323-R524 PolarHBondContact OE2-NH1 2.85Å; E323-R524 IonicContact OE2-NH2 2.84Å; E323-R524 PolarHBondContact OE2-NH2 3.46Å; I497-R524 PolarHBondContact O-NE 3.38Å; I497-R524 PolarHBondContact O-NH2 3.38Å; W498-R524 WeakPolarHBondContact O-CG 3.43Å; E500-R524 HydrophobicContact CB-CB 4Å; L503-R524 HydrophobicContact CD2-CG 4.17Å; F520-R524 VanDerWaalsContact CE2-NH1 3.34Å; T521-R524 WeakPolarHBondContact O-CA 3.33Å; T521-R524 WeakPolarHBondContact O-CB 3.4Å; T521-R524 PolarHBondContact O-N 3.49Å; D522-R524 PolarHBondContact O-N 2.79Å; R524-H531 PolarHBondContact NH2-CE1 3.15Å; R524-H531 PolarHBondContact NH2-NE2 3.4Å
525	K	94.4	Very high	96.4	Very high	68 Å²	68	23.3 Å²	23.3	30%	0.296	12%	0.118	S	C	.	.	H	α-helix	trans	-86.6	-43.7	176.6	-64.9	174	-169.2	155	0	113.1	E500 T521 D522 G527 S773 P774	E500-K525 HydrophobicContact CG-CG 4.36Å; E500-K525 WeakPolarHBondContact OE1-CE 3.49Å; E500-K525 WeakPolarHBondContact OE1-CG 3.28Å; T521-K525 PolarHBondContact O-N 2.96Å; D522-K525 PolarHBondContact O-N 3.13Å; D522-K525 VanDerWaalsContact O-N 3.09Å; D522-K525 IonicContact OD1-NZ 3.95Å; D522-K525 PolarHBondContact OD1-NZ 2.94Å; K525-G527 PolarHBondContact O-N 3.08Å; K525-S773 WeakPolarHBondContact O-CA 3.46Å; K525-P774 WeakPolarHBondContact O-CD 3.02Å
526	Y	95.6	Very high	96.5	Very high	23 Å²	23	16.2 Å²	16.2	9%	0.09	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	73.5	-174.2	-69.1	-92.2	0	0	0	110.5	D522 P774 V781 L797 R800	D522-Y526 HydrophobicContact CB-CD2 4.09Å; D522-Y526 HydrophobicContact CB-CE2 4.39Å; D522-Y526 WeakPolarHBondContact O-CD2 3.2Å; D522-Y526 PolarHBondContact O-N 3.39Å; Y526-P774 HydrophobicContact CD1-CG 4.47Å; Y526-P774 HydrophobicContact CE1-CB 4.45Å; Y526-P774 HydrophobicContact CE1-CG 3.97Å; Y526-P774 HydrophobicContact CE2-CG 4.43Å; Y526-V781 WeakPolarHBondContact OH-CG2 3.35Å; Y526-L797 HydrophobicContact CD2-CD2 4.07Å; Y526-L797 HydrophobicContact CE2-CD1 4.36Å; Y526-L797 HydrophobicContact CG-CD2 4.07Å; Y526-R800 PolarHBondContact O-NH1 3.04Å; Y526-R800 PolarHBondContact O-NH2 3.42Å
527	G	94.9	Very high	96.6	Very high	1 Å²	1	14 Å²	14	1%	0.01	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	63.8	177.2	0	0	0	0	0	113.8	K525 W695 E738 S740 E772	K525-G527 PolarHBondContact O-N 3.08Å; G527-W695 PolarHBondContact O-NE1 3.43Å; G527-E738 WeakPolarHBondContact CA-O 3.21Å; G527-E738 PolarHBondContact N-O 3.21Å; G527-S740 WeakPolarHBondContact O-CB 3.2Å; G527-E772 WeakPolarHBondContact CA-O 3.4Å; G527-E772 PolarHBondContact N-O 3.12Å
528	S	97.2	Very high	96.7	Very high	5 Å²	5	13.7 Å²	13.7	4%	0.035	7%	0.071	C	C	.	.			trans	-65.1	160.3	177.6	-148.8	0	0	0	0	113.4	W498 Q523 S740	W498-S528 WeakPolarHBondContact O-CB 3.48Å; W498-S528 PolarHBondContact O-OG 3.03Å; Q523-S528 WeakPolarHBondContact O-CA 3.25Å; Q523-S528 PolarHBondContact O-OG 3.16Å; S528-S740 WeakPolarHBondContact O-CB 3.34Å; S528-S740 PolarHBondContact O-OG 3.15Å
529	C	97.7	Very high	96.7	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.034	6%	0.06	C	C	.	.			trans	-145.4	154.6	176.2	66	0	0	0	0	111.2	F362 W498 H531	F362-C529 HydrophobicContact CD1-CB 3.65Å; F362-C529 HydrophobicContact CE1-CB 3.32Å; F362-C529 HydrophobicContact CG-CB 4.47Å; F362-C529 HydrophobicContact CZ-CB 3.93Å; W498-C529 WeakPolarHBondContact CB-O 3.44Å; C529-H531 PolarHBondContact O-N 3.4Å; C529-H531 PolarHBondContact O-ND1 2.95Å
530	P	97.5	Very high	96.7	Very high	39 Å²	39	12 Å²	12	25%	0.253	7%	0.065	S	C	.	.			trans	-58.5	124.3	163.3	-22.4	33.1	0	0	0	110	F362 I363 W498	F362-P530 WeakPolarHBondContact CA-O 3.5Å; F362-P530 PolarHBondContact N-O 3.39Å; I363-P530 PolarHBondContact N-O 2.76Å; W498-P530 HydrophobicContact CD2-CG 4.28Å; W498-P530 HydrophobicContact CZ2-CG 4.18Å
531	H	98.6	Very high	96.7	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.028	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.3	-178.5	62.5	-76.8	0	0	0	110.3	E323 L326 E359 C360 M495 R496 R524 C529	E323-H531 IonicContact OE2-CD2 3.66Å; E323-H531 IonicContact OE2-NE2 3.56Å; E323-H531 PolarHBondContact OE2-NE2 3.07Å; E323-H531 VanDerWaalsContact OE2-NE2 3.07Å; L326-H531 HydrophobicContact CD1-CB 3.87Å; E359-H531 IonicContact OE1-CD2 2.83Å; C360-H531 WeakPolarHBondContact O-CA 3.38Å; C360-H531 WeakPolarHBondContact O-CB 3.17Å; M495-H531 VanDerWaalsContact CE-O 3.25Å; M495-H531 WeakPolarHBondContact CE-O 3.47Å; R496-H531 WeakPolarHBondContact CB-NE2 3.44Å; R496-H531 VanDerWaalsContact CG-CD2 3.44Å; R496-H531 WeakPolarHBondContact CG-CD2 3.4Å; R496-H531 PolarHBondContact N-O 2.59Å; R524-H531 PolarHBondContact NH2-CE1 3.15Å; R524-H531 PolarHBondContact NH2-NE2 3.4Å; C529-H531 PolarHBondContact O-N 3.4Å; C529-H531 PolarHBondContact O-ND1 2.95Å
532	G	98.5	Very high	96.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	168.4	179.1	0	0	0	0	0	111.5	E359 C360 S494	E359-G532 WeakPolarHBondContact OE1-CA 3.25Å; C360-G532 PolarHBondContact N-O 2.9Å; C360-G532 PolarHBondContact O-N 2.94Å; S494-G532 VanDerWaalsContact O-CA 3.29Å; S494-G532 WeakPolarHBondContact O-CA 3.48Å
533	G	98.5	Very high	96.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-173.6	-177.2	0	0	0	0	0	112.3	A358 E359 G493 S494 R496	A358-G533 CarbonylContact O-C 3.53Å; A358-G533 WeakPolarHBondContact O-CA 3.4Å; E359-G533 PolarHBondContact OE1-N 3.16Å; E359-G533 WeakPolarHBondContact OE2-CA 3.27Å; G493-G533 VanDerWaalsContact CA-O 3.24Å; G493-G533 WeakPolarHBondContact CA-O 3.44Å; S494-G533 PolarHBondContact N-O 2.98Å; S494-G533 PolarHBondContact O-N 2.7Å; S494-G533 VanDerWaalsContact O-N 3.07Å; R496-G533 PolarHBondContact NH2-O 2.86Å
534	Y	98.4	Very high	96.5	Very high	5 Å²	5	11.9 Å²	11.9	2%	0.02	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	155.7	-173.2	56.1	-91.1	0	0	0	111.4	Y278 E357 A358 L368 L372 I375 V491 G492	Y278-Y534 WeakPolarHBondContact CE1-OH 3.49Å; Y278-Y534 VanDerWaalsContact OH-CE2 3.27Å; Y278-Y534 WeakPolarHBondContact OH-CE2 3.44Å; Y278-Y534 PolarHBondContact OH-OH 3.29Å; E357-Y534 WeakPolarHBondContact CA-O 3.45Å; A358-Y534 HydrophobicContact CB-CE1 4.16Å; A358-Y534 HydrophobicContact CB-CE2 4.18Å; A358-Y534 PolarHBondContact N-O 2.78Å; A358-Y534 PolarHBondContact O-N 2.58Å; L368-Y534 HydrophobicContact CD1-CD1 3.85Å; L372-Y534 HydrophobicContact CD2-CD1 3.61Å; L372-Y534 HydrophobicContact CD2-CD2 3.64Å; L372-Y534 HydrophobicContact CD2-CE1 4.12Å; L372-Y534 HydrophobicContact CD2-CE2 4.13Å; L372-Y534 HydrophobicContact CD2-CG 3.36Å; L372-Y534 HydrophobicContact CG-CD1 4.22Å; L372-Y534 HydrophobicContact CG-CG 4.36Å; I375-Y534 HydrophobicContact CD1-CE2 4.11Å; I375-Y534 HydrophobicContact CG2-CE2 4.44Å; V491-Y534 HydrophobicContact CG1-CD2 4.1Å; V491-Y534 HydrophobicContact CG1-CG 4.36Å; G492-Y534 CarbonylContact O-C 3.56Å; G492-Y534 VanDerWaalsContact O-CA 3.31Å; G492-Y534 WeakPolarHBondContact O-CA 3.39Å
535	G	97.5	Very high	96.4	Very high	12 Å²	12	11.4 Å²	11.4	12%	0.124	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.4	172.8	0	0	0	0	0	110.9	H355 V356 V491 G492	H355-G535 WeakPolarHBondContact NE2-CA 3.47Å; V356-G535 WeakPolarHBondContact O-CA 3.36Å; V491-G535 WeakPolarHBondContact CA-O 3.27Å; V491-G535 WeakPolarHBondContact CG1-O 3.46Å; G492-G535 PolarHBondContact N-O 3.42Å; G492-G535 PolarHBondContact O-N 3.2Å
536	L	95.2	Very high	96.4	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.7	179.1	176.4	159	0	0	0	109.3	F274 H355 V356 V491 L538 F541	F274-L536 HydrophobicContact CE1-CD1 3.8Å; F274-L536 HydrophobicContact CE1-CD2 4.45Å; F274-L536 HydrophobicContact CE2-CD2 4.47Å; F274-L536 HydrophobicContact CZ-CD1 3.74Å; F274-L536 HydrophobicContact CZ-CD2 3.93Å; H355-L536 PolarHBondContact CD2-O 3.1Å; V356-L536 HydrophobicContact CB-CB 4.24Å; V356-L536 HydrophobicContact CB-CD2 4.25Å; V356-L536 HydrophobicContact CG2-CD2 4.23Å; V356-L536 PolarHBondContact N-O 3.18Å; V356-L536 PolarHBondContact O-N 2.93Å; V491-L536 HydrophobicContact CG1-CB 4.39Å; V491-L536 HydrophobicContact CG2-CB 3.88Å; V491-L536 HydrophobicContact CG2-CD1 3.6Å; V491-L536 HydrophobicContact CG2-CG 3.82Å; L536-L538 PolarHBondContact O-N 3.17Å; L536-F541 HydrophobicContact CD1-CB 4.5Å; L536-F541 HydrophobicContact CD1-CD2 3.68Å; L536-F541 HydrophobicContact CD1-CE2 4.14Å; L536-F541 HydrophobicContact CD1-CG 4.29Å; L536-F541 HydrophobicContact CD2-CB 3.8Å; L536-F541 HydrophobicContact CD2-CD2 4.47Å; L536-F541 HydrophobicContact CD2-CG 4.31Å; L536-F541 HydrophobicContact CG-CB 4.41Å; L536-F541 HydrophobicContact CG-CD2 4.41Å
537	G	94.9	Very high	96.3	Very high	12 Å²	12	9 Å²	9	12%	0.124	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108.6	171.1	0	0	0	0	0	110.2	V490 E539 R540 F541	V490-G537 PolarHBondContact O-N 2.99Å; G537-E539 VanDerWaalsContact C-N 3.26Å; G537-E539 PolarHBondContact O-N 3.19Å; G537-R540 WeakPolarHBondContact O-CB 3.36Å; G537-R540 PolarHBondContact O-N 3.47Å; G537-F541 PolarHBondContact O-N 3.31Å
538	L	97.1	Very high	96.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.2	-42.4	-175.4	179.7	67.3	0	0	0	111.7	R267 L270 L271 F274 T354 V356 L536 R540 F541 L542	R267-L538 HydrophobicContact CG-CD2 4.46Å; L270-L538 HydrophobicContact CB-CD1 4.23Å; L271-L538 HydrophobicContact CD2-CD2 3.54Å; L271-L538 HydrophobicContact CG-CD2 3.93Å; F274-L538 HydrophobicContact CD2-CD1 3.97Å; F274-L538 HydrophobicContact CE2-CD1 3.71Å; T354-L538 HydrophobicContact CG2-CB 4.06Å; T354-L538 HydrophobicContact CG2-CD2 3.66Å; T354-L538 VanDerWaalsContact O-CB 3.31Å; T354-L538 WeakPolarHBondContact O-CB 3.19Å; T354-L538 PolarHBondContact O-N 3.08Å; V356-L538 HydrophobicContact CG2-CB 4.37Å; L536-L538 PolarHBondContact O-N 3.17Å; L538-R540 VanDerWaalsContact C-N 3.34Å; L538-R540 PolarHBondContact O-N 2.97Å; L538-F541 PolarHBondContact O-N 2.94Å; L538-L542 WeakPolarHBondContact O-CB 3.37Å; L538-L542 PolarHBondContact O-N 3.48Å
539	E	96.2	Very high	95.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-37.6	179.1	-70.4	73.5	-155.9	0	0	112.1	R267 L350 T354 G537 L542 T543 I551 T554 I555	R267-E539 IonicContact CZ-OE1 3.5Å; R267-E539 IonicContact NH1-OE1 3.34Å; R267-E539 PolarHBondContact NH1-OE1 2.73Å; R267-E539 IonicContact NH2-OE1 3.43Å; R267-E539 PolarHBondContact NH2-OE1 2.72Å; L350-E539 HydrophobicContact CD1-CB 4.16Å; L350-E539 HydrophobicContact CD1-CG 3.84Å; T354-E539 WeakPolarHBondContact CB-OE1 3.3Å; T354-E539 PolarHBondContact N-OE1 2.72Å; T354-E539 PolarHBondContact N-OE2 2.71Å; T354-E539 PolarHBondContact OG1-OE1 2.73Å; G537-E539 VanDerWaalsContact C-N 3.26Å; G537-E539 PolarHBondContact O-N 3.19Å; E539-L542 PolarHBondContact O-N 3.2Å; E539-T543 WeakPolarHBondContact O-CB 3.06Å; E539-T543 PolarHBondContact O-N 3.2Å; E539-T543 PolarHBondContact O-OG1 3.37Å; E539-I551 HydrophobicContact CB-CD1 3.65Å; E539-I551 HydrophobicContact CB-CG1 3.48Å; E539-I551 VanDerWaalsContact CB-CG1 3.48Å; E539-I551 HydrophobicContact CG-CG1 4.48Å; E539-T554 WeakPolarHBondContact CB-OG1 3.42Å; E539-T554 PolarHBondContact O-OG1 3.01Å; E539-I555 HydrophobicContact CG-CB 4.03Å; E539-I555 HydrophobicContact CG-CD1 4.4Å
540	R	94.8	Very high	95.2	Very high	28 Å²	28	20.7 Å²	20.7	11%	0.106	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-43.4	174.1	-65.3	-172.7	-180	179.2	3.3	110.9	R348 H349 V487 E489 V490 G537 L538 T543 W544 I551	R348-R540 PolarHBondContact O-NE 3.09Å; R348-R540 PolarHBondContact O-NH2 3.46Å; H349-R540 PolarHBondContact CD2-NH2 3.22Å; H349-R540 PolarHBondContact NE2-NH2 3.06Å; V487-R540 HydrophobicContact CG1-CB 4.39Å; E489-R540 WeakPolarHBondContact O-CD 3.26Å; E489-R540 PolarHBondContact O-NH1 3.02Å; E489-R540 IonicContact OE2-NH1 2.71Å; E489-R540 PolarHBondContact OE2-NH1 3.43Å; V490-R540 HydrophobicContact CG1-CB 4.25Å; G537-R540 WeakPolarHBondContact O-CB 3.36Å; G537-R540 PolarHBondContact O-N 3.47Å; L538-R540 VanDerWaalsContact C-N 3.34Å; L538-R540 PolarHBondContact O-N 2.97Å; R540-T543 WeakPolarHBondContact O-CB 3.34Å; R540-T543 PolarHBondContact O-N 3.19Å; R540-W544 PolarHBondContact O-N 3.45Å; R540-W544 VanDerWaalsContact O-N 3.14Å; R540-I551 HydrophobicContact CG-CD1 3.73Å
541	F	96	Very high	94.8	Very high	1 Å²	1	19 Å²	19	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-64.7	-41.4	176.2	-167.6	-86.2	0	0	0	112.2	L270 F274 V376 V379 L536 G537 L538 T543 W544 V545	L270-F541 HydrophobicContact CD1-CD1 4.33Å; L270-F541 HydrophobicContact CD2-CD1 3.93Å; L270-F541 HydrophobicContact CD2-CE1 3.68Å; F274-F541 HydrophobicContact CE2-CD1 4.02Å; F274-F541 HydrophobicContact CE2-CE1 4.15Å; F274-F541 HydrophobicContact CE2-CG 4.49Å; F274-F541 AromaticContact CZ-CD1 3.87Å; F274-F541 HydrophobicContact CZ-CD1 3.87Å; F274-F541 HydrophobicContact CZ-CD2 4.22Å; F274-F541 AromaticContact CZ-CE1 3.85Å; F274-F541 HydrophobicContact CZ-CE1 3.85Å; F274-F541 HydrophobicContact CZ-CE2 4.18Å; F274-F541 HydrophobicContact CZ-CG 4.04Å; F274-F541 AromaticContact CZ-CZ 3.98Å; F274-F541 HydrophobicContact CZ-CZ 3.98Å; V376-F541 HydrophobicContact CB-CE2 4.4Å; V376-F541 HydrophobicContact CG1-CE2 4.14Å; V376-F541 HydrophobicContact CG2-CE2 4.08Å; V379-F541 HydrophobicContact CG1-CE1 4.1Å; V379-F541 HydrophobicContact CG1-CZ 4.27Å; L536-F541 HydrophobicContact CD1-CB 4.5Å; L536-F541 HydrophobicContact CD1-CD2 3.68Å; L536-F541 HydrophobicContact CD1-CE2 4.14Å; L536-F541 HydrophobicContact CD1-CG 4.29Å; L536-F541 HydrophobicContact CD2-CB 3.8Å; L536-F541 HydrophobicContact CD2-CD2 4.47Å; L536-F541 HydrophobicContact CD2-CG 4.31Å; L536-F541 HydrophobicContact CG-CB 4.41Å; L536-F541 HydrophobicContact CG-CD2 4.41Å; G537-F541 PolarHBondContact O-N 3.31Å; L538-F541 PolarHBondContact O-N 2.94Å; F541-T543 VanDerWaalsContact C-N 3.33Å; F541-T543 PolarHBondContact O-N 3.45Å; F541-W544 HydrophobicContact CD1-CE3 4.39Å; F541-W544 HydrophobicContact CD2-CE3 4.08Å; F541-W544 HydrophobicContact CD2-CZ3 4.26Å; F541-W544 HydrophobicContact CE1-CE3 4.23Å; F541-W544 HydrophobicContact CE1-CZ3 4.01Å; F541-W544 AromaticContact CE2-CE3 3.94Å; F541-W544 HydrophobicContact CE2-CE3 3.94Å; F541-W544 AromaticContact CE2-CZ3 3.64Å; F541-W544 HydrophobicContact CE2-CZ3 3.64Å; F541-W544 HydrophobicContact CG-CE3 4.34Å; F541-W544 HydrophobicContact CZ-CE3 4.03Å; F541-W544 AromaticContact CZ-CZ3 3.51Å; F541-W544 HydrophobicContact CZ-CZ3 3.51Å; F541-W544 WeakPolarHBondContact O-CB 3.38Å; F541-W544 PolarHBondContact O-N 3.09Å; F541-V545 HydrophobicContact CD1-CG2 3.87Å; F541-V545 HydrophobicContact CE1-CG2 3.69Å; F541-V545 WeakPolarHBondContact O-CG2 3.2Å; F541-V545 PolarHBondContact O-N 3.08Å
542	L	96.2	Very high	94.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.5	-37.5	176	176.7	55.1	0	0	0	111.5	I263 V266 R267 L270 L538 E539 W544 V545 T546 T554	I263-L542 HydrophobicContact CG2-CD2 4.16Å; I263-L542 HydrophobicContact CG2-CG 4.46Å; V266-L542 HydrophobicContact CB-CD1 4.37Å; V266-L542 HydrophobicContact CG1-CD1 3.81Å; R267-L542 HydrophobicContact CB-CD2 3.58Å; R267-L542 HydrophobicContact CG-CD2 3.85Å; L270-L542 HydrophobicContact CD1-CB 3.81Å; L270-L542 HydrophobicContact CD1-CD1 3.55Å; L270-L542 HydrophobicContact CD1-CG 4.17Å; L538-L542 WeakPolarHBondContact O-CB 3.37Å; L538-L542 PolarHBondContact O-N 3.48Å; E539-L542 PolarHBondContact O-N 3.2Å; L542-W544 VanDerWaalsContact C-N 3.3Å; L542-W544 PolarHBondContact O-N 3.22Å; L542-V545 PolarHBondContact O-N 3.47Å; L542-T546 HydrophobicContact CD1-CG2 3.47Å; L542-T546 VanDerWaalsContact CD1-CG2 3.47Å; L542-T546 HydrophobicContact CG-CG2 4.49Å; L542-T546 WeakPolarHBondContact O-CB 3.3Å; L542-T546 PolarHBondContact O-N 3.28Å; L542-T546 PolarHBondContact O-OG1 3Å; L542-T554 HydrophobicContact CB-CG2 4.4Å; L542-T554 HydrophobicContact CD2-CG2 4.35Å; L542-T554 WeakPolarHBondContact CD2-O 3.33Å; L542-T554 HydrophobicContact CG-CG2 3.94Å
543	T	95.1	Very high	94.2	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-44.9	173.6	-60.4	0	0	0	0	110.7	V487 E539 R540 F541 G547 R548 T554	V487-T543 HydrophobicContact CG2-CG2 4.14Å; E539-T543 WeakPolarHBondContact O-CB 3.06Å; E539-T543 PolarHBondContact O-N 3.2Å; E539-T543 PolarHBondContact O-OG1 3.37Å; R540-T543 WeakPolarHBondContact O-CB 3.34Å; R540-T543 PolarHBondContact O-N 3.19Å; F541-T543 VanDerWaalsContact C-N 3.33Å; F541-T543 PolarHBondContact O-N 3.45Å; T543-G547 WeakPolarHBondContact O-CA 3.33Å; T543-G547 PolarHBondContact O-N 3Å; T543-R548 HydrophobicContact CG2-CB 4.23Å; T543-R548 WeakPolarHBondContact CG2-O 3.45Å; T543-R548 PolarHBondContact O-N 3.49Å; T543-T554 WeakPolarHBondContact OG1-CG2 3.33Å
544	W	94.6	Very high	94	Very high	22 Å²	22	23.5 Å²	23.5	8%	0.083	12%	0.117	C	C	.	.	H	α-helix	trans	-62.1	-52.5	174.5	167.1	61	0	0	0	112.2	V376 A380 F399 P402 M484 V487 R540 F541 L542 T546 G547	V376-W544 HydrophobicContact CG1-CH2 4Å; V376-W544 HydrophobicContact CG1-CZ3 4.07Å; A380-W544 HydrophobicContact CB-CH2 4.36Å; F399-W544 HydrophobicContact CE2-CD2 4.37Å; F399-W544 AromaticContact CE2-CE2 3.88Å; F399-W544 HydrophobicContact CE2-CH2 4.03Å; F399-W544 AromaticContact CE2-CZ2 3.69Å; F399-W544 HydrophobicContact CE2-CZ2 3.69Å; F399-W544 HydrophobicContact CE2-CZ3 4.49Å; F399-W544 HydrophobicContact CZ-CH2 4.03Å; F399-W544 HydrophobicContact CZ-CZ2 4.08Å; P402-W544 HydrophobicContact CG-CH2 3.97Å; P402-W544 HydrophobicContact CG-CZ2 4.19Å; M484-W544 HydrophobicContact CB-CG 4.31Å; M484-W544 HydrophobicContact CE-CD2 3.74Å; M484-W544 HydrophobicContact CE-CE3 4.08Å; M484-W544 HydrophobicContact CE-CG 4.49Å; M484-W544 HydrophobicContact CE-CH2 3.48Å; M484-W544 VanDerWaalsContact CE-CH2 3.48Å; M484-W544 HydrophobicContact CE-CZ2 3.06Å; M484-W544 HydrophobicContact CE-CZ3 3.96Å; V487-W544 HydrophobicContact CG2-CB 3.68Å; R540-W544 PolarHBondContact O-N 3.45Å; R540-W544 VanDerWaalsContact O-N 3.14Å; F541-W544 HydrophobicContact CD1-CE3 4.39Å; F541-W544 HydrophobicContact CD2-CE3 4.08Å; F541-W544 HydrophobicContact CD2-CZ3 4.26Å; F541-W544 HydrophobicContact CE1-CE3 4.23Å; F541-W544 HydrophobicContact CE1-CZ3 4.01Å; F541-W544 AromaticContact CE2-CE3 3.94Å; F541-W544 HydrophobicContact CE2-CE3 3.94Å; F541-W544 AromaticContact CE2-CZ3 3.64Å; F541-W544 HydrophobicContact CE2-CZ3 3.64Å; F541-W544 HydrophobicContact CG-CE3 4.34Å; F541-W544 HydrophobicContact CZ-CE3 4.03Å; F541-W544 AromaticContact CZ-CZ3 3.51Å; F541-W544 HydrophobicContact CZ-CZ3 3.51Å; F541-W544 WeakPolarHBondContact O-CB 3.38Å; F541-W544 PolarHBondContact O-N 3.09Å; L542-W544 VanDerWaalsContact C-N 3.3Å; L542-W544 PolarHBondContact O-N 3.22Å; W544-T546 PolarHBondContact O-N 3.1Å; W544-G547 PolarHBondContact O-N 3.4Å
545	V	95.2	Very high	93.8	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-42.9	-177	173.1	0	0	0	0	111.8	V392 N396 F399 F541 L542	V392-V545 HydrophobicContact CG1-CG1 3.77Å; V392-V545 HydrophobicContact CG2-CG1 3.99Å; N396-V545 WeakPolarHBondContact CB-O 3.38Å; N396-V545 PolarHBondContact ND2-O 3.06Å; N396-V545 VanDerWaalsContact ND2-O 3.13Å; F399-V545 HydrophobicContact CE2-CB 4.32Å; F399-V545 HydrophobicContact CE2-CG1 4.41Å; F399-V545 HydrophobicContact CE2-CG2 4.17Å; F399-V545 HydrophobicContact CZ-CG1 4.42Å; F399-V545 HydrophobicContact CZ-CG2 4.25Å; F541-V545 HydrophobicContact CD1-CG2 3.87Å; F541-V545 HydrophobicContact CE1-CG2 3.69Å; F541-V545 WeakPolarHBondContact O-CG2 3.2Å; F541-V545 PolarHBondContact O-N 3.08Å; L542-V545 PolarHBondContact O-N 3.47Å
546	T	95.1	Very high	93.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-92.7	2.9	-175.7	57	0	0	0	0	114.5	V266 L395 L542 W544 R548	V266-T546 HydrophobicContact CB-CG2 4.36Å; V266-T546 HydrophobicContact CG1-CG2 3.9Å; L395-T546 HydrophobicContact CD1-CG2 3.8Å; L542-T546 HydrophobicContact CD1-CG2 3.47Å; L542-T546 VanDerWaalsContact CD1-CG2 3.47Å; L542-T546 HydrophobicContact CG-CG2 4.49Å; L542-T546 WeakPolarHBondContact O-CB 3.3Å; L542-T546 PolarHBondContact O-N 3.28Å; L542-T546 PolarHBondContact O-OG1 3Å; W544-T546 PolarHBondContact O-N 3.1Å; T546-R548 PolarHBondContact O-N 3.29Å; T546-R548 PolarHBondContact O-NE 3.26Å; T546-R548 PolarHBondContact O-NH2 2.96Å; T546-R548 WeakPolarHBondContact OG1-CG 3.38Å
547	G	92.9	Very high	93.8	Very high	42 Å²	42	24.5 Å²	24.5	43%	0.433	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	31.7	178.6	0	0	0	0	0	113.1	N396 T543 W544	N396-G547 PolarHBondContact ND2-N 2.76Å; T543-G547 WeakPolarHBondContact O-CA 3.33Å; T543-G547 PolarHBondContact O-N 3Å; W544-G547 PolarHBondContact O-N 3.4Å
548	R	92	Very high	93.7	Very high	66 Å²	66	24.6 Å²	24.6	25%	0.249	12%	0.116	C	C	.	.			trans	-78.1	148.6	177.6	-66.1	-55.2	98.8	172.6	2.8	110	I263 L395 T543 T546 D553 T554	I263-R548 HydrophobicContact CD1-CG 4.13Å; L395-R548 PolarHBondContact O-NH2 3.48Å; T543-R548 HydrophobicContact CG2-CB 4.23Å; T543-R548 WeakPolarHBondContact CG2-O 3.45Å; T543-R548 PolarHBondContact O-N 3.49Å; T546-R548 PolarHBondContact O-N 3.29Å; T546-R548 PolarHBondContact O-NE 3.26Å; T546-R548 PolarHBondContact O-NH2 2.96Å; T546-R548 WeakPolarHBondContact OG1-CG 3.38Å; R548-D553 HydrophobicContact CG-CB 4.3Å; R548-T554 HydrophobicContact CB-CG2 4.24Å; R548-T554 HydrophobicContact CG-CG2 4.16Å
549	Y	85.5	Confident	93.4	Very high	165 Å²	165	26.9 Å²	26.9	65%	0.647	13%	0.125	S	C	*	.	S	Bend	trans	-84.5	-32.1	179.5	-178.4	-103.2	0	0	0	112.7	R347	R347-Y549 VanDerWaalsContact NH1-CZ 3.32Å; R347-Y549 PolarHBondContact NH1-OH 3.08Å
550	H	88.5	Confident	92.7	Very high	25 Å²	25	28.8 Å²	28.8	12%	0.116	13%	0.133	C	C	.	.	S	Bend	trans	-128	133.4	-174.8	-164.5	-61.5	0	0	0	111.1	R552 D553	H550-R552 VanDerWaalsContact C-N 3.26Å; H550-R552 HydrophobicContact CB-CG 4.28Å; H550-R552 WeakPolarHBondContact ND1-CB 3.43Å; H550-R552 WeakPolarHBondContact ND1-CD 3.35Å; H550-R552 WeakPolarHBondContact ND1-CG 3.27Å; H550-R552 PolarHBondContact ND1-N 2.9Å; H550-R552 VanDerWaalsContact ND1-N 3.15Å; H550-R552 PolarHBondContact O-N 3.06Å; H550-D553 PolarHBondContact O-N 2.95Å; H550-D553 VanDerWaalsContact O-N 3.15Å
551	I	90.9	Very high	91.8	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-58.2	-33.9	-176	-163.6	168.6	0	0	0	113.7	R347 R348 L350 E539 R540 D553 T554	R347-I551 VanDerWaalsContact O-CB 3.26Å; R347-I551 WeakPolarHBondContact O-CB 3.46Å; R347-I551 VanDerWaalsContact O-CG2 3.27Å; R347-I551 WeakPolarHBondContact O-CG2 3.49Å; R347-I551 PolarHBondContact O-N 3.18Å; R347-I551 VanDerWaalsContact O-N 3.08Å; R348-I551 WeakPolarHBondContact O-CD1 3.33Å; L350-I551 HydrophobicContact CD1-CD1 4.07Å; L350-I551 HydrophobicContact CD1-CG1 4.08Å; L350-I551 HydrophobicContact CD2-CG2 4.12Å; L350-I551 HydrophobicContact CG-CD1 4.27Å; L350-I551 HydrophobicContact CG-CG1 4.44Å; L350-I551 HydrophobicContact CG-CG2 4.05Å; E539-I551 HydrophobicContact CB-CD1 3.65Å; E539-I551 HydrophobicContact CB-CG1 3.48Å; E539-I551 VanDerWaalsContact CB-CG1 3.48Å; E539-I551 HydrophobicContact CG-CG1 4.48Å; R540-I551 HydrophobicContact CG-CD1 3.73Å; I551-D553 PolarHBondContact O-N 2.9Å; I551-T554 WeakPolarHBondContact O-CB 3.11Å; I551-T554 PolarHBondContact O-N 3.43Å; I551-T554 PolarHBondContact O-OG1 3.43Å
552	R	91.1	Very high	89.9	Confident	49 Å²	49	35 Å²	35	19%	0.185	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-49.3	-25.6	174.4	81.1	-170.6	172.2	-169.1	-4.3	115.3	R251 H550 T554 P558	R251-R552 PolarHBondContact NH2-O 2.87Å; H550-R552 VanDerWaalsContact C-N 3.26Å; H550-R552 HydrophobicContact CB-CG 4.28Å; H550-R552 WeakPolarHBondContact ND1-CB 3.43Å; H550-R552 WeakPolarHBondContact ND1-CD 3.35Å; H550-R552 WeakPolarHBondContact ND1-CG 3.27Å; H550-R552 PolarHBondContact ND1-N 2.9Å; H550-R552 VanDerWaalsContact ND1-N 3.15Å; H550-R552 PolarHBondContact O-N 3.06Å; R552-T554 PolarHBondContact O-N 2.78Å; R552-P558 HydrophobicContact CB-CB 4.2Å; R552-P558 HydrophobicContact CB-CG 4.16Å
553	D	91.9	Very high	87.2	Confident	51 Å²	51	40.2 Å²	40.2	27%	0.273	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-79.6	-9.9	179.6	-60.7	-24.9	0	0	0	112.6	L260 I263 R548 H550 I551	L260-D553 VanDerWaalsContact CD1-O 3.27Å; L260-D553 WeakPolarHBondContact CD1-O 3.39Å; I263-D553 WeakPolarHBondContact CG2-O 3.42Å; R548-D553 HydrophobicContact CG-CB 4.3Å; H550-D553 PolarHBondContact O-N 2.95Å; H550-D553 VanDerWaalsContact O-N 3.15Å; I551-D553 PolarHBondContact O-N 2.9Å
554	T	94.7	Very high	84.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-105.8	4	-171.8	69.9	0	0	0	0	114.1	R267 E539 L542 T543 R548 I551 R552	R267-T554 PolarHBondContact NH1-O 2.77Å; E539-T554 WeakPolarHBondContact CB-OG1 3.42Å; E539-T554 PolarHBondContact O-OG1 3.01Å; L542-T554 HydrophobicContact CB-CG2 4.4Å; L542-T554 HydrophobicContact CD2-CG2 4.35Å; L542-T554 WeakPolarHBondContact CD2-O 3.33Å; L542-T554 HydrophobicContact CG-CG2 3.94Å; T543-T554 WeakPolarHBondContact OG1-CG2 3.33Å; R548-T554 HydrophobicContact CB-CG2 4.24Å; R548-T554 HydrophobicContact CG-CG2 4.16Å; I551-T554 WeakPolarHBondContact O-CB 3.11Å; I551-T554 PolarHBondContact O-N 3.43Å; I551-T554 PolarHBondContact O-OG1 3.43Å; R552-T554 PolarHBondContact O-N 2.78Å
555	I	94.9	Very high	82.1	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.056	25%	0.252	C	S	.	.	S	Bend	trans	-127	151.7	179.1	-171.3	165.2	0	0	0	110.6	R251 M264 L350 E539 P558	R251-I555 PolarHBondContact NH2-O 3.3Å; M264-I555 WeakPolarHBondContact CE-O 3.5Å; L350-I555 HydrophobicContact CD1-CD1 4Å; L350-I555 HydrophobicContact CD1-CG2 4.33Å; E539-I555 HydrophobicContact CG-CB 4.03Å; E539-I555 HydrophobicContact CG-CD1 4.4Å; I555-P558 HydrophobicContact CG2-CB 3.58Å; I555-P558 HydrophobicContact CG2-CG 4.33Å
556	L	96	Very high	80.4	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	28%	0.283	C	S	.	.	S	Bend	trans	-63.9	-54.7	-175.1	-173.7	67.2	0	0	0	111.9	R251 L255 M264	R251-L556 WeakPolarHBondContact CD-O 3.4Å; R251-L556 PolarHBondContact NE-O 3.01Å; L255-L556 HydrophobicContact CD1-CD1 4.13Å; L255-L556 HydrophobicContact CD2-CD1 3.66Å; M264-L556 HydrophobicContact CG-CD1 4.5Å; M264-L556 HydrophobicContact SD-CB 4.48Å; M264-L556 HydrophobicContact SD-CD1 4.43Å
557	Y	95.7	Very high	79.5	Confident	24 Å²	24	56.3 Å²	56.3	9%	0.094	30%	0.3	C	S	.	.	S	Bend	trans	-136.2	100.7	174.7	-63.9	-71.8	0	0	0	108.8	R251 P833 Y865 T868	R251-Y557 HydrophobicContact CB-CD1 4.13Å; R251-Y557 HydrophobicContact CB-CE1 4.02Å; R251-Y557 HydrophobicContact CG-CD1 4.13Å; R251-Y557 HydrophobicContact CG-CE1 4.13Å; Y557-P833 HydrophobicContact CD2-CG 4.35Å; Y557-Y865 AromaticContact CD2-CD1 3.72Å; Y557-Y865 HydrophobicContact CD2-CD1 3.72Å; Y557-Y865 HydrophobicContact CD2-CE1 4.16Å; Y557-Y865 HydrophobicContact CD2-CG 4.47Å; Y557-Y865 AromaticContact CE2-CD1 3.61Å; Y557-Y865 HydrophobicContact CE2-CD1 3.61Å; Y557-Y865 HydrophobicContact CE2-CE1 4.36Å; Y557-Y865 HydrophobicContact CE2-CG 4.38Å; Y557-T868 WeakPolarHBondContact OH-CB 3.31Å; Y557-T868 PolarHBondContact OH-OG1 2.75Å
558	P	93.4	Very high	78.8	Confident	15 Å²	15	55.2 Å²	55.2	10%	0.097	28%	0.284	C	S	.	.			trans	-66	151.9	-173.7	27.1	-34.5	0	0	0	112.3	L248 L350 R552 I555 F560	L248-P558 HydrophobicContact CD2-CG 3.63Å; L350-P558 HydrophobicContact CD2-CB 3.99Å; R552-P558 HydrophobicContact CB-CB 4.2Å; R552-P558 HydrophobicContact CB-CG 4.16Å; I555-P558 HydrophobicContact CG2-CB 3.58Å; I555-P558 HydrophobicContact CG2-CG 4.33Å; P558-F560 HydrophobicContact CB-CD1 4.04Å; P558-F560 HydrophobicContact CB-CE1 3.91Å; P558-F560 HydrophobicContact CG-CE1 3.96Å
559	R	90.3	Very high	78.6	Confident	47 Å²	47	53.9 Å²	53.9	18%	0.177	28%	0.28	C	S	.	.			trans	-122.1	125.4	170.9	-64	-68.8	-179.5	-94	4	108.9	L350 S351 E352 M835	L350-R559 CarbonylContact C-O 3.56Å; L350-R559 WeakPolarHBondContact CA-O 3.37Å; S351-R559 PolarHBondContact N-O 3.01Å; E352-R559 HydrophobicContact CB-CB 4.26Å; E352-R559 HydrophobicContact CB-CG 4.39Å; R559-M835 HydrophobicContact CB-CE 3.61Å; R559-M835 HydrophobicContact CG-CE 3.64Å; R559-M835 PolarHBondContact NE-O 3.43Å; R559-M835 PolarHBondContact NH2-O 3.32Å
560	F	82	Confident	78.6	Confident	41 Å²	41	46.4 Å²	46.4	18%	0.18	25%	0.251	C	S	.	.			trans	-157	170.3	174.7	51.3	-97.7	0	0	0	109.4	L248 R345 S351 P558 Y851	L248-F560 HydrophobicContact CD1-CE1 4.12Å; L248-F560 HydrophobicContact CD1-CZ 3.63Å; R345-F560 HydrophobicContact CG-CD2 4.28Å; R345-F560 VanDerWaalsContact CZ-CE2 3.49Å; S351-F560 WeakPolarHBondContact OG-CA 3.42Å; P558-F560 HydrophobicContact CB-CD1 4.04Å; P558-F560 HydrophobicContact CB-CE1 3.91Å; P558-F560 HydrophobicContact CG-CE1 3.96Å; F560-Y851 PolarHBondContact N-OH 3.5Å; F560-Y851 PolarHBondContact O-OH 3.12Å
561	V	75.6	Confident	78.6	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.042	25%	0.245	C	C	.	.			trans	-72.3	133.3	177.2	168.7	0	0	0	0	111.9	E342 Y852	E342-V561 WeakPolarHBondContact O-CG2 3.23Å; V561-Y852 HydrophobicContact CB-CE2 4.39Å; V561-Y852 HydrophobicContact CG2-CD1 3.46Å; V561-Y852 VanDerWaalsContact CG2-CD1 3.46Å; V561-Y852 HydrophobicContact CG2-CD2 3.63Å; V561-Y852 HydrophobicContact CG2-CE1 3.12Å; V561-Y852 HydrophobicContact CG2-CE2 3.29Å; V561-Y852 HydrophobicContact CG2-CG 3.69Å; V561-Y852 WeakPolarHBondContact CG2-OH 3.49Å
562	E	57.2	Low	78.2	Confident	152 Å²	152	51.1 Å²	51.1	71%	0.71	27%	0.273	S	S	*	.			trans	-68.9	130.6	155	-77.7	-159.6	159	0	0	108.9	A564	E562-A564 PolarHBondContact O-N 3.26Å
563	P	39.7	Very low	77.7	Confident	111 Å²	111	53.3 Å²	53.3	72%	0.721	30%	0.296	S	S	*	.			trans	-57.1	101.3	-171.6	21.7	-31.3	0	0	0	112
564	A	39.8	Very low	77.3	Confident	76 Å²	76	55.8 Å²	55.8	63%	0.628	31%	0.313	S	S	*	.			trans	-68.5	142.6	166.7	0	0	0	0	0	109.1	E562 N566	E562-A564 PolarHBondContact O-N 3.26Å; A564-N566 PolarHBondContact O-N 3Å; A564-N566 VanDerWaalsContact O-N 3.16Å
565	S	42.5	Very low	76.8	Confident	90 Å²	90	56.3 Å²	56.3	63%	0.629	32%	0.318	S	S	*	.			trans	-56.4	121.6	177	58.7	0	0	0	0	110.3	E567	S565-E567 PolarHBondContact O-N 3.34Å
566	N	58.1	Low	76.3	Confident	126 Å²	126	57.2 Å²	57.2	67%	0.674	33%	0.326	S	S	*	.			trans	-78.5	43.1	-172.7	-127.9	8.6	0	0	0	112.6	A564 P604 T605	A564-N566 PolarHBondContact O-N 3Å; A564-N566 VanDerWaalsContact O-N 3.16Å; N566-P604 WeakPolarHBondContact O-CB 3.43Å; N566-T605 PolarHBondContact O-N 3.15Å
567	E	76.2	Confident	75.9	Confident	77 Å²	77	58.7 Å²	58.7	36%	0.36	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.5	-171.5	-61.4	178.5	159.4	0	0	111	S565 Y569 T605 L607	S565-E567 PolarHBondContact O-N 3.34Å; E567-Y569 HydrophobicContact CB-CE2 4.06Å; E567-Y569 PolarHBondContact OE2-OH 3.41Å; E567-T605 WeakPolarHBondContact CA-O 3.29Å; E567-L607 HydrophobicContact CB-CD1 4.09Å; E567-L607 HydrophobicContact CG-CD1 4.21Å; E567-L607 WeakPolarHBondContact OE2-CD1 3.45Å
568	I	79.6	Confident	75.1	Confident	19 Å²	19	65 Å²	65	10%	0.097	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.4	173	-69	-173.8	0	0	0	109.6	G582 F588 A594 F597 V598 P604 T605 F606 L607	I568-G582 WeakPolarHBondContact CA-O 3.3Å; I568-F588 HydrophobicContact CG2-CD2 3.87Å; I568-F588 HydrophobicContact CG2-CE2 4.16Å; I568-A594 HydrophobicContact CG2-CB 3.99Å; I568-F597 HydrophobicContact CD1-CD1 4.19Å; I568-V598 HydrophobicContact CD1-CG2 3.27Å; I568-P604 HydrophobicContact CB-CG 4.48Å; I568-P604 HydrophobicContact CD1-CG 3.59Å; I568-P604 HydrophobicContact CG1-CB 4.47Å; I568-P604 HydrophobicContact CG1-CG 3.82Å; I568-T605 PolarHBondContact N-O 2.64Å; I568-F606 HydrophobicContact CB-CD1 3.76Å; I568-F606 HydrophobicContact CB-CE1 4Å; I568-F606 HydrophobicContact CD1-CE1 4.22Å; I568-F606 HydrophobicContact CG2-CD1 3.84Å; I568-F606 HydrophobicContact CG2-CE1 3.99Å; I568-F606 CarbonylContact O-C 3.56Å; I568-F606 VanDerWaalsContact O-CA 3.31Å; I568-F606 WeakPolarHBondContact O-CA 3.42Å; I568-L607 PolarHBondContact O-N 2.78Å
569	Y	87.3	Confident	74.6	Confident	38 Å²	38	69.1 Å²	69.1	15%	0.149	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.1	-174.1	-63.3	-100.8	0	0	0	111.1	E567 G582 S584 P587 F588 L607 W617	E567-Y569 HydrophobicContact CB-CE2 4.06Å; E567-Y569 PolarHBondContact OE2-OH 3.41Å; Y569-G582 WeakPolarHBondContact CD2-O 3.15Å; Y569-G582 PolarHBondContact N-O 2.96Å; Y569-S584 VanDerWaalsContact CD2-N 3.3Å; Y569-S584 VanDerWaalsContact CG-CA 3.49Å; Y569-P587 VanDerWaalsContact O-CA 3.24Å; Y569-P587 WeakPolarHBondContact O-CA 3.49Å; Y569-P587 VanDerWaalsContact O-CB 3.27Å; Y569-P587 WeakPolarHBondContact O-CB 3.18Å; Y569-F588 PolarHBondContact O-N 2.87Å; Y569-L607 CarbonylContact C-O 3.5Å; Y569-L607 WeakPolarHBondContact CA-O 3.3Å; Y569-L607 HydrophobicContact CD1-CB 4.27Å; Y569-L607 HydrophobicContact CD1-CD1 4.32Å; Y569-L607 HydrophobicContact CE1-CB 4.49Å; Y569-L607 HydrophobicContact CE1-CD1 3.73Å; Y569-W617 AromaticContact CD1-CD2 3.54Å; Y569-W617 HydrophobicContact CD1-CD2 3.54Å; Y569-W617 AromaticContact CD1-CE2 3.64Å; Y569-W617 AromaticContact CD1-CE3 3.77Å; Y569-W617 HydrophobicContact CD1-CE3 3.77Å; Y569-W617 AromaticContact CD1-CG 3.98Å; Y569-W617 HydrophobicContact CD1-CG 3.98Å; Y569-W617 HydrophobicContact CD1-CH2 4.22Å; Y569-W617 HydrophobicContact CD1-CZ2 4Å; Y569-W617 HydrophobicContact CD1-CZ3 4.11Å; Y569-W617 AromaticContact CE1-CD1 3.96Å; Y569-W617 AromaticContact CE1-CD2 3.99Å; Y569-W617 HydrophobicContact CE1-CD2 3.99Å; Y569-W617 AromaticContact CE1-CG 3.92Å; Y569-W617 HydrophobicContact CE1-CG 3.92Å
570	I	86.2	Confident	74	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.041	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.7	-177.8	-57.2	160.3	0	0	0	108.6	F588 L591 A594 F606 L607 A608 D609 W617 V620	I570-F588 CarbonylContact C-O 3.55Å; I570-F588 VanDerWaalsContact CA-O 3.25Å; I570-F588 WeakPolarHBondContact CA-O 3.31Å; I570-L591 HydrophobicContact CD1-CB 3.81Å; I570-L591 HydrophobicContact CD1-CD1 3.32Å; I570-L591 HydrophobicContact CD1-CG 4.13Å; I570-A594 HydrophobicContact CD1-CB 4.02Å; I570-A594 HydrophobicContact CG1-CB 3.95Å; I570-F606 HydrophobicContact CD1-CB 3.71Å; I570-F606 HydrophobicContact CD1-CD1 3.89Å; I570-F606 HydrophobicContact CD1-CG 4.02Å; I570-L607 PolarHBondContact N-O 2.91Å; I570-A608 VanDerWaalsContact O-CA 3.26Å; I570-A608 WeakPolarHBondContact O-CA 3.34Å; I570-D609 PolarHBondContact O-N 3.42Å; I570-W617 WeakPolarHBondContact O-CZ3 3.36Å; I570-V620 HydrophobicContact CD1-CG2 4.14Å
571	S	87	Confident	73.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	40%	0.401	C	S	.	.			trans	-136	117.3	175.7	171.8	0	0	0	0	109.8	S573 T574 G575 F588 K589 D609	S571-S573 PolarHBondContact O-N 2.98Å; S571-S573 PolarHBondContact OG-N 3.35Å; S571-S573 PolarHBondContact OG-OG 3.39Å; S571-T574 VanDerWaalsContact CB-OG1 3.23Å; S571-T574 WeakPolarHBondContact CB-OG1 3.37Å; S571-T574 PolarHBondContact OG-N 3.49Å; S571-T574 PolarHBondContact OG-OG1 3.28Å; S571-G575 WeakPolarHBondContact O-CA 3.16Å; S571-G575 PolarHBondContact O-N 3.48Å; S571-F588 PolarHBondContact N-O 2.74Å; S571-K589 WeakPolarHBondContact O-CA 3.32Å; S571-D609 WeakPolarHBondContact CA-OD1 3.15Å; S571-D609 WeakPolarHBondContact CB-OD2 3.42Å; S571-D609 VanDerWaalsContact OG-CG 3.32Å; S571-D609 PolarHBondContact OG-OD2 2.87Å
572	E	82.8	Confident	74	Confident	128 Å²	128	68.7 Å²	68.7	60%	0.598	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.1	176.1	-72.4	-171.3	172.7	0	0	111.7
573	S	81.4	Confident	75.2	Confident	95 Å²	95	64.5 Å²	64.5	66%	0.664	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-43	-174.4	66.6	0	0	0	0	113.6	S571 D609	S571-S573 PolarHBondContact O-N 2.98Å; S571-S573 PolarHBondContact OG-N 3.35Å; S571-S573 PolarHBondContact OG-OG 3.39Å; S573-D609 PolarHBondContact OG-OD2 2.94Å
574	T	84	Confident	77.2	Confident	104 Å²	104	62.1 Å²	62.1	64%	0.638	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-13.9	-174.7	62.7	0	0	0	0	114.1	S571	S571-T574 VanDerWaalsContact CB-OG1 3.23Å; S571-T574 WeakPolarHBondContact CB-OG1 3.37Å; S571-T574 PolarHBondContact OG-N 3.49Å; S571-T574 PolarHBondContact OG-OG1 3.28Å
575	G	82.4	Confident	79.2	Confident	10 Å²	10	67.7 Å²	67.7	10%	0.103	38%	0.382	C	S	.	.			trans	-76.1	157.3	-178	0	0	0	0	0	113.1	S571 P587 K589	S571-G575 WeakPolarHBondContact O-CA 3.16Å; S571-G575 PolarHBondContact O-N 3.48Å; G575-P587 WeakPolarHBondContact CA-O 3.3Å; G575-K589 WeakPolarHBondContact O-CB 3.16Å
576	S	85.7	Confident	81.2	Confident	31 Å²	31	69 Å²	69	22%	0.217	38%	0.377	C	S	.	.			trans	-131.5	127	176.3	177.3	0	0	0	0	108.8	D578 T579 G580 P587	S576-D578 VanDerWaalsContact C-N 3.27Å; S576-D578 PolarHBondContact OG-N 3.41Å; S576-T579 WeakPolarHBondContact CB-OG1 3.21Å; S576-T579 PolarHBondContact OG-N 3.11Å; S576-T579 PolarHBondContact OG-OG1 3.32Å; S576-G580 WeakPolarHBondContact O-CA 3.49Å; S576-G580 PolarHBondContact O-N 2.71Å; S576-P587 PolarHBondContact N-O 2.71Å; S576-P587 VanDerWaalsContact N-O 3.14Å
577	D	86.5	Confident	82.5	Confident	34 Å²	34	63.2 Å²	63.2	18%	0.182	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.6	172.8	-78.1	-7.4	0	0	0	111.8	K589 T590 H593	D577-K589 HydrophobicContact CB-CB 4.34Å; D577-K589 WeakPolarHBondContact OD1-CA 3.46Å; D577-K589 WeakPolarHBondContact OD1-CB 3.39Å; D577-K589 PolarHBondContact OD1-N 2.79Å; D577-T590 PolarHBondContact OD1-N 2.86Å; D577-T590 WeakPolarHBondContact OD2-CB 3.25Å; D577-T590 WeakPolarHBondContact OD2-CG2 3.49Å; D577-T590 PolarHBondContact OD2-OG1 2.91Å; D577-H593 HydrophobicContact CB-CB 4.09Å; D577-H593 PolarHBondContact O-CE1 3.25Å; D577-H593 VanDerWaalsContact O-CE1 3.31Å; D577-H593 PolarHBondContact O-NE2 3.25Å; D577-H593 VanDerWaalsContact OD1-CB 3.28Å; D577-H593 WeakPolarHBondContact OD1-CB 3.23Å; D577-H593 IonicContact OD1-CG 3.86Å; D577-H593 IonicContact OD2-ND1 2.71Å
578	D	80.4	Confident	83	Confident	155 Å²	155	59.8 Å²	59.8	83%	0.829	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-27	177.9	-59.8	-42.9	0	0	0	112.1	S576	S576-D578 VanDerWaalsContact C-N 3.27Å; S576-D578 PolarHBondContact OG-N 3.41Å
579	T	82.4	Confident	83.4	Confident	102 Å²	102	63.9 Å²	63.9	63%	0.626	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	-1.8	-172.3	65.7	0	0	0	0	115	S576	S576-T579 WeakPolarHBondContact CB-OG1 3.21Å; S576-T579 PolarHBondContact OG-N 3.11Å; S576-T579 PolarHBondContact OG-OG1 3.32Å
580	G	77.8	Confident	83.4	Confident	15 Å²	15	64.2 Å²	64.2	16%	0.155	35%	0.353	C	S	.	.			trans	-72.6	145.8	176.9	0	0	0	0	0	111.5	S576 K586 F588	S576-G580 WeakPolarHBondContact O-CA 3.49Å; S576-G580 PolarHBondContact O-N 2.71Å; G580-K586 CarbonylContact C-O 3.53Å; G580-K586 WeakPolarHBondContact CA-O 3.36Å; G580-F588 WeakPolarHBondContact O-CE1 3.03Å
581	D	79	Confident	83.5	Confident	68 Å²	68	64.2 Å²	64.2	36%	0.364	35%	0.353	S	S	.	.			trans	-116.1	-0.2	177.1	60.9	22.6	0	0	0	112.7	T583 K586	D581-T583 VanDerWaalsContact C-N 3.35Å; D581-T583 VanDerWaalsContact OD1-CB 3.25Å; D581-T583 WeakPolarHBondContact OD1-CB 3.22Å; D581-T583 VanDerWaalsContact OD1-CG2 3.25Å; D581-T583 WeakPolarHBondContact OD1-CG2 3.44Å; D581-T583 PolarHBondContact OD1-N 3.21Å; D581-T583 PolarHBondContact OD1-OG1 2.59Å; D581-K586 PolarHBondContact N-O 3.38Å; D581-K586 WeakPolarHBondContact OD1-CB 3.37Å
582	G	78.9	Confident	83.4	Confident	4 Å²	4	65.7 Å²	65.7	4%	0.041	36%	0.36	C	S	.	.	S	Bend	trans	85.7	2.4	179	0	0	0	0	0	114.4	I568 Y569 K586	I568-G582 WeakPolarHBondContact CA-O 3.3Å; Y569-G582 WeakPolarHBondContact CD2-O 3.15Å; Y569-G582 PolarHBondContact N-O 2.96Å; G582-K586 PolarHBondContact N-O 2.87Å; G582-K586 VanDerWaalsContact N-O 3.08Å
583	T	81.8	Confident	83.5	Confident	63 Å²	63	62.8 Å²	62.8	39%	0.387	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-78	161.2	170	66	0	0	0	0	111.3	D581 K585 K586 P587	D581-T583 VanDerWaalsContact C-N 3.35Å; D581-T583 VanDerWaalsContact OD1-CB 3.25Å; D581-T583 WeakPolarHBondContact OD1-CB 3.22Å; D581-T583 VanDerWaalsContact OD1-CG2 3.25Å; D581-T583 WeakPolarHBondContact OD1-CG2 3.44Å; D581-T583 PolarHBondContact OD1-N 3.21Å; D581-T583 PolarHBondContact OD1-OG1 2.59Å; T583-K585 PolarHBondContact O-N 2.88Å; T583-K585 VanDerWaalsContact O-N 3.1Å; T583-K586 CarbonylContact O-C 3.55Å; T583-K586 PolarHBondContact O-N 2.83Å; T583-K586 VanDerWaalsContact O-N 3.11Å; T583-K586 PolarHBondContact OG1-N 2.76Å; T583-P587 WeakPolarHBondContact O-CA 3.35Å
584	S	82.2	Confident	83.7	Confident	62 Å²	62	58.3 Å²	58.3	43%	0.434	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.4	174.8	60.3	0	0	0	0	113.8	Y569	Y569-S584 VanDerWaalsContact CD2-N 3.3Å; Y569-S584 VanDerWaalsContact CG-CA 3.49Å
585	K	81.2	Confident	83.7	Confident	192 Å²	192	53.3 Å²	53.3	84%	0.835	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-28.7	176.8	-68	-178	-179.2	175	0	113.4	T583	T583-K585 PolarHBondContact O-N 2.88Å; T583-K585 VanDerWaalsContact O-N 3.1Å
586	K	83.6	Confident	83.7	Confident	119 Å²	119	57.1 Å²	57.1	52%	0.517	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-135.6	64.7	179.2	-75.7	-177.3	175.1	-178.3	0	110.1	G580 D581 G582 T583	G580-K586 CarbonylContact C-O 3.53Å; G580-K586 WeakPolarHBondContact CA-O 3.36Å; D581-K586 PolarHBondContact N-O 3.38Å; D581-K586 WeakPolarHBondContact OD1-CB 3.37Å; G582-K586 PolarHBondContact N-O 2.87Å; G582-K586 VanDerWaalsContact N-O 3.08Å; T583-K586 CarbonylContact O-C 3.55Å; T583-K586 PolarHBondContact O-N 2.83Å; T583-K586 VanDerWaalsContact O-N 3.11Å; T583-K586 PolarHBondContact OG1-N 2.76Å
587	P	85.9	Confident	83.4	Confident	4 Å²	4	60.9 Å²	60.9	3%	0.026	31%	0.311	C	S	.	.			trans	-64.2	153.5	-177.8	26.6	-33.7	0	0	0	111	Y569 G575 S576 T583 W617	Y569-P587 VanDerWaalsContact O-CA 3.24Å; Y569-P587 WeakPolarHBondContact O-CA 3.49Å; Y569-P587 VanDerWaalsContact O-CB 3.27Å; Y569-P587 WeakPolarHBondContact O-CB 3.18Å; G575-P587 WeakPolarHBondContact CA-O 3.3Å; S576-P587 PolarHBondContact N-O 2.71Å; S576-P587 VanDerWaalsContact N-O 3.14Å; T583-P587 WeakPolarHBondContact O-CA 3.35Å; P587-W617 HydrophobicContact CB-CH2 4.26Å; P587-W617 HydrophobicContact CG-CH2 4.26Å
588	F	87.9	Confident	83	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.018	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-67	150	167.3	-70.7	-66.6	0	0	0	109.6	I568 Y569 I570 S571 G580 A594 F597	I568-F588 HydrophobicContact CG2-CD2 3.87Å; I568-F588 HydrophobicContact CG2-CE2 4.16Å; Y569-F588 PolarHBondContact O-N 2.87Å; I570-F588 CarbonylContact C-O 3.55Å; I570-F588 VanDerWaalsContact CA-O 3.25Å; I570-F588 WeakPolarHBondContact CA-O 3.31Å; S571-F588 PolarHBondContact N-O 2.74Å; G580-F588 WeakPolarHBondContact O-CE1 3.03Å; F588-A594 HydrophobicContact CB-CB 4.05Å; F588-A594 HydrophobicContact CD2-CB 3.61Å; F588-A594 HydrophobicContact CE2-CB 4.43Å; F588-A594 HydrophobicContact CG-CB 4.05Å; F588-F597 HydrophobicContact CE1-CB 4.23Å; F588-F597 HydrophobicContact CE1-CD2 4.32Å; F588-F597 HydrophobicContact CE1-CG 4.27Å; F588-F597 HydrophobicContact CE2-CB 3.82Å; F588-F597 AromaticContact CE2-CD1 3.59Å; F588-F597 HydrophobicContact CE2-CD1 3.59Å; F588-F597 HydrophobicContact CE2-CD2 4.31Å; F588-F597 HydrophobicContact CE2-CE1 4.18Å; F588-F597 AromaticContact CE2-CG 3.65Å; F588-F597 HydrophobicContact CE2-CG 3.65Å; F588-F597 HydrophobicContact CZ-CB 3.54Å; F588-F597 AromaticContact CZ-CD1 3.65Å; F588-F597 HydrophobicContact CZ-CD1 3.65Å; F588-F597 AromaticContact CZ-CD2 3.51Å; F588-F597 HydrophobicContact CZ-CD2 3.51Å; F588-F597 HydrophobicContact CZ-CE1 4.17Å; F588-F597 HydrophobicContact CZ-CE2 4.05Å; F588-F597 AromaticContact CZ-CG 3.27Å; F588-F597 HydrophobicContact CZ-CG 3.27Å; F588-F597 HydrophobicContact CZ-CZ 4.34Å
589	K	87.4	Confident	82.4	Confident	105 Å²	105	55.2 Å²	55.2	46%	0.457	29%	0.291	S	S	.	.	S	Bend	trans	-75.1	-36.2	176.5	-167.7	172.3	-179.4	170	0	111.4	S571 G575 D577	S571-K589 WeakPolarHBondContact O-CA 3.32Å; G575-K589 WeakPolarHBondContact O-CB 3.16Å; D577-K589 HydrophobicContact CB-CB 4.34Å; D577-K589 WeakPolarHBondContact OD1-CA 3.46Å; D577-K589 WeakPolarHBondContact OD1-CB 3.39Å; D577-K589 PolarHBondContact OD1-N 2.79Å
590	T	87.7	Confident	81.5	Confident	45 Å²	45	55.1 Å²	55.1	28%	0.276	29%	0.29	S	S	.	.			trans	-127.3	143.2	-176.6	72	0	0	0	0	112.6	D577 L592 H593 A594	D577-T590 PolarHBondContact OD1-N 2.86Å; D577-T590 WeakPolarHBondContact OD2-CB 3.25Å; D577-T590 WeakPolarHBondContact OD2-CG2 3.49Å; D577-T590 PolarHBondContact OD2-OG1 2.91Å; T590-L592 PolarHBondContact O-N 2.96Å; T590-H593 PolarHBondContact O-N 2.88Å; T590-H593 VanDerWaalsContact O-N 3.12Å; T590-H593 PolarHBondContact OG1-N 2.97Å; T590-A594 PolarHBondContact O-N 3.49Å; T590-A594 VanDerWaalsContact O-N 3.09Å
591	L	87.7	Confident	80.6	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-31.8	174.4	176.8	60	0	0	0	112.5	I570 H593 A594 M595 F606 V620 Y628	I570-L591 HydrophobicContact CD1-CB 3.81Å; I570-L591 HydrophobicContact CD1-CD1 3.32Å; I570-L591 HydrophobicContact CD1-CG 4.13Å; L591-H593 VanDerWaalsContact C-N 3.33Å; L591-H593 PolarHBondContact O-N 3.15Å; L591-A594 PolarHBondContact O-N 3.37Å; L591-M595 HydrophobicContact CD1-CE 4.35Å; L591-M595 HydrophobicContact CD1-CG 4.18Å; L591-M595 HydrophobicContact CD1-SD 4.47Å; L591-M595 HydrophobicContact CD2-CE 4.45Å; L591-M595 HydrophobicContact CG-CE 4.43Å; L591-M595 HydrophobicContact CG-CG 4.45Å; L591-M595 HydrophobicContact CG-SD 4.24Å; L591-M595 WeakPolarHBondContact O-CB 3.19Å; L591-M595 WeakPolarHBondContact O-CG 3.3Å; L591-M595 PolarHBondContact O-N 3.17Å; L591-F606 HydrophobicContact CD1-CB 3.77Å; L591-F606 HydrophobicContact CD1-CD1 3.82Å; L591-F606 HydrophobicContact CD1-CD2 3.37Å; L591-F606 HydrophobicContact CD1-CE1 4.23Å; L591-F606 HydrophobicContact CD1-CE2 3.79Å; L591-F606 HydrophobicContact CD1-CG 3.37Å; L591-F606 HydrophobicContact CD1-CZ 4.21Å; L591-V620 HydrophobicContact CD2-CB 4.38Å; L591-V620 HydrophobicContact CD2-CG1 3.76Å; L591-V620 HydrophobicContact CD2-CG2 4.44Å; L591-Y628 HydrophobicContact CB-CD2 4.15Å; L591-Y628 HydrophobicContact CB-CG 4.14Å; L591-Y628 HydrophobicContact CD2-CD2 3.78Å; L591-Y628 HydrophobicContact CD2-CG 4.02Å; L591-Y628 HydrophobicContact CG-CD2 4.3Å; L591-Y628 HydrophobicContact CG-CG 4.16Å
592	L	85.7	Confident	79.8	Confident	31 Å²	31	59.9 Å²	59.9	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-41.2	177.1	-170.2	59.9	0	0	0	111.4	T590 M595 K596 Y628 L631 W632	T590-L592 PolarHBondContact O-N 2.96Å; L592-M595 PolarHBondContact O-N 3.23Å; L592-K596 VanDerWaalsContact O-CG 3.31Å; L592-K596 WeakPolarHBondContact O-CG 3.11Å; L592-K596 PolarHBondContact O-N 2.87Å; L592-Y628 HydrophobicContact CB-CD1 3.81Å; L592-Y628 HydrophobicContact CB-CE1 4.2Å; L592-L631 HydrophobicContact CD1-CB 4.13Å; L592-W632 HydrophobicContact CD1-CB 3.89Å
593	H	84.4	Confident	79.4	Confident	68 Å²	68	61 Å²	61	32%	0.315	32%	0.318	S	S	.	.	H	α-helix	trans	-70.2	-39.7	178.1	-143.4	102.6	0	0	0	111.2	D577 T590 L591 M595 K596 F597	D577-H593 HydrophobicContact CB-CB 4.09Å; D577-H593 PolarHBondContact O-CE1 3.25Å; D577-H593 VanDerWaalsContact O-CE1 3.31Å; D577-H593 PolarHBondContact O-NE2 3.25Å; D577-H593 VanDerWaalsContact OD1-CB 3.28Å; D577-H593 WeakPolarHBondContact OD1-CB 3.23Å; D577-H593 IonicContact OD1-CG 3.86Å; D577-H593 IonicContact OD2-ND1 2.71Å; T590-H593 PolarHBondContact O-N 2.88Å; T590-H593 VanDerWaalsContact O-N 3.12Å; T590-H593 PolarHBondContact OG1-N 2.97Å; L591-H593 VanDerWaalsContact C-N 3.33Å; L591-H593 PolarHBondContact O-N 3.15Å; H593-M595 VanDerWaalsContact C-N 3.34Å; H593-M595 PolarHBondContact O-N 3.07Å; H593-K596 WeakPolarHBondContact O-CB 3.19Å; H593-K596 PolarHBondContact O-N 3.19Å; H593-K596 VanDerWaalsContact O-N 3.16Å; H593-F597 WeakPolarHBondContact O-CB 3.26Å; H593-F597 PolarHBondContact O-N 3.47Å
594	A	85.1	Confident	78.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-42.4	171.9	0	0	0	0	0	112.3	I568 I570 F588 T590 L591 F597 V598 F606	I568-A594 HydrophobicContact CG2-CB 3.99Å; I570-A594 HydrophobicContact CD1-CB 4.02Å; I570-A594 HydrophobicContact CG1-CB 3.95Å; F588-A594 HydrophobicContact CB-CB 4.05Å; F588-A594 HydrophobicContact CD2-CB 3.61Å; F588-A594 HydrophobicContact CE2-CB 4.43Å; F588-A594 HydrophobicContact CG-CB 4.05Å; T590-A594 PolarHBondContact O-N 3.49Å; T590-A594 VanDerWaalsContact O-N 3.09Å; L591-A594 PolarHBondContact O-N 3.37Å; A594-F597 WeakPolarHBondContact O-CB 3.39Å; A594-F597 PolarHBondContact O-N 2.92Å; A594-V598 WeakPolarHBondContact O-CG2 3.47Å; A594-V598 PolarHBondContact O-N 3.09Å; A594-F606 HydrophobicContact CB-CD1 3.94Å; A594-F606 HydrophobicContact CB-CE1 3.63Å; A594-F606 HydrophobicContact CB-CZ 4.49Å
595	M	84.7	Confident	78.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-37.5	173.8	-75.4	177	156.6	0	0	112.6	L591 L592 H593 F597 V598 G599 F603 F606 F625 H629 W632	L591-M595 HydrophobicContact CD1-CE 4.35Å; L591-M595 HydrophobicContact CD1-CG 4.18Å; L591-M595 HydrophobicContact CD1-SD 4.47Å; L591-M595 HydrophobicContact CD2-CE 4.45Å; L591-M595 HydrophobicContact CG-CE 4.43Å; L591-M595 HydrophobicContact CG-CG 4.45Å; L591-M595 HydrophobicContact CG-SD 4.24Å; L591-M595 WeakPolarHBondContact O-CB 3.19Å; L591-M595 WeakPolarHBondContact O-CG 3.3Å; L591-M595 PolarHBondContact O-N 3.17Å; L592-M595 PolarHBondContact O-N 3.23Å; H593-M595 VanDerWaalsContact C-N 3.34Å; H593-M595 PolarHBondContact O-N 3.07Å; M595-F597 VanDerWaalsContact C-N 3.34Å; M595-V598 PolarHBondContact O-N 3.3Å; M595-G599 PolarHBondContact O-N 2.95Å; M595-F603 HydrophobicContact CB-CD1 4.43Å; M595-F603 HydrophobicContact CB-CE1 3.81Å; M595-F603 HydrophobicContact CB-CZ 3.97Å; M595-F603 HydrophobicContact CE-CD2 4.06Å; M595-F603 HydrophobicContact CE-CE2 4.16Å; M595-F603 HydrophobicContact CG-CD1 4.16Å; M595-F603 HydrophobicContact CG-CE1 3.93Å; M595-F603 HydrophobicContact CG-CE2 4.32Å; M595-F603 HydrophobicContact CG-CG 4.47Å; M595-F603 HydrophobicContact CG-CZ 4.01Å; M595-F603 WeakPolarHBondContact O-CE1 3.48Å; M595-F603 HydrophobicContact SD-CE2 4.49Å; M595-F606 HydrophobicContact CB-CZ 4.46Å; M595-F606 HydrophobicContact CE-CD2 4.44Å; M595-F606 HydrophobicContact CE-CE2 3.88Å; M595-F606 HydrophobicContact CG-CE2 3.66Å; M595-F606 HydrophobicContact CG-CZ 3.65Å; M595-F625 HydrophobicContact CE-CD1 4.37Å; M595-F625 HydrophobicContact CE-CD2 3.57Å; M595-F625 HydrophobicContact CE-CE1 4.21Å; M595-F625 HydrophobicContact CE-CE2 3.4Å; M595-F625 VanDerWaalsContact CE-CE2 3.4Å; M595-F625 HydrophobicContact CE-CG 4.08Å; M595-F625 HydrophobicContact CE-CZ 3.75Å; M595-H629 HydrophobicContact CE-CB 4.07Å; M595-W632 HydrophobicContact CB-CG 4.27Å; M595-W632 PolarHBondContact O-NE1 3.35Å
596	K	81.7	Confident	79	Confident	89 Å²	89	51 Å²	51	39%	0.387	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-39.8	173.1	-75.2	173.6	179.1	-178.5	0	112.1	L592 H593 G599 E635	L592-K596 VanDerWaalsContact O-CG 3.31Å; L592-K596 WeakPolarHBondContact O-CG 3.11Å; L592-K596 PolarHBondContact O-N 2.87Å; H593-K596 WeakPolarHBondContact O-CB 3.19Å; H593-K596 PolarHBondContact O-N 3.19Å; H593-K596 VanDerWaalsContact O-N 3.16Å; K596-G599 WeakPolarHBondContact O-CA 3.18Å; K596-G599 PolarHBondContact O-N 3.14Å; K596-E635 WeakPolarHBondContact CE-OE2 3.39Å; K596-E635 IonicContact NZ-OE1 2.77Å; K596-E635 PolarHBondContact NZ-OE1 3.19Å; K596-E635 IonicContact NZ-OE2 2.78Å; K596-E635 PolarHBondContact NZ-OE2 2.93Å
597	F	78.5	Confident	79.2	Confident	110 Å²	110	46 Å²	46	48%	0.482	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-42.2	177.6	176.9	-100.1	0	0	0	111.8	I568 F588 H593 A594 M595	I568-F597 HydrophobicContact CD1-CD1 4.19Å; F588-F597 HydrophobicContact CE1-CB 4.23Å; F588-F597 HydrophobicContact CE1-CD2 4.32Å; F588-F597 HydrophobicContact CE1-CG 4.27Å; F588-F597 HydrophobicContact CE2-CB 3.82Å; F588-F597 AromaticContact CE2-CD1 3.59Å; F588-F597 HydrophobicContact CE2-CD1 3.59Å; F588-F597 HydrophobicContact CE2-CD2 4.31Å; F588-F597 HydrophobicContact CE2-CE1 4.18Å; F588-F597 AromaticContact CE2-CG 3.65Å; F588-F597 HydrophobicContact CE2-CG 3.65Å; F588-F597 HydrophobicContact CZ-CB 3.54Å; F588-F597 AromaticContact CZ-CD1 3.65Å; F588-F597 HydrophobicContact CZ-CD1 3.65Å; F588-F597 AromaticContact CZ-CD2 3.51Å; F588-F597 HydrophobicContact CZ-CD2 3.51Å; F588-F597 HydrophobicContact CZ-CE1 4.17Å; F588-F597 HydrophobicContact CZ-CE2 4.05Å; F588-F597 AromaticContact CZ-CG 3.27Å; F588-F597 HydrophobicContact CZ-CG 3.27Å; F588-F597 HydrophobicContact CZ-CZ 4.34Å; H593-F597 WeakPolarHBondContact O-CB 3.26Å; H593-F597 PolarHBondContact O-N 3.47Å; A594-F597 WeakPolarHBondContact O-CB 3.39Å; A594-F597 PolarHBondContact O-N 2.92Å; M595-F597 VanDerWaalsContact C-N 3.34Å
598	V	79.1	Confident	79	Confident	34 Å²	34	46.8 Å²	46.8	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-41.4	173.1	-179.3	0	0	0	0	110.8	I568 A594 M595 V600 F603 P604 F606	I568-V598 HydrophobicContact CD1-CG2 3.27Å; A594-V598 WeakPolarHBondContact O-CG2 3.47Å; A594-V598 PolarHBondContact O-N 3.09Å; M595-V598 PolarHBondContact O-N 3.3Å; V598-V600 WeakPolarHBondContact CG1-O 3.44Å; V598-V600 PolarHBondContact O-N 2.93Å; V598-F603 HydrophobicContact CB-CD1 3.77Å; V598-F603 HydrophobicContact CB-CE1 4.01Å; V598-F603 HydrophobicContact CG1-CD1 3.72Å; V598-F603 HydrophobicContact CG1-CE1 4.18Å; V598-F603 HydrophobicContact CG2-CD1 4.3Å; V598-P604 HydrophobicContact CG1-CG 4.45Å; V598-P604 HydrophobicContact CG2-CG 3.71Å; V598-F606 HydrophobicContact CG2-CE1 4.14Å; V598-F606 HydrophobicContact CG2-CZ 4.11Å
599	G	66.6	Low	78.7	Confident	37 Å²	37	48.7 Å²	48.7	38%	0.381	27%	0.267	S	S	.	.			trans	72.2	-15.5	169	0	0	0	0	0	116.4	M595 K596 W632	M595-G599 PolarHBondContact O-N 2.95Å; K596-G599 WeakPolarHBondContact O-CA 3.18Å; K596-G599 PolarHBondContact O-N 3.14Å; G599-W632 WeakPolarHBondContact O-CZ2 3.24Å
600	V	63.9	Low	78	Confident	100 Å²	100	45.5 Å²	45.5	61%	0.606	26%	0.256	S	S	*	.	S	Bend	trans	-141.3	150.4	-179	-68	0	0	0	0	111.4	V598	V598-V600 WeakPolarHBondContact CG1-O 3.44Å; V598-V600 PolarHBondContact O-N 2.93Å
601	E	60.4	Low	76.8	Confident	85 Å²	85	49.4 Å²	49.4	40%	0.397	28%	0.282	S	S	.	.	S	Bend	trans	-89.9	152.9	170.1	-74.6	178.3	-151.3	0	0	110.6	F603 H629 W632	E601-F603 HydrophobicContact CG-CD2 3.81Å; E601-F603 HydrophobicContact CG-CE2 3.49Å; E601-F603 VanDerWaalsContact CG-CE2 3.49Å; E601-F603 HydrophobicContact CG-CZ 4.09Å; E601-H629 VanDerWaalsContact CD-NE2 3.33Å; E601-H629 IonicContact OE1-CD2 3.07Å; E601-H629 PolarHBondContact OE1-CD2 3.4Å; E601-H629 IonicContact OE1-CE1 3.3Å; E601-H629 IonicContact OE1-NE2 2.79Å; E601-H629 PolarHBondContact OE1-NE2 2.8Å; E601-H629 IonicContact OE2-NE2 3.47Å; E601-W632 HydrophobicContact CG-CH2 4.27Å; E601-W632 HydrophobicContact CG-CZ3 4.16Å; E601-W632 WeakPolarHBondContact OE1-CZ3 3.42Å
602	P	60.7	Low	75.7	Confident	98 Å²	98	53.2 Å²	53.2	64%	0.636	32%	0.324	S	S	*	.	S	Bend	cis	-74.5	138.3	-1.3	29.9	-33.4	0	0	0	112.3
603	F	71.2	Confident	74.4	Confident	28 Å²	28	56.3 Å²	56.3	12%	0.123	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-70.4	144.9	177.4	-68.6	-67.9	0	0	0	111.6	M595 V598 E601 F606 F625 H629 W632	M595-F603 HydrophobicContact CB-CD1 4.43Å; M595-F603 HydrophobicContact CB-CE1 3.81Å; M595-F603 HydrophobicContact CB-CZ 3.97Å; M595-F603 HydrophobicContact CE-CD2 4.06Å; M595-F603 HydrophobicContact CE-CE2 4.16Å; M595-F603 HydrophobicContact CG-CD1 4.16Å; M595-F603 HydrophobicContact CG-CE1 3.93Å; M595-F603 HydrophobicContact CG-CE2 4.32Å; M595-F603 HydrophobicContact CG-CG 4.47Å; M595-F603 HydrophobicContact CG-CZ 4.01Å; M595-F603 WeakPolarHBondContact O-CE1 3.48Å; M595-F603 HydrophobicContact SD-CE2 4.49Å; V598-F603 HydrophobicContact CB-CD1 3.77Å; V598-F603 HydrophobicContact CB-CE1 4.01Å; V598-F603 HydrophobicContact CG1-CD1 3.72Å; V598-F603 HydrophobicContact CG1-CE1 4.18Å; V598-F603 HydrophobicContact CG2-CD1 4.3Å; E601-F603 HydrophobicContact CG-CD2 3.81Å; E601-F603 HydrophobicContact CG-CE2 3.49Å; E601-F603 VanDerWaalsContact CG-CE2 3.49Å; E601-F603 HydrophobicContact CG-CZ 4.09Å; F603-F606 HydrophobicContact CB-CD2 4.45Å; F603-F606 HydrophobicContact CB-CE2 3.51Å; F603-F606 HydrophobicContact CB-CZ 3.91Å; F603-F606 HydrophobicContact CD1-CE2 4.01Å; F603-F606 AromaticContact CD1-CZ 3.76Å; F603-F606 HydrophobicContact CD1-CZ 3.76Å; F603-F606 AromaticContact CG-CE2 3.78Å; F603-F606 HydrophobicContact CG-CE2 3.78Å; F603-F606 HydrophobicContact CG-CZ 4.02Å; F603-F625 HydrophobicContact CB-CE2 4.15Å; F603-F625 HydrophobicContact CB-CZ 4.14Å; F603-F625 HydrophobicContact CD2-CE2 4.32Å; F603-F625 AromaticContact CD2-CZ 3.8Å; F603-F625 HydrophobicContact CD2-CZ 3.8Å; F603-F625 HydrophobicContact CG-CZ 4.37Å; F603-H629 AromaticContact CE2-CD2 3.79Å; F603-W632 HydrophobicContact CE1-CZ2 4.31Å; F603-W632 HydrophobicContact CE2-CD2 4.49Å; F603-W632 HydrophobicContact CE2-CE3 4.13Å; F603-W632 HydrophobicContact CE2-CH2 4.4Å; F603-W632 HydrophobicContact CE2-CZ3 4.09Å; F603-W632 AromaticContact CZ-CD2 3.78Å; F603-W632 HydrophobicContact CZ-CD2 3.78Å; F603-W632 AromaticContact CZ-CE2 3.73Å; F603-W632 AromaticContact CZ-CE3 3.8Å; F603-W632 HydrophobicContact CZ-CE3 3.8Å; F603-W632 HydrophobicContact CZ-CG 4.49Å; F603-W632 AromaticContact CZ-CH2 3.76Å; F603-W632 HydrophobicContact CZ-CH2 3.76Å; F603-W632 AromaticContact CZ-CZ2 3.72Å; F603-W632 HydrophobicContact CZ-CZ2 3.72Å; F603-W632 AromaticContact CZ-CZ3 3.8Å; F603-W632 HydrophobicContact CZ-CZ3 3.8Å
604	P	69.5	Low	73	Confident	26 Å²	26	63 Å²	63	17%	0.169	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-62.3	168.1	168.1	26.1	-32.1	0	0	0	111.7	N566 I568 V598 F606	N566-P604 WeakPolarHBondContact O-CB 3.43Å; I568-P604 HydrophobicContact CB-CG 4.48Å; I568-P604 HydrophobicContact CD1-CG 3.59Å; I568-P604 HydrophobicContact CG1-CB 4.47Å; I568-P604 HydrophobicContact CG1-CG 3.82Å; V598-P604 HydrophobicContact CG1-CG 4.45Å; V598-P604 HydrophobicContact CG2-CG 3.71Å; P604-F606 HydrophobicContact CG-CE1 4.46Å; P604-F606 PolarHBondContact O-N 2.85Å; P604-F606 VanDerWaalsContact O-N 3.1Å
605	T	82.3	Confident	71.8	Confident	74 Å²	74	71.9 Å²	71.9	45%	0.454	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	114.2	173.8	-58.4	0	0	0	0	109	N566 E567 I568 L607 P619	N566-T605 PolarHBondContact O-N 3.15Å; E567-T605 WeakPolarHBondContact CA-O 3.29Å; I568-T605 PolarHBondContact N-O 2.64Å; T605-L607 HydrophobicContact CG2-CD2 4.2Å; T605-P619 HydrophobicContact CG2-CB 4.5Å
606	F	85.6	Confident	71	Confident	5 Å²	5	72.5 Å²	72.5	2%	0.022	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.1	172.4	-63.8	-66.9	0	0	0	110.2	I568 I570 L591 A594 M595 V598 F603 P604 P619 V620 F625	I568-F606 HydrophobicContact CB-CD1 3.76Å; I568-F606 HydrophobicContact CB-CE1 4Å; I568-F606 HydrophobicContact CD1-CE1 4.22Å; I568-F606 HydrophobicContact CG2-CD1 3.84Å; I568-F606 HydrophobicContact CG2-CE1 3.99Å; I568-F606 CarbonylContact O-C 3.56Å; I568-F606 VanDerWaalsContact O-CA 3.31Å; I568-F606 WeakPolarHBondContact O-CA 3.42Å; I570-F606 HydrophobicContact CD1-CB 3.71Å; I570-F606 HydrophobicContact CD1-CD1 3.89Å; I570-F606 HydrophobicContact CD1-CG 4.02Å; L591-F606 HydrophobicContact CD1-CB 3.77Å; L591-F606 HydrophobicContact CD1-CD1 3.82Å; L591-F606 HydrophobicContact CD1-CD2 3.37Å; L591-F606 HydrophobicContact CD1-CE1 4.23Å; L591-F606 HydrophobicContact CD1-CE2 3.79Å; L591-F606 HydrophobicContact CD1-CG 3.37Å; L591-F606 HydrophobicContact CD1-CZ 4.21Å; A594-F606 HydrophobicContact CB-CD1 3.94Å; A594-F606 HydrophobicContact CB-CE1 3.63Å; A594-F606 HydrophobicContact CB-CZ 4.49Å; M595-F606 HydrophobicContact CB-CZ 4.46Å; M595-F606 HydrophobicContact CE-CD2 4.44Å; M595-F606 HydrophobicContact CE-CE2 3.88Å; M595-F606 HydrophobicContact CG-CE2 3.66Å; M595-F606 HydrophobicContact CG-CZ 3.65Å; V598-F606 HydrophobicContact CG2-CE1 4.14Å; V598-F606 HydrophobicContact CG2-CZ 4.11Å; F603-F606 HydrophobicContact CB-CD2 4.45Å; F603-F606 HydrophobicContact CB-CE2 3.51Å; F603-F606 HydrophobicContact CB-CZ 3.91Å; F603-F606 HydrophobicContact CD1-CE2 4.01Å; F603-F606 AromaticContact CD1-CZ 3.76Å; F603-F606 HydrophobicContact CD1-CZ 3.76Å; F603-F606 AromaticContact CG-CE2 3.78Å; F603-F606 HydrophobicContact CG-CE2 3.78Å; F603-F606 HydrophobicContact CG-CZ 4.02Å; P604-F606 HydrophobicContact CG-CE1 4.46Å; P604-F606 PolarHBondContact O-N 2.85Å; P604-F606 VanDerWaalsContact O-N 3.1Å; F606-P619 WeakPolarHBondContact O-CA 3.48Å; F606-V620 HydrophobicContact CB-CG2 3.87Å; F606-V620 PolarHBondContact O-N 3.46Å; F606-F625 AromaticContact CD2-CD2 3.95Å; F606-F625 HydrophobicContact CD2-CD2 3.95Å; F606-F625 AromaticContact CD2-CE2 3.69Å; F606-F625 HydrophobicContact CD2-CE2 3.69Å; F606-F625 HydrophobicContact CE2-CD2 4.37Å; F606-F625 AromaticContact CE2-CE2 3.76Å; F606-F625 HydrophobicContact CE2-CE2 3.76Å
607	L	86.6	Confident	71	Confident	14 Å²	14	72.5 Å²	72.5	7%	0.073	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.7	176.5	-67.2	178	0	0	0	109.9	E567 I568 Y569 I570 T605 W617 K618 P619	E567-L607 HydrophobicContact CB-CD1 4.09Å; E567-L607 HydrophobicContact CG-CD1 4.21Å; E567-L607 WeakPolarHBondContact OE2-CD1 3.45Å; I568-L607 PolarHBondContact O-N 2.78Å; Y569-L607 CarbonylContact C-O 3.5Å; Y569-L607 WeakPolarHBondContact CA-O 3.3Å; Y569-L607 HydrophobicContact CD1-CB 4.27Å; Y569-L607 HydrophobicContact CD1-CD1 4.32Å; Y569-L607 HydrophobicContact CE1-CB 4.49Å; Y569-L607 HydrophobicContact CE1-CD1 3.73Å; I570-L607 PolarHBondContact N-O 2.91Å; T605-L607 HydrophobicContact CG2-CD2 4.2Å; L607-W617 HydrophobicContact CB-CB 4.19Å; L607-W617 HydrophobicContact CB-CE3 4.45Å; L607-W617 HydrophobicContact CD1-CB 4.28Å; L607-K618 WeakPolarHBondContact CA-O 3.39Å; L607-P619 HydrophobicContact CD2-CB 4.49Å; L607-P619 HydrophobicContact CD2-CG 4.01Å
608	A	83.2	Confident	71.1	Confident	22 Å²	22	71.9 Å²	71.9	18%	0.182	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149.2	175.8	0	0	0	0	0	112.2	I570 K618 V620	I570-A608 VanDerWaalsContact O-CA 3.26Å; I570-A608 WeakPolarHBondContact O-CA 3.34Å; A608-K618 PolarHBondContact N-O 2.88Å; A608-K618 PolarHBondContact O-N 2.98Å; A608-V620 HydrophobicContact CB-CG2 3.85Å
609	D	81.3	Confident	71.3	Confident	44 Å²	44	74.4 Å²	74.4	24%	0.235	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.6	171.7	61.5	-18.6	0	0	0	111.4	I570 S571 S573 W617	I570-D609 PolarHBondContact O-N 3.42Å; S571-D609 WeakPolarHBondContact CA-OD1 3.15Å; S571-D609 WeakPolarHBondContact CB-OD2 3.42Å; S571-D609 VanDerWaalsContact OG-CG 3.32Å; S571-D609 PolarHBondContact OG-OD2 2.87Å; S573-D609 PolarHBondContact OG-OD2 2.94Å; D609-W617 HydrophobicContact CB-CE3 4.38Å; D609-W617 HydrophobicContact CB-CZ3 4.07Å
610	V	71.9	Confident	72	Confident	37 Å²	37	73.7 Å²	73.7	22%	0.224	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-95.4	116.8	174.1	-179.3	0	0	0	0	108.6	G612 E613 G616 K618	V610-G612 PolarHBondContact O-N 3.06Å; V610-E613 HydrophobicContact CB-CB 4.2Å; V610-E613 HydrophobicContact CB-CG 4.44Å; V610-E613 HydrophobicContact CG1-CB 4.38Å; V610-E613 HydrophobicContact CG1-CG 4.13Å; V610-E613 PolarHBondContact O-N 3.21Å; V610-E613 VanDerWaalsContact O-N 3.09Å; V610-G616 WeakPolarHBondContact CG2-O 3.39Å; V610-G616 PolarHBondContact N-O 3.3Å; V610-G616 VanDerWaalsContact N-O 3.15Å; V610-K618 HydrophobicContact CG2-CB 4Å; V610-K618 HydrophobicContact CG2-CD 3.48Å; V610-K618 VanDerWaalsContact CG2-CD 3.48Å; V610-K618 HydrophobicContact CG2-CG 3.64Å
611	P	63.1	Low	72.8	Confident	128 Å²	128	71.2 Å²	71.2	83%	0.831	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	116.5	177.9	-22.4	31.8	0	0	0	110.9
612	G	63.9	Low	73.6	Confident	88 Å²	88	74.5 Å²	74.5	91%	0.907	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.6	-2.7	179	0	0	0	0	0	116.2	V610	V610-G612 PolarHBondContact O-N 3.06Å
613	E	59	Low	74.4	Confident	96 Å²	96	74.2 Å²	74.2	45%	0.449	42%	0.419	S	S	.	.			trans	-108.9	113.7	169.1	-70.1	177.7	-174.4	0	0	109.2	V610 E615 K618	V610-E613 HydrophobicContact CB-CB 4.2Å; V610-E613 HydrophobicContact CB-CG 4.44Å; V610-E613 HydrophobicContact CG1-CB 4.38Å; V610-E613 HydrophobicContact CG1-CG 4.13Å; V610-E613 PolarHBondContact O-N 3.21Å; V610-E613 VanDerWaalsContact O-N 3.09Å; E613-E615 PolarHBondContact O-N 2.87Å; E613-E615 VanDerWaalsContact O-N 3.13Å; E613-K618 VanDerWaalsContact CD-NZ 3.29Å; E613-K618 IonicContact OE1-NZ 3.76Å; E613-K618 PolarHBondContact OE1-NZ 2.77Å; E613-K618 VanDerWaalsContact OE2-CE 3.29Å; E613-K618 WeakPolarHBondContact OE2-CE 3.5Å; E613-K618 IonicContact OE2-NZ 3.44Å; E613-K618 PolarHBondContact OE2-NZ 3.07Å
614	E	54	Low	74.8	Confident	207 Å²	207	76.5 Å²	76.5	97%	0.967	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.9	-178.1	-85.1	-178.2	156.8	0	0	114.2
615	E	60.1	Low	75.5	Confident	187 Å²	187	78.2 Å²	78.2	87%	0.874	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	16.6	-177.1	-70.2	-175	153.9	0	0	114.1	E613 W617	E613-E615 PolarHBondContact O-N 2.87Å; E613-E615 VanDerWaalsContact O-N 3.13Å; E615-W617 PolarHBondContact O-N 2.91Å
616	G	67.9	Low	75.3	Confident	14 Å²	14	81.2 Å²	81.2	14%	0.144	44%	0.442	C	S	.	.			trans	-97.9	87.3	-174	0	0	0	0	0	114.2	V610	V610-G616 WeakPolarHBondContact CG2-O 3.39Å; V610-G616 PolarHBondContact N-O 3.3Å; V610-G616 VanDerWaalsContact N-O 3.15Å
617	W	81.9	Confident	75.3	Confident	89 Å²	89	87 Å²	87	34%	0.337	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.5	162.1	-66.5	106.8	0	0	0	109.3	Y569 I570 P587 L607 D609 E615	Y569-W617 AromaticContact CD1-CD2 3.54Å; Y569-W617 HydrophobicContact CD1-CD2 3.54Å; Y569-W617 AromaticContact CD1-CE2 3.64Å; Y569-W617 AromaticContact CD1-CE3 3.77Å; Y569-W617 HydrophobicContact CD1-CE3 3.77Å; Y569-W617 AromaticContact CD1-CG 3.98Å; Y569-W617 HydrophobicContact CD1-CG 3.98Å; Y569-W617 HydrophobicContact CD1-CH2 4.22Å; Y569-W617 HydrophobicContact CD1-CZ2 4Å; Y569-W617 HydrophobicContact CD1-CZ3 4.11Å; Y569-W617 AromaticContact CE1-CD1 3.96Å; Y569-W617 AromaticContact CE1-CD2 3.99Å; Y569-W617 HydrophobicContact CE1-CD2 3.99Å; Y569-W617 AromaticContact CE1-CG 3.92Å; Y569-W617 HydrophobicContact CE1-CG 3.92Å; I570-W617 WeakPolarHBondContact O-CZ3 3.36Å; P587-W617 HydrophobicContact CB-CH2 4.26Å; P587-W617 HydrophobicContact CG-CH2 4.26Å; L607-W617 HydrophobicContact CB-CB 4.19Å; L607-W617 HydrophobicContact CB-CE3 4.45Å; L607-W617 HydrophobicContact CD1-CB 4.28Å; D609-W617 HydrophobicContact CB-CE3 4.38Å; D609-W617 HydrophobicContact CB-CZ3 4.07Å; E615-W617 PolarHBondContact O-N 2.91Å
618	K	81.1	Confident	75.1	Confident	97 Å²	97	88.6 Å²	88.6	42%	0.422	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.9	178.1	-68.4	-175.5	-169.3	151.6	0	110.8	L607 A608 V610 E613 V620	L607-K618 WeakPolarHBondContact CA-O 3.39Å; A608-K618 PolarHBondContact N-O 2.88Å; A608-K618 PolarHBondContact O-N 2.98Å; V610-K618 HydrophobicContact CG2-CB 4Å; V610-K618 HydrophobicContact CG2-CD 3.48Å; V610-K618 VanDerWaalsContact CG2-CD 3.48Å; V610-K618 HydrophobicContact CG2-CG 3.64Å; E613-K618 VanDerWaalsContact CD-NZ 3.29Å; E613-K618 IonicContact OE1-NZ 3.76Å; E613-K618 PolarHBondContact OE1-NZ 2.77Å; E613-K618 VanDerWaalsContact OE2-CE 3.29Å; E613-K618 WeakPolarHBondContact OE2-CE 3.5Å; E613-K618 IonicContact OE2-NZ 3.44Å; E613-K618 PolarHBondContact OE2-NZ 3.07Å; K618-V620 PolarHBondContact O-N 2.88Å
619	P	82.5	Confident	75	Confident	87 Å²	87	89.2 Å²	89.2	57%	0.565	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	134.7	173	-24.8	33.2	0	0	0	110.8	T605 F606 L607 S621	T605-P619 HydrophobicContact CG2-CB 4.5Å; F606-P619 WeakPolarHBondContact O-CA 3.48Å; L607-P619 HydrophobicContact CD2-CB 4.49Å; L607-P619 HydrophobicContact CD2-CG 4.01Å; P619-S621 PolarHBondContact O-N 2.79Å
620	V	81.5	Confident	75	Confident	21 Å²	21	96.1 Å²	96.1	13%	0.127	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-57.5	131.8	177.6	-178.9	0	0	0	0	109.5	I570 L591 F606 A608 K618 Q624	I570-V620 HydrophobicContact CD1-CG2 4.14Å; L591-V620 HydrophobicContact CD2-CB 4.38Å; L591-V620 HydrophobicContact CD2-CG1 3.76Å; L591-V620 HydrophobicContact CD2-CG2 4.44Å; F606-V620 HydrophobicContact CB-CG2 3.87Å; F606-V620 PolarHBondContact O-N 3.46Å; A608-V620 HydrophobicContact CB-CG2 3.85Å; K618-V620 PolarHBondContact O-N 2.88Å; V620-Q624 HydrophobicContact CG1-CB 3.37Å; V620-Q624 HydrophobicContact CG1-CG 4.28Å
621	S	81.9	Confident	75.3	Confident	49 Å²	49	97.6 Å²	97.6	34%	0.343	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-53.9	142.3	-176.8	68.4	0	0	0	0	111.8	P619 S623 Q624 F625	P619-S621 PolarHBondContact O-N 2.79Å; S621-S623 PolarHBondContact O-N 3.4Å; S621-S623 PolarHBondContact OG-OG 3Å; S621-S623 VanDerWaalsContact OG-OG 3.07Å; S621-Q624 PolarHBondContact O-N 3.45Å; S621-Q624 WeakPolarHBondContact OG-CB 3.33Å; S621-Q624 PolarHBondContact OG-N 3.07Å; S621-Q624 PolarHBondContact OG-OE1 3.03Å; S621-F625 PolarHBondContact O-N 3.34Å
622	Q	76.6	Confident	76	Confident	154 Å²	154	92.6 Å²	92.6	72%	0.72	47%	0.465	S	S	*	.	H	α-helix	trans	-54.5	-30.2	178.6	-78.3	-165.1	-3.4	0	0	113	K626	Q622-K626 WeakPolarHBondContact O-CB 3.44Å; Q622-K626 WeakPolarHBondContact O-CG 3.48Å; Q622-K626 PolarHBondContact O-N 3.01Å
623	S	77.8	Confident	76.6	Confident	91 Å²	91	92.6 Å²	92.6	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-67.2	-43.9	173.2	41.9	0	0	0	0	113.2	S621 K627	S621-S623 PolarHBondContact O-N 3.4Å; S621-S623 PolarHBondContact OG-OG 3Å; S621-S623 VanDerWaalsContact OG-OG 3.07Å; S623-K627 WeakPolarHBondContact O-CB 3.25Å; S623-K627 PolarHBondContact O-N 3.06Å; S623-K627 VanDerWaalsContact O-N 3.13Å
624	Q	80.3	Confident	77.4	Confident	76 Å²	76	93.6 Å²	93.6	36%	0.355	45%	0.446	S	S	.	.	H	α-helix	trans	-67.1	-46.8	174.5	-101.1	172.3	-42.1	0	0	110.6	V620 S621 K626 K627 Y628	V620-Q624 HydrophobicContact CG1-CB 3.37Å; V620-Q624 HydrophobicContact CG1-CG 4.28Å; S621-Q624 PolarHBondContact O-N 3.45Å; S621-Q624 WeakPolarHBondContact OG-CB 3.33Å; S621-Q624 PolarHBondContact OG-N 3.07Å; S621-Q624 PolarHBondContact OG-OE1 3.03Å; Q624-K626 PolarHBondContact O-N 3.08Å; Q624-K627 WeakPolarHBondContact O-CB 3.46Å; Q624-K627 PolarHBondContact O-N 3.18Å; Q624-K627 VanDerWaalsContact O-N 3.08Å; Q624-Y628 HydrophobicContact CG-CE2 4.38Å; Q624-Y628 WeakPolarHBondContact O-CD2 3.49Å; Q624-Y628 PolarHBondContact O-N 3.28Å
625	F	82.4	Confident	78.2	Confident	62 Å²	62	87.7 Å²	87.7	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-55.8	-51.5	178.8	-174	-85.7	0	0	0	110.8	M595 F603 F606 S621 K627 Y628 H629	M595-F625 HydrophobicContact CE-CD1 4.37Å; M595-F625 HydrophobicContact CE-CD2 3.57Å; M595-F625 HydrophobicContact CE-CE1 4.21Å; M595-F625 HydrophobicContact CE-CE2 3.4Å; M595-F625 VanDerWaalsContact CE-CE2 3.4Å; M595-F625 HydrophobicContact CE-CG 4.08Å; M595-F625 HydrophobicContact CE-CZ 3.75Å; F603-F625 HydrophobicContact CB-CE2 4.15Å; F603-F625 HydrophobicContact CB-CZ 4.14Å; F603-F625 HydrophobicContact CD2-CE2 4.32Å; F603-F625 AromaticContact CD2-CZ 3.8Å; F603-F625 HydrophobicContact CD2-CZ 3.8Å; F603-F625 HydrophobicContact CG-CZ 4.37Å; F606-F625 AromaticContact CD2-CD2 3.95Å; F606-F625 HydrophobicContact CD2-CD2 3.95Å; F606-F625 AromaticContact CD2-CE2 3.69Å; F606-F625 HydrophobicContact CD2-CE2 3.69Å; F606-F625 HydrophobicContact CE2-CD2 4.37Å; F606-F625 AromaticContact CE2-CE2 3.76Å; F606-F625 HydrophobicContact CE2-CE2 3.76Å; S621-F625 PolarHBondContact O-N 3.34Å; F625-K627 VanDerWaalsContact C-N 3.29Å; F625-K627 PolarHBondContact O-N 3.31Å; F625-Y628 PolarHBondContact O-N 3.32Å; F625-H629 HydrophobicContact CD1-CB 4.4Å; F625-H629 HydrophobicContact CE1-CB 4.38Å; F625-H629 WeakPolarHBondContact O-CB 3.45Å; F625-H629 PolarHBondContact O-N 3.43Å
626	K	79.9	Confident	78.6	Confident	138 Å²	138	81.6 Å²	81.6	60%	0.6	39%	0.392	S	S	*	.	H	α-helix	trans	-59.5	-34.8	176.2	-78.8	-179.7	178.7	175.8	0	113.6	Q622 Q624 R630	Q622-K626 WeakPolarHBondContact O-CB 3.44Å; Q622-K626 WeakPolarHBondContact O-CG 3.48Å; Q622-K626 PolarHBondContact O-N 3.01Å; Q624-K626 PolarHBondContact O-N 3.08Å; K626-R630 WeakPolarHBondContact O-CG 3.39Å; K626-R630 PolarHBondContact O-N 3.27Å; K626-R630 VanDerWaalsContact O-N 3.15Å
627	K	83.7	Confident	78.5	Confident	127 Å²	127	89.5 Å²	89.5	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-67	-50	177.4	-179.2	-172.3	174.4	-170.1	0	111.3	S623 Q624 F625 R630 L631	S623-K627 WeakPolarHBondContact O-CB 3.25Å; S623-K627 PolarHBondContact O-N 3.06Å; S623-K627 VanDerWaalsContact O-N 3.13Å; Q624-K627 WeakPolarHBondContact O-CB 3.46Å; Q624-K627 PolarHBondContact O-N 3.18Å; Q624-K627 VanDerWaalsContact O-N 3.08Å; F625-K627 VanDerWaalsContact C-N 3.29Å; F625-K627 PolarHBondContact O-N 3.31Å; K627-R630 PolarHBondContact O-N 3.11Å; K627-L631 PolarHBondContact O-N 2.89Å
628	Y	83.3	Confident	77.5	Confident	46 Å²	46	92 Å²	92	18%	0.18	43%	0.431	C	S	.	.	H	α-helix	trans	-74.5	-33	-178.6	-77.3	-77.9	0	0	0	112.8	L591 L592 Q624 F625 L631 W632	L591-Y628 HydrophobicContact CB-CD2 4.15Å; L591-Y628 HydrophobicContact CB-CG 4.14Å; L591-Y628 HydrophobicContact CD2-CD2 3.78Å; L591-Y628 HydrophobicContact CD2-CG 4.02Å; L591-Y628 HydrophobicContact CG-CD2 4.3Å; L591-Y628 HydrophobicContact CG-CG 4.16Å; L592-Y628 HydrophobicContact CB-CD1 3.81Å; L592-Y628 HydrophobicContact CB-CE1 4.2Å; Q624-Y628 HydrophobicContact CG-CE2 4.38Å; Q624-Y628 WeakPolarHBondContact O-CD2 3.49Å; Q624-Y628 PolarHBondContact O-N 3.28Å; F625-Y628 PolarHBondContact O-N 3.32Å; Y628-L631 HydrophobicContact CD1-CD1 4.07Å; Y628-L631 HydrophobicContact CE1-CD1 4.37Å; Y628-L631 WeakPolarHBondContact O-CB 3.15Å; Y628-L631 PolarHBondContact O-N 2.91Å; Y628-L631 VanDerWaalsContact O-N 3.16Å; Y628-W632 WeakPolarHBondContact O-CB 3.39Å; Y628-W632 PolarHBondContact O-N 3.13Å
629	H	80.4	Confident	76.3	Confident	36 Å²	36	90.9 Å²	90.9	17%	0.167	44%	0.435	C	S	.	.	H	α-helix	trans	-58.2	-46.6	169.8	-177.7	-91.7	0	0	0	111.8	M595 E601 F603 F625 L631 W632 Q633	M595-H629 HydrophobicContact CE-CB 4.07Å; E601-H629 VanDerWaalsContact CD-NE2 3.33Å; E601-H629 IonicContact OE1-CD2 3.07Å; E601-H629 PolarHBondContact OE1-CD2 3.4Å; E601-H629 IonicContact OE1-CE1 3.3Å; E601-H629 IonicContact OE1-NE2 2.79Å; E601-H629 PolarHBondContact OE1-NE2 2.8Å; E601-H629 IonicContact OE2-NE2 3.47Å; F603-H629 AromaticContact CE2-CD2 3.79Å; F625-H629 HydrophobicContact CD1-CB 4.4Å; F625-H629 HydrophobicContact CE1-CB 4.38Å; F625-H629 WeakPolarHBondContact O-CB 3.45Å; F625-H629 PolarHBondContact O-N 3.43Å; H629-L631 VanDerWaalsContact C-N 3.34Å; H629-L631 PolarHBondContact O-N 2.73Å; H629-W632 PolarHBondContact O-N 3.14Å; H629-Q633 PolarHBondContact CE1-NE2 3.41Å; H629-Q633 WeakPolarHBondContact O-CB 3.4Å; H629-Q633 WeakPolarHBondContact O-CG 3.4Å; H629-Q633 PolarHBondContact O-N 2.96Å
630	R	80.9	Confident	74.8	Confident	189 Å²	189	92.2 Å²	92.2	71%	0.713	43%	0.432	S	S	*	.	H	α-helix	trans	-61.1	-37.9	172.4	-83.1	-176.2	-175.1	174.4	2.2	113.5	K626 K627 Q634	K626-R630 WeakPolarHBondContact O-CG 3.39Å; K626-R630 PolarHBondContact O-N 3.27Å; K626-R630 VanDerWaalsContact O-N 3.15Å; K627-R630 PolarHBondContact O-N 3.11Å; R630-Q634 WeakPolarHBondContact O-CB 3.42Å; R630-Q634 PolarHBondContact O-N 2.76Å
631	L	78.9	Confident	73.3	Confident	67 Å²	67	97.5 Å²	97.5	35%	0.351	46%	0.455	S	S	.	.	H	α-helix	trans	-67.4	-45.4	177.6	-76.8	166.8	0	0	0	111.2	L592 K627 Y628 H629 Q634 E635	L592-L631 HydrophobicContact CD1-CB 4.13Å; K627-L631 PolarHBondContact O-N 2.89Å; Y628-L631 HydrophobicContact CD1-CD1 4.07Å; Y628-L631 HydrophobicContact CE1-CD1 4.37Å; Y628-L631 WeakPolarHBondContact O-CB 3.15Å; Y628-L631 PolarHBondContact O-N 2.91Å; Y628-L631 VanDerWaalsContact O-N 3.16Å; H629-L631 VanDerWaalsContact C-N 3.34Å; H629-L631 PolarHBondContact O-N 2.73Å; L631-Q634 WeakPolarHBondContact O-CB 3.41Å; L631-Q634 PolarHBondContact O-N 2.89Å; L631-E635 PolarHBondContact O-N 3.02Å
632	W	78.8	Confident	71.7	Confident	24 Å²	24	105.3 Å²	105.3	9%	0.091	48%	0.477	C	S	.	.	H	α-helix	trans	-60.9	-44.7	175	179.3	83.5	0	0	0	111.4	L592 M595 G599 E601 F603 Y628 H629 Q634 E635 L636	L592-W632 HydrophobicContact CD1-CB 3.89Å; M595-W632 HydrophobicContact CB-CG 4.27Å; M595-W632 PolarHBondContact O-NE1 3.35Å; G599-W632 WeakPolarHBondContact O-CZ2 3.24Å; E601-W632 HydrophobicContact CG-CH2 4.27Å; E601-W632 HydrophobicContact CG-CZ3 4.16Å; E601-W632 WeakPolarHBondContact OE1-CZ3 3.42Å; F603-W632 HydrophobicContact CE1-CZ2 4.31Å; F603-W632 HydrophobicContact CE2-CD2 4.49Å; F603-W632 HydrophobicContact CE2-CE3 4.13Å; F603-W632 HydrophobicContact CE2-CH2 4.4Å; F603-W632 HydrophobicContact CE2-CZ3 4.09Å; F603-W632 AromaticContact CZ-CD2 3.78Å; F603-W632 HydrophobicContact CZ-CD2 3.78Å; F603-W632 AromaticContact CZ-CE2 3.73Å; F603-W632 AromaticContact CZ-CE3 3.8Å; F603-W632 HydrophobicContact CZ-CE3 3.8Å; F603-W632 HydrophobicContact CZ-CG 4.49Å; F603-W632 AromaticContact CZ-CH2 3.76Å; F603-W632 HydrophobicContact CZ-CH2 3.76Å; F603-W632 AromaticContact CZ-CZ2 3.72Å; F603-W632 HydrophobicContact CZ-CZ2 3.72Å; F603-W632 AromaticContact CZ-CZ3 3.8Å; F603-W632 HydrophobicContact CZ-CZ3 3.8Å; Y628-W632 WeakPolarHBondContact O-CB 3.39Å; Y628-W632 PolarHBondContact O-N 3.13Å; H629-W632 PolarHBondContact O-N 3.14Å; W632-Q634 VanDerWaalsContact C-N 3.34Å; W632-Q634 PolarHBondContact O-N 3.14Å; W632-E635 PolarHBondContact O-N 3.23Å; W632-L636 HydrophobicContact CD2-CD1 3.57Å; W632-L636 HydrophobicContact CE3-CD1 3.68Å; W632-L636 HydrophobicContact CG-CD1 4.42Å; W632-L636 HydrophobicContact CH2-CD1 3.35Å; W632-L636 HydrophobicContact CZ2-CD1 3.22Å; W632-L636 HydrophobicContact CZ3-CD1 3.57Å; W632-L636 PolarHBondContact O-N 3.19Å
633	Q	76.1	Confident	70.3	Confident	88 Å²	88	100.7 Å²	100.7	41%	0.411	46%	0.459	S	S	.	.	H	α-helix	trans	-63.2	-35.7	173.2	-73.5	-162.3	-13.4	0	0	112.9	H629 R637	H629-Q633 PolarHBondContact CE1-NE2 3.41Å; H629-Q633 WeakPolarHBondContact O-CB 3.4Å; H629-Q633 WeakPolarHBondContact O-CG 3.4Å; H629-Q633 PolarHBondContact O-N 2.96Å; Q633-R637 WeakPolarHBondContact O-CB 3.49Å; Q633-R637 PolarHBondContact O-N 2.96Å
634	Q	75.1	Confident	69	Low	116 Å²	116	100.1 Å²	100.1	54%	0.542	46%	0.455	S	S	.	.	H	α-helix	trans	-65.8	-39.1	173	-101.5	-174.6	-7.3	0	0	112.4	R630 L631 W632 R637 K638	R630-Q634 WeakPolarHBondContact O-CB 3.42Å; R630-Q634 PolarHBondContact O-N 2.76Å; L631-Q634 WeakPolarHBondContact O-CB 3.41Å; L631-Q634 PolarHBondContact O-N 2.89Å; W632-Q634 VanDerWaalsContact C-N 3.34Å; W632-Q634 PolarHBondContact O-N 3.14Å; Q634-R637 PolarHBondContact O-N 2.77Å; Q634-K638 WeakPolarHBondContact O-CG 3.35Å; Q634-K638 PolarHBondContact O-N 3.49Å
635	E	70.5	Confident	67.3	Low	83 Å²	83	103.8 Å²	103.8	39%	0.388	47%	0.47	S	S	.	.	H	α-helix	trans	-70	-38.9	175.3	-84.3	-178.1	140.7	0	0	112.1	K596 L631 W632 R637 K638 S639	K596-E635 WeakPolarHBondContact CE-OE2 3.39Å; K596-E635 IonicContact NZ-OE1 2.77Å; K596-E635 PolarHBondContact NZ-OE1 3.19Å; K596-E635 IonicContact NZ-OE2 2.78Å; K596-E635 PolarHBondContact NZ-OE2 2.93Å; L631-E635 PolarHBondContact O-N 3.02Å; W632-E635 PolarHBondContact O-N 3.23Å; E635-R637 VanDerWaalsContact C-N 3.31Å; E635-R637 PolarHBondContact O-N 3.05Å; E635-K638 PolarHBondContact O-N 3.48Å; E635-S639 VanDerWaalsContact O-CB 3.29Å; E635-S639 WeakPolarHBondContact O-CB 3.4Å; E635-S639 PolarHBondContact O-N 2.97Å
636	L	68.1	Low	65.6	Low	60 Å²	60	106.5 Å²	106.5	31%	0.314	48%	0.484	S	S	.	.	H	α-helix	trans	-60.6	-40	170.8	-102.9	143.2	0	0	0	112	W632 S639 K640	W632-L636 HydrophobicContact CD2-CD1 3.57Å; W632-L636 HydrophobicContact CE3-CD1 3.68Å; W632-L636 HydrophobicContact CG-CD1 4.42Å; W632-L636 HydrophobicContact CH2-CD1 3.35Å; W632-L636 HydrophobicContact CZ2-CD1 3.22Å; W632-L636 HydrophobicContact CZ3-CD1 3.57Å; W632-L636 PolarHBondContact O-N 3.19Å; L636-S639 PolarHBondContact O-N 2.94Å; L636-K640 WeakPolarHBondContact O-CB 3.28Å; L636-K640 WeakPolarHBondContact O-CG 3.44Å; L636-K640 PolarHBondContact O-N 2.8Å
637	R	66	Low	64.1	Low	179 Å²	179	103.3 Å²	103.3	68%	0.675	47%	0.473	S	S	*	.	H	α-helix	trans	-64.9	-44.1	172.2	-91.3	-178.5	158.3	176.2	-5.1	112.3	Q633 Q634 E635 S639 K640 E641	Q633-R637 WeakPolarHBondContact O-CB 3.49Å; Q633-R637 PolarHBondContact O-N 2.96Å; Q634-R637 PolarHBondContact O-N 2.77Å; E635-R637 VanDerWaalsContact C-N 3.31Å; E635-R637 PolarHBondContact O-N 3.05Å; R637-S639 VanDerWaalsContact C-N 3.33Å; R637-S639 PolarHBondContact O-N 3.36Å; R637-K640 PolarHBondContact O-N 3.45Å; R637-E641 WeakPolarHBondContact O-CB 3.25Å; R637-E641 WeakPolarHBondContact O-CG 3.44Å; R637-E641 PolarHBondContact O-N 3.17Å
638	K	62	Low	62.3	Low	142 Å²	142	103.7 Å²	103.7	62%	0.617	48%	0.476	S	S	*	.	H	α-helix	trans	-67.5	-31.9	176.9	-76.6	179.7	177.7	177.9	0	113.1	Q634 E635 R642	Q634-K638 WeakPolarHBondContact O-CG 3.35Å; Q634-K638 PolarHBondContact O-N 3.49Å; E635-K638 PolarHBondContact O-N 3.48Å; K638-R642 PolarHBondContact O-N 3.02Å; K638-R642 VanDerWaalsContact O-N 3.16Å
639	S	54.7	Low	60.6	Low	73 Å²	73	106.3 Å²	106.3	51%	0.51	49%	0.494	S	S	.	.	H	α-helix	trans	-67.5	-49.6	171.4	172.7	0	0	0	0	110.3	E635 L636 R637 E641 R642 T643	E635-S639 VanDerWaalsContact O-CB 3.29Å; E635-S639 WeakPolarHBondContact O-CB 3.4Å; E635-S639 PolarHBondContact O-N 2.97Å; L636-S639 PolarHBondContact O-N 2.94Å; R637-S639 VanDerWaalsContact C-N 3.33Å; R637-S639 PolarHBondContact O-N 3.36Å; S639-E641 PolarHBondContact O-N 2.81Å; S639-R642 PolarHBondContact O-N 2.82Å; S639-T643 PolarHBondContact O-N 2.69Å; S639-T643 PolarHBondContact O-OG1 3.17Å
640	K	52.3	Low	59.1	Low	115 Å²	115	106.9 Å²	106.9	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-34.2	176.4	-76.1	-178.6	175.3	-177.3	0	113.6	L636 R637 S644	L636-K640 WeakPolarHBondContact O-CB 3.28Å; L636-K640 WeakPolarHBondContact O-CG 3.44Å; L636-K640 PolarHBondContact O-N 2.8Å; R637-K640 PolarHBondContact O-N 3.45Å; K640-S644 PolarHBondContact O-N 3.19Å
641	E	49.6	Very low	57.6	Low	133 Å²	133	102.5 Å²	102.5	62%	0.621	49%	0.494	S	S	*	.	H	α-helix	trans	-77.2	-26.1	177.4	-77.1	174.7	177.1	0	0	113.3	R637 S639	R637-E641 WeakPolarHBondContact O-CB 3.25Å; R637-E641 WeakPolarHBondContact O-CG 3.44Å; R637-E641 PolarHBondContact O-N 3.17Å; S639-E641 PolarHBondContact O-N 2.81Å
642	R	47.5	Very low	56	Low	213 Å²	213	107.8 Å²	107.8	80%	0.804	51%	0.51	S	S	*	.	H	α-helix	trans	-72.6	-31.8	171.5	-103.6	179.1	171.3	178.2	-3.5	112.4	K638 S639	K638-R642 PolarHBondContact O-N 3.02Å; K638-R642 VanDerWaalsContact O-N 3.16Å; S639-R642 PolarHBondContact O-N 2.82Å
643	T	48.8	Very low	54.2	Low	56 Å²	56	116.7 Å²	116.7	34%	0.344	54%	0.543	S	S	.	.	H	α-helix	trans	-81.5	-16.4	177.6	-29.2	0	0	0	0	112.9	R509 S639	R509-T643 HydrophobicContact CB-CG2 4.49Å; R509-T643 HydrophobicContact CG-CG2 3.9Å; S639-T643 PolarHBondContact O-N 2.69Å; S639-T643 PolarHBondContact O-OG1 3.17Å
644	S	48.9	Very low	52.8	Low	79 Å²	79	118.2 Å²	118.2	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-84.4	-6.3	-179.7	-170	0	0	0	0	114.7	K640	K640-S644 PolarHBondContact O-N 3.19Å
645	K	45.7	Very low	51.4	Low	154 Å²	154	119.1 Å²	119.1	67%	0.67	56%	0.559	S	S	*	*	H	α-helix	trans	-105.7	-19.3	179.6	-134.5	176.8	-175.3	179.5	0	113.9
646	E	45.6	Very low	50	Low	118 Å²	118	121.9 Å²	121.9	55%	0.551	58%	0.576	S	S	*	*	H	α-helix	trans	-81.2	-20.6	173.5	-65.5	-169.2	173.4	0	0	112.4	K508 A650	K508-E646 IonicContact NZ-OE1 3.49Å; K508-E646 IonicContact NZ-OE2 3.01Å; K508-E646 PolarHBondContact NZ-OE2 2.87Å; E646-A650 PolarHBondContact O-N 2.73Å
647	L	48.2	Very low	48.8	Very low	72 Å²	72	126 Å²	126	38%	0.377	60%	0.597	S	S	.	*	H	α-helix	trans	-72.7	-30.6	177.2	-144.1	83.4	0	0	0	112.5	I651	L647-I651 VanDerWaalsContact O-CD1 3.27Å; L647-I651 WeakPolarHBondContact O-CD1 3.42Å; L647-I651 VanDerWaalsContact O-CG1 3.25Å; L647-I651 WeakPolarHBondContact O-CG1 3.28Å; L647-I651 PolarHBondContact O-N 3.36Å
648	E	47.6	Very low	48	Very low	134 Å²	134	125.6 Å²	125.6	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-78.3	-28.9	179.9	-73.3	-177.4	154.6	0	0	113.3
649	D	46.8	Very low	47.1	Very low	102 Å²	102	124 Å²	124	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-81.8	-23.1	177	-81.9	-27.9	0	0	0	113.1	R652	D649-R652 IonicContact OD1-NH1 3.72Å
650	A	48.4	Very low	46.4	Very low	47 Å²	47	124.1 Å²	124.1	39%	0.388	62%	0.622	S	S	.	*	H	α-helix	trans	-71.4	-39.4	170.8	0	0	0	0	0	111.8	E646 R652 R653	E646-A650 PolarHBondContact O-N 2.73Å; A650-R652 PolarHBondContact O-N 2.92Å; A650-R653 PolarHBondContact O-N 3.48Å
651	I	50.6	Low	46.4	Very low	98 Å²	98	124 Å²	124	50%	0.503	62%	0.622	S	S	.	*	H	α-helix	trans	-63.8	-24.9	177.1	-68.3	166.5	0	0	0	112	L647	L647-I651 VanDerWaalsContact O-CD1 3.27Å; L647-I651 WeakPolarHBondContact O-CD1 3.42Å; L647-I651 VanDerWaalsContact O-CG1 3.25Å; L647-I651 WeakPolarHBondContact O-CG1 3.28Å; L647-I651 PolarHBondContact O-N 3.36Å
652	R	44.8	Very low	46.3	Very low	178 Å²	178	123.4 Å²	123.4	67%	0.672	63%	0.632	S	S	*	*	H	α-helix	trans	-85.9	-12.3	-179.9	-133.7	175.3	87.6	-148.4	8.5	114.8	D649 A650	D649-R652 IonicContact OD1-NH1 3.72Å; A650-R652 PolarHBondContact O-N 2.92Å
653	R	41.9	Very low	46.7	Very low	210 Å²	210	117.3 Å²	117.3	79%	0.792	62%	0.618	S	S	*	*	H	α-helix	trans	-89.5	-30.6	179.9	-103.9	176.1	175.3	153.3	-1.6	113.4	A650	A650-R653 PolarHBondContact O-N 3.48Å
654	D	46	Very low	47.3	Very low	121 Å²	121	121.6 Å²	121.6	65%	0.647	64%	0.638	S	S	*	*	H	α-helix	trans	-76.2	-22.6	-179.8	-108.2	12.6	0	0	0	113.6	N656	D654-N656 PolarHBondContact O-N 3.2Å
655	Q	45.3	Very low	48.2	Very low	135 Å²	135	120.1 Å²	120.1	63%	0.631	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	3.2	-177.2	-69.7	178.6	-17.9	0	0	115.1
656	N	40.8	Very low	49.8	Very low	141 Å²	141	120.4 Å²	120.4	75%	0.754	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	2.4	-174.4	-78.8	-37.9	0	0	0	115.9	D654	D654-N656 PolarHBondContact O-N 3.2Å
657	L	43.1	Very low	51.6	Low	145 Å²	145	118.4 Å²	118.4	76%	0.759	62%	0.62	S	S	*	*	S	Bend	trans	-95.8	-7.1	-178.7	-108.1	110.4	0	0	0	115.2
658	E	49	Very low	53.3	Low	171 Å²	171	118.5 Å²	118.5	80%	0.799	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-87.5	-4.6	-167.4	-91.7	171.5	146.5	0	0	116.5	A660	E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 3.39Å
659	A	42.8	Very low	55	Low	108 Å²	108	117.9 Å²	117.9	89%	0.893	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-83.2	5.8	-173.2	0	0	0	0	0	115.9
660	A	41.4	Very low	56.9	Low	77 Å²	77	119.8 Å²	119.8	64%	0.636	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-112.9	5.4	-164.9	0	0	0	0	0	117.3	E658 S662	E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 3.39Å; A660-S662 PolarHBondContact O-N 2.91Å
661	K	52.5	Low	58.8	Low	112 Å²	112	120.7 Å²	120.7	49%	0.487	64%	0.637	S	S	.	*			trans	-103.3	70	-172.7	-64.7	-173.7	179.3	-171.6	0	113.2	V663 Y730	K661-V663 VanDerWaalsContact C-N 3.31Å; K661-V663 PolarHBondContact O-N 3.41Å; K661-Y730 HydrophobicContact CD-CD1 4.18Å; K661-Y730 HydrophobicContact CG-CD1 4.29Å; K661-Y730 HydrophobicContact CG-CG 4.29Å
662	S	47.5	Very low	60.5	Low	121 Å²	121	120.4 Å²	120.4	85%	0.846	64%	0.642	S	S	*	*			trans	-83.4	22.5	-170.9	65.9	0	0	0	0	116.8	A660	A660-S662 PolarHBondContact O-N 2.91Å
663	V	54.8	Low	62.7	Low	84 Å²	84	117.2 Å²	117.2	51%	0.509	65%	0.646	S	S	.	*			trans	-136.7	89.8	169.3	-176.6	0	0	0	0	108	K661	K661-V663 VanDerWaalsContact C-N 3.31Å; K661-V663 PolarHBondContact O-N 3.41Å
664	L	62.6	Low	65.2	Low	146 Å²	146	108.7 Å²	108.7	76%	0.764	62%	0.618	S	S	*	*			trans	-88.3	122.5	176.7	-74.2	159.7	0	0	0	109.2
665	V	67.8	Low	67.5	Low	48 Å²	48	106.4 Å²	106.4	29%	0.291	61%	0.609	S	S	.	*			trans	-103.6	130	162	178.3	0	0	0	0	105.7	L726 T729 F766	V665-L726 HydrophobicContact CB-CD2 4.48Å; V665-L726 HydrophobicContact CG1-CD2 3.69Å; V665-L726 HydrophobicContact CG2-CD2 4.44Å; V665-T729 HydrophobicContact CB-CG2 4.25Å; V665-T729 HydrophobicContact CG2-CG2 3.48Å; V665-T729 VanDerWaalsContact CG2-CG2 3.48Å; V665-F766 HydrophobicContact CG1-CD2 4.15Å; V665-F766 HydrophobicContact CG1-CE2 4.49Å; V665-F766 WeakPolarHBondContact O-CE2 3.23Å
666	E	78.6	Confident	69.8	Low	161 Å²	161	104.3 Å²	104.3	75%	0.752	61%	0.605	S	S	*	*			trans	-106.5	155.7	173.7	-65.7	-179.6	172.3	0	0	109.2	D668	E666-D668 PolarHBondContact O-N 3.44Å
667	E	83.9	Confident	72.4	Confident	75 Å²	75	98.4 Å²	98.4	35%	0.35	57%	0.574	S	S	.	*			trans	-63	132.5	171.4	-178.8	173.4	-175.9	0	0	109.4	P669 R689 F766	E667-P669 WeakPolarHBondContact O-CD 3.28Å; E667-R689 IonicContact OE1-CZ 3.63Å; E667-R689 IonicContact OE1-NH1 2.64Å; E667-R689 PolarHBondContact OE1-NH1 2.64Å; E667-R689 IonicContact OE1-NH2 3.48Å; E667-R689 PolarHBondContact OE1-NH2 3.18Å; E667-R689 VanDerWaalsContact OE1-NH2 3.12Å; E667-F766 HydrophobicContact CB-CD1 4.11Å; E667-F766 HydrophobicContact CB-CD2 4.28Å; E667-F766 HydrophobicContact CB-CE1 4.31Å; E667-F766 HydrophobicContact CB-CE2 4.5Å; E667-F766 HydrophobicContact CB-CG 4.08Å
668	D	84	Confident	74.9	Confident	74 Å²	74	93.7 Å²	93.7	40%	0.396	55%	0.547	S	S	.	.			trans	-70.6	112.7	178.5	-175	-9.6	0	0	0	110.3	E666 N670 L671	E666-D668 PolarHBondContact O-N 3.44Å; D668-N670 PolarHBondContact O-N 2.88Å; D668-N670 VanDerWaalsContact O-N 3.12Å; D668-N670 WeakPolarHBondContact OD1-CB 3.31Å; D668-N670 PolarHBondContact OD1-N 3.46Å; D668-N670 PolarHBondContact OD1-ND2 3.12Å; D668-L671 HydrophobicContact CB-CD1 4.06Å; D668-L671 HydrophobicContact CB-CG 4.12Å; D668-L671 PolarHBondContact O-N 3.5Å
669	P	83.2	Confident	77.1	Confident	121 Å²	121	86 Å²	86	79%	0.786	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.4	-177.7	30.3	-36.6	0	0	0	113.5	E667	E667-P669 WeakPolarHBondContact O-CD 3.28Å
670	N	85.4	Confident	79.5	Confident	143 Å²	143	86 Å²	86	77%	0.765	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.9	178.5	-56.2	-69.9	0	0	0	113.5	D668	D668-N670 PolarHBondContact O-N 2.88Å; D668-N670 VanDerWaalsContact O-N 3.12Å; D668-N670 WeakPolarHBondContact OD1-CB 3.31Å; D668-N670 PolarHBondContact OD1-N 3.46Å; D668-N670 PolarHBondContact OD1-ND2 3.12Å
671	L	88	Confident	82	Confident	66 Å²	66	85 Å²	85	35%	0.346	47%	0.472	S	S	.	.	S	Bend	trans	-82.9	152.5	175.6	-65.9	177.3	0	0	0	110.9	D668 S673 D765	D668-L671 HydrophobicContact CB-CD1 4.06Å; D668-L671 HydrophobicContact CB-CG 4.12Å; D668-L671 PolarHBondContact O-N 3.5Å; L671-S673 PolarHBondContact O-N 3.21Å; L671-D765 HydrophobicContact CD1-CB 4.12Å
672	P	87.8	Confident	84	Confident	92 Å²	92	79.7 Å²	79.7	60%	0.597	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-54.3	141.9	173.6	-24.7	34	0	0	0	111.7	R689	P672-R689 WeakPolarHBondContact O-CD 3.33Å; P672-R689 PolarHBondContact O-NH1 3.47Å
673	S	91.3	Very high	86.1	Confident	110 Å²	110	76.8 Å²	76.8	77%	0.769	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-57.8	129.7	174	-57.6	0	0	0	0	109.8	L671	L671-S673 PolarHBondContact O-N 3.21Å
674	P	93	Very high	87.9	Confident	31 Å²	31	79 Å²	79	20%	0.201	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-75.5	142.6	-173.2	31.2	-32.3	0	0	0	110.5	R689 K691 I744	P674-R689 WeakPolarHBondContact CA-O 3.39Å; P674-R689 HydrophobicContact CB-CG 4.32Å; P674-K691 HydrophobicContact CB-CB 3.99Å; P674-K691 HydrophobicContact CG-CB 4.12Å; P674-I744 HydrophobicContact CB-CG2 3.6Å; P674-I744 HydrophobicContact CG-CD1 4.16Å; P674-I744 HydrophobicContact CG-CG2 3.8Å
675	V	93.9	Very high	89.5	Confident	74 Å²	74	74.2 Å²	74.2	45%	0.448	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.8	171	-176.1	0	0	0	0	108.7	V677 R689 V690 K691	V675-V677 HydrophobicContact CB-CG1 4.39Å; V675-V677 HydrophobicContact CG1-CG1 3.91Å; V675-V677 PolarHBondContact O-N 2.97Å; V675-R689 PolarHBondContact N-O 3.41Å; V675-V690 CarbonylContact O-C 3.48Å; V675-V690 VanDerWaalsContact O-CA 3.28Å; V675-V690 WeakPolarHBondContact O-CA 3.37Å; V675-K691 PolarHBondContact O-N 3.37Å
676	V	94.8	Very high	90.7	Very high	91 Å²	91	73.2 Å²	73.2	55%	0.552	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.9	173.6	-178.3	0	0	0	0	109	K691 F693	V676-K691 WeakPolarHBondContact CA-O 3.47Å; V676-K691 HydrophobicContact CG2-CB 4.26Å; V676-K691 HydrophobicContact CG2-CD 4.3Å; V676-F693 HydrophobicContact CG1-CD2 4.22Å; V676-F693 HydrophobicContact CG1-CE2 3.99Å
677	V	94.8	Very high	91.4	Very high	16 Å²	16	73.4 Å²	73.4	10%	0.097	41%	0.405	C	S	.	.			trans	-138.3	151.2	-177.9	-58.2	0	0	0	0	111.1	V675 M685 V690 K691 V692	V675-V677 HydrophobicContact CB-CG1 4.39Å; V675-V677 HydrophobicContact CG1-CG1 3.91Å; V675-V677 PolarHBondContact O-N 2.97Å; V677-M685 HydrophobicContact CG1-CE 4.37Å; V677-M685 HydrophobicContact CG1-CG 4.22Å; V677-V690 HydrophobicContact CG1-CG1 4.34Å; V677-V690 HydrophobicContact CG2-CB 3.84Å; V677-V690 HydrophobicContact CG2-CG1 4.06Å; V677-V690 HydrophobicContact CG2-CG2 4.3Å; V677-K691 PolarHBondContact N-O 3.03Å; V677-K691 VanDerWaalsContact N-O 3.08Å; V677-V692 HydrophobicContact CG2-CG2 3.87Å
678	K	95.3	Very high	91.9	Very high	47 Å²	47	74.9 Å²	74.9	20%	0.204	41%	0.411	C	S	.	.			trans	-80.3	156.8	165.8	-63.8	-71.8	-168.1	162.4	0	109.4	D331 R680 D681 D713 T715	D331-K678 IonicContact OD1-NZ 2.69Å; D331-K678 VanDerWaalsContact OD2-CE 3.3Å; D331-K678 WeakPolarHBondContact OD2-CE 3.36Å; D331-K678 IonicContact OD2-NZ 3.66Å; D331-K678 PolarHBondContact OD2-NZ 3.37Å; K678-R680 VanDerWaalsContact C-N 3.29Å; K678-R680 HydrophobicContact CB-CG 4.14Å; K678-R680 PolarHBondContact O-N 2.97Å; K678-D681 PolarHBondContact O-N 3.37Å; K678-D713 WeakPolarHBondContact CA-OD2 3.49Å; K678-T715 HydrophobicContact CB-CG2 4.19Å; K678-T715 HydrophobicContact CD-CG2 4.34Å; K678-T715 HydrophobicContact CG-CG2 4.44Å
679	I	96.3	Very high	92.5	Very high	8 Å²	8	72.1 Å²	72.1	4%	0.041	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-58.6	-39.3	-177.1	-69.5	175.8	0	0	0	112.2	D681 A682 V692 L711 D713 T715 Y717 L718	I679-D681 PolarHBondContact O-N 2.98Å; I679-D681 VanDerWaalsContact O-N 3.09Å; I679-A682 WeakPolarHBondContact O-CB 3.3Å; I679-A682 PolarHBondContact O-N 3.06Å; I679-V692 HydrophobicContact CD1-CG1 4.48Å; I679-V692 HydrophobicContact CG1-CG1 3.71Å; I679-L711 HydrophobicContact CD1-CB 4.36Å; I679-L711 WeakPolarHBondContact CD1-O 3.29Å; I679-D713 HydrophobicContact CD1-CB 3.91Å; I679-D713 HydrophobicContact CG1-CB 4.23Å; I679-D713 PolarHBondContact N-OD2 2.87Å; I679-T715 PolarHBondContact N-OG1 3.17Å; I679-Y717 WeakPolarHBondContact CG2-O 3.28Å; I679-L718 HydrophobicContact CD1-CB 4.03Å; I679-L718 HydrophobicContact CG1-CB 4.03Å; I679-L718 HydrophobicContact CG2-CB 3.94Å
680	R	93.2	Very high	93.2	Very high	109 Å²	109	66.4 Å²	66.4	41%	0.411	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-55.9	-27.3	177.2	66.2	175.2	-178.8	-169.1	-8.8	114.4	R281 K678 P683 T715	R281-R680 PolarHBondContact O-NH2 2.9Å; K678-R680 VanDerWaalsContact C-N 3.29Å; K678-R680 HydrophobicContact CB-CG 4.14Å; K678-R680 PolarHBondContact O-N 2.97Å; R680-P683 WeakPolarHBondContact O-CD 3.4Å; R680-T715 HydrophobicContact CG-CG2 4.48Å; R680-T715 PolarHBondContact N-OG1 3.47Å
681	D	93.7	Very high	93.7	Very high	56 Å²	56	61.8 Å²	61.8	30%	0.299	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-92	-11	-175.5	-59.3	-54	0	0	0	111.5	K678 I679 P683 N684	K678-D681 PolarHBondContact O-N 3.37Å; I679-D681 PolarHBondContact O-N 2.98Å; I679-D681 VanDerWaalsContact O-N 3.09Å; D681-P683 VanDerWaalsContact C-CD 3.5Å; D681-N684 PolarHBondContact O-N 3.14Å; D681-N684 VanDerWaalsContact O-N 3.07Å
682	A	93.9	Very high	94.2	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.008	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-56.4	-41.6	-178.5	0	0	0	0	0	113.8	I679 N684 M685 L718 L747	I679-A682 WeakPolarHBondContact O-CB 3.3Å; I679-A682 PolarHBondContact O-N 3.06Å; A682-N684 PolarHBondContact O-N 2.99Å; A682-N684 VanDerWaalsContact O-N 3.08Å; A682-M685 PolarHBondContact O-N 3.05Å; A682-L718 HydrophobicContact CB-CD1 4.4Å; A682-L747 HydrophobicContact CB-CD1 3.97Å; A682-L747 HydrophobicContact CB-CD2 4.14Å; A682-L747 WeakPolarHBondContact O-CD1 3.47Å
683	P	91.8	Very high	94.7	Very high	60 Å²	60	56.5 Å²	56.5	39%	0.39	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-59	-24.6	177.2	-25.7	36.2	0	0	0	114.2	R680 D681 M685	R680-P683 WeakPolarHBondContact O-CD 3.4Å; D681-P683 VanDerWaalsContact C-CD 3.5Å; P683-M685 VanDerWaalsContact C-N 3.33Å
684	N	93.5	Very high	95	Very high	130 Å²	130	51.2 Å²	51.2	70%	0.695	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-88.6	-0.1	177.9	-62.5	-40	0	0	0	113.2	D681 A682	D681-N684 PolarHBondContact O-N 3.14Å; D681-N684 VanDerWaalsContact O-N 3.07Å; A682-N684 PolarHBondContact O-N 2.99Å; A682-N684 VanDerWaalsContact O-N 3.08Å
685	M	94.8	Very high	95.2	Very high	45 Å²	45	49.9 Å²	49.9	22%	0.222	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-122.8	18.3	-173.8	-61.3	-68.4	-176	0	0	112.5	V677 A682 P683 K688 V690 L747	V677-M685 HydrophobicContact CG1-CE 4.37Å; V677-M685 HydrophobicContact CG1-CG 4.22Å; A682-M685 PolarHBondContact O-N 3.05Å; P683-M685 VanDerWaalsContact C-N 3.33Å; M685-K688 HydrophobicContact CB-CD 4.5Å; M685-K688 VanDerWaalsContact O-CB 3.31Å; M685-K688 WeakPolarHBondContact O-CB 3.38Å; M685-K688 PolarHBondContact O-N 3.33Å; M685-K688 VanDerWaalsContact O-N 3.08Å; M685-K688 HydrophobicContact SD-CD 3.79Å; M685-V690 HydrophobicContact CB-CG1 4.04Å; M685-L747 HydrophobicContact CB-CD1 3.73Å; M685-L747 WeakPolarHBondContact O-CD1 3.44Å
686	V	92.8	Very high	95.4	Very high	28 Å²	28	46.4 Å²	46.4	17%	0.17	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	143.5	174.7	-173.5	0	0	0	0	110.2	K688 C760	V686-K688 PolarHBondContact O-N 3.41Å; V686-C760 HydrophobicContact CG2-CB 4.2Å
687	E	93.2	Very high	95.4	Very high	164 Å²	164	43.1 Å²	43.1	77%	0.766	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	0.6	-172.6	-48.1	-175.9	157.4	0	0	115.7	L747	E687-L747 WeakPolarHBondContact CA-O 3.35Å; E687-L747 PolarHBondContact N-O 2.84Å
688	K	95.2	Very high	95.3	Very high	106 Å²	106	48.8 Å²	48.8	46%	0.461	23%	0.227	S	C	.	.	S	Bend	trans	-98.9	150.2	174.5	-59.5	-178.9	-178	170.6	0	111.6	M685 V686 V690 T746 L747	M685-K688 HydrophobicContact CB-CD 4.5Å; M685-K688 VanDerWaalsContact O-CB 3.31Å; M685-K688 WeakPolarHBondContact O-CB 3.38Å; M685-K688 PolarHBondContact O-N 3.33Å; M685-K688 VanDerWaalsContact O-N 3.08Å; M685-K688 HydrophobicContact SD-CD 3.79Å; V686-K688 PolarHBondContact O-N 3.41Å; K688-V690 HydrophobicContact CB-CG1 4.39Å; K688-T746 WeakPolarHBondContact O-CA 3.27Å; K688-L747 PolarHBondContact O-N 3.27Å; K688-L747 VanDerWaalsContact O-N 3.09Å
689	R	96.7	Very high	95.2	Very high	17 Å²	17	48.4 Å²	48.4	6%	0.064	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	120.9	167.9	-167.2	171.2	178.3	-101.5	-0.5	109.7	E667 P672 P674 V675 I744 G745 D765	E667-R689 IonicContact OE1-CZ 3.63Å; E667-R689 IonicContact OE1-NH1 2.64Å; E667-R689 PolarHBondContact OE1-NH1 2.64Å; E667-R689 IonicContact OE1-NH2 3.48Å; E667-R689 PolarHBondContact OE1-NH2 3.18Å; E667-R689 VanDerWaalsContact OE1-NH2 3.12Å; P672-R689 WeakPolarHBondContact O-CD 3.33Å; P672-R689 PolarHBondContact O-NH1 3.47Å; P674-R689 WeakPolarHBondContact CA-O 3.39Å; P674-R689 HydrophobicContact CB-CG 4.32Å; V675-R689 PolarHBondContact N-O 3.41Å; R689-I744 HydrophobicContact CG-CG2 4.27Å; R689-G745 CarbonylContact C-O 3.57Å; R689-G745 VanDerWaalsContact CA-O 3.24Å; R689-G745 WeakPolarHBondContact CA-O 3.18Å; R689-D765 IonicContact CZ-OD1 3.5Å; R689-D765 IonicContact CZ-OD2 2.63Å; R689-D765 IonicContact NE-OD1 2.77Å; R689-D765 PolarHBondContact NE-OD1 3.3Å; R689-D765 IonicContact NE-OD2 3.15Å; R689-D765 PolarHBondContact NE-OD2 3.04Å; R689-D765 IonicContact NH2-OD1 3.86Å; R689-D765 PolarHBondContact NH2-OD1 3.4Å; R689-D765 IonicContact NH2-OD2 2.83Å
690	V	97.1	Very high	95.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.3	-173.7	-62.5	0	0	0	0	111.4	V675 V677 M685 K688 V692 I744 G745 L747 L762	V675-V690 CarbonylContact O-C 3.48Å; V675-V690 VanDerWaalsContact O-CA 3.28Å; V675-V690 WeakPolarHBondContact O-CA 3.37Å; V677-V690 HydrophobicContact CG1-CG1 4.34Å; V677-V690 HydrophobicContact CG2-CB 3.84Å; V677-V690 HydrophobicContact CG2-CG1 4.06Å; V677-V690 HydrophobicContact CG2-CG2 4.3Å; M685-V690 HydrophobicContact CB-CG1 4.04Å; K688-V690 HydrophobicContact CB-CG1 4.39Å; V690-V692 HydrophobicContact CG2-CG2 4.02Å; V690-I744 WeakPolarHBondContact O-CA 3.37Å; V690-G745 PolarHBondContact N-O 3.03Å; V690-G745 PolarHBondContact O-N 2.91Å; V690-G745 VanDerWaalsContact O-N 3.12Å; V690-L747 HydrophobicContact CB-CD1 4.46Å; V690-L747 HydrophobicContact CG1-CD1 3.93Å; V690-L747 HydrophobicContact CG2-CD1 3.7Å; V690-L747 HydrophobicContact CG2-CG 3.78Å; V690-L762 HydrophobicContact CG2-CD1 3.6Å
691	K	97.4	Very high	94.9	Very high	47 Å²	47	55.6 Å²	55.6	20%	0.204	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123	170.1	178.5	172.2	-174.3	179	0	108.9	P674 V675 V676 V677 F693 F742 V743 I744	P674-K691 HydrophobicContact CB-CB 3.99Å; P674-K691 HydrophobicContact CG-CB 4.12Å; V675-K691 PolarHBondContact O-N 3.37Å; V676-K691 WeakPolarHBondContact CA-O 3.47Å; V676-K691 HydrophobicContact CG2-CB 4.26Å; V676-K691 HydrophobicContact CG2-CD 4.3Å; V677-K691 PolarHBondContact N-O 3.03Å; V677-K691 VanDerWaalsContact N-O 3.08Å; K691-F693 HydrophobicContact CD-CE2 4.25Å; K691-F693 HydrophobicContact CD-CZ 4.29Å; K691-F693 VanDerWaalsContact CE-CZ 3.45Å; K691-F693 HydrophobicContact CG-CE2 4.23Å; K691-F742 HydrophobicContact CD-CD2 4.38Å; K691-F742 VanDerWaalsContact CE-CD2 3.44Å; K691-F742 HydrophobicContact CG-CD2 4.42Å; K691-V743 CarbonylContact C-O 3.53Å; K691-V743 WeakPolarHBondContact CA-O 3.45Å; K691-I744 HydrophobicContact CB-CG1 4.16Å; K691-I744 HydrophobicContact CD-CD1 4.15Å; K691-I744 HydrophobicContact CD-CG1 4.26Å; K691-I744 HydrophobicContact CG-CD1 4.43Å; K691-I744 HydrophobicContact CG-CG1 4Å
692	V	97.5	Very high	94.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.2	-177.4	-171.7	0	0	0	0	109.3	V677 I679 V690 L711 L718 F742 V743	V677-V692 HydrophobicContact CG2-CG2 3.87Å; I679-V692 HydrophobicContact CD1-CG1 4.48Å; I679-V692 HydrophobicContact CG1-CG1 3.71Å; V690-V692 HydrophobicContact CG2-CG2 4.02Å; V692-L711 HydrophobicContact CB-CD2 4.37Å; V692-L711 HydrophobicContact CG1-CD2 3.87Å; V692-L718 HydrophobicContact CB-CD2 4.5Å; V692-L718 HydrophobicContact CG1-CD2 4.31Å; V692-L718 HydrophobicContact CG2-CD2 4.07Å; V692-F742 CarbonylContact O-C 3.58Å; V692-F742 VanDerWaalsContact O-CA 3.26Å; V692-F742 WeakPolarHBondContact O-CA 3.5Å; V692-V743 HydrophobicContact CB-CG2 3.98Å; V692-V743 PolarHBondContact N-O 3.31Å; V692-V743 PolarHBondContact O-N 3.33Å
693	F	98	Very high	94.5	Very high	46 Å²	46	61.5 Å²	61.5	20%	0.202	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	147.6	173.1	-66.3	-92.3	0	0	0	110.2	F362 V676 K691 D713 L741 F742 I770	F362-F693 HydrophobicContact CB-CB 4.02Å; F362-F693 HydrophobicContact CB-CD1 4.1Å; F362-F693 HydrophobicContact CB-CG 3.98Å; F362-F693 HydrophobicContact CD1-CB 3.86Å; F362-F693 AromaticContact CD1-CD1 3.75Å; F362-F693 HydrophobicContact CD1-CD1 3.75Å; F362-F693 HydrophobicContact CD1-CG 4.13Å; F362-F693 HydrophobicContact CD2-CB 3.68Å; F362-F693 HydrophobicContact CE1-CB 4.22Å; F362-F693 HydrophobicContact CE1-CD1 4.42Å; F362-F693 HydrophobicContact CE2-CB 4.05Å; F362-F693 HydrophobicContact CG-CB 3.58Å; F362-F693 HydrophobicContact CG-CD1 4.04Å; F362-F693 AromaticContact CG-CG 3.98Å; F362-F693 HydrophobicContact CG-CG 3.98Å; F362-F693 HydrophobicContact CZ-CB 4.31Å; V676-F693 HydrophobicContact CG1-CD2 4.22Å; V676-F693 HydrophobicContact CG1-CE2 3.99Å; K691-F693 HydrophobicContact CD-CE2 4.25Å; K691-F693 HydrophobicContact CD-CZ 4.29Å; K691-F693 VanDerWaalsContact CE-CZ 3.45Å; K691-F693 HydrophobicContact CG-CE2 4.23Å; F693-D713 WeakPolarHBondContact O-CB 3.37Å; F693-L741 WeakPolarHBondContact CA-O 3.06Å; F693-F742 HydrophobicContact CD1-CB 3.56Å; F693-F742 HydrophobicContact CD1-CG 4.49Å; F693-F742 HydrophobicContact CE1-CB 3.66Å; F693-F742 HydrophobicContact CE1-CD1 4.07Å; F693-F742 HydrophobicContact CE1-CG 4.15Å; F693-F742 HydrophobicContact CG-CB 4.12Å; F693-F742 HydrophobicContact CZ-CB 4.31Å; F693-I770 HydrophobicContact CD1-CD1 3.62Å; F693-I770 HydrophobicContact CE1-CD1 3.94Å
694	G	97.7	Very high	94	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-171.9	172.4	0	0	0	0	0	114.1	R712 S740 L741	G694-R712 CarbonylContact C-O 3.5Å; G694-R712 VanDerWaalsContact CA-O 3.28Å; G694-R712 WeakPolarHBondContact CA-O 3.22Å; G694-S740 CarbonylContact O-C 3.53Å; G694-S740 VanDerWaalsContact O-CA 3.3Å; G694-S740 WeakPolarHBondContact O-CA 3.3Å; G694-L741 PolarHBondContact N-O 2.93Å; G694-L741 PolarHBondContact O-N 3.19Å
695	W	98	Very high	93.8	Very high	3 Å²	3	66 Å²	66	1%	0.011	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.1	177.7	-64.8	-92.6	0	0	0	110.9	L326 P327 P361 F362 G527 H697 L711 R712 S739	L326-W695 HydrophobicContact CB-CH2 4.35Å; L326-W695 WeakPolarHBondContact O-CH2 2.83Å; L326-W695 WeakPolarHBondContact O-CZ3 3.45Å; P327-W695 HydrophobicContact CB-CD2 3.97Å; P327-W695 HydrophobicContact CB-CE3 4.37Å; P327-W695 HydrophobicContact CB-CG 4.39Å; P327-W695 HydrophobicContact CB-CH2 4.41Å; P327-W695 HydrophobicContact CB-CZ2 4.01Å; P327-W695 HydrophobicContact CG-CZ2 3.95Å; P361-W695 HydrophobicContact CB-CH2 3.67Å; P361-W695 HydrophobicContact CB-CZ2 4.45Å; P361-W695 HydrophobicContact CG-CH2 4.09Å; F362-W695 HydrophobicContact CD2-CH2 4.37Å; F362-W695 HydrophobicContact CE2-CE3 4.05Å; F362-W695 AromaticContact CE2-CH2 3.44Å; F362-W695 HydrophobicContact CE2-CH2 3.44Å; F362-W695 VanDerWaalsContact CE2-CH2 3.44Å; F362-W695 AromaticContact CE2-CZ2 3.98Å; F362-W695 HydrophobicContact CE2-CZ2 3.98Å; F362-W695 AromaticContact CE2-CZ3 3.48Å; F362-W695 HydrophobicContact CE2-CZ3 3.48Å; F362-W695 VanDerWaalsContact CE2-CZ3 3.48Å; F362-W695 HydrophobicContact CZ-CD2 4.24Å; F362-W695 HydrophobicContact CZ-CE3 4.19Å; F362-W695 AromaticContact CZ-CH2 3.8Å; F362-W695 HydrophobicContact CZ-CH2 3.8Å; F362-W695 AromaticContact CZ-CZ2 3.83Å; F362-W695 HydrophobicContact CZ-CZ2 3.83Å; F362-W695 AromaticContact CZ-CZ3 3.98Å; F362-W695 HydrophobicContact CZ-CZ3 3.98Å; G527-W695 PolarHBondContact O-NE1 3.43Å; W695-H697 PolarHBondContact O-N 3.5Å; W695-H697 VanDerWaalsContact O-N 3.07Å; W695-L711 CarbonylContact O-C 3.43Å; W695-L711 WeakPolarHBondContact O-CA 3.49Å; W695-R712 PolarHBondContact N-O 3.15Å; W695-R712 PolarHBondContact O-N 3.29Å; W695-S739 CarbonylContact C-O 3.59Å; W695-S739 WeakPolarHBondContact CA-O 3.31Å
696	V	97	Very high	93.7	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	104.1	173.2	-178	0	0	0	0	109.7	R698 M699 V709 L735 E738 S739 L741	V696-R698 WeakPolarHBondContact CG1-O 3.29Å; V696-M699 HydrophobicContact CB-CE 4.29Å; V696-M699 HydrophobicContact CG1-CB 4.01Å; V696-M699 HydrophobicContact CG1-CE 3.57Å; V696-M699 HydrophobicContact CG1-CG 4.49Å; V696-M699 HydrophobicContact CG2-CE 4.32Å; V696-V709 HydrophobicContact CB-CG1 4.44Å; V696-V709 HydrophobicContact CG1-CG1 3.99Å; V696-V709 HydrophobicContact CG2-CG1 3.97Å; V696-L735 HydrophobicContact CG2-CD1 3.9Å; V696-L735 HydrophobicContact CG2-CD2 4.37Å; V696-L735 HydrophobicContact CG2-CG 4.31Å; V696-E738 WeakPolarHBondContact O-CA 3.34Å; V696-E738 PolarHBondContact O-N 2.94Å; V696-S739 PolarHBondContact N-O 2.93Å; V696-L741 HydrophobicContact CG2-CD2 3.2Å
697	H	95.6	Very high	93.7	Very high	23 Å²	23	65 Å²	65	11%	0.106	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-44.9	173.8	-176.6	50.9	0	0	0	111.6	W695 V710 R712 Y717 E802	W695-H697 PolarHBondContact O-N 3.5Å; W695-H697 VanDerWaalsContact O-N 3.07Å; H697-V710 PolarHBondContact N-O 3.46Å; H697-R712 HydrophobicContact CB-CB 4.05Å; H697-R712 PolarHBondContact ND1-NH1 2.57Å; H697-R712 VanDerWaalsContact ND1-NH1 3.12Å; H697-Y717 HydrophobicContact CB-CD1 4.22Å; H697-Y717 HydrophobicContact CB-CE1 4.05Å; H697-Y717 AromaticContact CD2-CD1 3.82Å; H697-Y717 AromaticContact CD2-CE1 3.39Å; H697-Y717 WeakPolarHBondContact CD2-CE1 3.3Å; H697-Y717 AromaticContact CG-CE1 3.61Å; H697-Y717 AromaticContact NE2-CE1 3.94Å; H697-E802 IonicContact NE2-OE1 3.89Å
698	R	93.8	Very high	93.8	Very high	135 Å²	135	59 Å²	59	51%	0.509	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.9	175.4	-62	-176.3	-173.8	150.5	12.3	110.3	V696 V710 E802	V696-R698 WeakPolarHBondContact CG1-O 3.29Å; R698-V710 HydrophobicContact CB-CB 4.15Å; R698-V710 HydrophobicContact CB-CG2 4.27Å; R698-V710 PolarHBondContact N-O 3.3Å; R698-V710 PolarHBondContact O-N 3.19Å; R698-E802 IonicContact CZ-OE1 3.85Å; R698-E802 IonicContact NH1-OE1 3.32Å; R698-E802 IonicContact NH2-OE1 3.91Å; R698-E802 PolarHBondContact NH2-OE1 2.84Å
699	M	93	Very high	93.9	Very high	39 Å²	39	53.9 Å²	53.9	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.3	171.5	64.9	171.3	64.1	0	0	111.6	V696 R701 F708 V709 L735 S736 Q737	V696-M699 HydrophobicContact CB-CE 4.29Å; V696-M699 HydrophobicContact CG1-CB 4.01Å; V696-M699 HydrophobicContact CG1-CE 3.57Å; V696-M699 HydrophobicContact CG1-CG 4.49Å; V696-M699 HydrophobicContact CG2-CE 4.32Å; M699-R701 PolarHBondContact SD-NH1 3.49Å; M699-R701 VanDerWaalsContact SD-NH1 3.41Å; M699-F708 CarbonylContact C-O 3.54Å; M699-F708 VanDerWaalsContact CA-O 3.25Å; M699-F708 WeakPolarHBondContact CA-O 3.3Å; M699-V709 HydrophobicContact CB-CG2 4.48Å; M699-L735 HydrophobicContact CE-CB 4.46Å; M699-L735 HydrophobicContact CE-CD2 4.06Å; M699-L735 HydrophobicContact CE-CG 3.69Å; M699-S736 WeakPolarHBondContact CE-O 3.29Å; M699-Q737 HydrophobicContact CG-CG 4.13Å
700	R	93.2	Very high	93.9	Very high	157 Å²	157	54.4 Å²	54.4	59%	0.592	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	123.3	172.3	-174.3	179.3	68.1	-173.2	-1.3	110.1	F708	R700-F708 PolarHBondContact N-O 3.4Å; R700-F708 PolarHBondContact O-N 3.3Å
701	R	89.8	Confident	93.9	Very high	111 Å²	111	54.4 Å²	54.4	42%	0.419	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131	171.8	-66.8	-178.5	178.7	83.4	-3.4	109.8	M699 M707 A732 L735	M699-R701 PolarHBondContact SD-NH1 3.49Å; M699-R701 VanDerWaalsContact SD-NH1 3.41Å; R701-M707 HydrophobicContact CG-CB 4.41Å; R701-M707 HydrophobicContact CG-CG 4.04Å; R701-M707 HydrophobicContact CG-SD 4.05Å; R701-A732 PolarHBondContact NE-O 3.11Å; R701-A732 PolarHBondContact NH2-O 2.67Å; R701-L735 PolarHBondContact NH2-O 2.96Å
702	Q	90.3	Very high	93.9	Very high	115 Å²	115	52.3 Å²	52.3	54%	0.537	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	92.9	174.1	-172.3	175.1	-1.7	0	0	108.9	L706 F708	Q702-L706 HydrophobicContact CB-CB 4.4Å; Q702-L706 PolarHBondContact N-O 3.13Å; Q702-F708 HydrophobicContact CB-CE2 4.45Å
703	G	87.7	Confident	93.8	Very high	66 Å²	66	52.5 Å²	52.5	68%	0.68	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	-155.4	-169.7	0	0	0	0	0	112.2
704	K	81.2	Confident	93.6	Very high	177 Å²	177	50.3 Å²	50.3	77%	0.77	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.7	-179.3	-62.5	-173.6	178.7	-175.5	0	114.2	C727	K704-C727 WeakPolarHBondContact O-CB 3.49Å
705	Q	89.5	Confident	93.4	Very high	108 Å²	108	51.3 Å²	51.3	51%	0.505	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-9.4	-168.9	-62.3	-60.1	-22.7	0	0	113.6	S723 G724 Q728	Q705-S723 CarbonylContact O-C 3.56Å; Q705-S723 VanDerWaalsContact O-CA 3.26Å; Q705-S723 WeakPolarHBondContact O-CA 3.38Å; Q705-G724 PolarHBondContact O-N 3.27Å; Q705-Q728 VanDerWaalsContact OE1-NE2 3.09Å
706	L	93.2	Very high	93.2	Very high	48 Å²	48	52 Å²	52	25%	0.251	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	129.5	-173.4	-168.1	63.9	0	0	0	110.7	Q702 F708 I721	Q702-L706 HydrophobicContact CB-CB 4.4Å; Q702-L706 PolarHBondContact N-O 3.13Å; L706-F708 HydrophobicContact CD2-CE2 3.58Å; L706-F708 HydrophobicContact CD2-CZ 3.57Å; L706-F708 HydrophobicContact CG-CD2 4.46Å; L706-F708 HydrophobicContact CG-CE2 3.76Å; L706-F708 HydrophobicContact CG-CZ 3.98Å; L706-I721 HydrophobicContact CD1-CG2 3.71Å
707	M	93.4	Very high	93.1	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	127	177.9	-179.8	168.5	71.4	0	0	108.9	R701 V709 I722 L735 W767	R701-M707 HydrophobicContact CG-CB 4.41Å; R701-M707 HydrophobicContact CG-CG 4.04Å; R701-M707 HydrophobicContact CG-SD 4.05Å; M707-V709 HydrophobicContact CE-CG2 4.24Å; M707-V709 HydrophobicContact CG-CG2 4.04Å; M707-V709 HydrophobicContact SD-CG2 4.46Å; M707-I722 HydrophobicContact CB-CB 4.29Å; M707-I722 HydrophobicContact CE-CB 4.2Å; M707-I722 HydrophobicContact CE-CD1 3.48Å; M707-I722 VanDerWaalsContact CE-CD1 3.48Å; M707-I722 HydrophobicContact CE-CG1 4.42Å; M707-I722 HydrophobicContact CE-CG2 4.16Å; M707-I722 PolarHBondContact N-O 2.97Å; M707-I722 PolarHBondContact O-N 3.08Å; M707-L735 HydrophobicContact CE-CD2 3.71Å; M707-L735 HydrophobicContact SD-CD2 4.05Å; M707-W767 HydrophobicContact CE-CH2 4.23Å; M707-W767 HydrophobicContact CE-CZ2 3.84Å
708	F	95.3	Very high	93.2	Very high	37 Å²	37	53.1 Å²	53.1	16%	0.162	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.6	173.7	-61	-90.3	0	0	0	108.3	M699 R700 Q702 L706 I721	M699-F708 CarbonylContact C-O 3.54Å; M699-F708 VanDerWaalsContact CA-O 3.25Å; M699-F708 WeakPolarHBondContact CA-O 3.3Å; R700-F708 PolarHBondContact N-O 3.4Å; R700-F708 PolarHBondContact O-N 3.3Å; Q702-F708 HydrophobicContact CB-CE2 4.45Å; L706-F708 HydrophobicContact CD2-CE2 3.58Å; L706-F708 HydrophobicContact CD2-CZ 3.57Å; L706-F708 HydrophobicContact CG-CD2 4.46Å; L706-F708 HydrophobicContact CG-CE2 3.76Å; L706-F708 HydrophobicContact CG-CZ 3.98Å; F708-I721 HydrophobicContact CD1-CG1 4.13Å; F708-I721 HydrophobicContact CE1-CD1 4.34Å; F708-I721 HydrophobicContact CE1-CG1 4.15Å
709	V	96.1	Very high	93.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.6	177.7	176	0	0	0	0	108.2	V696 M699 M707 C720 I722 L735	V696-V709 HydrophobicContact CB-CG1 4.44Å; V696-V709 HydrophobicContact CG1-CG1 3.99Å; V696-V709 HydrophobicContact CG2-CG1 3.97Å; M699-V709 HydrophobicContact CB-CG2 4.48Å; M707-V709 HydrophobicContact CE-CG2 4.24Å; M707-V709 HydrophobicContact CG-CG2 4.04Å; M707-V709 HydrophobicContact SD-CG2 4.46Å; V709-C720 HydrophobicContact CB-CB 4.3Å; V709-C720 PolarHBondContact N-O 2.89Å; V709-C720 PolarHBondContact O-N 2.57Å; V709-I722 HydrophobicContact CG2-CD1 3.93Å; V709-L735 HydrophobicContact CG2-CD2 4.15Å
710	V	96.8	Very high	93.6	Very high	28 Å²	28	46.8 Å²	46.8	17%	0.17	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.4	167.1	-178.1	0	0	0	0	107.1	H697 R698 Y717 L718	H697-V710 PolarHBondContact N-O 3.46Å; R698-V710 HydrophobicContact CB-CB 4.15Å; R698-V710 HydrophobicContact CB-CG2 4.27Å; R698-V710 PolarHBondContact N-O 3.3Å; R698-V710 PolarHBondContact O-N 3.19Å; V710-Y717 HydrophobicContact CG1-CD1 4.08Å; V710-Y717 HydrophobicContact CG1-CG 4.49Å; V710-L718 WeakPolarHBondContact CA-O 3.4Å
711	L	97	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	145.7	179	-157.1	71.6	0	0	0	110.1	I679 V692 W695 Y717 L718 L741 V743	I679-L711 HydrophobicContact CD1-CB 4.36Å; I679-L711 WeakPolarHBondContact CD1-O 3.29Å; V692-L711 HydrophobicContact CB-CD2 4.37Å; V692-L711 HydrophobicContact CG1-CD2 3.87Å; W695-L711 CarbonylContact O-C 3.43Å; W695-L711 WeakPolarHBondContact O-CA 3.49Å; L711-Y717 CarbonylContact O-C 3.5Å; L711-Y717 VanDerWaalsContact O-CA 3.24Å; L711-Y717 WeakPolarHBondContact O-CA 3.45Å; L711-L718 PolarHBondContact N-O 2.57Å; L711-L718 PolarHBondContact O-N 3.15Å; L711-L741 HydrophobicContact CD1-CD1 4.25Å; L711-L741 HydrophobicContact CD1-CD2 3.84Å; L711-L741 HydrophobicContact CD1-CG 3.91Å; L711-V743 HydrophobicContact CD2-CG2 4.12Å
712	R	97.1	Very high	93.9	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.6	173.8	178.7	-175.1	75.6	-122.5	-9.5	108.8	P327 G694 W695 H697 Y717 E738 R800	P327-R712 PolarHBondContact O-NE 3.41Å; P327-R712 PolarHBondContact O-NH2 2.98Å; G694-R712 CarbonylContact C-O 3.5Å; G694-R712 VanDerWaalsContact CA-O 3.28Å; G694-R712 WeakPolarHBondContact CA-O 3.22Å; W695-R712 PolarHBondContact N-O 3.15Å; W695-R712 PolarHBondContact O-N 3.29Å; H697-R712 HydrophobicContact CB-CB 4.05Å; H697-R712 PolarHBondContact ND1-NH1 2.57Å; H697-R712 VanDerWaalsContact ND1-NH1 3.12Å; R712-Y717 HydrophobicContact CB-CD1 3.94Å; R712-Y717 HydrophobicContact CB-CE1 3.82Å; R712-Y717 HydrophobicContact CG-CD1 4.24Å; R712-Y717 HydrophobicContact CG-CE1 3.75Å; R712-E738 IonicContact CZ-OE1 3.16Å; R712-E738 IonicContact CZ-OE2 3.51Å; R712-E738 IonicContact NH1-OE1 2.76Å; R712-E738 PolarHBondContact NH1-OE1 3.16Å; R712-E738 IonicContact NH1-OE2 3.58Å; R712-E738 IonicContact NH2-OE1 3.34Å; R712-E738 PolarHBondContact NH2-OE1 3.44Å; R712-E738 IonicContact NH2-OE2 3.96Å; R712-E738 PolarHBondContact NH2-OE2 3.31Å; R712-R800 PolarHBondContact NH1-O 2.84Å; R712-R800 VanDerWaalsContact NH1-O 3.1Å
713	D	96.4	Very high	94.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	19%	0.185	C	C	.	.			trans	-130.1	11	176.2	75.5	-13.6	0	0	0	112.9	G330 K678 I679 F693 T715 G716	G330-D713 WeakPolarHBondContact CA-O 3.43Å; K678-D713 WeakPolarHBondContact CA-OD2 3.49Å; I679-D713 HydrophobicContact CD1-CB 3.91Å; I679-D713 HydrophobicContact CG1-CB 4.23Å; I679-D713 PolarHBondContact N-OD2 2.87Å; F693-D713 WeakPolarHBondContact O-CB 3.37Å; D713-T715 VanDerWaalsContact C-N 3.27Å; D713-T715 VanDerWaalsContact CG-OG1 3.26Å; D713-T715 PolarHBondContact O-N 3.36Å; D713-T715 WeakPolarHBondContact OD1-CA 3.28Å; D713-T715 WeakPolarHBondContact OD1-CB 3.38Å; D713-T715 PolarHBondContact OD1-N 3.47Å; D713-T715 PolarHBondContact OD1-OG1 2.88Å; D713-T715 PolarHBondContact OD2-OG1 2.94Å; D713-T715 VanDerWaalsContact OD2-OG1 3.1Å; D713-G716 PolarHBondContact OD1-N 3.3Å
714	G	94.4	Very high	94.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	88.1	-28.3	-171.8	0	0	0	0	0	114.3	L329 K809	L329-G714 VanDerWaalsContact C-CA 3.48Å; G714-K809 WeakPolarHBondContact O-CE 3.33Å; G714-K809 PolarHBondContact O-NZ 3.29Å
715	T	93.6	Very high	94.4	Very high	21 Å²	21	30.7 Å²	30.7	13%	0.129	16%	0.163	C	C	.	.	S	Bend	trans	-87.4	-19.9	179.9	77.9	0	0	0	0	113.4	K678 I679 R680 D713	K678-T715 HydrophobicContact CB-CG2 4.19Å; K678-T715 HydrophobicContact CD-CG2 4.34Å; K678-T715 HydrophobicContact CG-CG2 4.44Å; I679-T715 PolarHBondContact N-OG1 3.17Å; R680-T715 HydrophobicContact CG-CG2 4.48Å; R680-T715 PolarHBondContact N-OG1 3.47Å; D713-T715 VanDerWaalsContact C-N 3.27Å; D713-T715 VanDerWaalsContact CG-OG1 3.26Å; D713-T715 PolarHBondContact O-N 3.36Å; D713-T715 WeakPolarHBondContact OD1-CA 3.28Å; D713-T715 WeakPolarHBondContact OD1-CB 3.38Å; D713-T715 PolarHBondContact OD1-N 3.47Å; D713-T715 PolarHBondContact OD1-OG1 2.88Å; D713-T715 PolarHBondContact OD2-OG1 2.94Å; D713-T715 VanDerWaalsContact OD2-OG1 3.1Å
716	G	93.2	Very high	94.5	Very high	17 Å²	17	26.4 Å²	26.4	18%	0.175	14%	0.143	C	C	.	.			trans	177	-161.8	174.4	0	0	0	0	0	112.8	D713	D713-G716 PolarHBondContact OD1-N 3.3Å
717	Y	95.6	Very high	94.2	Very high	46 Å²	46	25 Å²	25	18%	0.18	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.1	171.9	-62.2	-85.3	0	0	0	109.7	I679 H697 V710 L711 R712 P757 E802	I679-Y717 WeakPolarHBondContact CG2-O 3.28Å; H697-Y717 HydrophobicContact CB-CD1 4.22Å; H697-Y717 HydrophobicContact CB-CE1 4.05Å; H697-Y717 AromaticContact CD2-CD1 3.82Å; H697-Y717 AromaticContact CD2-CE1 3.39Å; H697-Y717 WeakPolarHBondContact CD2-CE1 3.3Å; H697-Y717 AromaticContact CG-CE1 3.61Å; H697-Y717 AromaticContact NE2-CE1 3.94Å; V710-Y717 HydrophobicContact CG1-CD1 4.08Å; V710-Y717 HydrophobicContact CG1-CG 4.49Å; L711-Y717 CarbonylContact O-C 3.5Å; L711-Y717 VanDerWaalsContact O-CA 3.24Å; L711-Y717 WeakPolarHBondContact O-CA 3.45Å; R712-Y717 HydrophobicContact CB-CD1 3.94Å; R712-Y717 HydrophobicContact CB-CE1 3.82Å; R712-Y717 HydrophobicContact CG-CD1 4.24Å; R712-Y717 HydrophobicContact CG-CE1 3.75Å; Y717-P757 WeakPolarHBondContact O-CB 3.37Å; Y717-E802 HydrophobicContact CE2-CG 4.48Å
718	L	96.9	Very high	93.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.1	178.7	-179.5	63.3	0	0	0	110.9	I679 A682 V692 V710 L711 L747 L762	I679-L718 HydrophobicContact CD1-CB 4.03Å; I679-L718 HydrophobicContact CG1-CB 4.03Å; I679-L718 HydrophobicContact CG2-CB 3.94Å; A682-L718 HydrophobicContact CB-CD1 4.4Å; V692-L718 HydrophobicContact CB-CD2 4.5Å; V692-L718 HydrophobicContact CG1-CD2 4.31Å; V692-L718 HydrophobicContact CG2-CD2 4.07Å; V710-L718 WeakPolarHBondContact CA-O 3.4Å; L711-L718 PolarHBondContact N-O 2.57Å; L711-L718 PolarHBondContact O-N 3.15Å; L718-L747 HydrophobicContact CD1-CD2 4.09Å; L718-L762 HydrophobicContact CD2-CB 4.25Å; L718-L762 HydrophobicContact CD2-CD2 4.41Å
719	Q	97.5	Very high	93.2	Very high	41 Å²	41	27.8 Å²	27.8	19%	0.192	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126	171.8	178.9	166	-79.3	0	0	110.4	A756 E761 L762	Q719-A756 HydrophobicContact CB-CB 4Å; Q719-E761 HydrophobicContact CB-CB 4.29Å; Q719-E761 HydrophobicContact CG-CB 4.35Å; Q719-E761 PolarHBondContact NE2-OE2 3.02Å; Q719-E761 CarbonylContact O-C 3.54Å; Q719-E761 WeakPolarHBondContact O-CA 3.49Å; Q719-L762 PolarHBondContact O-N 3.04Å
720	C	97	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129	177.4	-55.1	0	0	0	0	109.5	V709 L762 V764	V709-C720 HydrophobicContact CB-CB 4.3Å; V709-C720 PolarHBondContact N-O 2.89Å; V709-C720 PolarHBondContact O-N 2.57Å; C720-L762 WeakPolarHBondContact CA-O 3.45Å; C720-V764 HydrophobicContact CB-CG2 3.88Å
721	I	96	Very high	92.1	Very high	34 Å²	34	32 Å²	32	17%	0.174	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111	177.4	-57	178.7	0	0	0	108.3	L706 F708 E761 L762 V764	L706-I721 HydrophobicContact CD1-CG2 3.71Å; F708-I721 HydrophobicContact CD1-CG1 4.13Å; F708-I721 HydrophobicContact CE1-CD1 4.34Å; F708-I721 HydrophobicContact CE1-CG1 4.15Å; I721-E761 VanDerWaalsContact CD1-CD 3.44Å; I721-E761 HydrophobicContact CD1-CG 4.26Å; I721-E761 WeakPolarHBondContact CD1-OE1 3.37Å; I721-E761 WeakPolarHBondContact CD1-OE2 3.44Å; I721-L762 PolarHBondContact N-O 3.21Å; I721-V764 WeakPolarHBondContact O-CB 3.34Å; I721-V764 PolarHBondContact O-N 3.25Å
722	I	94.5	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.9	176.5	-59.5	168.2	0	0	0	107.1	M707 V709 L726 C727 V764 W767	M707-I722 HydrophobicContact CB-CB 4.29Å; M707-I722 HydrophobicContact CE-CB 4.2Å; M707-I722 HydrophobicContact CE-CD1 3.48Å; M707-I722 VanDerWaalsContact CE-CD1 3.48Å; M707-I722 HydrophobicContact CE-CG1 4.42Å; M707-I722 HydrophobicContact CE-CG2 4.16Å; M707-I722 PolarHBondContact N-O 2.97Å; M707-I722 PolarHBondContact O-N 3.08Å; V709-I722 HydrophobicContact CG2-CD1 3.93Å; I722-L726 HydrophobicContact CG2-CB 3.45Å; I722-L726 VanDerWaalsContact CG2-CB 3.45Å; I722-L726 HydrophobicContact CG2-CD1 4.48Å; I722-C727 VanDerWaalsContact C-SG 3.54Å; I722-C727 PolarHBondContact O-SG 2.64Å; I722-V764 HydrophobicContact CG1-CB 3.79Å; I722-V764 HydrophobicContact CG1-CG1 4.01Å; I722-V764 HydrophobicContact CG1-CG2 3.72Å; I722-W767 HydrophobicContact CD1-CD2 4.22Å; I722-W767 HydrophobicContact CD1-CG 4.29Å
723	S	93.2	Very high	90.9	Very high	63 Å²	63	37.9 Å²	37.9	44%	0.441	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	160.6	-174.1	69.8	0	0	0	0	113.7	Q705 L726	Q705-S723 CarbonylContact O-C 3.56Å; Q705-S723 VanDerWaalsContact O-CA 3.26Å; Q705-S723 WeakPolarHBondContact O-CA 3.38Å; S723-L726 WeakPolarHBondContact O-CB 3.44Å; S723-L726 PolarHBondContact O-N 2.98Å
724	G	90	Very high	90.3	Very high	25 Å²	25	41.3 Å²	41.3	26%	0.258	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	66.2	-131.9	173.8	0	0	0	0	0	113.6	Q705 L726 C727 Q728	Q705-G724 PolarHBondContact O-N 3.27Å; G724-L726 PolarHBondContact O-N 3.23Å; G724-C727 PolarHBondContact O-N 2.98Å; G724-Q728 PolarHBondContact O-NE2 2.84Å
725	K	86.5	Confident	90.2	Very high	166 Å²	166	41.5 Å²	41.5	72%	0.722	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-62.7	-27.1	-178.7	-68.9	-176.8	178.9	179.3	0	112.8	C727 Q728	K725-C727 PolarHBondContact O-N 2.84Å; K725-Q728 PolarHBondContact O-N 3.21Å
726	L	90.4	Very high	90.1	Very high	18 Å²	18	41 Å²	41	9%	0.094	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.3	-19.4	179.5	-58.3	177.9	0	0	0	113.2	V665 I722 S723 G724 Q728 A732 V764 D765 W767	V665-L726 HydrophobicContact CB-CD2 4.48Å; V665-L726 HydrophobicContact CG1-CD2 3.69Å; V665-L726 HydrophobicContact CG2-CD2 4.44Å; I722-L726 HydrophobicContact CG2-CB 3.45Å; I722-L726 VanDerWaalsContact CG2-CB 3.45Å; I722-L726 HydrophobicContact CG2-CD1 4.48Å; S723-L726 WeakPolarHBondContact O-CB 3.44Å; S723-L726 PolarHBondContact O-N 2.98Å; G724-L726 PolarHBondContact O-N 3.23Å; L726-Q728 VanDerWaalsContact C-N 3.34Å; L726-A732 WeakPolarHBondContact O-CB 3.42Å; L726-V764 HydrophobicContact CD1-CG1 4.3Å; L726-V764 WeakPolarHBondContact CD1-O 3.43Å; L726-D765 WeakPolarHBondContact CD1-O 3.49Å; L726-W767 PolarHBondContact O-NE1 2.84Å; L726-W767 VanDerWaalsContact O-NE1 3.12Å
727	C	87	Confident	90.1	Very high	17 Å²	17	42.3 Å²	42.3	12%	0.115	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-86.8	-2.9	174.8	-66.5	0	0	0	0	113.6	K704 I722 G724 K725 A732	K704-C727 WeakPolarHBondContact O-CB 3.49Å; I722-C727 VanDerWaalsContact C-SG 3.54Å; I722-C727 PolarHBondContact O-SG 2.64Å; G724-C727 PolarHBondContact O-N 2.98Å; K725-C727 PolarHBondContact O-N 2.84Å; C727-A732 WeakPolarHBondContact O-CB 3.46Å
728	Q	82.6	Confident	90.1	Very high	84 Å²	84	40.5 Å²	40.5	39%	0.393	21%	0.207	S	C	.	.	S	Bend	trans	-118	2.1	-170.1	-58.2	170.3	26.6	0	0	112.7	Q705 G724 K725 L726	Q705-Q728 VanDerWaalsContact OE1-NE2 3.09Å; G724-Q728 PolarHBondContact O-NE2 2.84Å; K725-Q728 PolarHBondContact O-N 3.21Å; L726-Q728 VanDerWaalsContact C-N 3.34Å
729	T	85.7	Confident	90	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.092	21%	0.207	C	C	.	.	S	Bend	trans	-71	162.9	175.5	63.7	0	0	0	0	110.9	V665 D731 A732 I733	V665-T729 HydrophobicContact CB-CG2 4.25Å; V665-T729 HydrophobicContact CG2-CG2 3.48Å; V665-T729 VanDerWaalsContact CG2-CG2 3.48Å; T729-D731 VanDerWaalsContact C-N 3.29Å; T729-D731 PolarHBondContact O-N 3.45Å; T729-A732 WeakPolarHBondContact O-CB 3.22Å; T729-A732 PolarHBondContact O-N 3.49Å; T729-A732 VanDerWaalsContact O-N 3.1Å; T729-A732 WeakPolarHBondContact OG1-CB 3.08Å; T729-A732 PolarHBondContact OG1-N 2.8Å; T729-I733 WeakPolarHBondContact O-CG1 3.33Å; T729-I733 PolarHBondContact O-N 3.01Å; T729-I733 VanDerWaalsContact O-N 3.14Å
730	Y	83.2	Confident	90	Very high	91 Å²	91	38.5 Å²	38.5	36%	0.357	20%	0.198	S	C	.	.	H	α-helix	trans	-55.5	-47.8	172.4	178.1	-95.9	0	0	0	111.2	K661 A732 I733 M734	K661-Y730 HydrophobicContact CD-CD1 4.18Å; K661-Y730 HydrophobicContact CG-CD1 4.29Å; K661-Y730 HydrophobicContact CG-CG 4.29Å; Y730-A732 VanDerWaalsContact C-N 3.27Å; Y730-A732 PolarHBondContact O-N 2.77Å; Y730-I733 WeakPolarHBondContact O-CB 3.37Å; Y730-I733 PolarHBondContact O-N 3.28Å; Y730-M734 HydrophobicContact CD1-CG 3.97Å; Y730-M734 HydrophobicContact CD2-CG 4.37Å; Y730-M734 HydrophobicContact CE1-CG 3.51Å; Y730-M734 HydrophobicContact CE2-CG 3.94Å; Y730-M734 HydrophobicContact CE2-SD 4.27Å; Y730-M734 HydrophobicContact CG-CG 4.39Å; Y730-M734 VanDerWaalsContact CZ-CG 3.49Å; Y730-M734 WeakPolarHBondContact O-CG 3.32Å; Y730-M734 PolarHBondContact O-N 2.97Å
731	D	86.2	Confident	90	Very high	27 Å²	27	38.5 Å²	38.5	14%	0.144	20%	0.198	C	C	.	.	H	α-helix	trans	-54.9	-43	174.4	-71.3	18.8	0	0	0	111.2	T729 I733 M734 L735 W767 I769	T729-D731 VanDerWaalsContact C-N 3.29Å; T729-D731 PolarHBondContact O-N 3.45Å; D731-I733 VanDerWaalsContact C-N 3.25Å; D731-I733 PolarHBondContact O-N 3.46Å; D731-M734 PolarHBondContact O-N 3Å; D731-L735 WeakPolarHBondContact O-CB 3.36Å; D731-L735 PolarHBondContact O-N 2.69Å; D731-W767 VanDerWaalsContact C-CH2 3.5Å; D731-W767 HydrophobicContact CB-CH2 3.9Å; D731-W767 HydrophobicContact CB-CZ2 4.41Å; D731-W767 HydrophobicContact CB-CZ3 4.19Å; D731-I769 HydrophobicContact CB-CD1 3.96Å; D731-I769 HydrophobicContact CB-CG1 4.01Å; D731-I769 WeakPolarHBondContact O-CD1 3.34Å; D731-I769 PolarHBondContact OD2-N 3.37Å
732	A	85.7	Confident	90.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-30.7	177.1	0	0	0	0	0	113.8	R701 L726 C727 T729 Y730 W767	R701-A732 PolarHBondContact NE-O 3.11Å; R701-A732 PolarHBondContact NH2-O 2.67Å; L726-A732 WeakPolarHBondContact O-CB 3.42Å; C727-A732 WeakPolarHBondContact O-CB 3.46Å; T729-A732 WeakPolarHBondContact O-CB 3.22Å; T729-A732 PolarHBondContact O-N 3.49Å; T729-A732 VanDerWaalsContact O-N 3.1Å; T729-A732 WeakPolarHBondContact OG1-CB 3.08Å; T729-A732 PolarHBondContact OG1-N 2.8Å; Y730-A732 VanDerWaalsContact C-N 3.27Å; Y730-A732 PolarHBondContact O-N 2.77Å; A732-W767 HydrophobicContact CB-CH2 4.34Å; A732-W767 HydrophobicContact CB-CZ2 3.73Å
733	I	82.8	Confident	90.1	Very high	123 Å²	123	38.1 Å²	38.1	63%	0.631	20%	0.195	S	C	*	.	H	α-helix	trans	-78.9	-41.1	177.5	-64.4	167.5	0	0	0	110.2	T729 Y730 D731	T729-I733 WeakPolarHBondContact O-CG1 3.33Å; T729-I733 PolarHBondContact O-N 3.01Å; T729-I733 VanDerWaalsContact O-N 3.14Å; Y730-I733 WeakPolarHBondContact O-CB 3.37Å; Y730-I733 PolarHBondContact O-N 3.28Å; D731-I733 VanDerWaalsContact C-N 3.25Å; D731-I733 PolarHBondContact O-N 3.46Å
734	M	85.4	Confident	90.3	Very high	76 Å²	76	35.1 Å²	35.1	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-78.9	-20.3	-177.7	-64.8	-59.5	-71.3	0	0	113.9	Y730 D731 S736	Y730-M734 HydrophobicContact CD1-CG 3.97Å; Y730-M734 HydrophobicContact CD2-CG 4.37Å; Y730-M734 HydrophobicContact CE1-CG 3.51Å; Y730-M734 HydrophobicContact CE2-CG 3.94Å; Y730-M734 HydrophobicContact CE2-SD 4.27Å; Y730-M734 HydrophobicContact CG-CG 4.39Å; Y730-M734 VanDerWaalsContact CZ-CG 3.49Å; Y730-M734 WeakPolarHBondContact O-CG 3.32Å; Y730-M734 PolarHBondContact O-N 2.97Å; D731-M734 PolarHBondContact O-N 3Å; M734-S736 PolarHBondContact O-N 3.26Å
735	L	90.5	Very high	90.6	Very high	5 Å²	5	34 Å²	34	3%	0.026	16%	0.162	C	C	.	.			trans	-57	121.7	-175.2	-171.3	69	0	0	0	112.1	V696 M699 R701 M707 V709 D731 L741 W767 I769	V696-L735 HydrophobicContact CG2-CD1 3.9Å; V696-L735 HydrophobicContact CG2-CD2 4.37Å; V696-L735 HydrophobicContact CG2-CG 4.31Å; M699-L735 HydrophobicContact CE-CB 4.46Å; M699-L735 HydrophobicContact CE-CD2 4.06Å; M699-L735 HydrophobicContact CE-CG 3.69Å; R701-L735 PolarHBondContact NH2-O 2.96Å; M707-L735 HydrophobicContact CE-CD2 3.71Å; M707-L735 HydrophobicContact SD-CD2 4.05Å; V709-L735 HydrophobicContact CG2-CD2 4.15Å; D731-L735 WeakPolarHBondContact O-CB 3.36Å; D731-L735 PolarHBondContact O-N 2.69Å; L735-L741 HydrophobicContact CD1-CD2 4.06Å; L735-W767 HydrophobicContact CB-CH2 4.07Å; L735-W767 HydrophobicContact CD1-CH2 4.36Å; L735-W767 HydrophobicContact CD1-CZ3 3.98Å; L735-W767 HydrophobicContact CD2-CH2 3.86Å; L735-W767 HydrophobicContact CD2-CZ3 4Å; L735-W767 HydrophobicContact CG-CH2 4.31Å; L735-W767 HydrophobicContact CG-CZ3 4.38Å; L735-I769 HydrophobicContact CB-CD1 4.09Å; L735-I769 HydrophobicContact CD1-CD1 3.81Å; L735-I769 HydrophobicContact CD1-CG1 3.88Å
736	S	91.8	Very high	91.1	Very high	11 Å²	11	28.6 Å²	28.6	8%	0.077	14%	0.143	C	C	.	.			trans	-120.1	163.2	177.4	63.5	0	0	0	0	111.7	M699 M734 S739 S773	M699-S736 WeakPolarHBondContact CE-O 3.29Å; M734-S736 PolarHBondContact O-N 3.26Å; S736-S739 PolarHBondContact N-OG 2.96Å; S736-S739 VanDerWaalsContact O-CB 3.27Å; S736-S739 WeakPolarHBondContact O-CB 3.25Å; S736-S739 PolarHBondContact O-N 2.59Å; S736-S739 PolarHBondContact O-OG 2.79Å; S736-S739 VanDerWaalsContact O-OG 3.1Å; S736-S739 PolarHBondContact OG-OG 2.84Å; S736-S773 WeakPolarHBondContact CB-O 3.36Å; S736-S773 VanDerWaalsContact OG-C 3.31Å; S736-S773 WeakPolarHBondContact OG-CB 3.45Å; S736-S773 PolarHBondContact OG-O 2.74Å
737	Q	93.2	Very high	91.4	Very high	44 Å²	44	27.7 Å²	27.7	21%	0.206	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	148.2	171.9	-78.4	169.3	-63.5	0	0	110.2	M699 S739 S773	M699-Q737 HydrophobicContact CG-CG 4.13Å; Q737-S739 PolarHBondContact O-N 3.47Å; Q737-S773 VanDerWaalsContact O-CB 3.23Å; Q737-S773 WeakPolarHBondContact O-CB 3.38Å; Q737-S773 PolarHBondContact O-OG 2.87Å
738	E	95.5	Very high	91.7	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-0.7	-173	-60.5	-68.6	134.5	0	0	115.6	G527 V696 R712 I778 R800	G527-E738 WeakPolarHBondContact CA-O 3.21Å; G527-E738 PolarHBondContact N-O 3.21Å; V696-E738 WeakPolarHBondContact O-CA 3.34Å; V696-E738 PolarHBondContact O-N 2.94Å; R712-E738 IonicContact CZ-OE1 3.16Å; R712-E738 IonicContact CZ-OE2 3.51Å; R712-E738 IonicContact NH1-OE1 2.76Å; R712-E738 PolarHBondContact NH1-OE1 3.16Å; R712-E738 IonicContact NH1-OE2 3.58Å; R712-E738 IonicContact NH2-OE1 3.34Å; R712-E738 PolarHBondContact NH2-OE1 3.44Å; R712-E738 IonicContact NH2-OE2 3.96Å; R712-E738 PolarHBondContact NH2-OE2 3.31Å; E738-I778 HydrophobicContact CG-CD1 3.71Å; E738-I778 HydrophobicContact CG-CG1 3.9Å; E738-R800 WeakPolarHBondContact OE2-CD 3.16Å; E738-R800 IonicContact OE2-CZ 3.23Å; E738-R800 IonicContact OE2-NE 3.14Å; E738-R800 IonicContact OE2-NH1 2.71Å; E738-R800 PolarHBondContact OE2-NH1 3.08Å
739	S	96.1	Very high	92.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.			trans	-58.8	141.9	167.8	-68.7	0	0	0	0	110.3	W695 V696 S736 Q737 G771 S773	W695-S739 CarbonylContact C-O 3.59Å; W695-S739 WeakPolarHBondContact CA-O 3.31Å; V696-S739 PolarHBondContact N-O 2.93Å; S736-S739 PolarHBondContact N-OG 2.96Å; S736-S739 VanDerWaalsContact O-CB 3.27Å; S736-S739 WeakPolarHBondContact O-CB 3.25Å; S736-S739 PolarHBondContact O-N 2.59Å; S736-S739 PolarHBondContact O-OG 2.79Å; S736-S739 VanDerWaalsContact O-OG 3.1Å; S736-S739 PolarHBondContact OG-OG 2.84Å; Q737-S739 PolarHBondContact O-N 3.47Å; S739-G771 CarbonylContact C-O 3.58Å; S739-G771 WeakPolarHBondContact CA-O 3.45Å; S739-S773 PolarHBondContact OG-N 3.48Å
740	S	97.6	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.1	172.1	71.7	0	0	0	0	110.2	G527 S528 G694 I770 G771	G527-S740 WeakPolarHBondContact O-CB 3.2Å; S528-S740 WeakPolarHBondContact O-CB 3.34Å; S528-S740 PolarHBondContact O-OG 3.15Å; G694-S740 CarbonylContact O-C 3.53Å; G694-S740 VanDerWaalsContact O-CA 3.3Å; G694-S740 WeakPolarHBondContact O-CA 3.3Å; S740-I770 PolarHBondContact O-N 2.93Å; S740-I770 WeakPolarHBondContact OG-CB 3.21Å; S740-G771 PolarHBondContact N-O 3.1Å; S740-G771 PolarHBondContact O-N 2.86Å; S740-G771 WeakPolarHBondContact OG-CA 3.44Å; S740-G771 PolarHBondContact OG-N 3.15Å
741	L	96.6	Very high	92.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	172.4	-179.3	63.2	131.8	0	0	0	111.4	F693 G694 V696 L711 L735 V743 W767 K768	F693-L741 WeakPolarHBondContact CA-O 3.06Å; G694-L741 PolarHBondContact N-O 2.93Å; G694-L741 PolarHBondContact O-N 3.19Å; V696-L741 HydrophobicContact CG2-CD2 3.2Å; L711-L741 HydrophobicContact CD1-CD1 4.25Å; L711-L741 HydrophobicContact CD1-CD2 3.84Å; L711-L741 HydrophobicContact CD1-CG 3.91Å; L735-L741 HydrophobicContact CD1-CD2 4.06Å; L741-V743 HydrophobicContact CD1-CG1 3.38Å; L741-W767 HydrophobicContact CD1-CE3 4.03Å; L741-K768 WeakPolarHBondContact CA-O 3.42Å; L741-K768 VanDerWaalsContact CB-O 3.23Å; L741-K768 WeakPolarHBondContact CB-O 3.47Å
742	F	96.7	Very high	92.6	Very high	27 Å²	27	39.4 Å²	39.4	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.7	157	69.9	-97.7	0	0	0	110.7	K691 V692 F693 I744 F766 W767 K768 I770	K691-F742 HydrophobicContact CD-CD2 4.38Å; K691-F742 VanDerWaalsContact CE-CD2 3.44Å; K691-F742 HydrophobicContact CG-CD2 4.42Å; V692-F742 CarbonylContact O-C 3.58Å; V692-F742 VanDerWaalsContact O-CA 3.26Å; V692-F742 WeakPolarHBondContact O-CA 3.5Å; F693-F742 HydrophobicContact CD1-CB 3.56Å; F693-F742 HydrophobicContact CD1-CG 4.49Å; F693-F742 HydrophobicContact CE1-CB 3.66Å; F693-F742 HydrophobicContact CE1-CD1 4.07Å; F693-F742 HydrophobicContact CE1-CG 4.15Å; F693-F742 HydrophobicContact CG-CB 4.12Å; F693-F742 HydrophobicContact CZ-CB 4.31Å; F742-I744 HydrophobicContact CD2-CD1 4.33Å; F742-I744 HydrophobicContact CD2-CG1 4.01Å; F742-I744 HydrophobicContact CE2-CD1 4.03Å; F742-I744 HydrophobicContact CE2-CG1 4.15Å; F742-F766 AromaticContact CE2-CD1 3.89Å; F742-F766 HydrophobicContact CE2-CD1 3.89Å; F742-F766 AromaticContact CE2-CE1 3.6Å; F742-F766 HydrophobicContact CE2-CE1 3.6Å; F742-F766 AromaticContact CZ-CE1 3.85Å; F742-F766 HydrophobicContact CZ-CE1 3.85Å; F742-W767 VanDerWaalsContact O-CA 3.27Å; F742-W767 WeakPolarHBondContact O-CA 3.23Å; F742-W767 WeakPolarHBondContact O-CB 3.27Å; F742-K768 HydrophobicContact CD1-CB 4.31Å; F742-K768 HydrophobicContact CE1-CB 3.61Å; F742-K768 HydrophobicContact CE1-CD 4.14Å; F742-K768 HydrophobicContact CE1-CG 4.35Å; F742-K768 HydrophobicContact CE2-CB 4.22Å; F742-K768 HydrophobicContact CZ-CB 3.55Å; F742-K768 HydrophobicContact CZ-CD 4.28Å; F742-K768 PolarHBondContact N-O 3.49Å; F742-K768 VanDerWaalsContact N-O 3.13Å; F742-K768 PolarHBondContact O-N 2.94Å; F742-I770 HydrophobicContact CB-CD1 4.49Å; F742-I770 HydrophobicContact CD1-CD1 4.17Å; F742-I770 HydrophobicContact CD1-CG1 4.18Å
743	V	96.4	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.8	171.4	-69.1	0	0	0	0	109.5	K691 V692 L711 L741 L762 V764 W767	K691-V743 CarbonylContact C-O 3.53Å; K691-V743 WeakPolarHBondContact CA-O 3.45Å; V692-V743 HydrophobicContact CB-CG2 3.98Å; V692-V743 PolarHBondContact N-O 3.31Å; V692-V743 PolarHBondContact O-N 3.33Å; L711-V743 HydrophobicContact CD2-CG2 4.12Å; L741-V743 HydrophobicContact CD1-CG1 3.38Å; V743-L762 HydrophobicContact CB-CD2 3.91Å; V743-L762 HydrophobicContact CG2-CD2 3.32Å; V743-V764 HydrophobicContact CB-CG1 4.41Å; V743-V764 HydrophobicContact CB-CG2 4.22Å; V743-V764 HydrophobicContact CG1-CG1 4.46Å; V743-V764 HydrophobicContact CG1-CG2 4.22Å; V743-W767 HydrophobicContact CB-CB 4.39Å; V743-W767 HydrophobicContact CG1-CB 3.93Å
744	I	97.1	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.7	171.7	-47.7	-175.6	0	0	0	107.7	P674 R689 V690 K691 F742 V764 D765 F766	P674-I744 HydrophobicContact CB-CG2 3.6Å; P674-I744 HydrophobicContact CG-CD1 4.16Å; P674-I744 HydrophobicContact CG-CG2 3.8Å; R689-I744 HydrophobicContact CG-CG2 4.27Å; V690-I744 WeakPolarHBondContact O-CA 3.37Å; K691-I744 HydrophobicContact CB-CG1 4.16Å; K691-I744 HydrophobicContact CD-CD1 4.15Å; K691-I744 HydrophobicContact CD-CG1 4.26Å; K691-I744 HydrophobicContact CG-CD1 4.43Å; K691-I744 HydrophobicContact CG-CG1 4Å; F742-I744 HydrophobicContact CD2-CD1 4.33Å; F742-I744 HydrophobicContact CD2-CG1 4.01Å; F742-I744 HydrophobicContact CE2-CD1 4.03Å; F742-I744 HydrophobicContact CE2-CG1 4.15Å; I744-V764 WeakPolarHBondContact O-CA 3.37Å; I744-V764 WeakPolarHBondContact O-CG1 3.46Å; I744-D765 PolarHBondContact O-N 3.33Å; I744-F766 WeakPolarHBondContact CA-O 3.43Å; I744-F766 HydrophobicContact CB-CB 4.24Å; I744-F766 HydrophobicContact CD1-CD1 3.7Å; I744-F766 HydrophobicContact CD1-CE1 4.44Å; I744-F766 HydrophobicContact CG1-CD1 4.15Å; I744-F766 PolarHBondContact N-O 3.2Å; I744-F766 PolarHBondContact O-N 3.18Å; I744-F766 VanDerWaalsContact O-N 3.13Å; I744-F766 VanDerWaalsContact O-O 3.07Å
745	G	96.1	Very high	93.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	177.6	-174.7	0	0	0	0	0	112.7	R689 V690 L762 A763 D765	R689-G745 CarbonylContact C-O 3.57Å; R689-G745 VanDerWaalsContact CA-O 3.24Å; R689-G745 WeakPolarHBondContact CA-O 3.18Å; V690-G745 PolarHBondContact N-O 3.03Å; V690-G745 PolarHBondContact O-N 2.91Å; V690-G745 VanDerWaalsContact O-N 3.12Å; G745-L762 VanDerWaalsContact C-CD1 3.45Å; G745-L762 WeakPolarHBondContact O-CD1 3.34Å; G745-A763 CarbonylContact C-O 3.57Å; G745-A763 WeakPolarHBondContact CA-O 3.22Å; G745-D765 WeakPolarHBondContact CA-OD2 3.17Å
746	T	96.8	Very high	93	Very high	53 Å²	53	50.5 Å²	50.5	33%	0.325	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.7	174.7	-57.5	0	0	0	0	110	K688 A763	K688-T746 WeakPolarHBondContact O-CA 3.27Å; T746-A763 PolarHBondContact N-O 3.34Å; T746-A763 PolarHBondContact O-N 3.47Å
747	L	95.7	Very high	92.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.7	174.8	-78.1	163.4	0	0	0	110.5	A682 M685 E687 K688 V690 L718 E761 L762	A682-L747 HydrophobicContact CB-CD1 3.97Å; A682-L747 HydrophobicContact CB-CD2 4.14Å; A682-L747 WeakPolarHBondContact O-CD1 3.47Å; M685-L747 HydrophobicContact CB-CD1 3.73Å; M685-L747 WeakPolarHBondContact O-CD1 3.44Å; E687-L747 WeakPolarHBondContact CA-O 3.35Å; E687-L747 PolarHBondContact N-O 2.84Å; K688-L747 PolarHBondContact O-N 3.27Å; K688-L747 VanDerWaalsContact O-N 3.09Å; V690-L747 HydrophobicContact CB-CD1 4.46Å; V690-L747 HydrophobicContact CG1-CD1 3.93Å; V690-L747 HydrophobicContact CG2-CD1 3.7Å; V690-L747 HydrophobicContact CG2-CG 3.78Å; L718-L747 HydrophobicContact CD1-CD2 4.09Å; L747-E761 WeakPolarHBondContact CA-O 3.49Å; L747-L762 HydrophobicContact CD2-CB 4.26Å; L747-L762 HydrophobicContact CD2-CD1 4.01Å; L747-L762 HydrophobicContact CG-CD1 3.9Å
748	T	94.2	Very high	92.4	Very high	51 Å²	51	53.2 Å²	53.2	31%	0.313	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154	177.4	56.1	0	0	0	0	110.7	C760 E761	T748-C760 VanDerWaalsContact O-CA 3.3Å; T748-C760 WeakPolarHBondContact O-CA 3.49Å; T748-C760 WeakPolarHBondContact O-CB 3.37Å; T748-E761 PolarHBondContact N-O 2.71Å; T748-E761 PolarHBondContact O-N 3.46Å; T748-E761 WeakPolarHBondContact OG1-CG 3.42Å; T748-E761 PolarHBondContact OG1-O 2.63Å
749	H	92.4	Very high	92.2	Very high	130 Å²	130	54.9 Å²	54.9	60%	0.602	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	145.3	166.2	-73.8	-67.2	0	0	0	110.3
750	V	90.8	Very high	92	Very high	25 Å²	25	55 Å²	55	15%	0.152	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-65.2	134.8	173.9	178.1	0	0	0	0	108.9	K754 A756 G759	V750-K754 VanDerWaalsContact CG1-C 3.45Å; V750-K754 HydrophobicContact CG1-CB 3.48Å; V750-K754 VanDerWaalsContact CG1-CB 3.48Å; V750-K754 VanDerWaalsContact CG1-O 3.26Å; V750-K754 WeakPolarHBondContact CG1-O 3.39Å; V750-A756 HydrophobicContact CG2-CB 3.5Å; V750-G759 VanDerWaalsContact CG2-C 3.49Å; V750-G759 PolarHBondContact N-O 3.02Å
751	P	86.7	Confident	91.9	Very high	71 Å²	71	56 Å²	56	46%	0.461	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-55.5	149.6	177.2	-26.7	34.4	0	0	0	112.9	G753 K754 E761	P751-G753 PolarHBondContact O-N 3.1Å; P751-K754 HydrophobicContact CB-CG 4.36Å; P751-K754 WeakPolarHBondContact O-CB 3.38Å; P751-K754 PolarHBondContact O-N 3.24Å; P751-E761 WeakPolarHBondContact CD-OE1 3.34Å
752	E	85.9	Confident	92	Very high	203 Å²	203	56 Å²	56	95%	0.949	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	130.8	179.2	-167.9	177.9	179.8	0	0	111.7	K754	E752-K754 VanDerWaalsContact C-N 3.32Å; E752-K754 PolarHBondContact O-N 3.38Å
753	G	87.7	Confident	91.9	Very high	79 Å²	79	57 Å²	57	81%	0.814	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	5.6	-177.9	0	0	0	0	0	115.6	P751	P751-G753 PolarHBondContact O-N 3.1Å
754	K	89	Confident	91.9	Very high	153 Å²	153	57.3 Å²	57.3	67%	0.665	34%	0.344	S	S	*	.			trans	-108.3	156.1	169.7	-59.8	-62.4	-177.4	-174.2	0	110.3	V750 P751 E752	V750-K754 VanDerWaalsContact CG1-C 3.45Å; V750-K754 HydrophobicContact CG1-CB 3.48Å; V750-K754 VanDerWaalsContact CG1-CB 3.48Å; V750-K754 VanDerWaalsContact CG1-O 3.26Å; V750-K754 WeakPolarHBondContact CG1-O 3.39Å; P751-K754 HydrophobicContact CB-CG 4.36Å; P751-K754 WeakPolarHBondContact O-CB 3.38Å; P751-K754 PolarHBondContact O-N 3.24Å; E752-K754 VanDerWaalsContact C-N 3.32Å; E752-K754 PolarHBondContact O-N 3.38Å
755	E	88.1	Confident	91.8	Very high	190 Å²	190	59.5 Å²	59.5	89%	0.888	36%	0.356	S	S	*	.			trans	-124.7	136.6	175.7	-66.5	-177.7	174.4	0	0	109.2
756	A	89.5	Confident	91.7	Very high	15 Å²	15	60.7 Å²	60.7	12%	0.124	36%	0.361	C	S	.	.			trans	-140.8	152.1	168	0	0	0	0	0	109.1	Q719 V750 G758 G759	Q719-A756 HydrophobicContact CB-CB 4Å; V750-A756 HydrophobicContact CG2-CB 3.5Å; A756-G758 PolarHBondContact O-N 2.96Å; A756-G759 PolarHBondContact O-N 3.21Å
757	P	87.1	Confident	91.7	Very high	56 Å²	56	58.8 Å²	58.8	36%	0.364	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-52.3	131.6	176.1	-27.2	36.1	0	0	0	111.9	Y717 G759	Y717-P757 WeakPolarHBondContact O-CB 3.37Å; P757-G759 PolarHBondContact O-N 3.21Å
758	G	85.1	Confident	91.6	Very high	57 Å²	57	64.2 Å²	64.2	59%	0.588	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	73.2	3.7	-178.3	0	0	0	0	0	115.6	A756 C760	A756-G758 PolarHBondContact O-N 2.96Å; G758-C760 PolarHBondContact O-N 2.84Å
759	G	90.2	Very high	91.6	Very high	42 Å²	42	62.6 Å²	62.6	43%	0.433	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	69.6	12.5	176.8	0	0	0	0	0	115	V750 A756 P757	V750-G759 VanDerWaalsContact CG2-C 3.49Å; V750-G759 PolarHBondContact N-O 3.02Å; A756-G759 PolarHBondContact O-N 3.21Å; P757-G759 PolarHBondContact O-N 3.21Å
760	C	93.3	Very high	91.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.014	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	160.7	176.2	58.9	0	0	0	0	111.1	V686 T748 G758	V686-C760 HydrophobicContact CG2-CB 4.2Å; T748-C760 VanDerWaalsContact O-CA 3.3Å; T748-C760 WeakPolarHBondContact O-CA 3.49Å; T748-C760 WeakPolarHBondContact O-CB 3.37Å; G758-C760 PolarHBondContact O-N 2.84Å
761	E	95.6	Very high	91.8	Very high	23 Å²	23	57.4 Å²	57.4	11%	0.107	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.5	172.9	62.6	-174.9	-168.2	0	0	110.5	Q719 I721 L747 T748 P751	Q719-E761 HydrophobicContact CB-CB 4.29Å; Q719-E761 HydrophobicContact CG-CB 4.35Å; Q719-E761 PolarHBondContact NE2-OE2 3.02Å; Q719-E761 CarbonylContact O-C 3.54Å; Q719-E761 WeakPolarHBondContact O-CA 3.49Å; I721-E761 VanDerWaalsContact CD1-CD 3.44Å; I721-E761 HydrophobicContact CD1-CG 4.26Å; I721-E761 WeakPolarHBondContact CD1-OE1 3.37Å; I721-E761 WeakPolarHBondContact CD1-OE2 3.44Å; L747-E761 WeakPolarHBondContact CA-O 3.49Å; T748-E761 PolarHBondContact N-O 2.71Å; T748-E761 PolarHBondContact O-N 3.46Å; T748-E761 WeakPolarHBondContact OG1-CG 3.42Å; T748-E761 PolarHBondContact OG1-O 2.63Å; P751-E761 WeakPolarHBondContact CD-OE1 3.34Å
762	L	96.8	Very high	92	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.8	-179	-174.5	72	0	0	0	110.1	V690 L718 Q719 C720 I721 V743 G745 L747 V764	V690-L762 HydrophobicContact CG2-CD1 3.6Å; L718-L762 HydrophobicContact CD2-CB 4.25Å; L718-L762 HydrophobicContact CD2-CD2 4.41Å; Q719-L762 PolarHBondContact O-N 3.04Å; C720-L762 WeakPolarHBondContact CA-O 3.45Å; I721-L762 PolarHBondContact N-O 3.21Å; V743-L762 HydrophobicContact CB-CD2 3.91Å; V743-L762 HydrophobicContact CG2-CD2 3.32Å; G745-L762 VanDerWaalsContact C-CD1 3.45Å; G745-L762 WeakPolarHBondContact O-CD1 3.34Å; L747-L762 HydrophobicContact CD2-CB 4.26Å; L747-L762 HydrophobicContact CD2-CD1 4.01Å; L747-L762 HydrophobicContact CG-CD1 3.9Å; L762-V764 HydrophobicContact CD2-CG2 4.24Å; L762-V764 HydrophobicContact CG-CG2 4.34Å; L762-V764 PolarHBondContact O-N 2.99Å
763	A	96.1	Very high	92.4	Very high	46 Å²	46	49.3 Å²	49.3	38%	0.38	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	104.1	169.1	0	0	0	0	0	109	G745 T746	G745-A763 CarbonylContact C-O 3.57Å; G745-A763 WeakPolarHBondContact CA-O 3.22Å; T746-A763 PolarHBondContact N-O 3.34Å; T746-A763 PolarHBondContact O-N 3.47Å
764	V	96.2	Very high	92.4	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	127.6	-171.2	-177.9	0	0	0	0	110.5	C720 I721 I722 L726 V743 I744 L762 F766 W767	C720-V764 HydrophobicContact CB-CG2 3.88Å; I721-V764 WeakPolarHBondContact O-CB 3.34Å; I721-V764 PolarHBondContact O-N 3.25Å; I722-V764 HydrophobicContact CG1-CB 3.79Å; I722-V764 HydrophobicContact CG1-CG1 4.01Å; I722-V764 HydrophobicContact CG1-CG2 3.72Å; L726-V764 HydrophobicContact CD1-CG1 4.3Å; L726-V764 WeakPolarHBondContact CD1-O 3.43Å; V743-V764 HydrophobicContact CB-CG1 4.41Å; V743-V764 HydrophobicContact CB-CG2 4.22Å; V743-V764 HydrophobicContact CG1-CG1 4.46Å; V743-V764 HydrophobicContact CG1-CG2 4.22Å; I744-V764 WeakPolarHBondContact O-CA 3.37Å; I744-V764 WeakPolarHBondContact O-CG1 3.46Å; L762-V764 HydrophobicContact CD2-CG2 4.24Å; L762-V764 HydrophobicContact CG-CG2 4.34Å; L762-V764 PolarHBondContact O-N 2.99Å; V764-F766 WeakPolarHBondContact CG1-O 3.45Å; V764-W767 HydrophobicContact CG1-CB 4.03Å; V764-W767 HydrophobicContact CG1-CG 4.31Å
765	D	94.5	Very high	92	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.241	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-23.1	173.3	60.1	52.5	0	0	0	112.7	L671 R689 L726 I744 G745	L671-D765 HydrophobicContact CD1-CB 4.12Å; R689-D765 IonicContact CZ-OD1 3.5Å; R689-D765 IonicContact CZ-OD2 2.63Å; R689-D765 IonicContact NE-OD1 2.77Å; R689-D765 PolarHBondContact NE-OD1 3.3Å; R689-D765 IonicContact NE-OD2 3.15Å; R689-D765 PolarHBondContact NE-OD2 3.04Å; R689-D765 IonicContact NH2-OD1 3.86Å; R689-D765 PolarHBondContact NH2-OD1 3.4Å; R689-D765 IonicContact NH2-OD2 2.83Å; L726-D765 WeakPolarHBondContact CD1-O 3.49Å; I744-D765 PolarHBondContact O-N 3.33Å; G745-D765 WeakPolarHBondContact CA-OD2 3.17Å
766	F	94.7	Very high	91.5	Very high	26 Å²	26	36.8 Å²	36.8	11%	0.114	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	148.3	176	-179.5	-103.6	0	0	0	111.3	V665 E667 F742 I744 V764	V665-F766 HydrophobicContact CG1-CD2 4.15Å; V665-F766 HydrophobicContact CG1-CE2 4.49Å; V665-F766 WeakPolarHBondContact O-CE2 3.23Å; E667-F766 HydrophobicContact CB-CD1 4.11Å; E667-F766 HydrophobicContact CB-CD2 4.28Å; E667-F766 HydrophobicContact CB-CE1 4.31Å; E667-F766 HydrophobicContact CB-CE2 4.5Å; E667-F766 HydrophobicContact CB-CG 4.08Å; F742-F766 AromaticContact CE2-CD1 3.89Å; F742-F766 HydrophobicContact CE2-CD1 3.89Å; F742-F766 AromaticContact CE2-CE1 3.6Å; F742-F766 HydrophobicContact CE2-CE1 3.6Å; F742-F766 AromaticContact CZ-CE1 3.85Å; F742-F766 HydrophobicContact CZ-CE1 3.85Å; I744-F766 WeakPolarHBondContact CA-O 3.43Å; I744-F766 HydrophobicContact CB-CB 4.24Å; I744-F766 HydrophobicContact CD1-CD1 3.7Å; I744-F766 HydrophobicContact CD1-CE1 4.44Å; I744-F766 HydrophobicContact CG1-CD1 4.15Å; I744-F766 PolarHBondContact N-O 3.2Å; I744-F766 PolarHBondContact O-N 3.18Å; I744-F766 VanDerWaalsContact O-N 3.13Å; I744-F766 VanDerWaalsContact O-O 3.07Å; V764-F766 WeakPolarHBondContact CG1-O 3.45Å
767	W	95.5	Very high	91.3	Very high	13 Å²	13	36 Å²	36	5%	0.049	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	160.2	175.7	69.8	-77.6	0	0	0	111.4	M707 I722 L726 D731 A732 L735 L741 F742 V743 V764 I769	M707-W767 HydrophobicContact CE-CH2 4.23Å; M707-W767 HydrophobicContact CE-CZ2 3.84Å; I722-W767 HydrophobicContact CD1-CD2 4.22Å; I722-W767 HydrophobicContact CD1-CG 4.29Å; L726-W767 PolarHBondContact O-NE1 2.84Å; L726-W767 VanDerWaalsContact O-NE1 3.12Å; D731-W767 VanDerWaalsContact C-CH2 3.5Å; D731-W767 HydrophobicContact CB-CH2 3.9Å; D731-W767 HydrophobicContact CB-CZ2 4.41Å; D731-W767 HydrophobicContact CB-CZ3 4.19Å; A732-W767 HydrophobicContact CB-CH2 4.34Å; A732-W767 HydrophobicContact CB-CZ2 3.73Å; L735-W767 HydrophobicContact CB-CH2 4.07Å; L735-W767 HydrophobicContact CD1-CH2 4.36Å; L735-W767 HydrophobicContact CD1-CZ3 3.98Å; L735-W767 HydrophobicContact CD2-CH2 3.86Å; L735-W767 HydrophobicContact CD2-CZ3 4Å; L735-W767 HydrophobicContact CG-CH2 4.31Å; L735-W767 HydrophobicContact CG-CZ3 4.38Å; L741-W767 HydrophobicContact CD1-CE3 4.03Å; F742-W767 VanDerWaalsContact O-CA 3.27Å; F742-W767 WeakPolarHBondContact O-CA 3.23Å; F742-W767 WeakPolarHBondContact O-CB 3.27Å; V743-W767 HydrophobicContact CB-CB 4.39Å; V743-W767 HydrophobicContact CG1-CB 3.93Å; V764-W767 HydrophobicContact CG1-CB 4.03Å; V764-W767 HydrophobicContact CG1-CG 4.31Å; W767-I769 HydrophobicContact CH2-CG1 4.37Å; W767-I769 HydrophobicContact CZ3-CD1 4.31Å; W767-I769 HydrophobicContact CZ3-CG1 3.67Å
768	K	93.8	Very high	91.3	Very high	114 Å²	114	35 Å²	35	50%	0.496	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.9	178.9	-171.8	-178.2	175.4	179.1	0	111.6	L741 F742	L741-K768 WeakPolarHBondContact CA-O 3.42Å; L741-K768 VanDerWaalsContact CB-O 3.23Å; L741-K768 WeakPolarHBondContact CB-O 3.47Å; F742-K768 HydrophobicContact CD1-CB 4.31Å; F742-K768 HydrophobicContact CE1-CB 3.61Å; F742-K768 HydrophobicContact CE1-CD 4.14Å; F742-K768 HydrophobicContact CE1-CG 4.35Å; F742-K768 HydrophobicContact CE2-CB 4.22Å; F742-K768 HydrophobicContact CZ-CB 3.55Å; F742-K768 HydrophobicContact CZ-CD 4.28Å; F742-K768 PolarHBondContact N-O 3.49Å; F742-K768 VanDerWaalsContact N-O 3.13Å; F742-K768 PolarHBondContact O-N 2.94Å
769	I	94.1	Very high	91.2	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.087	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.8	171.3	-64.4	179.3	0	0	0	110	D731 L735 W767 E772	D731-I769 HydrophobicContact CB-CD1 3.96Å; D731-I769 HydrophobicContact CB-CG1 4.01Å; D731-I769 WeakPolarHBondContact O-CD1 3.34Å; D731-I769 PolarHBondContact OD2-N 3.37Å; L735-I769 HydrophobicContact CB-CD1 4.09Å; L735-I769 HydrophobicContact CD1-CD1 3.81Å; L735-I769 HydrophobicContact CD1-CG1 3.88Å; W767-I769 HydrophobicContact CH2-CG1 4.37Å; W767-I769 HydrophobicContact CZ3-CD1 4.31Å; W767-I769 HydrophobicContact CZ3-CG1 3.67Å; I769-E772 HydrophobicContact CG2-CG 3.91Å
770	I	94.9	Very high	90.7	Very high	37 Å²	37	42.5 Å²	42.5	19%	0.19	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-55.3	173.4	-64.1	169.4	0	0	0	109.4	F362 W498 F693 S740 F742	F362-I770 HydrophobicContact CD1-CD1 3.92Å; F362-I770 HydrophobicContact CE1-CD1 3.83Å; W498-I770 HydrophobicContact CZ3-CG2 4.31Å; F693-I770 HydrophobicContact CD1-CD1 3.62Å; F693-I770 HydrophobicContact CE1-CD1 3.94Å; S740-I770 PolarHBondContact O-N 2.93Å; S740-I770 WeakPolarHBondContact OG-CB 3.21Å; F742-I770 HydrophobicContact CB-CD1 4.49Å; F742-I770 HydrophobicContact CD1-CD1 4.17Å; F742-I770 HydrophobicContact CD1-CG1 4.18Å
771	G	93.2	Very high	90.3	Very high	9 Å²	9	45 Å²	45	9%	0.093	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.3	177.1	0	0	0	0	0	109.9	S739 S740	S739-G771 CarbonylContact C-O 3.58Å; S739-G771 WeakPolarHBondContact CA-O 3.45Å; S740-G771 PolarHBondContact N-O 3.1Å; S740-G771 PolarHBondContact O-N 2.86Å; S740-G771 WeakPolarHBondContact OG-CA 3.44Å; S740-G771 PolarHBondContact OG-N 3.15Å
772	E	92	Very high	89.8	Confident	91 Å²	91	44.8 Å²	44.8	43%	0.425	26%	0.255	S	S	.	.			trans	-68.7	166.4	173.7	-65.5	179.4	-163	0	0	110.6	G527 I769	G527-E772 WeakPolarHBondContact CA-O 3.4Å; G527-E772 PolarHBondContact N-O 3.12Å; I769-E772 HydrophobicContact CG2-CG 3.91Å
773	S	92.6	Very high	89	Confident	13 Å²	13	49.7 Å²	49.7	9%	0.091	28%	0.282	C	S	.	.			trans	-136.6	149.8	173.9	170	0	0	0	0	109.1	K525 S736 Q737 S739	K525-S773 WeakPolarHBondContact O-CA 3.46Å; S736-S773 WeakPolarHBondContact CB-O 3.36Å; S736-S773 VanDerWaalsContact OG-C 3.31Å; S736-S773 WeakPolarHBondContact OG-CB 3.45Å; S736-S773 PolarHBondContact OG-O 2.74Å; Q737-S773 VanDerWaalsContact O-CB 3.23Å; Q737-S773 WeakPolarHBondContact O-CB 3.38Å; Q737-S773 PolarHBondContact O-OG 2.87Å; S739-S773 PolarHBondContact OG-N 3.48Å
774	P	88.5	Confident	87.9	Confident	53 Å²	53	57.5 Å²	57.5	34%	0.344	31%	0.31	S	S	.	.			trans	-50.7	145.3	173.7	-27.7	35.2	0	0	0	112.1	K525 Y526 G776 G777	K525-P774 WeakPolarHBondContact O-CD 3.02Å; Y526-P774 HydrophobicContact CD1-CG 4.47Å; Y526-P774 HydrophobicContact CE1-CB 4.45Å; Y526-P774 HydrophobicContact CE1-CG 3.97Å; Y526-P774 HydrophobicContact CE2-CG 4.43Å; P774-G776 PolarHBondContact O-N 2.89Å; P774-G777 PolarHBondContact O-N 2.97Å
775	A	80.1	Confident	87.1	Confident	78 Å²	78	65.9 Å²	65.9	65%	0.645	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	140.9	171.8	0	0	0	0	0	109.5	G777 N780	A775-G777 PolarHBondContact O-N 3.46Å; A775-N780 PolarHBondContact O-ND2 2.81Å
776	G	78.3	Confident	86.7	Confident	27 Å²	27	64.5 Å²	64.5	28%	0.278	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-10.7	-174.9	0	0	0	0	0	115.9	P774 I778 E779	P774-G776 PolarHBondContact O-N 2.89Å; G776-I778 PolarHBondContact O-N 2.98Å; G776-E779 PolarHBondContact O-N 2.88Å
777	G	85.1	Confident	86.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	56.2	-134.3	177.7	0	0	0	0	0	112.6	P774 A775 E779	P774-G777 PolarHBondContact O-N 2.97Å; A775-G777 PolarHBondContact O-N 3.46Å; G777-E779 VanDerWaalsContact C-N 3.34Å; G777-E779 PolarHBondContact O-N 3.3Å
778	I	87.7	Confident	86	Confident	33 Å²	33	69.8 Å²	69.8	17%	0.169	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-69.2	-30.9	-177.5	-63.6	161	0	0	0	112.1	E738 G776 N780 V781 L782 L797 R800	E738-I778 HydrophobicContact CG-CD1 3.71Å; E738-I778 HydrophobicContact CG-CG1 3.9Å; G776-I778 PolarHBondContact O-N 2.98Å; I778-N780 PolarHBondContact O-N 2.97Å; I778-N780 VanDerWaalsContact O-N 3.1Å; I778-V781 PolarHBondContact O-N 2.87Å; I778-L782 HydrophobicContact CG2-CB 4.28Å; I778-L782 HydrophobicContact CG2-CD1 4.01Å; I778-L782 HydrophobicContact CG2-CG 4.44Å; I778-L782 PolarHBondContact O-N 3.33Å; I778-L797 HydrophobicContact CD1-CB 4.45Å; I778-L797 HydrophobicContact CG1-CB 4.17Å; I778-L797 HydrophobicContact CG1-CD2 4.49Å; I778-L797 HydrophobicContact CG2-CB 4.19Å; I778-R800 HydrophobicContact CD1-CB 3.98Å
779	E	83.1	Confident	85.8	Confident	137 Å²	137	67 Å²	67	64%	0.64	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-63.1	-20.6	-177	-63.7	177.3	-170.5	0	0	112.6	G776 G777 L782	G776-E779 PolarHBondContact O-N 2.88Å; G777-E779 VanDerWaalsContact C-N 3.34Å; G777-E779 PolarHBondContact O-N 3.3Å; E779-L782 WeakPolarHBondContact CA-O 3.16Å
780	N	79.7	Confident	85.7	Confident	120 Å²	120	70.1 Å²	70.1	64%	0.642	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-80.6	-16.6	174.5	-84.3	2.5	0	0	0	114.1	A775 I778	A775-N780 PolarHBondContact O-ND2 2.81Å; I778-N780 PolarHBondContact O-N 2.97Å; I778-N780 VanDerWaalsContact O-N 3.1Å
781	V	82.9	Confident	85.6	Confident	54 Å²	54	71.4 Å²	71.4	33%	0.327	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-38.5	175.9	-175.9	0	0	0	0	110.5	Y526 I778 Q794 L797	Y526-V781 WeakPolarHBondContact OH-CG2 3.35Å; I778-V781 PolarHBondContact O-N 2.87Å; V781-Q794 HydrophobicContact CG1-CG 3.92Å; V781-L797 HydrophobicContact CB-CD1 4.38Å; V781-L797 HydrophobicContact CG1-CD1 4.3Å; V781-L797 HydrophobicContact CG2-CD1 4.33Å
782	L	85.3	Confident	85.6	Confident	19 Å²	19	71.1 Å²	71.1	10%	0.099	38%	0.382	C	S	.	.			trans	-125.6	119.2	-173.2	-64.3	177.8	0	0	0	110.4	I778 E779 A786 I790 L791 Q794 V798	I778-L782 HydrophobicContact CG2-CB 4.28Å; I778-L782 HydrophobicContact CG2-CD1 4.01Å; I778-L782 HydrophobicContact CG2-CG 4.44Å; I778-L782 PolarHBondContact O-N 3.33Å; E779-L782 WeakPolarHBondContact CA-O 3.16Å; L782-A786 HydrophobicContact CD2-CB 4.42Å; L782-I790 HydrophobicContact CD2-CG2 3.77Å; L782-L791 HydrophobicContact CD1-CD2 4.29Å; L782-L791 HydrophobicContact CD2-CD2 4.14Å; L782-Q794 HydrophobicContact CD1-CB 3.95Å; L782-Q794 HydrophobicContact CD2-CB 3.9Å; L782-Q794 HydrophobicContact CD2-CG 4.09Å; L782-Q794 HydrophobicContact CG-CB 4.2Å; L782-V798 HydrophobicContact CD1-CG2 3.44Å; L782-V798 VanDerWaalsContact CD1-CG2 3.44Å
783	N	80.7	Confident	85.6	Confident	104 Å²	104	69.5 Å²	69.5	56%	0.556	38%	0.377	S	S	*	.			trans	-95.7	167	168.6	65.2	53.7	0	0	0	110.9	E785 A786	N783-E785 PolarHBondContact O-N 3.27Å; N783-E785 VanDerWaalsContact O-N 3.17Å; N783-E785 WeakPolarHBondContact OD1-CA 3.16Å; N783-E785 PolarHBondContact OD1-N 3.26Å; N783-A786 WeakPolarHBondContact O-CB 3.44Å; N783-A786 PolarHBondContact O-N 2.81Å; N783-A786 PolarHBondContact OD1-N 3.41Å
784	E	73.3	Confident	85.7	Confident	210 Å²	210	70.6 Å²	70.6	98%	0.981	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.1	-178.6	-63.7	-175.6	167.3	0	0	113.7
785	E	80.1	Confident	86.1	Confident	184 Å²	184	68.4 Å²	68.4	86%	0.86	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	10	-178.2	-60.3	-179.1	171.9	0	0	112.6	N783 H787	N783-E785 PolarHBondContact O-N 3.27Å; N783-E785 VanDerWaalsContact O-N 3.17Å; N783-E785 WeakPolarHBondContact OD1-CA 3.16Å; N783-E785 PolarHBondContact OD1-N 3.26Å; E785-H787 PolarHBondContact O-N 3.06Å
786	A	84.5	Confident	86.9	Confident	15 Å²	15	64.7 Å²	64.7	12%	0.124	33%	0.334	C	S	.	.			trans	-59.5	134.6	-175.9	0	0	0	0	0	111.3	L782 N783 L791	L782-A786 HydrophobicContact CD2-CB 4.42Å; N783-A786 WeakPolarHBondContact O-CB 3.44Å; N783-A786 PolarHBondContact O-N 2.81Å; N783-A786 PolarHBondContact OD1-N 3.41Å; A786-L791 HydrophobicContact CB-CD2 4Å; A786-L791 HydrophobicContact CB-CG 4.1Å
787	H	88.3	Confident	87.7	Confident	107 Å²	107	63.4 Å²	63.4	50%	0.495	32%	0.321	S	S	.	.			trans	-57.6	143.1	177.4	-168.6	-97.7	0	0	0	110.2	E785 D789 I790 L791	E785-H787 PolarHBondContact O-N 3.06Å; H787-D789 IonicContact CE1-OD2 3.53Å; H787-D789 PolarHBondContact CE1-OD2 3.04Å; H787-D789 PolarHBondContact ND1-N 2.94Å; H787-D789 IonicContact ND1-OD2 2.77Å; H787-D789 PolarHBondContact ND1-OD2 3.46Å; H787-D789 PolarHBondContact O-N 2.66Å; H787-I790 HydrophobicContact CB-CD1 4.1Å; H787-I790 HydrophobicContact CB-CG1 4.4Å; H787-I790 WeakPolarHBondContact O-CB 3.4Å; H787-I790 PolarHBondContact O-N 3.25Å; H787-L791 PolarHBondContact O-N 3.02Å; H787-L791 VanDerWaalsContact O-N 3.15Å
788	P	87.6	Confident	88.2	Confident	43 Å²	43	65.1 Å²	65.1	28%	0.279	33%	0.332	S	S	.	.	H	α-helix	trans	-51.8	-33.9	-179.9	-31.7	36.9	0	0	0	115.5	L791 L792	P788-L791 PolarHBondContact O-N 3.42Å; P788-L792 VanDerWaalsContact O-CG 3.3Å; P788-L792 WeakPolarHBondContact O-CG 3.48Å; P788-L792 PolarHBondContact O-N 3.07Å
789	D	89.8	Confident	88.5	Confident	57 Å²	57	63.6 Å²	63.6	31%	0.305	32%	0.324	S	S	.	.	H	α-helix	trans	-67	-39.5	177.2	-63.7	-38.3	0	0	0	112.3	H787 L791 L792 D793 R1107	H787-D789 IonicContact CE1-OD2 3.53Å; H787-D789 PolarHBondContact CE1-OD2 3.04Å; H787-D789 PolarHBondContact ND1-N 2.94Å; H787-D789 IonicContact ND1-OD2 2.77Å; H787-D789 PolarHBondContact ND1-OD2 3.46Å; H787-D789 PolarHBondContact O-N 2.66Å; D789-L791 VanDerWaalsContact C-N 3.32Å; D789-L791 PolarHBondContact O-N 3.26Å; D789-L792 PolarHBondContact O-N 3.29Å; D789-L792 VanDerWaalsContact O-N 3.13Å; D789-D793 VanDerWaalsContact O-CG 3.24Å; D789-D793 PolarHBondContact O-N 2.7Å; D789-R1107 PolarHBondContact O-NH2 3.38Å
790	I	91.4	Very high	89.1	Confident	82 Å²	82	57.1 Å²	57.1	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-39.9	175.4	-62.9	166.6	0	0	0	110.3	L782 H787 L792 D793 Q794	L782-I790 HydrophobicContact CD2-CG2 3.77Å; H787-I790 HydrophobicContact CB-CD1 4.1Å; H787-I790 HydrophobicContact CB-CG1 4.4Å; H787-I790 WeakPolarHBondContact O-CB 3.4Å; H787-I790 PolarHBondContact O-N 3.25Å; I790-L792 VanDerWaalsContact C-N 3.25Å; I790-L792 PolarHBondContact O-N 2.62Å; I790-D793 PolarHBondContact O-N 3.05Å; I790-Q794 WeakPolarHBondContact O-CB 3.18Å; I790-Q794 PolarHBondContact O-N 3.48Å
791	L	92.6	Very high	89.7	Confident	63 Å²	63	52.8 Å²	52.8	33%	0.33	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-32.5	174.9	-67.6	174	0	0	0	112.3	L782 A786 H787 P788 D789 R795 V798	L782-L791 HydrophobicContact CD1-CD2 4.29Å; L782-L791 HydrophobicContact CD2-CD2 4.14Å; A786-L791 HydrophobicContact CB-CD2 4Å; A786-L791 HydrophobicContact CB-CG 4.1Å; H787-L791 PolarHBondContact O-N 3.02Å; H787-L791 VanDerWaalsContact O-N 3.15Å; P788-L791 PolarHBondContact O-N 3.42Å; D789-L791 VanDerWaalsContact C-N 3.32Å; D789-L791 PolarHBondContact O-N 3.26Å; L791-R795 WeakPolarHBondContact O-CA 3.27Å; L791-R795 PolarHBondContact O-N 2.9Å; L791-V798 HydrophobicContact CB-CG2 4.41Å; L791-V798 HydrophobicContact CD2-CG2 4.05Å; L791-V798 WeakPolarHBondContact O-CG2 3.43Å
792	L	93.5	Very high	90.2	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-75.3	-45.1	175.1	-68.9	173.4	0	0	0	111.2	P788 D789 I790 Q794 R795 P1102 F1104 P1110	P788-L792 VanDerWaalsContact O-CG 3.3Å; P788-L792 WeakPolarHBondContact O-CG 3.48Å; P788-L792 PolarHBondContact O-N 3.07Å; D789-L792 PolarHBondContact O-N 3.29Å; D789-L792 VanDerWaalsContact O-N 3.13Å; I790-L792 VanDerWaalsContact C-N 3.25Å; I790-L792 PolarHBondContact O-N 2.62Å; L792-Q794 PolarHBondContact O-N 3.06Å; L792-R795 WeakPolarHBondContact O-CB 3.37Å; L792-R795 PolarHBondContact O-N 2.98Å; L792-P1102 HydrophobicContact CD2-CG 3.64Å; L792-F1104 HydrophobicContact CD1-CE1 4.09Å; L792-F1104 HydrophobicContact CD1-CZ 3.7Å; L792-P1110 CarbonylContact O-C 3.5Å
793	D	93	Very high	90.6	Very high	57 Å²	57	56.5 Å²	56.5	31%	0.305	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-32	177	-62.6	-19.8	0	0	0	112.1	Y518 D789 I790 R1107	Y518-D793 VanDerWaalsContact CE2-O 3.23Å; Y518-D793 WeakPolarHBondContact CE2-O 3.27Å; Y518-D793 PolarHBondContact OH-O 3.11Å; D789-D793 VanDerWaalsContact O-CG 3.24Å; D789-D793 PolarHBondContact O-N 2.7Å; I790-D793 PolarHBondContact O-N 3.05Å; D793-R1107 IonicContact OD1-CZ 2.8Å; D793-R1107 VanDerWaalsContact OD1-CZ 3.22Å; D793-R1107 IonicContact OD1-NH1 2.94Å; D793-R1107 PolarHBondContact OD1-NH1 3.2Å; D793-R1107 IonicContact OD1-NH2 3.55Å; D793-R1107 PolarHBondContact OD1-NH2 3Å
794	Q	94.7	Very high	91.2	Very high	37 Å²	37	52.3 Å²	52.3	17%	0.173	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	22.5	178.1	-60.3	-62	-33.6	0	0	112.8	V781 L782 I790 L792 H796 L797 V798	V781-Q794 HydrophobicContact CG1-CG 3.92Å; L782-Q794 HydrophobicContact CD1-CB 3.95Å; L782-Q794 HydrophobicContact CD2-CB 3.9Å; L782-Q794 HydrophobicContact CD2-CG 4.09Å; L782-Q794 HydrophobicContact CG-CB 4.2Å; I790-Q794 WeakPolarHBondContact O-CB 3.18Å; I790-Q794 PolarHBondContact O-N 3.48Å; L792-Q794 PolarHBondContact O-N 3.06Å; Q794-H796 PolarHBondContact O-N 3.07Å; Q794-H796 VanDerWaalsContact O-N 3.16Å; Q794-H796 PolarHBondContact OE1-CE1 3.31Å; Q794-L797 WeakPolarHBondContact O-CA 3.28Å; Q794-L797 WeakPolarHBondContact O-CB 3.45Å; Q794-L797 PolarHBondContact O-N 3.24Å; Q794-V798 PolarHBondContact O-N 2.94Å; Q794-V798 VanDerWaalsContact O-N 3.08Å
795	R	96.1	Very high	92.3	Very high	6 Å²	6	42.5 Å²	42.5	2%	0.023	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-28.7	-171.4	-174.1	166.4	-171.9	92	0.8	113.7	L791 L792 L797 V798 L799 R1096 I1099 L1100 Y1101	L791-R795 WeakPolarHBondContact O-CA 3.27Å; L791-R795 PolarHBondContact O-N 2.9Å; L792-R795 WeakPolarHBondContact O-CB 3.37Å; L792-R795 PolarHBondContact O-N 2.98Å; R795-L797 PolarHBondContact O-N 2.92Å; R795-V798 PolarHBondContact O-N 3.33Å; R795-L799 HydrophobicContact CG-CD1 4.33Å; R795-L799 HydrophobicContact CG-CG 4.24Å; R795-L799 WeakPolarHBondContact O-CB 3.27Å; R795-L799 WeakPolarHBondContact O-CD1 3.48Å; R795-L799 WeakPolarHBondContact O-CG 3.13Å; R795-L799 PolarHBondContact O-N 3.49Å; R795-R1096 VanDerWaalsContact CZ-O 3.3Å; R795-R1096 PolarHBondContact NH1-O 3.07Å; R795-R1096 PolarHBondContact NH2-O 3.39Å; R795-I1099 PolarHBondContact NH2-O 2.93Å; R795-L1100 VanDerWaalsContact CD-O 3.26Å; R795-L1100 WeakPolarHBondContact CD-O 3.22Å; R795-L1100 PolarHBondContact NE-O 2.9Å; R795-Y1101 HydrophobicContact CB-CD1 4.19Å; R795-Y1101 HydrophobicContact CB-CE1 4.02Å; R795-Y1101 HydrophobicContact CG-CD1 4.03Å; R795-Y1101 HydrophobicContact CG-CE1 4Å
796	H	96.4	Very high	93.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-28.8	170.8	60.7	-64.8	0	0	0	113.3	T324 Y518 W519 D522 Q523 Q794	T324-H796 HydrophobicContact CG2-CB 4.34Å; Y518-H796 AromaticContact CE2-CE1 3.78Å; W519-H796 HydrophobicContact CB-CB 4.34Å; D522-H796 IonicContact OD2-CD2 3.57Å; D522-H796 IonicContact OD2-CE1 2.74Å; D522-H796 IonicContact OD2-NE2 3.49Å; D522-H796 PolarHBondContact OD2-NE2 2.8Å; Q523-H796 PolarHBondContact NE2-CD2 2.76Å; Q794-H796 PolarHBondContact O-N 3.07Å; Q794-H796 VanDerWaalsContact O-N 3.16Å; Q794-H796 PolarHBondContact OE1-CE1 3.31Å
797	L	95.8	Very high	93.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-87.2	-42.4	172.3	-58.8	-177.7	0	0	0	111.5	Y526 I778 V781 Q794 R795 L799 R800	Y526-L797 HydrophobicContact CD2-CD2 4.07Å; Y526-L797 HydrophobicContact CE2-CD1 4.36Å; Y526-L797 HydrophobicContact CG-CD2 4.07Å; I778-L797 HydrophobicContact CD1-CB 4.45Å; I778-L797 HydrophobicContact CG1-CB 4.17Å; I778-L797 HydrophobicContact CG1-CD2 4.49Å; I778-L797 HydrophobicContact CG2-CB 4.19Å; V781-L797 HydrophobicContact CB-CD1 4.38Å; V781-L797 HydrophobicContact CG1-CD1 4.3Å; V781-L797 HydrophobicContact CG2-CD1 4.33Å; Q794-L797 WeakPolarHBondContact O-CA 3.28Å; Q794-L797 WeakPolarHBondContact O-CB 3.45Å; Q794-L797 PolarHBondContact O-N 3.24Å; R795-L797 PolarHBondContact O-N 2.92Å; L797-L799 PolarHBondContact O-N 3.4Å; L797-R800 VanDerWaalsContact O-CB 3.28Å; L797-R800 WeakPolarHBondContact O-CB 3.4Å; L797-R800 PolarHBondContact O-N 2.65Å
798	V	95	Very high	94.2	Very high	36 Å²	36	29.8 Å²	29.8	22%	0.218	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-36.2	178.6	-169.8	0	0	0	0	111.8	L782 L791 Q794 R795 R800 G801 L804	L782-V798 HydrophobicContact CD1-CG2 3.44Å; L782-V798 VanDerWaalsContact CD1-CG2 3.44Å; L791-V798 HydrophobicContact CB-CG2 4.41Å; L791-V798 HydrophobicContact CD2-CG2 4.05Å; L791-V798 WeakPolarHBondContact O-CG2 3.43Å; Q794-V798 PolarHBondContact O-N 2.94Å; Q794-V798 VanDerWaalsContact O-N 3.08Å; R795-V798 PolarHBondContact O-N 3.33Å; V798-R800 PolarHBondContact O-N 3.06Å; V798-R800 VanDerWaalsContact O-N 3.11Å; V798-G801 PolarHBondContact O-N 2.8Å; V798-L804 HydrophobicContact CB-CD1 3.97Å; V798-L804 HydrophobicContact CG1-CD1 3.43Å; V798-L804 VanDerWaalsContact CG1-CD1 3.43Å; V798-L804 HydrophobicContact CG1-CG 4.19Å
799	L	95.3	Very high	94.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.6	176	-79.8	165.9	0	0	0	113.3	S328 R795 L797 G801 L804 M808 L1100 Y1101	S328-L799 WeakPolarHBondContact CB-O 3.38Å; R795-L799 HydrophobicContact CG-CD1 4.33Å; R795-L799 HydrophobicContact CG-CG 4.24Å; R795-L799 WeakPolarHBondContact O-CB 3.27Å; R795-L799 WeakPolarHBondContact O-CD1 3.48Å; R795-L799 WeakPolarHBondContact O-CG 3.13Å; R795-L799 PolarHBondContact O-N 3.49Å; L797-L799 PolarHBondContact O-N 3.4Å; L799-G801 VanDerWaalsContact C-N 3.27Å; L799-G801 PolarHBondContact O-N 3.4Å; L799-L804 HydrophobicContact CD2-CB 4.27Å; L799-L804 HydrophobicContact CD2-CD1 4.41Å; L799-M808 HydrophobicContact CD2-CE 4.46Å; L799-M808 HydrophobicContact CD2-CG 3.91Å; L799-L1100 HydrophobicContact CD1-CD1 3.6Å; L799-L1100 HydrophobicContact CD1-CG 4.41Å; L799-L1100 HydrophobicContact CD2-CD1 3.93Å; L799-L1100 HydrophobicContact CG-CD1 4.45Å; L799-Y1101 HydrophobicContact CD1-CE1 3.96Å
800	R	95.6	Very high	95	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.9	177.7	-53.5	-170.7	-177.8	-166	2.2	113.5	P327 Y526 R712 E738 I778 L797 V798	P327-R800 HydrophobicContact CB-CG 4.27Å; Y526-R800 PolarHBondContact O-NH1 3.04Å; Y526-R800 PolarHBondContact O-NH2 3.42Å; R712-R800 PolarHBondContact NH1-O 2.84Å; R712-R800 VanDerWaalsContact NH1-O 3.1Å; E738-R800 WeakPolarHBondContact OE2-CD 3.16Å; E738-R800 IonicContact OE2-CZ 3.23Å; E738-R800 IonicContact OE2-NE 3.14Å; E738-R800 IonicContact OE2-NH1 2.71Å; E738-R800 PolarHBondContact OE2-NH1 3.08Å; I778-R800 HydrophobicContact CD1-CB 3.98Å; L797-R800 VanDerWaalsContact O-CB 3.28Å; L797-R800 WeakPolarHBondContact O-CB 3.4Å; L797-R800 PolarHBondContact O-N 2.65Å; V798-R800 PolarHBondContact O-N 3.06Å; V798-R800 VanDerWaalsContact O-N 3.11Å
801	G	92.7	Very high	95.3	Very high	28 Å²	28	22.2 Å²	22.2	29%	0.289	12%	0.12	S	C	.	.	S	Bend	trans	-70.6	155.4	170.9	0	0	0	0	0	112.5	V798 L799 N803 S805	V798-G801 PolarHBondContact O-N 2.8Å; L799-G801 VanDerWaalsContact C-N 3.27Å; L799-G801 PolarHBondContact O-N 3.4Å; G801-N803 PolarHBondContact O-N 3.09Å; G801-S805 WeakPolarHBondContact O-CB 3.27Å; G801-S805 PolarHBondContact O-N 3.28Å
802	E	92.2	Very high	95.5	Very high	55 Å²	55	19.6 Å²	19.6	26%	0.257	11%	0.108	S	C	.	.	H	α-helix	trans	-58.5	-46.7	-174.6	-68.1	-173.1	-153.4	0	0	113	H697 R698 Y717 K806	H697-E802 IonicContact NE2-OE1 3.89Å; R698-E802 IonicContact CZ-OE1 3.85Å; R698-E802 IonicContact NH1-OE1 3.32Å; R698-E802 IonicContact NH2-OE1 3.91Å; R698-E802 PolarHBondContact NH2-OE1 2.84Å; Y717-E802 HydrophobicContact CE2-CG 4.48Å; E802-K806 WeakPolarHBondContact O-CB 3.35Å; E802-K806 WeakPolarHBondContact O-CG 3.33Å; E802-K806 PolarHBondContact O-N 3.35Å; E802-K806 IonicContact OE2-NZ 2.92Å; E802-K806 PolarHBondContact OE2-NZ 3.45Å
803	N	93.5	Very high	95.6	Very high	96 Å²	96	21.5 Å²	21.5	51%	0.513	12%	0.117	S	C	.	.	H	α-helix	trans	-68	-48.5	-171.1	-75.9	-22.1	0	0	0	113.3	G801 K806 I807	G801-N803 PolarHBondContact O-N 3.09Å; N803-K806 PolarHBondContact O-N 3.33Å; N803-I807 WeakPolarHBondContact O-CD1 2.82Å; N803-I807 VanDerWaalsContact O-CG1 3.27Å; N803-I807 WeakPolarHBondContact O-CG1 3.35Å; N803-I807 PolarHBondContact O-N 2.85Å
804	L	94.7	Very high	95.8	Very high	17 Å²	17	18.8 Å²	18.8	9%	0.089	10%	0.103	C	C	.	.	H	α-helix	trans	-67.1	-40.2	178.5	-73.5	-166.5	0	0	0	111.4	V798 L799 K806 I807 M808 D1097	V798-L804 HydrophobicContact CB-CD1 3.97Å; V798-L804 HydrophobicContact CG1-CD1 3.43Å; V798-L804 VanDerWaalsContact CG1-CD1 3.43Å; V798-L804 HydrophobicContact CG1-CG 4.19Å; L799-L804 HydrophobicContact CD2-CB 4.27Å; L799-L804 HydrophobicContact CD2-CD1 4.41Å; L804-K806 PolarHBondContact O-N 3.04Å; L804-I807 HydrophobicContact CD2-CD1 4.15Å; L804-I807 PolarHBondContact O-N 3.08Å; L804-M808 WeakPolarHBondContact O-CG 3.42Å; L804-M808 PolarHBondContact O-N 2.93Å; L804-D1097 HydrophobicContact CD2-CB 4.28Å
805	S	96.1	Very high	96	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-56.6	-48.2	173.3	173.7	0	0	0	0	111.2	S328 G801 I807 M808 K809	S328-S805 PolarHBondContact O-OG 3.22Å; G801-S805 WeakPolarHBondContact O-CB 3.27Å; G801-S805 PolarHBondContact O-N 3.28Å; S805-I807 VanDerWaalsContact C-N 3.35Å; S805-I807 PolarHBondContact O-N 2.97Å; S805-M808 PolarHBondContact O-N 2.75Å; S805-K809 WeakPolarHBondContact O-CG 3.17Å; S805-K809 PolarHBondContact O-N 3Å
806	K	96.7	Very high	96	Very high	32 Å²	32	18.5 Å²	18.5	14%	0.139	11%	0.107	C	C	.	.	H	α-helix	trans	-58.5	-43.4	175.9	-70.3	173.5	-169.8	-179.2	0	112.2	E802 N803 L804 M808 K809 V810 L935 E938 L939	E802-K806 WeakPolarHBondContact O-CB 3.35Å; E802-K806 WeakPolarHBondContact O-CG 3.33Å; E802-K806 PolarHBondContact O-N 3.35Å; E802-K806 IonicContact OE2-NZ 2.92Å; E802-K806 PolarHBondContact OE2-NZ 3.45Å; N803-K806 PolarHBondContact O-N 3.33Å; L804-K806 PolarHBondContact O-N 3.04Å; K806-M808 PolarHBondContact O-N 2.96Å; K806-K809 PolarHBondContact O-N 3.17Å; K806-V810 WeakPolarHBondContact O-CG2 3.48Å; K806-V810 PolarHBondContact O-N 3.26Å; K806-L935 HydrophobicContact CB-CD1 4.36Å; K806-L935 HydrophobicContact CB-CD2 4.47Å; K806-L935 HydrophobicContact CD-CD2 4.14Å; K806-L935 HydrophobicContact CG-CD1 4.41Å; K806-L935 HydrophobicContact CG-CD2 3.88Å; K806-E938 VanDerWaalsContact CE-OE2 3.3Å; K806-E938 WeakPolarHBondContact CE-OE2 3.11Å; K806-E938 IonicContact NZ-OE2 2.75Å; K806-E938 PolarHBondContact NZ-OE2 3.32Å; K806-L939 HydrophobicContact CB-CD1 4.19Å; K806-L939 HydrophobicContact CB-CD2 4.49Å
807	I	97.5	Very high	96.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-41.7	177.8	-66.2	159.6	0	0	0	111.2	N803 L804 S805 V810 R811 L939 L1086 R1092 D1097 T1098	N803-I807 WeakPolarHBondContact O-CD1 2.82Å; N803-I807 VanDerWaalsContact O-CG1 3.27Å; N803-I807 WeakPolarHBondContact O-CG1 3.35Å; N803-I807 PolarHBondContact O-N 2.85Å; L804-I807 HydrophobicContact CD2-CD1 4.15Å; L804-I807 PolarHBondContact O-N 3.08Å; S805-I807 VanDerWaalsContact C-N 3.35Å; S805-I807 PolarHBondContact O-N 2.97Å; I807-V810 PolarHBondContact O-N 2.79Å; I807-R811 WeakPolarHBondContact O-CB 3.14Å; I807-R811 PolarHBondContact O-N 2.87Å; I807-L939 HydrophobicContact CD1-CD2 4.39Å; I807-L939 HydrophobicContact CG1-CD1 3.71Å; I807-L939 HydrophobicContact CG1-CD2 3.96Å; I807-L1086 HydrophobicContact CG2-CD2 4.21Å; I807-R1092 HydrophobicContact CD1-CG 4.16Å; I807-D1097 WeakPolarHBondContact CG2-O 3.49Å; I807-T1098 HydrophobicContact CG2-CG2 4.38Å
808	M	97.6	Very high	96.2	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.025	11%	0.108	C	C	.	.	H	α-helix	trans	-66.9	-34.7	176.9	-64.1	-52.6	132.3	0	0	112.5	L329 L799 L804 S805 K806 R811 G812 D1097 I1099 L1100	L329-M808 HydrophobicContact CD1-CB 3.97Å; L329-M808 HydrophobicContact CD2-CB 4.11Å; L799-M808 HydrophobicContact CD2-CE 4.46Å; L799-M808 HydrophobicContact CD2-CG 3.91Å; L804-M808 WeakPolarHBondContact O-CG 3.42Å; L804-M808 PolarHBondContact O-N 2.93Å; S805-M808 PolarHBondContact O-N 2.75Å; K806-M808 PolarHBondContact O-N 2.96Å; M808-R811 WeakPolarHBondContact O-CB 3.03Å; M808-R811 PolarHBondContact O-N 2.97Å; M808-G812 PolarHBondContact O-N 3.43Å; M808-D1097 WeakPolarHBondContact CE-O 3.4Å; M808-I1099 VanDerWaalsContact CE-O 3.3Å; M808-I1099 WeakPolarHBondContact CE-O 3.34Å; M808-L1100 HydrophobicContact SD-CD1 4.46Å
809	K	96.8	Very high	96.4	Very high	20 Å²	20	17.9 Å²	17.9	9%	0.087	10%	0.102	C	C	.	.	H	α-helix	trans	-64.5	-46.4	171.8	-66.7	179.2	176.8	-171.8	0	111.9	Y284 L329 G714 S805 K806 R811 G812 Q813 L935	Y284-K809 HydrophobicContact CD1-CB 4.21Å; Y284-K809 HydrophobicContact CD1-CG 3.96Å; Y284-K809 HydrophobicContact CE1-CB 3.77Å; Y284-K809 HydrophobicContact CE1-CD 4.04Å; Y284-K809 HydrophobicContact CE1-CG 3.52Å; Y284-K809 HydrophobicContact CE2-CD 4.44Å; Y284-K809 HydrophobicContact CE2-CG 4.33Å; L329-K809 HydrophobicContact CD2-CG 3.79Å; G714-K809 WeakPolarHBondContact O-CE 3.33Å; G714-K809 PolarHBondContact O-NZ 3.29Å; S805-K809 WeakPolarHBondContact O-CG 3.17Å; S805-K809 PolarHBondContact O-N 3Å; K806-K809 PolarHBondContact O-N 3.17Å; K809-R811 VanDerWaalsContact C-N 3.28Å; K809-R811 PolarHBondContact O-N 3.33Å; K809-G812 PolarHBondContact O-N 3.34Å; K809-Q813 PolarHBondContact O-N 2.98Å; K809-L935 HydrophobicContact CB-CD1 3.78Å; K809-L935 HydrophobicContact CD-CD1 3.95Å
810	V	97.2	Very high	96.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-38.8	174.3	175.3	0	0	0	0	110.8	K806 I807 Q813 L814 L935 V936 L939 L1086 T1090	K806-V810 WeakPolarHBondContact O-CG2 3.48Å; K806-V810 PolarHBondContact O-N 3.26Å; I807-V810 PolarHBondContact O-N 2.79Å; V810-Q813 PolarHBondContact O-N 3.08Å; V810-L814 VanDerWaalsContact O-CB 3.28Å; V810-L814 WeakPolarHBondContact O-CB 3.42Å; V810-L814 PolarHBondContact O-N 2.95Å; V810-L935 HydrophobicContact CG2-CB 3.68Å; V810-L935 HydrophobicContact CG2-CD1 4.39Å; V810-V936 HydrophobicContact CG1-CG2 3.76Å; V810-V936 HydrophobicContact CG2-CG2 3.98Å; V810-L939 HydrophobicContact CG2-CD1 4.22Å; V810-L1086 HydrophobicContact CB-CD1 4.4Å; V810-L1086 HydrophobicContact CG1-CD1 3.72Å; V810-T1090 HydrophobicContact CB-CG2 4.39Å; V810-T1090 HydrophobicContact CG1-CG2 3.89Å
811	R	97.8	Very high	96.6	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-50.4	174.1	-175.4	-173.5	172.8	89.3	6.9	111.7	T287 I807 M808 K809 Q813 L814 L815 T898 E1083 L1086 T1098	T287-R811 VanDerWaalsContact CB-NH2 3.28Å; T287-R811 PolarHBondContact OG1-NE 3.29Å; T287-R811 PolarHBondContact OG1-NH2 2.81Å; I807-R811 WeakPolarHBondContact O-CB 3.14Å; I807-R811 PolarHBondContact O-N 2.87Å; M808-R811 WeakPolarHBondContact O-CB 3.03Å; M808-R811 PolarHBondContact O-N 2.97Å; K809-R811 VanDerWaalsContact C-N 3.28Å; K809-R811 PolarHBondContact O-N 3.33Å; R811-Q813 VanDerWaalsContact C-N 3.32Å; R811-Q813 PolarHBondContact O-N 3.19Å; R811-L814 WeakPolarHBondContact O-CB 3.19Å; R811-L814 PolarHBondContact O-N 3.45Å; R811-L815 PolarHBondContact O-N 2.95Å; R811-T898 PolarHBondContact NH2-OG1 3.27Å; R811-E1083 IonicContact CZ-OE1 2.84Å; R811-E1083 IonicContact NH1-OE1 3.83Å; R811-E1083 PolarHBondContact NH1-OE1 3Å; R811-E1083 IonicContact NH2-OE1 3.43Å; R811-E1083 PolarHBondContact NH2-OE1 3.14Å; R811-L1086 HydrophobicContact CB-CD2 3.53Å; R811-L1086 HydrophobicContact CG-CD2 3.8Å; R811-T1098 PolarHBondContact NH1-O 3.16Å
812	G	96.6	Very high	96.9	Very high	8 Å²	8	18.3 Å²	18.3	8%	0.082	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-42	176.8	0	0	0	0	0	112.3	M808 K809 L814 L815 A816	M808-G812 PolarHBondContact O-N 3.43Å; K809-G812 PolarHBondContact O-N 3.34Å; G812-L814 PolarHBondContact O-N 2.89Å; G812-L815 WeakPolarHBondContact O-CB 3.48Å; G812-L815 PolarHBondContact O-N 3.23Å; G812-A816 PolarHBondContact O-N 3.4Å; G812-A816 VanDerWaalsContact O-N 3.12Å
813	Q	96.8	Very high	97	Very high	44 Å²	44	21.7 Å²	21.7	21%	0.206	12%	0.118	C	C	.	.	H	α-helix	trans	-67.4	-35.2	176.1	-178.7	55.2	30.5	0	0	112.9	K809 V810 R811 A816 A817 V927 S930 E932	K809-Q813 PolarHBondContact O-N 2.98Å; V810-Q813 PolarHBondContact O-N 3.08Å; R811-Q813 VanDerWaalsContact C-N 3.32Å; R811-Q813 PolarHBondContact O-N 3.19Å; Q813-A816 PolarHBondContact O-N 3.31Å; Q813-A817 WeakPolarHBondContact O-CB 3.42Å; Q813-A817 PolarHBondContact O-N 3.37Å; Q813-V927 HydrophobicContact CG-CG1 4.49Å; Q813-S930 VanDerWaalsContact CD-CB 3.47Å; Q813-S930 VanDerWaalsContact CG-OG 3.29Å; Q813-S930 WeakPolarHBondContact CG-OG 3.45Å; Q813-E932 HydrophobicContact CB-CB 4.32Å; Q813-E932 HydrophobicContact CB-CG 4.48Å; Q813-E932 HydrophobicContact CG-CB 4.38Å
814	L	97.2	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-44.5	176.5	-176.5	66.4	0	0	0	110.9	V810 R811 G812 A816 A817 F818 V923 V927 L1082 F1085 L1086	V810-L814 VanDerWaalsContact O-CB 3.28Å; V810-L814 WeakPolarHBondContact O-CB 3.42Å; V810-L814 PolarHBondContact O-N 2.95Å; R811-L814 WeakPolarHBondContact O-CB 3.19Å; R811-L814 PolarHBondContact O-N 3.45Å; G812-L814 PolarHBondContact O-N 2.89Å; L814-A816 VanDerWaalsContact C-N 3.34Å; L814-A816 PolarHBondContact O-N 3.34Å; L814-A817 PolarHBondContact O-N 3Å; L814-F818 HydrophobicContact CD1-CD2 4.05Å; L814-F818 HydrophobicContact CD1-CE2 3.63Å; L814-F818 HydrophobicContact CD2-CE2 4.11Å; L814-F818 HydrophobicContact CG-CD2 3.88Å; L814-F818 HydrophobicContact CG-CE2 3.63Å; L814-F818 VanDerWaalsContact O-CD2 3.25Å; L814-F818 WeakPolarHBondContact O-CD2 3.3Å; L814-F818 PolarHBondContact O-N 3.06Å; L814-V923 HydrophobicContact CD1-CG1 3.53Å; L814-V927 HydrophobicContact CB-CG2 4.44Å; L814-V927 HydrophobicContact CD1-CG2 3.82Å; L814-L1082 HydrophobicContact CD2-CD1 3.55Å; L814-L1082 HydrophobicContact CD2-CG 4.36Å; L814-L1082 HydrophobicContact CG-CD1 3.89Å; L814-F1085 HydrophobicContact CD1-CD1 3.77Å; L814-F1085 HydrophobicContact CD1-CE1 3.58Å; L814-F1085 HydrophobicContact CD2-CD1 3.84Å; L814-F1085 HydrophobicContact CD2-CE1 4.5Å; L814-F1085 HydrophobicContact CG-CD1 4.39Å; L814-L1086 HydrophobicContact CD2-CB 3.94Å; L814-L1086 HydrophobicContact CD2-CD1 4.16Å
815	L	97.9	Very high	97.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-56.1	-46.6	172.2	-76.7	170.9	0	0	0	111.8	E285 R811 G812 A817 F818 R819 I879 L1082	E285-L815 HydrophobicContact CG-CD1 4.2Å; R811-L815 PolarHBondContact O-N 2.95Å; G812-L815 WeakPolarHBondContact O-CB 3.48Å; G812-L815 PolarHBondContact O-N 3.23Å; L815-A817 PolarHBondContact O-N 3.01Å; L815-F818 PolarHBondContact O-N 3.33Å; L815-R819 WeakPolarHBondContact O-CG 3.39Å; L815-R819 PolarHBondContact O-N 3.01Å; L815-R819 VanDerWaalsContact O-N 3.17Å; L815-I879 HydrophobicContact CD2-CD1 4.31Å; L815-I879 HydrophobicContact CD2-CG2 3.81Å; L815-L1082 HydrophobicContact CD2-CD1 4.46Å; L815-L1082 HydrophobicContact CD2-CD2 3.56Å; L815-L1082 HydrophobicContact CG-CD2 3.92Å
816	A	97.2	Very high	96.9	Very high	34 Å²	34	23.6 Å²	23.6	28%	0.281	13%	0.134	S	C	.	.	H	α-helix	trans	-61.9	-41.5	175.8	0	0	0	0	0	112.2	G812 Q813 L814 R819 A820	G812-A816 PolarHBondContact O-N 3.4Å; G812-A816 VanDerWaalsContact O-N 3.12Å; Q813-A816 PolarHBondContact O-N 3.31Å; L814-A816 VanDerWaalsContact C-N 3.34Å; L814-A816 PolarHBondContact O-N 3.34Å; A816-R819 PolarHBondContact O-N 3.19Å; A816-A820 VanDerWaalsContact O-CB 3.31Å; A816-A820 WeakPolarHBondContact O-CB 3.45Å; A816-A820 PolarHBondContact O-N 3.47Å
817	A	97.9	Very high	97	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-42.5	179.3	0	0	0	0	0	112.8	Q813 L814 L815 A820 H821 V923 R926 V927	Q813-A817 WeakPolarHBondContact O-CB 3.42Å; Q813-A817 PolarHBondContact O-N 3.37Å; L814-A817 PolarHBondContact O-N 3Å; L815-A817 PolarHBondContact O-N 3.01Å; A817-A820 PolarHBondContact O-N 3.13Å; A817-H821 PolarHBondContact O-N 3.06Å; A817-V923 HydrophobicContact CB-CG1 4Å; A817-R926 HydrophobicContact CB-CB 3.86Å; A817-V927 HydrophobicContact CB-CG2 3.71Å
818	F	98.5	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-49.5	173.7	-85.6	-69.6	0	0	0	111.6	L814 L815 A820 H821 F822 I879 V900 I919 V923 L1080 L1082 F1085	L814-F818 HydrophobicContact CD1-CD2 4.05Å; L814-F818 HydrophobicContact CD1-CE2 3.63Å; L814-F818 HydrophobicContact CD2-CE2 4.11Å; L814-F818 HydrophobicContact CG-CD2 3.88Å; L814-F818 HydrophobicContact CG-CE2 3.63Å; L814-F818 VanDerWaalsContact O-CD2 3.25Å; L814-F818 WeakPolarHBondContact O-CD2 3.3Å; L814-F818 PolarHBondContact O-N 3.06Å; L815-F818 PolarHBondContact O-N 3.33Å; F818-A820 VanDerWaalsContact C-N 3.33Å; F818-A820 PolarHBondContact O-N 3.49Å; F818-H821 WeakPolarHBondContact O-CB 3.46Å; F818-H821 PolarHBondContact O-N 3.02Å; F818-F822 WeakPolarHBondContact O-CD2 3.25Å; F818-F822 PolarHBondContact O-N 2.82Å; F818-F822 VanDerWaalsContact O-N 3.09Å; F818-I879 HydrophobicContact CB-CD1 4.21Å; F818-V900 HydrophobicContact CD1-CG1 4.1Å; F818-V900 HydrophobicContact CE1-CG1 4.49Å; F818-V900 HydrophobicContact CG-CG1 4.48Å; F818-I919 HydrophobicContact CD1-CD1 3.88Å; F818-I919 HydrophobicContact CD1-CG1 4.06Å; F818-I919 HydrophobicContact CE1-CD1 3.98Å; F818-I919 HydrophobicContact CE1-CG1 3.96Å; F818-V923 HydrophobicContact CD1-CG1 4.28Å; F818-V923 HydrophobicContact CD1-CG2 3.67Å; F818-V923 HydrophobicContact CD2-CG1 4.03Å; F818-V923 HydrophobicContact CE1-CB 4.37Å; F818-V923 HydrophobicContact CE1-CG1 4.15Å; F818-V923 HydrophobicContact CE1-CG2 3.9Å; F818-V923 HydrophobicContact CE2-CG1 3.91Å; F818-V923 HydrophobicContact CG-CG1 4.2Å; F818-V923 HydrophobicContact CG-CG2 4.12Å; F818-V923 HydrophobicContact CZ-CG1 3.95Å; F818-L1080 HydrophobicContact CE1-CD1 3.78Å; F818-L1080 HydrophobicContact CE1-CD2 4.28Å; F818-L1080 HydrophobicContact CE2-CD2 4.24Å; F818-L1080 HydrophobicContact CZ-CD1 3.65Å; F818-L1080 HydrophobicContact CZ-CD2 3.7Å; F818-L1080 HydrophobicContact CZ-CG 4.4Å; F818-L1082 HydrophobicContact CD2-CD1 3.91Å; F818-L1082 HydrophobicContact CE2-CD1 3.72Å; F818-F1085 HydrophobicContact CE2-CD1 4.17Å; F818-F1085 HydrophobicContact CE2-CE1 4.32Å; F818-F1085 HydrophobicContact CZ-CD1 4.08Å; F818-F1085 HydrophobicContact CZ-CD2 4.23Å; F818-F1085 HydrophobicContact CZ-CE1 4.1Å; F818-F1085 HydrophobicContact CZ-CE2 4.22Å; F818-F1085 HydrophobicContact CZ-CG 4.12Å; F818-F1085 HydrophobicContact CZ-CZ 4.13Å
819	R	98.2	Very high	96.9	Very high	23 Å²	23	24.1 Å²	24.1	9%	0.087	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-39.8	178.2	-64.1	-166.7	-170.7	99.4	-8.2	112.2	E285 L815 A816 H821 F822 H823 E829 Y877 I879	E285-R819 VanDerWaalsContact CD-NH1 3.31Å; E285-R819 IonicContact OE1-CZ 3.93Å; E285-R819 VanDerWaalsContact OE1-CZ 3.31Å; E285-R819 IonicContact OE1-NH1 3.35Å; E285-R819 PolarHBondContact OE1-NH1 3.19Å; E285-R819 IonicContact OE1-NH2 3.3Å; E285-R819 PolarHBondContact OE1-NH2 3.35Å; E285-R819 IonicContact OE2-CZ 2.66Å; E285-R819 IonicContact OE2-NH1 3.56Å; E285-R819 PolarHBondContact OE2-NH1 3Å; E285-R819 IonicContact OE2-NH2 3.73Å; L815-R819 WeakPolarHBondContact O-CG 3.39Å; L815-R819 PolarHBondContact O-N 3.01Å; L815-R819 VanDerWaalsContact O-N 3.17Å; A816-R819 PolarHBondContact O-N 3.19Å; R819-H821 VanDerWaalsContact C-N 3.35Å; R819-H821 PolarHBondContact O-N 2.86Å; R819-F822 PolarHBondContact O-N 2.99Å; R819-H823 VanDerWaalsContact O-CB 3.28Å; R819-H823 WeakPolarHBondContact O-CB 3.19Å; R819-H823 PolarHBondContact O-N 2.94Å; R819-E829 IonicContact NE-OE1 2.99Å; R819-Y877 HydrophobicContact CG-CE2 4.13Å; R819-I879 HydrophobicContact CG-CD1 3.76Å
820	A	97.2	Very high	97	Very high	36 Å²	36	23.6 Å²	23.6	30%	0.298	14%	0.136	S	C	.	.	H	α-helix	trans	-63.6	-38.9	175.5	0	0	0	0	0	112.3	A816 A817 F818 S824	A816-A820 VanDerWaalsContact O-CB 3.31Å; A816-A820 WeakPolarHBondContact O-CB 3.45Å; A816-A820 PolarHBondContact O-N 3.47Å; A817-A820 PolarHBondContact O-N 3.13Å; F818-A820 VanDerWaalsContact C-N 3.33Å; F818-A820 PolarHBondContact O-N 3.49Å; A820-S824 VanDerWaalsContact O-CB 3.3Å; A820-S824 WeakPolarHBondContact O-CB 3.39Å; A820-S824 PolarHBondContact O-N 3.26Å; A820-S824 PolarHBondContact O-OG 3.4Å; A820-S824 VanDerWaalsContact O-OG 3.05Å
821	H	98.4	Very high	97	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-53.9	173.1	170.8	91.8	0	0	0	111	A817 F818 R819 S824 R825 D918 I919 D922 V923	A817-H821 PolarHBondContact O-N 3.06Å; F818-H821 WeakPolarHBondContact O-CB 3.46Å; F818-H821 PolarHBondContact O-N 3.02Å; R819-H821 VanDerWaalsContact C-N 3.35Å; R819-H821 PolarHBondContact O-N 2.86Å; H821-S824 PolarHBondContact O-N 3.38Å; H821-S824 PolarHBondContact O-OG 3.12Å; H821-R825 VanDerWaalsContact CE1-CD 3.45Å; H821-R825 WeakPolarHBondContact CE1-CD 3.42Å; H821-R825 PolarHBondContact CE1-NE 3.13Å; H821-R825 PolarHBondContact CE1-NH1 2.91Å; H821-R825 PolarHBondContact CE1-NH2 3.22Å; H821-R825 PolarHBondContact ND1-NH1 3.31Å; H821-R825 WeakPolarHBondContact NE2-CD 3.41Å; H821-R825 PolarHBondContact O-N 3.13Å; H821-R825 PolarHBondContact O-NH1 2.91Å; H821-D918 IonicContact CE1-OD2 3.38Å; H821-I919 WeakPolarHBondContact CE1-CA 3.46Å; H821-I919 WeakPolarHBondContact NE2-CB 3.24Å; H821-D922 IonicContact CE1-OD2 2.96Å; H821-D922 IonicContact CG-OD2 3.56Å; H821-D922 IonicContact ND1-OD2 3.51Å; H821-D922 PolarHBondContact ND1-OD2 2.82Å; H821-V923 HydrophobicContact CB-CG2 3.89Å
822	F	98.2	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-48.4	-179.6	-76.4	-56.8	0	0	0	112.7	F818 R819 S824 R825 G826 Y827 Y877 V900 A902 I919 Y1078	F818-F822 WeakPolarHBondContact O-CD2 3.25Å; F818-F822 PolarHBondContact O-N 2.82Å; F818-F822 VanDerWaalsContact O-N 3.09Å; R819-F822 PolarHBondContact O-N 2.99Å; F822-S824 PolarHBondContact O-N 2.99Å; F822-R825 CarbonylContact O-C 3.49Å; F822-R825 PolarHBondContact O-N 3.29Å; F822-R825 VanDerWaalsContact O-N 3.08Å; F822-G826 PolarHBondContact O-N 3.44Å; F822-Y827 HydrophobicContact CB-CG 4.4Å; F822-Y827 AromaticContact CD1-CD1 3.7Å; F822-Y827 HydrophobicContact CD1-CD1 3.7Å; F822-Y827 AromaticContact CD1-CD2 3.99Å; F822-Y827 HydrophobicContact CD1-CD2 3.99Å; F822-Y827 HydrophobicContact CD1-CE1 4.07Å; F822-Y827 HydrophobicContact CD1-CE2 4.34Å; F822-Y827 AromaticContact CD1-CG 3.66Å; F822-Y827 HydrophobicContact CD1-CG 3.66Å; F822-Y827 HydrophobicContact CE1-CD1 4.07Å; F822-Y827 HydrophobicContact CE1-CE1 4.09Å; F822-Y827 HydrophobicContact CE1-CG 4.47Å; F822-Y827 HydrophobicContact CG-CG 4.47Å; F822-Y827 PolarHBondContact O-N 3.27Å; F822-Y877 HydrophobicContact CB-CD1 3.7Å; F822-Y877 HydrophobicContact CB-CD2 4.25Å; F822-Y877 HydrophobicContact CB-CE1 3.57Å; F822-Y877 HydrophobicContact CB-CE2 4.14Å; F822-Y877 HydrophobicContact CB-CG 4.02Å; F822-Y877 HydrophobicContact CD1-CD1 4.27Å; F822-Y877 HydrophobicContact CD1-CD2 4.48Å; F822-Y877 AromaticContact CD1-CG 4Å; F822-Y877 HydrophobicContact CD1-CG 4Å; F822-Y877 HydrophobicContact CD2-CD1 4.14Å; F822-Y877 AromaticContact CD2-CD2 3.2Å; F822-Y877 HydrophobicContact CD2-CD2 3.2Å; F822-Y877 HydrophobicContact CD2-CE1 4.36Å; F822-Y877 AromaticContact CD2-CE2 3.48Å; F822-Y877 HydrophobicContact CD2-CE2 3.48Å; F822-Y877 VanDerWaalsContact CD2-CE2 3.48Å; F822-Y877 AromaticContact CD2-CG 3.55Å; F822-Y877 HydrophobicContact CD2-CG 3.55Å; F822-Y877 HydrophobicContact CE1-CG 4.34Å; F822-Y877 AromaticContact CE2-CD2 3.53Å; F822-Y877 HydrophobicContact CE2-CD2 3.53Å; F822-Y877 HydrophobicContact CE2-CE2 4.16Å; F822-Y877 AromaticContact CE2-CG 3.93Å; F822-Y877 HydrophobicContact CE2-CG 3.93Å; F822-Y877 AromaticContact CG-CD1 3.8Å; F822-Y877 HydrophobicContact CG-CD1 3.8Å; F822-Y877 AromaticContact CG-CD2 3.75Å; F822-Y877 HydrophobicContact CG-CD2 3.75Å; F822-Y877 HydrophobicContact CG-CE1 4.09Å; F822-Y877 HydrophobicContact CG-CE2 4.05Å; F822-Y877 AromaticContact CG-CG 3.59Å; F822-Y877 HydrophobicContact CG-CG 3.59Å; F822-Y877 HydrophobicContact CZ-CD2 4.29Å; F822-Y877 HydrophobicContact CZ-CG 4.3Å; F822-V900 HydrophobicContact CE2-CG1 3.79Å; F822-V900 HydrophobicContact CZ-CG1 4.22Å; F822-A902 HydrophobicContact CE1-CB 3.62Å; F822-A902 HydrophobicContact CZ-CB 3.8Å; F822-I919 HydrophobicContact CE1-CD1 3.91Å; F822-I919 HydrophobicContact CE2-CD1 3.88Å; F822-I919 HydrophobicContact CZ-CD1 3.4Å; F822-Y1078 WeakPolarHBondContact CE1-OH 3.41Å; F822-Y1078 HydrophobicContact CZ-CE2 4.47Å
823	H	94.4	Very high	97	Very high	125 Å²	125	24.3 Å²	24.3	58%	0.579	14%	0.139	S	C	*	.	H	α-helix	trans	-59.8	-44.9	179	-178.7	-104.3	0	0	0	111.6	R819 R825 G826	R819-H823 VanDerWaalsContact O-CB 3.28Å; R819-H823 WeakPolarHBondContact O-CB 3.19Å; R819-H823 PolarHBondContact O-N 2.94Å; H823-R825 PolarHBondContact O-N 3.39Å; H823-R825 VanDerWaalsContact O-N 3.14Å; H823-G826 PolarHBondContact O-N 3.3Å
824	S	95.1	Very high	97	Very high	69 Å²	69	22.3 Å²	22.3	48%	0.483	13%	0.13	S	C	.	.	H	α-helix	trans	-64.1	-19.9	178.5	67.6	0	0	0	0	113.9	A820 H821 F822 R926	A820-S824 VanDerWaalsContact O-CB 3.3Å; A820-S824 WeakPolarHBondContact O-CB 3.39Å; A820-S824 PolarHBondContact O-N 3.26Å; A820-S824 PolarHBondContact O-OG 3.4Å; A820-S824 VanDerWaalsContact O-OG 3.05Å; H821-S824 PolarHBondContact O-N 3.38Å; H821-S824 PolarHBondContact O-OG 3.12Å; F822-S824 PolarHBondContact O-N 2.99Å; S824-R926 PolarHBondContact OG-NH2 3.4Å
825	R	95	Very high	96.9	Very high	64 Å²	64	22.4 Å²	22.4	24%	0.242	13%	0.131	C	C	.	.	H	α-helix	trans	-99.4	-5.2	176.5	-72.6	163.6	179.5	76.8	-4.5	113.5	R136 H821 F822 H823 Y827 D918 D922	R136-R825 PolarHBondContact NH2-O 2.81Å; H821-R825 VanDerWaalsContact CE1-CD 3.45Å; H821-R825 WeakPolarHBondContact CE1-CD 3.42Å; H821-R825 PolarHBondContact CE1-NE 3.13Å; H821-R825 PolarHBondContact CE1-NH1 2.91Å; H821-R825 PolarHBondContact CE1-NH2 3.22Å; H821-R825 PolarHBondContact ND1-NH1 3.31Å; H821-R825 WeakPolarHBondContact NE2-CD 3.41Å; H821-R825 PolarHBondContact O-N 3.13Å; H821-R825 PolarHBondContact O-NH1 2.91Å; F822-R825 CarbonylContact O-C 3.49Å; F822-R825 PolarHBondContact O-N 3.29Å; F822-R825 VanDerWaalsContact O-N 3.08Å; H823-R825 PolarHBondContact O-N 3.39Å; H823-R825 VanDerWaalsContact O-N 3.14Å; R825-Y827 HydrophobicContact CB-CD2 3.88Å; R825-Y827 HydrophobicContact CB-CE2 3.89Å; R825-D918 IonicContact CZ-OD2 3.57Å; R825-D918 IonicContact NE-OD2 2.79Å; R825-D918 PolarHBondContact NE-OD2 2.89Å; R825-D918 VanDerWaalsContact NH2-CG 3.29Å; R825-D918 IonicContact NH2-OD1 3.68Å; R825-D918 PolarHBondContact NH2-OD1 2.99Å; R825-D918 IonicContact NH2-OD2 3.71Å; R825-D918 PolarHBondContact NH2-OD2 2.78Å; R825-D922 IonicContact CZ-OD2 2.8Å; R825-D922 IonicContact NH1-OD2 3.97Å; R825-D922 PolarHBondContact NH1-OD2 2.9Å; R825-D922 IonicContact NH2-OD1 3.26Å; R825-D922 IonicContact NH2-OD2 2.77Å; R825-D922 PolarHBondContact NH2-OD2 2.81Å
826	G	93.3	Very high	96.7	Very high	23 Å²	23	22.5 Å²	22.5	24%	0.237	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	16.1	176.2	0	0	0	0	0	117.3	F822 H823	F822-G826 PolarHBondContact O-N 3.44Å; H823-G826 PolarHBondContact O-N 3.3Å
827	Y	97.3	Very high	96.5	Very high	18 Å²	18	26.1 Å²	26.1	7%	0.071	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-74.3	143.1	177.8	-72.7	-118.5	0	0	0	110.1	F822 R825 D875 A902 C904 R915	F822-Y827 HydrophobicContact CB-CG 4.4Å; F822-Y827 AromaticContact CD1-CD1 3.7Å; F822-Y827 HydrophobicContact CD1-CD1 3.7Å; F822-Y827 AromaticContact CD1-CD2 3.99Å; F822-Y827 HydrophobicContact CD1-CD2 3.99Å; F822-Y827 HydrophobicContact CD1-CE1 4.07Å; F822-Y827 HydrophobicContact CD1-CE2 4.34Å; F822-Y827 AromaticContact CD1-CG 3.66Å; F822-Y827 HydrophobicContact CD1-CG 3.66Å; F822-Y827 HydrophobicContact CE1-CD1 4.07Å; F822-Y827 HydrophobicContact CE1-CE1 4.09Å; F822-Y827 HydrophobicContact CE1-CG 4.47Å; F822-Y827 HydrophobicContact CG-CG 4.47Å; F822-Y827 PolarHBondContact O-N 3.27Å; R825-Y827 HydrophobicContact CB-CD2 3.88Å; R825-Y827 HydrophobicContact CB-CE2 3.89Å; Y827-D875 CarbonylContact C-O 3.17Å; Y827-D875 WeakPolarHBondContact CA-O 3.38Å; Y827-D875 HydrophobicContact CD1-CB 3.69Å; Y827-D875 HydrophobicContact CD2-CB 4.05Å; Y827-D875 HydrophobicContact CE1-CB 3.75Å; Y827-D875 HydrophobicContact CE2-CB 4.09Å; Y827-D875 HydrophobicContact CG-CB 3.84Å; Y827-A902 HydrophobicContact CE1-CB 4.17Å; Y827-C904 PolarHBondContact OH-SG 3.31Å; Y827-R915 PolarHBondContact OH-NH1 3.26Å
828	C	96.3	Very high	96.1	Very high	19 Å²	19	26.4 Å²	26.4	13%	0.128	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125	171.7	-166.1	0	0	0	0	110	L873 D875 V876 Y877	C828-L873 HydrophobicContact CB-CB 4.16Å; C828-D875 PolarHBondContact N-O 3.02Å; C828-V876 HydrophobicContact CB-CG1 4.36Å; C828-V876 WeakPolarHBondContact O-CA 3.33Å; C828-Y877 PolarHBondContact O-N 3.2Å
829	E	98.2	Very high	95.6	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.065	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.6	172.2	-167.8	175.6	171.1	0	0	109.2	L271 R275 R819 Y877	L271-E829 HydrophobicContact CD1-CG 4.14Å; R275-E829 IonicContact CZ-OE1 3.95Å; R275-E829 VanDerWaalsContact CZ-OE1 3.31Å; R275-E829 IonicContact CZ-OE2 3.81Å; R275-E829 VanDerWaalsContact NH1-CD 3.32Å; R275-E829 IonicContact NH1-OE1 3.97Å; R275-E829 PolarHBondContact NH1-OE1 3.45Å; R275-E829 IonicContact NH1-OE2 3.28Å; R275-E829 PolarHBondContact NH1-OE2 3Å; R275-E829 IonicContact NH2-OE1 3.95Å; R275-E829 PolarHBondContact NH2-OE1 3.08Å; R819-E829 IonicContact NE-OE1 2.99Å; E829-Y877 VanDerWaalsContact CA-CE1 3.47Å; E829-Y877 WeakPolarHBondContact CA-O 3.22Å; E829-Y877 HydrophobicContact CB-CD1 4.24Å; E829-Y877 HydrophobicContact CB-CE1 3.49Å; E829-Y877 VanDerWaalsContact CB-CE1 3.49Å; E829-Y877 HydrophobicContact CB-CE2 4.4Å; E829-Y877 HydrophobicContact CG-CE1 4.05Å; E829-Y877 HydrophobicContact CG-CE2 4.05Å; E829-Y877 PolarHBondContact OE2-OH 2.7Å
830	V	98	Very high	94.9	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.048	16%	0.155	C	C	.	.			trans	-120.7	156.6	176.6	-62.3	0	0	0	0	111.2	P832 L866 L873 V876 Y877 C878	V830-P832 WeakPolarHBondContact O-CD 3.33Å; V830-L866 HydrophobicContact CG2-CD2 3.33Å; V830-L873 HydrophobicContact CG1-CD1 3.53Å; V830-V876 HydrophobicContact CG1-CG1 4.4Å; V830-V876 HydrophobicContact CG2-CB 4.48Å; V830-Y877 PolarHBondContact N-O 2.92Å; V830-C878 HydrophobicContact CG2-CB 4.4Å; V830-C878 VanDerWaalsContact O-CB 3.24Å; V830-C878 WeakPolarHBondContact O-CB 3.5Å
831	T	97.7	Very high	94.1	Very high	18 Å²	18	29.8 Å²	29.8	11%	0.11	16%	0.155	C	C	.	.			trans	-116.5	93.4	175.6	-42.7	0	0	0	0	109.2	R267 M337	R267-T831 PolarHBondContact NE-OG1 2.79Å; R267-T831 VanDerWaalsContact NH2-CB 3.31Å; R267-T831 PolarHBondContact NH2-OG1 3.02Å; M337-T831 HydrophobicContact CE-CG2 3.69Å; M337-T831 HydrophobicContact SD-CG2 3.82Å
832	P	97.6	Very high	93.1	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.019	17%	0.17	C	C	.	.			trans	-72.4	157.1	175.2	29.6	-32.2	0	0	0	111.4	V830 S862 Y865 C878	V830-P832 WeakPolarHBondContact O-CD 3.33Å; P832-S862 VanDerWaalsContact CG-OG 3.25Å; P832-S862 WeakPolarHBondContact CG-OG 3.46Å; P832-Y865 HydrophobicContact CB-CD2 4.26Å; P832-Y865 HydrophobicContact CB-CG 4.37Å; P832-C878 HydrophobicContact CG-CB 4.09Å
833	P	96.6	Very high	92.1	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.032	19%	0.192	C	C	.	.			trans	-71.2	143.2	176.5	31.6	-35.9	0	0	0	110.8	Y557 Y865	Y557-P833 HydrophobicContact CD2-CG 4.35Å; P833-Y865 HydrophobicContact CG-CD1 4.31Å; P833-Y865 HydrophobicContact CG-CD2 4.1Å; P833-Y865 HydrophobicContact CG-CE1 3.92Å; P833-Y865 HydrophobicContact CG-CE2 3.7Å; P833-Y865 HydrophobicContact CG-CG 4.39Å
834	T	97	Very high	91.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	20%	0.199	C	C	.	.	S	Bend	trans	-98.8	-17.5	175.5	62.4	0	0	0	0	112.8	M337 Y339 E352 L858 T859 Y883	M337-T834 HydrophobicContact CG-CG2 4.27Å; Y339-T834 VanDerWaalsContact CE1-OG1 3.3Å; Y339-T834 WeakPolarHBondContact CE1-OG1 3.41Å; Y339-T834 PolarHBondContact OH-OG1 2.76Å; E352-T834 WeakPolarHBondContact OE1-CB 3.35Å; E352-T834 PolarHBondContact OE1-N 2.92Å; E352-T834 PolarHBondContact OE1-OG1 3.07Å; E352-T834 PolarHBondContact OE2-N 3.08Å; T834-L858 WeakPolarHBondContact O-CA 3.48Å; T834-T859 HydrophobicContact CG2-CG2 4.12Å; T834-T859 PolarHBondContact O-N 2.79Å; T834-Y883 HydrophobicContact CG2-CE2 4.49Å
835	M	95.1	Very high	90.6	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	113.8	168.9	-63.3	-172.1	-57.1	0	0	110.2	F303 L314 Y339 E352 R559 F849 Y851	F303-M835 HydrophobicContact CE2-SD 4.31Å; L314-M835 HydrophobicContact CD1-SD 4.41Å; Y339-M835 HydrophobicContact CD1-CE 4.49Å; Y339-M835 HydrophobicContact CD1-CG 4.26Å; Y339-M835 HydrophobicContact CD1-SD 3.98Å; Y339-M835 HydrophobicContact CE1-CG 4.15Å; Y339-M835 HydrophobicContact CE1-SD 4.47Å; E352-M835 HydrophobicContact CB-CE 3.42Å; E352-M835 VanDerWaalsContact CB-CE 3.42Å; E352-M835 HydrophobicContact CG-CE 4.48Å; R559-M835 HydrophobicContact CB-CE 3.61Å; R559-M835 HydrophobicContact CG-CE 3.64Å; R559-M835 PolarHBondContact NE-O 3.43Å; R559-M835 PolarHBondContact NH2-O 3.32Å; M835-F849 HydrophobicContact CB-CZ 3.87Å; M835-F849 HydrophobicContact CG-CE1 4.36Å; M835-F849 HydrophobicContact CG-CE2 4.4Å; M835-F849 HydrophobicContact CG-CZ 3.61Å; M835-F849 HydrophobicContact SD-CE2 4.03Å; M835-F849 HydrophobicContact SD-CZ 3.83Å; M835-Y851 HydrophobicContact CE-CD2 4.36Å; M835-Y851 HydrophobicContact CE-CE2 3.72Å; M835-Y851 HydrophobicContact SD-CD2 4.13Å; M835-Y851 HydrophobicContact SD-CE2 4.08Å
836	V	94.4	Very high	90.3	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.4	-169.7	-55.6	0	0	0	0	112.6	T838 Y857 Y865	V836-T838 WeakPolarHBondContact CG2-O 3.3Å; V836-Y857 WeakPolarHBondContact CG2-O 3.36Å; V836-Y857 PolarHBondContact N-O 3.19Å; V836-Y857 PolarHBondContact O-N 3.12Å; V836-Y865 HydrophobicContact CG1-CE2 3.71Å
837	Q	91.4	Very high	90.3	Very high	110 Å²	110	27.6 Å²	27.6	51%	0.514	17%	0.169	S	C	.	.	S	Bend	trans	-111.6	8.9	172	-72.4	173.7	-34.5	0	0	112.3	E854	Q837-E854 PolarHBondContact NE2-OE2 2.95Å
838	T	89.6	Confident	90.1	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.055	19%	0.187	C	C	.	.			trans	-124.2	142.2	-174.8	54.6	0	0	0	0	111.6	V836 P1060 Y1061 W1063	V836-T838 WeakPolarHBondContact CG2-O 3.3Å; T838-P1060 HydrophobicContact CG2-CB 4.33Å; T838-Y1061 HydrophobicContact CG2-CD1 4.09Å; T838-Y1061 HydrophobicContact CG2-CD2 4.44Å; T838-Y1061 HydrophobicContact CG2-CE1 3.8Å; T838-Y1061 HydrophobicContact CG2-CE2 4.16Å; T838-Y1061 HydrophobicContact CG2-CG 4.41Å; T838-W1063 HydrophobicContact CG2-CZ2 3.96Å
839	Q	88.6	Confident	89.9	Confident	57 Å²	57	31.4 Å²	31.4	27%	0.266	18%	0.183	S	C	.	.			trans	-86.1	151.7	170	62.1	-179.6	-29.5	0	0	111.7	G843 L846 Y1061	Q839-G843 VanDerWaalsContact OE1-CA 3.23Å; Q839-L846 HydrophobicContact CB-CD1 3.97Å; Q839-Y1061 VanDerWaalsContact CG-OH 3.24Å; Q839-Y1061 WeakPolarHBondContact CG-OH 3.45Å; Q839-Y1061 PolarHBondContact N-OH 2.91Å; Q839-Y1061 PolarHBondContact O-OH 3.41Å
840	V	84.3	Confident	89.5	Confident	8 Å²	8	35.5 Å²	35.5	5%	0.048	21%	0.206	C	C	.	.	S	Bend	trans	-124.6	-50.9	177.6	-173.8	0	0	0	0	111.8	L864 Y1010	V840-L864 HydrophobicContact CG1-CD2 4.45Å; V840-L864 HydrophobicContact CG1-CG 4.25Å; V840-L864 HydrophobicContact CG2-CD1 3.82Å; V840-L864 HydrophobicContact CG2-CG 3.99Å; V840-Y1010 HydrophobicContact CG1-CE1 4.12Å
841	E	80.1	Confident	89.1	Confident	64 Å²	64	36.3 Å²	36.3	30%	0.299	21%	0.208	S	C	.	.	S	Bend	trans	-108.7	28.1	-174.5	-62.6	-60.3	160.9	0	0	112.5	Q860 S1008 Y1010	E841-Q860 HydrophobicContact CB-CB 4.45Å; E841-S1008 PolarHBondContact OE2-OG 3.43Å; E841-Y1010 PolarHBondContact OE1-OH 3.28Å
842	G	77.4	Confident	88.5	Confident	31 Å²	31	38.9 Å²	38.9	32%	0.32	22%	0.216	S	C	.	.			trans	95.3	147.5	179.7	0	0	0	0	0	114.2	S844 Q860	G842-S844 VanDerWaalsContact C-N 3.31Å; G842-S844 PolarHBondContact O-N 3.41Å; G842-Q860 PolarHBondContact O-NE2 3.19Å
843	G	77.1	Confident	87.9	Confident	45 Å²	45	41.8 Å²	41.8	46%	0.464	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-76.8	-6.7	-169.5	0	0	0	0	0	116.3	Q839 T845	Q839-G843 VanDerWaalsContact OE1-CA 3.23Å; G843-T845 VanDerWaalsContact C-N 3.34Å; G843-T845 PolarHBondContact O-N 2.86Å
844	S	77	Confident	87.4	Confident	105 Å²	105	45.8 Å²	45.8	73%	0.734	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-78	-14	-173.8	57	0	0	0	0	114.6	G842	G842-S844 VanDerWaalsContact C-N 3.31Å; G842-S844 PolarHBondContact O-N 3.41Å
845	T	79.6	Confident	87.1	Confident	24 Å²	24	50 Å²	50	15%	0.147	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-122.3	25	-173.7	61.1	0	0	0	0	113.3	G843 Q860 A885 E886	G843-T845 VanDerWaalsContact C-N 3.34Å; G843-T845 PolarHBondContact O-N 2.86Å; T845-Q860 PolarHBondContact OG1-NE2 3.34Å; T845-A885 PolarHBondContact O-N 2.84Å; T845-E886 HydrophobicContact CG2-CG 4.04Å
846	L	89.1	Confident	87.1	Confident	28 Å²	28	50 Å²	50	15%	0.147	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-87.6	134.2	175.6	-68.8	168.3	0	0	0	111.7	Q839 Y857 Q860	Q839-L846 HydrophobicContact CB-CD1 3.97Å; L846-Y857 HydrophobicContact CB-CD1 3.81Å; L846-Y857 HydrophobicContact CB-CG 4.2Å; L846-Y857 HydrophobicContact CD1-CD1 4.03Å; L846-Y857 HydrophobicContact CD1-CD2 4.25Å; L846-Y857 HydrophobicContact CD1-CE1 4.35Å; L846-Y857 HydrophobicContact CD1-CG 3.99Å; L846-Y857 HydrophobicContact CD2-CG 4.42Å; L846-Y857 HydrophobicContact CG-CD1 4.44Å; L846-Y857 HydrophobicContact CG-CG 4.45Å; L846-Q860 HydrophobicContact CD2-CG 3.68Å
847	F	93.1	Very high	87.1	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.026	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-83.2	121	162.9	-74	-75.5	0	0	0	109	M291 F305 Y307 Y308 Y857 L858 A885	M291-F847 HydrophobicContact SD-CE2 4.31Å; F305-F847 HydrophobicContact CD2-CD1 4.28Å; F305-F847 HydrophobicContact CE2-CD1 4.2Å; Y307-F847 HydrophobicContact CD2-CD1 4.4Å; Y307-F847 AromaticContact CD2-CE1 3.57Å; Y307-F847 HydrophobicContact CD2-CE1 3.57Å; Y307-F847 AromaticContact CD2-CZ 3.85Å; Y307-F847 HydrophobicContact CD2-CZ 3.85Å; Y307-F847 AromaticContact CE2-CE1 3.97Å; Y307-F847 HydrophobicContact CE2-CE1 3.97Å; Y307-F847 AromaticContact CE2-CZ 3.73Å; Y307-F847 HydrophobicContact CE2-CZ 3.73Å; Y308-F847 HydrophobicContact CD2-CE1 4.38Å; Y308-F847 AromaticContact CE2-CE1 3.97Å; Y308-F847 HydrophobicContact CE2-CE1 3.97Å; Y308-F847 AromaticContact CE2-CZ 3.7Å; Y308-F847 HydrophobicContact CE2-CZ 3.7Å; Y308-F847 AromaticContact CZ-CZ 3.81Å; F847-Y857 CarbonylContact O-C 3.51Å; F847-Y857 WeakPolarHBondContact O-CA 3.31Å; F847-L858 HydrophobicContact CB-CB 4.26Å; F847-L858 HydrophobicContact CB-CD1 3.88Å; F847-L858 HydrophobicContact CB-CG 4.2Å; F847-L858 HydrophobicContact CG-CD1 4.45Å; F847-L858 PolarHBondContact O-N 3.01Å; F847-A885 HydrophobicContact CD1-CB 4.09Å; F847-A885 HydrophobicContact CD2-CB 4.01Å; F847-A885 HydrophobicContact CE1-CB 3.9Å; F847-A885 HydrophobicContact CE2-CB 3.84Å; F847-A885 HydrophobicContact CG-CB 4.14Å; F847-A885 HydrophobicContact CZ-CB 3.78Å
848	K	93.3	Very high	87.3	Confident	107 Å²	107	47.2 Å²	47.2	47%	0.465	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.8	-177.3	175.3	175.4	170.9	160.8	0	111	E855 A856 Y857	K848-E855 HydrophobicContact CD-CG 4.18Å; K848-E855 WeakPolarHBondContact CD-OE1 3.08Å; K848-E855 VanDerWaalsContact CE-OE1 3.3Å; K848-E855 WeakPolarHBondContact CE-OE1 3.41Å; K848-E855 WeakPolarHBondContact CE-OE2 3.36Å; K848-E855 HydrophobicContact CG-CG 4.24Å; K848-E855 IonicContact NZ-OE1 3.56Å; K848-E855 PolarHBondContact NZ-OE1 2.87Å; K848-E855 IonicContact NZ-OE2 3.65Å; K848-E855 PolarHBondContact NZ-OE2 2.83Å; K848-A856 WeakPolarHBondContact CA-O 3.41Å; K848-Y857 HydrophobicContact CB-CD1 3.94Å; K848-Y857 HydrophobicContact CB-CE1 4.02Å; K848-Y857 HydrophobicContact CD-CE1 4.31Å; K848-Y857 HydrophobicContact CG-CD1 4.35Å; K848-Y857 HydrophobicContact CG-CE1 4.1Å
849	F	91.8	Very high	87.6	Confident	9 Å²	9	46.9 Å²	46.9	4%	0.039	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	163.7	175	71.1	-85	0	0	0	112	F303 F305 M835 Y851 A856 Y857 L858	F303-F849 HydrophobicContact CD1-CD2 4.24Å; F303-F849 HydrophobicContact CD1-CE2 4.2Å; F305-F849 HydrophobicContact CB-CB 3.65Å; M835-F849 HydrophobicContact CB-CZ 3.87Å; M835-F849 HydrophobicContact CG-CE1 4.36Å; M835-F849 HydrophobicContact CG-CE2 4.4Å; M835-F849 HydrophobicContact CG-CZ 3.61Å; M835-F849 HydrophobicContact SD-CE2 4.03Å; M835-F849 HydrophobicContact SD-CZ 3.83Å; F849-Y851 HydrophobicContact CE2-CD2 4.05Å; F849-Y851 HydrophobicContact CE2-CG 4.44Å; F849-A856 HydrophobicContact CD1-CB 4.35Å; F849-A856 HydrophobicContact CD2-CB 4.44Å; F849-A856 HydrophobicContact CE1-CB 3.81Å; F849-A856 HydrophobicContact CE2-CB 3.91Å; F849-A856 HydrophobicContact CZ-CB 3.54Å; F849-A856 PolarHBondContact N-O 3.18Å; F849-A856 PolarHBondContact O-N 2.89Å; F849-Y857 VanDerWaalsContact CE1-C 3.46Å; F849-L858 HydrophobicContact CD1-CD2 4.36Å; F849-L858 HydrophobicContact CD1-CG 4.38Å; F849-L858 HydrophobicContact CE1-CD2 3.98Å; F849-L858 HydrophobicContact CE1-CG 4.35Å
850	D	90.6	Very high	87.9	Confident	100 Å²	100	44.3 Å²	44.3	54%	0.535	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.2	175.5	179.7	63.6	0	0	0	110.1	G853	D850-G853 WeakPolarHBondContact OD1-CA 3.4Å; D850-G853 PolarHBondContact OD1-N 2.92Å; D850-G853 VanDerWaalsContact OD1-N 3.1Å; D850-G853 PolarHBondContact OD2-N 2.86Å
851	Y	89	Confident	88.5	Confident	25 Å²	25	44.1 Å²	44.1	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	83.6	174.6	-173.4	-101.6	0	0	0	108.9	F303 S351 F560 M835 F849 G853 E854 A856	F303-Y851 AromaticContact CE1-CD2 3.67Å; F303-Y851 HydrophobicContact CE1-CD2 3.67Å; F303-Y851 HydrophobicContact CE1-CE2 4.11Å; F303-Y851 AromaticContact CZ-CD2 3.87Å; F303-Y851 HydrophobicContact CZ-CD2 3.87Å; F303-Y851 AromaticContact CZ-CE2 3.82Å; F303-Y851 HydrophobicContact CZ-CE2 3.82Å; S351-Y851 PolarHBondContact OG-OH 2.84Å; F560-Y851 PolarHBondContact N-OH 3.5Å; F560-Y851 PolarHBondContact O-OH 3.12Å; M835-Y851 HydrophobicContact CE-CD2 4.36Å; M835-Y851 HydrophobicContact CE-CE2 3.72Å; M835-Y851 HydrophobicContact SD-CD2 4.13Å; M835-Y851 HydrophobicContact SD-CE2 4.08Å; F849-Y851 HydrophobicContact CE2-CD2 4.05Å; F849-Y851 HydrophobicContact CE2-CG 4.44Å; Y851-G853 VanDerWaalsContact C-N 3.32Å; Y851-G853 PolarHBondContact O-N 2.86Å; Y851-E854 PolarHBondContact N-O 3.05Å; Y851-E854 WeakPolarHBondContact O-CB 3.44Å; Y851-E854 PolarHBondContact O-N 3.2Å; Y851-E854 VanDerWaalsContact O-N 3.08Å; Y851-A856 HydrophobicContact CG-CB 4.47Å
852	Y	86.7	Confident	89.4	Confident	72 Å²	72	41 Å²	41	28%	0.282	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.9	178.1	-49.9	-67.7	0	0	0	114.3	F303 A341 E342 S351 V561	F303-Y852 HydrophobicContact CE1-CE1 4.35Å; F303-Y852 HydrophobicContact CE1-CE2 4.08Å; F303-Y852 AromaticContact CE1-CZ 3.95Å; F303-Y852 HydrophobicContact CZ-CE1 4.33Å; F303-Y852 AromaticContact CZ-CE2 3.79Å; F303-Y852 HydrophobicContact CZ-CE2 3.79Å; F303-Y852 AromaticContact CZ-CZ 3.56Å; F303-Y852 WeakPolarHBondContact CZ-OH 3.39Å; A341-Y852 VanDerWaalsContact CA-OH 3.31Å; A341-Y852 WeakPolarHBondContact CA-OH 3.44Å; A341-Y852 HydrophobicContact CB-CE1 4.39Å; E342-Y852 PolarHBondContact N-OH 3.1Å; E342-Y852 PolarHBondContact O-OH 3.3Å; S351-Y852 WeakPolarHBondContact OG-CE2 3.29Å; S351-Y852 PolarHBondContact OG-OH 3.48Å; V561-Y852 HydrophobicContact CB-CE2 4.39Å; V561-Y852 HydrophobicContact CG2-CD1 3.46Å; V561-Y852 VanDerWaalsContact CG2-CD1 3.46Å; V561-Y852 HydrophobicContact CG2-CD2 3.63Å; V561-Y852 HydrophobicContact CG2-CE1 3.12Å; V561-Y852 HydrophobicContact CG2-CE2 3.29Å; V561-Y852 HydrophobicContact CG2-CG 3.69Å; V561-Y852 WeakPolarHBondContact CG2-OH 3.49Å
853	G	84.2	Confident	90.3	Very high	65 Å²	65	40.1 Å²	40.1	67%	0.67	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.3	-8.9	-177.4	0	0	0	0	0	114.5	D850 Y851	D850-G853 WeakPolarHBondContact OD1-CA 3.4Å; D850-G853 PolarHBondContact OD1-N 2.92Å; D850-G853 VanDerWaalsContact OD1-N 3.1Å; D850-G853 PolarHBondContact OD2-N 2.86Å; Y851-G853 VanDerWaalsContact C-N 3.32Å; Y851-G853 PolarHBondContact O-N 2.86Å
854	E	87.1	Confident	91.3	Very high	89 Å²	89	38 Å²	38	42%	0.416	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.4	172.8	-59.7	-171.4	168.3	0	0	111.8	Q837 Y851 A856	Q837-E854 PolarHBondContact NE2-OE2 2.95Å; Y851-E854 PolarHBondContact N-O 3.05Å; Y851-E854 WeakPolarHBondContact O-CB 3.44Å; Y851-E854 PolarHBondContact O-N 3.2Å; Y851-E854 VanDerWaalsContact O-N 3.08Å; E854-A856 PolarHBondContact O-N 3.24Å
855	E	90.7	Very high	92.3	Very high	91 Å²	91	33.9 Å²	33.9	43%	0.425	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.9	172.8	-179.3	163.3	162.1	0	0	110.4	K848 Y857	K848-E855 HydrophobicContact CD-CG 4.18Å; K848-E855 WeakPolarHBondContact CD-OE1 3.08Å; K848-E855 VanDerWaalsContact CE-OE1 3.3Å; K848-E855 WeakPolarHBondContact CE-OE1 3.41Å; K848-E855 WeakPolarHBondContact CE-OE2 3.36Å; K848-E855 HydrophobicContact CG-CG 4.24Å; K848-E855 IonicContact NZ-OE1 3.56Å; K848-E855 PolarHBondContact NZ-OE1 2.87Å; K848-E855 IonicContact NZ-OE2 3.65Å; K848-E855 PolarHBondContact NZ-OE2 2.83Å; E855-Y857 HydrophobicContact CG-CE1 4.26Å; E855-Y857 PolarHBondContact OE1-OH 2.81Å
856	A	93.3	Very high	93.2	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	165.6	175.6	0	0	0	0	0	111.4	K848 F849 Y851 E854	K848-A856 WeakPolarHBondContact CA-O 3.41Å; F849-A856 HydrophobicContact CD1-CB 4.35Å; F849-A856 HydrophobicContact CD2-CB 4.44Å; F849-A856 HydrophobicContact CE1-CB 3.81Å; F849-A856 HydrophobicContact CE2-CB 3.91Å; F849-A856 HydrophobicContact CZ-CB 3.54Å; F849-A856 PolarHBondContact N-O 3.18Å; F849-A856 PolarHBondContact O-N 2.89Å; Y851-A856 HydrophobicContact CG-CB 4.47Å; E854-A856 PolarHBondContact O-N 3.24Å
857	Y	95	Very high	93.7	Very high	53 Å²	53	31.6 Å²	31.6	21%	0.208	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.2	-178.5	-46.9	-80.1	0	0	0	111.9	V836 L846 F847 K848 F849 E855	V836-Y857 WeakPolarHBondContact CG2-O 3.36Å; V836-Y857 PolarHBondContact N-O 3.19Å; V836-Y857 PolarHBondContact O-N 3.12Å; L846-Y857 HydrophobicContact CB-CD1 3.81Å; L846-Y857 HydrophobicContact CB-CG 4.2Å; L846-Y857 HydrophobicContact CD1-CD1 4.03Å; L846-Y857 HydrophobicContact CD1-CD2 4.25Å; L846-Y857 HydrophobicContact CD1-CE1 4.35Å; L846-Y857 HydrophobicContact CD1-CG 3.99Å; L846-Y857 HydrophobicContact CD2-CG 4.42Å; L846-Y857 HydrophobicContact CG-CD1 4.44Å; L846-Y857 HydrophobicContact CG-CG 4.45Å; F847-Y857 CarbonylContact O-C 3.51Å; F847-Y857 WeakPolarHBondContact O-CA 3.31Å; K848-Y857 HydrophobicContact CB-CD1 3.94Å; K848-Y857 HydrophobicContact CB-CE1 4.02Å; K848-Y857 HydrophobicContact CD-CE1 4.31Å; K848-Y857 HydrophobicContact CG-CD1 4.35Å; K848-Y857 HydrophobicContact CG-CE1 4.1Å; F849-Y857 VanDerWaalsContact CE1-C 3.46Å; E855-Y857 HydrophobicContact CG-CE1 4.26Å; E855-Y857 PolarHBondContact OE1-OH 2.81Å
858	L	96	Very high	93.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.7	166.6	-59.5	175.4	0	0	0	110.3	M291 L314 T834 F847 F849 Y883	M291-L858 HydrophobicContact SD-CD1 4.38Å; L314-L858 HydrophobicContact CD1-CD2 3.91Å; L314-L858 HydrophobicContact CD2-CD1 3.92Å; L314-L858 HydrophobicContact CD2-CD2 3.67Å; L314-L858 HydrophobicContact CD2-CG 4.41Å; L314-L858 HydrophobicContact CG-CD2 4.4Å; T834-L858 WeakPolarHBondContact O-CA 3.48Å; F847-L858 HydrophobicContact CB-CB 4.26Å; F847-L858 HydrophobicContact CB-CD1 3.88Å; F847-L858 HydrophobicContact CB-CG 4.2Å; F847-L858 HydrophobicContact CG-CD1 4.45Å; F847-L858 PolarHBondContact O-N 3.01Å; F849-L858 HydrophobicContact CD1-CD2 4.36Å; F849-L858 HydrophobicContact CD1-CG 4.38Å; F849-L858 HydrophobicContact CE1-CD2 3.98Å; F849-L858 HydrophobicContact CE1-CG 4.35Å; L858-Y883 HydrophobicContact CB-CD1 4.43Å; L858-Y883 HydrophobicContact CB-CD2 3.53Å; L858-Y883 HydrophobicContact CB-CE2 4.12Å; L858-Y883 HydrophobicContact CB-CG 3.7Å; L858-Y883 HydrophobicContact CD1-CD1 3.95Å; L858-Y883 HydrophobicContact CD1-CD2 4.45Å; L858-Y883 HydrophobicContact CD1-CE1 4.27Å; L858-Y883 HydrophobicContact CD1-CG 4.03Å; L858-Y883 HydrophobicContact CG-CD2 4.44Å; L858-Y883 HydrophobicContact CG-CG 4.45Å
859	T	96.6	Very high	94.2	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.138	C	C	.	.			trans	-64.4	137.3	-172.4	-169.3	0	0	0	0	113.8	T834 S861 Y883	T834-T859 HydrophobicContact CG2-CG2 4.12Å; T834-T859 PolarHBondContact O-N 2.79Å; T859-S861 PolarHBondContact OG1-N 3.07Å; T859-S861 PolarHBondContact OG1-O 2.95Å; T859-Y883 HydrophobicContact CG2-CD2 4.31Å; T859-Y883 HydrophobicContact CG2-CE2 4.36Å; T859-Y883 WeakPolarHBondContact O-CD2 3.23Å; T859-Y883 PolarHBondContact O-N 3.01Å
860	Q	94.3	Very high	94.5	Very high	3 Å²	3	26 Å²	26	1%	0.014	14%	0.137	C	C	.	.	S	Bend	trans	-85.9	-26.3	170.3	-67.6	167.5	-44.1	0	0	112.7	E841 G842 T845 L846 S882	E841-Q860 HydrophobicContact CB-CB 4.45Å; G842-Q860 PolarHBondContact O-NE2 3.19Å; T845-Q860 PolarHBondContact OG1-NE2 3.34Å; L846-Q860 HydrophobicContact CD2-CG 3.68Å; Q860-S882 WeakPolarHBondContact O-CB 3.3Å; Q860-S882 PolarHBondContact O-OG 2.88Å
861	S	96.8	Very high	94.9	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.021	11%	0.114	C	C	.	.			trans	-168.3	143.5	-174.7	163.2	0	0	0	0	109.1	T859 Q863 E901	T859-S861 PolarHBondContact OG1-N 3.07Å; T859-S861 PolarHBondContact OG1-O 2.95Å; S861-Q863 VanDerWaalsContact OG-CB 3.31Å; S861-Q863 WeakPolarHBondContact OG-CB 3.46Å; S861-Q863 PolarHBondContact OG-N 3.49Å; S861-Q863 VanDerWaalsContact OG-N 3.11Å; S861-E901 WeakPolarHBondContact CB-OE1 3.34Å; S861-E901 PolarHBondContact OG-OE1 2.82Å
862	S	97.9	Very high	95.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-92.4	2.6	176.9	-50.9	0	0	0	0	113.4	P832 L864 Y865 L866 E901	P832-S862 VanDerWaalsContact CG-OG 3.25Å; P832-S862 WeakPolarHBondContact CG-OG 3.46Å; S862-L864 VanDerWaalsContact C-N 3.3Å; S862-L864 PolarHBondContact O-N 3.04Å; S862-Y865 PolarHBondContact O-N 2.97Å; S862-L866 PolarHBondContact O-N 2.91Å; S862-E901 VanDerWaalsContact CB-OE2 3.25Å; S862-E901 WeakPolarHBondContact CB-OE2 3.17Å; S862-E901 PolarHBondContact N-OE1 3.32Å; S862-E901 PolarHBondContact N-OE2 2.88Å; S862-E901 PolarHBondContact OG-OE2 3.17Å
863	Q	98.2	Very high	95.7	Very high	11 Å²	11	17.4 Å²	17.4	5%	0.051	10%	0.099	C	C	.	.	H	α-helix	trans	-46.8	-50.4	-173.8	-176.5	-168.2	-68.8	0	0	112.5	S861 Y865 L866 E867 Y1010 R1040	S861-Q863 VanDerWaalsContact OG-CB 3.31Å; S861-Q863 WeakPolarHBondContact OG-CB 3.46Å; S861-Q863 PolarHBondContact OG-N 3.49Å; S861-Q863 VanDerWaalsContact OG-N 3.11Å; Q863-Y865 VanDerWaalsContact C-N 3.26Å; Q863-Y865 PolarHBondContact O-N 3.11Å; Q863-L866 WeakPolarHBondContact O-CB 3.37Å; Q863-L866 PolarHBondContact O-N 3.24Å; Q863-E867 PolarHBondContact NE2-OE1 2.75Å; Q863-E867 PolarHBondContact O-N 3.29Å; Q863-Y1010 VanDerWaalsContact NE2-CD2 3.32Å; Q863-R1040 VanDerWaalsContact CD-NH2 3.27Å; Q863-R1040 VanDerWaalsContact OE1-NH2 3.08Å
864	L	97.6	Very high	96.4	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-60.9	-36.9	-176.1	-51.6	-172.5	0	0	0	111.8	V840 S862 T868 Y1061 W1063 F1064	V840-L864 HydrophobicContact CG1-CD2 4.45Å; V840-L864 HydrophobicContact CG1-CG 4.25Å; V840-L864 HydrophobicContact CG2-CD1 3.82Å; V840-L864 HydrophobicContact CG2-CG 3.99Å; S862-L864 VanDerWaalsContact C-N 3.3Å; S862-L864 PolarHBondContact O-N 3.04Å; L864-T868 WeakPolarHBondContact O-CG2 3.42Å; L864-T868 PolarHBondContact O-N 3.47Å; L864-Y1061 HydrophobicContact CD1-CD1 4.14Å; L864-Y1061 HydrophobicContact CD1-CE1 3.8Å; L864-W1063 HydrophobicContact CB-CH2 3.7Å; L864-W1063 HydrophobicContact CB-CZ3 3.75Å; L864-W1063 HydrophobicContact CD1-CH2 4.19Å; L864-F1064 HydrophobicContact CB-CD2 4.04Å; L864-F1064 HydrophobicContact CB-CE2 4.18Å; L864-F1064 HydrophobicContact CD2-CD2 4.06Å; L864-F1064 HydrophobicContact CD2-CE1 4.34Å; L864-F1064 HydrophobicContact CD2-CE2 3.5Å; L864-F1064 VanDerWaalsContact CD2-CE2 3.5Å; L864-F1064 HydrophobicContact CD2-CZ 3.67Å; L864-F1064 HydrophobicContact CG-CE2 4.36Å
865	Y	98.3	Very high	96.9	Very high	18 Å²	18	10.4 Å²	10.4	7%	0.071	5%	0.049	C	C	.	.	H	α-helix	trans	-72.3	-35.8	174.9	-63.8	-65.4	0	0	0	112.2	Y557 P832 P833 V836 S862 Q863 E867 T868 C869 W1063	Y557-Y865 AromaticContact CD2-CD1 3.72Å; Y557-Y865 HydrophobicContact CD2-CD1 3.72Å; Y557-Y865 HydrophobicContact CD2-CE1 4.16Å; Y557-Y865 HydrophobicContact CD2-CG 4.47Å; Y557-Y865 AromaticContact CE2-CD1 3.61Å; Y557-Y865 HydrophobicContact CE2-CD1 3.61Å; Y557-Y865 HydrophobicContact CE2-CE1 4.36Å; Y557-Y865 HydrophobicContact CE2-CG 4.38Å; P832-Y865 HydrophobicContact CB-CD2 4.26Å; P832-Y865 HydrophobicContact CB-CG 4.37Å; P833-Y865 HydrophobicContact CG-CD1 4.31Å; P833-Y865 HydrophobicContact CG-CD2 4.1Å; P833-Y865 HydrophobicContact CG-CE1 3.92Å; P833-Y865 HydrophobicContact CG-CE2 3.7Å; P833-Y865 HydrophobicContact CG-CG 4.39Å; V836-Y865 HydrophobicContact CG1-CE2 3.71Å; S862-Y865 PolarHBondContact O-N 2.97Å; Q863-Y865 VanDerWaalsContact C-N 3.26Å; Q863-Y865 PolarHBondContact O-N 3.11Å; Y865-E867 VanDerWaalsContact C-N 3.31Å; Y865-E867 PolarHBondContact O-N 3.33Å; Y865-T868 PolarHBondContact O-N 2.54Å; Y865-T868 PolarHBondContact O-OG1 2.77Å; Y865-C869 PolarHBondContact O-SG 3.21Å; Y865-C869 VanDerWaalsContact O-SG 3.34Å; Y865-W1063 HydrophobicContact CD1-CH2 4.27Å; Y865-W1063 HydrophobicContact CD1-CZ3 4.22Å; Y865-W1063 HydrophobicContact CE1-CH2 4Å; Y865-W1063 HydrophobicContact CE1-CZ2 4.2Å; Y865-W1063 HydrophobicContact CE1-CZ3 4.33Å
866	L	98.7	Very high	97.3	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-61.6	-40.4	174	-63.5	-175	0	0	0	111.5	V830 S862 Q863 T868 C869 V876 C878 E901 E903	V830-L866 HydrophobicContact CG2-CD2 3.33Å; S862-L866 PolarHBondContact O-N 2.91Å; Q863-L866 WeakPolarHBondContact O-CB 3.37Å; Q863-L866 PolarHBondContact O-N 3.24Å; L866-T868 VanDerWaalsContact C-N 3.25Å; L866-T868 PolarHBondContact O-N 3.24Å; L866-C869 WeakPolarHBondContact O-CB 3.43Å; L866-C869 PolarHBondContact O-N 3.43Å; L866-V876 HydrophobicContact CB-CG2 4.06Å; L866-V876 HydrophobicContact CD2-CG2 4.17Å; L866-C878 HydrophobicContact CD2-CB 4.23Å; L866-E901 HydrophobicContact CD1-CB 3.67Å; L866-E903 HydrophobicContact CB-CB 3.76Å; L866-E903 HydrophobicContact CD1-CB 4.46Å
867	E	98.6	Very high	97.6	Very high	3 Å²	3	6.3 Å²	6.3	1%	0.014	3%	0.029	C	C	.	.	H	α-helix	trans	-58.3	-36.3	175.8	-70	-179.1	-127.1	0	0	112.1	Q863 Y865 C869 L870 E903 F1064 R1068 H1075	Q863-E867 PolarHBondContact NE2-OE1 2.75Å; Q863-E867 PolarHBondContact O-N 3.29Å; Y865-E867 VanDerWaalsContact C-N 3.31Å; Y865-E867 PolarHBondContact O-N 3.33Å; E867-C869 PolarHBondContact O-N 2.97Å; E867-L870 WeakPolarHBondContact O-CG 3.05Å; E867-L870 PolarHBondContact O-N 3Å; E867-E903 HydrophobicContact CG-CG 3.84Å; E867-F1064 HydrophobicContact CB-CE2 4.34Å; E867-F1064 VanDerWaalsContact CD-CE2 3.43Å; E867-F1064 HydrophobicContact CG-CE2 4.47Å; E867-F1064 WeakPolarHBondContact OE2-CE2 3.4Å; E867-F1064 WeakPolarHBondContact OE2-CZ 3.32Å; E867-R1068 IonicContact OE2-CZ 2.68Å; E867-R1068 VanDerWaalsContact OE2-CZ 3.27Å; E867-R1068 IonicContact OE2-NH1 2.79Å; E867-R1068 PolarHBondContact OE2-NH1 2.77Å; E867-R1068 IonicContact OE2-NH2 2.58Å; E867-R1068 PolarHBondContact OE2-NH2 2.67Å; E867-H1075 IonicContact OE2-NE2 2.74Å; E867-H1075 PolarHBondContact OE2-NE2 2.85Å
868	T	98.3	Very high	97.7	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-67.1	-22.1	175.8	73.1	0	0	0	0	113.9	H252 Y557 L864 Y865 L866 P871 W1063 Q1067	H252-T868 HydrophobicContact CB-CG2 4.41Å; Y557-T868 WeakPolarHBondContact OH-CB 3.31Å; Y557-T868 PolarHBondContact OH-OG1 2.75Å; L864-T868 WeakPolarHBondContact O-CG2 3.42Å; L864-T868 PolarHBondContact O-N 3.47Å; Y865-T868 PolarHBondContact O-N 2.54Å; Y865-T868 PolarHBondContact O-OG1 2.77Å; L866-T868 VanDerWaalsContact C-N 3.25Å; L866-T868 PolarHBondContact O-N 3.24Å; T868-P871 WeakPolarHBondContact O-CD 3.3Å; T868-W1063 HydrophobicContact CG2-CE3 3.73Å; T868-W1063 HydrophobicContact CG2-CZ3 4.12Å; T868-Q1067 HydrophobicContact CG2-CG 4.31Å
869	C	98.6	Very high	97.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-83.5	-26	-177.1	-61.8	0	0	0	0	112.3	Y865 L866 E867 P871 S872 L873 V876	Y865-C869 PolarHBondContact O-SG 3.21Å; Y865-C869 VanDerWaalsContact O-SG 3.34Å; L866-C869 WeakPolarHBondContact O-CB 3.43Å; L866-C869 PolarHBondContact O-N 3.43Å; E867-C869 PolarHBondContact O-N 2.97Å; C869-P871 VanDerWaalsContact C-CD 3.43Å; C869-P871 VanDerWaalsContact C-N 3.35Å; C869-S872 PolarHBondContact O-N 3.01Å; C869-S872 PolarHBondContact O-OG 3.43Å; C869-L873 HydrophobicContact CB-CD1 4.32Å; C869-L873 PolarHBondContact O-N 2.83Å; C869-V876 HydrophobicContact CB-CB 4.45Å; C869-V876 HydrophobicContact CB-CG1 3.86Å; C869-V876 HydrophobicContact CB-CG2 4.13Å
870	L	98.6	Very high	97.9	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-49.7	-46.2	-174.4	-54.7	175.1	0	0	0	113.8	W151 E867 S872 G874 V876 E903 P905 H1075	W151-L870 HydrophobicContact CH2-CB 4.39Å; W151-L870 WeakPolarHBondContact CH2-O 3.07Å; W151-L870 WeakPolarHBondContact CZ3-O 3.46Å; E867-L870 WeakPolarHBondContact O-CG 3.05Å; E867-L870 PolarHBondContact O-N 3Å; L870-S872 PolarHBondContact O-N 3.12Å; L870-S872 VanDerWaalsContact O-N 3.11Å; L870-G874 WeakPolarHBondContact CD2-O 3.46Å; L870-G874 WeakPolarHBondContact O-CA 3.46Å; L870-G874 PolarHBondContact O-N 3.23Å; L870-V876 HydrophobicContact CD2-CG2 4.09Å; L870-E903 HydrophobicContact CD1-CG 3.91Å; L870-E903 VanDerWaalsContact CD2-C 3.5Å; L870-E903 HydrophobicContact CD2-CB 3.92Å; L870-E903 HydrophobicContact CD2-CG 3.91Å; L870-E903 WeakPolarHBondContact CD2-O 3.4Å; L870-E903 HydrophobicContact CG-CG 4.25Å; L870-P905 HydrophobicContact CB-CB 4.11Å; L870-P905 HydrophobicContact CB-CG 4.28Å; L870-P905 HydrophobicContact CD1-CB 4.37Å; L870-P905 HydrophobicContact CD2-CG 4.34Å; L870-H1075 HydrophobicContact CD1-CB 3.86Å
871	P	97.9	Very high	98.1	Very high	6 Å²	6	6.7 Å²	6.7	4%	0.039	4%	0.036	C	C	.	.	H	α-helix	trans	-66.6	-16.6	-176.9	-21.6	36.8	0	0	0	113.9	W151 R168 R256 T868 C869	W151-P871 HydrophobicContact CD2-CB 3.98Å; W151-P871 HydrophobicContact CE3-CB 4.4Å; W151-P871 HydrophobicContact CG-CB 4.42Å; W151-P871 HydrophobicContact CH2-CB 4.36Å; W151-P871 HydrophobicContact CZ2-CB 3.95Å; W151-P871 HydrophobicContact CZ2-CG 3.94Å; R168-P871 PolarHBondContact NE-O 3.48Å; R168-P871 PolarHBondContact NH2-O 3.01Å; R256-P871 HydrophobicContact CG-CB 4.3Å; T868-P871 WeakPolarHBondContact O-CD 3.3Å; C869-P871 VanDerWaalsContact C-CD 3.43Å; C869-P871 VanDerWaalsContact C-N 3.35Å
872	S	96.5	Very high	98.1	Very high	5 Å²	5	6.6 Å²	6.6	4%	0.035	4%	0.035	C	C	.	.	H	α-helix	trans	-114.6	-34.8	-172	65.2	0	0	0	0	113.7	G170 L255 C869 L870	G170-S872 WeakPolarHBondContact CA-O 3.41Å; L255-S872 WeakPolarHBondContact CG-OG 3.47Å; L255-S872 WeakPolarHBondContact O-CB 3.42Å; C869-S872 PolarHBondContact O-N 3.01Å; C869-S872 PolarHBondContact O-OG 3.43Å; L870-S872 PolarHBondContact O-N 3.12Å; L870-S872 VanDerWaalsContact O-N 3.11Å
873	L	97.5	Very high	98	Very high	6 Å²	6	6.6 Å²	6.6	3%	0.031	4%	0.035	C	C	.	.	H	α-helix	trans	-117.6	-10.4	-173.5	-59.6	179.4	0	0	0	113.2	M264 K265 C828 V830 C869 V876	M264-L873 HydrophobicContact CB-CD1 3.96Å; M264-L873 HydrophobicContact CB-CD2 4.17Å; K265-L873 HydrophobicContact CG-CD2 3.92Å; C828-L873 HydrophobicContact CB-CB 4.16Å; V830-L873 HydrophobicContact CG1-CD1 3.53Å; C869-L873 HydrophobicContact CB-CD1 4.32Å; C869-L873 PolarHBondContact O-N 2.83Å; L873-V876 HydrophobicContact CB-CG1 3.63Å; L873-V876 HydrophobicContact CD1-CG1 4.48Å
874	G	97.7	Very high	97.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	83.5	-129	175.5	0	0	0	0	0	111.8	D169 L870 V876	D169-G874 WeakPolarHBondContact O-CA 3.48Å; L870-G874 WeakPolarHBondContact CD2-O 3.46Å; L870-G874 WeakPolarHBondContact O-CA 3.46Å; L870-G874 PolarHBondContact O-N 3.23Å; G874-V876 PolarHBondContact O-N 3.04Å
875	D	98.4	Very high	97.4	Very high	7 Å²	7	9.5 Å²	9.5	4%	0.037	5%	0.049	C	C	.	.	S	Bend	trans	-71.7	124.6	172.3	-58.6	-75.3	0	0	0	108.7	K134 Y827 C828 P905 R915	K134-D875 VanDerWaalsContact CE-OD2 3.24Å; K134-D875 WeakPolarHBondContact CE-OD2 3.27Å; K134-D875 IonicContact NZ-OD1 3.91Å; K134-D875 IonicContact NZ-OD2 2.87Å; K134-D875 PolarHBondContact NZ-OD2 2.79Å; Y827-D875 CarbonylContact C-O 3.17Å; Y827-D875 WeakPolarHBondContact CA-O 3.38Å; Y827-D875 HydrophobicContact CD1-CB 3.69Å; Y827-D875 HydrophobicContact CD2-CB 4.05Å; Y827-D875 HydrophobicContact CE1-CB 3.75Å; Y827-D875 HydrophobicContact CE2-CB 4.09Å; Y827-D875 HydrophobicContact CG-CB 3.84Å; C828-D875 PolarHBondContact N-O 3.02Å; D875-P905 WeakPolarHBondContact OD1-CD 3.34Å; D875-R915 IonicContact OD1-CZ 2.73Å; D875-R915 IonicContact OD1-NH1 3.44Å; D875-R915 PolarHBondContact OD1-NH1 2.77Å; D875-R915 IonicContact OD1-NH2 3.32Å
876	V	98.7	Very high	96.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.2	-175	-63.3	0	0	0	0	111.8	C828 V830 L866 C869 L870 L873 G874 A902 E903	C828-V876 HydrophobicContact CB-CG1 4.36Å; C828-V876 WeakPolarHBondContact O-CA 3.33Å; V830-V876 HydrophobicContact CG1-CG1 4.4Å; V830-V876 HydrophobicContact CG2-CB 4.48Å; L866-V876 HydrophobicContact CB-CG2 4.06Å; L866-V876 HydrophobicContact CD2-CG2 4.17Å; C869-V876 HydrophobicContact CB-CB 4.45Å; C869-V876 HydrophobicContact CB-CG1 3.86Å; C869-V876 HydrophobicContact CB-CG2 4.13Å; L870-V876 HydrophobicContact CD2-CG2 4.09Å; L873-V876 HydrophobicContact CB-CG1 3.63Å; L873-V876 HydrophobicContact CD1-CG1 4.48Å; G874-V876 PolarHBondContact O-N 3.04Å; V876-A902 VanDerWaalsContact O-CA 3.31Å; V876-A902 WeakPolarHBondContact O-CA 3.28Å; V876-E903 HydrophobicContact CG2-CB 4.21Å; V876-E903 PolarHBondContact N-O 2.85Å; V876-E903 PolarHBondContact O-N 2.77Å
877	Y	98.8	Very high	95.9	Very high	8 Å²	8	19 Å²	19	3%	0.031	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.7	172.6	81.9	-72.9	0	0	0	111.5	R819 F822 C828 E829 V830 I879 E901	R819-Y877 HydrophobicContact CG-CE2 4.13Å; F822-Y877 HydrophobicContact CB-CD1 3.7Å; F822-Y877 HydrophobicContact CB-CD2 4.25Å; F822-Y877 HydrophobicContact CB-CE1 3.57Å; F822-Y877 HydrophobicContact CB-CE2 4.14Å; F822-Y877 HydrophobicContact CB-CG 4.02Å; F822-Y877 HydrophobicContact CD1-CD1 4.27Å; F822-Y877 HydrophobicContact CD1-CD2 4.48Å; F822-Y877 AromaticContact CD1-CG 4Å; F822-Y877 HydrophobicContact CD1-CG 4Å; F822-Y877 HydrophobicContact CD2-CD1 4.14Å; F822-Y877 AromaticContact CD2-CD2 3.2Å; F822-Y877 HydrophobicContact CD2-CD2 3.2Å; F822-Y877 HydrophobicContact CD2-CE1 4.36Å; F822-Y877 AromaticContact CD2-CE2 3.48Å; F822-Y877 HydrophobicContact CD2-CE2 3.48Å; F822-Y877 VanDerWaalsContact CD2-CE2 3.48Å; F822-Y877 AromaticContact CD2-CG 3.55Å; F822-Y877 HydrophobicContact CD2-CG 3.55Å; F822-Y877 HydrophobicContact CE1-CG 4.34Å; F822-Y877 AromaticContact CE2-CD2 3.53Å; F822-Y877 HydrophobicContact CE2-CD2 3.53Å; F822-Y877 HydrophobicContact CE2-CE2 4.16Å; F822-Y877 AromaticContact CE2-CG 3.93Å; F822-Y877 HydrophobicContact CE2-CG 3.93Å; F822-Y877 AromaticContact CG-CD1 3.8Å; F822-Y877 HydrophobicContact CG-CD1 3.8Å; F822-Y877 AromaticContact CG-CD2 3.75Å; F822-Y877 HydrophobicContact CG-CD2 3.75Å; F822-Y877 HydrophobicContact CG-CE1 4.09Å; F822-Y877 HydrophobicContact CG-CE2 4.05Å; F822-Y877 AromaticContact CG-CG 3.59Å; F822-Y877 HydrophobicContact CG-CG 3.59Å; F822-Y877 HydrophobicContact CZ-CD2 4.29Å; F822-Y877 HydrophobicContact CZ-CG 4.3Å; C828-Y877 PolarHBondContact O-N 3.2Å; E829-Y877 VanDerWaalsContact CA-CE1 3.47Å; E829-Y877 WeakPolarHBondContact CA-O 3.22Å; E829-Y877 HydrophobicContact CB-CD1 4.24Å; E829-Y877 HydrophobicContact CB-CE1 3.49Å; E829-Y877 VanDerWaalsContact CB-CE1 3.49Å; E829-Y877 HydrophobicContact CB-CE2 4.4Å; E829-Y877 HydrophobicContact CG-CE1 4.05Å; E829-Y877 HydrophobicContact CG-CE2 4.05Å; E829-Y877 PolarHBondContact OE2-OH 2.7Å; V830-Y877 PolarHBondContact N-O 2.92Å; Y877-I879 HydrophobicContact CD2-CG1 4.25Å; Y877-I879 HydrophobicContact CE2-CD1 4.32Å; Y877-I879 HydrophobicContact CE2-CG1 4.15Å; Y877-E901 CarbonylContact C-O 3.6Å; Y877-E901 WeakPolarHBondContact CA-O 3.33Å; Y877-E901 WeakPolarHBondContact CB-O 3.32Å
878	C	98.7	Very high	95	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.9	165.9	64.4	0	0	0	0	110.7	V830 P832 L866 E901	V830-C878 HydrophobicContact CG2-CB 4.4Å; V830-C878 VanDerWaalsContact O-CB 3.24Å; V830-C878 WeakPolarHBondContact O-CB 3.5Å; P832-C878 HydrophobicContact CG-CB 4.09Å; L866-C878 HydrophobicContact CD2-CB 4.23Å; C878-E901 PolarHBondContact N-O 3.01Å; C878-E901 PolarHBondContact O-N 2.85Å
879	I	98.5	Very high	94.3	Very high	25 Å²	25	28.1 Å²	28.1	13%	0.128	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	98.9	165	-57.1	-175	0	0	0	105.4	L815 F818 R819 Y877 T898 H899 V900	L815-I879 HydrophobicContact CD2-CD1 4.31Å; L815-I879 HydrophobicContact CD2-CG2 3.81Å; F818-I879 HydrophobicContact CB-CD1 4.21Å; R819-I879 HydrophobicContact CG-CD1 3.76Å; Y877-I879 HydrophobicContact CD2-CG1 4.25Å; Y877-I879 HydrophobicContact CE2-CD1 4.32Å; Y877-I879 HydrophobicContact CE2-CG1 4.15Å; I879-T898 HydrophobicContact CG2-CG2 3.51Å; I879-H899 WeakPolarHBondContact CA-O 3.46Å; I879-V900 HydrophobicContact CD1-CG2 4.33Å; I879-V900 HydrophobicContact CG1-CG1 4.26Å; I879-V900 HydrophobicContact CG1-CG2 4.15Å; I879-V900 HydrophobicContact CG2-CG2 4.27Å
880	A	97.9	Very high	93.6	Very high	17 Å²	17	29.9 Å²	29.9	14%	0.14	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.6	-171.4	0	0	0	0	0	110.9	H899	A880-H899 PolarHBondContact N-O 3.28Å; A880-H899 VanDerWaalsContact N-O 3.13Å; A880-H899 PolarHBondContact O-N 3.47Å
881	M	97.8	Very high	93	Very high	24 Å²	24	33.8 Å²	33.8	12%	0.118	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.3	173.9	-59.7	-43.8	-61	0	0	110.4	T287 T290 Y883 E896 Y897	T287-M881 HydrophobicContact CG2-SD 3.87Å; T290-M881 HydrophobicContact CG2-CG 4.28Å; M881-Y883 HydrophobicContact CB-CE1 4.32Å; M881-Y883 HydrophobicContact CB-CE2 4.07Å; M881-E896 HydrophobicContact CE-CG 3.3Å; M881-Y897 WeakPolarHBondContact CE-O 3.39Å
882	S	97.3	Very high	92.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.3	167	-72	0	0	0	0	109.3	Q860 E896 Y897 H899	Q860-S882 WeakPolarHBondContact O-CB 3.3Å; Q860-S882 PolarHBondContact O-OG 2.88Å; S882-E896 WeakPolarHBondContact O-CA 3.28Å; S882-Y897 VanDerWaalsContact CB-CZ 3.45Å; S882-Y897 WeakPolarHBondContact CB-OH 3.46Å; S882-Y897 PolarHBondContact N-O 2.83Å; S882-Y897 VanDerWaalsContact O-CD1 3.32Å; S882-Y897 WeakPolarHBondContact O-CD1 3.42Å; S882-Y897 PolarHBondContact O-N 2.78Å; S882-Y897 VanDerWaalsContact O-N 3.08Å; S882-H899 WeakPolarHBondContact OG-CB 3.36Å; S882-H899 PolarHBondContact OG-ND1 2.86Å
883	Y	96.5	Very high	92.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.2	-170.7	-47.4	-95.6	0	0	0	109.9	T290 M291 Y339 T834 L858 T859 M881 S895 E896	T290-Y883 WeakPolarHBondContact OG1-CE1 3.25Å; T290-Y883 PolarHBondContact OG1-OH 2.84Å; M291-Y883 HydrophobicContact CE-CD1 4.47Å; M291-Y883 HydrophobicContact CG-CD1 4.21Å; M291-Y883 HydrophobicContact CG-CE1 4.13Å; M291-Y883 HydrophobicContact SD-CD1 3.93Å; M291-Y883 HydrophobicContact SD-CE1 4.45Å; Y339-Y883 PolarHBondContact OH-OH 2.88Å; T834-Y883 HydrophobicContact CG2-CE2 4.49Å; L858-Y883 HydrophobicContact CB-CD1 4.43Å; L858-Y883 HydrophobicContact CB-CD2 3.53Å; L858-Y883 HydrophobicContact CB-CE2 4.12Å; L858-Y883 HydrophobicContact CB-CG 3.7Å; L858-Y883 HydrophobicContact CD1-CD1 3.95Å; L858-Y883 HydrophobicContact CD1-CD2 4.45Å; L858-Y883 HydrophobicContact CD1-CE1 4.27Å; L858-Y883 HydrophobicContact CD1-CG 4.03Å; L858-Y883 HydrophobicContact CG-CD2 4.44Å; L858-Y883 HydrophobicContact CG-CG 4.45Å; T859-Y883 HydrophobicContact CG2-CD2 4.31Å; T859-Y883 HydrophobicContact CG2-CE2 4.36Å; T859-Y883 WeakPolarHBondContact O-CD2 3.23Å; T859-Y883 PolarHBondContact O-N 3.01Å; M881-Y883 HydrophobicContact CB-CE1 4.32Å; M881-Y883 HydrophobicContact CB-CE2 4.07Å; Y883-S895 CarbonylContact C-O 3.55Å; Y883-S895 VanDerWaalsContact CA-O 3.22Å; Y883-S895 WeakPolarHBondContact CA-O 3.46Å; Y883-E896 HydrophobicContact CD1-CB 4.07Å; Y883-E896 HydrophobicContact CD1-CG 4.3Å; Y883-E896 HydrophobicContact CE1-CB 4.37Å; Y883-E896 HydrophobicContact CE1-CG 4.13Å
884	R	92.9	Very high	92	Very high	60 Å²	60	36.6 Å²	36.6	23%	0.226	17%	0.173	C	C	.	.			trans	-135.7	113.6	179.5	-64.7	-176.6	-174.1	-165.2	-0.2	109.9	E886 S895 Y897	R884-E886 HydrophobicContact CB-CG 4.14Å; R884-E886 WeakPolarHBondContact CD-OE1 3.38Å; R884-E886 IonicContact NH1-OE1 2.76Å; R884-E886 PolarHBondContact O-N 2.8Å; R884-S895 PolarHBondContact N-O 3.45Å; R884-S895 WeakPolarHBondContact O-CA 3.24Å; R884-Y897 HydrophobicContact CG-CE1 4.08Å; R884-Y897 PolarHBondContact NE-OH 2.68Å; R884-Y897 PolarHBondContact NH2-OH 2.7Å; R884-Y897 VanDerWaalsContact NH2-OH 3.1Å
885	A	89.8	Confident	91.9	Very high	15 Å²	15	36.8 Å²	36.8	12%	0.124	17%	0.174	C	C	.	.			trans	-75.9	49.3	175.8	0	0	0	0	0	111.9	Y308 T845 F847	Y308-A885 WeakPolarHBondContact OH-CA 3.45Å; T845-A885 PolarHBondContact O-N 2.84Å; F847-A885 HydrophobicContact CD1-CB 4.09Å; F847-A885 HydrophobicContact CD2-CB 4.01Å; F847-A885 HydrophobicContact CE1-CB 3.9Å; F847-A885 HydrophobicContact CE2-CB 3.84Å; F847-A885 HydrophobicContact CG-CB 4.14Å; F847-A885 HydrophobicContact CZ-CB 3.78Å
886	E	83.4	Confident	91.9	Very high	35 Å²	35	36.6 Å²	36.6	16%	0.164	17%	0.173	C	C	.	.			trans	-68.6	135.3	175.6	-72	176.4	-158.5	0	0	109.9	Y308 T845 R884 H893	Y308-E886 WeakPolarHBondContact CE1-O 3.24Å; Y308-E886 PolarHBondContact OH-N 3Å; Y308-E886 PolarHBondContact OH-O 2.78Å; T845-E886 HydrophobicContact CG2-CG 4.04Å; R884-E886 HydrophobicContact CB-CG 4.14Å; R884-E886 WeakPolarHBondContact CD-OE1 3.38Å; R884-E886 IonicContact NH1-OE1 2.76Å; R884-E886 PolarHBondContact O-N 2.8Å; E886-H893 IonicContact OE1-CD2 2.9Å; E886-H893 VanDerWaalsContact OE2-CB 3.25Å; E886-H893 WeakPolarHBondContact OE2-CB 3.49Å; E886-H893 IonicContact OE2-CD2 3.26Å; E886-H893 PolarHBondContact OE2-CD2 2.86Å; E886-H893 VanDerWaalsContact OE2-CD2 3.32Å; E886-H893 IonicContact OE2-CE1 3.95Å; E886-H893 IonicContact OE2-CG 3.23Å; E886-H893 IonicContact OE2-ND1 3.99Å; E886-H893 PolarHBondContact OE2-ND1 3.47Å; E886-H893 IonicContact OE2-NE2 4Å
887	K	82.7	Confident	91.8	Very high	184 Å²	184	37.6 Å²	37.6	80%	0.8	18%	0.177	S	C	*	.			trans	-90.5	-2.9	-176	-63.3	-175.6	-180	-178.3	0	113.7
888	S	79.7	Confident	91.8	Very high	74 Å²	74	37.4 Å²	37.4	52%	0.517	18%	0.177	S	C	.	.	S	Bend	trans	-111	141.3	-177.4	57.5	0	0	0	0	111.4
889	R	82.9	Confident	91.8	Very high	120 Å²	120	38 Å²	38	45%	0.453	18%	0.179	S	C	.	.			trans	-88.3	124.2	170.5	-66.1	-175.7	175.8	169.4	-0.9	109.1	F1104 V1105 E1106	R889-F1104 HydrophobicContact CG-CD2 4.39Å; R889-V1105 HydrophobicContact CG-CG1 3.57Å; R889-V1105 PolarHBondContact NE-O 3.19Å; R889-V1105 VanDerWaalsContact NE-O 3.11Å; R889-V1105 PolarHBondContact NH2-O 3.42Å; R889-E1106 IonicContact CZ-OE2 2.78Å; R889-E1106 VanDerWaalsContact CZ-OE2 3.29Å; R889-E1106 IonicContact NH1-OE2 3.94Å; R889-E1106 VanDerWaalsContact NH2-CB 3.32Å; R889-E1106 IonicContact NH2-OE2 3.61Å; R889-E1106 PolarHBondContact NH2-OE2 3.13Å
890	T	84.7	Confident	91.8	Very high	36 Å²	36	36.8 Å²	36.8	22%	0.221	17%	0.173	C	C	.	.			trans	-130.7	172.9	173.9	80.8	0	0	0	0	110.5	R892 H893	T890-R892 PolarHBondContact O-N 3.09Å; T890-R892 PolarHBondContact OG1-N 3.41Å; T890-H893 WeakPolarHBondContact CG2-ND1 3.45Å; T890-H893 VanDerWaalsContact OG1-CB 3.29Å; T890-H893 WeakPolarHBondContact OG1-CB 3.08Å; T890-H893 PolarHBondContact OG1-N 2.9Å; T890-H893 PolarHBondContact OG1-ND1 3.1Å
891	R	85.8	Confident	91.8	Very high	87 Å²	87	36.2 Å²	36.2	33%	0.328	17%	0.167	S	C	.	.	S	Bend	trans	-74.5	-9.1	176.9	-66.4	-177.9	-65.3	168.5	1.4	113.5	Y1093 I1095	R891-Y1093 PolarHBondContact NH1-OH 3.45Å; R891-I1095 VanDerWaalsContact O-CB 3.3Å; R891-I1095 WeakPolarHBondContact O-CB 3.44Å; R891-I1095 VanDerWaalsContact O-CG2 3.29Å; R891-I1095 WeakPolarHBondContact O-CG2 3.48Å; R891-I1095 PolarHBondContact O-N 3.14Å; R891-I1095 VanDerWaalsContact O-N 3.12Å
892	R	86.7	Confident	91.9	Very high	25 Å²	25	35.1 Å²	35.1	9%	0.094	16%	0.162	C	C	.	.	S	Bend	trans	-130.7	0.1	-172.6	72.8	176.8	-176.1	177.1	4.6	115.6	T890 E983 E986 R1084 I1095	T890-R892 PolarHBondContact O-N 3.09Å; T890-R892 PolarHBondContact OG1-N 3.41Å; R892-E983 VanDerWaalsContact CD-CD 3.44Å; R892-E983 IonicContact CZ-OE2 3.16Å; R892-E983 IonicContact NE-OE1 3.17Å; R892-E983 IonicContact NE-OE2 2.77Å; R892-E983 PolarHBondContact NE-OE2 3.45Å; R892-E986 IonicContact CZ-OE1 3.95Å; R892-E986 IonicContact NH1-OE1 3.08Å; R892-E986 PolarHBondContact NH1-OE1 2.99Å; R892-R1084 PolarHBondContact O-NE 3.33Å; R892-R1084 VanDerWaalsContact O-NE 3.07Å; R892-I1095 WeakPolarHBondContact O-CD1 3.29Å
893	H	89.7	Confident	91.9	Very high	42 Å²	42	35.1 Å²	35.1	19%	0.194	16%	0.162	C	C	.	.			trans	-108.6	143.9	179.9	-61.3	133.5	0	0	0	111.5	E886 T890 R1084	E886-H893 IonicContact OE1-CD2 2.9Å; E886-H893 VanDerWaalsContact OE2-CB 3.25Å; E886-H893 WeakPolarHBondContact OE2-CB 3.49Å; E886-H893 IonicContact OE2-CD2 3.26Å; E886-H893 PolarHBondContact OE2-CD2 2.86Å; E886-H893 VanDerWaalsContact OE2-CD2 3.32Å; E886-H893 IonicContact OE2-CE1 3.95Å; E886-H893 IonicContact OE2-CG 3.23Å; E886-H893 IonicContact OE2-ND1 3.99Å; E886-H893 PolarHBondContact OE2-ND1 3.47Å; E886-H893 IonicContact OE2-NE2 4Å; T890-H893 WeakPolarHBondContact CG2-ND1 3.45Å; T890-H893 VanDerWaalsContact OG1-CB 3.29Å; T890-H893 WeakPolarHBondContact OG1-CB 3.08Å; T890-H893 PolarHBondContact OG1-N 2.9Å; T890-H893 PolarHBondContact OG1-ND1 3.1Å; H893-R1084 PolarHBondContact CD2-NH2 3.39Å; H893-R1084 PolarHBondContact NE2-NH2 3.15Å; H893-R1084 VanDerWaalsContact NE2-NH2 3.12Å
894	L	94.3	Very high	92	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.047	16%	0.162	C	C	.	.			trans	-138.1	149	175	-67.1	169.8	0	0	0	107	E896 E1083 I1095 I1099 P1102 R1103	L894-E896 VanDerWaalsContact C-N 3.29Å; L894-E896 WeakPolarHBondContact CB-O 3.2Å; L894-E1083 HydrophobicContact CD1-CB 4.16Å; L894-E1083 HydrophobicContact CD1-CG 3.85Å; L894-I1095 HydrophobicContact CD1-CD1 4.09Å; L894-I1095 HydrophobicContact CD1-CG1 4.13Å; L894-I1095 HydrophobicContact CD2-CG2 4.15Å; L894-I1095 HydrophobicContact CG-CD1 4.3Å; L894-I1095 HydrophobicContact CG-CG1 4.49Å; L894-I1095 HydrophobicContact CG-CG2 4.11Å; L894-I1099 HydrophobicContact CD1-CD1 4.02Å; L894-I1099 HydrophobicContact CD1-CG2 4.48Å; L894-P1102 HydrophobicContact CD2-CB 4.01Å; L894-R1103 CarbonylContact C-O 3.57Å; L894-R1103 WeakPolarHBondContact CA-O 3.3Å
895	S	95.6	Very high	92.3	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	-75.7	-21.8	173.9	-59.7	0	0	0	0	112.7	Y308 Y883 R884 R1103 F1104	Y308-S895 PolarHBondContact OH-OG 3.44Å; Y883-S895 CarbonylContact C-O 3.55Å; Y883-S895 VanDerWaalsContact CA-O 3.22Å; Y883-S895 WeakPolarHBondContact CA-O 3.46Å; R884-S895 PolarHBondContact N-O 3.45Å; R884-S895 WeakPolarHBondContact O-CA 3.24Å; S895-R1103 PolarHBondContact N-O 2.94Å; S895-F1104 VanDerWaalsContact OG-CA 3.29Å; S895-F1104 WeakPolarHBondContact OG-CA 2.81Å
896	E	96.7	Very high	92.7	Very high	3 Å²	3	33 Å²	33	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125.7	172.6	163.5	-179	-152.7	0	0	108.3	T290 M291 M881 S882 Y883 L894 R1103	T290-E896 WeakPolarHBondContact CB-OE1 3.4Å; T290-E896 PolarHBondContact N-OE1 2.86Å; T290-E896 PolarHBondContact N-OE2 3.48Å; T290-E896 PolarHBondContact OG1-OE1 2.92Å; M291-E896 HydrophobicContact CE-CB 3.43Å; M291-E896 VanDerWaalsContact CE-CB 3.43Å; M291-E896 PolarHBondContact N-OE2 2.87Å; M881-E896 HydrophobicContact CE-CG 3.3Å; S882-E896 WeakPolarHBondContact O-CA 3.28Å; Y883-E896 HydrophobicContact CD1-CB 4.07Å; Y883-E896 HydrophobicContact CD1-CG 4.3Å; Y883-E896 HydrophobicContact CE1-CB 4.37Å; Y883-E896 HydrophobicContact CE1-CG 4.13Å; L894-E896 VanDerWaalsContact C-N 3.29Å; L894-E896 WeakPolarHBondContact CB-O 3.2Å; E896-R1103 HydrophobicContact CB-CB 4.04Å; E896-R1103 HydrophobicContact CB-CG 4.2Å; E896-R1103 WeakPolarHBondContact OE2-CG 3.4Å
897	Y	97.3	Very high	93.4	Very high	22 Å²	22	31.6 Å²	31.6	9%	0.086	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.9	-178.5	70.4	-82.5	0	0	0	111.9	M881 S882 R884 H899	M881-Y897 WeakPolarHBondContact CE-O 3.39Å; S882-Y897 VanDerWaalsContact CB-CZ 3.45Å; S882-Y897 WeakPolarHBondContact CB-OH 3.46Å; S882-Y897 PolarHBondContact N-O 2.83Å; S882-Y897 VanDerWaalsContact O-CD1 3.32Å; S882-Y897 WeakPolarHBondContact O-CD1 3.42Å; S882-Y897 PolarHBondContact O-N 2.78Å; S882-Y897 VanDerWaalsContact O-N 3.08Å; R884-Y897 HydrophobicContact CG-CE1 4.08Å; R884-Y897 PolarHBondContact NE-OH 2.68Å; R884-Y897 PolarHBondContact NH2-OH 2.7Å; R884-Y897 VanDerWaalsContact NH2-OH 3.1Å; Y897-H899 HydrophobicContact CD2-CB 4.23Å; Y897-H899 HydrophobicContact CE2-CB 3.66Å; Y897-H899 AromaticContact CE2-CD2 3.78Å; Y897-H899 AromaticContact CE2-CG 3.51Å; Y897-H899 AromaticContact CE2-ND1 3.89Å; Y897-H899 AromaticContact CZ-ND1 3.89Å; Y897-H899 PolarHBondContact O-N 2.81Å; Y897-H899 PolarHBondContact OH-CE1 2.8Å; Y897-H899 PolarHBondContact OH-ND1 3.3Å
898	T	98.4	Very high	94.1	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.025	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.3	179.8	-54.2	0	0	0	0	109.3	R811 I879 L1082 E1083	R811-T898 PolarHBondContact NH2-OG1 3.27Å; I879-T898 HydrophobicContact CG2-CG2 3.51Å; T898-L1082 HydrophobicContact CG2-CB 4.16Å; T898-L1082 HydrophobicContact CG2-CD2 3.74Å; T898-L1082 VanDerWaalsContact O-CB 3.31Å; T898-L1082 WeakPolarHBondContact O-CB 3.37Å; T898-L1082 PolarHBondContact O-N 2.79Å; T898-E1083 WeakPolarHBondContact CB-OE1 3.29Å; T898-E1083 PolarHBondContact N-OE1 2.9Å; T898-E1083 PolarHBondContact N-OE2 2.85Å; T898-E1083 PolarHBondContact OG1-OE1 3.32Å; T898-E1083 VanDerWaalsContact OG1-OE1 3.11Å
899	H	98.3	Very high	95	Very high	13 Å²	13	23.8 Å²	23.8	6%	0.06	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.3	-175.8	-153.4	180	0	0	0	109.9	I879 A880 S882 Y897 E901 G1079	I879-H899 WeakPolarHBondContact CA-O 3.46Å; A880-H899 PolarHBondContact N-O 3.28Å; A880-H899 VanDerWaalsContact N-O 3.13Å; A880-H899 PolarHBondContact O-N 3.47Å; S882-H899 WeakPolarHBondContact OG-CB 3.36Å; S882-H899 PolarHBondContact OG-ND1 2.86Å; Y897-H899 HydrophobicContact CD2-CB 4.23Å; Y897-H899 HydrophobicContact CE2-CB 3.66Å; Y897-H899 AromaticContact CE2-CD2 3.78Å; Y897-H899 AromaticContact CE2-CG 3.51Å; Y897-H899 AromaticContact CE2-ND1 3.89Å; Y897-H899 AromaticContact CZ-ND1 3.89Å; Y897-H899 PolarHBondContact O-N 2.81Å; Y897-H899 PolarHBondContact OH-CE1 2.8Å; Y897-H899 PolarHBondContact OH-ND1 3.3Å; H899-E901 HydrophobicContact CB-CG 4.28Å; H899-E901 IonicContact CE1-OE1 2.72Å; H899-E901 PolarHBondContact CE1-OE1 3.08Å; H899-E901 VanDerWaalsContact ND1-CD 3.34Å; H899-E901 IonicContact ND1-OE1 3.94Å; H899-E901 PolarHBondContact ND1-OE1 3.37Å; H899-E901 IonicContact ND1-OE2 3.07Å; H899-G1079 WeakPolarHBondContact NE2-CA 3.42Å
900	V	98.6	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105	173.2	-178.6	0	0	0	0	107.4	F818 F822 I879 G1079 L1080 L1082	F818-V900 HydrophobicContact CD1-CG1 4.1Å; F818-V900 HydrophobicContact CE1-CG1 4.49Å; F818-V900 HydrophobicContact CG-CG1 4.48Å; F822-V900 HydrophobicContact CE2-CG1 3.79Å; F822-V900 HydrophobicContact CZ-CG1 4.22Å; I879-V900 HydrophobicContact CD1-CG2 4.33Å; I879-V900 HydrophobicContact CG1-CG1 4.26Å; I879-V900 HydrophobicContact CG1-CG2 4.15Å; I879-V900 HydrophobicContact CG2-CG2 4.27Å; V900-G1079 WeakPolarHBondContact O-CA 3.46Å; V900-L1080 HydrophobicContact CB-CB 4.24Å; V900-L1080 HydrophobicContact CB-CD2 4.14Å; V900-L1080 HydrophobicContact CG2-CD2 4.14Å; V900-L1080 PolarHBondContact N-O 3.29Å; V900-L1080 PolarHBondContact O-N 2.74Å; V900-L1082 HydrophobicContact CG2-CB 4.4Å; V900-L1082 HydrophobicContact CG2-CD1 4.37Å
901	E	98.8	Very high	96.3	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.023	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.7	-175	-61.5	179.5	101.2	0	0	110.4	S861 S862 L866 Y877 C878 H899 Y1078	S861-E901 WeakPolarHBondContact CB-OE1 3.34Å; S861-E901 PolarHBondContact OG-OE1 2.82Å; S862-E901 VanDerWaalsContact CB-OE2 3.25Å; S862-E901 WeakPolarHBondContact CB-OE2 3.17Å; S862-E901 PolarHBondContact N-OE1 3.32Å; S862-E901 PolarHBondContact N-OE2 2.88Å; S862-E901 PolarHBondContact OG-OE2 3.17Å; L866-E901 HydrophobicContact CD1-CB 3.67Å; Y877-E901 CarbonylContact C-O 3.6Å; Y877-E901 WeakPolarHBondContact CA-O 3.33Å; Y877-E901 WeakPolarHBondContact CB-O 3.32Å; C878-E901 PolarHBondContact N-O 3.01Å; C878-E901 PolarHBondContact O-N 2.85Å; H899-E901 HydrophobicContact CB-CG 4.28Å; H899-E901 IonicContact CE1-OE1 2.72Å; H899-E901 PolarHBondContact CE1-OE1 3.08Å; H899-E901 VanDerWaalsContact ND1-CD 3.34Å; H899-E901 IonicContact ND1-OE1 3.94Å; H899-E901 PolarHBondContact ND1-OE1 3.37Å; H899-E901 IonicContact ND1-OE2 3.07Å; E901-Y1078 WeakPolarHBondContact CA-O 3.41Å
902	A	98.8	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.3	177.3	0	0	0	0	0	111.7	F822 Y827 V876 G1077 Y1078	F822-A902 HydrophobicContact CE1-CB 3.62Å; F822-A902 HydrophobicContact CZ-CB 3.8Å; Y827-A902 HydrophobicContact CE1-CB 4.17Å; V876-A902 VanDerWaalsContact O-CA 3.31Å; V876-A902 WeakPolarHBondContact O-CA 3.28Å; A902-G1077 CarbonylContact O-C 3.54Å; A902-G1077 WeakPolarHBondContact O-CA 3.41Å; A902-Y1078 HydrophobicContact CB-CE1 4.19Å; A902-Y1078 HydrophobicContact CB-CE2 4.03Å; A902-Y1078 PolarHBondContact N-O 3.25Å; A902-Y1078 PolarHBondContact O-N 3.41Å
903	E	98.8	Very high	97.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.4	-177.6	-158.7	72	-150.1	0	0	110.2	L866 E867 L870 V876 R1040 H1075 G1076 G1077	L866-E903 HydrophobicContact CB-CB 3.76Å; L866-E903 HydrophobicContact CD1-CB 4.46Å; E867-E903 HydrophobicContact CG-CG 3.84Å; L870-E903 HydrophobicContact CD1-CG 3.91Å; L870-E903 VanDerWaalsContact CD2-C 3.5Å; L870-E903 HydrophobicContact CD2-CB 3.92Å; L870-E903 HydrophobicContact CD2-CG 3.91Å; L870-E903 WeakPolarHBondContact CD2-O 3.4Å; L870-E903 HydrophobicContact CG-CG 4.25Å; V876-E903 HydrophobicContact CG2-CB 4.21Å; V876-E903 PolarHBondContact N-O 2.85Å; V876-E903 PolarHBondContact O-N 2.77Å; E903-R1040 VanDerWaalsContact OE1-CG 3.25Å; E903-R1040 WeakPolarHBondContact OE1-CG 3.35Å; E903-R1040 IonicContact OE1-CZ 3.94Å; E903-R1040 IonicContact OE1-NE 3.47Å; E903-R1040 PolarHBondContact OE1-NE 3.16Å; E903-R1040 IonicContact OE1-NH2 3.36Å; E903-R1040 IonicContact OE2-CZ 3.64Å; E903-R1040 IonicContact OE2-NE 2.88Å; E903-R1040 PolarHBondContact OE2-NE 2.85Å; E903-R1040 IonicContact OE2-NH2 2.83Å; E903-R1040 PolarHBondContact OE2-NH2 3.27Å; E903-H1075 IonicContact OE1-CD2 3.3Å; E903-G1076 WeakPolarHBondContact OE1-CA 3.39Å; E903-G1077 PolarHBondContact OE1-N 2.94Å; E903-G1077 WeakPolarHBondContact OE2-CA 3.45Å
904	C	98.7	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.2	-165.1	-54.9	0	0	0	0	111.6	Y827 I907 R915 H1075 G1076	Y827-C904 PolarHBondContact OH-SG 3.31Å; C904-I907 HydrophobicContact CB-CD1 3.91Å; C904-I907 HydrophobicContact CB-CG1 4.45Å; C904-I907 HydrophobicContact CB-CG2 4.05Å; C904-R915 PolarHBondContact SG-NH1 3.03Å; C904-H1075 WeakPolarHBondContact O-CA 3.22Å; C904-H1075 WeakPolarHBondContact O-CB 3.29Å; C904-G1076 PolarHBondContact N-O 3.26Å; C904-G1076 PolarHBondContact O-N 3.04Å
905	P	98.5	Very high	97.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	153.7	179	33	-25.9	0	0	0	112.6	W151 L870 D875	W151-P905 HydrophobicContact CH2-CB 3.69Å; W151-P905 HydrophobicContact CH2-CG 4.09Å; W151-P905 HydrophobicContact CZ2-CB 4.46Å; L870-P905 HydrophobicContact CB-CB 4.11Å; L870-P905 HydrophobicContact CB-CG 4.28Å; L870-P905 HydrophobicContact CD1-CB 4.37Å; L870-P905 HydrophobicContact CD2-CG 4.34Å; D875-P905 WeakPolarHBondContact OD1-CD 3.34Å
906	F	98	Very high	98.1	Very high	29 Å²	29	21.7 Å²	21.7	13%	0.127	11%	0.111	C	C	.	.	S	Bend	trans	58.1	48.2	176.5	-49.1	-75.3	0	0	0	113.3	Y149 W151 I226 C1073 P1074	Y149-F906 HydrophobicContact CD1-CB 4.06Å; Y149-F906 AromaticContact CD1-CD1 3.7Å; Y149-F906 HydrophobicContact CD1-CD1 3.7Å; Y149-F906 HydrophobicContact CD1-CE1 4.37Å; Y149-F906 AromaticContact CD1-CG 3.99Å; Y149-F906 HydrophobicContact CD1-CG 3.99Å; Y149-F906 HydrophobicContact CG-CB 3.95Å; Y149-F906 HydrophobicContact CG-CD1 4.12Å; Y149-F906 AromaticContact CG-CG 3.96Å; Y149-F906 HydrophobicContact CG-CG 3.96Å; W151-F906 HydrophobicContact CD2-CZ 4.29Å; W151-F906 HydrophobicContact CE3-CE2 4.09Å; W151-F906 HydrophobicContact CE3-CZ 4.28Å; W151-F906 HydrophobicContact CH2-CD2 4.37Å; W151-F906 AromaticContact CH2-CE2 3.46Å; W151-F906 HydrophobicContact CH2-CE2 3.46Å; W151-F906 VanDerWaalsContact CH2-CE2 3.46Å; W151-F906 AromaticContact CH2-CZ 3.88Å; W151-F906 HydrophobicContact CH2-CZ 3.88Å; W151-F906 AromaticContact CZ2-CE2 3.95Å; W151-F906 HydrophobicContact CZ2-CE2 3.95Å; W151-F906 AromaticContact CZ2-CZ 3.87Å; W151-F906 HydrophobicContact CZ2-CZ 3.87Å; W151-F906 AromaticContact CZ3-CE2 3.54Å; W151-F906 HydrophobicContact CZ3-CE2 3.54Å; W151-F906 HydrophobicContact CZ3-CZ 4.08Å; I226-F906 HydrophobicContact CD1-CD1 3.95Å; I226-F906 HydrophobicContact CD1-CE1 3.8Å; F906-C1073 HydrophobicContact CD1-CB 3.67Å; F906-C1073 HydrophobicContact CE1-CB 3.34Å; F906-C1073 HydrophobicContact CG-CB 4.46Å; F906-C1073 HydrophobicContact CZ-CB 3.91Å; F906-P1074 WeakPolarHBondContact CA-O 3.32Å; F906-P1074 PolarHBondContact N-O 3.23Å
907	I	97.9	Very high	98	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	12%	0.115	C	C	.	.			trans	-118.5	159.5	175.9	69.6	166.4	0	0	0	111.5	C904 E911 L912 M1039 P1074	C904-I907 HydrophobicContact CB-CD1 3.91Å; C904-I907 HydrophobicContact CB-CG1 4.45Å; C904-I907 HydrophobicContact CB-CG2 4.05Å; I907-E911 WeakPolarHBondContact CA-OE2 3.45Å; I907-E911 HydrophobicContact CB-CB 4.19Å; I907-L912 HydrophobicContact CD1-CB 3.99Å; I907-L912 HydrophobicContact CD1-CD1 4.26Å; I907-M1039 HydrophobicContact CD1-SD 4.17Å; I907-M1039 HydrophobicContact CG1-CE 3.95Å; I907-M1039 HydrophobicContact CG1-SD 4.07Å; I907-M1039 WeakPolarHBondContact O-CE 3.39Å; I907-P1074 PolarHBondContact N-O 2.79Å
908	T	97.7	Very high	98.1	Very high	75 Å²	75	23.6 Å²	23.6	46%	0.46	12%	0.122	S	C	.	.			trans	-98.2	166.4	167.4	60.8	0	0	0	0	110.9	D910 E911 L912	T908-D910 VanDerWaalsContact C-N 3.26Å; T908-D910 PolarHBondContact O-N 3.38Å; T908-E911 PolarHBondContact N-OE2 3.46Å; T908-E911 PolarHBondContact O-N 3.36Å; T908-E911 WeakPolarHBondContact OG1-CG 3.47Å; T908-E911 PolarHBondContact OG1-N 3.1Å; T908-E911 PolarHBondContact OG1-OE2 2.86Å; T908-L912 PolarHBondContact O-N 2.92Å
909	F	98	Very high	98	Very high	20 Å²	20	23.4 Å²	23.4	9%	0.088	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-35.3	174.8	-174	-124.7	0	0	0	112.8	L912 L913 H1000 E1022 S1023 V1024 M1039	F909-L912 HydrophobicContact CD2-CD2 4.16Å; F909-L912 HydrophobicContact CE2-CD2 4.33Å; F909-L912 WeakPolarHBondContact O-CB 3.47Å; F909-L912 PolarHBondContact O-N 3.03Å; F909-L913 HydrophobicContact CE1-CD1 4.22Å; F909-L913 HydrophobicContact CE2-CD2 4.49Å; F909-L913 HydrophobicContact CZ-CD2 4.25Å; F909-L913 WeakPolarHBondContact O-CG 3.36Å; F909-L913 PolarHBondContact O-N 2.82Å; F909-L913 VanDerWaalsContact O-N 3.11Å; F909-H1000 HydrophobicContact CE1-CB 4.3Å; F909-H1000 HydrophobicContact CZ-CB 4Å; F909-E1022 HydrophobicContact CB-CB 4.48Å; F909-E1022 HydrophobicContact CD2-CB 4Å; F909-E1022 VanDerWaalsContact CE2-C 3.44Å; F909-E1022 HydrophobicContact CE2-CB 4.42Å; F909-E1022 WeakPolarHBondContact CE2-O 3.42Å; F909-E1022 HydrophobicContact CG-CB 4.16Å; F909-S1023 WeakPolarHBondContact CZ-O 3.29Å; F909-V1024 HydrophobicContact CE2-CB 4.19Å; F909-V1024 HydrophobicContact CE2-CG1 4.14Å; F909-V1024 HydrophobicContact CZ-CB 4.09Å; F909-M1039 HydrophobicContact CB-CG 3.9Å; F909-M1039 HydrophobicContact CD2-CG 3.93Å; F909-M1039 HydrophobicContact CG-CG 4.37Å
910	D	97.4	Very high	98	Very high	77 Å²	77	22.8 Å²	22.8	41%	0.412	12%	0.118	S	C	.	.	H	α-helix	trans	-67	-39.3	176.5	-169	68.3	0	0	0	112.2	T908 L912 L913 C914 R952	T908-D910 VanDerWaalsContact C-N 3.26Å; T908-D910 PolarHBondContact O-N 3.38Å; D910-L912 VanDerWaalsContact C-N 3.31Å; D910-L912 PolarHBondContact O-N 3.35Å; D910-L913 PolarHBondContact O-N 3.16Å; D910-C914 PolarHBondContact O-N 3.47Å; D910-C914 PolarHBondContact O-SG 3.21Å; D910-C914 VanDerWaalsContact O-SG 3.36Å; D910-R952 IonicContact OD1-CZ 3.56Å; D910-R952 IonicContact OD1-NH1 3.96Å; D910-R952 PolarHBondContact OD1-NH1 2.89Å; D910-R952 IonicContact OD1-NH2 2.7Å; D910-R952 PolarHBondContact OD1-NH2 3.39Å
911	E	97.5	Very high	97.9	Very high	87 Å²	87	23.5 Å²	23.5	41%	0.407	12%	0.123	S	C	.	.	H	α-helix	trans	-66.3	-33.1	174.1	-72.8	168.3	132.9	0	0	112.2	I907 T908 C914 R915	I907-E911 WeakPolarHBondContact CA-OE2 3.45Å; I907-E911 HydrophobicContact CB-CB 4.19Å; T908-E911 PolarHBondContact N-OE2 3.46Å; T908-E911 PolarHBondContact O-N 3.36Å; T908-E911 WeakPolarHBondContact OG1-CG 3.47Å; T908-E911 PolarHBondContact OG1-N 3.1Å; T908-E911 PolarHBondContact OG1-OE2 2.86Å; E911-C914 PolarHBondContact O-N 3.36Å; E911-R915 VanDerWaalsContact O-CG 3.29Å; E911-R915 WeakPolarHBondContact O-CG 3.5Å; E911-R915 PolarHBondContact O-N 3.34Å
912	L	98.4	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-48.3	170.8	179.5	62.2	0	0	0	111	I907 T908 F909 D910 C914 R915 L916 V1024 M1039 Y1078	I907-L912 HydrophobicContact CD1-CB 3.99Å; I907-L912 HydrophobicContact CD1-CD1 4.26Å; T908-L912 PolarHBondContact O-N 2.92Å; F909-L912 HydrophobicContact CD2-CD2 4.16Å; F909-L912 HydrophobicContact CE2-CD2 4.33Å; F909-L912 WeakPolarHBondContact O-CB 3.47Å; F909-L912 PolarHBondContact O-N 3.03Å; D910-L912 VanDerWaalsContact C-N 3.31Å; D910-L912 PolarHBondContact O-N 3.35Å; L912-C914 VanDerWaalsContact C-N 3.34Å; L912-C914 PolarHBondContact O-N 2.82Å; L912-R915 PolarHBondContact O-N 3.31Å; L912-L916 HydrophobicContact CG-CD1 4.48Å; L912-L916 WeakPolarHBondContact O-CG 3.43Å; L912-L916 PolarHBondContact O-N 2.91Å; L912-V1024 HydrophobicContact CD2-CG1 4.4Å; L912-M1039 HydrophobicContact CB-SD 4.33Å; L912-M1039 HydrophobicContact CD2-SD 4.23Å; L912-Y1078 HydrophobicContact CD1-CD1 3.84Å
913	L	98.2	Very high	97.8	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-59.5	-44.2	176.6	-62.5	178.9	0	0	0	111.8	F909 D910 R915 L916 E917 F998 V1024	F909-L913 HydrophobicContact CE1-CD1 4.22Å; F909-L913 HydrophobicContact CE2-CD2 4.49Å; F909-L913 HydrophobicContact CZ-CD2 4.25Å; F909-L913 WeakPolarHBondContact O-CG 3.36Å; F909-L913 PolarHBondContact O-N 2.82Å; F909-L913 VanDerWaalsContact O-N 3.11Å; D910-L913 PolarHBondContact O-N 3.16Å; L913-R915 VanDerWaalsContact C-N 3.33Å; L913-R915 PolarHBondContact O-N 2.84Å; L913-L916 PolarHBondContact O-N 2.9Å; L913-E917 PolarHBondContact O-N 2.76Å; L913-F998 HydrophobicContact CB-CE2 4.42Å; L913-F998 HydrophobicContact CD2-CB 4.37Å; L913-F998 HydrophobicContact CD2-CD1 4.44Å; L913-F998 HydrophobicContact CD2-CD2 4.26Å; L913-F998 HydrophobicContact CD2-CG 4.13Å; L913-V1024 HydrophobicContact CD2-CB 3.73Å; L913-V1024 HydrophobicContact CD2-CG1 3.84Å; L913-V1024 HydrophobicContact CD2-CG2 3.5Å
914	C	97.6	Very high	97.7	Very high	51 Å²	51	24.7 Å²	24.7	35%	0.345	13%	0.129	S	C	.	.	H	α-helix	trans	-60.6	-39.2	175.9	-73.2	0	0	0	0	112.5	D910 E911 L912 E917 D918	D910-C914 PolarHBondContact O-N 3.47Å; D910-C914 PolarHBondContact O-SG 3.21Å; D910-C914 VanDerWaalsContact O-SG 3.36Å; E911-C914 PolarHBondContact O-N 3.36Å; L912-C914 VanDerWaalsContact C-N 3.34Å; L912-C914 PolarHBondContact O-N 2.82Å; C914-E917 WeakPolarHBondContact O-CG 2.94Å; C914-D918 WeakPolarHBondContact O-CB 3.4Å; C914-D918 PolarHBondContact O-N 2.91Å; C914-D918 VanDerWaalsContact O-N 3.16Å
915	R	97.8	Very high	97.7	Very high	58 Å²	58	29.3 Å²	29.3	22%	0.219	15%	0.149	C	C	.	.	H	α-helix	trans	-67.2	-39.3	175.5	-73	175.9	-172.4	-136.9	8.6	111.7	Y827 D875 C904 E911 L912 L913 D918 I919	Y827-R915 PolarHBondContact OH-NH1 3.26Å; D875-R915 IonicContact OD1-CZ 2.73Å; D875-R915 IonicContact OD1-NH1 3.44Å; D875-R915 PolarHBondContact OD1-NH1 2.77Å; D875-R915 IonicContact OD1-NH2 3.32Å; C904-R915 PolarHBondContact SG-NH1 3.03Å; E911-R915 VanDerWaalsContact O-CG 3.29Å; E911-R915 WeakPolarHBondContact O-CG 3.5Å; E911-R915 PolarHBondContact O-N 3.34Å; L912-R915 PolarHBondContact O-N 3.31Å; L913-R915 VanDerWaalsContact C-N 3.33Å; L913-R915 PolarHBondContact O-N 2.84Å; R915-D918 PolarHBondContact O-N 2.59Å; R915-I919 PolarHBondContact O-N 2.72Å
916	L	98.1	Very high	97.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-44.9	178.2	-76	176.4	0	0	0	113.2	L912 L913 D918 I919 V920 F998 V1024 V1035 Y1078	L912-L916 HydrophobicContact CG-CD1 4.48Å; L912-L916 WeakPolarHBondContact O-CG 3.43Å; L912-L916 PolarHBondContact O-N 2.91Å; L913-L916 PolarHBondContact O-N 2.9Å; L916-D918 PolarHBondContact O-N 2.81Å; L916-I919 VanDerWaalsContact O-CG2 3.27Å; L916-I919 WeakPolarHBondContact O-CG2 3.42Å; L916-V920 VanDerWaalsContact O-CG2 3.22Å; L916-V920 WeakPolarHBondContact O-CG2 3.37Å; L916-V920 PolarHBondContact O-N 3.05Å; L916-F998 HydrophobicContact CB-CE1 3.73Å; L916-F998 HydrophobicContact CB-CZ 3.75Å; L916-F998 HydrophobicContact CD1-CE1 4.24Å; L916-V1024 HydrophobicContact CD1-CG1 3.5Å; L916-V1024 HydrophobicContact CD1-CG2 4.45Å; L916-V1035 HydrophobicContact CD2-CG1 3.61Å; L916-Y1078 HydrophobicContact CD2-CD1 3.58Å; L916-Y1078 HydrophobicContact CD2-CD2 3.7Å; L916-Y1078 HydrophobicContact CD2-CE1 4.1Å; L916-Y1078 HydrophobicContact CD2-CE2 4.19Å; L916-Y1078 HydrophobicContact CD2-CG 3.36Å; L916-Y1078 HydrophobicContact CG-CD1 4.19Å; L916-Y1078 HydrophobicContact CG-CG 4.37Å
917	E	96.2	Very high	97.6	Very high	23 Å²	23	31.6 Å²	31.6	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-67.2	-32.5	176.1	60.2	174.4	-130.6	0	0	110.8	L913 C914 C921 K948 F950 F998	L913-E917 PolarHBondContact O-N 2.76Å; C914-E917 WeakPolarHBondContact O-CG 2.94Å; E917-C921 WeakPolarHBondContact O-CB 3.5Å; E917-C921 PolarHBondContact O-N 3.07Å; E917-C921 VanDerWaalsContact O-N 3.1Å; E917-C921 PolarHBondContact O-SG 3.2Å; E917-C921 VanDerWaalsContact O-SG 3.34Å; E917-K948 HydrophobicContact CB-CG 4.45Å; E917-K948 HydrophobicContact CG-CD 4.32Å; E917-K948 WeakPolarHBondContact O-CE 3.12Å; E917-K948 WeakPolarHBondContact OE1-CD 3.48Å; E917-F950 HydrophobicContact CB-CD2 4.03Å; E917-F950 HydrophobicContact CB-CE2 4.1Å; E917-F950 HydrophobicContact CB-CG 4.25Å; E917-F950 HydrophobicContact CB-CZ 4.37Å; E917-F998 HydrophobicContact CB-CE2 3.99Å; E917-F998 HydrophobicContact CB-CZ 3.86Å
918	D	97.7	Very high	97.5	Very high	41 Å²	41	33.2 Å²	33.2	22%	0.219	17%	0.166	C	C	.	.	H	α-helix	trans	-69.1	-45	-179.5	-170.3	51.6	0	0	0	113.3	H821 R825 C914 R915 L916 D922 K948	H821-D918 IonicContact CE1-OD2 3.38Å; R825-D918 IonicContact CZ-OD2 3.57Å; R825-D918 IonicContact NE-OD2 2.79Å; R825-D918 PolarHBondContact NE-OD2 2.89Å; R825-D918 VanDerWaalsContact NH2-CG 3.29Å; R825-D918 IonicContact NH2-OD1 3.68Å; R825-D918 PolarHBondContact NH2-OD1 2.99Å; R825-D918 IonicContact NH2-OD2 3.71Å; R825-D918 PolarHBondContact NH2-OD2 2.78Å; C914-D918 WeakPolarHBondContact O-CB 3.4Å; C914-D918 PolarHBondContact O-N 2.91Å; C914-D918 VanDerWaalsContact O-N 3.16Å; R915-D918 PolarHBondContact O-N 2.59Å; L916-D918 PolarHBondContact O-N 2.81Å; D918-D922 WeakPolarHBondContact O-CB 3.43Å; D918-D922 PolarHBondContact O-N 2.88Å; D918-K948 VanDerWaalsContact CA-NZ 3.33Å; D918-K948 IonicContact OD1-NZ 2.64Å; D918-K948 PolarHBondContact OD1-NZ 3.35Å
919	I	97.8	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-42.5	176.6	-168.9	167	0	0	0	112.1	F818 H821 F822 R915 L916 V923 Y1078	F818-I919 HydrophobicContact CD1-CD1 3.88Å; F818-I919 HydrophobicContact CD1-CG1 4.06Å; F818-I919 HydrophobicContact CE1-CD1 3.98Å; F818-I919 HydrophobicContact CE1-CG1 3.96Å; H821-I919 WeakPolarHBondContact CE1-CA 3.46Å; H821-I919 WeakPolarHBondContact NE2-CB 3.24Å; F822-I919 HydrophobicContact CE1-CD1 3.91Å; F822-I919 HydrophobicContact CE2-CD1 3.88Å; F822-I919 HydrophobicContact CZ-CD1 3.4Å; R915-I919 PolarHBondContact O-N 2.72Å; L916-I919 VanDerWaalsContact O-CG2 3.27Å; L916-I919 WeakPolarHBondContact O-CG2 3.42Å; I919-V923 HydrophobicContact CG1-CG2 3.91Å; I919-V923 WeakPolarHBondContact O-CB 3.47Å; I919-V923 WeakPolarHBondContact O-CG2 3.45Å; I919-V923 PolarHBondContact O-N 3.04Å; I919-Y1078 HydrophobicContact CD1-CE2 4.08Å; I919-Y1078 HydrophobicContact CG2-CE2 4.42Å
920	V	97.3	Very high	97.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-50.5	-179.9	175.2	0	0	0	0	110.9	L916 A924 P946 F950 L1026 M1028 F1085 W1088	L916-V920 VanDerWaalsContact O-CG2 3.22Å; L916-V920 WeakPolarHBondContact O-CG2 3.37Å; L916-V920 PolarHBondContact O-N 3.05Å; V920-A924 VanDerWaalsContact O-CB 3.24Å; V920-A924 WeakPolarHBondContact O-CB 3.37Å; V920-A924 PolarHBondContact O-N 2.98Å; V920-A924 VanDerWaalsContact O-N 3.08Å; V920-P946 HydrophobicContact CG1-CG 4.02Å; V920-F950 HydrophobicContact CB-CE2 4.09Å; V920-F950 HydrophobicContact CB-CZ 4.14Å; V920-F950 HydrophobicContact CG1-CE2 4.02Å; V920-F950 HydrophobicContact CG1-CZ 3.88Å; V920-F950 HydrophobicContact CG2-CE2 4.42Å; V920-L1026 HydrophobicContact CG2-CD2 3.41Å; V920-L1026 VanDerWaalsContact CG2-CD2 3.41Å; V920-M1028 HydrophobicContact CG1-CE 4.34Å; V920-F1085 HydrophobicContact CB-CE2 4.48Å; V920-F1085 HydrophobicContact CG1-CE2 4.19Å; V920-F1085 HydrophobicContact CG2-CE2 4.26Å; V920-W1088 HydrophobicContact CG1-CH2 4.08Å; V920-W1088 HydrophobicContact CG1-CZ3 4.13Å
921	C	97.2	Very high	96.8	Very high	15 Å²	15	37.4 Å²	37.4	10%	0.101	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-45.1	-179.7	-70.1	0	0	0	0	112.5	E917 K925 P946	E917-C921 WeakPolarHBondContact O-CB 3.5Å; E917-C921 PolarHBondContact O-N 3.07Å; E917-C921 VanDerWaalsContact O-N 3.1Å; E917-C921 PolarHBondContact O-SG 3.2Å; E917-C921 VanDerWaalsContact O-SG 3.34Å; C921-K925 VanDerWaalsContact O-CB 3.27Å; C921-K925 WeakPolarHBondContact O-CB 3.24Å; C921-K925 PolarHBondContact O-N 3.1Å; C921-P946 PolarHBondContact SG-O 3.2Å
922	D	98	Very high	96.6	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.16	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-42.3	-177.5	-173.8	58.4	0	0	0	111.6	H821 R825 D918 K925 R926	H821-D922 IonicContact CE1-OD2 2.96Å; H821-D922 IonicContact CG-OD2 3.56Å; H821-D922 IonicContact ND1-OD2 3.51Å; H821-D922 PolarHBondContact ND1-OD2 2.82Å; R825-D922 IonicContact CZ-OD2 2.8Å; R825-D922 IonicContact NH1-OD2 3.97Å; R825-D922 PolarHBondContact NH1-OD2 2.9Å; R825-D922 IonicContact NH2-OD1 3.26Å; R825-D922 IonicContact NH2-OD2 2.77Å; R825-D922 PolarHBondContact NH2-OD2 2.81Å; D918-D922 WeakPolarHBondContact O-CB 3.43Å; D918-D922 PolarHBondContact O-N 2.88Å; D922-K925 PolarHBondContact O-N 2.83Å; D922-R926 VanDerWaalsContact CG-NE 3.33Å; D922-R926 WeakPolarHBondContact O-CB 3.44Å; D922-R926 WeakPolarHBondContact O-CG 3.16Å; D922-R926 PolarHBondContact O-N 3.34Å; D922-R926 IonicContact OD1-CZ 3.98Å; D922-R926 IonicContact OD1-NE 3.65Å; D922-R926 PolarHBondContact OD1-NE 2.81Å; D922-R926 IonicContact OD1-NH2 2.93Å; D922-R926 IonicContact OD2-CZ 3.92Å; D922-R926 IonicContact OD2-NE 3.93Å; D922-R926 PolarHBondContact OD2-NE 2.8Å; D922-R926 IonicContact OD2-NH2 3.91Å; D922-R926 PolarHBondContact OD2-NH2 2.65Å; D922-R926 VanDerWaalsContact OD2-NH2 3.16Å
923	V	98.2	Very high	96.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-46.5	177.2	171.5	0	0	0	0	111	L814 A817 F818 H821 I919 K925 R926 V927 F1085	L814-V923 HydrophobicContact CD1-CG1 3.53Å; A817-V923 HydrophobicContact CB-CG1 4Å; F818-V923 HydrophobicContact CD1-CG1 4.28Å; F818-V923 HydrophobicContact CD1-CG2 3.67Å; F818-V923 HydrophobicContact CD2-CG1 4.03Å; F818-V923 HydrophobicContact CE1-CB 4.37Å; F818-V923 HydrophobicContact CE1-CG1 4.15Å; F818-V923 HydrophobicContact CE1-CG2 3.9Å; F818-V923 HydrophobicContact CE2-CG1 3.91Å; F818-V923 HydrophobicContact CG-CG1 4.2Å; F818-V923 HydrophobicContact CG-CG2 4.12Å; F818-V923 HydrophobicContact CZ-CG1 3.95Å; H821-V923 HydrophobicContact CB-CG2 3.89Å; I919-V923 HydrophobicContact CG1-CG2 3.91Å; I919-V923 WeakPolarHBondContact O-CB 3.47Å; I919-V923 WeakPolarHBondContact O-CG2 3.45Å; I919-V923 PolarHBondContact O-N 3.04Å; V923-K925 VanDerWaalsContact C-N 3.28Å; V923-K925 PolarHBondContact O-N 3.05Å; V923-R926 PolarHBondContact O-N 2.84Å; V923-V927 HydrophobicContact CG1-CG2 4.49Å; V923-V927 WeakPolarHBondContact O-CG2 3.41Å; V923-V927 PolarHBondContact O-N 3.44Å; V923-F1085 HydrophobicContact CG1-CE1 4.16Å; V923-F1085 HydrophobicContact CG1-CZ 4.26Å
924	A	96.6	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-44	175.4	0	0	0	0	0	111.4	V920 V927 I928 F943 I945 W1088	V920-A924 VanDerWaalsContact O-CB 3.24Å; V920-A924 WeakPolarHBondContact O-CB 3.37Å; V920-A924 PolarHBondContact O-N 2.98Å; V920-A924 VanDerWaalsContact O-N 3.08Å; A924-V927 PolarHBondContact O-N 2.96Å; A924-I928 WeakPolarHBondContact O-CG1 3.23Å; A924-I928 PolarHBondContact O-N 2.94Å; A924-I928 VanDerWaalsContact O-N 3.08Å; A924-F943 HydrophobicContact CB-CZ 4.16Å; A924-I945 HydrophobicContact CB-CG2 4.43Å; A924-W1088 HydrophobicContact CB-CH2 4.39Å
925	K	97.1	Very high	96.1	Very high	97 Å²	97	37.2 Å²	37.2	42%	0.422	19%	0.185	S	C	.	.	H	α-helix	trans	-60.4	-49.9	175.6	-177.1	-179.9	177.4	-176.7	0	112.1	C921 D922 V923 V927 I928 E929 I945	C921-K925 VanDerWaalsContact O-CB 3.27Å; C921-K925 WeakPolarHBondContact O-CB 3.24Å; C921-K925 PolarHBondContact O-N 3.1Å; D922-K925 PolarHBondContact O-N 2.83Å; V923-K925 VanDerWaalsContact C-N 3.28Å; V923-K925 PolarHBondContact O-N 3.05Å; K925-V927 VanDerWaalsContact C-N 3.29Å; K925-V927 PolarHBondContact O-N 3.37Å; K925-I928 PolarHBondContact O-N 3.13Å; K925-E929 WeakPolarHBondContact CE-OE1 3.21Å; K925-E929 WeakPolarHBondContact CE-OE2 3.25Å; K925-E929 HydrophobicContact CG-CG 4.3Å; K925-E929 IonicContact NZ-OE1 2.85Å; K925-E929 WeakPolarHBondContact O-CB 3.37Å; K925-E929 WeakPolarHBondContact O-CG 3.33Å; K925-E929 PolarHBondContact O-N 3.3Å; K925-I945 HydrophobicContact CB-CD1 4.17Å; K925-I945 HydrophobicContact CG-CD1 4.46Å
926	R	97.6	Very high	96	Very high	75 Å²	75	34.5 Å²	34.5	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-59.2	-37	179	-74.4	169.3	-172.9	-79.7	-2.9	113	A817 S824 D922 V923 S930	A817-R926 HydrophobicContact CB-CB 3.86Å; S824-R926 PolarHBondContact OG-NH2 3.4Å; D922-R926 VanDerWaalsContact CG-NE 3.33Å; D922-R926 WeakPolarHBondContact O-CB 3.44Å; D922-R926 WeakPolarHBondContact O-CG 3.16Å; D922-R926 PolarHBondContact O-N 3.34Å; D922-R926 IonicContact OD1-CZ 3.98Å; D922-R926 IonicContact OD1-NE 3.65Å; D922-R926 PolarHBondContact OD1-NE 2.81Å; D922-R926 IonicContact OD1-NH2 2.93Å; D922-R926 IonicContact OD2-CZ 3.92Å; D922-R926 IonicContact OD2-NE 3.93Å; D922-R926 PolarHBondContact OD2-NE 2.8Å; D922-R926 IonicContact OD2-NH2 3.91Å; D922-R926 PolarHBondContact OD2-NH2 2.65Å; D922-R926 VanDerWaalsContact OD2-NH2 3.16Å; V923-R926 PolarHBondContact O-N 2.84Å; R926-S930 WeakPolarHBondContact O-CB 3.5Å; R926-S930 PolarHBondContact O-N 3.25Å
927	V	96.9	Very high	95.9	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-68.8	-48	176.5	174.3	0	0	0	0	110.5	Q813 L814 A817 V923 A924 K925 E929 S930 G933 V936	Q813-V927 HydrophobicContact CG-CG1 4.49Å; L814-V927 HydrophobicContact CB-CG2 4.44Å; L814-V927 HydrophobicContact CD1-CG2 3.82Å; A817-V927 HydrophobicContact CB-CG2 3.71Å; V923-V927 HydrophobicContact CG1-CG2 4.49Å; V923-V927 WeakPolarHBondContact O-CG2 3.41Å; V923-V927 PolarHBondContact O-N 3.44Å; A924-V927 PolarHBondContact O-N 2.96Å; K925-V927 VanDerWaalsContact C-N 3.29Å; K925-V927 PolarHBondContact O-N 3.37Å; V927-E929 VanDerWaalsContact C-N 3.32Å; V927-E929 PolarHBondContact O-N 2.82Å; V927-S930 WeakPolarHBondContact O-CB 3.25Å; V927-S930 PolarHBondContact O-N 3.49Å; V927-S930 PolarHBondContact O-OG 2.75Å; V927-G933 VanDerWaalsContact O-CA 3.27Å; V927-G933 WeakPolarHBondContact O-CA 3.5Å; V927-V936 HydrophobicContact CG1-CG2 3.71Å
928	I	96.5	Very high	95.9	Very high	40 Å²	40	42 Å²	42	21%	0.205	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-35.5	179.5	-65.9	-51.8	0	0	0	112.5	A924 K925 S930 V936 M937 F943 I945	A924-I928 WeakPolarHBondContact O-CG1 3.23Å; A924-I928 PolarHBondContact O-N 2.94Å; A924-I928 VanDerWaalsContact O-N 3.08Å; K925-I928 PolarHBondContact O-N 3.13Å; I928-S930 VanDerWaalsContact C-N 3.29Å; I928-S930 PolarHBondContact O-N 2.53Å; I928-V936 HydrophobicContact CD1-CB 3.79Å; I928-V936 HydrophobicContact CD1-CG1 3.66Å; I928-V936 HydrophobicContact CD1-CG2 4.28Å; I928-M937 HydrophobicContact CD1-CE 3.91Å; I928-M937 HydrophobicContact CG1-CE 4.48Å; I928-M937 HydrophobicContact CG2-CE 4.13Å; I928-F943 HydrophobicContact CD1-CD1 3.86Å; I928-F943 HydrophobicContact CD1-CE1 3.95Å; I928-F943 HydrophobicContact CG1-CD1 4.17Å; I928-F943 HydrophobicContact CG1-CE1 3.87Å; I928-I945 HydrophobicContact CG1-CG1 4.44Å
929	E	96.1	Very high	95.8	Very high	136 Å²	136	40.6 Å²	40.6	64%	0.636	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.9	178.3	-67.7	177.9	167.2	0	0	113.8	K925 V927	K925-E929 WeakPolarHBondContact CE-OE1 3.21Å; K925-E929 WeakPolarHBondContact CE-OE2 3.25Å; K925-E929 HydrophobicContact CG-CG 4.3Å; K925-E929 IonicContact NZ-OE1 2.85Å; K925-E929 WeakPolarHBondContact O-CB 3.37Å; K925-E929 WeakPolarHBondContact O-CG 3.33Å; K925-E929 PolarHBondContact O-N 3.3Å; V927-E929 VanDerWaalsContact C-N 3.32Å; V927-E929 PolarHBondContact O-N 2.82Å
930	S	94.4	Very high	95.7	Very high	27 Å²	27	42 Å²	42	19%	0.189	21%	0.211	C	C	.	.	S	Bend	trans	-81.3	169.9	178.3	76.4	0	0	0	0	113.1	Q813 R926 V927 I928 E932 G933	Q813-S930 VanDerWaalsContact CD-CB 3.47Å; Q813-S930 VanDerWaalsContact CG-OG 3.29Å; Q813-S930 WeakPolarHBondContact CG-OG 3.45Å; R926-S930 WeakPolarHBondContact O-CB 3.5Å; R926-S930 PolarHBondContact O-N 3.25Å; V927-S930 WeakPolarHBondContact O-CB 3.25Å; V927-S930 PolarHBondContact O-N 3.49Å; V927-S930 PolarHBondContact O-OG 2.75Å; I928-S930 VanDerWaalsContact C-N 3.29Å; I928-S930 PolarHBondContact O-N 2.53Å; S930-E932 PolarHBondContact O-N 2.76Å; S930-E932 PolarHBondContact OG-N 3.3Å; S930-G933 PolarHBondContact O-N 2.95Å; S930-G933 PolarHBondContact OG-N 3.08Å
931	C	88.7	Confident	95.6	Very high	96 Å²	96	46.9 Å²	46.9	65%	0.649	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.5	173.6	58.7	0	0	0	0	112.8	G933 H934	C931-G933 VanDerWaalsContact C-N 3.35Å; C931-H934 PolarHBondContact O-CE1 3.3Å; C931-H934 VanDerWaalsContact O-CE1 3.25Å; C931-H934 PolarHBondContact O-ND1 3.29Å
932	E	91.6	Very high	95.4	Very high	27 Å²	27	55.1 Å²	55.1	13%	0.126	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.9	178.4	-54.2	-48.1	139.9	0	0	113.4	Q813 S930 H934 L935	Q813-E932 HydrophobicContact CB-CB 4.32Å; Q813-E932 HydrophobicContact CB-CG 4.48Å; Q813-E932 HydrophobicContact CG-CB 4.38Å; S930-E932 PolarHBondContact O-N 2.76Å; S930-E932 PolarHBondContact OG-N 3.3Å; E932-H934 PolarHBondContact O-N 3.24Å; E932-H934 IonicContact OE2-CE1 3.59Å; E932-L935 HydrophobicContact CB-CD1 4.26Å; E932-L935 VanDerWaalsContact O-CB 3.3Å; E932-L935 WeakPolarHBondContact O-CB 3.41Å; E932-L935 PolarHBondContact O-N 3.19Å; E932-L935 WeakPolarHBondContact OE2-CD1 3.23Å
933	G	93.6	Very high	95.2	Very high	4 Å²	4	54.4 Å²	54.4	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-30.9	-179.2	0	0	0	0	0	113.3	V927 S930 C931 L935 V936 M937	V927-G933 VanDerWaalsContact O-CA 3.27Å; V927-G933 WeakPolarHBondContact O-CA 3.5Å; S930-G933 PolarHBondContact O-N 2.95Å; S930-G933 PolarHBondContact OG-N 3.08Å; C931-G933 VanDerWaalsContact C-N 3.35Å; G933-L935 VanDerWaalsContact C-N 3.28Å; G933-L935 PolarHBondContact O-N 2.83Å; G933-V936 WeakPolarHBondContact O-CB 3.33Å; G933-V936 PolarHBondContact O-N 2.82Å; G933-M937 PolarHBondContact O-N 2.87Å
934	H	94.3	Very high	95	Very high	99 Å²	99	62.7 Å²	62.7	46%	0.458	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-34	174.5	71.8	-76.4	0	0	0	112.6	C931 E932 V936 M937 E938	C931-H934 PolarHBondContact O-CE1 3.3Å; C931-H934 VanDerWaalsContact O-CE1 3.25Å; C931-H934 PolarHBondContact O-ND1 3.29Å; E932-H934 PolarHBondContact O-N 3.24Å; E932-H934 IonicContact OE2-CE1 3.59Å; H934-V936 VanDerWaalsContact C-N 3.31Å; H934-V936 PolarHBondContact O-N 2.93Å; H934-M937 PolarHBondContact O-N 2.87Å; H934-M937 VanDerWaalsContact O-N 3.12Å; H934-E938 IonicContact CD2-OE1 3.81Å; H934-E938 PolarHBondContact O-N 3.5Å
935	L	96	Very high	94.8	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-34.4	177.4	-59.4	-174	0	0	0	112.2	K806 K809 V810 E932 G933 M937 E938 L939	K806-L935 HydrophobicContact CB-CD1 4.36Å; K806-L935 HydrophobicContact CB-CD2 4.47Å; K806-L935 HydrophobicContact CD-CD2 4.14Å; K806-L935 HydrophobicContact CG-CD1 4.41Å; K806-L935 HydrophobicContact CG-CD2 3.88Å; K809-L935 HydrophobicContact CB-CD1 3.78Å; K809-L935 HydrophobicContact CD-CD1 3.95Å; V810-L935 HydrophobicContact CG2-CB 3.68Å; V810-L935 HydrophobicContact CG2-CD1 4.39Å; E932-L935 HydrophobicContact CB-CD1 4.26Å; E932-L935 VanDerWaalsContact O-CB 3.3Å; E932-L935 WeakPolarHBondContact O-CB 3.41Å; E932-L935 PolarHBondContact O-N 3.19Å; E932-L935 WeakPolarHBondContact OE2-CD1 3.23Å; G933-L935 VanDerWaalsContact C-N 3.28Å; G933-L935 PolarHBondContact O-N 2.83Å; L935-M937 VanDerWaalsContact C-N 3.3Å; L935-M937 PolarHBondContact O-N 3.18Å; L935-E938 PolarHBondContact O-N 3.03Å; L935-L939 WeakPolarHBondContact O-CB 3.47Å; L935-L939 VanDerWaalsContact O-CG 3.28Å; L935-L939 WeakPolarHBondContact O-CG 3.42Å; L935-L939 PolarHBondContact O-N 2.83Å
936	V	96.6	Very high	94.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-41.6	173.8	178.8	0	0	0	0	110.4	V810 V927 I928 G933 H934 L939 N940 F943 V1089	V810-V936 HydrophobicContact CG1-CG2 3.76Å; V810-V936 HydrophobicContact CG2-CG2 3.98Å; V927-V936 HydrophobicContact CG1-CG2 3.71Å; I928-V936 HydrophobicContact CD1-CB 3.79Å; I928-V936 HydrophobicContact CD1-CG1 3.66Å; I928-V936 HydrophobicContact CD1-CG2 4.28Å; G933-V936 WeakPolarHBondContact O-CB 3.33Å; G933-V936 PolarHBondContact O-N 2.82Å; H934-V936 VanDerWaalsContact C-N 3.31Å; H934-V936 PolarHBondContact O-N 2.93Å; V936-L939 PolarHBondContact O-N 2.72Å; V936-N940 CarbonylContact O-C 3.56Å; V936-N940 WeakPolarHBondContact O-CA 3.39Å; V936-N940 PolarHBondContact O-N 3.31Å; V936-F943 HydrophobicContact CG1-CB 4.45Å; V936-F943 HydrophobicContact CG1-CD1 4.14Å; V936-F943 HydrophobicContact CG1-CG 4.24Å; V936-V1089 HydrophobicContact CG1-CG1 3.69Å; V936-V1089 HydrophobicContact CG2-CG1 4.04Å
937	M	95.2	Very high	94.4	Very high	79 Å²	79	63.7 Å²	63.7	39%	0.389	33%	0.332	S	S	.	.	H	α-helix	trans	-71.7	-30.7	179.2	-63	-57.1	-174.5	0	0	112.7	I928 G933 H934 L935 N940 P941	I928-M937 HydrophobicContact CD1-CE 3.91Å; I928-M937 HydrophobicContact CG1-CE 4.48Å; I928-M937 HydrophobicContact CG2-CE 4.13Å; G933-M937 PolarHBondContact O-N 2.87Å; H934-M937 PolarHBondContact O-N 2.87Å; H934-M937 VanDerWaalsContact O-N 3.12Å; L935-M937 VanDerWaalsContact C-N 3.3Å; L935-M937 PolarHBondContact O-N 3.18Å; M937-N940 CarbonylContact O-C 3.52Å; M937-P941 WeakPolarHBondContact O-CA 3.29Å; M937-P941 WeakPolarHBondContact O-CD 3.45Å; M937-P941 VanDerWaalsContact O-CG 3.27Å; M937-P941 WeakPolarHBondContact O-CG 3.44Å; M937-P941 VanDerWaalsContact O-N 3.14Å
938	E	95.4	Very high	94.3	Very high	102 Å²	102	67.9 Å²	67.9	48%	0.477	35%	0.35	S	S	.	.	H	α-helix	trans	-67.8	-42.6	170.9	-71.5	179	-155.7	0	0	112	K806 H934 L935	K806-E938 VanDerWaalsContact CE-OE2 3.3Å; K806-E938 WeakPolarHBondContact CE-OE2 3.11Å; K806-E938 IonicContact NZ-OE2 2.75Å; K806-E938 PolarHBondContact NZ-OE2 3.32Å; H934-E938 IonicContact CD2-OE1 3.81Å; H934-E938 PolarHBondContact O-N 3.5Å; L935-E938 PolarHBondContact O-N 3.03Å
939	L	96.3	Very high	94.2	Very high	12 Å²	12	71.1 Å²	71.1	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-75.4	-37.8	-179.9	-69.3	167.4	0	0	0	112.2	K806 I807 V810 L935 V936 T1090 R1092	K806-L939 HydrophobicContact CB-CD1 4.19Å; K806-L939 HydrophobicContact CB-CD2 4.49Å; I807-L939 HydrophobicContact CD1-CD2 4.39Å; I807-L939 HydrophobicContact CG1-CD1 3.71Å; I807-L939 HydrophobicContact CG1-CD2 3.96Å; V810-L939 HydrophobicContact CG2-CD1 4.22Å; L935-L939 WeakPolarHBondContact O-CB 3.47Å; L935-L939 VanDerWaalsContact O-CG 3.28Å; L935-L939 WeakPolarHBondContact O-CG 3.42Å; L935-L939 PolarHBondContact O-N 2.83Å; V936-L939 PolarHBondContact O-N 2.72Å; L939-T1090 HydrophobicContact CD1-CG2 3.87Å; L939-R1092 PolarHBondContact O-NH2 2.95Å
940	N	96.4	Very high	94.3	Very high	30 Å²	30	65 Å²	65	16%	0.16	34%	0.344	C	S	.	.			trans	-138.1	77.2	-177.2	-171.7	4	0	0	0	111.3	V936 M937 K942 F943 V1089 G1091	V936-N940 CarbonylContact O-C 3.56Å; V936-N940 WeakPolarHBondContact O-CA 3.39Å; V936-N940 PolarHBondContact O-N 3.31Å; M937-N940 CarbonylContact O-C 3.52Å; N940-K942 PolarHBondContact O-N 2.88Å; N940-F943 HydrophobicContact CB-CB 4.16Å; N940-F943 VanDerWaalsContact O-CB 3.28Å; N940-F943 WeakPolarHBondContact O-CB 3.3Å; N940-F943 PolarHBondContact O-N 2.71Å; N940-F943 PolarHBondContact OD1-N 3.08Å; N940-V1089 WeakPolarHBondContact CB-O 3.37Å; N940-V1089 PolarHBondContact ND2-O 3.48Å; N940-G1091 PolarHBondContact ND2-N 2.85Å
941	P	95.4	Very high	94.5	Very high	104 Å²	104	69.2 Å²	69.2	68%	0.675	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.9	-177.5	-23.3	31.2	0	0	0	115.1	M937	M937-P941 WeakPolarHBondContact O-CA 3.29Å; M937-P941 WeakPolarHBondContact O-CD 3.45Å; M937-P941 VanDerWaalsContact O-CG 3.27Å; M937-P941 WeakPolarHBondContact O-CG 3.44Å; M937-P941 VanDerWaalsContact O-N 3.14Å
942	K	92.7	Very high	94.9	Very high	187 Å²	187	69.8 Å²	69.8	81%	0.813	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-0.9	179.4	-62.6	-179	-176.8	175.7	0	112.8	N940 K944	N940-K942 PolarHBondContact O-N 2.88Å; K942-K944 PolarHBondContact O-N 3.27Å
943	F	94	Very high	95.2	Very high	15 Å²	15	69 Å²	69	7%	0.066	34%	0.341	C	S	.	.			trans	-58.9	135	-177.8	-175.6	-102.5	0	0	0	111.2	A924 I928 V936 N940 I945 W1088 V1089	A924-F943 HydrophobicContact CB-CZ 4.16Å; I928-F943 HydrophobicContact CD1-CD1 3.86Å; I928-F943 HydrophobicContact CD1-CE1 3.95Å; I928-F943 HydrophobicContact CG1-CD1 4.17Å; I928-F943 HydrophobicContact CG1-CE1 3.87Å; V936-F943 HydrophobicContact CG1-CB 4.45Å; V936-F943 HydrophobicContact CG1-CD1 4.14Å; V936-F943 HydrophobicContact CG1-CG 4.24Å; N940-F943 HydrophobicContact CB-CB 4.16Å; N940-F943 VanDerWaalsContact O-CB 3.28Å; N940-F943 WeakPolarHBondContact O-CB 3.3Å; N940-F943 PolarHBondContact O-N 2.71Å; N940-F943 PolarHBondContact OD1-N 3.08Å; F943-I945 HydrophobicContact CE1-CG1 4.38Å; F943-W1088 HydrophobicContact CE2-CD2 4.4Å; F943-W1088 AromaticContact CE2-CE2 3.9Å; F943-W1088 HydrophobicContact CE2-CH2 4Å; F943-W1088 AromaticContact CE2-CZ2 3.67Å; F943-W1088 HydrophobicContact CE2-CZ2 3.67Å; F943-W1088 HydrophobicContact CE2-CZ3 4.47Å; F943-W1088 HydrophobicContact CZ-CH2 4.02Å; F943-W1088 HydrophobicContact CZ-CZ2 4.09Å; F943-V1089 HydrophobicContact CE2-CB 4.31Å; F943-V1089 HydrophobicContact CE2-CG1 4.39Å; F943-V1089 HydrophobicContact CE2-CG2 4.17Å; F943-V1089 HydrophobicContact CZ-CG1 4.41Å; F943-V1089 HydrophobicContact CZ-CG2 4.28Å
944	K	92.5	Very high	95.4	Very high	175 Å²	175	69.6 Å²	69.6	76%	0.761	35%	0.345	S	S	*	.			trans	-133	137.6	173.9	-66.8	-177.4	-177.8	179.6	0	108.8	K942	K942-K944 PolarHBondContact O-N 3.27Å
945	I	94.3	Very high	95.5	Very high	78 Å²	78	65 Å²	65	40%	0.4	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-63.4	127.4	170.9	-59.4	170.8	0	0	0	107.3	A924 K925 I928 F943	A924-I945 HydrophobicContact CB-CG2 4.43Å; K925-I945 HydrophobicContact CB-CD1 4.17Å; K925-I945 HydrophobicContact CG-CD1 4.46Å; I928-I945 HydrophobicContact CG1-CG1 4.44Å; F943-I945 HydrophobicContact CE1-CG1 4.38Å
946	P	93.4	Very high	95.6	Very high	17 Å²	17	67.4 Å²	67.4	11%	0.11	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.5	146.6	-179.6	28.1	-34.7	0	0	0	111.3	V920 C921 F950 P996 M1028 W1088	V920-P946 HydrophobicContact CG1-CG 4.02Å; C921-P946 PolarHBondContact SG-O 3.2Å; P946-F950 HydrophobicContact CB-CE1 3.69Å; P946-F950 HydrophobicContact CB-CZ 3.9Å; P946-F950 HydrophobicContact CG-CE1 4.04Å; P946-F950 HydrophobicContact CG-CZ 3.79Å; P946-P996 HydrophobicContact CB-CG 3.66Å; P946-M1028 HydrophobicContact CG-CE 4.45Å; P946-W1088 HydrophobicContact CG-CH2 4Å; P946-W1088 HydrophobicContact CG-CZ2 4.24Å
947	S	91.3	Very high	95.6	Very high	97 Å²	97	71.5 Å²	71.5	68%	0.678	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-93.2	139.4	178.5	53.2	0	0	0	0	111.9	F950	S947-F950 WeakPolarHBondContact O-CD1 3.48Å
948	K	94.5	Very high	95.7	Very high	92 Å²	92	67.8 Å²	67.8	40%	0.4	34%	0.343	S	S	.	.	S	Bend	trans	-83.5	154.5	171.8	-58.9	179.5	179.3	-172.3	0	111.2	E917 D918	E917-K948 HydrophobicContact CB-CG 4.45Å; E917-K948 HydrophobicContact CG-CD 4.32Å; E917-K948 WeakPolarHBondContact O-CE 3.12Å; E917-K948 WeakPolarHBondContact OE1-CD 3.48Å; D918-K948 VanDerWaalsContact CA-NZ 3.33Å; D918-K948 IonicContact OD1-NZ 2.64Å; D918-K948 PolarHBondContact OD1-NZ 3.35Å
949	P	96.1	Very high	95.8	Very high	107 Å²	107	63.5 Å²	63.5	70%	0.695	32%	0.323	S	S	*	.	S	Bend	cis	-74	151.8	-11	32.4	-34.8	0	0	0	111.1
950	F	97.7	Very high	95.9	Very high	8 Å²	8	68.6 Å²	68.6	4%	0.035	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-72.7	153.8	172.2	-66.4	-5.4	0	0	0	110.8	E917 V920 P946 S947 R952 P996 F998 L1026	E917-F950 HydrophobicContact CB-CD2 4.03Å; E917-F950 HydrophobicContact CB-CE2 4.1Å; E917-F950 HydrophobicContact CB-CG 4.25Å; E917-F950 HydrophobicContact CB-CZ 4.37Å; V920-F950 HydrophobicContact CB-CE2 4.09Å; V920-F950 HydrophobicContact CB-CZ 4.14Å; V920-F950 HydrophobicContact CG1-CE2 4.02Å; V920-F950 HydrophobicContact CG1-CZ 3.88Å; V920-F950 HydrophobicContact CG2-CE2 4.42Å; P946-F950 HydrophobicContact CB-CE1 3.69Å; P946-F950 HydrophobicContact CB-CZ 3.9Å; P946-F950 HydrophobicContact CG-CE1 4.04Å; P946-F950 HydrophobicContact CG-CZ 3.79Å; S947-F950 WeakPolarHBondContact O-CD1 3.48Å; F950-R952 PolarHBondContact O-N 2.86Å; F950-P996 HydrophobicContact CB-CB 4.24Å; F950-P996 HydrophobicContact CD1-CB 3.93Å; F950-P996 HydrophobicContact CD1-CG 4.23Å; F950-P996 HydrophobicContact CD2-CB 3.72Å; F950-P996 HydrophobicContact CE1-CB 4.21Å; F950-P996 HydrophobicContact CE1-CG 4.17Å; F950-P996 HydrophobicContact CE2-CB 3.99Å; F950-P996 HydrophobicContact CG-CB 3.7Å; F950-P996 HydrophobicContact CG-CG 4.48Å; F950-P996 HydrophobicContact CZ-CB 4.23Å; F950-P996 HydrophobicContact CZ-CG 4.33Å; F950-F998 HydrophobicContact CB-CD2 3.89Å; F950-F998 HydrophobicContact CB-CE2 3.76Å; F950-F998 HydrophobicContact CB-CZ 4.34Å; F950-F998 HydrophobicContact CD2-CE1 4.11Å; F950-F998 AromaticContact CD2-CE2 3.92Å; F950-F998 HydrophobicContact CD2-CE2 3.92Å; F950-F998 AromaticContact CD2-CZ 3.63Å; F950-F998 HydrophobicContact CD2-CZ 3.63Å; F950-F998 HydrophobicContact CE2-CZ 4.39Å; F950-F998 HydrophobicContact CG-CE2 4.21Å; F950-F998 HydrophobicContact CG-CZ 4.37Å; F950-L1026 HydrophobicContact CD2-CD1 3.75Å; F950-L1026 HydrophobicContact CE2-CD1 4.05Å; F950-L1026 HydrophobicContact CE2-CD2 4.29Å
951	R	97.6	Very high	96	Very high	115 Å²	115	68.8 Å²	68.8	43%	0.434	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	133	176.5	175.2	-179.9	-67.4	-117.8	0.5	109	E995 P996 I997 F998	R951-E995 HydrophobicContact CB-CG 4.33Å; R951-E995 IonicContact CZ-OE1 3.74Å; R951-E995 IonicContact NE-OE1 3.56Å; R951-E995 PolarHBondContact NE-OE1 2.86Å; R951-E995 IonicContact NH2-OE1 3.68Å; R951-E995 PolarHBondContact NH2-OE1 2.54Å; R951-P996 PolarHBondContact N-O 3.07Å; R951-P996 VanDerWaalsContact N-O 3.15Å; R951-I997 HydrophobicContact CB-CG1 4.5Å; R951-I997 HydrophobicContact CG-CG2 4.45Å; R951-I997 CarbonylContact O-C 3.48Å; R951-I997 WeakPolarHBondContact O-CA 3.27Å; R951-F998 PolarHBondContact O-N 3Å
952	R	97.7	Very high	96.1	Very high	108 Å²	108	63.9 Å²	63.9	41%	0.408	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.5	168.9	-61.8	-179.2	-178.3	-169.8	-2.8	109	D910 F950 F998	D910-R952 IonicContact OD1-CZ 3.56Å; D910-R952 IonicContact OD1-NH1 3.96Å; D910-R952 PolarHBondContact OD1-NH1 2.89Å; D910-R952 IonicContact OD1-NH2 2.7Å; D910-R952 PolarHBondContact OD1-NH2 3.39Å; F950-R952 PolarHBondContact O-N 2.86Å; R952-F998 HydrophobicContact CG-CD2 4.41Å
953	M	97.8	Very high	96.3	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.059	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.9	179.6	-175.2	178.6	-67.6	0	0	108.5	D957 A958 M989 I993 I997 F998 L999 H1000	M953-D957 HydrophobicContact CG-CB 3.93Å; M953-A958 HydrophobicContact CG-CB 4.4Å; M953-A958 HydrophobicContact SD-CB 3.86Å; M953-M989 HydrophobicContact SD-CE 4.37Å; M953-M989 HydrophobicContact SD-SD 3.86Å; M953-I993 HydrophobicContact CE-CD1 3.62Å; M953-I997 HydrophobicContact CB-CG2 3.7Å; M953-I997 HydrophobicContact CE-CD1 4.47Å; M953-F998 PolarHBondContact N-O 2.88Å; M953-L999 HydrophobicContact CG-CD1 4.37Å; M953-L999 CarbonylContact O-C 3.42Å; M953-L999 WeakPolarHBondContact O-CA 3.39Å; M953-H1000 PolarHBondContact O-CD2 2.83Å; M953-H1000 PolarHBondContact O-N 2.9Å
954	A	97.4	Very high	96.5	Very high	15 Å²	15	62.8 Å²	62.8	12%	0.124	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	151.1	173.1	0	0	0	0	0	109.9	T956 D957 A958 H1000	A954-T956 PolarHBondContact O-N 2.97Å; A954-T956 VanDerWaalsContact O-N 3.16Å; A954-D957 WeakPolarHBondContact CB-OD2 3.21Å; A954-D957 PolarHBondContact N-OD2 3.44Å; A954-D957 WeakPolarHBondContact O-CA 3.46Å; A954-D957 WeakPolarHBondContact O-CB 3.33Å; A954-D957 PolarHBondContact O-N 3.22Å; A954-A958 PolarHBondContact O-N 3.43Å; A954-H1000 CarbonylContact C-O 3.56Å; A954-H1000 WeakPolarHBondContact CA-O 3.14Å
955	Y	97.8	Very high	96.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-48.7	-42.6	172.9	163.4	-93.4	0	0	0	112.2	D957 A958 I959 Q976 F977 G978 D979 I981 H1000 F1002 P1003 L1006	Y955-D957 VanDerWaalsContact C-N 3.26Å; Y955-D957 PolarHBondContact O-N 3Å; Y955-A958 WeakPolarHBondContact O-CB 3.35Å; Y955-A958 PolarHBondContact O-N 3.19Å; Y955-A958 VanDerWaalsContact O-N 3.14Å; Y955-I959 HydrophobicContact CD1-CG1 4.38Å; Y955-I959 HydrophobicContact CD2-CG1 4.4Å; Y955-I959 HydrophobicContact CE1-CD1 4.5Å; Y955-I959 HydrophobicContact CE1-CG1 3.86Å; Y955-I959 HydrophobicContact CE2-CD1 3.89Å; Y955-I959 HydrophobicContact CE2-CG1 3.89Å; Y955-I959 WeakPolarHBondContact O-CG1 3.29Å; Y955-I959 PolarHBondContact O-N 3.34Å; Y955-Q976 PolarHBondContact OH-O 3.37Å; Y955-F977 HydrophobicContact CD1-CD2 4.42Å; Y955-F977 HydrophobicContact CD1-CE2 4.41Å; Y955-F977 AromaticContact CE1-CD2 3.9Å; Y955-F977 HydrophobicContact CE1-CD2 3.9Å; Y955-F977 HydrophobicContact CE1-CE2 4.18Å; Y955-G978 PolarHBondContact OH-N 2.83Å; Y955-D979 WeakPolarHBondContact CE2-O 3.41Å; Y955-D979 PolarHBondContact OH-N 3Å; Y955-D979 PolarHBondContact OH-O 3.46Å; Y955-I981 HydrophobicContact CD2-CD1 4.11Å; Y955-I981 HydrophobicContact CE2-CD1 4.11Å; Y955-I981 HydrophobicContact CE2-CG1 4.25Å; Y955-H1000 PolarHBondContact N-O 3.44Å; Y955-F1002 AromaticContact CD2-CD1 3.79Å; Y955-F1002 HydrophobicContact CD2-CD1 3.79Å; Y955-F1002 HydrophobicContact CD2-CE1 4.21Å; Y955-F1002 HydrophobicContact CG-CD1 4.32Å; Y955-P1003 VanDerWaalsContact CD1-CD 3.5Å; Y955-P1003 HydrophobicContact CD1-CG 3.74Å; Y955-P1003 HydrophobicContact CE1-CG 3.38Å; Y955-P1003 HydrophobicContact CE2-CG 4.4Å; Y955-P1003 HydrophobicContact CG-CG 4.38Å; Y955-L1006 HydrophobicContact CE2-CD1 4.45Å
956	T	96.8	Very high	96.7	Very high	61 Å²	61	58 Å²	58	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-34.2	177.6	49.7	0	0	0	0	112.9	A954 K960 F977	A954-T956 PolarHBondContact O-N 2.97Å; A954-T956 VanDerWaalsContact O-N 3.16Å; T956-K960 PolarHBondContact O-N 3.01Å; T956-F977 HydrophobicContact CG2-CD2 4.02Å; T956-F977 HydrophobicContact CG2-CE2 4.04Å
957	D	97.7	Very high	96.8	Very high	86 Å²	86	58.1 Å²	58.1	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-76	-32.5	177	-59.9	-39.8	0	0	0	111.4	M953 A954 Y955 K960 W961	M953-D957 HydrophobicContact CG-CB 3.93Å; A954-D957 WeakPolarHBondContact CB-OD2 3.21Å; A954-D957 PolarHBondContact N-OD2 3.44Å; A954-D957 WeakPolarHBondContact O-CA 3.46Å; A954-D957 WeakPolarHBondContact O-CB 3.33Å; A954-D957 PolarHBondContact O-N 3.22Å; Y955-D957 VanDerWaalsContact C-N 3.26Å; Y955-D957 PolarHBondContact O-N 3Å; D957-K960 PolarHBondContact O-N 3.05Å; D957-W961 WeakPolarHBondContact O-CB 3.38Å; D957-W961 PolarHBondContact O-N 3.31Å
958	A	97.9	Very high	96.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-44.2	173.5	0	0	0	0	0	112	M953 A954 Y955 K960 W961 L962 I981 M989 L999	M953-A958 HydrophobicContact CG-CB 4.4Å; M953-A958 HydrophobicContact SD-CB 3.86Å; A954-A958 PolarHBondContact O-N 3.43Å; Y955-A958 WeakPolarHBondContact O-CB 3.35Å; Y955-A958 PolarHBondContact O-N 3.19Å; Y955-A958 VanDerWaalsContact O-N 3.14Å; A958-K960 VanDerWaalsContact C-N 3.29Å; A958-K960 PolarHBondContact O-N 3.16Å; A958-W961 WeakPolarHBondContact O-CB 3.32Å; A958-W961 PolarHBondContact O-N 3.41Å; A958-W961 VanDerWaalsContact O-N 3.15Å; A958-L962 VanDerWaalsContact O-CG 3.31Å; A958-L962 WeakPolarHBondContact O-CG 3.49Å; A958-L962 PolarHBondContact O-N 3.39Å; A958-I981 HydrophobicContact CB-CD1 3.88Å; A958-M989 HydrophobicContact CB-CE 4.08Å; A958-M989 HydrophobicContact CB-SD 3.84Å; A958-L999 HydrophobicContact CB-CD1 3.52Å
959	I	97.5	Very high	96.8	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-45.2	173.4	-64.5	-70	0	0	0	110.6	Y955 W961 L962 N963 F975 I981	Y955-I959 HydrophobicContact CD1-CG1 4.38Å; Y955-I959 HydrophobicContact CD2-CG1 4.4Å; Y955-I959 HydrophobicContact CE1-CD1 4.5Å; Y955-I959 HydrophobicContact CE1-CG1 3.86Å; Y955-I959 HydrophobicContact CE2-CD1 3.89Å; Y955-I959 HydrophobicContact CE2-CG1 3.89Å; Y955-I959 WeakPolarHBondContact O-CG1 3.29Å; Y955-I959 PolarHBondContact O-N 3.34Å; I959-W961 PolarHBondContact O-N 3.05Å; I959-L962 PolarHBondContact O-N 3.19Å; I959-N963 PolarHBondContact O-N 3.25Å; I959-N963 VanDerWaalsContact O-N 3.13Å; I959-N963 PolarHBondContact O-ND2 3.26Å; I959-F975 HydrophobicContact CD1-CB 3.78Å; I959-F975 HydrophobicContact CD1-CD1 4.38Å; I959-F975 HydrophobicContact CD1-CG 4.44Å; I959-F975 HydrophobicContact CG2-CB 4.11Å; I959-F975 WeakPolarHBondContact CG2-O 3.29Å; I959-I981 HydrophobicContact CD1-CD1 3.98Å; I959-I981 HydrophobicContact CD1-CG1 3.96Å; I959-I981 HydrophobicContact CG1-CD1 4.41Å
960	K	97.6	Very high	96.4	Very high	119 Å²	119	60.5 Å²	60.5	52%	0.517	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-46.6	175.2	-179.2	179.9	171.4	-176	0	111.4	T956 D957 A958 L962 N963 E964	T956-K960 PolarHBondContact O-N 3.01Å; D957-K960 PolarHBondContact O-N 3.05Å; A958-K960 VanDerWaalsContact C-N 3.29Å; A958-K960 PolarHBondContact O-N 3.16Å; K960-L962 PolarHBondContact O-N 2.88Å; K960-N963 PolarHBondContact O-N 2.87Å; K960-E964 WeakPolarHBondContact CE-OE1 3.39Å; K960-E964 HydrophobicContact CG-CG 4.37Å; K960-E964 IonicContact NZ-OE1 2.9Å; K960-E964 WeakPolarHBondContact O-CB 3.22Å; K960-E964 VanDerWaalsContact O-CG 3.3Å; K960-E964 WeakPolarHBondContact O-CG 3.2Å; K960-E964 PolarHBondContact O-N 2.89Å
961	W	98	Very high	96.1	Very high	34 Å²	34	64.8 Å²	64.8	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-46.9	178.3	-172.3	98.3	0	0	0	111.7	D957 A958 I959 N963 E964 H965 V967 M989 T992 I993	D957-W961 WeakPolarHBondContact O-CB 3.38Å; D957-W961 PolarHBondContact O-N 3.31Å; A958-W961 WeakPolarHBondContact O-CB 3.32Å; A958-W961 PolarHBondContact O-N 3.41Å; A958-W961 VanDerWaalsContact O-N 3.15Å; I959-W961 PolarHBondContact O-N 3.05Å; W961-N963 PolarHBondContact O-N 2.96Å; W961-E964 PolarHBondContact O-N 3.03Å; W961-H965 AromaticContact CD1-CE1 3.59Å; W961-H965 AromaticContact CD1-ND1 3.94Å; W961-H965 AromaticContact CD2-CE1 3.77Å; W961-H965 AromaticContact CD2-ND1 3.48Å; W961-H965 AromaticContact CE2-CD2 3.92Å; W961-H965 AromaticContact CE2-CE1 3.26Å; W961-H965 AromaticContact CE2-CG 3.83Å; W961-H965 AromaticContact CE2-ND1 3.4Å; W961-H965 AromaticContact CE2-NE2 3.59Å; W961-H965 HydrophobicContact CE3-CB 4.35Å; W961-H965 AromaticContact CE3-ND1 3.93Å; W961-H965 AromaticContact CG-CE1 3.95Å; W961-H965 AromaticContact CG-ND1 3.83Å; W961-H965 HydrophobicContact CH2-CB 4.08Å; W961-H965 AromaticContact CH2-CD2 3.81Å; W961-H965 AromaticContact CH2-CG 3.72Å; W961-H965 AromaticContact CZ2-CD2 3.5Å; W961-H965 AromaticContact CZ2-CE1 3.67Å; W961-H965 AromaticContact CZ2-CG 3.68Å; W961-H965 AromaticContact CZ2-ND1 3.76Å; W961-H965 AromaticContact CZ2-NE2 3.51Å; W961-H965 HydrophobicContact CZ3-CB 4Å; W961-H965 AromaticContact CZ3-CG 3.97Å; W961-H965 AromaticContact NE1-CE1 3.16Å; W961-H965 PolarHBondContact NE1-CE1 3.18Å; W961-H965 AromaticContact NE1-ND1 3.71Å; W961-H965 AromaticContact NE1-NE2 3.66Å; W961-H965 PolarHBondContact O-N 2.82Å; W961-H965 PolarHBondContact O-ND1 3.06Å; W961-V967 HydrophobicContact CZ3-CG2 4.39Å; W961-M989 HydrophobicContact CD2-CB 4.47Å; W961-M989 HydrophobicContact CD2-CG 3.78Å; W961-M989 HydrophobicContact CD2-SD 4.29Å; W961-M989 HydrophobicContact CE3-CB 3.74Å; W961-M989 HydrophobicContact CE3-CG 3.51Å; W961-M989 HydrophobicContact CE3-SD 4.06Å; W961-M989 HydrophobicContact CG-CG 4.46Å; W961-M989 HydrophobicContact CG-SD 4.5Å; W961-M989 HydrophobicContact CH2-CB 4.1Å; W961-M989 HydrophobicContact CH2-CG 4.27Å; W961-M989 HydrophobicContact CZ2-CG 4.44Å; W961-M989 VanDerWaalsContact CZ3-CA 3.49Å; W961-M989 HydrophobicContact CZ3-CB 3.55Å; W961-M989 HydrophobicContact CZ3-CG 3.8Å; W961-T992 HydrophobicContact CH2-CG2 4.04Å; W961-T992 HydrophobicContact CZ2-CG2 3.8Å; W961-I993 HydrophobicContact CZ2-CG1 4.21Å
962	L	97.8	Very high	95.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-48.6	179.5	-71	169.2	0	0	0	111.4	A958 I959 K960 H965 G966 V967 F975 I981 P985 M989	A958-L962 VanDerWaalsContact O-CG 3.31Å; A958-L962 WeakPolarHBondContact O-CG 3.49Å; A958-L962 PolarHBondContact O-N 3.39Å; I959-L962 PolarHBondContact O-N 3.19Å; K960-L962 PolarHBondContact O-N 2.88Å; L962-H965 CarbonylContact O-C 3.55Å; L962-H965 PolarHBondContact O-N 2.87Å; L962-G966 PolarHBondContact O-N 3.15Å; L962-V967 HydrophobicContact CB-CB 4.26Å; L962-V967 HydrophobicContact CD2-CB 3.9Å; L962-V967 HydrophobicContact CD2-CG1 3.86Å; L962-V967 HydrophobicContact CD2-CG2 4.19Å; L962-V967 WeakPolarHBondContact O-CB 3.49Å; L962-V967 PolarHBondContact O-N 3.37Å; L962-F975 HydrophobicContact CB-CD2 4.09Å; L962-F975 HydrophobicContact CD1-CD1 4.38Å; L962-F975 HydrophobicContact CD1-CD2 4.04Å; L962-F975 HydrophobicContact CD1-CE2 4.28Å; L962-F975 HydrophobicContact CD1-CG 4.1Å; L962-I981 HydrophobicContact CD1-CD1 3.96Å; L962-I981 HydrophobicContact CD1-CG1 4.02Å; L962-I981 HydrophobicContact CD1-CG2 3.88Å; L962-P985 HydrophobicContact CD2-CB 3.78Å; L962-M989 HydrophobicContact CD2-CB 4.43Å
963	N	97.1	Very high	95.6	Very high	51 Å²	51	62.9 Å²	62.9	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-39.8	179.5	-66.8	-21.6	0	0	0	112	I959 K960 W961 H965 G966 D974 F975	I959-N963 PolarHBondContact O-N 3.25Å; I959-N963 VanDerWaalsContact O-N 3.13Å; I959-N963 PolarHBondContact O-ND2 3.26Å; K960-N963 PolarHBondContact O-N 2.87Å; W961-N963 PolarHBondContact O-N 2.96Å; N963-H965 VanDerWaalsContact C-N 3.27Å; N963-H965 PolarHBondContact O-N 2.81Å; N963-G966 PolarHBondContact O-N 3.14Å; N963-D974 WeakPolarHBondContact OD1-CB 3.46Å; N963-D974 PolarHBondContact OD1-OD1 3.06Å; N963-F975 PolarHBondContact ND2-O 2.97Å; N963-F975 PolarHBondContact OD1-N 3.46Å
964	E	97.2	Very high	95.5	Very high	128 Å²	128	65.4 Å²	65.4	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-65.6	-27.3	176.3	-75.2	176.6	169.2	0	0	113.1	K960 W961	K960-E964 WeakPolarHBondContact CE-OE1 3.39Å; K960-E964 HydrophobicContact CG-CG 4.37Å; K960-E964 IonicContact NZ-OE1 2.9Å; K960-E964 WeakPolarHBondContact O-CB 3.22Å; K960-E964 VanDerWaalsContact O-CG 3.3Å; K960-E964 WeakPolarHBondContact O-CG 3.2Å; K960-E964 PolarHBondContact O-N 2.89Å; W961-E964 PolarHBondContact O-N 3.03Å
965	H	96.7	Very high	95.4	Very high	101 Å²	101	65 Å²	65	47%	0.468	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	8.7	177.1	-67.7	71.6	0	0	0	113.2	W961 L962 N963 V967	W961-H965 AromaticContact CD1-CE1 3.59Å; W961-H965 AromaticContact CD1-ND1 3.94Å; W961-H965 AromaticContact CD2-CE1 3.77Å; W961-H965 AromaticContact CD2-ND1 3.48Å; W961-H965 AromaticContact CE2-CD2 3.92Å; W961-H965 AromaticContact CE2-CE1 3.26Å; W961-H965 AromaticContact CE2-CG 3.83Å; W961-H965 AromaticContact CE2-ND1 3.4Å; W961-H965 AromaticContact CE2-NE2 3.59Å; W961-H965 HydrophobicContact CE3-CB 4.35Å; W961-H965 AromaticContact CE3-ND1 3.93Å; W961-H965 AromaticContact CG-CE1 3.95Å; W961-H965 AromaticContact CG-ND1 3.83Å; W961-H965 HydrophobicContact CH2-CB 4.08Å; W961-H965 AromaticContact CH2-CD2 3.81Å; W961-H965 AromaticContact CH2-CG 3.72Å; W961-H965 AromaticContact CZ2-CD2 3.5Å; W961-H965 AromaticContact CZ2-CE1 3.67Å; W961-H965 AromaticContact CZ2-CG 3.68Å; W961-H965 AromaticContact CZ2-ND1 3.76Å; W961-H965 AromaticContact CZ2-NE2 3.51Å; W961-H965 HydrophobicContact CZ3-CB 4Å; W961-H965 AromaticContact CZ3-CG 3.97Å; W961-H965 AromaticContact NE1-CE1 3.16Å; W961-H965 PolarHBondContact NE1-CE1 3.18Å; W961-H965 AromaticContact NE1-ND1 3.71Å; W961-H965 AromaticContact NE1-NE2 3.66Å; W961-H965 PolarHBondContact O-N 2.82Å; W961-H965 PolarHBondContact O-ND1 3.06Å; L962-H965 CarbonylContact O-C 3.55Å; L962-H965 PolarHBondContact O-N 2.87Å; N963-H965 VanDerWaalsContact C-N 3.27Å; N963-H965 PolarHBondContact O-N 2.81Å; H965-V967 HydrophobicContact CB-CG2 4.18Å; H965-V967 PolarHBondContact O-N 3.11Å
966	G	95.7	Very high	95.3	Very high	51 Å²	51	71 Å²	71	53%	0.526	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	20.9	178.2	0	0	0	0	0	114.1	L962 N963 K968	L962-G966 PolarHBondContact O-N 3.15Å; N963-G966 PolarHBondContact O-N 3.14Å; G966-K968 PolarHBondContact O-N 3.43Å
967	V	95.6	Very high	95.2	Very high	20 Å²	20	73.5 Å²	73.5	12%	0.121	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-79.7	117.2	176.3	-172.3	0	0	0	0	108.6	W961 L962 H965 F975 P985 L988	W961-V967 HydrophobicContact CZ3-CG2 4.39Å; L962-V967 HydrophobicContact CB-CB 4.26Å; L962-V967 HydrophobicContact CD2-CB 3.9Å; L962-V967 HydrophobicContact CD2-CG1 3.86Å; L962-V967 HydrophobicContact CD2-CG2 4.19Å; L962-V967 WeakPolarHBondContact O-CB 3.49Å; L962-V967 PolarHBondContact O-N 3.37Å; H965-V967 HydrophobicContact CB-CG2 4.18Å; H965-V967 PolarHBondContact O-N 3.11Å; V967-F975 HydrophobicContact CG1-CE2 4.29Å; V967-P985 HydrophobicContact CG1-CB 3.82Å; V967-L988 HydrophobicContact CG1-CD2 4.27Å; V967-L988 HydrophobicContact CG2-CD2 3.68Å
968	K	93.2	Very high	95	Very high	95 Å²	95	70.6 Å²	70.6	41%	0.413	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-103.3	159.5	-177.8	-58	-62.5	-173.4	177.8	0	111.3	G966 D974	G966-K968 PolarHBondContact O-N 3.43Å; K968-D974 IonicContact NZ-OD1 2.79Å; K968-D974 PolarHBondContact NZ-OD1 3.46Å; K968-D974 IonicContact NZ-OD2 2.59Å; K968-D974 PolarHBondContact NZ-OD2 3.4Å
969	K	93	Very high	94.8	Very high	45 Å²	45	72.4 Å²	72.4	20%	0.196	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-65.9	166.8	165.5	-70.1	-171.2	-62.5	-167.6	0	110.9	D971 G972 F973 D974 F975 D979	K969-D971 WeakPolarHBondContact CB-OD1 3.38Å; K969-D971 PolarHBondContact O-N 3.44Å; K969-G972 PolarHBondContact O-N 3.34Å; K969-F973 PolarHBondContact N-O 3.06Å; K969-D974 WeakPolarHBondContact CE-O 3.41Å; K969-F975 HydrophobicContact CB-CZ 4.48Å; K969-F975 HydrophobicContact CD-CD1 4.2Å; K969-F975 HydrophobicContact CD-CE1 4.33Å; K969-F975 HydrophobicContact CG-CD1 3.75Å; K969-F975 HydrophobicContact CG-CD2 4.08Å; K969-F975 HydrophobicContact CG-CE1 3.6Å; K969-F975 HydrophobicContact CG-CE2 3.93Å; K969-F975 HydrophobicContact CG-CG 3.99Å; K969-F975 HydrophobicContact CG-CZ 3.68Å; K969-D979 WeakPolarHBondContact CD-OD2 3.12Å; K969-D979 IonicContact NZ-OD1 3.36Å; K969-D979 IonicContact NZ-OD2 2.91Å; K969-D979 PolarHBondContact NZ-OD2 2.66Å
970	E	87.1	Confident	94.5	Very high	207 Å²	207	76.7 Å²	76.7	97%	0.967	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	176.6	-65.3	-172.4	170	0	0	112.8	G972	E970-G972 VanDerWaalsContact C-N 3.26Å; E970-G972 PolarHBondContact O-N 3.15Å
971	D	90.9	Very high	94.4	Very high	98 Å²	98	71.5 Å²	71.5	52%	0.524	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2	174.9	63.8	10.6	0	0	0	113.9	K969 F973	K969-D971 WeakPolarHBondContact CB-OD1 3.38Å; K969-D971 PolarHBondContact O-N 3.44Å; D971-F973 HydrophobicContact CB-CD2 4.14Å; D971-F973 PolarHBondContact OD1-N 3.21Å
972	G	91.5	Very high	94.1	Very high	48 Å²	48	72.5 Å²	72.5	50%	0.495	38%	0.384	S	S	.	.	S	Bend	trans	85.4	-3	178.6	0	0	0	0	0	115.5	K969 E970	K969-G972 PolarHBondContact O-N 3.34Å; E970-G972 VanDerWaalsContact C-N 3.26Å; E970-G972 PolarHBondContact O-N 3.15Å
973	F	93.8	Very high	93.7	Very high	135 Å²	135	74 Å²	74	59%	0.592	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-82.5	160.8	177.7	-67.8	-79.8	0	0	0	112.4	K969 D971	K969-F973 PolarHBondContact N-O 3.06Å; D971-F973 HydrophobicContact CB-CD2 4.14Å; D971-F973 PolarHBondContact OD1-N 3.21Å
974	D	95.3	Very high	93.3	Very high	65 Å²	65	75.1 Å²	75.1	35%	0.348	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-65.9	151.1	168.4	-75.1	-52.4	0	0	0	111.1	N963 K968 K969	N963-D974 WeakPolarHBondContact OD1-CB 3.46Å; N963-D974 PolarHBondContact OD1-OD1 3.06Å; K968-D974 IonicContact NZ-OD1 2.79Å; K968-D974 PolarHBondContact NZ-OD1 3.46Å; K968-D974 IonicContact NZ-OD2 2.59Å; K968-D974 PolarHBondContact NZ-OD2 3.4Å; K969-D974 WeakPolarHBondContact CE-O 3.41Å
975	F	95.9	Very high	93.2	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.026	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-70	136.2	172.6	-74.9	-91.1	0	0	0	110.1	I959 L962 N963 V967 K969 D979 P985	I959-F975 HydrophobicContact CD1-CB 3.78Å; I959-F975 HydrophobicContact CD1-CD1 4.38Å; I959-F975 HydrophobicContact CD1-CG 4.44Å; I959-F975 HydrophobicContact CG2-CB 4.11Å; I959-F975 WeakPolarHBondContact CG2-O 3.29Å; L962-F975 HydrophobicContact CB-CD2 4.09Å; L962-F975 HydrophobicContact CD1-CD1 4.38Å; L962-F975 HydrophobicContact CD1-CD2 4.04Å; L962-F975 HydrophobicContact CD1-CE2 4.28Å; L962-F975 HydrophobicContact CD1-CG 4.1Å; N963-F975 PolarHBondContact ND2-O 2.97Å; N963-F975 PolarHBondContact OD1-N 3.46Å; V967-F975 HydrophobicContact CG1-CE2 4.29Å; K969-F975 HydrophobicContact CB-CZ 4.48Å; K969-F975 HydrophobicContact CD-CD1 4.2Å; K969-F975 HydrophobicContact CD-CE1 4.33Å; K969-F975 HydrophobicContact CG-CD1 3.75Å; K969-F975 HydrophobicContact CG-CD2 4.08Å; K969-F975 HydrophobicContact CG-CE1 3.6Å; K969-F975 HydrophobicContact CG-CE2 3.93Å; K969-F975 HydrophobicContact CG-CG 3.99Å; K969-F975 HydrophobicContact CG-CZ 3.68Å; F975-D979 HydrophobicContact CD1-CB 4.26Å; F975-P985 HydrophobicContact CE2-CB 4.41Å; F975-P985 HydrophobicContact CZ-CB 4.09Å; F975-P985 HydrophobicContact CZ-CG 3.87Å
976	Q	95.2	Very high	93.1	Very high	129 Å²	129	65.4 Å²	65.4	60%	0.603	36%	0.363	S	S	*	.			trans	-116.7	162.4	179.4	-61.5	-173.6	-8.1	0	0	111.1	Y955 G978 D979	Y955-Q976 PolarHBondContact OH-O 3.37Å; Q976-G978 PolarHBondContact O-N 2.97Å; Q976-D979 PolarHBondContact N-OD2 2.96Å; Q976-D979 WeakPolarHBondContact O-CB 3.37Å; Q976-D979 PolarHBondContact O-N 3.09Å
977	F	94.5	Very high	93	Very high	112 Å²	112	64 Å²	64	49%	0.491	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	126.4	171.7	-179.4	-86.6	0	0	0	110.3	Y955 T956 P1003 L1020	Y955-F977 HydrophobicContact CD1-CD2 4.42Å; Y955-F977 HydrophobicContact CD1-CE2 4.41Å; Y955-F977 AromaticContact CE1-CD2 3.9Å; Y955-F977 HydrophobicContact CE1-CD2 3.9Å; Y955-F977 HydrophobicContact CE1-CE2 4.18Å; T956-F977 HydrophobicContact CG2-CD2 4.02Å; T956-F977 HydrophobicContact CG2-CE2 4.04Å; F977-P1003 HydrophobicContact CE1-CB 4.43Å; F977-P1003 HydrophobicContact CE1-CG 4.37Å; F977-P1003 HydrophobicContact CE2-CG 4.12Å; F977-P1003 HydrophobicContact CZ-CB 4.18Å; F977-P1003 HydrophobicContact CZ-CG 3.95Å; F977-L1020 HydrophobicContact CE2-CD2 3.89Å; F977-L1020 HydrophobicContact CZ-CD2 3.87Å
978	G	93	Very high	93	Very high	25 Å²	25	67.2 Å²	67.2	26%	0.258	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-7.1	-175.6	0	0	0	0	0	113.8	Y955 Q976 L1006	Y955-G978 PolarHBondContact OH-N 2.83Å; Q976-G978 PolarHBondContact O-N 2.97Å; G978-L1006 WeakPolarHBondContact O-CD2 3.23Å
979	D	93.7	Very high	93.2	Very high	39 Å²	39	62.7 Å²	62.7	21%	0.209	34%	0.338	C	S	.	.			trans	-75.4	138.4	167.7	-71	-24.9	0	0	0	110	Y955 K969 F975 Q976	Y955-D979 WeakPolarHBondContact CE2-O 3.41Å; Y955-D979 PolarHBondContact OH-N 3Å; Y955-D979 PolarHBondContact OH-O 3.46Å; K969-D979 WeakPolarHBondContact CD-OD2 3.12Å; K969-D979 IonicContact NZ-OD1 3.36Å; K969-D979 IonicContact NZ-OD2 2.91Å; K969-D979 PolarHBondContact NZ-OD2 2.66Å; F975-D979 HydrophobicContact CD1-CB 4.26Å; Q976-D979 PolarHBondContact N-OD2 2.96Å; Q976-D979 WeakPolarHBondContact O-CB 3.37Å; Q976-D979 PolarHBondContact O-N 3.09Å
980	D	92.8	Very high	93.3	Very high	103 Å²	103	60.5 Å²	60.5	55%	0.551	33%	0.329	S	S	*	.			trans	-66.7	154.7	166.6	-172.6	33.3	0	0	0	110.5	P982 L1006	D980-P982 WeakPolarHBondContact O-CD 3.41Å; D980-L1006 HydrophobicContact CB-CD2 4.48Å
981	I	94.3	Very high	93.7	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.046	30%	0.299	C	S	.	.			trans	-109.1	97.7	174.4	-58.7	174.3	0	0	0	107.8	Y955 A958 I959 L962 P985 E986	Y955-I981 HydrophobicContact CD2-CD1 4.11Å; Y955-I981 HydrophobicContact CE2-CD1 4.11Å; Y955-I981 HydrophobicContact CE2-CG1 4.25Å; A958-I981 HydrophobicContact CB-CD1 3.88Å; I959-I981 HydrophobicContact CD1-CD1 3.98Å; I959-I981 HydrophobicContact CD1-CG1 3.96Å; I959-I981 HydrophobicContact CG1-CD1 4.41Å; L962-I981 HydrophobicContact CD1-CD1 3.96Å; L962-I981 HydrophobicContact CD1-CG1 4.02Å; L962-I981 HydrophobicContact CD1-CG2 3.88Å; I981-P985 HydrophobicContact CG2-CB 4.29Å; I981-P985 HydrophobicContact CG2-CG 4.12Å; I981-E986 HydrophobicContact CG2-CB 4.17Å
982	P	91.4	Very high	94	Very high	56 Å²	56	52.9 Å²	52.9	36%	0.364	30%	0.298	S	S	.	.			trans	-63.8	171.4	-177.4	-23.9	33.5	0	0	0	114.2	D980 A984 P985 E986	D980-P982 WeakPolarHBondContact O-CD 3.41Å; P982-A984 VanDerWaalsContact C-N 3.34Å; P982-A984 PolarHBondContact O-N 3.46Å; P982-P985 HydrophobicContact CB-CG 4.23Å; P982-P985 HydrophobicContact CG-CG 4.43Å; P982-P985 WeakPolarHBondContact O-CD 3.27Å; P982-P985 WeakPolarHBondContact O-CG 3.44Å; P982-E986 VanDerWaalsContact O-CB 3.27Å; P982-E986 WeakPolarHBondContact O-CB 3.32Å; P982-E986 PolarHBondContact O-N 2.8Å
983	E	89.3	Confident	94.2	Very high	31 Å²	31	52.2 Å²	52.2	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-52.2	-45	-177.7	-179	175.7	173.2	0	0	113.9	R892 R987	R892-E983 VanDerWaalsContact CD-CD 3.44Å; R892-E983 IonicContact CZ-OE2 3.16Å; R892-E983 IonicContact NE-OE1 3.17Å; R892-E983 IonicContact NE-OE2 2.77Å; R892-E983 PolarHBondContact NE-OE2 3.45Å; E983-R987 HydrophobicContact CG-CG 4.25Å; E983-R987 VanDerWaalsContact O-CB 3.3Å; E983-R987 WeakPolarHBondContact O-CB 3.27Å; E983-R987 VanDerWaalsContact O-CG 3.24Å; E983-R987 WeakPolarHBondContact O-CG 3.2Å; E983-R987 PolarHBondContact O-N 3.44Å; E983-R987 IonicContact OE1-CZ 2.67Å; E983-R987 VanDerWaalsContact OE1-CZ 3.23Å; E983-R987 IonicContact OE1-NE 2.72Å; E983-R987 PolarHBondContact OE1-NE 2.96Å; E983-R987 IonicContact OE1-NH2 3.11Å; E983-R987 PolarHBondContact OE1-NH2 3.46Å
984	A	90.4	Very high	94.2	Very high	74 Å²	74	51.3 Å²	51.3	61%	0.612	28%	0.284	S	S	*	.	H	α-helix	trans	-64.9	-53.8	-175.6	0	0	0	0	0	113.3	P982 R987 L988	P982-A984 VanDerWaalsContact C-N 3.34Å; P982-A984 PolarHBondContact O-N 3.46Å; A984-R987 PolarHBondContact O-N 3.1Å; A984-L988 WeakPolarHBondContact O-CB 3.39Å; A984-L988 PolarHBondContact O-N 3.21Å
985	P	94.2	Very high	94.1	Very high	15 Å²	15	51.7 Å²	51.7	10%	0.097	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-36.6	175.1	23	-32.7	0	0	0	112.8	L962 V967 F975 I981 P982 L988 M989	L962-P985 HydrophobicContact CD2-CB 3.78Å; V967-P985 HydrophobicContact CG1-CB 3.82Å; F975-P985 HydrophobicContact CE2-CB 4.41Å; F975-P985 HydrophobicContact CZ-CB 4.09Å; F975-P985 HydrophobicContact CZ-CG 3.87Å; I981-P985 HydrophobicContact CG2-CB 4.29Å; I981-P985 HydrophobicContact CG2-CG 4.12Å; P982-P985 HydrophobicContact CB-CG 4.23Å; P982-P985 HydrophobicContact CG-CG 4.43Å; P982-P985 WeakPolarHBondContact O-CD 3.27Å; P982-P985 WeakPolarHBondContact O-CG 3.44Å; P985-L988 PolarHBondContact O-N 2.89Å; P985-M989 WeakPolarHBondContact O-CB 3.49Å; P985-M989 PolarHBondContact O-N 3.32Å
986	E	95.5	Very high	94.2	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-50.7	174.5	179.6	-168.8	93.4	0	0	111.6	R892 I981 P982 M989 T990 L1027 G1032 E1033	R892-E986 IonicContact CZ-OE1 3.95Å; R892-E986 IonicContact NH1-OE1 3.08Å; R892-E986 PolarHBondContact NH1-OE1 2.99Å; I981-E986 HydrophobicContact CG2-CB 4.17Å; P982-E986 VanDerWaalsContact O-CB 3.27Å; P982-E986 WeakPolarHBondContact O-CB 3.32Å; P982-E986 PolarHBondContact O-N 2.8Å; E986-M989 PolarHBondContact O-N 2.97Å; E986-T990 WeakPolarHBondContact O-CB 3.39Å; E986-T990 PolarHBondContact O-N 3.13Å; E986-T990 PolarHBondContact O-OG1 3.33Å; E986-L1027 HydrophobicContact CG-CD1 3.81Å; E986-L1027 HydrophobicContact CG-CD2 3.73Å; E986-L1027 HydrophobicContact CG-CG 4.35Å; E986-G1032 WeakPolarHBondContact OE1-CA 3.35Å; E986-E1033 PolarHBondContact OE1-N 3.11Å
987	R	92.8	Very high	94.3	Very high	23 Å²	23	46.1 Å²	46.1	9%	0.087	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-46.6	177.1	-76.8	175.2	175.7	-95.2	3.7	111.5	E983 A984 M989 T990 D991 N1030 V1031	E983-R987 HydrophobicContact CG-CG 4.25Å; E983-R987 VanDerWaalsContact O-CB 3.3Å; E983-R987 WeakPolarHBondContact O-CB 3.27Å; E983-R987 VanDerWaalsContact O-CG 3.24Å; E983-R987 WeakPolarHBondContact O-CG 3.2Å; E983-R987 PolarHBondContact O-N 3.44Å; E983-R987 IonicContact OE1-CZ 2.67Å; E983-R987 VanDerWaalsContact OE1-CZ 3.23Å; E983-R987 IonicContact OE1-NE 2.72Å; E983-R987 PolarHBondContact OE1-NE 2.96Å; E983-R987 IonicContact OE1-NH2 3.11Å; E983-R987 PolarHBondContact OE1-NH2 3.46Å; A984-R987 PolarHBondContact O-N 3.1Å; R987-M989 VanDerWaalsContact C-N 3.29Å; R987-M989 PolarHBondContact O-N 3.08Å; R987-T990 PolarHBondContact O-N 3.29Å; R987-D991 VanDerWaalsContact O-CB 3.25Å; R987-D991 WeakPolarHBondContact O-CB 3.35Å; R987-D991 PolarHBondContact O-N 3.5Å; R987-N1030 PolarHBondContact NH1-O 3.05Å; R987-V1031 PolarHBondContact NE-O 3.15Å; R987-V1031 PolarHBondContact NH1-O 3.46Å; R987-V1031 PolarHBondContact NH2-O 2.78Å; R987-V1031 VanDerWaalsContact NH2-O 3.13Å
988	L	94.8	Very high	94.5	Very high	86 Å²	86	40.8 Å²	40.8	45%	0.45	24%	0.236	S	C	.	.	H	α-helix	trans	-57.4	-45.4	179.3	177.9	62	0	0	0	111.2	V967 A984 P985 T992	V967-L988 HydrophobicContact CG1-CD2 4.27Å; V967-L988 HydrophobicContact CG2-CD2 3.68Å; A984-L988 WeakPolarHBondContact O-CB 3.39Å; A984-L988 PolarHBondContact O-N 3.21Å; P985-L988 PolarHBondContact O-N 2.89Å; L988-T992 VanDerWaalsContact O-CB 3.22Å; L988-T992 WeakPolarHBondContact O-CB 3.45Å; L988-T992 PolarHBondContact O-N 2.78Å; L988-T992 PolarHBondContact O-OG1 3.48Å
989	M	97.8	Very high	94.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-51.2	175.6	176.8	178.8	70.1	0	0	111.4	M953 A958 W961 L962 P985 E986 R987 D991 T992 I993 L1027	M953-M989 HydrophobicContact SD-CE 4.37Å; M953-M989 HydrophobicContact SD-SD 3.86Å; A958-M989 HydrophobicContact CB-CE 4.08Å; A958-M989 HydrophobicContact CB-SD 3.84Å; W961-M989 HydrophobicContact CD2-CB 4.47Å; W961-M989 HydrophobicContact CD2-CG 3.78Å; W961-M989 HydrophobicContact CD2-SD 4.29Å; W961-M989 HydrophobicContact CE3-CB 3.74Å; W961-M989 HydrophobicContact CE3-CG 3.51Å; W961-M989 HydrophobicContact CE3-SD 4.06Å; W961-M989 HydrophobicContact CG-CG 4.46Å; W961-M989 HydrophobicContact CG-SD 4.5Å; W961-M989 HydrophobicContact CH2-CB 4.1Å; W961-M989 HydrophobicContact CH2-CG 4.27Å; W961-M989 HydrophobicContact CZ2-CG 4.44Å; W961-M989 VanDerWaalsContact CZ3-CA 3.49Å; W961-M989 HydrophobicContact CZ3-CB 3.55Å; W961-M989 HydrophobicContact CZ3-CG 3.8Å; L962-M989 HydrophobicContact CD2-CB 4.43Å; P985-M989 WeakPolarHBondContact O-CB 3.49Å; P985-M989 PolarHBondContact O-N 3.32Å; E986-M989 PolarHBondContact O-N 2.97Å; R987-M989 VanDerWaalsContact C-N 3.29Å; R987-M989 PolarHBondContact O-N 3.08Å; M989-D991 PolarHBondContact O-N 3.43Å; M989-T992 PolarHBondContact O-N 2.87Å; M989-I993 HydrophobicContact CG-CD1 3.78Å; M989-I993 WeakPolarHBondContact O-CB 3.41Å; M989-I993 VanDerWaalsContact O-CG1 3.29Å; M989-I993 WeakPolarHBondContact O-CG1 3.48Å; M989-I993 PolarHBondContact O-N 3.32Å; M989-L1027 HydrophobicContact CE-CD1 3.82Å
990	T	96.2	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-40.9	-176.7	-50.4	0	0	0	0	112	E986 R987 N994 I997 L1027 M1028 P1029	E986-T990 WeakPolarHBondContact O-CB 3.39Å; E986-T990 PolarHBondContact O-N 3.13Å; E986-T990 PolarHBondContact O-OG1 3.33Å; R987-T990 PolarHBondContact O-N 3.29Å; T990-N994 WeakPolarHBondContact O-CA 3.2Å; T990-N994 PolarHBondContact O-N 2.76Å; T990-I997 HydrophobicContact CG2-CD1 4.5Å; T990-L1027 HydrophobicContact CG2-CB 3.85Å; T990-L1027 WeakPolarHBondContact OG1-CB 3.37Å; T990-M1028 VanDerWaalsContact CG2-C 3.49Å; T990-P1029 HydrophobicContact CG2-CG 4.34Å
991	D	94.5	Very high	95.2	Very high	63 Å²	63	34.5 Å²	34.5	34%	0.337	20%	0.196	S	C	.	.	H	α-helix	trans	-72.8	-33.6	179.5	-68.4	-16.1	0	0	0	111.9	R987 M989 N994 P1029 N1030	R987-D991 VanDerWaalsContact O-CB 3.25Å; R987-D991 WeakPolarHBondContact O-CB 3.35Å; R987-D991 PolarHBondContact O-N 3.5Å; M989-D991 PolarHBondContact O-N 3.43Å; D991-N994 WeakPolarHBondContact O-CB 3.49Å; D991-P1029 WeakPolarHBondContact OD1-CA 3.48Å; D991-N1030 PolarHBondContact OD1-N 2.97Å
992	T	96.6	Very high	95.4	Very high	81 Å²	81	34.7 Å²	34.7	50%	0.497	20%	0.196	S	C	.	.	H	α-helix	trans	-70.7	-41.6	175.9	-57.8	0	0	0	0	111.2	W961 L988 M989	W961-T992 HydrophobicContact CH2-CG2 4.04Å; W961-T992 HydrophobicContact CZ2-CG2 3.8Å; L988-T992 VanDerWaalsContact O-CB 3.22Å; L988-T992 WeakPolarHBondContact O-CB 3.45Å; L988-T992 PolarHBondContact O-N 2.78Å; L988-T992 PolarHBondContact O-OG1 3.48Å; M989-T992 PolarHBondContact O-N 2.87Å
993	I	96.1	Very high	95.6	Very high	35 Å²	35	32 Å²	32	18%	0.179	18%	0.179	C	C	.	.	H	α-helix	trans	-72.4	-35.1	175.5	-63.4	169.7	0	0	0	110.4	M953 W961 M989 E995 I997	M953-I993 HydrophobicContact CE-CD1 3.62Å; W961-I993 HydrophobicContact CZ2-CG1 4.21Å; M989-I993 HydrophobicContact CG-CD1 3.78Å; M989-I993 WeakPolarHBondContact O-CB 3.41Å; M989-I993 VanDerWaalsContact O-CG1 3.29Å; M989-I993 WeakPolarHBondContact O-CG1 3.48Å; M989-I993 PolarHBondContact O-N 3.32Å; I993-E995 HydrophobicContact CG2-CG 3.9Å; I993-E995 PolarHBondContact O-N 3.46Å; I993-I997 HydrophobicContact CB-CD1 4.16Å; I993-I997 HydrophobicContact CD1-CD1 3.57Å; I993-I997 HydrophobicContact CG1-CD1 4.46Å; I993-I997 HydrophobicContact CG2-CD1 4.14Å
994	N	93.6	Very high	95.8	Very high	116 Å²	116	31.2 Å²	31.2	62%	0.62	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	36.5	173.5	-163.9	33.4	0	0	0	115	T990 D991	T990-N994 WeakPolarHBondContact O-CA 3.2Å; T990-N994 PolarHBondContact O-N 2.76Å; D991-N994 WeakPolarHBondContact O-CB 3.49Å
995	E	94.4	Very high	95.8	Very high	72 Å²	72	33.5 Å²	33.5	34%	0.336	18%	0.184	S	C	.	.	S	Bend	trans	-145.2	162.2	170.9	77.9	-163.2	158.7	0	0	110.9	R951 I993 I997	R951-E995 HydrophobicContact CB-CG 4.33Å; R951-E995 IonicContact CZ-OE1 3.74Å; R951-E995 IonicContact NE-OE1 3.56Å; R951-E995 PolarHBondContact NE-OE1 2.86Å; R951-E995 IonicContact NH2-OE1 3.68Å; R951-E995 PolarHBondContact NH2-OE1 2.54Å; I993-E995 HydrophobicContact CG2-CG 3.9Å; I993-E995 PolarHBondContact O-N 3.46Å; E995-I997 WeakPolarHBondContact O-CG1 3.22Å; E995-I997 PolarHBondContact O-N 2.96Å
996	P	96.9	Very high	95.7	Very high	18 Å²	18	35.9 Å²	35.9	12%	0.117	20%	0.196	C	C	.	.			trans	-60.8	132.6	173.8	-25	35.8	0	0	0	113	P946 F950 R951 L1026 L1027 M1028	P946-P996 HydrophobicContact CB-CG 3.66Å; F950-P996 HydrophobicContact CB-CB 4.24Å; F950-P996 HydrophobicContact CD1-CB 3.93Å; F950-P996 HydrophobicContact CD1-CG 4.23Å; F950-P996 HydrophobicContact CD2-CB 3.72Å; F950-P996 HydrophobicContact CE1-CB 4.21Å; F950-P996 HydrophobicContact CE1-CG 4.17Å; F950-P996 HydrophobicContact CE2-CB 3.99Å; F950-P996 HydrophobicContact CG-CB 3.7Å; F950-P996 HydrophobicContact CG-CG 4.48Å; F950-P996 HydrophobicContact CZ-CB 4.23Å; F950-P996 HydrophobicContact CZ-CG 4.33Å; R951-P996 PolarHBondContact N-O 3.07Å; R951-P996 VanDerWaalsContact N-O 3.15Å; P996-L1026 HydrophobicContact CB-CD1 4.3Å; P996-L1027 WeakPolarHBondContact CA-O 3.47Å; P996-M1028 HydrophobicContact CB-CE 4.42Å; P996-M1028 HydrophobicContact CB-SD 3.63Å; P996-M1028 HydrophobicContact CG-CE 3.95Å; P996-M1028 HydrophobicContact CG-SD 3.81Å
997	I	98.3	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.7	-178.5	-49.6	176.5	0	0	0	109.9	R951 M953 T990 I993 E995 L999 L1027	R951-I997 HydrophobicContact CB-CG1 4.5Å; R951-I997 HydrophobicContact CG-CG2 4.45Å; R951-I997 CarbonylContact O-C 3.48Å; R951-I997 WeakPolarHBondContact O-CA 3.27Å; M953-I997 HydrophobicContact CB-CG2 3.7Å; M953-I997 HydrophobicContact CE-CD1 4.47Å; T990-I997 HydrophobicContact CG2-CD1 4.5Å; I993-I997 HydrophobicContact CB-CD1 4.16Å; I993-I997 HydrophobicContact CD1-CD1 3.57Å; I993-I997 HydrophobicContact CG1-CD1 4.46Å; I993-I997 HydrophobicContact CG2-CD1 4.14Å; E995-I997 WeakPolarHBondContact O-CG1 3.22Å; E995-I997 PolarHBondContact O-N 2.96Å; I997-L999 PolarHBondContact O-N 2.87Å; I997-L1027 HydrophobicContact CB-CB 4.28Å; I997-L1027 PolarHBondContact N-O 3.28Å; I997-L1027 PolarHBondContact O-N 3.25Å
998	F	98.4	Very high	95.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	96.2	158.3	-70	-44.8	0	0	0	109.1	L913 L916 E917 F950 R951 R952 M953 H1000 V1024 L1026	L913-F998 HydrophobicContact CB-CE2 4.42Å; L913-F998 HydrophobicContact CD2-CB 4.37Å; L913-F998 HydrophobicContact CD2-CD1 4.44Å; L913-F998 HydrophobicContact CD2-CD2 4.26Å; L913-F998 HydrophobicContact CD2-CG 4.13Å; L916-F998 HydrophobicContact CB-CE1 3.73Å; L916-F998 HydrophobicContact CB-CZ 3.75Å; L916-F998 HydrophobicContact CD1-CE1 4.24Å; E917-F998 HydrophobicContact CB-CE2 3.99Å; E917-F998 HydrophobicContact CB-CZ 3.86Å; F950-F998 HydrophobicContact CB-CD2 3.89Å; F950-F998 HydrophobicContact CB-CE2 3.76Å; F950-F998 HydrophobicContact CB-CZ 4.34Å; F950-F998 HydrophobicContact CD2-CE1 4.11Å; F950-F998 AromaticContact CD2-CE2 3.92Å; F950-F998 HydrophobicContact CD2-CE2 3.92Å; F950-F998 AromaticContact CD2-CZ 3.63Å; F950-F998 HydrophobicContact CD2-CZ 3.63Å; F950-F998 HydrophobicContact CE2-CZ 4.39Å; F950-F998 HydrophobicContact CG-CE2 4.21Å; F950-F998 HydrophobicContact CG-CZ 4.37Å; R951-F998 PolarHBondContact O-N 3Å; R952-F998 HydrophobicContact CG-CD2 4.41Å; M953-F998 PolarHBondContact N-O 2.88Å; F998-H1000 PolarHBondContact O-CD2 2.72Å; F998-V1024 HydrophobicContact CB-CG2 3.81Å; F998-V1024 HydrophobicContact CD1-CG2 3.66Å; F998-V1024 HydrophobicContact CG-CG2 4.02Å; F998-L1026 HydrophobicContact CD1-CB 4.18Å; F998-L1026 HydrophobicContact CD1-CD1 3.8Å; F998-L1026 HydrophobicContact CE1-CB 4.12Å; F998-L1026 HydrophobicContact CE1-CD1 3.68Å; F998-L1026 HydrophobicContact CE1-CD2 4.36Å; F998-L1026 HydrophobicContact CE1-CG 4.26Å
999	L	98.4	Very high	95.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.7	169.6	-176.2	60.9	0	0	0	107.9	M953 A958 I997 F1002 V1024 D1025 L1027	M953-L999 HydrophobicContact CG-CD1 4.37Å; M953-L999 CarbonylContact O-C 3.42Å; M953-L999 WeakPolarHBondContact O-CA 3.39Å; A958-L999 HydrophobicContact CB-CD1 3.52Å; I997-L999 PolarHBondContact O-N 2.87Å; L999-F1002 HydrophobicContact CB-CZ 4.14Å; L999-F1002 HydrophobicContact CD2-CE1 3.78Å; L999-F1002 HydrophobicContact CD2-CZ 3.6Å; L999-F1002 HydrophobicContact CG-CE1 4Å; L999-F1002 HydrophobicContact CG-CE2 4.27Å; L999-F1002 HydrophobicContact CG-CZ 3.52Å; L999-F1002 VanDerWaalsContact O-CE2 3.26Å; L999-F1002 WeakPolarHBondContact O-CE2 3.31Å; L999-V1024 CarbonylContact O-C 3.57Å; L999-V1024 WeakPolarHBondContact O-CA 3.23Å; L999-D1025 PolarHBondContact N-O 3.04Å; L999-D1025 PolarHBondContact O-N 3.34Å; L999-L1027 HydrophobicContact CB-CD1 3.92Å; L999-L1027 HydrophobicContact CB-CG 4.18Å; L999-L1027 HydrophobicContact CD2-CD1 4.01Å
1000	H	98	Very high	95.2	Very high	29 Å²	29	34.2 Å²	34.2	13%	0.134	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	173.3	-169.7	69.4	76.5	0	0	0	113.8	F909 M953 A954 Y955 F998 S1023 V1024	F909-H1000 HydrophobicContact CE1-CB 4.3Å; F909-H1000 HydrophobicContact CZ-CB 4Å; M953-H1000 PolarHBondContact O-CD2 2.83Å; M953-H1000 PolarHBondContact O-N 2.9Å; A954-H1000 CarbonylContact C-O 3.56Å; A954-H1000 WeakPolarHBondContact CA-O 3.14Å; Y955-H1000 PolarHBondContact N-O 3.44Å; F998-H1000 PolarHBondContact O-CD2 2.72Å; H1000-S1023 CarbonylContact C-O 3.52Å; H1000-S1023 VanDerWaalsContact CA-O 3.22Å; H1000-S1023 WeakPolarHBondContact CA-O 3.39Å; H1000-S1023 WeakPolarHBondContact CB-O 3.37Å; H1000-V1024 HydrophobicContact CB-CB 4.27Å; H1000-V1024 HydrophobicContact CB-CG2 4.41Å
1001	S	97.4	Very high	95.3	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	19%	0.191	C	C	.	.			trans	61.2	51.6	177.3	-54	0	0	0	0	113.8	R1014 L1020 T1021 S1023	S1001-R1014 WeakPolarHBondContact OG-CD 3.44Å; S1001-R1014 PolarHBondContact OG-NH1 2.9Å; S1001-R1014 VanDerWaalsContact OG-NH1 3.12Å; S1001-L1020 WeakPolarHBondContact O-CD2 3.45Å; S1001-T1021 WeakPolarHBondContact CA-O 3.3Å; S1001-S1023 PolarHBondContact N-O 3.35Å
1002	F	97.8	Very high	95.4	Very high	12 Å²	12	32.1 Å²	32.1	5%	0.053	18%	0.178	C	C	.	.			trans	-70.7	154.6	179.1	-67.4	-91.1	0	0	0	112.1	Y955 L999 A1004 K1007 L1020 T1021 S1023 D1025	Y955-F1002 AromaticContact CD2-CD1 3.79Å; Y955-F1002 HydrophobicContact CD2-CD1 3.79Å; Y955-F1002 HydrophobicContact CD2-CE1 4.21Å; Y955-F1002 HydrophobicContact CG-CD1 4.32Å; L999-F1002 HydrophobicContact CB-CZ 4.14Å; L999-F1002 HydrophobicContact CD2-CE1 3.78Å; L999-F1002 HydrophobicContact CD2-CZ 3.6Å; L999-F1002 HydrophobicContact CG-CE1 4Å; L999-F1002 HydrophobicContact CG-CE2 4.27Å; L999-F1002 HydrophobicContact CG-CZ 3.52Å; L999-F1002 VanDerWaalsContact O-CE2 3.26Å; L999-F1002 WeakPolarHBondContact O-CE2 3.31Å; F1002-A1004 PolarHBondContact O-N 2.96Å; F1002-K1007 HydrophobicContact CB-CD 4.12Å; F1002-K1007 HydrophobicContact CB-CG 3.64Å; F1002-K1007 HydrophobicContact CG-CD 4.24Å; F1002-K1007 HydrophobicContact CG-CG 4.3Å; F1002-L1020 CarbonylContact O-C 3.47Å; F1002-L1020 VanDerWaalsContact O-CA 3.32Å; F1002-L1020 WeakPolarHBondContact O-CA 3.23Å; F1002-T1021 PolarHBondContact O-N 3.14Å; F1002-T1021 PolarHBondContact O-OG1 3.31Å; F1002-S1023 WeakPolarHBondContact CD2-OG 3.28Å; F1002-D1025 HydrophobicContact CE2-CB 4.05Å; F1002-D1025 WeakPolarHBondContact CE2-OD2 3.38Å; F1002-D1025 HydrophobicContact CZ-CB 3.98Å; F1002-D1025 WeakPolarHBondContact CZ-OD2 3.36Å
1003	P	96.8	Very high	95.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-58.9	135	171.9	-24	34	0	0	0	112.4	Y955 F977 T1005 L1006	Y955-P1003 VanDerWaalsContact CD1-CD 3.5Å; Y955-P1003 HydrophobicContact CD1-CG 3.74Å; Y955-P1003 HydrophobicContact CE1-CG 3.38Å; Y955-P1003 HydrophobicContact CE2-CG 4.4Å; Y955-P1003 HydrophobicContact CG-CG 4.38Å; F977-P1003 HydrophobicContact CE1-CB 4.43Å; F977-P1003 HydrophobicContact CE1-CG 4.37Å; F977-P1003 HydrophobicContact CE2-CG 4.12Å; F977-P1003 HydrophobicContact CZ-CB 4.18Å; F977-P1003 HydrophobicContact CZ-CG 3.95Å; P1003-T1005 PolarHBondContact O-N 2.96Å; P1003-L1006 HydrophobicContact CB-CD1 4.3Å; P1003-L1006 HydrophobicContact CB-CG 4.36Å; P1003-L1006 HydrophobicContact CG-CD1 4.04Å; P1003-L1006 PolarHBondContact O-N 3.4Å
1004	A	93.3	Very high	95.4	Very high	13 Å²	13	30.4 Å²	30.4	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-26.5	177.4	0	0	0	0	0	115.3	F1002 R1013 L1019	F1002-A1004 PolarHBondContact O-N 2.96Å; A1004-R1013 VanDerWaalsContact CA-NH1 3.3Å; A1004-L1019 VanDerWaalsContact CB-O 3.28Å; A1004-L1019 WeakPolarHBondContact CB-O 3.34Å; A1004-L1019 PolarHBondContact N-O 3.43Å
1005	T	91.2	Very high	95.3	Very high	123 Å²	123	33.6 Å²	33.6	76%	0.755	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.6	-177.9	51.3	0	0	0	0	113.5	P1003	P1003-T1005 PolarHBondContact O-N 2.96Å
1006	L	90.7	Very high	95.2	Very high	65 Å²	65	35.9 Å²	35.9	34%	0.34	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-14.2	-178.7	-67.3	179.3	0	0	0	113.3	Y955 G978 D980 P1003	Y955-L1006 HydrophobicContact CE2-CD1 4.45Å; G978-L1006 WeakPolarHBondContact O-CD2 3.23Å; D980-L1006 HydrophobicContact CB-CD2 4.48Å; P1003-L1006 HydrophobicContact CB-CD1 4.3Å; P1003-L1006 HydrophobicContact CB-CG 4.36Å; P1003-L1006 HydrophobicContact CG-CD1 4.04Å; P1003-L1006 PolarHBondContact O-N 3.4Å
1007	K	92.1	Very high	95.1	Very high	41 Å²	41	37.9 Å²	37.9	18%	0.178	20%	0.195	C	C	.	.	S	Bend	trans	-116.6	162.3	-173.5	-62.2	-67	-100.2	-169.4	0	111.9	F1002 M1011 D1025	F1002-K1007 HydrophobicContact CB-CD 4.12Å; F1002-K1007 HydrophobicContact CB-CG 3.64Å; F1002-K1007 HydrophobicContact CG-CD 4.24Å; F1002-K1007 HydrophobicContact CG-CG 4.3Å; K1007-M1011 HydrophobicContact CB-CE 4.11Å; K1007-M1011 HydrophobicContact CB-SD 3.58Å; K1007-M1011 VanDerWaalsContact CB-SD 3.58Å; K1007-M1011 HydrophobicContact CD-CE 4.41Å; K1007-M1011 HydrophobicContact CD-SD 4.46Å; K1007-M1011 HydrophobicContact CG-SD 4.11Å; K1007-D1025 VanDerWaalsContact NZ-CG 3.3Å; K1007-D1025 IonicContact NZ-OD1 3.2Å; K1007-D1025 PolarHBondContact NZ-OD1 3.21Å; K1007-D1025 IonicContact NZ-OD2 3.34Å; K1007-D1025 PolarHBondContact NZ-OD2 3.11Å
1008	S	92.3	Very high	94.9	Very high	26 Å²	26	43.2 Å²	43.2	18%	0.182	22%	0.22	C	C	.	.			trans	-61.4	150.5	-172.8	-45.8	0	0	0	0	113.2	E841 Y1010 M1011	E841-S1008 PolarHBondContact OE2-OG 3.43Å; S1008-Y1010 VanDerWaalsContact CB-CZ 3.45Å; S1008-Y1010 PolarHBondContact O-N 2.81Å; S1008-Y1010 VanDerWaalsContact O-N 3.08Å; S1008-M1011 WeakPolarHBondContact O-CG 3.26Å; S1008-M1011 PolarHBondContact O-N 2.82Å
1009	F	92.3	Very high	94.7	Very high	9 Å²	9	48.6 Å²	48.6	4%	0.039	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.4	-170.9	75	-85.3	0	0	0	114.7	M1011 I1041 L1047 A1050 F1051 H1054 I1056	F1009-M1011 VanDerWaalsContact C-N 3.34Å; F1009-I1041 WeakPolarHBondContact O-CD1 3.39Å; F1009-L1047 HydrophobicContact CD2-CD1 4.47Å; F1009-L1047 HydrophobicContact CE2-CD1 4.2Å; F1009-A1050 HydrophobicContact CB-CB 4.45Å; F1009-A1050 HydrophobicContact CD2-CB 4.33Å; F1009-A1050 WeakPolarHBondContact O-CB 3.41Å; F1009-F1051 HydrophobicContact CD2-CE1 4.45Å; F1009-F1051 HydrophobicContact CE2-CD1 4.04Å; F1009-F1051 AromaticContact CE2-CE1 3.57Å; F1009-F1051 HydrophobicContact CE2-CE1 3.57Å; F1009-F1051 HydrophobicContact CE2-CE2 4.41Å; F1009-F1051 AromaticContact CE2-CZ 3.78Å; F1009-F1051 HydrophobicContact CE2-CZ 3.78Å; F1009-F1051 AromaticContact CZ-CE1 3.86Å; F1009-F1051 HydrophobicContact CZ-CE1 3.86Å; F1009-F1051 HydrophobicContact CZ-CZ 4.24Å; F1009-H1054 WeakPolarHBondContact CB-CE1 3.38Å; F1009-H1054 WeakPolarHBondContact CB-ND1 3.49Å; F1009-I1056 HydrophobicContact CD1-CD1 3.86Å; F1009-I1056 HydrophobicContact CE1-CD1 4Å; F1009-I1056 HydrophobicContact CG-CD1 4.34Å
1010	Y	95.2	Very high	94.6	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.031	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.6	-174.5	58.1	-110	0	0	0	113.9	V840 E841 Q863 S1008 I1041	V840-Y1010 HydrophobicContact CG1-CE1 4.12Å; E841-Y1010 PolarHBondContact OE1-OH 3.28Å; Q863-Y1010 VanDerWaalsContact NE2-CD2 3.32Å; S1008-Y1010 VanDerWaalsContact CB-CZ 3.45Å; S1008-Y1010 PolarHBondContact O-N 2.81Å; S1008-Y1010 VanDerWaalsContact O-N 3.08Å; Y1010-I1041 PolarHBondContact O-N 3.48Å
1011	M	97.2	Very high	94.6	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.049	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-78.8	131.5	-173.1	-58.4	-163.9	-175.9	0	0	112.5	K1007 S1008 F1009 T1021 S1038	K1007-M1011 HydrophobicContact CB-CE 4.11Å; K1007-M1011 HydrophobicContact CB-SD 3.58Å; K1007-M1011 VanDerWaalsContact CB-SD 3.58Å; K1007-M1011 HydrophobicContact CD-CE 4.41Å; K1007-M1011 HydrophobicContact CD-SD 4.46Å; K1007-M1011 HydrophobicContact CG-SD 4.11Å; S1008-M1011 WeakPolarHBondContact O-CG 3.26Å; S1008-M1011 PolarHBondContact O-N 2.82Å; F1009-M1011 VanDerWaalsContact C-N 3.34Å; M1011-T1021 HydrophobicContact CB-CG2 3.83Å; M1011-S1038 WeakPolarHBondContact CG-OG 3.43Å
1012	S	97.5	Very high	94.6	Very high	8 Å²	8	49.5 Å²	49.5	6%	0.056	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-59.5	146.2	175	-72.9	0	0	0	0	112.3	T1021 E1022 M1039 R1040 I1041	S1012-T1021 CarbonylContact O-C 3.57Å; S1012-T1021 VanDerWaalsContact O-CA 3.23Å; S1012-T1021 WeakPolarHBondContact O-CA 3.41Å; S1012-E1022 PolarHBondContact O-N 2.87Å; S1012-M1039 PolarHBondContact N-O 3.36Å; S1012-R1040 PolarHBondContact OG-O 2.95Å; S1012-I1041 PolarHBondContact OG-N 2.95Å
1013	R	96.5	Very high	94.6	Very high	28 Å²	28	48.9 Å²	48.9	11%	0.106	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-81.8	149.3	169.9	-54.8	-52.5	-172.7	-157.7	2.6	110.9	A1004 Q1018 L1020	A1004-R1013 VanDerWaalsContact CA-NH1 3.3Å; R1013-Q1018 VanDerWaalsContact CB-OE1 3.29Å; R1013-L1020 WeakPolarHBondContact CA-O 3.44Å
1014	R	95.3	Very high	94.7	Very high	53 Å²	53	48.9 Å²	48.9	20%	0.2	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-71.3	141	171.4	-63.4	-177.2	55	95.7	3.2	111	S1001 D1016 N1017 Q1018 L1020 E1022	S1001-R1014 WeakPolarHBondContact OG-CD 3.44Å; S1001-R1014 PolarHBondContact OG-NH1 2.9Å; S1001-R1014 VanDerWaalsContact OG-NH1 3.12Å; R1014-D1016 VanDerWaalsContact C-N 3.3Å; R1014-D1016 WeakPolarHBondContact CB-OD1 3.08Å; R1014-D1016 IonicContact CZ-OD1 3.56Å; R1014-D1016 IonicContact CZ-OD2 3.31Å; R1014-D1016 IonicContact NE-OD1 3.04Å; R1014-D1016 PolarHBondContact NE-OD1 2.83Å; R1014-D1016 IonicContact NE-OD2 2.87Å; R1014-D1016 IonicContact NH2-OD1 3.61Å; R1014-D1016 PolarHBondContact NH2-OD1 2.78Å; R1014-D1016 IonicContact NH2-OD2 3.85Å; R1014-D1016 PolarHBondContact NH2-OD2 3.45Å; R1014-D1016 PolarHBondContact O-N 2.81Å; R1014-N1017 CarbonylContact O-C 3.59Å; R1014-N1017 PolarHBondContact O-N 2.85Å; R1014-Q1018 PolarHBondContact O-NE2 3.19Å; R1014-L1020 HydrophobicContact CG-CB 4.28Å; R1014-L1020 PolarHBondContact N-O 3.03Å; R1014-E1022 HydrophobicContact CB-CG 4.45Å; R1014-E1022 HydrophobicContact CG-CG 3.86Å
1015	E	91.2	Very high	94.9	Very high	183 Å²	183	48.9 Å²	48.9	86%	0.855	25%	0.248	S	C	*	.	S	Bend	trans	-63.3	-35	178	-64.2	-171.3	161.7	0	0	112.8
1016	D	93.3	Very high	95.3	Very high	119 Å²	119	43 Å²	43	64%	0.636	21%	0.212	S	C	*	.	S	Bend	trans	-81.8	-27.7	-178.3	61.8	-11.7	0	0	0	114.1	R1014	R1014-D1016 VanDerWaalsContact C-N 3.3Å; R1014-D1016 WeakPolarHBondContact CB-OD1 3.08Å; R1014-D1016 IonicContact CZ-OD1 3.56Å; R1014-D1016 IonicContact CZ-OD2 3.31Å; R1014-D1016 IonicContact NE-OD1 3.04Å; R1014-D1016 PolarHBondContact NE-OD1 2.83Å; R1014-D1016 IonicContact NE-OD2 2.87Å; R1014-D1016 IonicContact NH2-OD1 3.61Å; R1014-D1016 PolarHBondContact NH2-OD1 2.78Å; R1014-D1016 IonicContact NH2-OD2 3.85Å; R1014-D1016 PolarHBondContact NH2-OD2 3.45Å; R1014-D1016 PolarHBondContact O-N 2.81Å
1017	N	94.2	Very high	95.6	Very high	60 Å²	60	40 Å²	40	32%	0.321	20%	0.196	S	C	.	.			trans	-148.6	103.3	177.2	-173.3	-7.3	0	0	0	111.7	R1014 L1019 L1020	R1014-N1017 CarbonylContact O-C 3.59Å; R1014-N1017 PolarHBondContact O-N 2.85Å; N1017-L1019 PolarHBondContact O-N 3.36Å; N1017-L1019 VanDerWaalsContact O-N 3.11Å; N1017-L1019 WeakPolarHBondContact OD1-CB 3.34Å; N1017-L1019 PolarHBondContact OD1-N 3.07Å; N1017-L1020 HydrophobicContact CB-CD1 4.22Å; N1017-L1020 HydrophobicContact CB-CG 4.31Å; N1017-L1020 PolarHBondContact O-N 3.3Å
1018	Q	93.4	Very high	95.7	Very high	113 Å²	113	38.1 Å²	38.1	53%	0.528	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.3	-177.7	-64.9	-68.3	-46.7	0	0	114.4	R1013 R1014 L1020	R1013-Q1018 VanDerWaalsContact CB-OE1 3.29Å; R1014-Q1018 PolarHBondContact O-NE2 3.19Å; Q1018-L1020 VanDerWaalsContact C-N 3.25Å
1019	L	94.2	Very high	95.7	Very high	112 Å²	112	37.4 Å²	37.4	59%	0.586	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13	171.7	-61.7	176.2	0	0	0	112.7	A1004 N1017	A1004-L1019 VanDerWaalsContact CB-O 3.28Å; A1004-L1019 WeakPolarHBondContact CB-O 3.34Å; A1004-L1019 PolarHBondContact N-O 3.43Å; N1017-L1019 PolarHBondContact O-N 3.36Å; N1017-L1019 VanDerWaalsContact O-N 3.11Å; N1017-L1019 WeakPolarHBondContact OD1-CB 3.34Å; N1017-L1019 PolarHBondContact OD1-N 3.07Å
1020	L	97	Very high	95.3	Very high	15 Å²	15	42.6 Å²	42.6	8%	0.079	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-113.7	150.7	-176.9	-55.3	-179.2	0	0	0	110.8	F977 S1001 F1002 R1013 R1014 N1017 Q1018	F977-L1020 HydrophobicContact CE2-CD2 3.89Å; F977-L1020 HydrophobicContact CZ-CD2 3.87Å; S1001-L1020 WeakPolarHBondContact O-CD2 3.45Å; F1002-L1020 CarbonylContact O-C 3.47Å; F1002-L1020 VanDerWaalsContact O-CA 3.32Å; F1002-L1020 WeakPolarHBondContact O-CA 3.23Å; R1013-L1020 WeakPolarHBondContact CA-O 3.44Å; R1014-L1020 HydrophobicContact CG-CB 4.28Å; R1014-L1020 PolarHBondContact N-O 3.03Å; N1017-L1020 HydrophobicContact CB-CD1 4.22Å; N1017-L1020 HydrophobicContact CB-CG 4.31Å; N1017-L1020 PolarHBondContact O-N 3.3Å; Q1018-L1020 VanDerWaalsContact C-N 3.25Å
1021	T	97.8	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-96.3	153.9	175.5	44.7	0	0	0	0	112.4	S1001 F1002 M1011 S1012 S1023	S1001-T1021 WeakPolarHBondContact CA-O 3.3Å; F1002-T1021 PolarHBondContact O-N 3.14Å; F1002-T1021 PolarHBondContact O-OG1 3.31Å; M1011-T1021 HydrophobicContact CB-CG2 3.83Å; S1012-T1021 CarbonylContact O-C 3.57Å; S1012-T1021 VanDerWaalsContact O-CA 3.23Å; S1012-T1021 WeakPolarHBondContact O-CA 3.41Å; T1021-S1023 PolarHBondContact O-N 2.86Å; T1021-S1023 PolarHBondContact OG1-OG 3.21Å
1022	E	98.2	Very high	95	Very high	40 Å²	40	41.9 Å²	41.9	19%	0.187	21%	0.208	C	C	.	.	S	Bend	trans	-79.5	61.5	165.4	-68.9	-170.3	137.2	0	0	110.2	F909 S1012 R1014 S1038 M1039	F909-E1022 HydrophobicContact CB-CB 4.48Å; F909-E1022 HydrophobicContact CD2-CB 4Å; F909-E1022 VanDerWaalsContact CE2-C 3.44Å; F909-E1022 HydrophobicContact CE2-CB 4.42Å; F909-E1022 WeakPolarHBondContact CE2-O 3.42Å; F909-E1022 HydrophobicContact CG-CB 4.16Å; S1012-E1022 PolarHBondContact O-N 2.87Å; R1014-E1022 HydrophobicContact CB-CG 4.45Å; R1014-E1022 HydrophobicContact CG-CG 3.86Å; E1022-S1038 CarbonylContact O-C 3.57Å; E1022-S1038 VanDerWaalsContact O-CA 3.23Å; E1022-S1038 WeakPolarHBondContact O-CA 3.43Å; E1022-S1038 WeakPolarHBondContact O-CB 3.46Å; E1022-M1039 HydrophobicContact CB-CB 3.78Å; E1022-M1039 HydrophobicContact CB-CG 3.86Å; E1022-M1039 PolarHBondContact O-N 3.33Å; E1022-M1039 VanDerWaalsContact OE2-CB 3.28Å; E1022-M1039 WeakPolarHBondContact OE2-CB 3.43Å; E1022-M1039 WeakPolarHBondContact OE2-CG 3.49Å
1023	S	98.2	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.5	-176.7	57.1	0	0	0	0	110.9	F909 H1000 S1001 F1002 T1021 G1037	F909-S1023 WeakPolarHBondContact CZ-O 3.29Å; H1000-S1023 CarbonylContact C-O 3.52Å; H1000-S1023 VanDerWaalsContact CA-O 3.22Å; H1000-S1023 WeakPolarHBondContact CA-O 3.39Å; H1000-S1023 WeakPolarHBondContact CB-O 3.37Å; S1001-S1023 PolarHBondContact N-O 3.35Å; F1002-S1023 WeakPolarHBondContact CD2-OG 3.28Å; T1021-S1023 PolarHBondContact O-N 2.86Å; T1021-S1023 PolarHBondContact OG1-OG 3.21Å; S1023-G1037 CarbonylContact C-O 3.49Å; S1023-G1037 WeakPolarHBondContact CA-O 3.38Å
1024	V	98.5	Very high	94.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	136.2	179.4	56	0	0	0	0	110.5	F909 L912 L913 L916 F998 L999 H1000 G1037	F909-V1024 HydrophobicContact CE2-CB 4.19Å; F909-V1024 HydrophobicContact CE2-CG1 4.14Å; F909-V1024 HydrophobicContact CZ-CB 4.09Å; L912-V1024 HydrophobicContact CD2-CG1 4.4Å; L913-V1024 HydrophobicContact CD2-CB 3.73Å; L913-V1024 HydrophobicContact CD2-CG1 3.84Å; L913-V1024 HydrophobicContact CD2-CG2 3.5Å; L916-V1024 HydrophobicContact CD1-CG1 3.5Å; L916-V1024 HydrophobicContact CD1-CG2 4.45Å; F998-V1024 HydrophobicContact CB-CG2 3.81Å; F998-V1024 HydrophobicContact CD1-CG2 3.66Å; F998-V1024 HydrophobicContact CG-CG2 4.02Å; L999-V1024 CarbonylContact O-C 3.57Å; L999-V1024 WeakPolarHBondContact O-CA 3.23Å; H1000-V1024 HydrophobicContact CB-CB 4.27Å; H1000-V1024 HydrophobicContact CB-CG2 4.41Å; V1024-G1037 PolarHBondContact N-O 3.47Å; V1024-G1037 PolarHBondContact O-N 2.94Å
1025	D	98	Very high	94.8	Very high	12 Å²	12	40 Å²	40	6%	0.064	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.7	168.4	-60.9	-11.8	0	0	0	107.6	L999 F1002 K1007 L1027 E1033 V1035	L999-D1025 PolarHBondContact N-O 3.04Å; L999-D1025 PolarHBondContact O-N 3.34Å; F1002-D1025 HydrophobicContact CE2-CB 4.05Å; F1002-D1025 WeakPolarHBondContact CE2-OD2 3.38Å; F1002-D1025 HydrophobicContact CZ-CB 3.98Å; F1002-D1025 WeakPolarHBondContact CZ-OD2 3.36Å; K1007-D1025 VanDerWaalsContact NZ-CG 3.3Å; K1007-D1025 IonicContact NZ-OD1 3.2Å; K1007-D1025 PolarHBondContact NZ-OD1 3.21Å; K1007-D1025 IonicContact NZ-OD2 3.34Å; K1007-D1025 PolarHBondContact NZ-OD2 3.11Å; D1025-L1027 HydrophobicContact CB-CD2 4.49Å; D1025-E1033 HydrophobicContact CB-CG 4.3Å; D1025-V1035 CarbonylContact C-O 3.56Å; D1025-V1035 WeakPolarHBondContact CA-O 3.08Å
1026	L	97.9	Very high	95.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.2	176.1	175.3	60.4	0	0	0	109.8	V920 F950 P996 F998 M1028 E1033 V1034 V1035	V920-L1026 HydrophobicContact CG2-CD2 3.41Å; V920-L1026 VanDerWaalsContact CG2-CD2 3.41Å; F950-L1026 HydrophobicContact CD2-CD1 3.75Å; F950-L1026 HydrophobicContact CE2-CD1 4.05Å; F950-L1026 HydrophobicContact CE2-CD2 4.29Å; P996-L1026 HydrophobicContact CB-CD1 4.3Å; F998-L1026 HydrophobicContact CD1-CB 4.18Å; F998-L1026 HydrophobicContact CD1-CD1 3.8Å; F998-L1026 HydrophobicContact CE1-CB 4.12Å; F998-L1026 HydrophobicContact CE1-CD1 3.68Å; F998-L1026 HydrophobicContact CE1-CD2 4.36Å; F998-L1026 HydrophobicContact CE1-CG 4.26Å; L1026-M1028 HydrophobicContact CD1-SD 4.05Å; L1026-M1028 HydrophobicContact CD2-SD 4.26Å; L1026-M1028 HydrophobicContact CG-CG 4.32Å; L1026-M1028 HydrophobicContact CG-SD 4.13Å; L1026-E1033 WeakPolarHBondContact O-CA 3.25Å; L1026-V1034 HydrophobicContact CB-CG2 4.35Å; L1026-V1034 HydrophobicContact CD2-CG2 4.02Å; L1026-V1034 HydrophobicContact CG-CG2 3.96Å; L1026-V1034 WeakPolarHBondContact O-CG2 3.5Å; L1026-V1034 PolarHBondContact O-N 3.02Å; L1026-V1035 HydrophobicContact CB-CB 3.91Å; L1026-V1035 HydrophobicContact CB-CG2 4.28Å; L1026-V1035 HydrophobicContact CD2-CG2 4.08Å; L1026-V1035 PolarHBondContact N-O 2.76Å
1027	L	97.4	Very high	95.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.6	177.6	-45.8	-177.2	0	0	0	110.2	E986 M989 T990 P996 I997 L999 D1025 G1032 E1033	E986-L1027 HydrophobicContact CG-CD1 3.81Å; E986-L1027 HydrophobicContact CG-CD2 3.73Å; E986-L1027 HydrophobicContact CG-CG 4.35Å; M989-L1027 HydrophobicContact CE-CD1 3.82Å; T990-L1027 HydrophobicContact CG2-CB 3.85Å; T990-L1027 WeakPolarHBondContact OG1-CB 3.37Å; P996-L1027 WeakPolarHBondContact CA-O 3.47Å; I997-L1027 HydrophobicContact CB-CB 4.28Å; I997-L1027 PolarHBondContact N-O 3.28Å; I997-L1027 PolarHBondContact O-N 3.25Å; L999-L1027 HydrophobicContact CB-CD1 3.92Å; L999-L1027 HydrophobicContact CB-CG 4.18Å; L999-L1027 HydrophobicContact CD2-CD1 4.01Å; D1025-L1027 HydrophobicContact CB-CD2 4.49Å; L1027-G1032 WeakPolarHBondContact CA-O 3.42Å; L1027-E1033 HydrophobicContact CD2-CB 3.91Å
1028	M	95.2	Very high	95.5	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.4	178.5	-62.8	-62.8	-75.4	0	0	111	V920 P946 T990 P996 L1026 N1030 V1031 G1032 V1034 W1088	V920-M1028 HydrophobicContact CG1-CE 4.34Å; P946-M1028 HydrophobicContact CG-CE 4.45Å; T990-M1028 VanDerWaalsContact CG2-C 3.49Å; P996-M1028 HydrophobicContact CB-CE 4.42Å; P996-M1028 HydrophobicContact CB-SD 3.63Å; P996-M1028 HydrophobicContact CG-CE 3.95Å; P996-M1028 HydrophobicContact CG-SD 3.81Å; L1026-M1028 HydrophobicContact CD1-SD 4.05Å; L1026-M1028 HydrophobicContact CD2-SD 4.26Å; L1026-M1028 HydrophobicContact CG-CG 4.32Å; L1026-M1028 HydrophobicContact CG-SD 4.13Å; M1028-N1030 PolarHBondContact O-N 3.29Å; M1028-V1031 PolarHBondContact O-N 2.76Å; M1028-G1032 PolarHBondContact N-O 3.1Å; M1028-G1032 PolarHBondContact O-N 3.05Å; M1028-V1034 HydrophobicContact CB-CG1 4.26Å; M1028-V1034 HydrophobicContact CB-CG2 4.27Å; M1028-V1034 HydrophobicContact CG-CB 4.42Å; M1028-V1034 HydrophobicContact CG-CG1 4.15Å; M1028-V1034 HydrophobicContact CG-CG2 3.36Å; M1028-W1088 HydrophobicContact CB-CG 4.29Å; M1028-W1088 HydrophobicContact CE-CD2 3.72Å; M1028-W1088 HydrophobicContact CE-CE3 4.07Å; M1028-W1088 HydrophobicContact CE-CG 4.49Å; M1028-W1088 HydrophobicContact CE-CH2 3.46Å; M1028-W1088 VanDerWaalsContact CE-CH2 3.46Å; M1028-W1088 HydrophobicContact CE-CZ2 3.04Å; M1028-W1088 HydrophobicContact CE-CZ3 3.94Å
1029	P	91.3	Very high	95.8	Very high	12 Å²	12	18.8 Å²	18.8	8%	0.078	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	142.5	174.3	-26.8	34.8	0	0	0	112.3	T990 D991 V1031	T990-P1029 HydrophobicContact CG2-CG 4.34Å; D991-P1029 WeakPolarHBondContact OD1-CA 3.48Å; P1029-V1031 PolarHBondContact O-N 3.5Å
1030	N	84.8	Confident	96	Very high	117 Å²	117	13.7 Å²	13.7	63%	0.626	8%	0.077	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	-10	-175.4	-46.1	-75.7	0	0	0	116.2	R987 D991 M1028	R987-N1030 PolarHBondContact NH1-O 3.05Å; D991-N1030 PolarHBondContact OD1-N 2.97Å; M1028-N1030 PolarHBondContact O-N 3.29Å
1031	V	91.4	Very high	96	Very high	3 Å²	3	13 Å²	13	2%	0.018	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-37.9	-179.3	-178.6	0	0	0	0	112.8	R987 M1028 P1029 V1034 R1084 T1087 W1088	R987-V1031 PolarHBondContact NE-O 3.15Å; R987-V1031 PolarHBondContact NH1-O 3.46Å; R987-V1031 PolarHBondContact NH2-O 2.78Å; R987-V1031 VanDerWaalsContact NH2-O 3.13Å; M1028-V1031 PolarHBondContact O-N 2.76Å; P1029-V1031 PolarHBondContact O-N 3.5Å; V1031-V1034 HydrophobicContact CB-CG1 4.15Å; V1031-V1034 HydrophobicContact CG1-CG1 3.7Å; V1031-R1084 HydrophobicContact CG1-CB 4.32Å; V1031-T1087 HydrophobicContact CG2-CG2 4.12Å; V1031-W1088 HydrophobicContact CG2-CB 3.67Å
1032	G	93.2	Very high	96	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.1	-141	-164.9	0	0	0	0	0	110.4	E986 L1027 M1028 V1034	E986-G1032 WeakPolarHBondContact OE1-CA 3.35Å; L1027-G1032 WeakPolarHBondContact CA-O 3.42Å; M1028-G1032 PolarHBondContact N-O 3.1Å; M1028-G1032 PolarHBondContact O-N 3.05Å; G1032-V1034 PolarHBondContact O-N 2.96Å
1033	E	95.4	Very high	95.9	Very high	45 Å²	45	20 Å²	20	21%	0.21	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	120.4	-178.7	-173.6	-151.4	175.1	0	0	113.6	E986 D1025 L1026 L1027 R1084	E986-E1033 PolarHBondContact OE1-N 3.11Å; D1025-E1033 HydrophobicContact CB-CG 4.3Å; L1026-E1033 WeakPolarHBondContact O-CA 3.25Å; L1027-E1033 HydrophobicContact CD2-CB 3.91Å; E1033-R1084 VanDerWaalsContact O-CD 3.3Å; E1033-R1084 WeakPolarHBondContact O-CD 3.43Å; E1033-R1084 PolarHBondContact O-NH1 2.88Å; E1033-R1084 VanDerWaalsContact O-NH1 3.1Å; E1033-R1084 IonicContact OE2-NH1 3.2Å; E1033-R1084 PolarHBondContact OE2-NH1 3.48Å
1034	V	95.1	Very high	95.7	Very high	2 Å²	2	24 Å²	24	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-21.1	173.9	-66.8	0	0	0	0	114	L1026 M1028 V1031 G1032 G1081 R1084	L1026-V1034 HydrophobicContact CB-CG2 4.35Å; L1026-V1034 HydrophobicContact CD2-CG2 4.02Å; L1026-V1034 HydrophobicContact CG-CG2 3.96Å; L1026-V1034 WeakPolarHBondContact O-CG2 3.5Å; L1026-V1034 PolarHBondContact O-N 3.02Å; M1028-V1034 HydrophobicContact CB-CG1 4.26Å; M1028-V1034 HydrophobicContact CB-CG2 4.27Å; M1028-V1034 HydrophobicContact CG-CB 4.42Å; M1028-V1034 HydrophobicContact CG-CG1 4.15Å; M1028-V1034 HydrophobicContact CG-CG2 3.36Å; V1031-V1034 HydrophobicContact CB-CG1 4.15Å; V1031-V1034 HydrophobicContact CG1-CG1 3.7Å; G1032-V1034 PolarHBondContact O-N 2.96Å; V1034-G1081 PolarHBondContact O-N 3.47Å; V1034-R1084 HydrophobicContact CG1-CB 4.27Å
1035	V	96.3	Very high	95.6	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137	177.2	-171.7	0	0	0	0	109.6	L916 D1025 L1026 Y1078 G1079 L1080	L916-V1035 HydrophobicContact CD2-CG1 3.61Å; D1025-V1035 CarbonylContact C-O 3.56Å; D1025-V1035 WeakPolarHBondContact CA-O 3.08Å; L1026-V1035 HydrophobicContact CB-CB 3.91Å; L1026-V1035 HydrophobicContact CB-CG2 4.28Å; L1026-V1035 HydrophobicContact CD2-CG2 4.08Å; L1026-V1035 PolarHBondContact N-O 2.76Å; V1035-Y1078 HydrophobicContact CG1-CD2 4.19Å; V1035-Y1078 HydrophobicContact CG1-CG 4.38Å; V1035-G1079 WeakPolarHBondContact CA-O 3.36Å; V1035-G1079 WeakPolarHBondContact CG1-O 3.36Å; V1035-L1080 HydrophobicContact CG1-CB 4.41Å; V1035-L1080 HydrophobicContact CG2-CB 3.87Å; V1035-L1080 HydrophobicContact CG2-CD1 3.61Å; V1035-L1080 HydrophobicContact CG2-CG 3.84Å
1036	G	96.5	Very high	95.5	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.8	166.3	0	0	0	0	0	110.4	Y1078 G1079	G1036-Y1078 CarbonylContact O-C 3.5Å; G1036-Y1078 VanDerWaalsContact O-CA 3.3Å; G1036-Y1078 WeakPolarHBondContact O-CA 3.08Å; G1036-G1079 PolarHBondContact N-O 3.17Å; G1036-G1079 PolarHBondContact O-N 2.61Å
1037	G	97.9	Very high	95.4	Very high	6 Å²	6	31.8 Å²	31.8	6%	0.062	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	163.2	-178.8	0	0	0	0	0	113.9	S1023 V1024 G1077	S1023-G1037 CarbonylContact C-O 3.49Å; S1023-G1037 WeakPolarHBondContact CA-O 3.38Å; V1024-G1037 PolarHBondContact N-O 3.47Å; V1024-G1037 PolarHBondContact O-N 2.94Å; G1037-G1077 VanDerWaalsContact CA-O 3.23Å; G1037-G1077 WeakPolarHBondContact CA-O 3.32Å
1038	S	98.6	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.2	175.4	87.1	0	0	0	0	112.6	M1011 E1022 R1040 G1076 G1077	M1011-S1038 WeakPolarHBondContact CG-OG 3.43Å; E1022-S1038 CarbonylContact O-C 3.57Å; E1022-S1038 VanDerWaalsContact O-CA 3.23Å; E1022-S1038 WeakPolarHBondContact O-CA 3.43Å; E1022-S1038 WeakPolarHBondContact O-CB 3.46Å; S1038-R1040 VanDerWaalsContact O-CZ 3.3Å; S1038-R1040 PolarHBondContact O-NE 3.09Å; S1038-R1040 PolarHBondContact O-NH1 3.14Å; S1038-R1040 PolarHBondContact OG-NH1 3.27Å; S1038-G1076 VanDerWaalsContact O-CA 3.25Å; S1038-G1076 WeakPolarHBondContact O-CA 3.44Å; S1038-G1077 PolarHBondContact N-O 2.9Å; S1038-G1077 PolarHBondContact O-N 2.93Å; S1038-G1077 VanDerWaalsContact O-N 3.08Å
1039	M	98.7	Very high	95.4	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	152.3	153.9	-60.7	-57.4	-67.1	0	0	109.9	I907 F909 L912 S1012 E1022 H1075	I907-M1039 HydrophobicContact CD1-SD 4.17Å; I907-M1039 HydrophobicContact CG1-CE 3.95Å; I907-M1039 HydrophobicContact CG1-SD 4.07Å; I907-M1039 WeakPolarHBondContact O-CE 3.39Å; F909-M1039 HydrophobicContact CB-CG 3.9Å; F909-M1039 HydrophobicContact CD2-CG 3.93Å; F909-M1039 HydrophobicContact CG-CG 4.37Å; L912-M1039 HydrophobicContact CB-SD 4.33Å; L912-M1039 HydrophobicContact CD2-SD 4.23Å; S1012-M1039 PolarHBondContact N-O 3.36Å; E1022-M1039 HydrophobicContact CB-CB 3.78Å; E1022-M1039 HydrophobicContact CB-CG 3.86Å; E1022-M1039 PolarHBondContact O-N 3.33Å; E1022-M1039 VanDerWaalsContact OE2-CB 3.28Å; E1022-M1039 WeakPolarHBondContact OE2-CB 3.43Å; E1022-M1039 WeakPolarHBondContact OE2-CG 3.49Å; M1039-H1075 VanDerWaalsContact CE-O 3.23Å; M1039-H1075 WeakPolarHBondContact CE-O 3.5Å
1040	R	98.3	Very high	95.5	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.015	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-110.1	143	-174.7	-38	-52.8	177	171.1	18.1	111.7	Q863 E903 S1012 S1038 W1042 H1075 G1077	Q863-R1040 VanDerWaalsContact CD-NH2 3.27Å; Q863-R1040 VanDerWaalsContact OE1-NH2 3.08Å; E903-R1040 VanDerWaalsContact OE1-CG 3.25Å; E903-R1040 WeakPolarHBondContact OE1-CG 3.35Å; E903-R1040 IonicContact OE1-CZ 3.94Å; E903-R1040 IonicContact OE1-NE 3.47Å; E903-R1040 PolarHBondContact OE1-NE 3.16Å; E903-R1040 IonicContact OE1-NH2 3.36Å; E903-R1040 IonicContact OE2-CZ 3.64Å; E903-R1040 IonicContact OE2-NE 2.88Å; E903-R1040 PolarHBondContact OE2-NE 2.85Å; E903-R1040 IonicContact OE2-NH2 2.83Å; E903-R1040 PolarHBondContact OE2-NH2 3.27Å; S1012-R1040 PolarHBondContact OG-O 2.95Å; S1038-R1040 VanDerWaalsContact O-CZ 3.3Å; S1038-R1040 PolarHBondContact O-NE 3.09Å; S1038-R1040 PolarHBondContact O-NH1 3.14Å; S1038-R1040 PolarHBondContact OG-NH1 3.27Å; R1040-W1042 PolarHBondContact O-N 2.77Å; R1040-W1042 VanDerWaalsContact O-N 3.07Å; R1040-H1075 WeakPolarHBondContact CB-NE2 3.43Å; R1040-H1075 VanDerWaalsContact CG-CD2 3.41Å; R1040-H1075 WeakPolarHBondContact CG-CD2 3.35Å; R1040-H1075 WeakPolarHBondContact CG-NE2 3.33Å; R1040-H1075 PolarHBondContact N-O 2.82Å; R1040-G1077 VanDerWaalsContact NH2-CA 3.32Å; R1040-G1077 PolarHBondContact NH2-O 3.11Å
1041	I	98	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.			trans	-58	117.9	174.7	-64.2	171.7	0	0	0	108.3	F1009 Y1010 S1012 E1046 L1047 A1050 R1068	F1009-I1041 WeakPolarHBondContact O-CD1 3.39Å; Y1010-I1041 PolarHBondContact O-N 3.48Å; S1012-I1041 PolarHBondContact OG-N 2.95Å; I1041-E1046 HydrophobicContact CD1-CG 4.37Å; I1041-E1046 HydrophobicContact CG2-CB 3.72Å; I1041-E1046 HydrophobicContact CG2-CG 3.73Å; I1041-L1047 HydrophobicContact CG2-CB 3.9Å; I1041-A1050 HydrophobicContact CD1-CB 3.97Å; I1041-R1068 PolarHBondContact O-NE 3.5Å; I1041-R1068 PolarHBondContact O-NH2 2.72Å
1042	W	97.4	Very high	96.2	Very high	73 Å²	73	40.3 Å²	40.3	28%	0.277	19%	0.191	S	C	.	.			trans	-112.7	-1.2	-175.9	66.1	-84.3	0	0	0	112.7	I226 R1040 R1068 S1072 C1073 P1074	I226-W1042 HydrophobicContact CG2-CZ3 4.43Å; R1040-W1042 PolarHBondContact O-N 2.77Å; R1040-W1042 VanDerWaalsContact O-N 3.07Å; W1042-R1068 WeakPolarHBondContact O-CG 3.48Å; W1042-S1072 VanDerWaalsContact O-CB 3.26Å; W1042-S1072 WeakPolarHBondContact O-CB 3.31Å; W1042-S1072 PolarHBondContact O-OG 3.17Å; W1042-C1073 WeakPolarHBondContact CB-O 3.32Å; W1042-P1074 HydrophobicContact CD2-CG 4.25Å; W1042-P1074 HydrophobicContact CZ2-CG 4.15Å
1043	K	95.6	Very high	96.1	Very high	114 Å²	114	47 Å²	47	50%	0.496	22%	0.216	S	C	.	.			trans	-95.7	129.9	172.8	-66.2	177.9	-177.7	170.1	0	109.7	Q1045 E1046 L1047	K1043-Q1045 PolarHBondContact O-N 3.48Å; K1043-E1046 HydrophobicContact CB-CB 4.05Å; K1043-E1046 PolarHBondContact O-N 2.79Å; K1043-L1047 PolarHBondContact O-N 3.15Å; K1043-L1047 VanDerWaalsContact O-N 3.1Å
1044	E	94.9	Very high	95.8	Very high	85 Å²	85	49.1 Å²	49.1	40%	0.397	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-53.3	-177.4	-176.8	-178.9	-170	0	0	112.1	E1046 L1047 M1048 R1068 K1069	E1044-E1046 VanDerWaalsContact C-N 3.31Å; E1044-E1046 PolarHBondContact O-N 2.73Å; E1044-L1047 WeakPolarHBondContact O-CB 3.22Å; E1044-L1047 PolarHBondContact O-N 3.32Å; E1044-L1047 VanDerWaalsContact O-N 3.13Å; E1044-M1048 HydrophobicContact CG-CG 4.5Å; E1044-M1048 WeakPolarHBondContact O-CG 3.38Å; E1044-M1048 PolarHBondContact O-N 2.87Å; E1044-R1068 HydrophobicContact CB-CB 4.03Å; E1044-K1069 HydrophobicContact CG-CG 4.4Å; E1044-K1069 WeakPolarHBondContact OE1-CE 3.38Å; E1044-K1069 WeakPolarHBondContact OE1-CG 3.46Å
1045	Q	95.5	Very high	95.7	Very high	127 Å²	127	52.5 Å²	52.5	59%	0.593	26%	0.262	S	S	*	.	H	α-helix	trans	-61.1	-39.6	-177.7	-172.4	60.2	53.9	0	0	112.6	K1043 L1047 M1048 D1049	K1043-Q1045 PolarHBondContact O-N 3.48Å; Q1045-L1047 VanDerWaalsContact C-N 3.3Å; Q1045-L1047 PolarHBondContact O-N 3.02Å; Q1045-M1048 PolarHBondContact O-N 3.26Å; Q1045-D1049 PolarHBondContact NE2-OD1 3.32Å; Q1045-D1049 WeakPolarHBondContact O-CB 3.38Å; Q1045-D1049 PolarHBondContact O-N 2.9Å
1046	E	95.5	Very high	95.4	Very high	48 Å²	48	53.6 Å²	53.6	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-36.5	178.8	-172.7	-179.1	168.3	0	0	111.5	I1041 K1043 E1044 A1050	I1041-E1046 HydrophobicContact CD1-CG 4.37Å; I1041-E1046 HydrophobicContact CG2-CB 3.72Å; I1041-E1046 HydrophobicContact CG2-CG 3.73Å; K1043-E1046 HydrophobicContact CB-CB 4.05Å; K1043-E1046 PolarHBondContact O-N 2.79Å; E1044-E1046 VanDerWaalsContact C-N 3.31Å; E1044-E1046 PolarHBondContact O-N 2.73Å; E1046-A1050 WeakPolarHBondContact O-CB 3.34Å; E1046-A1050 PolarHBondContact O-N 3.43Å
1047	L	96.7	Very high	95.3	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-43.8	175.5	178.3	60.2	0	0	0	111.3	F1009 I1041 K1043 E1044 Q1045 D1049 A1050 F1051 F1064 T1065 R1068	F1009-L1047 HydrophobicContact CD2-CD1 4.47Å; F1009-L1047 HydrophobicContact CE2-CD1 4.2Å; I1041-L1047 HydrophobicContact CG2-CB 3.9Å; K1043-L1047 PolarHBondContact O-N 3.15Å; K1043-L1047 VanDerWaalsContact O-N 3.1Å; E1044-L1047 WeakPolarHBondContact O-CB 3.22Å; E1044-L1047 PolarHBondContact O-N 3.32Å; E1044-L1047 VanDerWaalsContact O-N 3.13Å; Q1045-L1047 VanDerWaalsContact C-N 3.3Å; Q1045-L1047 PolarHBondContact O-N 3.02Å; L1047-D1049 VanDerWaalsContact C-N 3.32Å; L1047-D1049 PolarHBondContact O-N 3.45Å; L1047-A1050 WeakPolarHBondContact O-CA 3.39Å; L1047-A1050 WeakPolarHBondContact O-CB 3.19Å; L1047-A1050 PolarHBondContact O-N 3.3Å; L1047-A1050 VanDerWaalsContact O-N 3.09Å; L1047-F1051 HydrophobicContact CD1-CD2 4.18Å; L1047-F1051 HydrophobicContact CD1-CE2 3.79Å; L1047-F1051 HydrophobicContact CD1-CZ 4.43Å; L1047-F1051 HydrophobicContact CD2-CE2 4.19Å; L1047-F1051 HydrophobicContact CG-CD2 4.05Å; L1047-F1051 HydrophobicContact CG-CE2 3.72Å; L1047-F1051 VanDerWaalsContact O-CD2 3.32Å; L1047-F1051 WeakPolarHBondContact O-CD2 3.38Å; L1047-F1051 PolarHBondContact O-N 3.03Å; L1047-F1064 HydrophobicContact CD1-CD1 4.44Å; L1047-F1064 HydrophobicContact CD1-CE1 3.81Å; L1047-F1064 HydrophobicContact CD2-CD1 3.91Å; L1047-F1064 HydrophobicContact CD2-CE1 3.81Å; L1047-F1064 HydrophobicContact CG-CE1 4.46Å; L1047-T1065 HydrophobicContact CD2-CG2 4.29Å; L1047-R1068 HydrophobicContact CD2-CG 4.24Å
1048	M	97.1	Very high	95.1	Very high	64 Å²	64	58.6 Å²	58.6	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-40	175.7	-64.2	-53.7	-66.7	0	0	111.9	E1044 Q1045 A1050 F1051 K1052 P1058 T1065	E1044-M1048 HydrophobicContact CG-CG 4.5Å; E1044-M1048 WeakPolarHBondContact O-CG 3.38Å; E1044-M1048 PolarHBondContact O-N 2.87Å; Q1045-M1048 PolarHBondContact O-N 3.26Å; M1048-A1050 VanDerWaalsContact C-N 3.3Å; M1048-A1050 PolarHBondContact O-N 3.45Å; M1048-F1051 PolarHBondContact O-N 2.92Å; M1048-F1051 HydrophobicContact SD-CD2 4.41Å; M1048-K1052 PolarHBondContact O-N 3.47Å; M1048-P1058 HydrophobicContact CE-CB 3.81Å; M1048-P1058 HydrophobicContact CE-CG 3.71Å; M1048-P1058 HydrophobicContact SD-CB 4.28Å; M1048-T1065 HydrophobicContact SD-CG2 3.97Å
1049	D	95.6	Very high	94.9	Very high	72 Å²	72	65.7 Å²	65.7	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-66	-33.2	173.9	-67.6	-16.7	0	0	0	111.6	Q1045 L1047 R1053	Q1045-D1049 PolarHBondContact NE2-OD1 3.32Å; Q1045-D1049 WeakPolarHBondContact O-CB 3.38Å; Q1045-D1049 PolarHBondContact O-N 2.9Å; L1047-D1049 VanDerWaalsContact C-N 3.32Å; L1047-D1049 PolarHBondContact O-N 3.45Å; D1049-R1053 WeakPolarHBondContact O-CB 3.19Å; D1049-R1053 VanDerWaalsContact O-CG 3.28Å; D1049-R1053 WeakPolarHBondContact O-CG 3.36Å; D1049-R1053 PolarHBondContact O-N 3.43Å; D1049-R1053 PolarHBondContact O-NE 3.27Å
1050	A	94.1	Very high	94.6	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-46.4	173.8	0	0	0	0	0	112.4	F1009 I1041 E1046 L1047 M1048 K1052 R1053 H1054	F1009-A1050 HydrophobicContact CB-CB 4.45Å; F1009-A1050 HydrophobicContact CD2-CB 4.33Å; F1009-A1050 WeakPolarHBondContact O-CB 3.41Å; I1041-A1050 HydrophobicContact CD1-CB 3.97Å; E1046-A1050 WeakPolarHBondContact O-CB 3.34Å; E1046-A1050 PolarHBondContact O-N 3.43Å; L1047-A1050 WeakPolarHBondContact O-CA 3.39Å; L1047-A1050 WeakPolarHBondContact O-CB 3.19Å; L1047-A1050 PolarHBondContact O-N 3.3Å; L1047-A1050 VanDerWaalsContact O-N 3.09Å; M1048-A1050 VanDerWaalsContact C-N 3.3Å; M1048-A1050 PolarHBondContact O-N 3.45Å; A1050-K1052 VanDerWaalsContact C-N 3.35Å; A1050-K1052 PolarHBondContact O-N 2.97Å; A1050-R1053 PolarHBondContact O-N 2.98Å; A1050-H1054 PolarHBondContact O-N 2.84Å; A1050-H1054 PolarHBondContact O-ND1 3.02Å
1051	F	94.3	Very high	94.5	Very high	1 Å²	1	68.3 Å²	68.3	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-54.9	-50.7	173.2	-80.7	-63.4	0	0	0	111.3	F1009 L1047 M1048 R1053 H1054 G1055 I1056 P1058 Y1061 F1064 T1065	F1009-F1051 HydrophobicContact CD2-CE1 4.45Å; F1009-F1051 HydrophobicContact CE2-CD1 4.04Å; F1009-F1051 AromaticContact CE2-CE1 3.57Å; F1009-F1051 HydrophobicContact CE2-CE1 3.57Å; F1009-F1051 HydrophobicContact CE2-CE2 4.41Å; F1009-F1051 AromaticContact CE2-CZ 3.78Å; F1009-F1051 HydrophobicContact CE2-CZ 3.78Å; F1009-F1051 AromaticContact CZ-CE1 3.86Å; F1009-F1051 HydrophobicContact CZ-CE1 3.86Å; F1009-F1051 HydrophobicContact CZ-CZ 4.24Å; L1047-F1051 HydrophobicContact CD1-CD2 4.18Å; L1047-F1051 HydrophobicContact CD1-CE2 3.79Å; L1047-F1051 HydrophobicContact CD1-CZ 4.43Å; L1047-F1051 HydrophobicContact CD2-CE2 4.19Å; L1047-F1051 HydrophobicContact CG-CD2 4.05Å; L1047-F1051 HydrophobicContact CG-CE2 3.72Å; L1047-F1051 VanDerWaalsContact O-CD2 3.32Å; L1047-F1051 WeakPolarHBondContact O-CD2 3.38Å; L1047-F1051 PolarHBondContact O-N 3.03Å; M1048-F1051 PolarHBondContact O-N 2.92Å; M1048-F1051 HydrophobicContact SD-CD2 4.41Å; F1051-R1053 VanDerWaalsContact C-N 3.33Å; F1051-R1053 PolarHBondContact O-N 2.84Å; F1051-H1054 PolarHBondContact O-N 2.72Å; F1051-H1054 VanDerWaalsContact O-N 3.15Å; F1051-G1055 PolarHBondContact O-N 2.89Å; F1051-G1055 VanDerWaalsContact O-N 3.11Å; F1051-I1056 HydrophobicContact CD1-CB 3.82Å; F1051-I1056 HydrophobicContact CD1-CG2 3.58Å; F1051-I1056 HydrophobicContact CE1-CB 4.49Å; F1051-I1056 HydrophobicContact CE1-CG2 3.81Å; F1051-I1056 PolarHBondContact O-N 2.82Å; F1051-I1056 VanDerWaalsContact O-N 3.14Å; F1051-P1058 HydrophobicContact CB-CB 4.41Å; F1051-P1058 HydrophobicContact CD2-CB 3.94Å; F1051-P1058 HydrophobicContact CE2-CB 4.32Å; F1051-P1058 HydrophobicContact CG-CB 4.07Å; F1051-Y1061 HydrophobicContact CE1-CD1 4.18Å; F1051-Y1061 AromaticContact CE1-CD2 3.84Å; F1051-Y1061 HydrophobicContact CE1-CD2 3.84Å; F1051-Y1061 HydrophobicContact CE1-CE2 4.21Å; F1051-Y1061 AromaticContact CE1-CG 3.82Å; F1051-Y1061 HydrophobicContact CE1-CG 3.82Å; F1051-Y1061 HydrophobicContact CZ-CD1 4.06Å; F1051-Y1061 HydrophobicContact CZ-CD2 4.19Å; F1051-Y1061 AromaticContact CZ-CG 3.73Å; F1051-Y1061 HydrophobicContact CZ-CG 3.73Å; F1051-F1064 HydrophobicContact CZ-CD1 4.19Å; F1051-T1065 HydrophobicContact CE2-CG2 3.87Å
1052	K	94.8	Very high	94.4	Very high	176 Å²	176	72.3 Å²	72.3	77%	0.765	36%	0.356	S	S	*	.	H	α-helix	trans	-58.6	-41.4	178.8	-173.7	177.1	-179.9	178.7	0	112.9	M1048 A1050 H1054 G1055	M1048-K1052 PolarHBondContact O-N 3.47Å; A1050-K1052 VanDerWaalsContact C-N 3.35Å; A1050-K1052 PolarHBondContact O-N 2.97Å; K1052-H1054 VanDerWaalsContact C-N 3.31Å; K1052-H1054 PolarHBondContact O-N 3.04Å; K1052-G1055 PolarHBondContact O-N 2.94Å
1053	R	91.7	Very high	94.3	Very high	141 Å²	141	70 Å²	70	53%	0.532	35%	0.347	S	S	.	.	H	α-helix	trans	-64.7	-32.2	178.6	-79.6	-176.9	-62	-170.4	-0.8	113.5	D1049 A1050 F1051	D1049-R1053 WeakPolarHBondContact O-CB 3.19Å; D1049-R1053 VanDerWaalsContact O-CG 3.28Å; D1049-R1053 WeakPolarHBondContact O-CG 3.36Å; D1049-R1053 PolarHBondContact O-N 3.43Å; D1049-R1053 PolarHBondContact O-NE 3.27Å; A1050-R1053 PolarHBondContact O-N 2.98Å; F1051-R1053 VanDerWaalsContact C-N 3.33Å; F1051-R1053 PolarHBondContact O-N 2.84Å
1054	H	89.7	Confident	94.4	Very high	89 Å²	89	64.6 Å²	64.6	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-97.2	1.6	-177.7	-63.8	80.7	0	0	0	113.1	F1009 A1050 F1051 K1052 I1056	F1009-H1054 WeakPolarHBondContact CB-CE1 3.38Å; F1009-H1054 WeakPolarHBondContact CB-ND1 3.49Å; A1050-H1054 PolarHBondContact O-N 2.84Å; A1050-H1054 PolarHBondContact O-ND1 3.02Å; F1051-H1054 PolarHBondContact O-N 2.72Å; F1051-H1054 VanDerWaalsContact O-N 3.15Å; K1052-H1054 VanDerWaalsContact C-N 3.31Å; K1052-H1054 PolarHBondContact O-N 3.04Å; H1054-I1056 HydrophobicContact CB-CD1 3.9Å; H1054-I1056 HydrophobicContact CB-CG1 4.03Å; H1054-I1056 PolarHBondContact O-N 2.88Å
1055	G	91.8	Very high	94.5	Very high	74 Å²	74	60.9 Å²	60.9	76%	0.763	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	27.9	-178.8	0	0	0	0	0	113.4	F1051 K1052	F1051-G1055 PolarHBondContact O-N 2.89Å; F1051-G1055 VanDerWaalsContact O-N 3.11Å; K1052-G1055 PolarHBondContact O-N 2.94Å
1056	I	91.3	Very high	94.6	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.128	28%	0.282	C	S	.	.			trans	-96.5	129.6	179	-60.3	170.9	0	0	0	108	F1009 F1051 H1054 P1058 Y1061	F1009-I1056 HydrophobicContact CD1-CD1 3.86Å; F1009-I1056 HydrophobicContact CE1-CD1 4Å; F1009-I1056 HydrophobicContact CG-CD1 4.34Å; F1051-I1056 HydrophobicContact CD1-CB 3.82Å; F1051-I1056 HydrophobicContact CD1-CG2 3.58Å; F1051-I1056 HydrophobicContact CE1-CB 4.49Å; F1051-I1056 HydrophobicContact CE1-CG2 3.81Å; F1051-I1056 PolarHBondContact O-N 2.82Å; F1051-I1056 VanDerWaalsContact O-N 3.14Å; H1054-I1056 HydrophobicContact CB-CD1 3.9Å; H1054-I1056 HydrophobicContact CB-CG1 4.03Å; H1054-I1056 PolarHBondContact O-N 2.88Å; I1056-P1058 WeakPolarHBondContact O-CD 3.28Å; I1056-Y1061 HydrophobicContact CG2-CD2 4.34Å; I1056-Y1061 HydrophobicContact CG2-CE2 3.69Å
1057	D	93.1	Very high	94.7	Very high	92 Å²	92	53.8 Å²	53.8	49%	0.492	27%	0.274	S	S	.	.			trans	-68.9	121.4	173.2	-176.7	3.7	0	0	0	110.3	E1059 P1060 Y1061	D1057-E1059 VanDerWaalsContact C-N 3.31Å; D1057-E1059 WeakPolarHBondContact OD1-CB 3.45Å; D1057-E1059 PolarHBondContact OD1-N 3.16Å; D1057-P1060 WeakPolarHBondContact O-CD 3.44Å; D1057-Y1061 WeakPolarHBondContact O-CD2 3.43Å
1058	P	94.4	Very high	94.7	Very high	39 Å²	39	54.2 Å²	54.2	25%	0.253	28%	0.275	S	S	.	.	S	Bend	trans	-75.2	-13.7	178.1	31.3	-36.7	0	0	0	114.1	M1048 F1051 I1056 Y1061 Y1062	M1048-P1058 HydrophobicContact CE-CB 3.81Å; M1048-P1058 HydrophobicContact CE-CG 3.71Å; M1048-P1058 HydrophobicContact SD-CB 4.28Å; F1051-P1058 HydrophobicContact CB-CB 4.41Å; F1051-P1058 HydrophobicContact CD2-CB 3.94Å; F1051-P1058 HydrophobicContact CE2-CB 4.32Å; F1051-P1058 HydrophobicContact CG-CB 4.07Å; I1056-P1058 WeakPolarHBondContact O-CD 3.28Å; P1058-Y1061 CarbonylContact O-C 3.54Å; P1058-Y1061 WeakPolarHBondContact O-CA 3.28Å; P1058-Y1061 WeakPolarHBondContact O-CB 3.32Å; P1058-Y1061 PolarHBondContact O-N 3.08Å; P1058-Y1062 PolarHBondContact O-N 3.02Å
1059	E	94.1	Very high	94.7	Very high	148 Å²	148	54.4 Å²	54.4	69%	0.692	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-57.7	-48.5	-175.2	179.4	174.7	-166.5	0	0	113.2	D1057 Y1061 Y1062	D1057-E1059 VanDerWaalsContact C-N 3.31Å; D1057-E1059 WeakPolarHBondContact OD1-CB 3.45Å; D1057-E1059 PolarHBondContact OD1-N 3.16Å; E1059-Y1061 PolarHBondContact O-N 2.87Å; E1059-Y1061 VanDerWaalsContact O-N 3.08Å; E1059-Y1062 WeakPolarHBondContact O-CD1 3.48Å; E1059-Y1062 PolarHBondContact O-N 2.99Å
1060	P	93	Very high	94.7	Very high	57 Å²	57	51.8 Å²	51.8	37%	0.37	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-65.4	-13.4	175.3	-20.9	34.1	0	0	0	114.3	T838 D1057 W1063	T838-P1060 HydrophobicContact CG2-CB 4.33Å; D1057-P1060 WeakPolarHBondContact O-CD 3.44Å; P1060-W1063 PolarHBondContact O-NE1 3.4Å
1061	Y	95.9	Very high	94.9	Very high	8 Å²	8	51.9 Å²	51.9	3%	0.031	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-102.1	17.8	-179	-64.2	-95.5	0	0	0	112.2	T838 Q839 L864 F1051 I1056 D1057 P1058 E1059 W1063 F1064 T1065	T838-Y1061 HydrophobicContact CG2-CD1 4.09Å; T838-Y1061 HydrophobicContact CG2-CD2 4.44Å; T838-Y1061 HydrophobicContact CG2-CE1 3.8Å; T838-Y1061 HydrophobicContact CG2-CE2 4.16Å; T838-Y1061 HydrophobicContact CG2-CG 4.41Å; Q839-Y1061 VanDerWaalsContact CG-OH 3.24Å; Q839-Y1061 WeakPolarHBondContact CG-OH 3.45Å; Q839-Y1061 PolarHBondContact N-OH 2.91Å; Q839-Y1061 PolarHBondContact O-OH 3.41Å; L864-Y1061 HydrophobicContact CD1-CD1 4.14Å; L864-Y1061 HydrophobicContact CD1-CE1 3.8Å; F1051-Y1061 HydrophobicContact CE1-CD1 4.18Å; F1051-Y1061 AromaticContact CE1-CD2 3.84Å; F1051-Y1061 HydrophobicContact CE1-CD2 3.84Å; F1051-Y1061 HydrophobicContact CE1-CE2 4.21Å; F1051-Y1061 AromaticContact CE1-CG 3.82Å; F1051-Y1061 HydrophobicContact CE1-CG 3.82Å; F1051-Y1061 HydrophobicContact CZ-CD1 4.06Å; F1051-Y1061 HydrophobicContact CZ-CD2 4.19Å; F1051-Y1061 AromaticContact CZ-CG 3.73Å; F1051-Y1061 HydrophobicContact CZ-CG 3.73Å; I1056-Y1061 HydrophobicContact CG2-CD2 4.34Å; I1056-Y1061 HydrophobicContact CG2-CE2 3.69Å; D1057-Y1061 WeakPolarHBondContact O-CD2 3.43Å; P1058-Y1061 CarbonylContact O-C 3.54Å; P1058-Y1061 WeakPolarHBondContact O-CA 3.28Å; P1058-Y1061 WeakPolarHBondContact O-CB 3.32Å; P1058-Y1061 PolarHBondContact O-N 3.08Å; E1059-Y1061 PolarHBondContact O-N 2.87Å; E1059-Y1061 VanDerWaalsContact O-N 3.08Å; Y1061-W1063 PolarHBondContact O-N 3.34Å; Y1061-F1064 WeakPolarHBondContact O-CA 3.23Å; Y1061-F1064 VanDerWaalsContact O-CB 3.3Å; Y1061-F1064 WeakPolarHBondContact O-CB 3.45Å; Y1061-F1064 PolarHBondContact O-N 2.98Å; Y1061-T1065 PolarHBondContact O-N 2.65Å
1062	Y	95.6	Very high	95.1	Very high	83 Å²	83	52.1 Å²	52.1	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-50.8	-44.9	-178.6	71.3	-87.1	0	0	0	112.1	D249 H252 P1058 E1059 F1064 T1065 D1066	D249-Y1062 WeakPolarHBondContact O-CE2 3.38Å; D249-Y1062 PolarHBondContact O-OH 3.32Å; H252-Y1062 AromaticContact CE1-CE2 3.69Å; P1058-Y1062 PolarHBondContact O-N 3.02Å; E1059-Y1062 WeakPolarHBondContact O-CD1 3.48Å; E1059-Y1062 PolarHBondContact O-N 2.99Å; Y1062-F1064 PolarHBondContact O-N 2.79Å; Y1062-T1065 PolarHBondContact O-N 2.91Å; Y1062-T1065 PolarHBondContact O-OG1 3.37Å; Y1062-D1066 WeakPolarHBondContact O-CB 3.18Å; Y1062-D1066 PolarHBondContact O-N 3.3Å
1063	W	96.1	Very high	95.2	Very high	25 Å²	25	44 Å²	44	10%	0.095	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-25.6	178	51.4	-94.7	0	0	0	113.8	H252 T838 L864 Y865 T868 P1060 Y1061 Q1067	H252-W1063 HydrophobicContact CB-CB 4.21Å; T838-W1063 HydrophobicContact CG2-CZ2 3.96Å; L864-W1063 HydrophobicContact CB-CH2 3.7Å; L864-W1063 HydrophobicContact CB-CZ3 3.75Å; L864-W1063 HydrophobicContact CD1-CH2 4.19Å; Y865-W1063 HydrophobicContact CD1-CH2 4.27Å; Y865-W1063 HydrophobicContact CD1-CZ3 4.22Å; Y865-W1063 HydrophobicContact CE1-CH2 4Å; Y865-W1063 HydrophobicContact CE1-CZ2 4.2Å; Y865-W1063 HydrophobicContact CE1-CZ3 4.33Å; T868-W1063 HydrophobicContact CG2-CE3 3.73Å; T868-W1063 HydrophobicContact CG2-CZ3 4.12Å; P1060-W1063 PolarHBondContact O-NE1 3.4Å; Y1061-W1063 PolarHBondContact O-N 3.34Å; W1063-Q1067 PolarHBondContact O-NE2 2.95Å
1064	F	97.1	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-82.1	-42.7	175	-174.7	-113.1	0	0	0	111.8	L864 E867 L1047 F1051 Y1061 Y1062 D1066 Q1067	L864-F1064 HydrophobicContact CB-CD2 4.04Å; L864-F1064 HydrophobicContact CB-CE2 4.18Å; L864-F1064 HydrophobicContact CD2-CD2 4.06Å; L864-F1064 HydrophobicContact CD2-CE1 4.34Å; L864-F1064 HydrophobicContact CD2-CE2 3.5Å; L864-F1064 VanDerWaalsContact CD2-CE2 3.5Å; L864-F1064 HydrophobicContact CD2-CZ 3.67Å; L864-F1064 HydrophobicContact CG-CE2 4.36Å; E867-F1064 HydrophobicContact CB-CE2 4.34Å; E867-F1064 VanDerWaalsContact CD-CE2 3.43Å; E867-F1064 HydrophobicContact CG-CE2 4.47Å; E867-F1064 WeakPolarHBondContact OE2-CE2 3.4Å; E867-F1064 WeakPolarHBondContact OE2-CZ 3.32Å; L1047-F1064 HydrophobicContact CD1-CD1 4.44Å; L1047-F1064 HydrophobicContact CD1-CE1 3.81Å; L1047-F1064 HydrophobicContact CD2-CD1 3.91Å; L1047-F1064 HydrophobicContact CD2-CE1 3.81Å; L1047-F1064 HydrophobicContact CG-CE1 4.46Å; F1051-F1064 HydrophobicContact CZ-CD1 4.19Å; Y1061-F1064 WeakPolarHBondContact O-CA 3.23Å; Y1061-F1064 VanDerWaalsContact O-CB 3.3Å; Y1061-F1064 WeakPolarHBondContact O-CB 3.45Å; Y1061-F1064 PolarHBondContact O-N 2.98Å; Y1062-F1064 PolarHBondContact O-N 2.79Å; F1064-D1066 VanDerWaalsContact C-N 3.32Å; F1064-Q1067 WeakPolarHBondContact O-CB 3.25Å; F1064-Q1067 PolarHBondContact O-N 2.64Å
1065	T	97	Very high	95.9	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-35	175.7	66.3	0	0	0	0	112	L1047 M1048 F1051 Y1061 Y1062 Q1067 R1068 K1069	L1047-T1065 HydrophobicContact CD2-CG2 4.29Å; M1048-T1065 HydrophobicContact SD-CG2 3.97Å; F1051-T1065 HydrophobicContact CE2-CG2 3.87Å; Y1061-T1065 PolarHBondContact O-N 2.65Å; Y1062-T1065 PolarHBondContact O-N 2.91Å; Y1062-T1065 PolarHBondContact O-OG1 3.37Å; T1065-Q1067 PolarHBondContact O-N 2.93Å; T1065-R1068 WeakPolarHBondContact O-CA 3.26Å; T1065-R1068 WeakPolarHBondContact O-CB 3.37Å; T1065-R1068 PolarHBondContact O-N 3.41Å; T1065-K1069 PolarHBondContact O-N 3.34Å
1066	D	97.1	Very high	96.3	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.08	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-25.5	178.1	-76.8	-9.6	0	0	0	112.8	H252 Y1062 F1064 R1068 K1069 Y1070	H252-D1066 IonicContact CD2-OD2 3.27Å; H252-D1066 IonicContact CE1-OD2 3.72Å; H252-D1066 IonicContact NE2-OD2 2.89Å; H252-D1066 PolarHBondContact NE2-OD2 3.23Å; Y1062-D1066 WeakPolarHBondContact O-CB 3.18Å; Y1062-D1066 PolarHBondContact O-N 3.3Å; F1064-D1066 VanDerWaalsContact C-N 3.32Å; D1066-R1068 PolarHBondContact O-N 3.37Å; D1066-R1068 VanDerWaalsContact O-N 3.17Å; D1066-K1069 PolarHBondContact O-N 3.44Å; D1066-K1069 IonicContact OD1-NZ 2.89Å; D1066-K1069 PolarHBondContact OD1-NZ 3.35Å; D1066-Y1070 HydrophobicContact CB-CD2 4.07Å; D1066-Y1070 HydrophobicContact CB-CE2 4.34Å; D1066-Y1070 WeakPolarHBondContact O-CD2 3.22Å; D1066-Y1070 PolarHBondContact O-N 2.93Å
1067	Q	97.9	Very high	96.6	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-27.4	172.5	-52.7	-48.1	-42.9	0	0	112	T868 W1063 F1064 T1065 S1072	T868-Q1067 HydrophobicContact CG2-CG 4.31Å; W1063-Q1067 PolarHBondContact O-NE2 2.95Å; F1064-Q1067 WeakPolarHBondContact O-CB 3.25Å; F1064-Q1067 PolarHBondContact O-N 2.64Å; T1065-Q1067 PolarHBondContact O-N 2.93Å; Q1067-S1072 WeakPolarHBondContact O-CA 3.43Å
1068	R	97.9	Very high	96.9	Very high	10 Å²	10	26.4 Å²	26.4	4%	0.038	13%	0.132	C	C	.	.	H	α-helix	trans	-86.7	-18.8	178.7	-75.3	65.8	-175.2	164.5	8.5	112.3	E867 I1041 W1042 E1044 L1047 T1065 D1066 H1075	E867-R1068 IonicContact OE2-CZ 2.68Å; E867-R1068 VanDerWaalsContact OE2-CZ 3.27Å; E867-R1068 IonicContact OE2-NH1 2.79Å; E867-R1068 PolarHBondContact OE2-NH1 2.77Å; E867-R1068 IonicContact OE2-NH2 2.58Å; E867-R1068 PolarHBondContact OE2-NH2 2.67Å; I1041-R1068 PolarHBondContact O-NE 3.5Å; I1041-R1068 PolarHBondContact O-NH2 2.72Å; W1042-R1068 WeakPolarHBondContact O-CG 3.48Å; E1044-R1068 HydrophobicContact CB-CB 4.03Å; L1047-R1068 HydrophobicContact CD2-CG 4.24Å; T1065-R1068 WeakPolarHBondContact O-CA 3.26Å; T1065-R1068 WeakPolarHBondContact O-CB 3.37Å; T1065-R1068 PolarHBondContact O-N 3.41Å; D1066-R1068 PolarHBondContact O-N 3.37Å; D1066-R1068 VanDerWaalsContact O-N 3.17Å; R1068-H1075 PolarHBondContact NH2-CE1 3.23Å; R1068-H1075 PolarHBondContact NH2-NE2 2.74Å
1069	K	96	Very high	97.1	Very high	68 Å²	68	25.2 Å²	25.2	30%	0.296	13%	0.126	S	C	.	.	H	α-helix	trans	-89.5	-40.3	176.6	-63.2	176.5	-163.3	149.7	0	112.9	A229 P230 E1044 T1065 D1066 G1071	A229-K1069 WeakPolarHBondContact CA-O 3.29Å; P230-K1069 WeakPolarHBondContact CD-O 3.42Å; E1044-K1069 HydrophobicContact CG-CG 4.4Å; E1044-K1069 WeakPolarHBondContact OE1-CE 3.38Å; E1044-K1069 WeakPolarHBondContact OE1-CG 3.46Å; T1065-K1069 PolarHBondContact O-N 3.34Å; D1066-K1069 PolarHBondContact O-N 3.44Å; D1066-K1069 IonicContact OD1-NZ 2.89Å; D1066-K1069 PolarHBondContact OD1-NZ 3.35Å; K1069-G1071 PolarHBondContact O-N 3.34Å
1070	Y	97	Very high	97.1	Very high	17 Å²	17	18.1 Å²	18.1	7%	0.067	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	72	-175.1	-69.1	-94.1	0	0	0	110.5	E194 P230 V237 L253 R256 D1066	E194-Y1070 HydrophobicContact CB-CD1 4.49Å; P230-Y1070 HydrophobicContact CB-CE1 4.48Å; P230-Y1070 HydrophobicContact CG-CD1 4.38Å; P230-Y1070 HydrophobicContact CG-CE1 3.88Å; P230-Y1070 HydrophobicContact CG-CE2 4.37Å; V237-Y1070 WeakPolarHBondContact CG2-OH 3.31Å; L253-Y1070 HydrophobicContact CD1-CE2 4.32Å; L253-Y1070 HydrophobicContact CD2-CD1 4.49Å; L253-Y1070 HydrophobicContact CD2-CD2 4.05Å; L253-Y1070 HydrophobicContact CD2-CE2 4.46Å; L253-Y1070 HydrophobicContact CD2-CG 4.08Å; R256-Y1070 PolarHBondContact NH1-O 3.37Å; R256-Y1070 PolarHBondContact NH2-O 3.2Å; D1066-Y1070 HydrophobicContact CB-CD2 4.07Å; D1066-Y1070 HydrophobicContact CB-CE2 4.34Å; D1066-Y1070 WeakPolarHBondContact O-CD2 3.22Å; D1066-Y1070 PolarHBondContact O-N 2.93Å
1071	G	96.7	Very high	97.3	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	63.3	177.5	0	0	0	0	0	113.6	W151 E194 S196 D228 K1069	W151-G1071 PolarHBondContact NE1-O 2.97Å; E194-G1071 WeakPolarHBondContact O-CA 3.26Å; S196-G1071 WeakPolarHBondContact CB-O 3.35Å; D228-G1071 WeakPolarHBondContact O-CA 3.46Å; D228-G1071 PolarHBondContact O-N 3.01Å; K1069-G1071 PolarHBondContact O-N 3.34Å
1072	S	98.1	Very high	97.3	Very high	6 Å²	6	15.6 Å²	15.6	4%	0.042	8%	0.079	C	C	.	.			trans	-60.9	157.1	176.9	-159.9	0	0	0	0	113.1	S196 W1042 Q1067	S196-S1072 WeakPolarHBondContact CB-O 3.37Å; S196-S1072 PolarHBondContact OG-O 3.46Å; W1042-S1072 VanDerWaalsContact O-CB 3.26Å; W1042-S1072 WeakPolarHBondContact O-CB 3.31Å; W1042-S1072 PolarHBondContact O-OG 3.17Å; Q1067-S1072 WeakPolarHBondContact O-CA 3.43Å
1073	C	98.3	Very high	97.4	Very high	6 Å²	6	11.7 Å²	11.7	4%	0.041	6%	0.064	C	C	.	.			trans	-145.4	154.4	174.1	66.7	0	0	0	0	111.5	F906 W1042 H1075	F906-C1073 HydrophobicContact CD1-CB 3.67Å; F906-C1073 HydrophobicContact CE1-CB 3.34Å; F906-C1073 HydrophobicContact CG-CB 4.46Å; F906-C1073 HydrophobicContact CZ-CB 3.91Å; W1042-C1073 WeakPolarHBondContact CB-O 3.32Å; C1073-H1075 PolarHBondContact O-N 3.16Å; C1073-H1075 PolarHBondContact O-ND1 3.17Å
1074	P	98	Very high	97.4	Very high	40 Å²	40	11.7 Å²	11.7	26%	0.26	6%	0.064	S	C	.	.			trans	-59.6	124.2	163.3	-21.2	32.8	0	0	0	109.9	F906 I907 W1042	F906-P1074 WeakPolarHBondContact CA-O 3.32Å; F906-P1074 PolarHBondContact N-O 3.23Å; I907-P1074 PolarHBondContact N-O 2.79Å; W1042-P1074 HydrophobicContact CD2-CG 4.25Å; W1042-P1074 HydrophobicContact CZ2-CG 4.15Å
1075	H	98.8	Very high	97.4	Very high	7 Å²	7	11.8 Å²	11.8	3%	0.032	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.1	-178.7	62.3	-77.6	0	0	0	110.2	E867 L870 E903 C904 M1039 R1040 R1068 C1073	E867-H1075 IonicContact OE2-NE2 2.74Å; E867-H1075 PolarHBondContact OE2-NE2 2.85Å; L870-H1075 HydrophobicContact CD1-CB 3.86Å; E903-H1075 IonicContact OE1-CD2 3.3Å; C904-H1075 WeakPolarHBondContact O-CA 3.22Å; C904-H1075 WeakPolarHBondContact O-CB 3.29Å; M1039-H1075 VanDerWaalsContact CE-O 3.23Å; M1039-H1075 WeakPolarHBondContact CE-O 3.5Å; R1040-H1075 WeakPolarHBondContact CB-NE2 3.43Å; R1040-H1075 VanDerWaalsContact CG-CD2 3.41Å; R1040-H1075 WeakPolarHBondContact CG-CD2 3.35Å; R1040-H1075 WeakPolarHBondContact CG-NE2 3.33Å; R1040-H1075 PolarHBondContact N-O 2.82Å; R1068-H1075 PolarHBondContact NH2-CE1 3.23Å; R1068-H1075 PolarHBondContact NH2-NE2 2.74Å; C1073-H1075 PolarHBondContact O-N 3.16Å; C1073-H1075 PolarHBondContact O-ND1 3.17Å
1076	G	98.7	Very high	97.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	168.3	178.6	0	0	0	0	0	111.3	E903 C904 S1038	E903-G1076 WeakPolarHBondContact OE1-CA 3.39Å; C904-G1076 PolarHBondContact N-O 3.26Å; C904-G1076 PolarHBondContact O-N 3.04Å; S1038-G1076 VanDerWaalsContact O-CA 3.25Å; S1038-G1076 WeakPolarHBondContact O-CA 3.44Å
1077	G	98.7	Very high	97.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	-173.4	-176.6	0	0	0	0	0	112.2	A902 E903 G1037 S1038 R1040	A902-G1077 CarbonylContact O-C 3.54Å; A902-G1077 WeakPolarHBondContact O-CA 3.41Å; E903-G1077 PolarHBondContact OE1-N 2.94Å; E903-G1077 WeakPolarHBondContact OE2-CA 3.45Å; G1037-G1077 VanDerWaalsContact CA-O 3.23Å; G1037-G1077 WeakPolarHBondContact CA-O 3.32Å; S1038-G1077 PolarHBondContact N-O 2.9Å; S1038-G1077 PolarHBondContact O-N 2.93Å; S1038-G1077 VanDerWaalsContact O-N 3.08Å; R1040-G1077 VanDerWaalsContact NH2-CA 3.32Å; R1040-G1077 PolarHBondContact NH2-O 3.11Å
1078	Y	98.6	Very high	97.2	Very high	5 Å²	5	11.6 Å²	11.6	2%	0.02	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.8	-173	54.7	-92.7	0	0	0	111.6	F822 E901 A902 L912 L916 I919 V1035 G1036	F822-Y1078 WeakPolarHBondContact CE1-OH 3.41Å; F822-Y1078 HydrophobicContact CZ-CE2 4.47Å; E901-Y1078 WeakPolarHBondContact CA-O 3.41Å; A902-Y1078 HydrophobicContact CB-CE1 4.19Å; A902-Y1078 HydrophobicContact CB-CE2 4.03Å; A902-Y1078 PolarHBondContact N-O 3.25Å; A902-Y1078 PolarHBondContact O-N 3.41Å; L912-Y1078 HydrophobicContact CD1-CD1 3.84Å; L916-Y1078 HydrophobicContact CD2-CD1 3.58Å; L916-Y1078 HydrophobicContact CD2-CD2 3.7Å; L916-Y1078 HydrophobicContact CD2-CE1 4.1Å; L916-Y1078 HydrophobicContact CD2-CE2 4.19Å; L916-Y1078 HydrophobicContact CD2-CG 3.36Å; L916-Y1078 HydrophobicContact CG-CD1 4.19Å; L916-Y1078 HydrophobicContact CG-CG 4.37Å; I919-Y1078 HydrophobicContact CD1-CE2 4.08Å; I919-Y1078 HydrophobicContact CG2-CE2 4.42Å; V1035-Y1078 HydrophobicContact CG1-CD2 4.19Å; V1035-Y1078 HydrophobicContact CG1-CG 4.38Å; G1036-Y1078 CarbonylContact O-C 3.5Å; G1036-Y1078 VanDerWaalsContact O-CA 3.3Å; G1036-Y1078 WeakPolarHBondContact O-CA 3.08Å
1079	G	98	Very high	97.1	Very high	13 Å²	13	11.2 Å²	11.2	13%	0.134	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.1	172.5	0	0	0	0	0	110.9	H899 V900 V1035 G1036	H899-G1079 WeakPolarHBondContact NE2-CA 3.42Å; V900-G1079 WeakPolarHBondContact O-CA 3.46Å; V1035-G1079 WeakPolarHBondContact CA-O 3.36Å; V1035-G1079 WeakPolarHBondContact CG1-O 3.36Å; G1036-G1079 PolarHBondContact N-O 3.17Å; G1036-G1079 PolarHBondContact O-N 2.61Å
1080	L	95.9	Very high	97	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.8	179.1	175.3	158.4	0	0	0	109.1	F818 V900 V1035 L1082 F1085	F818-L1080 HydrophobicContact CE1-CD1 3.78Å; F818-L1080 HydrophobicContact CE1-CD2 4.28Å; F818-L1080 HydrophobicContact CE2-CD2 4.24Å; F818-L1080 HydrophobicContact CZ-CD1 3.65Å; F818-L1080 HydrophobicContact CZ-CD2 3.7Å; F818-L1080 HydrophobicContact CZ-CG 4.4Å; V900-L1080 HydrophobicContact CB-CB 4.24Å; V900-L1080 HydrophobicContact CB-CD2 4.14Å; V900-L1080 HydrophobicContact CG2-CD2 4.14Å; V900-L1080 PolarHBondContact N-O 3.29Å; V900-L1080 PolarHBondContact O-N 2.74Å; V1035-L1080 HydrophobicContact CG1-CB 4.41Å; V1035-L1080 HydrophobicContact CG2-CB 3.87Å; V1035-L1080 HydrophobicContact CG2-CD1 3.61Å; V1035-L1080 HydrophobicContact CG2-CG 3.84Å; L1080-L1082 PolarHBondContact O-N 3.01Å; L1080-F1085 HydrophobicContact CD1-CD2 3.65Å; L1080-F1085 HydrophobicContact CD1-CE2 4.12Å; L1080-F1085 HydrophobicContact CD1-CG 4.32Å; L1080-F1085 HydrophobicContact CD2-CB 3.87Å; L1080-F1085 HydrophobicContact CD2-CD2 4.44Å; L1080-F1085 HydrophobicContact CD2-CG 4.34Å; L1080-F1085 HydrophobicContact CG-CB 4.41Å; L1080-F1085 HydrophobicContact CG-CD2 4.36Å
1081	G	95.5	Very high	96.9	Very high	11 Å²	11	9.1 Å²	9.1	11%	0.113	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	109.6	171.9	0	0	0	0	0	110.2	V1034 E1083 R1084 F1085	V1034-G1081 PolarHBondContact O-N 3.47Å; G1081-E1083 VanDerWaalsContact C-N 3.27Å; G1081-E1083 PolarHBondContact O-N 3.16Å; G1081-R1084 WeakPolarHBondContact O-CB 3.5Å; G1081-R1084 PolarHBondContact O-N 2.9Å; G1081-F1085 PolarHBondContact O-N 2.97Å
1082	L	97.6	Very high	96.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.8	-43.3	-174.4	-178.3	71	0	0	0	111.5	L814 L815 F818 T898 V900 L1080 R1084 F1085 L1086	L814-L1082 HydrophobicContact CD2-CD1 3.55Å; L814-L1082 HydrophobicContact CD2-CG 4.36Å; L814-L1082 HydrophobicContact CG-CD1 3.89Å; L815-L1082 HydrophobicContact CD2-CD1 4.46Å; L815-L1082 HydrophobicContact CD2-CD2 3.56Å; L815-L1082 HydrophobicContact CG-CD2 3.92Å; F818-L1082 HydrophobicContact CD2-CD1 3.91Å; F818-L1082 HydrophobicContact CE2-CD1 3.72Å; T898-L1082 HydrophobicContact CG2-CB 4.16Å; T898-L1082 HydrophobicContact CG2-CD2 3.74Å; T898-L1082 VanDerWaalsContact O-CB 3.31Å; T898-L1082 WeakPolarHBondContact O-CB 3.37Å; T898-L1082 PolarHBondContact O-N 2.79Å; V900-L1082 HydrophobicContact CG2-CB 4.4Å; V900-L1082 HydrophobicContact CG2-CD1 4.37Å; L1080-L1082 PolarHBondContact O-N 3.01Å; L1082-R1084 VanDerWaalsContact C-N 3.31Å; L1082-R1084 PolarHBondContact O-N 2.99Å; L1082-F1085 PolarHBondContact O-N 3.11Å; L1082-L1086 WeakPolarHBondContact O-CB 3.48Å; L1082-L1086 PolarHBondContact O-N 3.05Å
1083	E	97.1	Very high	96.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-35.3	-179.7	-69.4	72.3	-154.6	0	0	112.1	R811 L894 T898 G1081 T1087 I1095 T1098 I1099	R811-E1083 IonicContact CZ-OE1 2.84Å; R811-E1083 IonicContact NH1-OE1 3.83Å; R811-E1083 PolarHBondContact NH1-OE1 3Å; R811-E1083 IonicContact NH2-OE1 3.43Å; R811-E1083 PolarHBondContact NH2-OE1 3.14Å; L894-E1083 HydrophobicContact CD1-CB 4.16Å; L894-E1083 HydrophobicContact CD1-CG 3.85Å; T898-E1083 WeakPolarHBondContact CB-OE1 3.29Å; T898-E1083 PolarHBondContact N-OE1 2.9Å; T898-E1083 PolarHBondContact N-OE2 2.85Å; T898-E1083 PolarHBondContact OG1-OE1 3.32Å; T898-E1083 VanDerWaalsContact OG1-OE1 3.11Å; G1081-E1083 VanDerWaalsContact C-N 3.27Å; G1081-E1083 PolarHBondContact O-N 3.16Å; E1083-T1087 WeakPolarHBondContact O-CB 3.45Å; E1083-T1087 PolarHBondContact O-N 3.24Å; E1083-T1087 PolarHBondContact O-OG1 3.33Å; E1083-I1095 HydrophobicContact CB-CD1 3.65Å; E1083-I1095 HydrophobicContact CB-CG1 3.47Å; E1083-I1095 VanDerWaalsContact CB-CG1 3.47Å; E1083-I1095 HydrophobicContact CG-CG1 4.49Å; E1083-T1098 PolarHBondContact O-OG1 3.24Å; E1083-I1099 HydrophobicContact CG-CB 4.03Å; E1083-I1099 HydrophobicContact CG-CD1 4.39Å
1084	R	95.6	Very high	96.1	Very high	26 Å²	26	21.2 Å²	21.2	10%	0.098	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-44.4	174.5	-66.7	-171	-179.9	179.8	4.8	111	R892 H893 V1031 E1033 V1034 G1081 L1082 T1087 W1088 I1095	R892-R1084 PolarHBondContact O-NE 3.33Å; R892-R1084 VanDerWaalsContact O-NE 3.07Å; H893-R1084 PolarHBondContact CD2-NH2 3.39Å; H893-R1084 PolarHBondContact NE2-NH2 3.15Å; H893-R1084 VanDerWaalsContact NE2-NH2 3.12Å; V1031-R1084 HydrophobicContact CG1-CB 4.32Å; E1033-R1084 VanDerWaalsContact O-CD 3.3Å; E1033-R1084 WeakPolarHBondContact O-CD 3.43Å; E1033-R1084 PolarHBondContact O-NH1 2.88Å; E1033-R1084 VanDerWaalsContact O-NH1 3.1Å; E1033-R1084 IonicContact OE2-NH1 3.2Å; E1033-R1084 PolarHBondContact OE2-NH1 3.48Å; V1034-R1084 HydrophobicContact CG1-CB 4.27Å; G1081-R1084 WeakPolarHBondContact O-CB 3.5Å; G1081-R1084 PolarHBondContact O-N 2.9Å; L1082-R1084 VanDerWaalsContact C-N 3.31Å; L1082-R1084 PolarHBondContact O-N 2.99Å; R1084-T1087 WeakPolarHBondContact O-CB 3.49Å; R1084-T1087 PolarHBondContact O-N 3.26Å; R1084-W1088 PolarHBondContact O-N 3.36Å; R1084-W1088 VanDerWaalsContact O-N 3.12Å; R1084-I1095 HydrophobicContact CG-CD1 3.73Å
1085	F	96.5	Very high	95.9	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-42	175.5	-167.7	-83	0	0	0	111.9	L814 F818 V920 V923 L1080 G1081 L1082 T1087 W1088 V1089	L814-F1085 HydrophobicContact CD1-CD1 3.77Å; L814-F1085 HydrophobicContact CD1-CE1 3.58Å; L814-F1085 HydrophobicContact CD2-CD1 3.84Å; L814-F1085 HydrophobicContact CD2-CE1 4.5Å; L814-F1085 HydrophobicContact CG-CD1 4.39Å; F818-F1085 HydrophobicContact CE2-CD1 4.17Å; F818-F1085 HydrophobicContact CE2-CE1 4.32Å; F818-F1085 HydrophobicContact CZ-CD1 4.08Å; F818-F1085 HydrophobicContact CZ-CD2 4.23Å; F818-F1085 HydrophobicContact CZ-CE1 4.1Å; F818-F1085 HydrophobicContact CZ-CE2 4.22Å; F818-F1085 HydrophobicContact CZ-CG 4.12Å; F818-F1085 HydrophobicContact CZ-CZ 4.13Å; V920-F1085 HydrophobicContact CB-CE2 4.48Å; V920-F1085 HydrophobicContact CG1-CE2 4.19Å; V920-F1085 HydrophobicContact CG2-CE2 4.26Å; V923-F1085 HydrophobicContact CG1-CE1 4.16Å; V923-F1085 HydrophobicContact CG1-CZ 4.26Å; L1080-F1085 HydrophobicContact CD1-CD2 3.65Å; L1080-F1085 HydrophobicContact CD1-CE2 4.12Å; L1080-F1085 HydrophobicContact CD1-CG 4.32Å; L1080-F1085 HydrophobicContact CD2-CB 3.87Å; L1080-F1085 HydrophobicContact CD2-CD2 4.44Å; L1080-F1085 HydrophobicContact CD2-CG 4.34Å; L1080-F1085 HydrophobicContact CG-CB 4.41Å; L1080-F1085 HydrophobicContact CG-CD2 4.36Å; G1081-F1085 PolarHBondContact O-N 2.97Å; L1082-F1085 PolarHBondContact O-N 3.11Å; F1085-T1087 VanDerWaalsContact C-N 3.32Å; F1085-T1087 PolarHBondContact O-N 2.91Å; F1085-W1088 HydrophobicContact CD1-CE3 4.32Å; F1085-W1088 HydrophobicContact CD2-CE3 4.11Å; F1085-W1088 HydrophobicContact CD2-CZ3 4.28Å; F1085-W1088 HydrophobicContact CE1-CE3 4.17Å; F1085-W1088 AromaticContact CE1-CZ3 3.95Å; F1085-W1088 HydrophobicContact CE1-CZ3 3.95Å; F1085-W1088 AromaticContact CE2-CE3 3.97Å; F1085-W1088 HydrophobicContact CE2-CE3 3.97Å; F1085-W1088 AromaticContact CE2-CZ3 3.67Å; F1085-W1088 HydrophobicContact CE2-CZ3 3.67Å; F1085-W1088 HydrophobicContact CG-CE3 4.33Å; F1085-W1088 HydrophobicContact CZ-CE3 4.03Å; F1085-W1088 AromaticContact CZ-CZ3 3.51Å; F1085-W1088 HydrophobicContact CZ-CZ3 3.51Å; F1085-W1088 WeakPolarHBondContact O-CB 3.48Å; F1085-W1088 PolarHBondContact O-N 2.81Å; F1085-V1089 HydrophobicContact CD1-CG2 3.77Å; F1085-V1089 HydrophobicContact CE1-CG2 3.57Å; F1085-V1089 HydrophobicContact CZ-CG2 4.48Å; F1085-V1089 WeakPolarHBondContact O-CG2 3.46Å; F1085-V1089 PolarHBondContact O-N 3.4Å
1086	L	96.6	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-38.2	176.8	-178	56	0	0	0	111.5	I807 V810 R811 L814 L1082 W1088 V1089 T1090 T1098	I807-L1086 HydrophobicContact CG2-CD2 4.21Å; V810-L1086 HydrophobicContact CB-CD1 4.4Å; V810-L1086 HydrophobicContact CG1-CD1 3.72Å; R811-L1086 HydrophobicContact CB-CD2 3.53Å; R811-L1086 HydrophobicContact CG-CD2 3.8Å; L814-L1086 HydrophobicContact CD2-CB 3.94Å; L814-L1086 HydrophobicContact CD2-CD1 4.16Å; L1082-L1086 WeakPolarHBondContact O-CB 3.48Å; L1082-L1086 PolarHBondContact O-N 3.05Å; L1086-W1088 VanDerWaalsContact C-N 3.29Å; L1086-W1088 PolarHBondContact O-N 3.39Å; L1086-V1089 PolarHBondContact O-N 2.92Å; L1086-T1090 HydrophobicContact CD1-CG2 3.58Å; L1086-T1090 HydrophobicContact CG-CG2 4.39Å; L1086-T1090 WeakPolarHBondContact O-CB 3.31Å; L1086-T1090 PolarHBondContact O-N 3.32Å; L1086-T1090 PolarHBondContact O-OG1 3.04Å; L1086-T1098 HydrophobicContact CB-CG2 4.35Å; L1086-T1098 HydrophobicContact CD2-CG2 4.33Å; L1086-T1098 WeakPolarHBondContact CD2-O 3.33Å; L1086-T1098 HydrophobicContact CG-CG2 3.96Å
1087	T	96	Very high	95.5	Very high	10 Å²	10	24.5 Å²	24.5	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-43.9	174.2	-59.3	0	0	0	0	110.9	V1031 E1083 R1084 F1085 G1091 R1092 T1098	V1031-T1087 HydrophobicContact CG2-CG2 4.12Å; E1083-T1087 WeakPolarHBondContact O-CB 3.45Å; E1083-T1087 PolarHBondContact O-N 3.24Å; E1083-T1087 PolarHBondContact O-OG1 3.33Å; R1084-T1087 WeakPolarHBondContact O-CB 3.49Å; R1084-T1087 PolarHBondContact O-N 3.26Å; F1085-T1087 VanDerWaalsContact C-N 3.32Å; F1085-T1087 PolarHBondContact O-N 2.91Å; T1087-G1091 WeakPolarHBondContact O-CA 3.38Å; T1087-G1091 PolarHBondContact O-N 2.88Å; T1087-R1092 HydrophobicContact CG2-CB 4.14Å; T1087-R1092 WeakPolarHBondContact CG2-O 3.38Å; T1087-R1092 PolarHBondContact O-N 3.16Å; T1087-T1098 WeakPolarHBondContact OG1-CG2 3.17Å
1088	W	95.2	Very high	95.4	Very high	21 Å²	21	24.5 Å²	24.5	8%	0.08	12%	0.12	C	C	.	.	H	α-helix	trans	-62.5	-52.8	174.6	166.6	61.2	0	0	0	112	V920 A924 F943 P946 M1028 V1031 R1084 F1085 L1086 T1090 G1091	V920-W1088 HydrophobicContact CG1-CH2 4.08Å; V920-W1088 HydrophobicContact CG1-CZ3 4.13Å; A924-W1088 HydrophobicContact CB-CH2 4.39Å; F943-W1088 HydrophobicContact CE2-CD2 4.4Å; F943-W1088 AromaticContact CE2-CE2 3.9Å; F943-W1088 HydrophobicContact CE2-CH2 4Å; F943-W1088 AromaticContact CE2-CZ2 3.67Å; F943-W1088 HydrophobicContact CE2-CZ2 3.67Å; F943-W1088 HydrophobicContact CE2-CZ3 4.47Å; F943-W1088 HydrophobicContact CZ-CH2 4.02Å; F943-W1088 HydrophobicContact CZ-CZ2 4.09Å; P946-W1088 HydrophobicContact CG-CH2 4Å; P946-W1088 HydrophobicContact CG-CZ2 4.24Å; M1028-W1088 HydrophobicContact CB-CG 4.29Å; M1028-W1088 HydrophobicContact CE-CD2 3.72Å; M1028-W1088 HydrophobicContact CE-CE3 4.07Å; M1028-W1088 HydrophobicContact CE-CG 4.49Å; M1028-W1088 HydrophobicContact CE-CH2 3.46Å; M1028-W1088 VanDerWaalsContact CE-CH2 3.46Å; M1028-W1088 HydrophobicContact CE-CZ2 3.04Å; M1028-W1088 HydrophobicContact CE-CZ3 3.94Å; V1031-W1088 HydrophobicContact CG2-CB 3.67Å; R1084-W1088 PolarHBondContact O-N 3.36Å; R1084-W1088 VanDerWaalsContact O-N 3.12Å; F1085-W1088 HydrophobicContact CD1-CE3 4.32Å; F1085-W1088 HydrophobicContact CD2-CE3 4.11Å; F1085-W1088 HydrophobicContact CD2-CZ3 4.28Å; F1085-W1088 HydrophobicContact CE1-CE3 4.17Å; F1085-W1088 AromaticContact CE1-CZ3 3.95Å; F1085-W1088 HydrophobicContact CE1-CZ3 3.95Å; F1085-W1088 AromaticContact CE2-CE3 3.97Å; F1085-W1088 HydrophobicContact CE2-CE3 3.97Å; F1085-W1088 AromaticContact CE2-CZ3 3.67Å; F1085-W1088 HydrophobicContact CE2-CZ3 3.67Å; F1085-W1088 HydrophobicContact CG-CE3 4.33Å; F1085-W1088 HydrophobicContact CZ-CE3 4.03Å; F1085-W1088 AromaticContact CZ-CZ3 3.51Å; F1085-W1088 HydrophobicContact CZ-CZ3 3.51Å; F1085-W1088 WeakPolarHBondContact O-CB 3.48Å; F1085-W1088 PolarHBondContact O-N 2.81Å; L1086-W1088 VanDerWaalsContact C-N 3.29Å; L1086-W1088 PolarHBondContact O-N 3.39Å; W1088-T1090 PolarHBondContact O-N 3.12Å; W1088-G1091 PolarHBondContact O-N 2.88Å
1089	V	95.5	Very high	95.2	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-44.1	-177.3	173.3	0	0	0	0	111.7	V936 N940 F943 F1085 L1086	V936-V1089 HydrophobicContact CG1-CG1 3.69Å; V936-V1089 HydrophobicContact CG2-CG1 4.04Å; N940-V1089 WeakPolarHBondContact CB-O 3.37Å; N940-V1089 PolarHBondContact ND2-O 3.48Å; F943-V1089 HydrophobicContact CE2-CB 4.31Å; F943-V1089 HydrophobicContact CE2-CG1 4.39Å; F943-V1089 HydrophobicContact CE2-CG2 4.17Å; F943-V1089 HydrophobicContact CZ-CG1 4.41Å; F943-V1089 HydrophobicContact CZ-CG2 4.28Å; F1085-V1089 HydrophobicContact CD1-CG2 3.77Å; F1085-V1089 HydrophobicContact CE1-CG2 3.57Å; F1085-V1089 HydrophobicContact CZ-CG2 4.48Å; F1085-V1089 WeakPolarHBondContact O-CG2 3.46Å; F1085-V1089 PolarHBondContact O-N 3.4Å; L1086-V1089 PolarHBondContact O-N 2.92Å
1090	T	95.8	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-91.1	2.4	-175.7	57.7	0	0	0	0	114.2	V810 L939 L1086 W1088 R1092	V810-T1090 HydrophobicContact CB-CG2 4.39Å; V810-T1090 HydrophobicContact CG1-CG2 3.89Å; L939-T1090 HydrophobicContact CD1-CG2 3.87Å; L1086-T1090 HydrophobicContact CD1-CG2 3.58Å; L1086-T1090 HydrophobicContact CG-CG2 4.39Å; L1086-T1090 WeakPolarHBondContact O-CB 3.31Å; L1086-T1090 PolarHBondContact O-N 3.32Å; L1086-T1090 PolarHBondContact O-OG1 3.04Å; W1088-T1090 PolarHBondContact O-N 3.12Å; T1090-R1092 PolarHBondContact O-N 2.8Å; T1090-R1092 PolarHBondContact O-NE 3.29Å; T1090-R1092 PolarHBondContact O-NH2 3.49Å; T1090-R1092 WeakPolarHBondContact OG1-CG 3.39Å
1091	G	94.3	Very high	95.3	Very high	40 Å²	40	24.2 Å²	24.2	41%	0.412	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	33.3	179.1	0	0	0	0	0	113.2	N940 T1087 W1088	N940-G1091 PolarHBondContact ND2-N 2.85Å; T1087-G1091 WeakPolarHBondContact O-CA 3.38Å; T1087-G1091 PolarHBondContact O-N 2.88Å; W1088-G1091 PolarHBondContact O-N 2.88Å
1092	R	93.8	Very high	95.3	Very high	61 Å²	61	23.7 Å²	23.7	23%	0.23	11%	0.11	C	C	.	.			trans	-78	148.3	177.5	-66.8	-52.8	92.1	172.5	1.1	110.5	I807 L939 T1087 T1090 D1097 T1098	I807-R1092 HydrophobicContact CD1-CG 4.16Å; L939-R1092 PolarHBondContact O-NH2 2.95Å; T1087-R1092 HydrophobicContact CG2-CB 4.14Å; T1087-R1092 WeakPolarHBondContact CG2-O 3.38Å; T1087-R1092 PolarHBondContact O-N 3.16Å; T1090-R1092 PolarHBondContact O-N 2.8Å; T1090-R1092 PolarHBondContact O-NE 3.29Å; T1090-R1092 PolarHBondContact O-NH2 3.49Å; T1090-R1092 WeakPolarHBondContact OG1-CG 3.39Å; R1092-D1097 HydrophobicContact CG-CB 4.3Å; R1092-T1098 HydrophobicContact CB-CG2 4.19Å; R1092-T1098 HydrophobicContact CG-CG2 4Å
1093	Y	89.5	Confident	95.3	Very high	172 Å²	172	23.7 Å²	23.7	68%	0.675	11%	0.111	S	C	*	.	S	Bend	trans	-83	-31.3	178.8	-177.1	-97.3	0	0	0	112.7	R891	R891-Y1093 PolarHBondContact NH1-OH 3.45Å
1094	H	91.8	Very high	95.1	Very high	36 Å²	36	24.8 Å²	24.8	17%	0.167	12%	0.115	C	C	.	.	S	Bend	trans	-130.5	134.9	-175.9	-163.6	-41	0	0	0	111	R1096 D1097	H1094-R1096 HydrophobicContact CB-CG 4.21Å; H1094-R1096 PolarHBondContact ND1-N 3.38Å; H1094-R1096 PolarHBondContact O-N 3.33Å; H1094-R1096 VanDerWaalsContact O-N 3.1Å; H1094-D1097 PolarHBondContact O-N 3.08Å
1095	I	94.1	Very high	94.9	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.4	-21.4	-179.9	-160.7	168.4	0	0	0	114.8	R891 R892 L894 E1083 R1084 D1097 T1098	R891-I1095 VanDerWaalsContact O-CB 3.3Å; R891-I1095 WeakPolarHBondContact O-CB 3.44Å; R891-I1095 VanDerWaalsContact O-CG2 3.29Å; R891-I1095 WeakPolarHBondContact O-CG2 3.48Å; R891-I1095 PolarHBondContact O-N 3.14Å; R891-I1095 VanDerWaalsContact O-N 3.12Å; R892-I1095 WeakPolarHBondContact O-CD1 3.29Å; L894-I1095 HydrophobicContact CD1-CD1 4.09Å; L894-I1095 HydrophobicContact CD1-CG1 4.13Å; L894-I1095 HydrophobicContact CD2-CG2 4.15Å; L894-I1095 HydrophobicContact CG-CD1 4.3Å; L894-I1095 HydrophobicContact CG-CG1 4.49Å; L894-I1095 HydrophobicContact CG-CG2 4.11Å; E1083-I1095 HydrophobicContact CB-CD1 3.65Å; E1083-I1095 HydrophobicContact CB-CG1 3.47Å; E1083-I1095 VanDerWaalsContact CB-CG1 3.47Å; E1083-I1095 HydrophobicContact CG-CG1 4.49Å; R1084-I1095 HydrophobicContact CG-CD1 3.73Å; I1095-D1097 PolarHBondContact O-N 3.09Å; I1095-T1098 PolarHBondContact O-N 3.42Å; I1095-T1098 VanDerWaalsContact O-N 3.14Å; I1095-T1098 PolarHBondContact O-OG1 3.11Å
1096	R	94.4	Very high	94.6	Very high	63 Å²	63	31 Å²	31	24%	0.238	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-66.1	-20.3	-179.7	71.7	-172.4	176	-165.6	-3.1	112.8	R795 H1094 T1098 P1102	R795-R1096 VanDerWaalsContact CZ-O 3.3Å; R795-R1096 PolarHBondContact NH1-O 3.07Å; R795-R1096 PolarHBondContact NH2-O 3.39Å; H1094-R1096 HydrophobicContact CB-CG 4.21Å; H1094-R1096 PolarHBondContact ND1-N 3.38Å; H1094-R1096 PolarHBondContact O-N 3.33Å; H1094-R1096 VanDerWaalsContact O-N 3.1Å; R1096-T1098 VanDerWaalsContact C-N 3.3Å; R1096-P1102 HydrophobicContact CB-CB 4.24Å; R1096-P1102 HydrophobicContact CB-CG 4.19Å
1097	D	94.8	Very high	94.4	Very high	47 Å²	47	31.8 Å²	31.8	25%	0.251	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-80.5	-14.4	179.1	-61.2	-22.8	0	0	0	112.2	L804 I807 M808 R1092 H1094 I1095	L804-D1097 HydrophobicContact CD2-CB 4.28Å; I807-D1097 WeakPolarHBondContact CG2-O 3.49Å; M808-D1097 WeakPolarHBondContact CE-O 3.4Å; R1092-D1097 HydrophobicContact CG-CB 4.3Å; H1094-D1097 PolarHBondContact O-N 3.08Å; I1095-D1097 PolarHBondContact O-N 3.09Å
1098	T	96.1	Very high	94.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-102.5	7	-172.4	65.4	0	0	0	0	113.9	I807 R811 E1083 L1086 T1087 R1092 I1095 R1096	I807-T1098 HydrophobicContact CG2-CG2 4.38Å; R811-T1098 PolarHBondContact NH1-O 3.16Å; E1083-T1098 PolarHBondContact O-OG1 3.24Å; L1086-T1098 HydrophobicContact CB-CG2 4.35Å; L1086-T1098 HydrophobicContact CD2-CG2 4.33Å; L1086-T1098 WeakPolarHBondContact CD2-O 3.33Å; L1086-T1098 HydrophobicContact CG-CG2 3.96Å; T1087-T1098 WeakPolarHBondContact OG1-CG2 3.17Å; R1092-T1098 HydrophobicContact CB-CG2 4.19Å; R1092-T1098 HydrophobicContact CG-CG2 4Å; I1095-T1098 PolarHBondContact O-N 3.42Å; I1095-T1098 VanDerWaalsContact O-N 3.14Å; I1095-T1098 PolarHBondContact O-OG1 3.11Å; R1096-T1098 VanDerWaalsContact C-N 3.3Å
1099	I	95.9	Very high	94.1	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.041	16%	0.156	C	C	.	.	S	Bend	trans	-126.9	151.7	178.2	-172.5	164.2	0	0	0	110.9	R795 M808 L894 E1083 P1102	R795-I1099 PolarHBondContact NH2-O 2.93Å; M808-I1099 VanDerWaalsContact CE-O 3.3Å; M808-I1099 WeakPolarHBondContact CE-O 3.34Å; L894-I1099 HydrophobicContact CD1-CD1 4.02Å; L894-I1099 HydrophobicContact CD1-CG2 4.48Å; E1083-I1099 HydrophobicContact CG-CB 4.03Å; E1083-I1099 HydrophobicContact CG-CD1 4.39Å; I1099-P1102 HydrophobicContact CG2-CB 3.59Å; I1099-P1102 HydrophobicContact CG2-CG 4.33Å
1100	L	97.1	Very high	93.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	16%	0.157	C	C	.	.	S	Bend	trans	-62.4	-55.8	-177.5	-174.1	68.7	0	0	0	111.4	P288 R795 L799 M808	P288-L1100 HydrophobicContact CB-CD2 4.46Å; R795-L1100 VanDerWaalsContact CD-O 3.26Å; R795-L1100 WeakPolarHBondContact CD-O 3.22Å; R795-L1100 PolarHBondContact NE-O 2.9Å; L799-L1100 HydrophobicContact CD1-CD1 3.6Å; L799-L1100 HydrophobicContact CD1-CG 4.41Å; L799-L1100 HydrophobicContact CD2-CD1 3.93Å; L799-L1100 HydrophobicContact CG-CD1 4.45Å; M808-L1100 HydrophobicContact SD-CD1 4.46Å
1101	Y	97.5	Very high	93.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	17%	0.165	C	C	.	.	S	Bend	trans	-137.7	102.2	177	-64.6	-62.1	0	0	0	109	P289 Y321 T324 R795 L799 R1103 P1110	P289-Y1101 HydrophobicContact CG-CD2 4.36Å; Y321-Y1101 AromaticContact CD1-CD2 3.46Å; Y321-Y1101 HydrophobicContact CD1-CD2 3.46Å; Y321-Y1101 VanDerWaalsContact CD1-CD2 3.46Å; Y321-Y1101 AromaticContact CD1-CE2 3.46Å; Y321-Y1101 HydrophobicContact CD1-CE2 3.46Å; Y321-Y1101 VanDerWaalsContact CD1-CE2 3.46Å; Y321-Y1101 HydrophobicContact CD1-CG 4.44Å; Y321-Y1101 AromaticContact CE1-CD2 3.91Å; Y321-Y1101 HydrophobicContact CE1-CD2 3.91Å; Y321-Y1101 HydrophobicContact CE1-CE2 4.21Å; Y321-Y1101 HydrophobicContact CG-CD2 4.35Å; Y321-Y1101 HydrophobicContact CG-CE2 4.33Å; T324-Y1101 VanDerWaalsContact CB-OH 3.29Å; T324-Y1101 WeakPolarHBondContact CB-OH 3.49Å; T324-Y1101 PolarHBondContact OG1-OH 2.84Å; R795-Y1101 HydrophobicContact CB-CD1 4.19Å; R795-Y1101 HydrophobicContact CB-CE1 4.02Å; R795-Y1101 HydrophobicContact CG-CD1 4.03Å; R795-Y1101 HydrophobicContact CG-CE1 4Å; L799-Y1101 HydrophobicContact CD1-CE1 3.96Å; Y1101-R1103 PolarHBondContact O-NH1 3.36Å; Y1101-P1110 HydrophobicContact CD1-CB 3.7Å; Y1101-P1110 WeakPolarHBondContact CD1-OXT 3.41Å; Y1101-P1110 HydrophobicContact CE1-CB 3.68Å; Y1101-P1110 HydrophobicContact CG-CB 4.27Å
1102	P	96.7	Very high	93.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.152	C	C	.	.			trans	-67.6	147.3	-172.6	27.1	-33.9	0	0	0	112.1	L792 L894 R1096 I1099 F1104	L792-P1102 HydrophobicContact CD2-CG 3.64Å; L894-P1102 HydrophobicContact CD2-CB 4.01Å; R1096-P1102 HydrophobicContact CB-CB 4.24Å; R1096-P1102 HydrophobicContact CB-CG 4.19Å; I1099-P1102 HydrophobicContact CG2-CB 3.59Å; I1099-P1102 HydrophobicContact CG2-CG 4.33Å; P1102-F1104 HydrophobicContact CB-CD1 4.15Å; P1102-F1104 HydrophobicContact CB-CE1 4.05Å; P1102-F1104 HydrophobicContact CG-CE1 4.11Å
1103	R	96	Very high	93.8	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	15%	0.147	C	C	.	.			trans	-116.8	128.1	170.1	-63.5	-67.8	176	-95.9	8.2	109.6	P289 M291 Y321 L894 S895 E896 Y1101 C1108 T1109	P289-R1103 VanDerWaalsContact CG-NH2 3.27Å; M291-R1103 HydrophobicContact CE-CB 3.59Å; M291-R1103 HydrophobicContact CE-CG 3.7Å; M291-R1103 PolarHBondContact O-NE 3.48Å; M291-R1103 PolarHBondContact O-NH2 3.04Å; M291-R1103 VanDerWaalsContact O-NH2 3.14Å; Y321-R1103 PolarHBondContact OH-NH2 2.8Å; L894-R1103 CarbonylContact C-O 3.57Å; L894-R1103 WeakPolarHBondContact CA-O 3.3Å; S895-R1103 PolarHBondContact N-O 2.94Å; E896-R1103 HydrophobicContact CB-CB 4.04Å; E896-R1103 HydrophobicContact CB-CG 4.2Å; E896-R1103 WeakPolarHBondContact OE2-CG 3.4Å; Y1101-R1103 PolarHBondContact O-NH1 3.36Å; R1103-C1108 PolarHBondContact NH2-O 2.59Å; R1103-T1109 PolarHBondContact NH1-O 3.28Å
1104	F	93.9	Very high	94.1	Very high	23 Å²	23	24.1 Å²	24.1	10%	0.101	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-156.3	173.4	173.1	50.8	-97.7	0	0	0	109.2	Y307 L792 R889 S895 P1102 E1106 R1107	Y307-F1104 VanDerWaalsContact OH-C 3.28Å; Y307-F1104 PolarHBondContact OH-N 3.48Å; Y307-F1104 VanDerWaalsContact OH-N 3.07Å; Y307-F1104 PolarHBondContact OH-O 3.23Å; L792-F1104 HydrophobicContact CD1-CE1 4.09Å; L792-F1104 HydrophobicContact CD1-CZ 3.7Å; R889-F1104 HydrophobicContact CG-CD2 4.39Å; S895-F1104 VanDerWaalsContact OG-CA 3.29Å; S895-F1104 WeakPolarHBondContact OG-CA 2.81Å; P1102-F1104 HydrophobicContact CB-CD1 4.15Å; P1102-F1104 HydrophobicContact CB-CE1 4.05Å; P1102-F1104 HydrophobicContact CG-CE1 4.11Å; F1104-E1106 PolarHBondContact O-N 3.39Å; F1104-R1107 HydrophobicContact CD2-CB 3.94Å; F1104-R1107 HydrophobicContact CE1-CB 4.26Å; F1104-R1107 HydrophobicContact CE1-CG 4.42Å; F1104-R1107 HydrophobicContact CE2-CB 3.62Å; F1104-R1107 HydrophobicContact CG-CB 4.38Å; F1104-R1107 HydrophobicContact CZ-CB 3.81Å; F1104-R1107 HydrophobicContact CZ-CG 4.2Å; F1104-R1107 PolarHBondContact N-O 3.5Å; F1104-R1107 PolarHBondContact O-N 3.45Å; F1104-R1107 VanDerWaalsContact O-O 3.14Å
1105	V	92.2	Very high	94.2	Very high	25 Å²	25	23.3 Å²	23.3	15%	0.152	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	130.4	179.1	77.9	0	0	0	0	111.5	Y308 R889 R1107	Y308-V1105 HydrophobicContact CD1-CB 4.38Å; Y308-V1105 HydrophobicContact CD1-CG2 3.61Å; Y308-V1105 HydrophobicContact CD2-CB 4.35Å; Y308-V1105 HydrophobicContact CD2-CG2 4.1Å; Y308-V1105 HydrophobicContact CE1-CB 4.22Å; Y308-V1105 HydrophobicContact CE1-CG2 3.88Å; Y308-V1105 HydrophobicContact CE2-CB 4.22Å; Y308-V1105 HydrophobicContact CE2-CG2 4.36Å; Y308-V1105 HydrophobicContact CG-CB 4.42Å; Y308-V1105 HydrophobicContact CG-CG2 3.7Å; R889-V1105 HydrophobicContact CG-CG1 3.57Å; R889-V1105 PolarHBondContact NE-O 3.19Å; R889-V1105 VanDerWaalsContact NE-O 3.11Å; R889-V1105 PolarHBondContact NH2-O 3.42Å; V1105-R1107 VanDerWaalsContact C-N 3.3Å; V1105-R1107 PolarHBondContact O-N 2.94Å
1106	E	88.7	Confident	94.2	Very high	133 Å²	133	24.5 Å²	24.5	62%	0.621	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	19.4	-173.5	-24.7	163.1	158	0	0	115.8	R889 F1104	R889-E1106 IonicContact CZ-OE2 2.78Å; R889-E1106 VanDerWaalsContact CZ-OE2 3.29Å; R889-E1106 IonicContact NH1-OE2 3.94Å; R889-E1106 VanDerWaalsContact NH2-CB 3.32Å; R889-E1106 IonicContact NH2-OE2 3.61Å; R889-E1106 PolarHBondContact NH2-OE2 3.13Å; F1104-E1106 PolarHBondContact O-N 3.39Å
1107	R	92.6	Very high	94.2	Very high	16 Å²	16	21.8 Å²	21.8	6%	0.06	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-139.7	107.8	170	-178.8	161.5	-67.1	-85.5	-5.5	112.9	Y307 D789 D793 F1104 V1105 P1110	Y307-R1107 WeakPolarHBondContact CE1-O 3.48Å; Y307-R1107 PolarHBondContact OH-O 2.77Å; D789-R1107 PolarHBondContact O-NH2 3.38Å; D793-R1107 IonicContact OD1-CZ 2.8Å; D793-R1107 VanDerWaalsContact OD1-CZ 3.22Å; D793-R1107 IonicContact OD1-NH1 2.94Å; D793-R1107 PolarHBondContact OD1-NH1 3.2Å; D793-R1107 IonicContact OD1-NH2 3.55Å; D793-R1107 PolarHBondContact OD1-NH2 3Å; F1104-R1107 HydrophobicContact CD2-CB 3.94Å; F1104-R1107 HydrophobicContact CE1-CB 4.26Å; F1104-R1107 HydrophobicContact CE1-CG 4.42Å; F1104-R1107 HydrophobicContact CE2-CB 3.62Å; F1104-R1107 HydrophobicContact CG-CB 4.38Å; F1104-R1107 HydrophobicContact CZ-CB 3.81Å; F1104-R1107 HydrophobicContact CZ-CG 4.2Å; F1104-R1107 PolarHBondContact N-O 3.5Å; F1104-R1107 PolarHBondContact O-N 3.45Å; F1104-R1107 VanDerWaalsContact O-O 3.14Å; V1105-R1107 VanDerWaalsContact C-N 3.3Å; V1105-R1107 PolarHBondContact O-N 2.94Å; R1107-P1110 PolarHBondContact NH1-O 2.79Å
1108	C	93.5	Very high	94.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	10%	0.1	C	C	.	.			trans	-125.7	3.5	173.1	-144.1	0	0	0	0	114.3	Q293 Y307 R1103	Q293-C1108 HydrophobicContact CG-CB 4.16Å; Y307-C1108 HydrophobicContact CD1-CB 3.56Å; Y307-C1108 HydrophobicContact CE1-CB 3.52Å; Y307-C1108 HydrophobicContact CG-CB 4.29Å; R1103-C1108 PolarHBondContact NH2-O 2.59Å
1109	T	92.4	Very high	94	Very high	43 Å²	43	21.5 Å²	21.5	26%	0.264	11%	0.108	S	C	.	.			trans	-91	167.2	174.1	57.7	0	0	0	0	111	R1103	R1103-T1109 PolarHBondContact NH1-O 3.28Å
1110	P	91.3	Very high	93.8	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.026	11%	0.114	C	C	.	.			trans	-48.1	0	164.5	-21.1	29.7	0	0	0	113	Y321 W519 L792 Y1101 R1107	Y321-P1110 HydrophobicContact CE1-CG 3.94Å; W519-P1110 HydrophobicContact CB-CG 4.37Å; W519-P1110 HydrophobicContact CD2-CG 3.61Å; W519-P1110 HydrophobicContact CE3-CG 4.36Å; W519-P1110 HydrophobicContact CG-CB 4.28Å; W519-P1110 HydrophobicContact CG-CG 3.58Å; W519-P1110 HydrophobicContact CZ2-CG 4.19Å; L792-P1110 CarbonylContact O-C 3.5Å; Y1101-P1110 HydrophobicContact CD1-CB 3.7Å; Y1101-P1110 WeakPolarHBondContact CD1-OXT 3.41Å; Y1101-P1110 HydrophobicContact CE1-CB 3.68Å; Y1101-P1110 HydrophobicContact CG-CB 4.27Å; R1107-P1110 PolarHBondContact NH1-O 2.79Å

Retrieved 1,110 of 1,110 residues in 1292.4 ms (Link to these results)

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