A0A087XH57_POEFO Loading...

Fas (TNFRSF6) associated factor 1

AlphaFold DB , UniProt , Accession A0A087XH57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 680 aa.

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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	43.8	Very low	55.2	Low	245 Å²	245	108.1 Å²	108.1	100%	1.207	63%	0.633	S	S	*	*				0	82.4	0	-69.9	167.6	167.6	0	0	107.5
2	A	42.8	Very low	57.9	Low	95 Å²	95	108.4 Å²	108.4	79%	0.785	62%	0.615	S	S	*	*			trans	-161	32.2	-177	0	0	0	0	0	110.8
3	S	45.1	Very low	60.2	Low	102 Å²	102	109 Å²	109	71%	0.713	61%	0.61	S	S	*	*	S	Bend	trans	-138.4	-4.4	-169.9	53.2	0	0	0	0	113.1
4	D	45.5	Very low	62.2	Low	135 Å²	135	109.9 Å²	109.9	72%	0.722	61%	0.609	S	S	*	*	S	Bend	trans	-99.6	-18.4	-171.8	-149.2	39.4	0	0	0	111.4	G6 S8	D4-G6 VanDerWaalsContact C-N 3.34Å; D4-S8 PolarHBondContact O-OG 3.13Å
5	S	49.3	Very low	64.1	Low	88 Å²	88	105.5 Å²	105.5	62%	0.615	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	10.4	180	60.6	0	0	0	0	113.7	S8	S5-S8 WeakPolarHBondContact CA-OG 3.5Å
6	G	49.9	Very low	65.8	Low	33 Å²	33	100.4 Å²	100.4	34%	0.34	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.4	-55.9	178.5	0	0	0	0	0	111.8	D4 N9 M10	D4-G6 VanDerWaalsContact C-N 3.34Å; G6-N9 PolarHBondContact O-N 3.33Å; G6-N9 VanDerWaalsContact O-N 3.16Å; G6-M10 PolarHBondContact O-N 2.65Å; G6-M10 VanDerWaalsContact O-N 3.12Å
7	E	53.5	Low	67.3	Low	134 Å²	134	97.7 Å²	97.7	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-60	-49.3	177.8	-63.6	176.9	144.1	0	0	110.5	N9 M10 D11	E7-N9 PolarHBondContact O-N 2.92Å; E7-M10 PolarHBondContact O-N 3.17Å; E7-D11 PolarHBondContact O-N 3.23Å
8	S	62.1	Low	68.5	Low	58 Å²	58	96 Å²	96	41%	0.406	54%	0.538	S	S	.	.	H	α-helix	trans	-62.6	-10.5	176.3	54.5	0	0	0	0	115.8	D4 S5 R12	D4-S8 PolarHBondContact O-OG 3.13Å; S5-S8 WeakPolarHBondContact CA-OG 3.5Å; S8-R12 WeakPolarHBondContact O-CD 3.29Å; S8-R12 WeakPolarHBondContact O-CG 3.36Å
9	N	65.6	Low	69.8	Low	82 Å²	82	90.9 Å²	90.9	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-96.6	-37.4	170.9	-147.4	81.3	0	0	0	111.9	G6 E7 R12 E13	G6-N9 PolarHBondContact O-N 3.33Å; G6-N9 VanDerWaalsContact O-N 3.16Å; E7-N9 PolarHBondContact O-N 2.92Å; N9-R12 WeakPolarHBondContact O-CB 3.48Å; N9-R12 PolarHBondContact O-N 3.07Å; N9-E13 PolarHBondContact ND2-OE1 3.01Å; N9-E13 WeakPolarHBondContact O-CG 3.46Å; N9-E13 PolarHBondContact O-N 2.87Å
10	M	68.1	Low	70.9	Confident	120 Å²	120	88.6 Å²	88.6	59%	0.591	49%	0.494	S	S	*	.	H	α-helix	trans	-64.4	-39.4	171.7	-78.1	-179.7	-75.3	0	0	112.1	G6 E7 R12 E13 M14	G6-M10 PolarHBondContact O-N 2.65Å; G6-M10 VanDerWaalsContact O-N 3.12Å; E7-M10 PolarHBondContact O-N 3.17Å; M10-R12 PolarHBondContact O-N 2.83Å; M10-E13 PolarHBondContact O-N 2.74Å; M10-M14 PolarHBondContact O-N 3.34Å
11	D	81.5	Confident	71.7	Confident	97 Å²	97	88.4 Å²	88.4	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-58.7	-39	173.5	-69.4	-24.9	0	0	0	111.4	E7 M14 I15	E7-D11 PolarHBondContact O-N 3.23Å; D11-M14 PolarHBondContact O-N 2.71Å; D11-I15 WeakPolarHBondContact O-CB 3.34Å; D11-I15 WeakPolarHBondContact O-CD1 3.41Å; D11-I15 WeakPolarHBondContact O-CG1 3.5Å; D11-I15 PolarHBondContact O-N 2.87Å
12	R	87.8	Confident	73.7	Confident	112 Å²	112	80.1 Å²	80.1	42%	0.423	47%	0.47	S	S	.	.	H	α-helix	trans	-71	-40.9	177.1	-73.4	178.7	174.5	-153.6	-6	112.7	S8 N9 M10 M14 I15 L16 W40	S8-R12 WeakPolarHBondContact O-CD 3.29Å; S8-R12 WeakPolarHBondContact O-CG 3.36Å; N9-R12 WeakPolarHBondContact O-CB 3.48Å; N9-R12 PolarHBondContact O-N 3.07Å; M10-R12 PolarHBondContact O-N 2.83Å; R12-M14 VanDerWaalsContact C-N 3.29Å; R12-M14 PolarHBondContact O-N 3.31Å; R12-I15 PolarHBondContact O-N 3.08Å; R12-L16 VanDerWaalsContact O-CB 3.23Å; R12-L16 WeakPolarHBondContact O-CB 3.42Å; R12-L16 PolarHBondContact O-N 2.99Å; R12-W40 HydrophobicContact CB-CE3 3.93Å; R12-W40 HydrophobicContact CB-CH2 3.96Å; R12-W40 HydrophobicContact CB-CZ3 3.6Å; R12-W40 HydrophobicContact CG-CD2 3.94Å; R12-W40 HydrophobicContact CG-CE3 3.74Å; R12-W40 HydrophobicContact CG-CH2 4.22Å; R12-W40 HydrophobicContact CG-CZ2 4.4Å; R12-W40 HydrophobicContact CG-CZ3 3.89Å; R12-W40 WeakPolarHBondContact O-CZ3 3.47Å
13	E	87.6	Confident	75.7	Confident	116 Å²	116	76.8 Å²	76.8	54%	0.542	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-37.1	174.6	-73.4	168.2	-148.3	0	0	111.3	N9 M10 A17	N9-E13 PolarHBondContact ND2-OE1 3.01Å; N9-E13 WeakPolarHBondContact O-CG 3.46Å; N9-E13 PolarHBondContact O-N 2.87Å; M10-E13 PolarHBondContact O-N 2.74Å; E13-A17 PolarHBondContact O-N 3.26Å; E13-A17 VanDerWaalsContact O-N 3.12Å
14	M	88.5	Confident	77.7	Confident	121 Å²	121	74.6 Å²	74.6	60%	0.596	43%	0.433	S	S	*	.	H	α-helix	trans	-68.3	-50.2	173.1	-178.5	167.8	175.1	0	0	112.5	M10 D11 R12 L16 A17 D18	M10-M14 PolarHBondContact O-N 3.34Å; D11-M14 PolarHBondContact O-N 2.71Å; R12-M14 VanDerWaalsContact C-N 3.29Å; R12-M14 PolarHBondContact O-N 3.31Å; M14-L16 PolarHBondContact O-N 2.82Å; M14-A17 PolarHBondContact O-N 3.09Å; M14-A17 VanDerWaalsContact O-N 3.12Å; M14-D18 PolarHBondContact O-N 2.74Å
15	I	90.4	Very high	79.7	Confident	44 Å²	44	69.5 Å²	69.5	23%	0.226	41%	0.406	C	S	.	.	H	α-helix	trans	-58.1	-38.2	177.1	-72.2	164.3	0	0	0	111.3	D11 R12 F19 L35 W40 L42	D11-I15 WeakPolarHBondContact O-CB 3.34Å; D11-I15 WeakPolarHBondContact O-CD1 3.41Å; D11-I15 WeakPolarHBondContact O-CG1 3.5Å; D11-I15 PolarHBondContact O-N 2.87Å; R12-I15 PolarHBondContact O-N 3.08Å; I15-F19 WeakPolarHBondContact O-CB 3.36Å; I15-F19 PolarHBondContact O-N 2.98Å; I15-L35 HydrophobicContact CG2-CD1 4.16Å; I15-L35 HydrophobicContact CG2-CD2 3.71Å; I15-W40 HydrophobicContact CB-CE3 4.41Å; I15-W40 HydrophobicContact CG2-CE3 4.02Å; I15-L42 HydrophobicContact CG2-CB 4.28Å; I15-L42 HydrophobicContact CG2-CD1 4.43Å
16	L	91.8	Very high	81.3	Confident	25 Å²	25	72.6 Å²	72.6	13%	0.131	42%	0.415	C	S	.	.	H	α-helix	trans	-64.2	-46.3	175.4	179.5	61.8	0	0	0	111.9	R12 M14 F19 Q20 I28 A31 I32 L35 W40	R12-L16 VanDerWaalsContact O-CB 3.23Å; R12-L16 WeakPolarHBondContact O-CB 3.42Å; R12-L16 PolarHBondContact O-N 2.99Å; M14-L16 PolarHBondContact O-N 2.82Å; L16-F19 PolarHBondContact O-N 3.41Å; L16-Q20 HydrophobicContact CD1-CG 4.3Å; L16-Q20 WeakPolarHBondContact O-CG 3.37Å; L16-Q20 PolarHBondContact O-N 2.95Å; L16-I28 HydrophobicContact CD2-CG2 4.29Å; L16-A31 HydrophobicContact CD1-CB 3.74Å; L16-I32 HydrophobicContact CD1-CG1 3.84Å; L16-I32 HydrophobicContact CD2-CD1 4.14Å; L16-I32 HydrophobicContact CD2-CG1 3.95Å; L16-L35 HydrophobicContact CB-CD1 4.28Å; L16-L35 HydrophobicContact CD1-CD1 3.91Å; L16-W40 HydrophobicContact CB-CZ3 4.43Å
17	A	90.2	Very high	83.2	Confident	54 Å²	54	74.8 Å²	74.8	45%	0.446	42%	0.419	S	S	.	.	H	α-helix	trans	-62.1	-46.5	177.7	0	0	0	0	0	112.2	E13 M14 F19 Q20 A21	E13-A17 PolarHBondContact O-N 3.26Å; E13-A17 VanDerWaalsContact O-N 3.12Å; M14-A17 PolarHBondContact O-N 3.09Å; M14-A17 VanDerWaalsContact O-N 3.12Å; A17-F19 VanDerWaalsContact C-N 3.34Å; A17-F19 PolarHBondContact O-N 3Å; A17-Q20 PolarHBondContact O-N 3.34Å; A17-A21 WeakPolarHBondContact O-CB 3.43Å; A17-A21 PolarHBondContact O-N 2.88Å
18	D	89.9	Confident	84.9	Confident	67 Å²	67	73.1 Å²	73.1	36%	0.358	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-38	177.6	-72.9	-21.3	0	0	0	111.7	M14 A21 C22 L42	M14-D18 PolarHBondContact O-N 2.74Å; D18-A21 PolarHBondContact O-N 3.16Å; D18-C22 WeakPolarHBondContact O-CB 3.3Å; D18-C22 PolarHBondContact O-N 2.8Å; D18-C22 PolarHBondContact O-SG 3.11Å; D18-L42 HydrophobicContact CB-CD1 4.31Å; D18-L42 HydrophobicContact CB-CD2 3.92Å
19	F	92.4	Very high	86.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-65.4	-46.8	176.1	178.1	-93.2	0	0	0	112.2	I15 L16 A17 A21 C22 T23 I25 A31 L34 L35 L42 A45 I46 V49	I15-F19 WeakPolarHBondContact O-CB 3.36Å; I15-F19 PolarHBondContact O-N 2.98Å; L16-F19 PolarHBondContact O-N 3.41Å; A17-F19 VanDerWaalsContact C-N 3.34Å; A17-F19 PolarHBondContact O-N 3Å; F19-A21 VanDerWaalsContact C-N 3.33Å; F19-A21 PolarHBondContact O-N 3.45Å; F19-C22 PolarHBondContact O-N 3.27Å; F19-T23 HydrophobicContact CD2-CG2 4.11Å; F19-T23 HydrophobicContact CE1-CG2 4.23Å; F19-T23 HydrophobicContact CE2-CG2 3.77Å; F19-T23 HydrophobicContact CG-CG2 4.49Å; F19-T23 HydrophobicContact CZ-CG2 3.88Å; F19-T23 WeakPolarHBondContact O-CB 3.17Å; F19-T23 WeakPolarHBondContact O-CG2 3.32Å; F19-T23 PolarHBondContact O-N 2.9Å; F19-T23 PolarHBondContact O-OG1 3.34Å; F19-I25 HydrophobicContact CE1-CD1 4.35Å; F19-A31 HydrophobicContact CD1-CB 3.85Å; F19-A31 HydrophobicContact CE1-CB 3.82Å; F19-L34 HydrophobicContact CE1-CB 4.33Å; F19-L34 HydrophobicContact CE1-CD1 4.47Å; F19-L34 HydrophobicContact CZ-CB 3.82Å; F19-L34 HydrophobicContact CZ-CD1 4.19Å; F19-L35 HydrophobicContact CB-CD1 3.92Å; F19-L35 HydrophobicContact CB-CD2 4.15Å; F19-L35 HydrophobicContact CB-CG 4.3Å; F19-L35 HydrophobicContact CD1-CD1 4.2Å; F19-L35 HydrophobicContact CD1-CG 4.26Å; F19-L35 HydrophobicContact CD2-CD2 3.85Å; F19-L35 HydrophobicContact CD2-CG 4.12Å; F19-L35 HydrophobicContact CE2-CD2 4.47Å; F19-L35 HydrophobicContact CG-CD1 4Å; F19-L35 HydrophobicContact CG-CD2 4.01Å; F19-L35 HydrophobicContact CG-CG 3.95Å; F19-L42 HydrophobicContact CB-CD1 3.63Å; F19-L42 HydrophobicContact CD2-CD1 4.27Å; F19-L42 HydrophobicContact CG-CD1 4.47Å; F19-A45 HydrophobicContact CD2-CB 3.81Å; F19-A45 HydrophobicContact CE2-CB 3.47Å; F19-A45 VanDerWaalsContact CE2-CB 3.47Å; F19-A45 HydrophobicContact CZ-CB 4.47Å; F19-I46 HydrophobicContact CD2-CG1 3.99Å; F19-I46 HydrophobicContact CE2-CG1 4.43Å; F19-V49 HydrophobicContact CE2-CG2 4.32Å; F19-V49 HydrophobicContact CZ-CG2 3.88Å
20	Q	92.3	Very high	87.2	Confident	43 Å²	43	74 Å²	74	20%	0.201	42%	0.42	C	S	.	.	H	α-helix	trans	-63.7	-40.4	176.9	-68.4	-168.2	-90.1	0	0	111	L16 A17 C22 G24 I25 D26 A31	L16-Q20 HydrophobicContact CD1-CG 4.3Å; L16-Q20 WeakPolarHBondContact O-CG 3.37Å; L16-Q20 PolarHBondContact O-N 2.95Å; A17-Q20 PolarHBondContact O-N 3.34Å; Q20-C22 PolarHBondContact O-N 3.4Å; Q20-G24 WeakPolarHBondContact O-CA 3.46Å; Q20-G24 PolarHBondContact O-N 2.73Å; Q20-I25 WeakPolarHBondContact CG-O 3.45Å; Q20-I25 PolarHBondContact NE2-O 3.41Å; Q20-D26 PolarHBondContact NE2-O 2.6Å; Q20-A31 HydrophobicContact CG-CB 3.8Å
21	A	87.7	Confident	88.3	Confident	86 Å²	86	68.3 Å²	68.3	71%	0.711	39%	0.392	S	S	*	.	H	α-helix	trans	-64.1	-35.9	176.2	0	0	0	0	0	113.5	A17 D18 F19	A17-A21 WeakPolarHBondContact O-CB 3.43Å; A17-A21 PolarHBondContact O-N 2.88Å; D18-A21 PolarHBondContact O-N 3.16Å; F19-A21 VanDerWaalsContact C-N 3.33Å; F19-A21 PolarHBondContact O-N 3.45Å
22	C	85.6	Confident	88.7	Confident	70 Å²	70	66.2 Å²	66.2	47%	0.473	38%	0.38	S	S	.	.	H	α-helix	trans	-80	-33.5	178.2	-67.6	0	0	0	0	113.8	D18 F19 Q20 I46 I50	D18-C22 WeakPolarHBondContact O-CB 3.3Å; D18-C22 PolarHBondContact O-N 2.8Å; D18-C22 PolarHBondContact O-SG 3.11Å; F19-C22 PolarHBondContact O-N 3.27Å; Q20-C22 PolarHBondContact O-N 3.4Å; C22-I46 HydrophobicContact CB-CD1 3.54Å; C22-I46 HydrophobicContact CB-CG1 4Å; C22-I50 WeakPolarHBondContact O-CD1 3.22Å
23	T	86.1	Confident	88.8	Confident	26 Å²	26	64.7 Å²	64.7	16%	0.16	38%	0.383	C	S	.	.	H	α-helix	trans	-98.9	-20.3	-173.1	58.5	0	0	0	0	114.7	F19 I25 I46 V49 I50	F19-T23 HydrophobicContact CD2-CG2 4.11Å; F19-T23 HydrophobicContact CE1-CG2 4.23Å; F19-T23 HydrophobicContact CE2-CG2 3.77Å; F19-T23 HydrophobicContact CG-CG2 4.49Å; F19-T23 HydrophobicContact CZ-CG2 3.88Å; F19-T23 WeakPolarHBondContact O-CB 3.17Å; F19-T23 WeakPolarHBondContact O-CG2 3.32Å; F19-T23 PolarHBondContact O-N 2.9Å; F19-T23 PolarHBondContact O-OG1 3.34Å; T23-I25 VanDerWaalsContact C-N 3.27Å; T23-I25 PolarHBondContact O-N 2.93Å; T23-I25 PolarHBondContact OG1-N 3.09Å; T23-I46 HydrophobicContact CG2-CG1 4.21Å; T23-V49 HydrophobicContact CG2-CB 3.99Å; T23-V49 HydrophobicContact CG2-CG1 3.78Å; T23-I50 HydrophobicContact CG2-CG1 4.47Å
24	G	85.6	Confident	88.9	Confident	56 Å²	56	61.3 Å²	61.3	58%	0.577	37%	0.369	S	S	*	.			trans	72.7	14.3	-173.1	0	0	0	0	0	114.4	Q20 D26	Q20-G24 WeakPolarHBondContact O-CA 3.46Å; Q20-G24 PolarHBondContact O-N 2.73Å; G24-D26 PolarHBondContact O-N 3.06Å
25	I	87.1	Confident	89	Confident	28 Å²	28	55.6 Å²	55.6	14%	0.144	34%	0.34	C	S	.	.			trans	-81	94.3	176.4	-61.7	179.5	0	0	0	109.3	F19 Q20 T23 N27 E30 A31 L34 V49	F19-I25 HydrophobicContact CE1-CD1 4.35Å; Q20-I25 WeakPolarHBondContact CG-O 3.45Å; Q20-I25 PolarHBondContact NE2-O 3.41Å; T23-I25 VanDerWaalsContact C-N 3.27Å; T23-I25 PolarHBondContact O-N 2.93Å; T23-I25 PolarHBondContact OG1-N 3.09Å; I25-N27 HydrophobicContact CG2-CB 4.19Å; I25-N27 PolarHBondContact O-N 2.82Å; I25-E30 HydrophobicContact CG2-CB 4.33Å; I25-E30 HydrophobicContact CG2-CG 4.22Å; I25-A31 HydrophobicContact CG2-CB 4.27Å; I25-L34 HydrophobicContact CD1-CD1 3.53Å; I25-V49 HydrophobicContact CD1-CG1 3.79Å; I25-V49 HydrophobicContact CD1-CG2 4.33Å
26	D	83	Confident	89	Confident	152 Å²	152	58.6 Å²	58.6	81%	0.813	35%	0.354	S	S	*	.			trans	-61.8	-23.6	174.3	-68.6	-35	0	0	0	113.2	Q20 G24 I28	Q20-D26 PolarHBondContact NE2-O 2.6Å; G24-D26 PolarHBondContact O-N 3.06Å; D26-I28 PolarHBondContact O-N 2.9Å; D26-I28 VanDerWaalsContact O-N 3.09Å
27	N	90.5	Very high	88.8	Confident	80 Å²	80	64.1 Å²	64.1	43%	0.428	38%	0.383	S	S	.	.			trans	-78	94	-177	-176.4	7.9	0	0	0	112	I25 A29 E30 A31	I25-N27 HydrophobicContact CG2-CB 4.19Å; I25-N27 PolarHBondContact O-N 2.82Å; N27-A29 PolarHBondContact O-N 2.76Å; N27-A29 VanDerWaalsContact O-N 3.14Å; N27-A29 PolarHBondContact OD1-N 2.78Å; N27-E30 HydrophobicContact CB-CB 3.97Å; N27-E30 VanDerWaalsContact ND2-CB 3.31Å; N27-E30 WeakPolarHBondContact ND2-CB 3.32Å; N27-E30 PolarHBondContact ND2-OE2 3Å; N27-E30 WeakPolarHBondContact O-CB 3.37Å; N27-E30 PolarHBondContact O-N 3.26Å; N27-A31 PolarHBondContact O-N 2.78Å
28	I	88.4	Confident	88.8	Confident	98 Å²	98	63.6 Å²	63.6	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-48.8	-41.2	179.9	-64.8	169.1	0	0	0	112.9	L16 D26 I32	L16-I28 HydrophobicContact CD2-CG2 4.29Å; D26-I28 PolarHBondContact O-N 2.9Å; D26-I28 VanDerWaalsContact O-N 3.09Å; I28-I32 HydrophobicContact CG2-CD1 3.84Å; I28-I32 HydrophobicContact CG2-CG1 4.5Å; I28-I32 VanDerWaalsContact O-CG1 3.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.46Å; I28-I32 PolarHBondContact O-N 3.04Å
29	A	87.9	Confident	88.8	Confident	65 Å²	65	67.4 Å²	67.4	54%	0.537	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-38.5	-177.5	0	0	0	0	0	112.4	N27 T33	N27-A29 PolarHBondContact O-N 2.76Å; N27-A29 VanDerWaalsContact O-N 3.14Å; N27-A29 PolarHBondContact OD1-N 2.78Å; A29-T33 WeakPolarHBondContact O-CG2 3.37Å; A29-T33 PolarHBondContact O-N 3.23Å; A29-T33 VanDerWaalsContact O-N 3.15Å; A29-T33 PolarHBondContact O-OG1 2.98Å
30	E	88.9	Confident	88.6	Confident	94 Å²	94	69.3 Å²	69.3	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-72.1	-42.7	177.9	179.2	170.1	-168.5	0	0	110.8	I25 N27 I32 T33 L34	I25-E30 HydrophobicContact CG2-CB 4.33Å; I25-E30 HydrophobicContact CG2-CG 4.22Å; N27-E30 HydrophobicContact CB-CB 3.97Å; N27-E30 VanDerWaalsContact ND2-CB 3.31Å; N27-E30 WeakPolarHBondContact ND2-CB 3.32Å; N27-E30 PolarHBondContact ND2-OE2 3Å; N27-E30 WeakPolarHBondContact O-CB 3.37Å; N27-E30 PolarHBondContact O-N 3.26Å; E30-I32 PolarHBondContact O-N 3.26Å; E30-T33 WeakPolarHBondContact CA-OG1 3.46Å; E30-T33 PolarHBondContact O-N 3Å; E30-T33 PolarHBondContact O-OG1 2.79Å; E30-L34 HydrophobicContact CG-CD1 4.11Å; E30-L34 WeakPolarHBondContact O-CG 3.38Å; E30-L34 PolarHBondContact O-N 2.9Å
31	A	90.3	Very high	88.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-57.4	-44.5	172.8	0	0	0	0	0	112.6	L16 F19 Q20 I25 N27 L34 L35	L16-A31 HydrophobicContact CD1-CB 3.74Å; F19-A31 HydrophobicContact CD1-CB 3.85Å; F19-A31 HydrophobicContact CE1-CB 3.82Å; Q20-A31 HydrophobicContact CG-CB 3.8Å; I25-A31 HydrophobicContact CG2-CB 4.27Å; N27-A31 PolarHBondContact O-N 2.78Å; A31-L34 PolarHBondContact O-N 2.74Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 2.79Å
32	I	90.8	Very high	88.3	Confident	53 Å²	53	69.2 Å²	69.2	27%	0.272	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-46.4	174.5	-69.8	167.3	0	0	0	110.9	L16 I28 E30 L34 L35 E36 W40	L16-I32 HydrophobicContact CD1-CG1 3.84Å; L16-I32 HydrophobicContact CD2-CD1 4.14Å; L16-I32 HydrophobicContact CD2-CG1 3.95Å; I28-I32 HydrophobicContact CG2-CD1 3.84Å; I28-I32 HydrophobicContact CG2-CG1 4.5Å; I28-I32 VanDerWaalsContact O-CG1 3.27Å; I28-I32 WeakPolarHBondContact O-CG1 3.46Å; I28-I32 PolarHBondContact O-N 3.04Å; E30-I32 PolarHBondContact O-N 3.26Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 2.65Å; I32-L35 PolarHBondContact O-N 2.76Å; I32-E36 HydrophobicContact CG2-CG 4.25Å; I32-E36 WeakPolarHBondContact O-CB 3.47Å; I32-E36 WeakPolarHBondContact O-CG 3.36Å; I32-E36 PolarHBondContact O-N 2.99Å; I32-W40 HydrophobicContact CG2-CZ2 4.39Å
33	T	90.6	Very high	88.4	Confident	80 Å²	80	70.4 Å²	70.4	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-64	-33.3	179.6	54.7	0	0	0	0	113.4	A29 E30 L37	A29-T33 WeakPolarHBondContact O-CG2 3.37Å; A29-T33 PolarHBondContact O-N 3.23Å; A29-T33 VanDerWaalsContact O-N 3.15Å; A29-T33 PolarHBondContact O-OG1 2.98Å; E30-T33 WeakPolarHBondContact CA-OG1 3.46Å; E30-T33 PolarHBondContact O-N 3Å; E30-T33 PolarHBondContact O-OG1 2.79Å; T33-L37 WeakPolarHBondContact O-CB 3.36Å; T33-L37 PolarHBondContact O-N 3.17Å
34	L	88.3	Confident	88.4	Confident	46 Å²	46	71 Å²	71	24%	0.241	40%	0.401	C	S	.	.	H	α-helix	trans	-72.4	-37.3	177.3	-71	163.2	0	0	0	111.7	F19 I25 E30 A31 I32 N38 V49	F19-L34 HydrophobicContact CE1-CB 4.33Å; F19-L34 HydrophobicContact CE1-CD1 4.47Å; F19-L34 HydrophobicContact CZ-CB 3.82Å; F19-L34 HydrophobicContact CZ-CD1 4.19Å; I25-L34 HydrophobicContact CD1-CD1 3.53Å; E30-L34 HydrophobicContact CG-CD1 4.11Å; E30-L34 WeakPolarHBondContact O-CG 3.38Å; E30-L34 PolarHBondContact O-N 2.9Å; A31-L34 PolarHBondContact O-N 2.74Å; I32-L34 VanDerWaalsContact C-N 3.29Å; I32-L34 PolarHBondContact O-N 2.65Å; L34-N38 PolarHBondContact O-N 2.86Å; L34-N38 PolarHBondContact O-ND2 2.81Å; L34-V49 HydrophobicContact CD1-CG2 3.9Å; L34-V49 HydrophobicContact CD2-CG2 4.22Å; L34-V49 HydrophobicContact CG-CG2 4.49Å
35	L	90.6	Very high	88.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-68.3	-43.8	171.8	-76.4	166.8	0	0	0	112.1	I15 L16 F19 A31 I32 L37 N38 N39 W40 A45	I15-L35 HydrophobicContact CG2-CD1 4.16Å; I15-L35 HydrophobicContact CG2-CD2 3.71Å; L16-L35 HydrophobicContact CB-CD1 4.28Å; L16-L35 HydrophobicContact CD1-CD1 3.91Å; F19-L35 HydrophobicContact CB-CD1 3.92Å; F19-L35 HydrophobicContact CB-CD2 4.15Å; F19-L35 HydrophobicContact CB-CG 4.3Å; F19-L35 HydrophobicContact CD1-CD1 4.2Å; F19-L35 HydrophobicContact CD1-CG 4.26Å; F19-L35 HydrophobicContact CD2-CD2 3.85Å; F19-L35 HydrophobicContact CD2-CG 4.12Å; F19-L35 HydrophobicContact CE2-CD2 4.47Å; F19-L35 HydrophobicContact CG-CD1 4Å; F19-L35 HydrophobicContact CG-CD2 4.01Å; F19-L35 HydrophobicContact CG-CG 3.95Å; A31-L35 WeakPolarHBondContact O-CG 3.5Å; A31-L35 PolarHBondContact O-N 2.79Å; I32-L35 PolarHBondContact O-N 2.76Å; L35-L37 VanDerWaalsContact C-N 3.35Å; L35-L37 PolarHBondContact O-N 2.69Å; L35-N38 CarbonylContact O-C 3.55Å; L35-N38 PolarHBondContact O-N 2.79Å; L35-N38 VanDerWaalsContact O-N 3.08Å; L35-N39 PolarHBondContact O-N 3.1Å; L35-W40 HydrophobicContact CB-CD2 4.23Å; L35-W40 HydrophobicContact CB-CE3 4.15Å; L35-W40 HydrophobicContact CB-CZ3 4.43Å; L35-W40 HydrophobicContact CD1-CE3 4.14Å; L35-W40 HydrophobicContact CD1-CZ3 3.97Å; L35-W40 PolarHBondContact O-N 3.2Å; L35-A45 HydrophobicContact CD2-CB 3.82Å
36	E	90.6	Very high	88.5	Confident	107 Å²	107	68.4 Å²	68.4	50%	0.5	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-40	176.5	-75	-169	148.6	0	0	112.4	I32 N38 N39 W40	I32-E36 HydrophobicContact CG2-CG 4.25Å; I32-E36 WeakPolarHBondContact O-CB 3.47Å; I32-E36 WeakPolarHBondContact O-CG 3.36Å; I32-E36 PolarHBondContact O-N 2.99Å; E36-N38 PolarHBondContact O-N 2.78Å; E36-N39 PolarHBondContact O-N 2.87Å; E36-N39 VanDerWaalsContact O-N 3.12Å; E36-W40 HydrophobicContact CG-CZ2 4.12Å
37	L	89.1	Confident	88.6	Confident	142 Å²	142	65.6 Å²	65.6	74%	0.743	36%	0.359	S	S	*	.	H	α-helix	trans	-59.6	-28	174.7	-155.8	82.7	0	0	0	112.7	T33 L35	T33-L37 WeakPolarHBondContact O-CB 3.36Å; T33-L37 PolarHBondContact O-N 3.17Å; L35-L37 VanDerWaalsContact C-N 3.35Å; L35-L37 PolarHBondContact O-N 2.69Å
38	N	89.4	Confident	88	Confident	42 Å²	42	64.9 Å²	64.9	23%	0.225	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	19.3	-179.8	-70.1	-79.3	0	0	0	113	L34 L35 E36 W40 D41 A44 A45	L34-N38 PolarHBondContact O-N 2.86Å; L34-N38 PolarHBondContact O-ND2 2.81Å; L35-N38 CarbonylContact O-C 3.55Å; L35-N38 PolarHBondContact O-N 2.79Å; L35-N38 VanDerWaalsContact O-N 3.08Å; E36-N38 PolarHBondContact O-N 2.78Å; N38-W40 PolarHBondContact O-N 2.97Å; N38-D41 WeakPolarHBondContact O-CB 3.46Å; N38-D41 PolarHBondContact O-N 3.4Å; N38-A44 HydrophobicContact CB-CB 4.27Å; N38-A45 HydrophobicContact CB-CB 3.93Å
39	N	89	Confident	87.6	Confident	148 Å²	148	62.2 Å²	62.2	79%	0.791	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	28.2	-179.7	-54.8	-77.2	0	0	0	114.9	L35 E36 D41	L35-N39 PolarHBondContact O-N 3.1Å; E36-N39 PolarHBondContact O-N 2.87Å; E36-N39 VanDerWaalsContact O-N 3.12Å; N39-D41 VanDerWaalsContact C-N 3.25Å; N39-D41 PolarHBondContact O-N 3.09Å
40	W	88.8	Confident	86.9	Confident	40 Å²	40	62.8 Å²	62.8	15%	0.152	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	18	-172.8	-61.8	75.8	0	0	0	115.3	R12 I15 L16 I32 L35 E36 N38 L42	R12-W40 HydrophobicContact CB-CE3 3.93Å; R12-W40 HydrophobicContact CB-CH2 3.96Å; R12-W40 HydrophobicContact CB-CZ3 3.6Å; R12-W40 HydrophobicContact CG-CD2 3.94Å; R12-W40 HydrophobicContact CG-CE3 3.74Å; R12-W40 HydrophobicContact CG-CH2 4.22Å; R12-W40 HydrophobicContact CG-CZ2 4.4Å; R12-W40 HydrophobicContact CG-CZ3 3.89Å; R12-W40 WeakPolarHBondContact O-CZ3 3.47Å; I15-W40 HydrophobicContact CB-CE3 4.41Å; I15-W40 HydrophobicContact CG2-CE3 4.02Å; L16-W40 HydrophobicContact CB-CZ3 4.43Å; I32-W40 HydrophobicContact CG2-CZ2 4.39Å; L35-W40 HydrophobicContact CB-CD2 4.23Å; L35-W40 HydrophobicContact CB-CE3 4.15Å; L35-W40 HydrophobicContact CB-CZ3 4.43Å; L35-W40 HydrophobicContact CD1-CE3 4.14Å; L35-W40 HydrophobicContact CD1-CZ3 3.97Å; L35-W40 PolarHBondContact O-N 3.2Å; E36-W40 HydrophobicContact CG-CZ2 4.12Å; N38-W40 PolarHBondContact O-N 2.97Å; W40-L42 PolarHBondContact O-N 2.85Å
41	D	87.6	Confident	85.1	Confident	85 Å²	85	63.6 Å²	63.6	46%	0.455	37%	0.365	S	S	.	.			trans	-73.7	104.7	164.8	-175.9	-28.7	0	0	0	109.7	N38 N39 V43 A44 A45	N38-D41 WeakPolarHBondContact O-CB 3.46Å; N38-D41 PolarHBondContact O-N 3.4Å; N39-D41 VanDerWaalsContact C-N 3.25Å; N39-D41 PolarHBondContact O-N 3.09Å; D41-V43 VanDerWaalsContact C-N 3.26Å; D41-V43 PolarHBondContact O-N 3.44Å; D41-V43 WeakPolarHBondContact OD1-CA 3.48Å; D41-V43 PolarHBondContact OD1-N 3.49Å; D41-A44 HydrophobicContact CB-CB 3.86Å; D41-A44 PolarHBondContact O-N 2.69Å; D41-A44 PolarHBondContact OD1-N 3.1Å; D41-A45 VanDerWaalsContact O-CB 3.3Å; D41-A45 WeakPolarHBondContact O-CB 3.48Å; D41-A45 PolarHBondContact O-N 3.06Å
42	L	87.3	Confident	83.1	Confident	41 Å²	41	71.1 Å²	71.1	22%	0.215	40%	0.4	C	S	.	.	H	α-helix	trans	-54.7	-39.7	178.3	179.8	61.4	0	0	0	112.6	I15 D18 F19 W40 I46	I15-L42 HydrophobicContact CG2-CB 4.28Å; I15-L42 HydrophobicContact CG2-CD1 4.43Å; D18-L42 HydrophobicContact CB-CD1 4.31Å; D18-L42 HydrophobicContact CB-CD2 3.92Å; F19-L42 HydrophobicContact CB-CD1 3.63Å; F19-L42 HydrophobicContact CD2-CD1 4.27Å; F19-L42 HydrophobicContact CG-CD1 4.47Å; W40-L42 PolarHBondContact O-N 2.85Å; L42-I46 HydrophobicContact CD1-CD1 3.68Å; L42-I46 HydrophobicContact CD1-CG1 4.2Å; L42-I46 HydrophobicContact CG-CD1 3.85Å; L42-I46 WeakPolarHBondContact O-CB 3.45Å; L42-I46 WeakPolarHBondContact O-CD1 3.46Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.27Å
43	V	86.8	Confident	80.6	Confident	96 Å²	96	76.7 Å²	76.7	58%	0.582	43%	0.425	S	S	*	.	H	α-helix	trans	-76.5	-42.2	-175.4	-179	0	0	0	0	110.2	D41 N47	D41-V43 VanDerWaalsContact C-N 3.26Å; D41-V43 PolarHBondContact O-N 3.44Å; D41-V43 WeakPolarHBondContact OD1-CA 3.48Å; D41-V43 PolarHBondContact OD1-N 3.49Å; V43-N47 WeakPolarHBondContact O-CB 3.41Å; V43-N47 PolarHBondContact O-N 3.19Å; V43-N47 VanDerWaalsContact O-N 3.16Å; V43-N47 PolarHBondContact O-ND2 3.1Å
44	A	86.5	Confident	78	Confident	37 Å²	37	80.6 Å²	80.6	31%	0.306	44%	0.443	S	S	.	.	H	α-helix	trans	-61.5	-44.8	172.9	0	0	0	0	0	111.3	N38 D41 N47 G48	N38-A44 HydrophobicContact CB-CB 4.27Å; D41-A44 HydrophobicContact CB-CB 3.86Å; D41-A44 PolarHBondContact O-N 2.69Å; D41-A44 PolarHBondContact OD1-N 3.1Å; A44-N47 PolarHBondContact O-N 2.85Å; A44-G48 PolarHBondContact O-N 2.67Å
45	A	88	Confident	75.4	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-64.1	-45.9	-179.5	0	0	0	0	0	112.7	F19 L35 N38 D41 N47 G48 V49	F19-A45 HydrophobicContact CD2-CB 3.81Å; F19-A45 HydrophobicContact CE2-CB 3.47Å; F19-A45 VanDerWaalsContact CE2-CB 3.47Å; F19-A45 HydrophobicContact CZ-CB 4.47Å; L35-A45 HydrophobicContact CD2-CB 3.82Å; N38-A45 HydrophobicContact CB-CB 3.93Å; D41-A45 VanDerWaalsContact O-CB 3.3Å; D41-A45 WeakPolarHBondContact O-CB 3.48Å; D41-A45 PolarHBondContact O-N 3.06Å; A45-N47 PolarHBondContact O-N 2.86Å; A45-G48 PolarHBondContact O-N 3.44Å; A45-G48 VanDerWaalsContact O-N 3.15Å; A45-V49 PolarHBondContact O-N 2.74Å
46	I	86.7	Confident	72.7	Confident	31 Å²	31	89.5 Å²	89.5	16%	0.159	51%	0.506	C	S	.	.	H	α-helix	trans	-61	-45.7	177.6	-71.5	166.9	0	0	0	110.8	F19 C22 T23 L42 G48 V49 I50	F19-I46 HydrophobicContact CD2-CG1 3.99Å; F19-I46 HydrophobicContact CE2-CG1 4.43Å; C22-I46 HydrophobicContact CB-CD1 3.54Å; C22-I46 HydrophobicContact CB-CG1 4Å; T23-I46 HydrophobicContact CG2-CG1 4.21Å; L42-I46 HydrophobicContact CD1-CD1 3.68Å; L42-I46 HydrophobicContact CD1-CG1 4.2Å; L42-I46 HydrophobicContact CG-CD1 3.85Å; L42-I46 WeakPolarHBondContact O-CB 3.45Å; L42-I46 WeakPolarHBondContact O-CD1 3.46Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.27Å; I46-G48 PolarHBondContact O-N 2.87Å; I46-V49 PolarHBondContact O-N 2.94Å; I46-V49 VanDerWaalsContact O-N 3.11Å; I46-I50 HydrophobicContact CG2-CD1 3.67Å; I46-I50 HydrophobicContact CG2-CG1 4.21Å; I46-I50 PolarHBondContact O-N 2.97Å
47	N	83.6	Confident	69.8	Low	92 Å²	92	92.3 Å²	92.3	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-66.8	-21.1	177.4	-76.4	-69.7	0	0	0	113.5	V43 A44 A45	V43-N47 WeakPolarHBondContact O-CB 3.41Å; V43-N47 PolarHBondContact O-N 3.19Å; V43-N47 VanDerWaalsContact O-N 3.16Å; V43-N47 PolarHBondContact O-ND2 3.1Å; A44-N47 PolarHBondContact O-N 2.85Å; A45-N47 PolarHBondContact O-N 2.86Å
48	G	78.7	Confident	66.9	Low	65 Å²	65	94.6 Å²	94.6	67%	0.67	53%	0.531	S	S	*	.	H	α-helix	trans	-80.8	-18.8	172.7	0	0	0	0	0	114.4	A44 A45 I46	A44-G48 PolarHBondContact O-N 2.67Å; A45-G48 PolarHBondContact O-N 3.44Å; A45-G48 VanDerWaalsContact O-N 3.15Å; I46-G48 PolarHBondContact O-N 2.87Å
49	V	80.1	Confident	64.1	Low	42 Å²	42	97.6 Å²	97.6	26%	0.255	56%	0.555	S	S	.	*	H	α-helix	trans	-103.1	-42.7	-177.9	170.5	0	0	0	0	112.7	F19 T23 I25 L34 A45 I46 P51	F19-V49 HydrophobicContact CE2-CG2 4.32Å; F19-V49 HydrophobicContact CZ-CG2 3.88Å; T23-V49 HydrophobicContact CG2-CB 3.99Å; T23-V49 HydrophobicContact CG2-CG1 3.78Å; I25-V49 HydrophobicContact CD1-CG1 3.79Å; I25-V49 HydrophobicContact CD1-CG2 4.33Å; L34-V49 HydrophobicContact CD1-CG2 3.9Å; L34-V49 HydrophobicContact CD2-CG2 4.22Å; L34-V49 HydrophobicContact CG-CG2 4.49Å; A45-V49 PolarHBondContact O-N 2.74Å; I46-V49 PolarHBondContact O-N 2.94Å; I46-V49 VanDerWaalsContact O-N 3.11Å; V49-P51 VanDerWaalsContact O-CD 3.3Å; V49-P51 WeakPolarHBondContact O-CD 3.2Å
50	I	73.1	Confident	61.2	Low	77 Å²	77	97.4 Å²	97.4	40%	0.395	55%	0.554	S	S	.	*	S	Bend	trans	-86.5	114	-177.2	-56.1	-176.4	0	0	0	109.2	C22 T23 I46 Q52	C22-I50 WeakPolarHBondContact O-CD1 3.22Å; T23-I50 HydrophobicContact CG2-CG1 4.47Å; I46-I50 HydrophobicContact CG2-CD1 3.67Å; I46-I50 HydrophobicContact CG2-CG1 4.21Å; I46-I50 PolarHBondContact O-N 2.97Å; I50-Q52 PolarHBondContact O-N 3.5Å
51	P	51.7	Low	58.3	Low	111 Å²	111	105.3 Å²	105.3	72%	0.721	59%	0.59	S	S	*	*			trans	-66.4	133.6	172.5	-15.1	31.1	0	0	0	109.7	V49 E53	V49-P51 VanDerWaalsContact O-CD 3.3Å; V49-P51 WeakPolarHBondContact O-CD 3.2Å; P51-E53 PolarHBondContact O-N 3.12Å
52	Q	48.2	Very low	55.4	Low	159 Å²	159	106.9 Å²	106.9	74%	0.743	60%	0.602	S	S	*	*			trans	-73.4	85.8	179.3	-68	-173.6	-0.9	0	0	111.9	I50	I50-Q52 PolarHBondContact O-N 3.5Å
53	E	39	Very low	52.6	Low	169 Å²	169	109.4 Å²	109.4	79%	0.79	62%	0.624	S	S	*	*			trans	-96.4	139	157.1	-68.5	-156.7	133.5	0	0	110.7	P51	P51-E53 PolarHBondContact O-N 3.12Å
54	N	35.7	Very low	49.8	Very low	162 Å²	162	113.8 Å²	113.8	87%	0.866	64%	0.638	S	S	*	*	S	Bend	trans	64.6	60.9	176.2	-52.7	-50.2	0	0	0	116.3
55	G	34	Very low	47	Very low	72 Å²	72	116.2 Å²	116.2	74%	0.742	66%	0.657	S	S	*	*			trans	-78	152	170.1	0	0	0	0	0	114.6
56	I	33.5	Very low	44.2	Very low	161 Å²	161	121.1 Å²	121.1	83%	0.826	69%	0.692	S	S	*	*			trans	-150.8	143.6	154.1	-100.4	156.7	0	0	0	106
57	L	29.9	Very low	41.5	Very low	166 Å²	166	128.5 Å²	128.5	87%	0.869	73%	0.726	S	S	*	*			trans	72.7	65.8	-173.4	-50.9	-175.3	0	0	0	117.2
58	Q	27.6	Very low	38.7	Very low	191 Å²	191	128 Å²	128	89%	0.893	74%	0.735	S	S	*	*			trans	-122.7	127.1	130	-79.4	-166.2	-10.3	0	0	109.3
59	S	30.9	Very low	36.2	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	74%	0.741	S	S	*	*			trans	-105.6	132.3	172.2	52.9	0	0	0	0	109.3
60	D	28.2	Very low	33.7	Very low	144 Å²	144	136.1 Å²	136.1	77%	0.77	76%	0.763	S	S	*	*			trans	52.9	101.9	162.7	-52.1	-38.5	0	0	0	117.5
61	F	27.2	Very low	31.5	Very low	207 Å²	207	141 Å²	141	91%	0.908	78%	0.782	S	S	*	*				-162.9	167.1	102.2	-111.9	-80.1	0	0	0	111.3
62	T	25.9	Very low	30.1	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.724	78%	0.778	S	S	*	*			trans	-105.7	145.7	-162.2	54	0	0	0	0	115.1
63	S	28.6	Very low	30.5	Very low	94 Å²	94	137 Å²	137	66%	0.657	78%	0.781	S	S	*	*				130.6	116.5	129	-69.9	0	0	0	0	118.2
64	E	27.8	Very low	31.1	Very low	188 Å²	188	134.2 Å²	134.2	88%	0.879	78%	0.778	S	S	*	*			trans	74.2	151.4	132.7	-62.7	-173.5	114.3	0	0	123.5
65	A	28.5	Very low	30.8	Very low	87 Å²	87	132.5 Å²	132.5	72%	0.719	78%	0.778	S	S	*	*			trans	85.7	81	153.2	0	0	0	0	0	121.9
66	S	30.2	Very low	30.5	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	78%	0.782	S	S	*	*				64.3	124.6	112.3	-59.5	0	0	0	0	123.7
67	Q	28.6	Very low	31.3	Very low	186 Å²	186	134.5 Å²	134.5	87%	0.869	77%	0.773	S	S	*	*			trans	67.2	125.8	142.7	-60.6	170.9	-2.2	0	0	117.8
68	A	25.5	Very low	31.2	Very low	82 Å²	82	135.3 Å²	135.3	68%	0.678	77%	0.772	S	S	*	*			cis	91.9	136.2	31.9	0	0	0	0	0	115.7
69	T	26.7	Very low	31.5	Very low	131 Å²	131	130.7 Å²	130.7	80%	0.804	77%	0.767	S	S	*	*			trans	73.5	155.5	175.2	83.2	0	0	0	0	115
70	M	27.1	Very low	31.6	Very low	146 Å²	146	129.9 Å²	129.9	72%	0.719	77%	0.766	S	S	*	*			cis	-166.4	170.1	-2.9	-134.3	167.1	169.7	0	0	112.9
71	F	26.8	Very low	31.5	Very low	179 Å²	179	130.7 Å²	130.7	79%	0.785	77%	0.771	S	S	*	*			trans	65.2	135	153.4	-78.3	-64.7	0	0	0	123
72	G	23.2	Very low	31.6	Very low	63 Å²	63	125 Å²	125	65%	0.649	76%	0.762	S	S	*	*			trans	-101.9	-141.3	147.7	0	0	0	0	0	109.7
73	P	54.8	Low	31.8	Very low	124 Å²	124	123.9 Å²	123.9	81%	0.805	77%	0.765	S	S	*	*			cis	-125.5	-127.1	-12.5	38.3	-16.3	0	0	0	108.7
74	P	53.3	Low	31.7	Very low	110 Å²	110	124.2 Å²	124.2	71%	0.714	77%	0.773	S	S	*	*			cis	-129.9	-180	-37.5	38.4	-21.9	0	0	0	114.7
75	S	28.3	Very low	31.7	Very low	126 Å²	126	119.9 Å²	119.9	88%	0.881	77%	0.77	S	S	*	*			trans	-175.2	157	131.5	30.3	0	0	0	0	114.1
76	H	27.9	Very low	31.6	Very low	176 Å²	176	120.5 Å²	120.5	82%	0.815	78%	0.775	S	S	*	*			trans	-145.3	170.8	178.5	-132.6	-38.4	0	0	0	107.3
77	P	49.7	Very low	31.5	Very low	98 Å²	98	120.2 Å²	120.2	64%	0.636	78%	0.779	S	S	*	*				-134.5	-145.5	60.8	31.4	-6.2	0	0	0	110.7
78	E	29.1	Very low	31.4	Very low	183 Å²	183	116.3 Å²	116.3	86%	0.855	78%	0.778	S	S	*	*			cis	-153	-140.2	3.1	-152.7	159.7	174.3	0	0	112
79	A	32.3	Very low	31.5	Very low	95 Å²	95	117.2 Å²	117.2	79%	0.785	79%	0.786	S	S	*	*			trans	-144.7	-179.8	-172.5	0	0	0	0	0	111.3
80	A	33.3	Very low	31.6	Very low	86 Å²	86	115.4 Å²	115.4	71%	0.711	78%	0.784	S	S	*	*			cis	-141.5	-150.3	9.2	0	0	0	0	0	110
81	D	27.1	Very low	31.7	Very low	161 Å²	161	119.8 Å²	119.8	86%	0.861	79%	0.792	S	S	*	*			cis	-159.3	-166.6	8.9	-146.9	-34.2	0	0	0	111.6
82	A	29.4	Very low	32	Very low	87 Å²	87	116 Å²	116	72%	0.719	79%	0.788	S	S	*	*			trans	-137	167.7	-166	0	0	0	0	0	114.2
83	A	28.6	Very low	32.3	Very low	96 Å²	96	118 Å²	118	79%	0.793	80%	0.798	S	S	*	*			cis	-177.2	-154.3	-23.9	0	0	0	0	0	108.8
84	A	28.6	Very low	31	Very low	100 Å²	100	115.5 Å²	115.5	83%	0.826	80%	0.795	S	S	*	*			trans	104.3	154.6	153.5	0	0	0	0	0	121.6
85	A	26.3	Very low	30.5	Very low	98 Å²	98	116.8 Å²	116.8	81%	0.81	80%	0.804	S	S	*	*			trans	62.7	122.2	175	0	0	0	0	0	117.8
86	A	26.2	Very low	30.7	Very low	100 Å²	100	118.4 Å²	118.4	83%	0.826	80%	0.802	S	S	*	*			cis	84.7	113.1	8.5	0	0	0	0	0	119.2
87	A	28	Very low	31.4	Very low	98 Å²	98	116 Å²	116	81%	0.81	80%	0.802	S	S	*	*			trans	-175.3	139.8	146.6	0	0	0	0	0	114.4
88	A	27.9	Very low	30.6	Very low	104 Å²	104	116.5 Å²	116.5	86%	0.86	81%	0.807	S	S	*	*			trans	57.3	145.7	145.8	0	0	0	0	0	121.6
89	A	26.9	Very low	30.9	Very low	101 Å²	101	112.9 Å²	112.9	84%	0.835	80%	0.802	S	S	*	*			cis	-159.5	174.7	-10.8	0	0	0	0	0	110.8
90	A	28.5	Very low	30.7	Very low	93 Å²	93	114.6 Å²	114.6	77%	0.769	81%	0.809	S	S	*	*			trans	-136.1	176.8	-177.7	0	0	0	0	0	112.8
91	R	29.7	Very low	30.6	Very low	237 Å²	237	115.7 Å²	115.7	89%	0.894	81%	0.811	S	S	*	*			trans	107.7	154.4	172.8	-69.4	174.5	152.8	175.3	-7	116.1
92	S	32.4	Very low	30.7	Very low	100 Å²	100	114.1 Å²	114.1	70%	0.699	81%	0.813	S	S	*	*			cis	179.8	155.6	-32.3	56	0	0	0	0	111.9
93	A	30	Very low	30.9	Very low	104 Å²	104	115.3 Å²	115.3	86%	0.86	82%	0.816	S	S	*	*			trans	79.6	152.8	157.7	0	0	0	0	0	121
94	G	27.1	Very low	30.9	Very low	72 Å²	72	116.3 Å²	116.3	74%	0.742	82%	0.817	S	S	*	*			trans	-102.9	-162.8	172.4	0	0	0	0	0	113.1
95	P	44.1	Very low	31.2	Very low	137 Å²	137	117 Å²	117	89%	0.89	82%	0.816	S	S	*	*				-149.8	-156.8	60	42.6	-21.1	0	0	0	116.6
96	L	31.3	Very low	31.9	Very low	161 Å²	161	118 Å²	118	84%	0.843	81%	0.814	S	S	*	*			trans	-66	162.5	-174.9	-70.2	154.2	0	0	0	116.6
97	P	43.6	Very low	33.1	Very low	126 Å²	126	118.2 Å²	118.2	82%	0.818	81%	0.807	S	S	*	*				-138	-161.8	103.4	40.5	-28.7	0	0	0	114.7
98	S	32.3	Very low	33.4	Very low	107 Å²	107	118.9 Å²	118.9	75%	0.748	81%	0.805	S	S	*	*			trans	-126.6	160.9	-152.9	60.7	0	0	0	0	118.7
99	S	34.7	Very low	33.6	Very low	107 Å²	107	118.7 Å²	118.7	75%	0.748	80%	0.798	S	S	*	*			trans	64.3	118.3	146.1	62.8	0	0	0	0	122.1
100	S	29.6	Very low	34	Very low	132 Å²	132	118.9 Å²	118.9	92%	0.923	79%	0.793	S	S	*	*				-173	176.5	119.8	42.4	0	0	0	0	111.2
101	S	30.5	Very low	34	Very low	109 Å²	109	121.3 Å²	121.3	76%	0.762	80%	0.799	S	S	*	*			trans	-116.7	153.5	-160.7	54.5	0	0	0	0	115.2
102	S	29.8	Very low	34.2	Very low	127 Å²	127	115.9 Å²	115.9	89%	0.888	80%	0.797	S	S	*	*				160.7	173.4	126.4	54.4	0	0	0	0	112.6
103	S	32.3	Very low	34.1	Very low	113 Å²	113	115.4 Å²	115.4	79%	0.79	80%	0.799	S	S	*	*			trans	-129.4	141.5	-164.5	57.1	0	0	0	0	113.7
104	S	29.3	Very low	34.1	Very low	116 Å²	116	120.2 Å²	120.2	81%	0.811	80%	0.801	S	S	*	*			trans	-172	138.7	150.1	52.7	0	0	0	0	113.5
105	S	35	Very low	34.3	Very low	115 Å²	115	122.4 Å²	122.4	80%	0.804	80%	0.803	S	S	*	*			trans	-85.9	159.2	164.5	-43.1	0	0	0	0	111.6
106	P	40.8	Very low	33.7	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	80%	0.797	S	S	*	*			trans	-142.2	-162.6	141.5	45.9	-30.2	0	0	0	111.9
107	P	51.6	Low	33.6	Very low	105 Å²	105	121.9 Å²	121.9	68%	0.682	80%	0.799	S	S	*	*				-146	-177.6	-99.8	42.7	-21.4	0	0	0	118.2
108	S	33.6	Very low	33.3	Very low	111 Å²	111	121 Å²	121	78%	0.776	80%	0.795	S	S	*	*			trans	67.4	168.6	150.9	76.1	0	0	0	0	118
109	S	31.9	Very low	33.4	Very low	100 Å²	100	122 Å²	122	70%	0.699	80%	0.8	S	S	*	*			cis	-143.9	157.7	3.7	55.6	0	0	0	0	109.7
110	S	35.5	Very low	33.5	Very low	106 Å²	106	122.2 Å²	122.2	74%	0.741	80%	0.801	S	S	*	*			cis	90.9	99.4	13.8	82.9	0	0	0	0	117.6
111	T	29.9	Very low	33.7	Very low	143 Å²	143	122.2 Å²	122.2	88%	0.877	80%	0.796	S	S	*	*			trans	-142.6	168.9	177.4	57.2	0	0	0	0	111.8
112	S	33.7	Very low	34.1	Very low	123 Å²	123	128.2 Å²	128.2	86%	0.86	80%	0.801	S	S	*	*			trans	-165.2	161.9	175.9	67.4	0	0	0	0	113.4
113	A	29.2	Very low	34.1	Very low	90 Å²	90	131 Å²	131	74%	0.744	80%	0.8	S	S	*	*			trans	-154.1	115.2	171.5	0	0	0	0	0	116.2
114	F	29.5	Very low	34.5	Very low	206 Å²	206	132.8 Å²	132.8	90%	0.904	80%	0.799	S	S	*	*			trans	53.9	150.5	140.7	-77.7	-91.2	0	0	0	125.3
115	C	31.3	Very low	34.8	Very low	117 Å²	117	133.4 Å²	133.4	79%	0.791	80%	0.798	S	S	*	*			trans	-135.3	161.1	170.7	-51.2	0	0	0	0	110
116	P	32.2	Very low	35.2	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	80%	0.798	S	S	*	*				-149.7	136.5	126.6	34.7	-17.2	0	0	0	117.3
117	I	29.5	Very low	35.8	Very low	171 Å²	171	141.3 Å²	141.3	88%	0.877	80%	0.802	S	S	*	*			trans	58.8	139	142.7	-53.3	180	0	0	0	120.3
118	S	37.2	Very low	35.9	Very low	106 Å²	106	145.1 Å²	145.1	74%	0.741	81%	0.811	S	S	*	*			trans	-91.6	170.4	-167.8	-41.5	0	0	0	0	115.5
119	P	35.3	Very low	37.7	Very low	130 Å²	130	143.5 Å²	143.5	84%	0.844	80%	0.798	S	S	*	*				-134.4	176.8	90.4	39.2	-28.7	0	0	0	115.4
120	S	35.9	Very low	40	Very low	111 Å²	111	143.5 Å²	143.5	78%	0.776	78%	0.783	S	S	*	*			trans	-70.1	128.6	-163.2	-52.6	0	0	0	0	116.9
121	T	34.8	Very low	42.5	Very low	132 Å²	132	142.3 Å²	142.3	81%	0.81	77%	0.766	S	S	*	*				-174.5	148.3	100.8	24.1	0	0	0	0	112.7
122	R	37.3	Very low	45.2	Very low	234 Å²	234	135.5 Å²	135.5	88%	0.883	73%	0.725	S	S	*	*			trans	48.3	99.8	167.6	-63.7	-179.2	-178.6	165.8	0.5	117.9
123	H	29.7	Very low	47.6	Very low	185 Å²	185	132 Å²	132	86%	0.856	70%	0.696	S	S	*	*				-161.8	123	113.8	-110.1	-79.9	0	0	0	109
124	I	40.7	Very low	50.4	Low	151 Å²	151	127.8 Å²	127.8	77%	0.774	66%	0.661	S	S	*	*			trans	-79.5	123.3	163.5	-65.7	175.8	0	0	0	105.7	E126	I124-E126 VanDerWaalsContact C-N 3.34Å; I124-E126 PolarHBondContact O-N 2.83Å
125	V	37.4	Very low	53.1	Low	129 Å²	129	123.3 Å²	123.3	78%	0.782	64%	0.638	S	S	*	*			trans	-76.9	91.9	170.7	-179.4	0	0	0	0	107.4	R127	V125-R127 PolarHBondContact O-N 2.81Å; V125-R127 VanDerWaalsContact O-N 3.13Å
126	E	43.2	Very low	55.7	Low	174 Å²	174	117.8 Å²	117.8	81%	0.813	60%	0.601	S	S	*	*			trans	-59.6	114.7	165.3	-70.2	-174.2	130	0	0	108.1	I124 Q128	I124-E126 VanDerWaalsContact C-N 3.34Å; I124-E126 PolarHBondContact O-N 2.83Å; E126-Q128 PolarHBondContact O-N 3.46Å
127	R	52.2	Low	57.9	Low	226 Å²	226	116.2 Å²	116.2	85%	0.853	58%	0.583	S	S	*	*			trans	-61.8	129.4	170.6	-70.6	-178.6	173.8	-176.4	-1.8	107.4	V125	V125-R127 PolarHBondContact O-N 2.81Å; V125-R127 VanDerWaalsContact O-N 3.13Å
128	Q	55	Low	60.4	Low	185 Å²	185	109.1 Å²	109.1	86%	0.864	55%	0.546	S	S	*	.			trans	-52.7	135.9	175.7	-75.5	-176.1	-21.8	0	0	110.4	E126 R130	E126-Q128 PolarHBondContact O-N 3.46Å; Q128-R130 PolarHBondContact O-N 2.71Å; Q128-R130 VanDerWaalsContact O-N 3.08Å
129	P	69.5	Low	62.2	Low	78 Å²	78	111.1 Å²	111.1	51%	0.506	54%	0.537	S	S	.	.			trans	-59.4	113.9	-177	21.1	-31.9	0	0	0	110.7	M131 E148	P129-M131 PolarHBondContact O-N 3.41Å; P129-M131 VanDerWaalsContact O-N 3.15Å; P129-E148 HydrophobicContact CB-CG 3.57Å
130	R	81.5	Confident	63.8	Low	100 Å²	100	114.4 Å²	114.4	38%	0.377	54%	0.541	S	S	.	.			trans	-76.4	105.1	179.1	176.9	168.1	173.9	-94.8	-2.8	109.3	Q128 E149 L192	Q128-R130 PolarHBondContact O-N 2.71Å; Q128-R130 VanDerWaalsContact O-N 3.08Å; R130-E149 HydrophobicContact CB-CG 3.96Å; R130-E149 WeakPolarHBondContact CD-OE2 3.3Å; R130-E149 IonicContact NH1-OE2 3.66Å; R130-E149 PolarHBondContact NH1-OE2 3.41Å; R130-E149 PolarHBondContact O-N 3.43Å; R130-L192 PolarHBondContact NH1-O 3.28Å; R130-L192 PolarHBondContact NH2-O 3.2Å
131	M	88.4	Confident	65.5	Low	81 Å²	81	117.8 Å²	117.8	40%	0.399	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.1	175.4	-54.5	-53	-70.5	0	0	111.2	P129 V146 L147 E148	P129-M131 PolarHBondContact O-N 3.41Å; P129-M131 VanDerWaalsContact O-N 3.15Å; M131-V146 HydrophobicContact CB-CG1 4.04Å; M131-V146 HydrophobicContact CE-CG1 3.95Å; M131-L147 CarbonylContact C-O 3.5Å; M131-L147 WeakPolarHBondContact CA-O 3.4Å; M131-E148 HydrophobicContact CE-CB 4.36Å; M131-E148 HydrophobicContact SD-CB 3.83Å; M131-E148 HydrophobicContact SD-CG 4.44Å
132	I	85.1	Confident	67.7	Low	0 Å²	0	113.9 Å²	113.9	0%	0	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.1	-180	-56.2	174.8	0	0	0	107.9	F134 L147 E149 L187 N196	I132-F134 HydrophobicContact CB-CE2 3.79Å; I132-F134 HydrophobicContact CB-CZ 4.11Å; I132-F134 HydrophobicContact CG2-CD2 4.2Å; I132-F134 HydrophobicContact CG2-CE1 4.16Å; I132-F134 HydrophobicContact CG2-CE2 3.49Å; I132-F134 VanDerWaalsContact CG2-CE2 3.49Å; I132-F134 HydrophobicContact CG2-CZ 3.46Å; I132-F134 VanDerWaalsContact CG2-CZ 3.46Å; I132-L147 PolarHBondContact N-O 3.41Å; I132-L147 PolarHBondContact O-N 3.26Å; I132-E149 HydrophobicContact CD1-CB 3.76Å; I132-E149 HydrophobicContact CG1-CB 4.42Å; I132-L187 HydrophobicContact CD1-CB 4.3Å; I132-N196 WeakPolarHBondContact CG2-ND2 2.91Å
133	N	85.5	Confident	69.8	Low	49 Å²	49	103.9 Å²	103.9	26%	0.262	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.6	177.2	-56.2	-15.1	0	0	0	109.5	L145 K194 N195 N196	N133-L145 CarbonylContact C-O 3.55Å; N133-L145 WeakPolarHBondContact CA-O 3.32Å; N133-K194 WeakPolarHBondContact CB-O 3.5Å; N133-K194 PolarHBondContact N-O 2.79Å; N133-N195 PolarHBondContact ND2-OD1 2.93Å; N133-N196 PolarHBondContact O-N 2.83Å
134	F	87.8	Confident	72.5	Confident	2 Å²	2	101.5 Å²	101.5	1%	0.009	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.6	175.5	-60.9	-90.5	0	0	0	109.9	I132 V136 E144 L145 L147 I156 W176 L187 L192 N196 L198	I132-F134 HydrophobicContact CB-CE2 3.79Å; I132-F134 HydrophobicContact CB-CZ 4.11Å; I132-F134 HydrophobicContact CG2-CD2 4.2Å; I132-F134 HydrophobicContact CG2-CE1 4.16Å; I132-F134 HydrophobicContact CG2-CE2 3.49Å; I132-F134 VanDerWaalsContact CG2-CE2 3.49Å; I132-F134 HydrophobicContact CG2-CZ 3.46Å; I132-F134 VanDerWaalsContact CG2-CZ 3.46Å; F134-V136 HydrophobicContact CB-CG2 4.16Å; F134-E144 WeakPolarHBondContact O-CA 3.15Å; F134-L145 HydrophobicContact CB-CB 4.33Å; F134-L145 PolarHBondContact N-O 2.79Å; F134-L145 PolarHBondContact O-N 3.24Å; F134-L147 HydrophobicContact CE2-CB 4.43Å; F134-I156 HydrophobicContact CD1-CD1 4.31Å; F134-I156 HydrophobicContact CD2-CD1 4.25Å; F134-I156 HydrophobicContact CE1-CD1 4.07Å; F134-I156 HydrophobicContact CE2-CD1 4.02Å; F134-I156 HydrophobicContact CG-CD1 4.4Å; F134-I156 HydrophobicContact CZ-CD1 3.93Å; F134-W176 HydrophobicContact CE1-CZ3 4.05Å; F134-L187 HydrophobicContact CE2-CD1 3.91Å; F134-L187 HydrophobicContact CZ-CD1 3.91Å; F134-L187 HydrophobicContact CZ-CD2 3.9Å; F134-L187 HydrophobicContact CZ-CG 4.44Å; F134-L192 HydrophobicContact CE1-CD1 3.75Å; F134-L192 HydrophobicContact CZ-CD1 3.96Å; F134-N196 CarbonylContact C-O 3.46Å; F134-N196 WeakPolarHBondContact CA-O 3.38Å; F134-N196 HydrophobicContact CD1-CB 3.85Å; F134-N196 HydrophobicContact CE1-CB 4.11Å; F134-L198 HydrophobicContact CD1-CD1 3.6Å; F134-L198 HydrophobicContact CD1-CG 4.11Å; F134-L198 HydrophobicContact CE1-CD1 4.16Å; F134-L198 HydrophobicContact CG-CD1 4.46Å
135	R	84.9	Confident	74.7	Confident	111 Å²	111	95 Å²	95	42%	0.419	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.3	165.1	-171.7	-179.7	-147.8	-117.3	6.3	107.8	E137 S142 E144 N196 S197 L198	R135-E137 IonicContact CZ-OE1 2.69Å; R135-E137 IonicContact NH1-OE1 3.27Å; R135-E137 PolarHBondContact NH1-OE1 3.42Å; R135-S142 VanDerWaalsContact CG-OG 3.29Å; R135-S142 WeakPolarHBondContact CG-OG 3.33Å; R135-S142 PolarHBondContact NE-OG 2.95Å; R135-E144 HydrophobicContact CB-CG 4.44Å; R135-E144 HydrophobicContact CG-CG 4.12Å; R135-E144 IonicContact NE-OE1 2.65Å; R135-E144 PolarHBondContact NE-OE1 3.24Å; R135-N196 PolarHBondContact N-O 2.92Å; R135-S197 CarbonylContact O-C 3.6Å; R135-S197 WeakPolarHBondContact O-CA 3.24Å; R135-L198 PolarHBondContact O-N 3.27Å
136	V	86	Confident	77.1	Confident	2 Å²	2	93 Å²	93	1%	0.012	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.1	-174	-168.2	0	0	0	0	110.1	F134 S142 V143 L145 L160 L173 L198 V200	F134-V136 HydrophobicContact CB-CG2 4.16Å; V136-S142 WeakPolarHBondContact O-CA 3.48Å; V136-V143 PolarHBondContact N-O 3.02Å; V136-V143 PolarHBondContact O-N 3.36Å; V136-L145 HydrophobicContact CG2-CD1 3.87Å; V136-L145 HydrophobicContact CG2-CG 4.43Å; V136-L160 HydrophobicContact CB-CD1 4.44Å; V136-L160 HydrophobicContact CB-CD2 4.04Å; V136-L160 HydrophobicContact CG1-CD1 3.81Å; V136-L160 HydrophobicContact CG1-CD2 4.01Å; V136-L160 HydrophobicContact CG2-CD1 4.33Å; V136-L160 HydrophobicContact CG2-CD2 4.32Å; V136-L173 HydrophobicContact CG1-CD2 4.06Å; V136-L198 WeakPolarHBondContact CA-O 3.43Å; V136-L198 HydrophobicContact CG1-CB 4.36Å; V136-L198 HydrophobicContact CG2-CB 4.34Å; V136-V200 HydrophobicContact CG1-CG2 3.77Å
137	E	78.6	Confident	79.2	Confident	83 Å²	83	85.7 Å²	85.7	39%	0.388	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.8	-175.5	-68.2	170.6	-166	0	0	111	R135 L198 Y199 V200	R135-E137 IonicContact CZ-OE1 2.69Å; R135-E137 IonicContact NH1-OE1 3.27Å; R135-E137 PolarHBondContact NH1-OE1 3.42Å; E137-L198 PolarHBondContact N-O 3.14Å; E137-Y199 VanDerWaalsContact O-CA 3.24Å; E137-Y199 WeakPolarHBondContact O-CA 3.48Å; E137-V200 PolarHBondContact O-N 2.76Å
138	Y	81.9	Confident	81	Confident	22 Å²	22	77.7 Å²	77.7	9%	0.086	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.4	174.3	-175.4	-111.1	0	0	0	110.9	Q140 R141 L164 I166 V200 T202 S210	Y138-Q140 PolarHBondContact O-N 3.32Å; Y138-R141 PolarHBondContact N-O 3.38Å; Y138-R141 PolarHBondContact O-N 3.21Å; Y138-L164 HydrophobicContact CD1-CD1 4.39Å; Y138-L164 HydrophobicContact CG-CD1 4.23Å; Y138-I166 HydrophobicContact CD1-CD1 4.01Å; Y138-I166 HydrophobicContact CE1-CD1 3.47Å; Y138-I166 VanDerWaalsContact CE1-CD1 3.47Å; Y138-I166 HydrophobicContact CE2-CD1 4.2Å; Y138-V200 HydrophobicContact CD2-CB 3.73Å; Y138-V200 HydrophobicContact CD2-CG1 3.81Å; Y138-V200 WeakPolarHBondContact CD2-O 3.05Å; Y138-V200 HydrophobicContact CE2-CB 4.48Å; Y138-V200 HydrophobicContact CE2-CG1 4.1Å; Y138-V200 HydrophobicContact CG-CB 4.37Å; Y138-T202 HydrophobicContact CE2-CG2 3.93Å; Y138-T202 PolarHBondContact OH-OG1 2.89Å; Y138-T202 VanDerWaalsContact OH-OG1 3.07Å; Y138-S210 PolarHBondContact OH-OG 3.28Å
139	R	76.1	Confident	82.4	Confident	149 Å²	149	70.5 Å²	70.5	56%	0.562	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-87.5	-175.2	-57.9	173.3	179.1	-115.3	0.3	112.6	P207 S210	R139-P207 VanDerWaalsContact CZ-O 3.28Å; R139-P207 PolarHBondContact NH1-O 3.36Å; R139-P207 PolarHBondContact NH2-O 3.18Å; R139-S210 PolarHBondContact NH2-OG 3.5Å
140	Q	69.1	Low	83.1	Confident	198 Å²	198	68.5 Å²	68.5	93%	0.925	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	6.5	-177.5	-68.9	168.1	-10	0	0	112	Y138	Y138-Q140 PolarHBondContact O-N 3.32Å
141	R	71.6	Confident	83.3	Confident	182 Å²	182	68.9 Å²	68.9	69%	0.687	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.5	176.3	-63.9	-175.1	-179.4	-174.5	-0.7	110.1	Y138	Y138-R141 PolarHBondContact N-O 3.38Å; Y138-R141 PolarHBondContact O-N 3.21Å
142	S	79.4	Confident	83.4	Confident	51 Å²	51	67 Å²	67	36%	0.357	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.5	172.4	176	0	0	0	0	108.2	R135 V136	R135-S142 VanDerWaalsContact CG-OG 3.29Å; R135-S142 WeakPolarHBondContact CG-OG 3.33Å; R135-S142 PolarHBondContact NE-OG 2.95Å; V136-S142 WeakPolarHBondContact O-CA 3.48Å
143	V	82.8	Confident	83.5	Confident	23 Å²	23	67 Å²	67	14%	0.139	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	176.6	-176.6	0	0	0	0	108.2	V136 L145 L160 E163 L164	V136-V143 PolarHBondContact N-O 3.02Å; V136-V143 PolarHBondContact O-N 3.36Å; V143-L145 HydrophobicContact CG1-CD2 3.74Å; V143-L145 HydrophobicContact CG1-CG 4.27Å; V143-L160 HydrophobicContact CB-CD2 4.12Å; V143-L160 HydrophobicContact CG1-CD2 4.17Å; V143-L160 HydrophobicContact CG2-CD2 4.46Å; V143-E163 HydrophobicContact CG1-CB 4.24Å; V143-E163 HydrophobicContact CG1-CG 4.17Å; V143-L164 HydrophobicContact CG2-CD2 3.78Å; V143-L164 HydrophobicContact CG2-CG 4.46Å
144	E	85.1	Confident	83.5	Confident	136 Å²	136	65.8 Å²	65.8	64%	0.636	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	126	179.7	-59.4	-161.7	172.9	0	0	110.6	F134 R135	F134-E144 WeakPolarHBondContact O-CA 3.15Å; R135-E144 HydrophobicContact CB-CG 4.44Å; R135-E144 HydrophobicContact CG-CG 4.12Å; R135-E144 IonicContact NE-OE1 2.65Å; R135-E144 PolarHBondContact NE-OE1 3.24Å
145	L	88.1	Confident	83.5	Confident	14 Å²	14	68.4 Å²	68.4	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.8	-171.7	-52.1	174.1	0	0	0	109.7	N133 F134 V136 V143 I156 I159 L160	N133-L145 CarbonylContact C-O 3.55Å; N133-L145 WeakPolarHBondContact CA-O 3.32Å; F134-L145 HydrophobicContact CB-CB 4.33Å; F134-L145 PolarHBondContact N-O 2.79Å; F134-L145 PolarHBondContact O-N 3.24Å; V136-L145 HydrophobicContact CG2-CD1 3.87Å; V136-L145 HydrophobicContact CG2-CG 4.43Å; V143-L145 HydrophobicContact CG1-CD2 3.74Å; V143-L145 HydrophobicContact CG1-CG 4.27Å; L145-I156 HydrophobicContact CD1-CG2 3.97Å; L145-I159 HydrophobicContact CD2-CG2 3.67Å; L145-L160 HydrophobicContact CD1-CD1 4.47Å; L145-L160 HydrophobicContact CD1-CD2 4.05Å; L145-L160 HydrophobicContact CD1-CG 4.02Å
146	V	87.8	Confident	83.5	Confident	86 Å²	86	63.1 Å²	63.1	52%	0.521	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	114.9	175.8	-176.3	0	0	0	0	108.9	M131	M131-V146 HydrophobicContact CB-CG1 4.04Å; M131-V146 HydrophobicContact CE-CG1 3.95Å
147	L	87.6	Confident	83.6	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.5	-173.4	-73.9	175.2	0	0	0	112.8	M131 I132 F134 I156 I159 L187	M131-L147 CarbonylContact C-O 3.5Å; M131-L147 WeakPolarHBondContact CA-O 3.4Å; I132-L147 PolarHBondContact N-O 3.41Å; I132-L147 PolarHBondContact O-N 3.26Å; F134-L147 HydrophobicContact CE2-CB 4.43Å; L147-I156 HydrophobicContact CD1-CB 4.45Å; L147-I156 HydrophobicContact CD1-CD1 4.3Å; L147-I156 HydrophobicContact CD1-CG1 3.36Å; L147-I159 HydrophobicContact CD1-CD1 4.25Å; L147-I159 HydrophobicContact CD2-CD1 3.81Å; L147-I159 HydrophobicContact CG-CD1 4.43Å; L147-L187 HydrophobicContact CB-CD1 4.26Å
148	E	89.4	Confident	83.9	Confident	59 Å²	59	61.6 Å²	61.6	28%	0.276	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	140.8	175.5	-177.3	-170.6	155.4	0	0	111.4	P129 M131 S150 R151	P129-E148 HydrophobicContact CB-CG 3.57Å; M131-E148 HydrophobicContact CE-CB 4.36Å; M131-E148 HydrophobicContact SD-CB 3.83Å; M131-E148 HydrophobicContact SD-CG 4.44Å; E148-S150 WeakPolarHBondContact CG-OG 3.42Å; E148-S150 PolarHBondContact O-N 3.48Å; E148-S150 VanDerWaalsContact OE1-CB 3.23Å; E148-S150 WeakPolarHBondContact OE1-CB 3.48Å; E148-S150 PolarHBondContact OE1-OG 2.96Å; E148-S150 PolarHBondContact OE2-OG 3.35Å; E148-R151 HydrophobicContact CB-CG 4.27Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.9Å; E148-R151 IonicContact OE2-NE 2.65Å
149	E	84.9	Confident	84.1	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.154	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.7	179.4	72.1	170.2	-156.7	0	0	114.9	R130 I132 R151 V186 R188	R130-E149 HydrophobicContact CB-CG 3.96Å; R130-E149 WeakPolarHBondContact CD-OE2 3.3Å; R130-E149 IonicContact NH1-OE2 3.66Å; R130-E149 PolarHBondContact NH1-OE2 3.41Å; R130-E149 PolarHBondContact O-N 3.43Å; I132-E149 HydrophobicContact CD1-CB 3.76Å; I132-E149 HydrophobicContact CG1-CB 4.42Å; E149-R151 VanDerWaalsContact C-N 3.26Å; E149-R151 PolarHBondContact O-N 2.75Å; E149-V186 WeakPolarHBondContact O-CG1 3.39Å; E149-R188 HydrophobicContact CB-CB 3.99Å; E149-R188 HydrophobicContact CG-CB 4.01Å; E149-R188 HydrophobicContact CG-CG 4.38Å; E149-R188 WeakPolarHBondContact O-CB 3.3Å; E149-R188 PolarHBondContact O-N 3.06Å; E149-R188 VanDerWaalsContact OE1-CD 3.28Å; E149-R188 WeakPolarHBondContact OE1-CD 3.47Å
150	S	82.6	Confident	84.4	Confident	37 Å²	37	56.4 Å²	56.4	26%	0.259	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.1	174.7	70.4	0	0	0	0	113.8	E148 V186	E148-S150 WeakPolarHBondContact CG-OG 3.42Å; E148-S150 PolarHBondContact O-N 3.48Å; E148-S150 VanDerWaalsContact OE1-CB 3.23Å; E148-S150 WeakPolarHBondContact OE1-CB 3.48Å; E148-S150 PolarHBondContact OE1-OG 2.96Å; E148-S150 PolarHBondContact OE2-OG 3.35Å; S150-V186 WeakPolarHBondContact O-CG1 3.45Å
151	R	87.8	Confident	85.1	Confident	107 Å²	107	51.1 Å²	51.1	40%	0.404	26%	0.264	S	S	.	.	S	Bend	trans	-78.8	164.3	-177.5	-58.2	-37.8	-172.8	99.7	-4.5	112.8	E148 E149 E155 V186 L187	E148-R151 HydrophobicContact CB-CG 4.27Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 2.9Å; E148-R151 IonicContact OE2-NE 2.65Å; E149-R151 VanDerWaalsContact C-N 3.26Å; E149-R151 PolarHBondContact O-N 2.75Å; R151-E155 WeakPolarHBondContact CA-OE1 3.49Å; R151-E155 VanDerWaalsContact CD-OE2 3.22Å; R151-E155 WeakPolarHBondContact CD-OE2 3.47Å; R151-E155 WeakPolarHBondContact CG-OE2 3.42Å; R151-E155 IonicContact CZ-OE2 3.02Å; R151-E155 IonicContact NE-OE2 3.42Å; R151-E155 IonicContact NH1-OE2 3.62Å; R151-E155 PolarHBondContact NH1-OE2 3.3Å; R151-V186 WeakPolarHBondContact O-CA 3.33Å; R151-L187 HydrophobicContact CB-CD1 4.48Å; R151-L187 WeakPolarHBondContact O-CG 3.28Å; R151-L187 PolarHBondContact O-N 3Å
152	T	90.3	Very high	85.5	Confident	41 Å²	41	47.8 Å²	47.8	25%	0.252	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-95.6	157.9	-179.4	60.1	0	0	0	0	112.5	G154 E155 T185 V186	T152-G154 PolarHBondContact O-N 3.32Å; T152-E155 PolarHBondContact N-OE1 2.91Å; T152-E155 WeakPolarHBondContact O-CB 3.3Å; T152-E155 PolarHBondContact O-N 2.98Å; T152-E155 VanDerWaalsContact O-N 3.09Å; T152-E155 WeakPolarHBondContact OG1-CG 3.29Å; T152-E155 PolarHBondContact OG1-OE1 3.02Å; T152-T185 CarbonylContact C-O 3.49Å; T152-T185 WeakPolarHBondContact CA-O 3.48Å; T152-V186 HydrophobicContact CG2-CG2 4.26Å
153	V	86.6	Confident	85.5	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-27	174.7	172	0	0	0	0	111.9	E155 I156 K157 L173 W176 V181 T185 L187 L190	V153-E155 PolarHBondContact O-N 3.29Å; V153-I156 WeakPolarHBondContact O-CB 3.35Å; V153-I156 PolarHBondContact O-N 2.66Å; V153-K157 PolarHBondContact O-N 3.01Å; V153-K157 VanDerWaalsContact O-N 3.16Å; V153-L173 HydrophobicContact CG1-CD1 4.18Å; V153-W176 HydrophobicContact CB-CH2 4.42Å; V153-W176 HydrophobicContact CB-CZ2 4.49Å; V153-W176 HydrophobicContact CG1-CH2 3.86Å; V153-W176 HydrophobicContact CG1-CZ2 3.53Å; V153-W176 HydrophobicContact CG2-CH2 3.76Å; V153-W176 HydrophobicContact CG2-CZ2 4.15Å; V153-W176 HydrophobicContact CG2-CZ3 4.29Å; V153-V181 HydrophobicContact CB-CG1 4.19Å; V153-V181 HydrophobicContact CG1-CG1 4.04Å; V153-V181 HydrophobicContact CG2-CG1 3.6Å; V153-T185 WeakPolarHBondContact CG2-O 3.18Å; V153-T185 PolarHBondContact N-O 3.35Å; V153-L187 HydrophobicContact CG2-CD2 3.64Å; V153-L190 HydrophobicContact CG2-CD1 4.16Å
154	G	85.4	Confident	85.2	Confident	23 Å²	23	51.1 Å²	51.1	24%	0.237	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-30.1	169.5	0	0	0	0	0	113.5	T152 K157 G158 D183	T152-G154 PolarHBondContact O-N 3.32Å; G154-K157 PolarHBondContact O-N 3.37Å; G154-G158 PolarHBondContact O-N 3.48Å; G154-D183 WeakPolarHBondContact CA-O 3.49Å; G154-D183 PolarHBondContact N-O 2.88Å
155	E	86.6	Confident	84.7	Confident	56 Å²	56	47.7 Å²	47.7	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-73	-34.8	175	-70.2	161.6	-99.1	0	0	112.2	R151 T152 V153 K157 G158 I159	R151-E155 WeakPolarHBondContact CA-OE1 3.49Å; R151-E155 VanDerWaalsContact CD-OE2 3.22Å; R151-E155 WeakPolarHBondContact CD-OE2 3.47Å; R151-E155 WeakPolarHBondContact CG-OE2 3.42Å; R151-E155 IonicContact CZ-OE2 3.02Å; R151-E155 IonicContact NE-OE2 3.42Å; R151-E155 IonicContact NH1-OE2 3.62Å; R151-E155 PolarHBondContact NH1-OE2 3.3Å; T152-E155 PolarHBondContact N-OE1 2.91Å; T152-E155 WeakPolarHBondContact O-CB 3.3Å; T152-E155 PolarHBondContact O-N 2.98Å; T152-E155 VanDerWaalsContact O-N 3.09Å; T152-E155 WeakPolarHBondContact OG1-CG 3.29Å; T152-E155 PolarHBondContact OG1-OE1 3.02Å; V153-E155 PolarHBondContact O-N 3.29Å; E155-K157 VanDerWaalsContact C-N 3.32Å; E155-K157 PolarHBondContact O-N 3.49Å; E155-G158 PolarHBondContact O-N 3.36Å; E155-I159 WeakPolarHBondContact O-CG1 3.3Å; E155-I159 PolarHBondContact O-N 2.91Å
156	I	86.8	Confident	84.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-46.8	169.4	-67.4	167.6	0	0	0	109.5	F134 L145 L147 V153 G158 I159 L160 L173 W176 L187	F134-I156 HydrophobicContact CD1-CD1 4.31Å; F134-I156 HydrophobicContact CD2-CD1 4.25Å; F134-I156 HydrophobicContact CE1-CD1 4.07Å; F134-I156 HydrophobicContact CE2-CD1 4.02Å; F134-I156 HydrophobicContact CG-CD1 4.4Å; F134-I156 HydrophobicContact CZ-CD1 3.93Å; L145-I156 HydrophobicContact CD1-CG2 3.97Å; L147-I156 HydrophobicContact CD1-CB 4.45Å; L147-I156 HydrophobicContact CD1-CD1 4.3Å; L147-I156 HydrophobicContact CD1-CG1 3.36Å; V153-I156 WeakPolarHBondContact O-CB 3.35Å; V153-I156 PolarHBondContact O-N 2.66Å; I156-G158 VanDerWaalsContact C-N 3.33Å; I156-G158 PolarHBondContact O-N 2.88Å; I156-I159 PolarHBondContact O-N 2.97Å; I156-L160 HydrophobicContact CG2-CD1 3.67Å; I156-L160 HydrophobicContact CG2-CG 4.4Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 WeakPolarHBondContact O-CD1 3.36Å; I156-L160 VanDerWaalsContact O-CG 3.22Å; I156-L160 WeakPolarHBondContact O-CG 3.25Å; I156-L160 PolarHBondContact O-N 3.38Å; I156-L173 HydrophobicContact CB-CD1 4.19Å; I156-L173 HydrophobicContact CG2-CD1 3.65Å; I156-L173 HydrophobicContact CG2-CD2 4.43Å; I156-W176 HydrophobicContact CD1-CH2 3.86Å; I156-L187 HydrophobicContact CD1-CD1 4.07Å; I156-L187 HydrophobicContact CD1-CD2 3.72Å; I156-L187 HydrophobicContact CD1-CG 4.49Å
157	K	87.1	Confident	83.8	Confident	19 Å²	19	46.1 Å²	46.1	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-36.3	174.5	-67.6	-167.5	-178.3	-178.3	0	112.9	V153 G154 E155 Q161 A168 M171 L173 D183	V153-K157 PolarHBondContact O-N 3.01Å; V153-K157 VanDerWaalsContact O-N 3.16Å; G154-K157 PolarHBondContact O-N 3.37Å; E155-K157 VanDerWaalsContact C-N 3.32Å; E155-K157 PolarHBondContact O-N 3.49Å; K157-Q161 VanDerWaalsContact O-CB 3.28Å; K157-Q161 WeakPolarHBondContact O-CB 3.39Å; K157-Q161 PolarHBondContact O-N 3.41Å; K157-A168 HydrophobicContact CB-CB 3.8Å; K157-A168 HydrophobicContact CD-CB 4.25Å; K157-A168 WeakPolarHBondContact CD-O 3.44Å; K157-A168 PolarHBondContact NZ-O 3.29Å; K157-M171 HydrophobicContact CB-CE 4.22Å; K157-M171 WeakPolarHBondContact CE-O 3.36Å; K157-M171 PolarHBondContact NZ-O 2.88Å; K157-M171 WeakPolarHBondContact O-CE 3.31Å; K157-L173 HydrophobicContact CG-CD1 3.61Å; K157-L173 HydrophobicContact CG-CG 4.36Å; K157-D183 WeakPolarHBondContact CD-OD2 3.38Å; K157-D183 VanDerWaalsContact CE-CG 3.5Å; K157-D183 WeakPolarHBondContact CE-OD1 3.44Å; K157-D183 WeakPolarHBondContact CE-OD2 3.31Å; K157-D183 IonicContact NZ-OD1 2.72Å; K157-D183 PolarHBondContact NZ-OD1 2.89Å; K157-D183 IonicContact NZ-OD2 3.2Å; K157-D183 PolarHBondContact NZ-OD2 2.57Å
158	G	84.9	Confident	83.4	Confident	34 Å²	34	46.1 Å²	46.1	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-44.4	178	0	0	0	0	0	112.4	G154 E155 I156 Q161 T162	G154-G158 PolarHBondContact O-N 3.48Å; E155-G158 PolarHBondContact O-N 3.36Å; I156-G158 VanDerWaalsContact C-N 3.33Å; I156-G158 PolarHBondContact O-N 2.88Å; G158-Q161 PolarHBondContact O-N 3.3Å; G158-T162 PolarHBondContact O-N 3Å; G158-T162 PolarHBondContact O-OG1 2.93Å
159	I	85.2	Confident	83	Confident	62 Å²	62	48.3 Å²	48.3	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-69.1	-45.6	176.7	-62.2	162.3	0	0	0	110.3	L145 L147 E155 I156 Q161 T162 E163	L145-I159 HydrophobicContact CD2-CG2 3.67Å; L147-I159 HydrophobicContact CD1-CD1 4.25Å; L147-I159 HydrophobicContact CD2-CD1 3.81Å; L147-I159 HydrophobicContact CG-CD1 4.43Å; E155-I159 WeakPolarHBondContact O-CG1 3.3Å; E155-I159 PolarHBondContact O-N 2.91Å; I156-I159 PolarHBondContact O-N 2.97Å; I159-Q161 PolarHBondContact O-N 2.65Å; I159-T162 WeakPolarHBondContact O-CB 3.31Å; I159-T162 PolarHBondContact O-N 2.87Å; I159-E163 HydrophobicContact CG2-CG 4.23Å; I159-E163 WeakPolarHBondContact O-CG 3.36Å; I159-E163 PolarHBondContact O-N 2.71Å
160	L	83.2	Confident	82.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-26.3	175	-69.2	168.2	0	0	0	113.3	V136 V143 L145 I156 T162 L164 M171 L173 V200	V136-L160 HydrophobicContact CB-CD1 4.44Å; V136-L160 HydrophobicContact CB-CD2 4.04Å; V136-L160 HydrophobicContact CG1-CD1 3.81Å; V136-L160 HydrophobicContact CG1-CD2 4.01Å; V136-L160 HydrophobicContact CG2-CD1 4.33Å; V136-L160 HydrophobicContact CG2-CD2 4.32Å; V143-L160 HydrophobicContact CB-CD2 4.12Å; V143-L160 HydrophobicContact CG1-CD2 4.17Å; V143-L160 HydrophobicContact CG2-CD2 4.46Å; L145-L160 HydrophobicContact CD1-CD1 4.47Å; L145-L160 HydrophobicContact CD1-CD2 4.05Å; L145-L160 HydrophobicContact CD1-CG 4.02Å; I156-L160 HydrophobicContact CG2-CD1 3.67Å; I156-L160 HydrophobicContact CG2-CG 4.4Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 WeakPolarHBondContact O-CD1 3.36Å; I156-L160 VanDerWaalsContact O-CG 3.22Å; I156-L160 WeakPolarHBondContact O-CG 3.25Å; I156-L160 PolarHBondContact O-N 3.38Å; L160-T162 VanDerWaalsContact C-N 3.32Å; L160-L164 HydrophobicContact CB-CD1 4.4Å; L160-L164 HydrophobicContact CD2-CD1 4.11Å; L160-L164 HydrophobicContact CD2-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CA 3.32Å; L160-L164 VanDerWaalsContact O-CB 3.22Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 PolarHBondContact O-N 3.38Å; L160-M171 HydrophobicContact CB-CE 3.85Å; L160-M171 HydrophobicContact CB-SD 4.04Å; L160-L173 HydrophobicContact CD1-CD1 4.47Å; L160-L173 HydrophobicContact CD1-CD2 3.78Å; L160-V200 HydrophobicContact CD1-CG2 4.09Å
161	Q	84.3	Confident	82.7	Confident	87 Å²	87	49 Å²	49	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-35.5	174.7	169.6	171.6	-30	0	0	111.1	K157 G158 I159 G165 I166 M171	K157-Q161 VanDerWaalsContact O-CB 3.28Å; K157-Q161 WeakPolarHBondContact O-CB 3.39Å; K157-Q161 PolarHBondContact O-N 3.41Å; G158-Q161 PolarHBondContact O-N 3.3Å; I159-Q161 PolarHBondContact O-N 2.65Å; Q161-G165 VanDerWaalsContact O-CA 3.22Å; Q161-G165 WeakPolarHBondContact O-CA 2.87Å; Q161-G165 PolarHBondContact O-N 3.36Å; Q161-G165 VanDerWaalsContact O-N 3.09Å; Q161-I166 VanDerWaalsContact CA-O 3.28Å; Q161-I166 WeakPolarHBondContact CA-O 3.27Å; Q161-I166 VanDerWaalsContact CB-O 3.29Å; Q161-I166 WeakPolarHBondContact CB-O 3.26Å; Q161-I166 WeakPolarHBondContact CG-O 3.3Å; Q161-M171 HydrophobicContact CB-CE 3.99Å
162	T	80.2	Confident	82.5	Confident	113 Å²	113	47.6 Å²	47.6	69%	0.693	29%	0.287	S	S	*	.	H	α-helix	trans	-70.8	-50.5	172.1	-52.6	0	0	0	0	110.9	G158 I159 L160	G158-T162 PolarHBondContact O-N 3Å; G158-T162 PolarHBondContact O-OG1 2.93Å; I159-T162 WeakPolarHBondContact O-CB 3.31Å; I159-T162 PolarHBondContact O-N 2.87Å; L160-T162 VanDerWaalsContact C-N 3.32Å
163	E	78.3	Confident	82.1	Confident	112 Å²	112	46.4 Å²	46.4	52%	0.523	28%	0.279	S	S	.	.	H	α-helix	trans	-70.7	-35.4	-174.4	-65.2	-58.4	136.8	0	0	114.4	V143 I159	V143-E163 HydrophobicContact CG1-CB 4.24Å; V143-E163 HydrophobicContact CG1-CG 4.17Å; I159-E163 HydrophobicContact CG2-CG 4.23Å; I159-E163 WeakPolarHBondContact O-CG 3.36Å; I159-E163 PolarHBondContact O-N 2.71Å
164	L	77.5	Confident	81.7	Confident	31 Å²	31	51.2 Å²	51.2	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-102.4	-11.8	-178.6	-57	178.4	0	0	0	113.3	Y138 V143 L160 I166 M171 V200	Y138-L164 HydrophobicContact CD1-CD1 4.39Å; Y138-L164 HydrophobicContact CG-CD1 4.23Å; V143-L164 HydrophobicContact CG2-CD2 3.78Å; V143-L164 HydrophobicContact CG2-CG 4.46Å; L160-L164 HydrophobicContact CB-CD1 4.4Å; L160-L164 HydrophobicContact CD2-CD1 4.11Å; L160-L164 HydrophobicContact CD2-CG 4.44Å; L160-L164 WeakPolarHBondContact O-CA 3.32Å; L160-L164 VanDerWaalsContact O-CB 3.22Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 PolarHBondContact O-N 3.38Å; L164-I166 HydrophobicContact CB-CD1 4.02Å; L164-I166 HydrophobicContact CB-CG1 4.03Å; L164-I166 HydrophobicContact CD1-CD1 4.46Å; L164-I166 PolarHBondContact O-N 3.05Å; L164-M171 HydrophobicContact CD1-SD 4.46Å; L164-V200 HydrophobicContact CD1-CG2 4.46Å
165	G	73.1	Confident	81.2	Confident	64 Å²	64	51.5 Å²	51.5	66%	0.66	30%	0.303	S	S	*	.			trans	69.9	13.1	-175.3	0	0	0	0	0	114.9	Q161	Q161-G165 VanDerWaalsContact O-CA 3.22Å; Q161-G165 WeakPolarHBondContact O-CA 2.87Å; Q161-G165 PolarHBondContact O-N 3.36Å; Q161-G165 VanDerWaalsContact O-N 3.09Å
166	I	78.5	Confident	80.9	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	30%	0.297	C	S	.	.			trans	-101.8	127.6	-174.8	-52.7	173.3	0	0	0	109.7	Y138 Q161 L164 A168 K170 M171 T202 I205	Y138-I166 HydrophobicContact CD1-CD1 4.01Å; Y138-I166 HydrophobicContact CE1-CD1 3.47Å; Y138-I166 VanDerWaalsContact CE1-CD1 3.47Å; Y138-I166 HydrophobicContact CE2-CD1 4.2Å; Q161-I166 VanDerWaalsContact CA-O 3.28Å; Q161-I166 WeakPolarHBondContact CA-O 3.27Å; Q161-I166 VanDerWaalsContact CB-O 3.29Å; Q161-I166 WeakPolarHBondContact CB-O 3.26Å; Q161-I166 WeakPolarHBondContact CG-O 3.3Å; L164-I166 HydrophobicContact CB-CD1 4.02Å; L164-I166 HydrophobicContact CB-CG1 4.03Å; L164-I166 HydrophobicContact CD1-CD1 4.46Å; L164-I166 PolarHBondContact O-N 3.05Å; I166-A168 PolarHBondContact O-N 3.27Å; I166-K170 HydrophobicContact CG2-CB 4.5Å; I166-M171 HydrophobicContact CB-CG 3.94Å; I166-M171 HydrophobicContact CB-SD 3.95Å; I166-M171 HydrophobicContact CG2-CG 3.54Å; I166-M171 HydrophobicContact CG2-SD 4.25Å; I166-M171 WeakPolarHBondContact O-CE 3.44Å; I166-T202 HydrophobicContact CD1-CG2 4.19Å; I166-T202 HydrophobicContact CG2-CG2 3.99Å; I166-I205 HydrophobicContact CG2-CD1 4.03Å
167	P	79.3	Confident	79.9	Confident	62 Å²	62	57.8 Å²	57.8	40%	0.403	33%	0.328	S	S	.	.			trans	-57.3	132.9	176.3	-26.1	35	0	0	0	113	S169 K170 M171	P167-S169 PolarHBondContact O-N 3.35Å; P167-S169 VanDerWaalsContact O-N 3.1Å; P167-K170 PolarHBondContact O-N 3.02Å; P167-M171 PolarHBondContact O-N 2.86Å
168	A	80.3	Confident	78.6	Confident	21 Å²	21	60.4 Å²	60.4	17%	0.174	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.9	-179.4	0	0	0	0	0	113.5	K157 I166 K170 M171	K157-A168 HydrophobicContact CB-CB 3.8Å; K157-A168 HydrophobicContact CD-CB 4.25Å; K157-A168 WeakPolarHBondContact CD-O 3.44Å; K157-A168 PolarHBondContact NZ-O 3.29Å; I166-A168 PolarHBondContact O-N 3.27Å; A168-K170 PolarHBondContact O-N 3.16Å; A168-M171 HydrophobicContact CB-CE 4.42Å; A168-M171 PolarHBondContact O-N 3.45Å
169	S	79.2	Confident	77.5	Confident	104 Å²	104	61.9 Å²	61.9	73%	0.727	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.9	175.2	53.3	0	0	0	0	114.6	P167	P167-S169 PolarHBondContact O-N 3.35Å; P167-S169 VanDerWaalsContact O-N 3.1Å
170	K	80.1	Confident	76.5	Confident	83 Å²	83	67.4 Å²	67.4	36%	0.361	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-14.7	175.3	-63.4	-159.6	170.2	-155.1	0	113.6	I166 P167 A168 H172 D204 I205	I166-K170 HydrophobicContact CG2-CB 4.5Å; P167-K170 PolarHBondContact O-N 3.02Å; A168-K170 PolarHBondContact O-N 3.16Å; K170-H172 PolarHBondContact O-ND1 3.2Å; K170-D204 PolarHBondContact NZ-O 3.35Å; K170-I205 HydrophobicContact CB-CD1 4.05Å; K170-I205 HydrophobicContact CB-CG1 4.35Å; K170-I205 HydrophobicContact CD-CD1 3.7Å; K170-I205 HydrophobicContact CD-CG1 3.6Å
171	M	82.9	Confident	76.2	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	40%	0.402	C	S	.	.			trans	-84.7	121.4	-179.5	-69	-164.1	-70.5	0	0	111.8	K157 L160 Q161 L164 I166 P167 A168 V200	K157-M171 HydrophobicContact CB-CE 4.22Å; K157-M171 WeakPolarHBondContact CE-O 3.36Å; K157-M171 PolarHBondContact NZ-O 2.88Å; K157-M171 WeakPolarHBondContact O-CE 3.31Å; L160-M171 HydrophobicContact CB-CE 3.85Å; L160-M171 HydrophobicContact CB-SD 4.04Å; Q161-M171 HydrophobicContact CB-CE 3.99Å; L164-M171 HydrophobicContact CD1-SD 4.46Å; I166-M171 HydrophobicContact CB-CG 3.94Å; I166-M171 HydrophobicContact CB-SD 3.95Å; I166-M171 HydrophobicContact CG2-CG 3.54Å; I166-M171 HydrophobicContact CG2-SD 4.25Å; I166-M171 WeakPolarHBondContact O-CE 3.44Å; P167-M171 PolarHBondContact O-N 2.86Å; A168-M171 HydrophobicContact CB-CE 4.42Å; A168-M171 PolarHBondContact O-N 3.45Å; M171-V200 HydrophobicContact CB-CG1 4.04Å; M171-V200 HydrophobicContact CG-CG1 3.86Å; M171-V200 HydrophobicContact SD-CG1 4.08Å; M171-V200 HydrophobicContact SD-CG2 4.49Å
172	H	81.9	Confident	76	Confident	78 Å²	78	67.1 Å²	67.1	36%	0.361	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	102.5	172.8	-67.1	75.1	0	0	0	109.1	K170 L201 P203 D204	K170-H172 PolarHBondContact O-ND1 3.2Å; H172-L201 HydrophobicContact CB-CB 4.33Å; H172-L201 WeakPolarHBondContact CB-O 3.34Å; H172-L201 PolarHBondContact N-O 3.45Å; H172-L201 PolarHBondContact O-N 3.43Å; H172-P203 VanDerWaalsContact ND1-CD 3.34Å; H172-P203 WeakPolarHBondContact ND1-CD 3.36Å; H172-D204 IonicContact CE1-OD2 3.11Å
173	L	82.9	Confident	76.1	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.084	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.7	175.4	-76	165	0	0	0	110.3	V136 V153 I156 K157 L160 W176 L198 V200	V136-L173 HydrophobicContact CG1-CD2 4.06Å; V153-L173 HydrophobicContact CG1-CD1 4.18Å; I156-L173 HydrophobicContact CB-CD1 4.19Å; I156-L173 HydrophobicContact CG2-CD1 3.65Å; I156-L173 HydrophobicContact CG2-CD2 4.43Å; K157-L173 HydrophobicContact CG-CD1 3.61Å; K157-L173 HydrophobicContact CG-CG 4.36Å; L160-L173 HydrophobicContact CD1-CD1 4.47Å; L160-L173 HydrophobicContact CD1-CD2 3.78Å; L173-W176 HydrophobicContact CB-CZ2 3.82Å; L173-W176 HydrophobicContact CD1-CZ2 4.02Å; L173-W176 HydrophobicContact CG-CZ2 4.49Å; L173-W176 PolarHBondContact O-NE1 2.69Å; L173-L198 HydrophobicContact CD2-CB 4.44Å; L173-L198 HydrophobicContact CD2-CD1 4.36Å; L173-V200 HydrophobicContact CD2-CG2 3.65Å
174	K	78.8	Confident	76.3	Confident	104 Å²	104	65.1 Å²	65.1	45%	0.452	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	172.5	171.8	-67.4	-164.1	-177.9	-174.7	0	110.5	L198 Y199 L201	K174-L198 CarbonylContact O-C 3.57Å; K174-L198 VanDerWaalsContact O-CA 3.28Å; K174-L198 WeakPolarHBondContact O-CA 3.38Å; K174-L198 WeakPolarHBondContact O-CB 3.46Å; K174-Y199 HydrophobicContact CB-CD2 4.02Å; K174-Y199 HydrophobicContact CB-CE1 4.13Å; K174-Y199 HydrophobicContact CB-CE2 3.45Å; K174-Y199 VanDerWaalsContact CB-CE2 3.45Å; K174-Y199 VanDerWaalsContact CB-CZ 3.5Å; K174-Y199 HydrophobicContact CD-CE2 4.33Å; K174-Y199 HydrophobicContact CG-CE2 4.41Å; K174-Y199 PolarHBondContact N-O 3.47Å; K174-Y199 PolarHBondContact O-N 2.76Å; K174-L201 HydrophobicContact CD-CD1 3.82Å; K174-L201 HydrophobicContact CG-CD1 4.48Å
175	G	74.4	Confident	76.7	Confident	29 Å²	29	65 Å²	65	30%	0.299	39%	0.393	S	S	.	.			trans	99	-0.2	-170.7	0	0	0	0	0	114.4	K177	G175-K177 PolarHBondContact O-N 2.88Å
176	W	79.9	Confident	77.4	Confident	39 Å²	39	64.1 Å²	64.1	15%	0.148	38%	0.375	C	S	.	.			trans	-57.1	134.4	172.6	-54.3	108.9	0	0	0	111.5	F134 V153 I156 L173 S178 V181 L187 L190 L192 L198	F134-W176 HydrophobicContact CE1-CZ3 4.05Å; V153-W176 HydrophobicContact CB-CH2 4.42Å; V153-W176 HydrophobicContact CB-CZ2 4.49Å; V153-W176 HydrophobicContact CG1-CH2 3.86Å; V153-W176 HydrophobicContact CG1-CZ2 3.53Å; V153-W176 HydrophobicContact CG2-CH2 3.76Å; V153-W176 HydrophobicContact CG2-CZ2 4.15Å; V153-W176 HydrophobicContact CG2-CZ3 4.29Å; I156-W176 HydrophobicContact CD1-CH2 3.86Å; L173-W176 HydrophobicContact CB-CZ2 3.82Å; L173-W176 HydrophobicContact CD1-CZ2 4.02Å; L173-W176 HydrophobicContact CG-CZ2 4.49Å; L173-W176 PolarHBondContact O-NE1 2.69Å; W176-S178 VanDerWaalsContact C-N 3.26Å; W176-S178 PolarHBondContact O-N 3.44Å; W176-V181 HydrophobicContact CB-CG2 3.77Å; W176-V181 HydrophobicContact CD2-CB 4.15Å; W176-V181 HydrophobicContact CD2-CG1 4.18Å; W176-V181 HydrophobicContact CD2-CG2 3.85Å; W176-V181 HydrophobicContact CE3-CG2 4.47Å; W176-V181 HydrophobicContact CG-CB 4.02Å; W176-V181 HydrophobicContact CG-CG2 3.49Å; W176-V181 VanDerWaalsContact CG-CG2 3.49Å; W176-V181 HydrophobicContact CZ2-CG1 4.26Å; W176-L187 HydrophobicContact CH2-CD2 4.37Å; W176-L187 HydrophobicContact CZ3-CD2 4.2Å; W176-L190 HydrophobicContact CE3-CD1 3.89Å; W176-L190 HydrophobicContact CZ3-CD1 3.97Å; W176-L192 HydrophobicContact CE3-CD1 4.21Å; W176-L192 HydrophobicContact CZ3-CD1 4.01Å; W176-L198 HydrophobicContact CD2-CD2 3.83Å; W176-L198 HydrophobicContact CE3-CD1 4.4Å; W176-L198 HydrophobicContact CE3-CD2 3.84Å; W176-L198 HydrophobicContact CG-CD2 4.34Å; W176-L198 HydrophobicContact CH2-CD1 3.52Å; W176-L198 HydrophobicContact CH2-CD2 4.38Å; W176-L198 HydrophobicContact CZ2-CD1 3.8Å; W176-L198 HydrophobicContact CZ2-CD2 4.37Å; W176-L198 HydrophobicContact CZ3-CD1 3.86Å; W176-L198 HydrophobicContact CZ3-CD2 4.13Å
177	K	65.6	Low	77.7	Confident	149 Å²	149	63.8 Å²	63.8	65%	0.648	37%	0.374	S	S	*	.	S	Bend	trans	-80.6	-2.7	179.7	-65.4	-174	176.6	179.5	0	113.9	G175 L192 P193	G175-K177 PolarHBondContact O-N 2.88Å; K177-L192 HydrophobicContact CB-CD2 4.47Å; K177-P193 HydrophobicContact CD-CG 4.3Å
178	S	61.1	Low	78	Confident	74 Å²	74	67.1 Å²	67.1	52%	0.517	38%	0.378	S	S	.	.	S	Bend	trans	-155.5	123.9	-179.1	-164.3	0	0	0	0	111.5	W176	W176-S178 VanDerWaalsContact C-N 3.26Å; W176-S178 PolarHBondContact O-N 3.44Å
179	G	61.6	Low	78.1	Confident	64 Å²	64	69.6 Å²	69.6	66%	0.66	39%	0.394	S	S	*	.	S	Bend	trans	71.4	170.6	167.4	0	0	0	0	0	117.2
180	D	62.9	Low	78	Confident	178 Å²	178	65.8 Å²	65.8	95%	0.952	37%	0.366	S	S	*	.			trans	-73.2	129.7	158.1	-74.9	-51.8	0	0	0	108.7
181	V	78.6	Confident	77.9	Confident	30 Å²	30	69.6 Å²	69.6	18%	0.182	38%	0.384	C	S	.	.			trans	-114.8	123.5	-170.5	-178.9	0	0	0	0	110.2	V153 W176 T185 L190	V153-V181 HydrophobicContact CB-CG1 4.19Å; V153-V181 HydrophobicContact CG1-CG1 4.04Å; V153-V181 HydrophobicContact CG2-CG1 3.6Å; W176-V181 HydrophobicContact CB-CG2 3.77Å; W176-V181 HydrophobicContact CD2-CB 4.15Å; W176-V181 HydrophobicContact CD2-CG1 4.18Å; W176-V181 HydrophobicContact CD2-CG2 3.85Å; W176-V181 HydrophobicContact CE3-CG2 4.47Å; W176-V181 HydrophobicContact CG-CB 4.02Å; W176-V181 HydrophobicContact CG-CG2 3.49Å; W176-V181 VanDerWaalsContact CG-CG2 3.49Å; W176-V181 HydrophobicContact CZ2-CG1 4.26Å; V181-T185 HydrophobicContact CG1-CG2 4.25Å; V181-L190 HydrophobicContact CG1-CD1 3.86Å; V181-L190 HydrophobicContact CG2-CD1 4.16Å; V181-L190 HydrophobicContact CG2-CD2 3.84Å
182	S	78.7	Confident	77.8	Confident	52 Å²	52	69.7 Å²	69.7	36%	0.364	39%	0.385	S	S	.	.			trans	-93.5	158.8	175.8	71.7	0	0	0	0	112.1	T184 T185	S182-T184 PolarHBondContact O-N 3.09Å; S182-T184 VanDerWaalsContact O-N 3.16Å; S182-T184 PolarHBondContact OG-OG1 3.49Å; S182-T185 PolarHBondContact N-OG1 3.08Å; S182-T185 WeakPolarHBondContact O-CB 3.27Å; S182-T185 PolarHBondContact O-N 2.89Å; S182-T185 PolarHBondContact O-OG1 3.28Å; S182-T185 PolarHBondContact OG-N 3.03Å; S182-T185 PolarHBondContact OG-OG1 3.08Å
183	D	81.9	Confident	77.6	Confident	65 Å²	65	68.6 Å²	68.6	35%	0.348	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.8	178	-60.9	5.3	0	0	0	112.6	G154 K157 T185	G154-D183 WeakPolarHBondContact CA-O 3.49Å; G154-D183 PolarHBondContact N-O 2.88Å; K157-D183 WeakPolarHBondContact CD-OD2 3.38Å; K157-D183 VanDerWaalsContact CE-CG 3.5Å; K157-D183 WeakPolarHBondContact CE-OD1 3.44Å; K157-D183 WeakPolarHBondContact CE-OD2 3.31Å; K157-D183 IonicContact NZ-OD1 2.72Å; K157-D183 PolarHBondContact NZ-OD1 2.89Å; K157-D183 IonicContact NZ-OD2 3.2Å; K157-D183 PolarHBondContact NZ-OD2 2.57Å; D183-T185 VanDerWaalsContact C-N 3.34Å
184	T	84.3	Confident	77.4	Confident	117 Å²	117	74.4 Å²	74.4	72%	0.718	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-6	173	49.9	0	0	0	0	114.4	S182	S182-T184 PolarHBondContact O-N 3.09Å; S182-T184 VanDerWaalsContact O-N 3.16Å; S182-T184 PolarHBondContact OG-OG1 3.49Å
185	T	85.4	Confident	77.6	Confident	28 Å²	28	74.5 Å²	74.5	17%	0.172	42%	0.415	C	S	.	.			trans	-72.9	133.1	-179.7	-59.9	0	0	0	0	110.5	T152 V153 V181 S182 D183 L190	T152-T185 CarbonylContact C-O 3.49Å; T152-T185 WeakPolarHBondContact CA-O 3.48Å; V153-T185 WeakPolarHBondContact CG2-O 3.18Å; V153-T185 PolarHBondContact N-O 3.35Å; V181-T185 HydrophobicContact CG1-CG2 4.25Å; S182-T185 PolarHBondContact N-OG1 3.08Å; S182-T185 WeakPolarHBondContact O-CB 3.27Å; S182-T185 PolarHBondContact O-N 2.89Å; S182-T185 PolarHBondContact O-OG1 3.28Å; S182-T185 PolarHBondContact OG-N 3.03Å; S182-T185 PolarHBondContact OG-OG1 3.08Å; D183-T185 VanDerWaalsContact C-N 3.34Å; T185-L190 HydrophobicContact CG2-CD1 4.07Å; T185-L190 HydrophobicContact CG2-CD2 3.87Å; T185-L190 HydrophobicContact CG2-CG 3.84Å
186	V	88	Confident	77.9	Confident	46 Å²	46	73.6 Å²	73.6	28%	0.279	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-86.8	134.4	178.2	177.9	0	0	0	0	109.9	E149 S150 R151 T152 R188 S189	E149-V186 WeakPolarHBondContact O-CG1 3.39Å; S150-V186 WeakPolarHBondContact O-CG1 3.45Å; R151-V186 WeakPolarHBondContact O-CA 3.33Å; T152-V186 HydrophobicContact CG2-CG2 4.26Å; V186-R188 HydrophobicContact CG1-CB 4.15Å; V186-R188 PolarHBondContact O-N 2.99Å; V186-R188 VanDerWaalsContact O-N 3.16Å; V186-S189 PolarHBondContact O-N 3.5Å; V186-S189 PolarHBondContact O-OG 2.88Å
187	L	84.3	Confident	78.1	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-59.7	-33.6	-172.6	-63.4	175	0	0	0	113.2	I132 F134 L147 R151 V153 I156 W176 S189 L190	I132-L187 HydrophobicContact CD1-CB 4.3Å; F134-L187 HydrophobicContact CE2-CD1 3.91Å; F134-L187 HydrophobicContact CZ-CD1 3.91Å; F134-L187 HydrophobicContact CZ-CD2 3.9Å; F134-L187 HydrophobicContact CZ-CG 4.44Å; L147-L187 HydrophobicContact CB-CD1 4.26Å; R151-L187 HydrophobicContact CB-CD1 4.48Å; R151-L187 WeakPolarHBondContact O-CG 3.28Å; R151-L187 PolarHBondContact O-N 3Å; V153-L187 HydrophobicContact CG2-CD2 3.64Å; I156-L187 HydrophobicContact CD1-CD1 4.07Å; I156-L187 HydrophobicContact CD1-CD2 3.72Å; I156-L187 HydrophobicContact CD1-CG 4.49Å; W176-L187 HydrophobicContact CH2-CD2 4.37Å; W176-L187 HydrophobicContact CZ3-CD2 4.2Å; L187-S189 VanDerWaalsContact C-N 3.31Å; L187-S189 PolarHBondContact O-N 3.47Å; L187-L190 HydrophobicContact CD2-CD1 4.42Å; L187-L190 WeakPolarHBondContact O-CB 3.46Å; L187-L190 PolarHBondContact O-N 3.05Å; L187-L190 VanDerWaalsContact O-N 3.12Å
188	R	84.4	Confident	79	Confident	132 Å²	132	68.4 Å²	68.4	50%	0.498	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-57.2	-35.1	172.9	178	166.8	55.3	-151.6	-4	113.8	E149 V186 L190 H191	E149-R188 HydrophobicContact CB-CB 3.99Å; E149-R188 HydrophobicContact CG-CB 4.01Å; E149-R188 HydrophobicContact CG-CG 4.38Å; E149-R188 WeakPolarHBondContact O-CB 3.3Å; E149-R188 PolarHBondContact O-N 3.06Å; E149-R188 VanDerWaalsContact OE1-CD 3.28Å; E149-R188 WeakPolarHBondContact OE1-CD 3.47Å; V186-R188 HydrophobicContact CG1-CB 4.15Å; V186-R188 PolarHBondContact O-N 2.99Å; V186-R188 VanDerWaalsContact O-N 3.16Å; R188-L190 VanDerWaalsContact C-N 3.28Å; R188-L190 PolarHBondContact O-N 3.26Å; R188-H191 PolarHBondContact O-N 3.31Å
189	S	82.4	Confident	80	Confident	73 Å²	73	70.2 Å²	70.2	51%	0.51	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-74.5	-19.2	178.2	58.3	0	0	0	0	113.2	V186 L187 H191	V186-S189 PolarHBondContact O-N 3.5Å; V186-S189 PolarHBondContact O-OG 2.88Å; L187-S189 VanDerWaalsContact C-N 3.31Å; L187-S189 PolarHBondContact O-N 3.47Å; S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-N 2.97Å; S189-H191 PolarHBondContact O-ND1 3.14Å
190	L	78.2	Confident	81.1	Confident	23 Å²	23	67.4 Å²	67.4	12%	0.12	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-82.2	-4.4	177.4	-61.9	174.9	0	0	0	113.5	V153 W176 V181 T185 L187 R188 L192	V153-L190 HydrophobicContact CG2-CD1 4.16Å; W176-L190 HydrophobicContact CE3-CD1 3.89Å; W176-L190 HydrophobicContact CZ3-CD1 3.97Å; V181-L190 HydrophobicContact CG1-CD1 3.86Å; V181-L190 HydrophobicContact CG2-CD1 4.16Å; V181-L190 HydrophobicContact CG2-CD2 3.84Å; T185-L190 HydrophobicContact CG2-CD1 4.07Å; T185-L190 HydrophobicContact CG2-CD2 3.87Å; T185-L190 HydrophobicContact CG2-CG 3.84Å; L187-L190 HydrophobicContact CD2-CD1 4.42Å; L187-L190 WeakPolarHBondContact O-CB 3.46Å; L187-L190 PolarHBondContact O-N 3.05Å; L187-L190 VanDerWaalsContact O-N 3.12Å; R188-L190 VanDerWaalsContact C-N 3.28Å; R188-L190 PolarHBondContact O-N 3.26Å; L190-L192 HydrophobicContact CB-CD1 4.12Å; L190-L192 HydrophobicContact CB-CD2 4.09Å; L190-L192 HydrophobicContact CB-CG 3.73Å; L190-L192 HydrophobicContact CD1-CD1 4.34Å; L190-L192 PolarHBondContact O-N 3.1Å
191	H	77.4	Confident	81.7	Confident	163 Å²	163	62.5 Å²	62.5	76%	0.755	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	31.3	174.9	-64.5	81.6	0	0	0	114.6	R188 S189	R188-H191 PolarHBondContact O-N 3.31Å; S189-H191 VanDerWaalsContact C-N 3.3Å; S189-H191 PolarHBondContact O-N 2.97Å; S189-H191 PolarHBondContact O-ND1 3.14Å
192	L	80.4	Confident	81.7	Confident	4 Å²	4	62 Å²	62	2%	0.021	33%	0.328	C	S	.	.			trans	-66.5	148.1	-170.7	-61.4	175	0	0	0	112.7	R130 F134 W176 K177 L190	R130-L192 PolarHBondContact NH1-O 3.28Å; R130-L192 PolarHBondContact NH2-O 3.2Å; F134-L192 HydrophobicContact CE1-CD1 3.75Å; F134-L192 HydrophobicContact CZ-CD1 3.96Å; W176-L192 HydrophobicContact CE3-CD1 4.21Å; W176-L192 HydrophobicContact CZ3-CD1 4.01Å; K177-L192 HydrophobicContact CB-CD2 4.47Å; L190-L192 HydrophobicContact CB-CD1 4.12Å; L190-L192 HydrophobicContact CB-CD2 4.09Å; L190-L192 HydrophobicContact CB-CG 3.73Å; L190-L192 HydrophobicContact CD1-CD1 4.34Å; L190-L192 PolarHBondContact O-N 3.1Å
193	P	77.8	Confident	81	Confident	55 Å²	55	63.6 Å²	63.6	36%	0.357	34%	0.337	S	S	.	.			trans	-64.8	171.5	168.8	29.2	-36.5	0	0	0	111.9	K177 N195 N196	K177-P193 HydrophobicContact CD-CG 4.3Å; P193-N195 VanDerWaalsContact C-N 3.32Å; P193-N195 PolarHBondContact O-N 2.89Å; P193-N196 VanDerWaalsContact CD-OD1 3.29Å; P193-N196 WeakPolarHBondContact CD-OD1 3.4Å; P193-N196 WeakPolarHBondContact CG-OD1 3.45Å; P193-N196 PolarHBondContact O-ND2 3.32Å
194	K	79.5	Confident	79.7	Confident	138 Å²	138	65.6 Å²	65.6	60%	0.6	35%	0.348	S	S	*	.	S	Bend	trans	-61.5	-36.7	-177.8	-172.3	178.3	178.8	-177.1	0	113.2	N133	N133-K194 WeakPolarHBondContact CB-O 3.5Å; N133-K194 PolarHBondContact N-O 2.79Å
195	N	82.9	Confident	78.5	Confident	106 Å²	106	61 Å²	61	57%	0.567	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	131	178.1	-62.4	-6	0	0	0	109.9	N133 P193	N133-N195 PolarHBondContact ND2-OD1 2.93Å; P193-N195 VanDerWaalsContact C-N 3.32Å; P193-N195 PolarHBondContact O-N 2.89Å
196	N	81.3	Confident	76.9	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.2	179.1	-59.9	-82.2	0	0	0	110.5	I132 N133 F134 R135 P193	I132-N196 WeakPolarHBondContact CG2-ND2 2.91Å; N133-N196 PolarHBondContact O-N 2.83Å; F134-N196 CarbonylContact C-O 3.46Å; F134-N196 WeakPolarHBondContact CA-O 3.38Å; F134-N196 HydrophobicContact CD1-CB 3.85Å; F134-N196 HydrophobicContact CE1-CB 4.11Å; R135-N196 PolarHBondContact N-O 2.92Å; P193-N196 VanDerWaalsContact CD-OD1 3.29Å; P193-N196 WeakPolarHBondContact CD-OD1 3.4Å; P193-N196 WeakPolarHBondContact CG-OD1 3.45Å; P193-N196 PolarHBondContact O-ND2 3.32Å
197	S	83.4	Confident	75.1	Confident	77 Å²	77	65.3 Å²	65.3	54%	0.538	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.5	170.9	-54.9	0	0	0	0	108.7	R135	R135-S197 CarbonylContact O-C 3.6Å; R135-S197 WeakPolarHBondContact O-CA 3.24Å
198	L	85.1	Confident	73.2	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	163	175.2	-60.1	178.5	0	0	0	109.1	F134 R135 V136 E137 L173 K174 W176	F134-L198 HydrophobicContact CD1-CD1 3.6Å; F134-L198 HydrophobicContact CD1-CG 4.11Å; F134-L198 HydrophobicContact CE1-CD1 4.16Å; F134-L198 HydrophobicContact CG-CD1 4.46Å; R135-L198 PolarHBondContact O-N 3.27Å; V136-L198 WeakPolarHBondContact CA-O 3.43Å; V136-L198 HydrophobicContact CG1-CB 4.36Å; V136-L198 HydrophobicContact CG2-CB 4.34Å; E137-L198 PolarHBondContact N-O 3.14Å; L173-L198 HydrophobicContact CD2-CB 4.44Å; L173-L198 HydrophobicContact CD2-CD1 4.36Å; K174-L198 CarbonylContact O-C 3.57Å; K174-L198 VanDerWaalsContact O-CA 3.28Å; K174-L198 WeakPolarHBondContact O-CA 3.38Å; K174-L198 WeakPolarHBondContact O-CB 3.46Å; W176-L198 HydrophobicContact CD2-CD2 3.83Å; W176-L198 HydrophobicContact CE3-CD1 4.4Å; W176-L198 HydrophobicContact CE3-CD2 3.84Å; W176-L198 HydrophobicContact CG-CD2 4.34Å; W176-L198 HydrophobicContact CH2-CD1 3.52Å; W176-L198 HydrophobicContact CH2-CD2 4.38Å; W176-L198 HydrophobicContact CZ2-CD1 3.8Å; W176-L198 HydrophobicContact CZ2-CD2 4.37Å; W176-L198 HydrophobicContact CZ3-CD1 3.86Å; W176-L198 HydrophobicContact CZ3-CD2 4.13Å
199	Y	81	Confident	71.3	Confident	111 Å²	111	67.3 Å²	67.3	44%	0.435	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	144	171.3	54.3	-85.5	0	0	0	110.8	E137 K174 L201	E137-Y199 VanDerWaalsContact O-CA 3.24Å; E137-Y199 WeakPolarHBondContact O-CA 3.48Å; K174-Y199 HydrophobicContact CB-CD2 4.02Å; K174-Y199 HydrophobicContact CB-CE1 4.13Å; K174-Y199 HydrophobicContact CB-CE2 3.45Å; K174-Y199 VanDerWaalsContact CB-CE2 3.45Å; K174-Y199 VanDerWaalsContact CB-CZ 3.5Å; K174-Y199 HydrophobicContact CD-CE2 4.33Å; K174-Y199 HydrophobicContact CG-CE2 4.41Å; K174-Y199 PolarHBondContact N-O 3.47Å; K174-Y199 PolarHBondContact O-N 2.76Å; Y199-L201 HydrophobicContact CD2-CD2 4.15Å; Y199-L201 HydrophobicContact CD2-CG 4.15Å; Y199-L201 HydrophobicContact CE2-CD1 4.27Å; Y199-L201 HydrophobicContact CE2-CD2 4.43Å; Y199-L201 HydrophobicContact CE2-CG 4.26Å
200	V	84.3	Confident	69.3	Low	6 Å²	6	65.3 Å²	65.3	4%	0.036	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.5	178.9	172.8	0	0	0	0	109.5	V136 E137 Y138 L160 L164 M171 L173 T202	V136-V200 HydrophobicContact CG1-CG2 3.77Å; E137-V200 PolarHBondContact O-N 2.76Å; Y138-V200 HydrophobicContact CD2-CB 3.73Å; Y138-V200 HydrophobicContact CD2-CG1 3.81Å; Y138-V200 WeakPolarHBondContact CD2-O 3.05Å; Y138-V200 HydrophobicContact CE2-CB 4.48Å; Y138-V200 HydrophobicContact CE2-CG1 4.1Å; Y138-V200 HydrophobicContact CG-CB 4.37Å; L160-V200 HydrophobicContact CD1-CG2 4.09Å; L164-V200 HydrophobicContact CD1-CG2 4.46Å; M171-V200 HydrophobicContact CB-CG1 4.04Å; M171-V200 HydrophobicContact CG-CG1 3.86Å; M171-V200 HydrophobicContact SD-CG1 4.08Å; M171-V200 HydrophobicContact SD-CG2 4.49Å; L173-V200 HydrophobicContact CD2-CG2 3.65Å; V200-T202 HydrophobicContact CG1-CG2 4.11Å
201	L	77.2	Confident	67.3	Low	74 Å²	74	68.3 Å²	68.3	39%	0.387	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.5	166	-60	-178.6	0	0	0	110	H172 K174 Y199	H172-L201 HydrophobicContact CB-CB 4.33Å; H172-L201 WeakPolarHBondContact CB-O 3.34Å; H172-L201 PolarHBondContact N-O 3.45Å; H172-L201 PolarHBondContact O-N 3.43Å; K174-L201 HydrophobicContact CD-CD1 3.82Å; K174-L201 HydrophobicContact CG-CD1 4.48Å; Y199-L201 HydrophobicContact CD2-CD2 4.15Å; Y199-L201 HydrophobicContact CD2-CG 4.15Å; Y199-L201 HydrophobicContact CE2-CD1 4.27Å; Y199-L201 HydrophobicContact CE2-CD2 4.43Å; Y199-L201 HydrophobicContact CE2-CG 4.26Å
202	T	78.6	Confident	65.5	Low	20 Å²	20	65 Å²	65	12%	0.123	39%	0.387	C	S	.	.			trans	-128.6	74.3	179.7	52.3	0	0	0	0	110	Y138 I166 V200 I205	Y138-T202 HydrophobicContact CE2-CG2 3.93Å; Y138-T202 PolarHBondContact OH-OG1 2.89Å; Y138-T202 VanDerWaalsContact OH-OG1 3.07Å; I166-T202 HydrophobicContact CD1-CG2 4.19Å; I166-T202 HydrophobicContact CG2-CG2 3.99Å; V200-T202 HydrophobicContact CG1-CG2 4.11Å; T202-I205 HydrophobicContact CG2-CD1 4.04Å; T202-I205 PolarHBondContact O-N 2.65Å
203	P	62.8	Low	63.6	Low	85 Å²	85	73.7 Å²	73.7	55%	0.552	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.8	-172.7	27.2	-33.9	0	0	0	113	H172 I205	H172-P203 VanDerWaalsContact ND1-CD 3.34Å; H172-P203 WeakPolarHBondContact ND1-CD 3.36Å; P203-I205 PolarHBondContact O-N 3.13Å
204	D	55.5	Low	61.9	Low	108 Å²	108	76.8 Å²	76.8	58%	0.578	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	26.2	176.6	-47.7	-70.6	0	0	0	113.1	K170 H172	K170-D204 PolarHBondContact NZ-O 3.35Å; H172-D204 IonicContact CE1-OD2 3.11Å
205	I	57.9	Low	60.3	Low	19 Å²	19	71 Å²	71	10%	0.097	42%	0.415	C	S	.	.	S	Bend	trans	-137.9	112.9	175.5	-53.6	-170.1	0	0	0	106.4	I166 K170 T202 P203 A209	I166-I205 HydrophobicContact CG2-CD1 4.03Å; K170-I205 HydrophobicContact CB-CD1 4.05Å; K170-I205 HydrophobicContact CB-CG1 4.35Å; K170-I205 HydrophobicContact CD-CD1 3.7Å; K170-I205 HydrophobicContact CD-CG1 3.6Å; T202-I205 HydrophobicContact CG2-CD1 4.04Å; T202-I205 PolarHBondContact O-N 2.65Å; P203-I205 PolarHBondContact O-N 3.13Å; I205-A209 HydrophobicContact CG2-CB 3.58Å; I205-A209 WeakPolarHBondContact CG2-O 3.44Å
206	A	53.3	Low	58.7	Low	57 Å²	57	68.6 Å²	68.6	47%	0.471	41%	0.41	S	S	.	.			trans	-54.1	154	171.4	0	0	0	0	0	110.3	T208 A209	A206-T208 PolarHBondContact O-N 2.95Å; A206-A209 HydrophobicContact CB-CB 4.15Å; A206-A209 PolarHBondContact O-N 2.91Å
207	P	49.4	Very low	57.3	Low	109 Å²	109	71.8 Å²	71.8	71%	0.708	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-25.6	-174.7	-30.3	36.6	0	0	0	115.2	R139	R139-P207 VanDerWaalsContact CZ-O 3.28Å; R139-P207 PolarHBondContact NH1-O 3.36Å; R139-P207 PolarHBondContact NH2-O 3.18Å
208	T	45.1	Very low	56	Low	114 Å²	114	73.8 Å²	73.8	70%	0.699	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	4.9	179.1	48.8	0	0	0	0	115.6	A206	A206-T208 PolarHBondContact O-N 2.95Å
209	A	43	Very low	54.8	Low	59 Å²	59	77.5 Å²	77.5	49%	0.488	45%	0.447	S	S	.	.			trans	-111.6	19.8	-165	0	0	0	0	0	116.2	I205 A206	I205-A209 HydrophobicContact CG2-CB 3.58Å; I205-A209 WeakPolarHBondContact CG2-O 3.44Å; A206-A209 HydrophobicContact CB-CB 4.15Å; A206-A209 PolarHBondContact O-N 2.91Å
210	S	41.1	Very low	53.8	Low	31 Å²	31	73.1 Å²	73.1	22%	0.217	43%	0.433	C	S	.	.	S	Bend	trans	-117.5	51.7	173.9	67.2	0	0	0	0	112.6	Y138 R139	Y138-S210 PolarHBondContact OH-OG 3.28Å; R139-S210 PolarHBondContact NH2-OG 3.5Å
211	T	36.3	Very low	53.1	Low	86 Å²	86	75 Å²	75	53%	0.528	44%	0.442	S	S	.	.	S	Bend	trans	-150.3	156	170.5	1	0	0	0	0	109.9	S215	T211-S215 WeakPolarHBondContact CB-OG 3.46Å; T211-S215 WeakPolarHBondContact CG2-OG 3.3Å; T211-S215 PolarHBondContact OG1-OG 2.72Å
212	S	38.7	Very low	52.6	Low	94 Å²	94	77.3 Å²	77.3	66%	0.657	46%	0.455	S	S	*	.			trans	-52.2	153.6	170.7	-54.8	0	0	0	0	111.1	N214 S215	S212-N214 PolarHBondContact O-N 2.88Å; S212-S215 PolarHBondContact O-N 3.16Å
213	K	40.9	Very low	52.6	Low	187 Å²	187	79.5 Å²	79.5	81%	0.813	46%	0.464	S	S	*	.	H	α-helix	trans	-51.8	-22.2	-178.4	-70.4	-176.3	176.5	-179.2	0	114.2
214	N	43.5	Very low	53.3	Low	119 Å²	119	79.6 Å²	79.6	64%	0.636	46%	0.46	S	S	*	.	H	α-helix	trans	-66.5	-35.7	173.6	-65.9	11.6	0	0	0	114.2	S212 L217 Q218	S212-N214 PolarHBondContact O-N 2.88Å; N214-L217 PolarHBondContact O-N 2.89Å; N214-Q218 PolarHBondContact O-N 2.91Å
215	S	45.7	Very low	54.6	Low	17 Å²	17	75 Å²	75	12%	0.119	44%	0.435	C	S	.	.	H	α-helix	trans	-75.5	-38.9	179.1	119.6	0	0	0	0	111.9	T211 S212 L217 Q218 D219	T211-S215 WeakPolarHBondContact CB-OG 3.46Å; T211-S215 WeakPolarHBondContact CG2-OG 3.3Å; T211-S215 PolarHBondContact OG1-OG 2.72Å; S212-S215 PolarHBondContact O-N 3.16Å; S215-L217 CarbonylContact O-C 3.52Å; S215-L217 PolarHBondContact O-N 2.6Å; S215-Q218 CarbonylContact O-C 3.47Å; S215-Q218 PolarHBondContact O-N 3.08Å; S215-D219 VanDerWaalsContact C-OD2 3.31Å; S215-D219 VanDerWaalsContact O-CB 3.24Å; S215-D219 WeakPolarHBondContact O-CB 3.49Å; S215-D219 PolarHBondContact O-N 2.97Å; S215-D219 PolarHBondContact OG-OD2 2.74Å
216	A	48	Very low	55.8	Low	56 Å²	56	77.4 Å²	77.4	46%	0.463	45%	0.447	S	S	.	.	H	α-helix	trans	-54.5	-31.2	173	0	0	0	0	0	111.7	S220	A216-S220 WeakPolarHBondContact O-CB 3.38Å; A216-S220 PolarHBondContact O-N 2.77Å; A216-S220 PolarHBondContact O-OG 3.02Å
217	L	53.1	Low	57.4	Low	75 Å²	75	74.7 Å²	74.7	39%	0.393	43%	0.425	S	S	.	.	H	α-helix	trans	-75.3	-53	168.7	-63.7	-178.9	0	0	0	112.9	N214 S215 D219 S220 L221 L284	N214-L217 PolarHBondContact O-N 2.89Å; S215-L217 CarbonylContact O-C 3.52Å; S215-L217 PolarHBondContact O-N 2.6Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-D219 PolarHBondContact O-N 3.43Å; L217-S220 WeakPolarHBondContact CA-OG 3.3Å; L217-S220 CarbonylContact O-C 3.6Å; L217-S220 WeakPolarHBondContact O-CA 3.19Å; L217-S220 PolarHBondContact O-N 3.45Å; L217-S220 PolarHBondContact O-OG 3Å; L217-L221 VanDerWaalsContact O-CG 3.24Å; L217-L221 WeakPolarHBondContact O-CG 3.5Å; L217-L221 PolarHBondContact O-N 3.04Å; L217-L284 HydrophobicContact CD2-CD2 3.62Å
218	Q	56.4	Low	59.1	Low	120 Å²	120	71.1 Å²	71.1	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-56.3	-43.8	177.3	-73.9	-177.7	-50.5	0	0	113.3	N214 S215 S220 L221 N222	N214-Q218 PolarHBondContact O-N 2.91Å; S215-Q218 CarbonylContact O-C 3.47Å; S215-Q218 PolarHBondContact O-N 3.08Å; Q218-S220 PolarHBondContact O-N 3.41Å; Q218-L221 PolarHBondContact O-N 2.94Å; Q218-N222 VanDerWaalsContact O-CB 3.32Å; Q218-N222 WeakPolarHBondContact O-CB 3.46Å; Q218-N222 VanDerWaalsContact O-CG 3.25Å; Q218-N222 PolarHBondContact O-N 2.89Å; Q218-N222 PolarHBondContact O-ND2 3.18Å
219	D	58.3	Low	61.3	Low	81 Å²	81	65.7 Å²	65.7	43%	0.433	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-32.7	175.2	-65.7	-50	0	0	0	111.3	S215 L217 Q223	S215-D219 VanDerWaalsContact C-OD2 3.31Å; S215-D219 VanDerWaalsContact O-CB 3.24Å; S215-D219 WeakPolarHBondContact O-CB 3.49Å; S215-D219 PolarHBondContact O-N 2.97Å; S215-D219 PolarHBondContact OG-OD2 2.74Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-D219 PolarHBondContact O-N 3.43Å; D219-Q223 VanDerWaalsContact O-CG 3.28Å; D219-Q223 WeakPolarHBondContact O-CG 3.34Å; D219-Q223 PolarHBondContact O-N 3.44Å; D219-Q223 PolarHBondContact O-NE2 2.75Å
220	S	61.1	Low	63.3	Low	19 Å²	19	64.2 Å²	64.2	13%	0.133	35%	0.354	C	S	.	.	H	α-helix	trans	-79.7	-33.6	173.1	72.4	0	0	0	0	113.5	A216 L217 Q218 N222 Q223 A283	A216-S220 WeakPolarHBondContact O-CB 3.38Å; A216-S220 PolarHBondContact O-N 2.77Å; A216-S220 PolarHBondContact O-OG 3.02Å; L217-S220 WeakPolarHBondContact CA-OG 3.3Å; L217-S220 CarbonylContact O-C 3.6Å; L217-S220 WeakPolarHBondContact O-CA 3.19Å; L217-S220 PolarHBondContact O-N 3.45Å; L217-S220 PolarHBondContact O-OG 3Å; Q218-S220 PolarHBondContact O-N 3.41Å; S220-N222 VanDerWaalsContact C-N 3.29Å; S220-Q223 WeakPolarHBondContact O-CB 3.47Å; S220-Q223 PolarHBondContact O-N 3.4Å; S220-A283 WeakPolarHBondContact O-CB 3.34Å
221	L	68.6	Low	65.5	Low	45 Å²	45	63.3 Å²	63.3	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-69.4	-30.4	174.3	-66.6	162.5	0	0	0	111.1	L217 Q218 G244 S245 T281 A283	L217-L221 VanDerWaalsContact O-CG 3.24Å; L217-L221 WeakPolarHBondContact O-CG 3.5Å; L217-L221 PolarHBondContact O-N 3.04Å; Q218-L221 PolarHBondContact O-N 2.94Å; L221-G244 CarbonylContact O-C 3.52Å; L221-G244 PolarHBondContact O-N 3Å; L221-G244 VanDerWaalsContact O-N 3.12Å; L221-S245 WeakPolarHBondContact O-CB 3.32Å; L221-S245 PolarHBondContact O-N 2.74Å; L221-S245 PolarHBondContact O-OG 3.27Å; L221-T281 HydrophobicContact CD2-CG2 4.18Å; L221-A283 HydrophobicContact CD2-CB 3.92Å; L221-A283 HydrophobicContact CG-CB 4.25Å
222	N	67.2	Low	67.7	Low	122 Å²	122	65.4 Å²	65.4	65%	0.652	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.5	174.7	-65.9	-17.7	0	0	0	113.4	Q218 S220	Q218-N222 VanDerWaalsContact O-CB 3.32Å; Q218-N222 WeakPolarHBondContact O-CB 3.46Å; Q218-N222 VanDerWaalsContact O-CG 3.25Å; Q218-N222 PolarHBondContact O-N 2.89Å; Q218-N222 PolarHBondContact O-ND2 3.18Å; S220-N222 VanDerWaalsContact C-N 3.29Å
223	Q	77.6	Confident	69.6	Low	66 Å²	66	66.2 Å²	66.2	31%	0.308	34%	0.338	S	S	.	.	S	Bend	trans	-76.9	136.6	173.7	-95.6	161.4	77.6	0	0	111	D219 S220 F225 P243 G244 Y289	D219-Q223 VanDerWaalsContact O-CG 3.28Å; D219-Q223 WeakPolarHBondContact O-CG 3.34Å; D219-Q223 PolarHBondContact O-N 3.44Å; D219-Q223 PolarHBondContact O-NE2 2.75Å; S220-Q223 WeakPolarHBondContact O-CB 3.47Å; S220-Q223 PolarHBondContact O-N 3.4Å; Q223-F225 HydrophobicContact CB-CE2 4.05Å; Q223-F225 VanDerWaalsContact O-CD2 3.32Å; Q223-F225 WeakPolarHBondContact O-CD2 3.49Å; Q223-P243 CarbonylContact O-C 3.35Å; Q223-P243 WeakPolarHBondContact O-CA 3.18Å; Q223-G244 PolarHBondContact O-N 2.8Å; Q223-Y289 HydrophobicContact CB-CE2 4.09Å; Q223-Y289 HydrophobicContact CG-CE2 4.03Å
224	N	78.8	Confident	71.4	Confident	87 Å²	87	60 Å²	60	47%	0.465	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.8	176.8	-90.9	-24.7	0	0	0	110.5	N241	N224-N241 VanDerWaalsContact CB-OD1 3.26Å; N224-N241 WeakPolarHBondContact CB-OD1 3.38Å
225	F	82.3	Confident	73.2	Confident	12 Å²	12	62 Å²	62	5%	0.053	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.3	179.2	-68.6	-100.3	0	0	0	110.5	Q223 L227 N241 F242 I287 Y289	Q223-F225 HydrophobicContact CB-CE2 4.05Å; Q223-F225 VanDerWaalsContact O-CD2 3.32Å; Q223-F225 WeakPolarHBondContact O-CD2 3.49Å; F225-L227 PolarHBondContact O-N 3.15Å; F225-N241 PolarHBondContact N-OD1 2.86Å; F225-N241 WeakPolarHBondContact O-CA 3.33Å; F225-N241 PolarHBondContact O-OD1 2.93Å; F225-F242 PolarHBondContact N-O 3.38Å; F225-F242 PolarHBondContact O-N 2.82Å; F225-I287 HydrophobicContact CB-CD1 3.97Å; F225-I287 HydrophobicContact CD1-CD1 3.44Å; F225-I287 VanDerWaalsContact CD1-CD1 3.44Å; F225-I287 HydrophobicContact CD1-CG1 3.83Å; F225-I287 HydrophobicContact CE1-CD1 4.02Å; F225-I287 HydrophobicContact CE1-CG1 3.93Å; F225-I287 HydrophobicContact CG-CD1 3.77Å; F225-Y289 HydrophobicContact CD1-CD2 4.04Å; F225-Y289 AromaticContact CE1-CD2 3.85Å; F225-Y289 HydrophobicContact CE1-CD2 3.85Å; F225-Y289 HydrophobicContact CE1-CG 4.4Å; F225-Y289 HydrophobicContact CZ-CD2 4.17Å
226	L	84	Confident	74.7	Confident	69 Å²	69	68.6 Å²	68.6	36%	0.361	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	103.1	174.1	-178.9	64.2	0	0	0	110.2	V228 P290 C291 H292	L226-V228 HydrophobicContact CG-CG2 4.31Å; L226-P290 PolarHBondContact N-O 3.36Å; L226-C291 HydrophobicContact CB-CB 4.01Å; L226-C291 HydrophobicContact CD2-CB 4.23Å; L226-C291 HydrophobicContact CG-CB 4.36Å; L226-C291 CarbonylContact O-C 3.53Å; L226-C291 WeakPolarHBondContact O-CA 3.49Å; L226-H292 PolarHBondContact O-N 3.01Å
227	L	86.9	Confident	76.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118	171.4	-59	-172.8	0	0	0	109.6	F225 I229 L240 F242 V251 W271 L282 I287 H292 L294	F225-L227 PolarHBondContact O-N 3.15Å; L227-I229 HydrophobicContact CB-CD1 3.9Å; L227-I229 HydrophobicContact CB-CG1 3.97Å; L227-I229 HydrophobicContact CD1-CD1 4.45Å; L227-L240 PolarHBondContact N-O 3.24Å; L227-L240 PolarHBondContact O-N 2.89Å; L227-F242 HydrophobicContact CB-CD2 4.26Å; L227-F242 HydrophobicContact CB-CE2 4.39Å; L227-F242 HydrophobicContact CD1-CD2 3.68Å; L227-F242 HydrophobicContact CD1-CE2 4.01Å; L227-F242 HydrophobicContact CG-CD2 3.98Å; L227-F242 HydrophobicContact CG-CE2 4.48Å; L227-V251 HydrophobicContact CD1-CG1 3.76Å; L227-V251 HydrophobicContact CD1-CG2 4.13Å; L227-W271 HydrophobicContact CD1-CH2 4.47Å; L227-L282 HydrophobicContact CD1-CD1 4.28Å; L227-L282 HydrophobicContact CD1-CD2 4.31Å; L227-I287 HydrophobicContact CD2-CD1 3.85Å; L227-H292 WeakPolarHBondContact CA-O 3.47Å; L227-H292 HydrophobicContact CD2-CB 4.01Å; L227-L294 HydrophobicContact CD1-CD1 4.27Å; L227-L294 HydrophobicContact CD2-CD1 4.48Å
228	V	84.9	Confident	77.5	Confident	35 Å²	35	68.6 Å²	68.6	21%	0.212	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	106.4	172.6	-177.1	0	0	0	0	107.7	L226 H292 H293 L294	L226-V228 HydrophobicContact CG-CG2 4.31Å; V228-H292 PolarHBondContact N-O 3.33Å; V228-H293 WeakPolarHBondContact O-CA 3.28Å; V228-H293 PolarHBondContact O-ND1 2.84Å; V228-L294 PolarHBondContact O-N 2.99Å
229	I	90	Very high	78.8	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.3	-166.8	-56.9	172.9	0	0	0	109.3	L227 Y238 V251 I255 W268 L294 V296	L227-I229 HydrophobicContact CB-CD1 3.9Å; L227-I229 HydrophobicContact CB-CG1 3.97Å; L227-I229 HydrophobicContact CD1-CD1 4.45Å; I229-Y238 PolarHBondContact N-O 3.16Å; I229-Y238 PolarHBondContact O-N 3.12Å; I229-V251 HydrophobicContact CD1-CG1 4.29Å; I229-I255 HydrophobicContact CB-CD1 4.24Å; I229-I255 HydrophobicContact CD1-CD1 3.75Å; I229-I255 HydrophobicContact CD1-CG1 3.76Å; I229-I255 HydrophobicContact CG2-CD1 3.99Å; I229-W268 HydrophobicContact CD1-CH2 4.16Å; I229-W268 HydrophobicContact CD1-CZ3 4.31Å; I229-W268 HydrophobicContact CG1-CZ3 4.44Å; I229-W268 HydrophobicContact CG2-CH2 3.89Å; I229-W268 HydrophobicContact CG2-CZ3 3.71Å; I229-L294 CarbonylContact C-O 3.56Å; I229-L294 WeakPolarHBondContact CA-O 3.22Å; I229-L294 HydrophobicContact CG1-CB 4.28Å; I229-L294 HydrophobicContact CG1-CD1 4.36Å; I229-V296 HydrophobicContact CG2-CG1 4.01Å
230	S	85.5	Confident	79.9	Confident	27 Å²	27	64.7 Å²	64.7	19%	0.189	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.8	179.9	-164.8	0	0	0	0	111.7	R232 D237 L294 S295 V296	S230-R232 PolarHBondContact O-N 3.44Å; S230-D237 VanDerWaalsContact CA-OD1 3.27Å; S230-D237 WeakPolarHBondContact CA-OD1 3.26Å; S230-D237 WeakPolarHBondContact CB-OD1 3.18Å; S230-D237 PolarHBondContact OG-OD1 2.77Å; S230-L294 PolarHBondContact N-O 3.47Å; S230-S295 CarbonylContact O-C 3.57Å; S230-S295 VanDerWaalsContact O-CA 3.26Å; S230-S295 WeakPolarHBondContact O-CA 3.5Å; S230-S295 WeakPolarHBondContact O-CB 3.38Å; S230-V296 PolarHBondContact O-N 2.96Å
231	H	88.1	Confident	80.9	Confident	13 Å²	13	68.2 Å²	68.2	6%	0.06	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	104.8	175	-176.9	-167.7	0	0	0	109.7	E233 A234 Q235 R236 Y238 T259 I261 V296	H231-E233 PolarHBondContact O-N 3.36Å; H231-A234 HydrophobicContact CB-CB 4.43Å; H231-A234 VanDerWaalsContact ND1-CB 3.33Å; H231-A234 WeakPolarHBondContact ND1-CB 3.46Å; H231-A234 PolarHBondContact O-N 3.16Å; H231-Q235 PolarHBondContact O-N 2.97Å; H231-R236 WeakPolarHBondContact CB-O 3.37Å; H231-R236 PolarHBondContact N-O 2.83Å; H231-R236 PolarHBondContact O-N 2.87Å; H231-Y238 HydrophobicContact CB-CD2 4.35Å; H231-Y238 HydrophobicContact CB-CE2 3.84Å; H231-T259 HydrophobicContact CB-CG2 4.38Å; H231-I261 WeakPolarHBondContact NE2-CD1 3.47Å; H231-V296 HydrophobicContact CB-CG1 4.3Å
232	R	81.9	Confident	81.7	Confident	129 Å²	129	67 Å²	67	49%	0.487	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.3	-167.4	-151.3	-179.1	-156	140.9	10.1	113.8	S230 Q235 E269 V296 C297	S230-R232 PolarHBondContact O-N 3.44Å; R232-Q235 PolarHBondContact O-NE2 3.44Å; R232-E269 IonicContact CZ-OE2 2.76Å; R232-E269 IonicContact NH1-OE1 3.64Å; R232-E269 PolarHBondContact NH1-OE1 3.5Å; R232-E269 IonicContact NH1-OE2 3.68Å; R232-E269 PolarHBondContact NH1-OE2 2.84Å; R232-E269 IonicContact NH2-OE2 3.03Å; R232-V296 PolarHBondContact N-O 3.12Å; R232-C297 HydrophobicContact CB-CB 4.07Å
233	E	78.9	Confident	82.5	Confident	112 Å²	112	63.3 Å²	63.3	52%	0.523	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-41.1	178.3	-82.5	146.7	-105.9	0	0	112.7	H231 Q235 C297 R298	H231-E233 PolarHBondContact O-N 3.36Å; E233-Q235 VanDerWaalsContact C-N 3.33Å; E233-C297 WeakPolarHBondContact OE1-CA 3.22Å; E233-C297 WeakPolarHBondContact OE1-CB 3.49Å; E233-R298 WeakPolarHBondContact OE1-CB 3.49Å; E233-R298 PolarHBondContact OE1-N 3.38Å; E233-R298 WeakPolarHBondContact OE2-CB 3.25Å
234	A	79.3	Confident	82.7	Confident	56 Å²	56	60.1 Å²	60.1	46%	0.463	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-4.3	179.7	0	0	0	0	0	114.3	H231 R236	H231-A234 HydrophobicContact CB-CB 4.43Å; H231-A234 VanDerWaalsContact ND1-CB 3.33Å; H231-A234 WeakPolarHBondContact ND1-CB 3.46Å; H231-A234 PolarHBondContact O-N 3.16Å; A234-R236 HydrophobicContact CB-CB 4.2Å; A234-R236 PolarHBondContact O-N 2.78Å
235	Q	79.6	Confident	82.9	Confident	161 Å²	161	58.7 Å²	58.7	75%	0.752	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	44.6	-172.9	-66.4	-69.9	-70.9	0	0	112.2	H231 R232 E233	H231-Q235 PolarHBondContact O-N 2.97Å; R232-Q235 PolarHBondContact O-NE2 3.44Å; E233-Q235 VanDerWaalsContact C-N 3.33Å
236	R	77.1	Confident	83.1	Confident	156 Å²	156	62 Å²	62	59%	0.589	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.3	-170.9	-170.2	179.3	-170.9	-173.4	4	112	H231 A234 Y238	H231-R236 WeakPolarHBondContact CB-O 3.37Å; H231-R236 PolarHBondContact N-O 2.83Å; H231-R236 PolarHBondContact O-N 2.87Å; A234-R236 HydrophobicContact CB-CB 4.2Å; A234-R236 PolarHBondContact O-N 2.78Å; R236-Y238 HydrophobicContact CB-CE2 4.23Å; R236-Y238 HydrophobicContact CG-CE2 4.1Å; R236-Y238 WeakPolarHBondContact O-CD2 3.35Å
237	D	81.1	Confident	83.5	Confident	98 Å²	98	60.1 Å²	60.1	52%	0.524	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.5	177.1	-61.2	-20.4	0	0	0	111.5	S230	S230-D237 VanDerWaalsContact CA-OD1 3.27Å; S230-D237 WeakPolarHBondContact CA-OD1 3.26Å; S230-D237 WeakPolarHBondContact CB-OD1 3.18Å; S230-D237 PolarHBondContact OG-OD1 2.77Å
238	Y	79.6	Confident	83.6	Confident	32 Å²	32	60.2 Å²	60.2	13%	0.125	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.4	178.2	-64.2	-108.7	0	0	0	108.8	I229 H231 R236 L258 T259	I229-Y238 PolarHBondContact N-O 3.16Å; I229-Y238 PolarHBondContact O-N 3.12Å; H231-Y238 HydrophobicContact CB-CD2 4.35Å; H231-Y238 HydrophobicContact CB-CE2 3.84Å; R236-Y238 HydrophobicContact CB-CE2 4.23Å; R236-Y238 HydrophobicContact CG-CE2 4.1Å; R236-Y238 WeakPolarHBondContact O-CD2 3.35Å; Y238-L258 HydrophobicContact CD1-CB 4.25Å; Y238-L258 HydrophobicContact CD1-CD1 4.37Å; Y238-L258 HydrophobicContact CE1-CB 3.9Å; Y238-L258 PolarHBondContact OH-O 3.44Å; Y238-T259 HydrophobicContact CE2-CG2 4.39Å
239	S	84.9	Confident	83.8	Confident	81 Å²	81	63.2 Å²	63.2	57%	0.566	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	104.3	175.5	-66	0	0	0	0	109.6
240	L	81.3	Confident	83.7	Confident	39 Å²	39	66.2 Å²	66.2	20%	0.204	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.4	-173.6	-60	177	0	0	0	110.7	L227 F242 I255 L258	L227-L240 PolarHBondContact N-O 3.24Å; L227-L240 PolarHBondContact O-N 2.89Å; L240-F242 HydrophobicContact CB-CD2 4.2Å; L240-F242 HydrophobicContact CB-CE2 3.48Å; L240-F242 VanDerWaalsContact CB-CE2 3.48Å; L240-F242 HydrophobicContact CB-CZ 3.95Å; L240-F242 HydrophobicContact CD1-CE2 4.02Å; L240-F242 HydrophobicContact CD1-CZ 3.88Å; L240-F242 HydrophobicContact CG-CE2 4.42Å; L240-I255 HydrophobicContact CD1-CD1 3.72Å; L240-I255 HydrophobicContact CD1-CG1 4.28Å; L240-L258 HydrophobicContact CD1-CD1 3.52Å; L240-L258 HydrophobicContact CD2-CD1 4.13Å; L240-L258 HydrophobicContact CG-CD1 4.45Å
241	N	81.6	Confident	83.9	Confident	93 Å²	93	65 Å²	65	50%	0.497	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.6	179.1	-174.2	20.8	0	0	0	110	N224 F225	N224-N241 VanDerWaalsContact CB-OD1 3.26Å; N224-N241 WeakPolarHBondContact CB-OD1 3.38Å; F225-N241 PolarHBondContact N-OD1 2.86Å; F225-N241 WeakPolarHBondContact O-CA 3.33Å; F225-N241 PolarHBondContact O-OD1 2.93Å
242	F	84.3	Confident	84	Confident	20 Å²	20	65.7 Å²	65.7	9%	0.088	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.8	179.4	-63.6	-81.7	0	0	0	110.4	F225 L227 L240 V251 N254 L282	F225-F242 PolarHBondContact N-O 3.38Å; F225-F242 PolarHBondContact O-N 2.82Å; L227-F242 HydrophobicContact CB-CD2 4.26Å; L227-F242 HydrophobicContact CB-CE2 4.39Å; L227-F242 HydrophobicContact CD1-CD2 3.68Å; L227-F242 HydrophobicContact CD1-CE2 4.01Å; L227-F242 HydrophobicContact CG-CD2 3.98Å; L227-F242 HydrophobicContact CG-CE2 4.48Å; L240-F242 HydrophobicContact CB-CD2 4.2Å; L240-F242 HydrophobicContact CB-CE2 3.48Å; L240-F242 VanDerWaalsContact CB-CE2 3.48Å; L240-F242 HydrophobicContact CB-CZ 3.95Å; L240-F242 HydrophobicContact CD1-CE2 4.02Å; L240-F242 HydrophobicContact CD1-CZ 3.88Å; L240-F242 HydrophobicContact CG-CE2 4.42Å; F242-V251 HydrophobicContact CD1-CG2 4.1Å; F242-V251 HydrophobicContact CD2-CG2 4.11Å; F242-V251 HydrophobicContact CE1-CG2 4.2Å; F242-V251 HydrophobicContact CE2-CG1 4.08Å; F242-V251 HydrophobicContact CE2-CG2 4.19Å; F242-V251 HydrophobicContact CG-CG2 4.05Å; F242-V251 HydrophobicContact CZ-CG1 4.26Å; F242-V251 HydrophobicContact CZ-CG2 4.24Å; F242-N254 HydrophobicContact CE1-CB 4.28Å; F242-N254 HydrophobicContact CZ-CB 4.37Å; F242-L282 HydrophobicContact CB-CD1 3.51Å; F242-L282 HydrophobicContact CG-CD1 4.28Å
243	P	83.9	Confident	84.3	Confident	43 Å²	43	66.5 Å²	66.5	28%	0.279	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.3	170.8	29.8	-33.5	0	0	0	109.8	Q223 S245 K246	Q223-P243 CarbonylContact O-C 3.35Å; Q223-P243 WeakPolarHBondContact O-CA 3.18Å; P243-S245 PolarHBondContact O-N 3.38Å; P243-K246 HydrophobicContact CG-CG 4.04Å; P243-K246 WeakPolarHBondContact O-CB 3.34Å; P243-K246 PolarHBondContact O-N 2.89Å
244	G	82.6	Confident	84.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.4	-176	0	0	0	0	0	114.8	L221 Q223 K246 T281 L282 A283	L221-G244 CarbonylContact O-C 3.52Å; L221-G244 PolarHBondContact O-N 3Å; L221-G244 VanDerWaalsContact O-N 3.12Å; Q223-G244 PolarHBondContact O-N 2.8Å; G244-K246 VanDerWaalsContact C-N 3.32Å; G244-T281 WeakPolarHBondContact O-CB 3.32Å; G244-L282 PolarHBondContact O-N 2.95Å; G244-A283 WeakPolarHBondContact O-CB 3.38Å; G244-A283 PolarHBondContact O-N 3.41Å
245	S	83.9	Confident	85.1	Confident	57 Å²	57	61.5 Å²	61.5	40%	0.399	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.3	173.3	55.7	0	0	0	0	114.4	L221 P243	L221-S245 WeakPolarHBondContact O-CB 3.32Å; L221-S245 PolarHBondContact O-N 2.74Å; L221-S245 PolarHBondContact O-OG 3.27Å; P243-S245 PolarHBondContact O-N 3.38Å
246	K	86.3	Confident	85.4	Confident	81 Å²	81	54.8 Å²	54.8	35%	0.352	27%	0.273	S	S	.	.	S	Bend	trans	-67.3	143.8	175.8	-75.4	-67.2	176.5	-162.4	0	111.7	P243 G244 E250 T281 L282	P243-K246 HydrophobicContact CG-CG 4.04Å; P243-K246 WeakPolarHBondContact O-CB 3.34Å; P243-K246 PolarHBondContact O-N 2.89Å; G244-K246 VanDerWaalsContact C-N 3.32Å; K246-E250 HydrophobicContact CD-CB 4.17Å; K246-E250 VanDerWaalsContact CD-CD 3.45Å; K246-E250 HydrophobicContact CD-CG 4.44Å; K246-E250 WeakPolarHBondContact CD-OE1 3.41Å; K246-E250 WeakPolarHBondContact CD-OE2 3.28Å; K246-E250 WeakPolarHBondContact CE-OE1 3.22Å; K246-E250 IonicContact NZ-OE1 3.04Å; K246-E250 PolarHBondContact NZ-OE1 3.15Å; K246-T281 CarbonylContact O-C 3.57Å; K246-T281 VanDerWaalsContact O-CA 3.3Å; K246-T281 WeakPolarHBondContact O-CA 3.3Å; K246-L282 HydrophobicContact CB-CD1 4.3Å; K246-L282 WeakPolarHBondContact O-CG 3.5Å; K246-L282 PolarHBondContact O-N 2.85Å
247	T	91.1	Very high	85.8	Confident	30 Å²	30	53 Å²	53	18%	0.184	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-81.1	156.4	174.1	60.6	0	0	0	0	111.8	Q249 E250 V251 S279 M280	T247-Q249 PolarHBondContact O-N 3.2Å; T247-E250 PolarHBondContact N-OE2 3.46Å; T247-E250 PolarHBondContact O-N 3.36Å; T247-E250 VanDerWaalsContact OG1-CG 3.23Å; T247-E250 WeakPolarHBondContact OG1-CG 3.28Å; T247-E250 PolarHBondContact OG1-N 2.76Å; T247-E250 PolarHBondContact OG1-OE2 3.45Å; T247-V251 PolarHBondContact O-N 2.82Å; T247-S279 WeakPolarHBondContact CG2-O 3.35Å; T247-M280 WeakPolarHBondContact CA-O 3.41Å
248	I	89.8	Confident	85.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-39.1	171.2	-69	166.7	0	0	0	110.5	E250 V251 K252 W271 A275 D278 M280 L282	I248-E250 VanDerWaalsContact C-N 3.32Å; I248-E250 PolarHBondContact O-N 3.36Å; I248-V251 PolarHBondContact O-N 3.09Å; I248-K252 HydrophobicContact CG2-CD 4.22Å; I248-K252 HydrophobicContact CG2-CG 4.41Å; I248-K252 WeakPolarHBondContact O-CG 3.47Å; I248-K252 PolarHBondContact O-N 3.16Å; I248-W271 HydrophobicContact CD1-CE3 4.44Å; I248-W271 HydrophobicContact CD1-CZ3 4.36Å; I248-W271 HydrophobicContact CG1-CE3 4.41Å; I248-W271 HydrophobicContact CG1-CH2 4.08Å; I248-W271 HydrophobicContact CG1-CZ3 3.88Å; I248-W271 HydrophobicContact CG2-CH2 4.22Å; I248-W271 HydrophobicContact CG2-CZ2 4.12Å; I248-A275 HydrophobicContact CD1-CB 3.69Å; I248-D278 PolarHBondContact N-O 3.21Å; I248-M280 HydrophobicContact CD1-CB 4.17Å; I248-M280 PolarHBondContact N-O 2.93Å; I248-L282 HydrophobicContact CG1-CD2 4.37Å
249	Q	89.1	Confident	86	Confident	97 Å²	97	51.1 Å²	51.1	45%	0.453	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-39.2	176.8	-160.9	-173	55.2	0	0	112.8	T247 K252 R253 D278	T247-Q249 PolarHBondContact O-N 3.2Å; Q249-K252 PolarHBondContact O-N 3.49Å; Q249-R253 WeakPolarHBondContact O-CB 3.5Å; Q249-R253 PolarHBondContact O-N 2.94Å; Q249-D278 HydrophobicContact CB-CB 4.21Å; Q249-D278 WeakPolarHBondContact CB-O 3.46Å; Q249-D278 PolarHBondContact N-O 3.22Å
250	E	88.5	Confident	85.9	Confident	64 Å²	64	54.1 Å²	54.1	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-69.3	-38.9	176.8	-73.8	168.1	103.3	0	0	112.7	K246 T247 I248 R253 N254	K246-E250 HydrophobicContact CD-CB 4.17Å; K246-E250 VanDerWaalsContact CD-CD 3.45Å; K246-E250 HydrophobicContact CD-CG 4.44Å; K246-E250 WeakPolarHBondContact CD-OE1 3.41Å; K246-E250 WeakPolarHBondContact CD-OE2 3.28Å; K246-E250 WeakPolarHBondContact CE-OE1 3.22Å; K246-E250 IonicContact NZ-OE1 3.04Å; K246-E250 PolarHBondContact NZ-OE1 3.15Å; T247-E250 PolarHBondContact N-OE2 3.46Å; T247-E250 PolarHBondContact O-N 3.36Å; T247-E250 VanDerWaalsContact OG1-CG 3.23Å; T247-E250 WeakPolarHBondContact OG1-CG 3.28Å; T247-E250 PolarHBondContact OG1-N 2.76Å; T247-E250 PolarHBondContact OG1-OE2 3.45Å; I248-E250 VanDerWaalsContact C-N 3.32Å; I248-E250 PolarHBondContact O-N 3.36Å; E250-R253 PolarHBondContact O-N 3.26Å; E250-N254 WeakPolarHBondContact O-CB 3.43Å; E250-N254 PolarHBondContact O-N 3.48Å
251	V	88.9	Confident	86.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-45.2	173	174.7	0	0	0	0	110.5	L227 I229 F242 T247 I248 R253 N254 I255 W271 L282	L227-V251 HydrophobicContact CD1-CG1 3.76Å; L227-V251 HydrophobicContact CD1-CG2 4.13Å; I229-V251 HydrophobicContact CD1-CG1 4.29Å; F242-V251 HydrophobicContact CD1-CG2 4.1Å; F242-V251 HydrophobicContact CD2-CG2 4.11Å; F242-V251 HydrophobicContact CE1-CG2 4.2Å; F242-V251 HydrophobicContact CE2-CG1 4.08Å; F242-V251 HydrophobicContact CE2-CG2 4.19Å; F242-V251 HydrophobicContact CG-CG2 4.05Å; F242-V251 HydrophobicContact CZ-CG1 4.26Å; F242-V251 HydrophobicContact CZ-CG2 4.24Å; T247-V251 PolarHBondContact O-N 2.82Å; I248-V251 PolarHBondContact O-N 3.09Å; V251-R253 VanDerWaalsContact C-N 3.31Å; V251-R253 PolarHBondContact O-N 2.96Å; V251-N254 PolarHBondContact O-N 3.36Å; V251-I255 WeakPolarHBondContact O-CB 3.41Å; V251-I255 PolarHBondContact O-N 3.42Å; V251-W271 HydrophobicContact CG1-CH2 4.32Å; V251-W271 HydrophobicContact CG1-CZ2 4.39Å; V251-L282 HydrophobicContact CG2-CD1 3.89Å; V251-L282 HydrophobicContact CG2-CD2 4.08Å; V251-L282 HydrophobicContact CG2-CG 4.3Å
252	K	90.6	Very high	86.3	Confident	29 Å²	29	50 Å²	50	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-39	174.8	-69.9	-178	-176.7	174.2	0	112.3	I248 Q249 S256 V263 Q266 W268 D278	I248-K252 HydrophobicContact CG2-CD 4.22Å; I248-K252 HydrophobicContact CG2-CG 4.41Å; I248-K252 WeakPolarHBondContact O-CG 3.47Å; I248-K252 PolarHBondContact O-N 3.16Å; Q249-K252 PolarHBondContact O-N 3.49Å; K252-S256 PolarHBondContact O-N 3.46Å; K252-V263 HydrophobicContact CB-CG1 3.97Å; K252-V263 HydrophobicContact CB-CG2 4.24Å; K252-V263 HydrophobicContact CD-CG1 4.23Å; K252-Q266 PolarHBondContact O-NE2 3.18Å; K252-Q266 PolarHBondContact O-OE1 3.38Å; K252-W268 HydrophobicContact CG-CZ2 4.06Å; K252-D278 WeakPolarHBondContact CD-OD2 3.5Å; K252-D278 IonicContact NZ-OD1 2.68Å; K252-D278 PolarHBondContact NZ-OD1 3.47Å; K252-D278 IonicContact NZ-OD2 3.03Å; K252-D278 PolarHBondContact NZ-OD2 2.92Å
253	R	88.6	Confident	86.4	Confident	145 Å²	145	51.5 Å²	51.5	55%	0.547	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-51.6	175	-169.4	-177.8	-61.1	-176.8	3.5	111.4	Q249 E250 V251 I255 S256 D257	Q249-R253 WeakPolarHBondContact O-CB 3.5Å; Q249-R253 PolarHBondContact O-N 2.94Å; E250-R253 PolarHBondContact O-N 3.26Å; V251-R253 VanDerWaalsContact C-N 3.31Å; V251-R253 PolarHBondContact O-N 2.96Å; R253-I255 PolarHBondContact O-N 2.97Å; R253-S256 WeakPolarHBondContact O-CA 3.43Å; R253-S256 WeakPolarHBondContact O-CB 3.23Å; R253-S256 PolarHBondContact O-N 3.39Å; R253-D257 VanDerWaalsContact O-CG 3.31Å; R253-D257 PolarHBondContact O-N 2.92Å; R253-D257 VanDerWaalsContact O-N 3.08Å
254	N	86	Confident	86.3	Confident	63 Å²	63	58.2 Å²	58.2	34%	0.337	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-35	178.9	-172.4	-110.9	0	0	0	112.5	F242 E250 V251 D257 L258	F242-N254 HydrophobicContact CE1-CB 4.28Å; F242-N254 HydrophobicContact CZ-CB 4.37Å; E250-N254 WeakPolarHBondContact O-CB 3.43Å; E250-N254 PolarHBondContact O-N 3.48Å; V251-N254 PolarHBondContact O-N 3.36Å; N254-D257 PolarHBondContact O-N 3.35Å; N254-L258 WeakPolarHBondContact O-CG 3.42Å; N254-L258 PolarHBondContact O-N 3.44Å; N254-L258 VanDerWaalsContact O-N 3.17Å
255	I	87.9	Confident	86.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-75.6	-27	172.7	-74.7	-77.2	0	0	0	112.9	I229 L240 V251 R253 D257 L258 T259 W268 V296	I229-I255 HydrophobicContact CB-CD1 4.24Å; I229-I255 HydrophobicContact CD1-CD1 3.75Å; I229-I255 HydrophobicContact CD1-CG1 3.76Å; I229-I255 HydrophobicContact CG2-CD1 3.99Å; L240-I255 HydrophobicContact CD1-CD1 3.72Å; L240-I255 HydrophobicContact CD1-CG1 4.28Å; V251-I255 WeakPolarHBondContact O-CB 3.41Å; V251-I255 PolarHBondContact O-N 3.42Å; R253-I255 PolarHBondContact O-N 2.97Å; I255-D257 VanDerWaalsContact C-N 3.26Å; I255-D257 PolarHBondContact O-N 3.49Å; I255-L258 HydrophobicContact CD1-CD1 4.29Å; I255-L258 PolarHBondContact O-N 3.48Å; I255-T259 HydrophobicContact CG2-CG2 3.94Å; I255-T259 WeakPolarHBondContact O-CB 3.49Å; I255-T259 WeakPolarHBondContact O-CG2 3.42Å; I255-T259 PolarHBondContact O-N 2.84Å; I255-T259 PolarHBondContact O-OG1 2.98Å; I255-W268 HydrophobicContact CB-CH2 4.04Å; I255-W268 HydrophobicContact CB-CZ2 4Å; I255-W268 HydrophobicContact CG1-CH2 4.02Å; I255-W268 HydrophobicContact CG1-CZ2 4.49Å; I255-W268 HydrophobicContact CG2-CH2 3.75Å; I255-W268 HydrophobicContact CG2-CZ2 3.62Å; I255-V296 HydrophobicContact CG2-CG1 4.24Å
256	S	87.1	Confident	86.7	Confident	21 Å²	21	59 Å²	59	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-42.1	167.7	-171.9	0	0	0	0	110.6	K252 R253 N260 I261 P262 Q266	K252-S256 PolarHBondContact O-N 3.46Å; R253-S256 WeakPolarHBondContact O-CA 3.43Å; R253-S256 WeakPolarHBondContact O-CB 3.23Å; R253-S256 PolarHBondContact O-N 3.39Å; S256-N260 WeakPolarHBondContact O-CA 3.16Å; S256-N260 PolarHBondContact O-N 3.04Å; S256-I261 WeakPolarHBondContact CA-O 3.42Å; S256-I261 WeakPolarHBondContact CB-O 2.96Å; S256-I261 PolarHBondContact OG-O 3.46Å; S256-I261 VanDerWaalsContact OG-O 3.1Å; S256-P262 WeakPolarHBondContact OG-CA 3.35Å; S256-Q266 VanDerWaalsContact CA-NE2 3.32Å
257	D	85.3	Confident	86.8	Confident	118 Å²	118	58.9 Å²	58.9	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-69.8	-35	179.8	-48.9	-37.7	0	0	0	111.6	R253 N254 I255	R253-D257 VanDerWaalsContact O-CG 3.31Å; R253-D257 PolarHBondContact O-N 2.92Å; R253-D257 VanDerWaalsContact O-N 3.08Å; N254-D257 PolarHBondContact O-N 3.35Å; I255-D257 VanDerWaalsContact C-N 3.26Å; I255-D257 PolarHBondContact O-N 3.49Å
258	L	82.2	Confident	86.6	Confident	73 Å²	73	59.3 Å²	59.3	38%	0.382	28%	0.284	S	S	.	.	H	α-helix	trans	-86.2	-19.9	-178.4	-70.4	170.6	0	0	0	115.6	Y238 L240 N254 I255	Y238-L258 HydrophobicContact CD1-CB 4.25Å; Y238-L258 HydrophobicContact CD1-CD1 4.37Å; Y238-L258 HydrophobicContact CE1-CB 3.9Å; Y238-L258 PolarHBondContact OH-O 3.44Å; L240-L258 HydrophobicContact CD1-CD1 3.52Å; L240-L258 HydrophobicContact CD2-CD1 4.13Å; L240-L258 HydrophobicContact CG-CD1 4.45Å; N254-L258 WeakPolarHBondContact O-CG 3.42Å; N254-L258 PolarHBondContact O-N 3.44Å; N254-L258 VanDerWaalsContact O-N 3.17Å; I255-L258 HydrophobicContact CD1-CD1 4.29Å; I255-L258 PolarHBondContact O-N 3.48Å
259	T	82.9	Confident	86.4	Confident	18 Å²	18	63 Å²	63	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-113.1	-12.7	179.8	62.4	0	0	0	0	113.7	H231 Y238 I255 I261 V296	H231-T259 HydrophobicContact CB-CG2 4.38Å; Y238-T259 HydrophobicContact CE2-CG2 4.39Å; I255-T259 HydrophobicContact CG2-CG2 3.94Å; I255-T259 WeakPolarHBondContact O-CB 3.49Å; I255-T259 WeakPolarHBondContact O-CG2 3.42Å; I255-T259 PolarHBondContact O-N 2.84Å; I255-T259 PolarHBondContact O-OG1 2.98Å; T259-I261 PolarHBondContact O-N 2.92Å; T259-I261 PolarHBondContact OG1-N 2.89Å; T259-V296 HydrophobicContact CG2-CG1 4.41Å
260	N	82.5	Confident	86	Confident	143 Å²	143	60.6 Å²	60.6	77%	0.765	30%	0.302	S	S	*	.			trans	56.8	25.8	-169.9	-156.6	12.8	0	0	0	113.9	S256 P262	S256-N260 WeakPolarHBondContact O-CA 3.16Å; S256-N260 PolarHBondContact O-N 3.04Å; N260-P262 WeakPolarHBondContact O-CD 3.4Å
261	I	85.6	Confident	85.8	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.041	30%	0.295	C	S	.	.			trans	-102.1	106.6	171.6	-57.4	174.1	0	0	0	108.2	H231 S256 T259 V263 H265 Q266 R298	H231-I261 WeakPolarHBondContact NE2-CD1 3.47Å; S256-I261 WeakPolarHBondContact CA-O 3.42Å; S256-I261 WeakPolarHBondContact CB-O 2.96Å; S256-I261 PolarHBondContact OG-O 3.46Å; S256-I261 VanDerWaalsContact OG-O 3.1Å; T259-I261 PolarHBondContact O-N 2.92Å; T259-I261 PolarHBondContact OG1-N 2.89Å; I261-V263 PolarHBondContact O-N 3.32Å; I261-H265 HydrophobicContact CG2-CB 4.11Å; I261-Q266 HydrophobicContact CB-CG 4.15Å; I261-Q266 HydrophobicContact CG2-CB 4.45Å; I261-Q266 HydrophobicContact CG2-CG 3.69Å; I261-Q266 WeakPolarHBondContact O-CG 3.41Å; I261-Q266 PolarHBondContact O-NE2 3.1Å; I261-R298 HydrophobicContact CD1-CB 4.09Å; I261-R298 HydrophobicContact CG2-CB 4.34Å; I261-R298 HydrophobicContact CG2-CG 4.35Å
262	P	85.6	Confident	85.5	Confident	39 Å²	39	61 Å²	61	25%	0.253	30%	0.304	S	S	.	.			trans	-52.6	138	177	-27.9	35.5	0	0	0	111.9	S256 N260 R264 H265 Q266	S256-P262 WeakPolarHBondContact OG-CA 3.35Å; N260-P262 WeakPolarHBondContact O-CD 3.4Å; P262-R264 HydrophobicContact CB-CG 4.2Å; P262-R264 PolarHBondContact O-N 2.73Å; P262-H265 WeakPolarHBondContact O-CA 3.33Å; P262-H265 WeakPolarHBondContact O-CB 3.48Å; P262-H265 PolarHBondContact O-N 3.29Å; P262-Q266 PolarHBondContact O-N 3.27Å
263	V	85.6	Confident	84.8	Confident	50 Å²	50	64.8 Å²	64.8	30%	0.303	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-45.3	-43.7	-175.1	179.9	0	0	0	0	113.8	K252 I261 H265 Q266	K252-V263 HydrophobicContact CB-CG1 3.97Å; K252-V263 HydrophobicContact CB-CG2 4.24Å; K252-V263 HydrophobicContact CD-CG1 4.23Å; I261-V263 PolarHBondContact O-N 3.32Å; V263-H265 PolarHBondContact O-N 2.87Å; V263-H265 VanDerWaalsContact O-N 3.15Å; V263-Q266 PolarHBondContact O-N 3.38Å
264	R	83.1	Confident	84.2	Confident	184 Å²	184	61 Å²	61	69%	0.694	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-59.2	-21.8	176.4	59.5	169.6	-173	-87.2	3.2	115.4	P262	P262-R264 HydrophobicContact CB-CG 4.2Å; P262-R264 PolarHBondContact O-N 2.73Å
265	H	85.9	Confident	83.8	Confident	66 Å²	66	58.7 Å²	58.7	31%	0.306	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-106	-1.9	178.1	-55.3	156.7	0	0	0	112.5	I261 P262 V263 R298 R299	I261-H265 HydrophobicContact CG2-CB 4.11Å; P262-H265 WeakPolarHBondContact O-CA 3.33Å; P262-H265 WeakPolarHBondContact O-CB 3.48Å; P262-H265 PolarHBondContact O-N 3.29Å; V263-H265 PolarHBondContact O-N 2.87Å; V263-H265 VanDerWaalsContact O-N 3.15Å; H265-R298 CarbonylContact O-C 3.34Å; H265-R298 WeakPolarHBondContact O-CA 3.46Å; H265-R299 WeakPolarHBondContact O-CB 3.32Å; H265-R299 PolarHBondContact O-N 3.22Å
266	Q	88.2	Confident	83.1	Confident	9 Å²	9	64 Å²	64	4%	0.042	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	133.3	174.9	-63.9	172.2	2	0	0	110	K252 S256 I261 P262 V263 V296	K252-Q266 PolarHBondContact O-NE2 3.18Å; K252-Q266 PolarHBondContact O-OE1 3.38Å; S256-Q266 VanDerWaalsContact CA-NE2 3.32Å; I261-Q266 HydrophobicContact CB-CG 4.15Å; I261-Q266 HydrophobicContact CG2-CB 4.45Å; I261-Q266 HydrophobicContact CG2-CG 3.69Å; I261-Q266 WeakPolarHBondContact O-CG 3.41Å; I261-Q266 PolarHBondContact O-NE2 3.1Å; P262-Q266 PolarHBondContact O-N 3.27Å; V263-Q266 PolarHBondContact O-N 3.38Å; Q266-V296 HydrophobicContact CB-CG2 4.14Å; Q266-V296 HydrophobicContact CG-CG2 4.26Å
267	Q	88.1	Confident	82.7	Confident	78 Å²	78	66.9 Å²	66.9	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.4	166.4	173.3	169.6	-24.3	0	0	107.5	V296 C297 R299	Q267-V296 WeakPolarHBondContact O-CA 3.39Å; Q267-C297 PolarHBondContact N-O 3.5Å; Q267-C297 PolarHBondContact O-N 2.77Å; Q267-R299 HydrophobicContact CB-CB 4.36Å
268	W	88.1	Confident	82.6	Confident	39 Å²	39	63.7 Å²	63.7	15%	0.148	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.2	-172.3	-73.9	86	0	0	0	111.1	I229 K252 I255 W271 L294 S295 V296	I229-W268 HydrophobicContact CD1-CH2 4.16Å; I229-W268 HydrophobicContact CD1-CZ3 4.31Å; I229-W268 HydrophobicContact CG1-CZ3 4.44Å; I229-W268 HydrophobicContact CG2-CH2 3.89Å; I229-W268 HydrophobicContact CG2-CZ3 3.71Å; K252-W268 HydrophobicContact CG-CZ2 4.06Å; I255-W268 HydrophobicContact CB-CH2 4.04Å; I255-W268 HydrophobicContact CB-CZ2 4Å; I255-W268 HydrophobicContact CG1-CH2 4.02Å; I255-W268 HydrophobicContact CG1-CZ2 4.49Å; I255-W268 HydrophobicContact CG2-CH2 3.75Å; I255-W268 HydrophobicContact CG2-CZ2 3.62Å; W268-W271 AromaticContact CD2-NE1 3.5Å; W268-W271 HydrophobicContact CE3-CZ2 4.39Å; W268-W271 AromaticContact CE3-NE1 3.38Å; W268-W271 AromaticContact CG-NE1 3.63Å; W268-W271 HydrophobicContact CZ3-CZ2 4.38Å; W268-L294 HydrophobicContact CE3-CB 4.09Å; W268-L294 HydrophobicContact CE3-CD1 4.26Å; W268-L294 HydrophobicContact CZ3-CB 3.92Å; W268-L294 HydrophobicContact CZ3-CD1 3.83Å; W268-L294 HydrophobicContact CZ3-CG 4.49Å; W268-S295 WeakPolarHBondContact CA-O 3.44Å; W268-V296 HydrophobicContact CD2-CB 4.21Å; W268-V296 HydrophobicContact CD2-CG2 4.11Å; W268-V296 HydrophobicContact CE3-CB 4.2Å; W268-V296 HydrophobicContact CG-CG2 4.5Å; W268-V296 HydrophobicContact CH2-CB 4.39Å; W268-V296 HydrophobicContact CZ2-CB 4.37Å; W268-V296 HydrophobicContact CZ2-CG2 4.1Å; W268-V296 HydrophobicContact CZ3-CB 4.3Å
269	E	83.8	Confident	82.5	Confident	80 Å²	80	64 Å²	64	37%	0.374	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.9	172	-69.1	168.9	-163.9	0	0	108.8	R232 L294 S295	R232-E269 IonicContact CZ-OE2 2.76Å; R232-E269 IonicContact NH1-OE1 3.64Å; R232-E269 PolarHBondContact NH1-OE1 3.5Å; R232-E269 IonicContact NH1-OE2 3.68Å; R232-E269 PolarHBondContact NH1-OE2 2.84Å; R232-E269 IonicContact NH2-OE2 3.03Å; E269-L294 WeakPolarHBondContact O-CA 3.22Å; E269-S295 PolarHBondContact N-O 3.35Å; E269-S295 PolarHBondContact O-N 2.87Å
270	G	80.9	Confident	82.5	Confident	45 Å²	45	66 Å²	66	46%	0.464	38%	0.377	S	S	.	.			trans	108.3	-21.6	176.9	0	0	0	0	0	116.1	H292	G270-H292 PolarHBondContact O-NE2 3.23Å
271	W	85.9	Confident	82.8	Confident	45 Å²	45	60.5 Å²	60.5	17%	0.17	35%	0.349	C	S	.	.			trans	-60.1	139	176.6	-67.8	105.7	0	0	0	111.8	L227 I248 V251 W268 A275 L282 I287 L294	L227-W271 HydrophobicContact CD1-CH2 4.47Å; I248-W271 HydrophobicContact CD1-CE3 4.44Å; I248-W271 HydrophobicContact CD1-CZ3 4.36Å; I248-W271 HydrophobicContact CG1-CE3 4.41Å; I248-W271 HydrophobicContact CG1-CH2 4.08Å; I248-W271 HydrophobicContact CG1-CZ3 3.88Å; I248-W271 HydrophobicContact CG2-CH2 4.22Å; I248-W271 HydrophobicContact CG2-CZ2 4.12Å; V251-W271 HydrophobicContact CG1-CH2 4.32Å; V251-W271 HydrophobicContact CG1-CZ2 4.39Å; W268-W271 AromaticContact CD2-NE1 3.5Å; W268-W271 HydrophobicContact CE3-CZ2 4.39Å; W268-W271 AromaticContact CE3-NE1 3.38Å; W268-W271 AromaticContact CG-NE1 3.63Å; W268-W271 HydrophobicContact CZ3-CZ2 4.38Å; W271-A275 HydrophobicContact CB-CB 4.23Å; W271-A275 HydrophobicContact CE3-CB 4.26Å; W271-L282 HydrophobicContact CH2-CD2 3.89Å; W271-L282 HydrophobicContact CZ3-CD2 3.82Å; W271-I287 HydrophobicContact CE3-CG2 4.07Å; W271-I287 HydrophobicContact CZ3-CG2 4.03Å; W271-L294 HydrophobicContact CB-CD2 4.49Å; W271-L294 HydrophobicContact CD2-CD1 4.16Å; W271-L294 HydrophobicContact CD2-CD2 3.78Å; W271-L294 HydrophobicContact CE3-CD1 4.37Å; W271-L294 HydrophobicContact CE3-CD2 4.21Å; W271-L294 HydrophobicContact CG-CD2 3.9Å; W271-L294 HydrophobicContact CH2-CD1 3.74Å; W271-L294 HydrophobicContact CZ2-CD1 3.47Å; W271-L294 VanDerWaalsContact CZ2-CD1 3.47Å; W271-L294 HydrophobicContact CZ3-CD1 4.17Å
272	P	82.5	Confident	82.7	Confident	28 Å²	28	60.1 Å²	60.1	18%	0.182	35%	0.347	C	S	.	.			trans	-70	157	178.3	31	-37.5	0	0	0	111.9	S274 A275 S285 I287	P272-S274 PolarHBondContact O-N 2.85Å; P272-A275 HydrophobicContact CG-CB 3.95Å; P272-A275 VanDerWaalsContact O-CB 3.29Å; P272-A275 WeakPolarHBondContact O-CB 3.43Å; P272-A275 PolarHBondContact O-N 2.8Å; P272-S285 WeakPolarHBondContact CG-O 3.17Å; P272-I287 HydrophobicContact CG-CG2 4.22Å
273	A	75.8	Confident	82.5	Confident	108 Å²	108	59.3 Å²	59.3	89%	0.893	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.3	-177	0	0	0	0	0	114.9
274	S	74.6	Confident	82.3	Confident	65 Å²	65	60.8 Å²	60.8	46%	0.455	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.6	171.7	38.6	0	0	0	0	114.1	P272 S276 S285	P272-S274 PolarHBondContact O-N 2.85Å; S274-S276 VanDerWaalsContact C-N 3.26Å; S274-S276 PolarHBondContact O-N 2.98Å; S274-S285 WeakPolarHBondContact CB-O 3.35Å; S274-S285 PolarHBondContact OG-O 2.93Å
275	A	79.2	Confident	82.1	Confident	15 Å²	15	52 Å²	52	12%	0.124	32%	0.316	C	S	.	.			trans	-90	46.6	179.6	0	0	0	0	0	112	I248 W271 P272	I248-A275 HydrophobicContact CD1-CB 3.69Å; W271-A275 HydrophobicContact CB-CB 4.23Å; W271-A275 HydrophobicContact CE3-CB 4.26Å; P272-A275 HydrophobicContact CG-CB 3.95Å; P272-A275 VanDerWaalsContact O-CB 3.29Å; P272-A275 WeakPolarHBondContact O-CB 3.43Å; P272-A275 PolarHBondContact O-N 2.8Å
276	S	71.3	Confident	81.7	Confident	111 Å²	111	51.1 Å²	51.1	78%	0.776	33%	0.325	S	S	*	.			trans	-84.7	-12	-175.2	64.5	0	0	0	0	114.8	S274	S274-S276 VanDerWaalsContact C-N 3.26Å; S274-S276 PolarHBondContact O-N 2.98Å
277	D	79.8	Confident	81.4	Confident	82 Å²	82	51.5 Å²	51.5	44%	0.439	33%	0.327	S	S	.	.			trans	-119.8	136.6	177.6	176.4	40.1	0	0	0	110.6	S279 M280	D277-S279 VanDerWaalsContact C-N 3.33Å; D277-S279 VanDerWaalsContact CG-OG 3.27Å; D277-S279 PolarHBondContact O-N 3.09Å; D277-S279 PolarHBondContact OD1-N 2.97Å; D277-S279 PolarHBondContact OD1-OG 3.04Å; D277-S279 VanDerWaalsContact OD1-OG 3.12Å; D277-S279 WeakPolarHBondContact OD2-CB 3.46Å; D277-S279 PolarHBondContact OD2-N 3.44Å; D277-S279 PolarHBondContact OD2-OG 3.01Å; D277-M280 VanDerWaalsContact O-CB 3.27Å; D277-M280 WeakPolarHBondContact O-CB 3.41Å; D277-M280 PolarHBondContact O-N 2.93Å
278	D	82.3	Confident	80.8	Confident	51 Å²	51	50.5 Å²	50.5	27%	0.273	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21	-176.1	-86.4	22.7	0	0	0	112.7	I248 Q249 K252 M280	I248-D278 PolarHBondContact N-O 3.21Å; Q249-D278 HydrophobicContact CB-CB 4.21Å; Q249-D278 WeakPolarHBondContact CB-O 3.46Å; Q249-D278 PolarHBondContact N-O 3.22Å; K252-D278 WeakPolarHBondContact CD-OD2 3.5Å; K252-D278 IonicContact NZ-OD1 2.68Å; K252-D278 PolarHBondContact NZ-OD1 3.47Å; K252-D278 IonicContact NZ-OD2 3.03Å; K252-D278 PolarHBondContact NZ-OD2 2.92Å; D278-M280 PolarHBondContact O-N 3.33Å
279	S	80.3	Confident	80.1	Confident	81 Å²	81	55.1 Å²	55.1	57%	0.566	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.4	171.8	-9.5	0	0	0	0	113.2	T247 D277	T247-S279 WeakPolarHBondContact CG2-O 3.35Å; D277-S279 VanDerWaalsContact C-N 3.33Å; D277-S279 VanDerWaalsContact CG-OG 3.27Å; D277-S279 PolarHBondContact O-N 3.09Å; D277-S279 PolarHBondContact OD1-N 2.97Å; D277-S279 PolarHBondContact OD1-OG 3.04Å; D277-S279 VanDerWaalsContact OD1-OG 3.12Å; D277-S279 WeakPolarHBondContact OD2-CB 3.46Å; D277-S279 PolarHBondContact OD2-N 3.44Å; D277-S279 PolarHBondContact OD2-OG 3.01Å
280	M	83.3	Confident	79.6	Confident	60 Å²	60	54.9 Å²	54.9	30%	0.296	35%	0.353	S	S	.	.	S	Bend	trans	-67.8	138.9	-176.7	-170.3	61	131.1	0	0	111.4	T247 I248 D277 D278 L284	T247-M280 WeakPolarHBondContact CA-O 3.41Å; I248-M280 HydrophobicContact CD1-CB 4.17Å; I248-M280 PolarHBondContact N-O 2.93Å; D277-M280 VanDerWaalsContact O-CB 3.27Å; D277-M280 WeakPolarHBondContact O-CB 3.41Å; D277-M280 PolarHBondContact O-N 2.93Å; D278-M280 PolarHBondContact O-N 3.33Å; M280-L284 HydrophobicContact CE-CB 3.71Å; M280-L284 HydrophobicContact CG-CB 4.19Å; M280-L284 HydrophobicContact SD-CB 3.51Å; M280-L284 VanDerWaalsContact SD-CB 3.51Å; M280-L284 HydrophobicContact SD-CD1 4.05Å; M280-L284 HydrophobicContact SD-CG 4.44Å
281	T	88.1	Confident	79.7	Confident	27 Å²	27	56 Å²	56	17%	0.166	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-77.9	149.9	177.6	65.4	0	0	0	0	111.6	L221 G244 K246 A283 L284 S285	L221-T281 HydrophobicContact CD2-CG2 4.18Å; G244-T281 WeakPolarHBondContact O-CB 3.32Å; K246-T281 CarbonylContact O-C 3.57Å; K246-T281 VanDerWaalsContact O-CA 3.3Å; K246-T281 WeakPolarHBondContact O-CA 3.3Å; T281-A283 VanDerWaalsContact C-N 3.26Å; T281-A283 PolarHBondContact O-N 3.46Å; T281-L284 PolarHBondContact O-N 2.83Å; T281-L284 WeakPolarHBondContact OG1-CG 3.48Å; T281-S285 WeakPolarHBondContact O-CB 3.04Å; T281-S285 PolarHBondContact O-N 2.9Å
282	L	84.1	Confident	79.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-55.5	-41.4	-179.9	-69.2	-179.9	0	0	0	112	L227 F242 G244 K246 I248 V251 W271 L284 S285 I287	L227-L282 HydrophobicContact CD1-CD1 4.28Å; L227-L282 HydrophobicContact CD1-CD2 4.31Å; F242-L282 HydrophobicContact CB-CD1 3.51Å; F242-L282 HydrophobicContact CG-CD1 4.28Å; G244-L282 PolarHBondContact O-N 2.95Å; K246-L282 HydrophobicContact CB-CD1 4.3Å; K246-L282 WeakPolarHBondContact O-CG 3.5Å; K246-L282 PolarHBondContact O-N 2.85Å; I248-L282 HydrophobicContact CG1-CD2 4.37Å; V251-L282 HydrophobicContact CG2-CD1 3.89Å; V251-L282 HydrophobicContact CG2-CD2 4.08Å; V251-L282 HydrophobicContact CG2-CG 4.3Å; W271-L282 HydrophobicContact CH2-CD2 3.89Å; W271-L282 HydrophobicContact CZ3-CD2 3.82Å; L282-L284 VanDerWaalsContact C-N 3.29Å; L282-L284 PolarHBondContact O-N 3.31Å; L282-S285 PolarHBondContact O-N 2.95Å; L282-S285 PolarHBondContact O-OG 2.89Å; L282-I287 HydrophobicContact CB-CD1 4.03Å; L282-I287 HydrophobicContact CD2-CD1 4.18Å
283	A	82.1	Confident	79.6	Confident	22 Å²	22	59.2 Å²	59.2	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-37.1	176.6	0	0	0	0	0	113.8	S220 L221 G244 T281	S220-A283 WeakPolarHBondContact O-CB 3.34Å; L221-A283 HydrophobicContact CD2-CB 3.92Å; L221-A283 HydrophobicContact CG-CB 4.25Å; G244-A283 WeakPolarHBondContact O-CB 3.38Å; G244-A283 PolarHBondContact O-N 3.41Å; T281-A283 VanDerWaalsContact C-N 3.26Å; T281-A283 PolarHBondContact O-N 3.46Å
284	L	80.1	Confident	80.2	Confident	80 Å²	80	54.1 Å²	54.1	42%	0.419	32%	0.324	S	S	.	.	H	α-helix	trans	-90.5	-19.7	-179.8	-68.8	175.1	0	0	0	113.1	L217 M280 T281 L282 G286	L217-L284 HydrophobicContact CD2-CD2 3.62Å; M280-L284 HydrophobicContact CE-CB 3.71Å; M280-L284 HydrophobicContact CG-CB 4.19Å; M280-L284 HydrophobicContact SD-CB 3.51Å; M280-L284 VanDerWaalsContact SD-CB 3.51Å; M280-L284 HydrophobicContact SD-CD1 4.05Å; M280-L284 HydrophobicContact SD-CG 4.44Å; T281-L284 PolarHBondContact O-N 2.83Å; T281-L284 WeakPolarHBondContact OG1-CG 3.48Å; L282-L284 VanDerWaalsContact C-N 3.29Å; L282-L284 PolarHBondContact O-N 3.31Å; L284-G286 PolarHBondContact O-N 2.88Å
285	S	79.3	Confident	80.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-22.9	-176.1	72	0	0	0	0	114.2	P272 S274 T281 L282 I287	P272-S285 WeakPolarHBondContact CG-O 3.17Å; S274-S285 WeakPolarHBondContact CB-O 3.35Å; S274-S285 PolarHBondContact OG-O 2.93Å; T281-S285 WeakPolarHBondContact O-CB 3.04Å; T281-S285 PolarHBondContact O-N 2.9Å; L282-S285 PolarHBondContact O-N 2.95Å; L282-S285 PolarHBondContact O-OG 2.89Å; S285-I287 WeakPolarHBondContact OG-CG2 3.38Å
286	G	77.1	Confident	81.4	Confident	48 Å²	48	51.7 Å²	51.7	50%	0.495	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	17.9	-178.7	0	0	0	0	0	115	L284	L284-G286 PolarHBondContact O-N 2.88Å
287	I	83.2	Confident	82.2	Confident	16 Å²	16	47.1 Å²	47.1	8%	0.082	27%	0.274	C	S	.	.			trans	-64.8	160.8	172.5	58	165.2	0	0	0	112.5	F225 L227 W271 P272 L282 S285 H292	F225-I287 HydrophobicContact CB-CD1 3.97Å; F225-I287 HydrophobicContact CD1-CD1 3.44Å; F225-I287 VanDerWaalsContact CD1-CD1 3.44Å; F225-I287 HydrophobicContact CD1-CG1 3.83Å; F225-I287 HydrophobicContact CE1-CD1 4.02Å; F225-I287 HydrophobicContact CE1-CG1 3.93Å; F225-I287 HydrophobicContact CG-CD1 3.77Å; L227-I287 HydrophobicContact CD2-CD1 3.85Å; W271-I287 HydrophobicContact CE3-CG2 4.07Å; W271-I287 HydrophobicContact CZ3-CG2 4.03Å; P272-I287 HydrophobicContact CG-CG2 4.22Å; L282-I287 HydrophobicContact CB-CD1 4.03Å; L282-I287 HydrophobicContact CD2-CD1 4.18Å; S285-I287 WeakPolarHBondContact OG-CG2 3.38Å; I287-H292 HydrophobicContact CB-CB 4.1Å; I287-H292 VanDerWaalsContact CG2-CD2 3.49Å; I287-H292 WeakPolarHBondContact CG2-CD2 3.18Å
288	S	74.8	Confident	82.5	Confident	57 Å²	57	50.2 Å²	50.2	40%	0.399	28%	0.28	S	S	.	.			trans	-74.9	136.2	-179	-48.3	0	0	0	0	112.1	C291 H292	S288-C291 VanDerWaalsContact CB-O 3.23Å; S288-C291 WeakPolarHBondContact CB-O 3.14Å; S288-C291 CarbonylContact O-C 3.57Å; S288-H292 VanDerWaalsContact CA-CE1 3.41Å; S288-H292 WeakPolarHBondContact CA-CE1 3.29Å; S288-H292 WeakPolarHBondContact CB-CE1 3.28Å; S288-H292 PolarHBondContact N-CE1 2.91Å; S288-H292 PolarHBondContact N-ND1 2.84Å; S288-H292 PolarHBondContact OG-CE1 2.79Å; S288-H292 PolarHBondContact OG-ND1 2.84Å
289	Y	74.6	Confident	82.5	Confident	136 Å²	136	55.1 Å²	55.1	53%	0.533	30%	0.295	S	S	.	.	S	Bend	trans	-107.8	141.1	173.8	-177.9	-90.1	0	0	0	110.5	Q223 F225	Q223-Y289 HydrophobicContact CB-CE2 4.09Å; Q223-Y289 HydrophobicContact CG-CE2 4.03Å; F225-Y289 HydrophobicContact CD1-CD2 4.04Å; F225-Y289 AromaticContact CE1-CD2 3.85Å; F225-Y289 HydrophobicContact CE1-CD2 3.85Å; F225-Y289 HydrophobicContact CE1-CG 4.4Å; F225-Y289 HydrophobicContact CZ-CD2 4.17Å
290	P	72	Confident	81.7	Confident	76 Å²	76	56 Å²	56	49%	0.494	30%	0.301	S	S	.	.	S	Bend	cis	-83.3	-9.7	-0.9	34.6	-36.6	0	0	0	114.3	L226	L226-P290 PolarHBondContact N-O 3.36Å
291	C	82.9	Confident	79.9	Confident	68 Å²	68	57.5 Å²	57.5	46%	0.459	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.7	-178.6	60	0	0	0	0	112.6	L226 S288	L226-C291 HydrophobicContact CB-CB 4.01Å; L226-C291 HydrophobicContact CD2-CB 4.23Å; L226-C291 HydrophobicContact CG-CB 4.36Å; L226-C291 CarbonylContact O-C 3.53Å; L226-C291 WeakPolarHBondContact O-CA 3.49Å; S288-C291 VanDerWaalsContact CB-O 3.23Å; S288-C291 WeakPolarHBondContact CB-O 3.14Å; S288-C291 CarbonylContact O-C 3.57Å
292	H	83.9	Confident	77.8	Confident	37 Å²	37	62.8 Å²	62.8	17%	0.171	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145	178.7	-171.7	71.9	0	0	0	110	L226 L227 V228 G270 I287 S288	L226-H292 PolarHBondContact O-N 3.01Å; L227-H292 WeakPolarHBondContact CA-O 3.47Å; L227-H292 HydrophobicContact CD2-CB 4.01Å; V228-H292 PolarHBondContact N-O 3.33Å; G270-H292 PolarHBondContact O-NE2 3.23Å; I287-H292 HydrophobicContact CB-CB 4.1Å; I287-H292 VanDerWaalsContact CG2-CD2 3.49Å; I287-H292 WeakPolarHBondContact CG2-CD2 3.18Å; S288-H292 VanDerWaalsContact CA-CE1 3.41Å; S288-H292 WeakPolarHBondContact CA-CE1 3.29Å; S288-H292 WeakPolarHBondContact CB-CE1 3.28Å; S288-H292 PolarHBondContact N-CE1 2.91Å; S288-H292 PolarHBondContact N-ND1 2.84Å; S288-H292 PolarHBondContact OG-CE1 2.79Å; S288-H292 PolarHBondContact OG-ND1 2.84Å
293	H	82.8	Confident	75.8	Confident	104 Å²	104	65.9 Å²	65.9	48%	0.481	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.4	-175.9	-173.3	62.2	0	0	0	111	V228	V228-H293 WeakPolarHBondContact O-CA 3.28Å; V228-H293 PolarHBondContact O-ND1 2.84Å
294	L	88.7	Confident	73.5	Confident	1 Å²	1	72 Å²	72	1%	0.005	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.3	178.8	-60.4	170.6	0	0	0	108.6	L227 V228 I229 S230 W268 E269 W271	L227-L294 HydrophobicContact CD1-CD1 4.27Å; L227-L294 HydrophobicContact CD2-CD1 4.48Å; V228-L294 PolarHBondContact O-N 2.99Å; I229-L294 CarbonylContact C-O 3.56Å; I229-L294 WeakPolarHBondContact CA-O 3.22Å; I229-L294 HydrophobicContact CG1-CB 4.28Å; I229-L294 HydrophobicContact CG1-CD1 4.36Å; S230-L294 PolarHBondContact N-O 3.47Å; W268-L294 HydrophobicContact CE3-CB 4.09Å; W268-L294 HydrophobicContact CE3-CD1 4.26Å; W268-L294 HydrophobicContact CZ3-CB 3.92Å; W268-L294 HydrophobicContact CZ3-CD1 3.83Å; W268-L294 HydrophobicContact CZ3-CG 4.49Å; E269-L294 WeakPolarHBondContact O-CA 3.22Å; W271-L294 HydrophobicContact CB-CD2 4.49Å; W271-L294 HydrophobicContact CD2-CD1 4.16Å; W271-L294 HydrophobicContact CD2-CD2 3.78Å; W271-L294 HydrophobicContact CE3-CD1 4.37Å; W271-L294 HydrophobicContact CE3-CD2 4.21Å; W271-L294 HydrophobicContact CG-CD2 3.9Å; W271-L294 HydrophobicContact CH2-CD1 3.74Å; W271-L294 HydrophobicContact CZ2-CD1 3.47Å; W271-L294 VanDerWaalsContact CZ2-CD1 3.47Å; W271-L294 HydrophobicContact CZ3-CD1 4.17Å
295	S	87.4	Confident	71.4	Confident	27 Å²	27	73.5 Å²	73.5	19%	0.189	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.4	167.2	54.6	0	0	0	0	111.4	S230 W268 E269	S230-S295 CarbonylContact O-C 3.57Å; S230-S295 VanDerWaalsContact O-CA 3.26Å; S230-S295 WeakPolarHBondContact O-CA 3.5Å; S230-S295 WeakPolarHBondContact O-CB 3.38Å; W268-S295 WeakPolarHBondContact CA-O 3.44Å; E269-S295 PolarHBondContact N-O 3.35Å; E269-S295 PolarHBondContact O-N 2.87Å
296	V	90.6	Very high	69.2	Low	1 Å²	1	81.7 Å²	81.7	1%	0.006	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.1	-176.4	67.9	0	0	0	0	110.5	I229 S230 H231 R232 I255 T259 Q266 Q267 W268	I229-V296 HydrophobicContact CG2-CG1 4.01Å; S230-V296 PolarHBondContact O-N 2.96Å; H231-V296 HydrophobicContact CB-CG1 4.3Å; R232-V296 PolarHBondContact N-O 3.12Å; I255-V296 HydrophobicContact CG2-CG1 4.24Å; T259-V296 HydrophobicContact CG2-CG1 4.41Å; Q266-V296 HydrophobicContact CB-CG2 4.14Å; Q266-V296 HydrophobicContact CG-CG2 4.26Å; Q267-V296 WeakPolarHBondContact O-CA 3.39Å; W268-V296 HydrophobicContact CD2-CB 4.21Å; W268-V296 HydrophobicContact CD2-CG2 4.11Å; W268-V296 HydrophobicContact CE3-CB 4.2Å; W268-V296 HydrophobicContact CG-CG2 4.5Å; W268-V296 HydrophobicContact CH2-CB 4.39Å; W268-V296 HydrophobicContact CZ2-CB 4.37Å; W268-V296 HydrophobicContact CZ2-CG2 4.1Å; W268-V296 HydrophobicContact CZ3-CB 4.3Å
297	C	88.3	Confident	67	Low	16 Å²	16	87.6 Å²	87.6	11%	0.108	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	169.3	168.6	58.1	0	0	0	0	110.1	R232 E233 Q267	R232-C297 HydrophobicContact CB-CB 4.07Å; E233-C297 WeakPolarHBondContact OE1-CA 3.22Å; E233-C297 WeakPolarHBondContact OE1-CB 3.49Å; Q267-C297 PolarHBondContact N-O 3.5Å; Q267-C297 PolarHBondContact O-N 2.77Å
298	R	86.8	Confident	64.7	Low	146 Å²	146	93.1 Å²	93.1	55%	0.551	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.8	170.4	-171.3	173.2	179.4	162.6	-2.4	108.8	E233 I261 H265 S300	E233-R298 WeakPolarHBondContact OE1-CB 3.49Å; E233-R298 PolarHBondContact OE1-N 3.38Å; E233-R298 WeakPolarHBondContact OE2-CB 3.25Å; I261-R298 HydrophobicContact CD1-CB 4.09Å; I261-R298 HydrophobicContact CG2-CB 4.34Å; I261-R298 HydrophobicContact CG2-CG 4.35Å; H265-R298 CarbonylContact O-C 3.34Å; H265-R298 WeakPolarHBondContact O-CA 3.46Å; R298-S300 PolarHBondContact O-N 3.48Å; R298-S300 VanDerWaalsContact O-N 3.09Å
299	R	81.7	Confident	62.5	Low	155 Å²	155	96.7 Å²	96.7	59%	0.585	54%	0.54	S	S	*	.			trans	-56.6	115	171.3	-175.9	-176.1	-61.6	-154	1	108.9	H265 Q267 S301	H265-R299 WeakPolarHBondContact O-CB 3.32Å; H265-R299 PolarHBondContact O-N 3.22Å; Q267-R299 HydrophobicContact CB-CB 4.36Å; R299-S301 PolarHBondContact O-N 2.68Å
300	S	63.9	Low	60.6	Low	100 Å²	100	99.1 Å²	99.1	70%	0.699	56%	0.557	S	S	*	*			trans	-66.9	124.8	172.4	44.9	0	0	0	0	109.7	R298	R298-S300 PolarHBondContact O-N 3.48Å; R298-S300 VanDerWaalsContact O-N 3.09Å
301	S	45.8	Very low	58.6	Low	91 Å²	91	105.2 Å²	105.2	64%	0.636	58%	0.579	S	S	*	*			trans	-77.2	136.4	167.2	-169.9	0	0	0	0	108.5	R299 A303	R299-S301 PolarHBondContact O-N 2.68Å; S301-A303 PolarHBondContact O-N 2.95Å
302	P	44.8	Very low	56.1	Low	138 Å²	138	107.5 Å²	107.5	90%	0.896	59%	0.594	S	S	*	*	S	Bend	trans	-77	55.9	173.1	33.6	-35.7	0	0	0	111.2
303	A	41.1	Very low	53.5	Low	65 Å²	65	112.4 Å²	112.4	54%	0.537	63%	0.627	S	S	.	*	S	Bend	trans	-149.7	139.4	173.6	0	0	0	0	0	109.4	S301	S301-A303 PolarHBondContact O-N 2.95Å
304	N	34.1	Very low	50.9	Low	149 Å²	149	114.1 Å²	114.1	80%	0.797	64%	0.639	S	S	*	*			trans	58.3	72	-178.3	-63.9	12.1	0	0	0	115.4	Q306	N304-Q306 PolarHBondContact O-N 3.1Å
305	A	36.2	Very low	48.3	Very low	112 Å²	112	120.6 Å²	120.6	93%	0.926	68%	0.679	S	S	*	*			trans	-74.4	99.4	141.7	0	0	0	0	0	108
306	Q	32.4	Very low	45.5	Very low	173 Å²	173	126.3 Å²	126.3	81%	0.808	70%	0.702	S	S	*	*			trans	-149.4	132.5	169.1	-143.8	165.5	-4.8	0	0	109.5	N304	N304-Q306 PolarHBondContact O-N 3.1Å
307	E	31.5	Very low	43	Very low	171 Å²	171	132.7 Å²	132.7	80%	0.799	73%	0.734	S	S	*	*			trans	-79.4	153.3	-171.4	-62.1	178.5	134.4	0	0	111.7	T309	E307-T309 PolarHBondContact O-N 3.4Å; E307-T309 VanDerWaalsContact O-N 3.13Å
308	P	33.9	Very low	40.4	Very low	132 Å²	132	138.2 Å²	138.2	86%	0.857	76%	0.761	S	S	*	*			trans	-77.6	96.4	175.1	31.7	-33.2	0	0	0	110.7
309	T	29.4	Very low	38	Very low	132 Å²	132	135.8 Å²	135.8	81%	0.81	77%	0.766	S	S	*	*			trans	-87.8	118.6	161.6	50.1	0	0	0	0	109.9	E307	E307-T309 PolarHBondContact O-N 3.4Å; E307-T309 VanDerWaalsContact O-N 3.13Å
310	E	35	Very low	35.7	Very low	187 Å²	187	135 Å²	135	87%	0.874	77%	0.773	S	S	*	*			trans	-64.5	134.2	165.9	-53.5	174.5	129.3	0	0	109.7
311	E	29.3	Very low	34.8	Very low	205 Å²	205	136.3 Å²	136.3	96%	0.958	78%	0.782	S	S	*	*			trans	-162.7	161.5	141.4	-119.6	170.3	-164.6	0	0	111.6
312	C	29.9	Very low	34.4	Very low	115 Å²	115	140.8 Å²	140.8	78%	0.777	79%	0.794	S	S	*	*			trans	-133.4	123.4	-170.1	173.1	0	0	0	0	110.5
313	T	30	Very low	33.9	Very low	140 Å²	140	138 Å²	138	86%	0.859	79%	0.79	S	S	*	*			trans	-162	120	149.2	25.3	0	0	0	0	112.9
314	D	29.1	Very low	33.8	Very low	140 Å²	140	142.8 Å²	142.8	75%	0.749	81%	0.806	S	S	*	*			trans	-33.2	129.8	148.4	169.8	27.2	0	0	0	116.7
315	V	32.8	Very low	34.3	Very low	137 Å²	137	142.5 Å²	142.5	83%	0.83	81%	0.805	S	S	*	*			trans	-150.7	106.4	145.6	-171.4	0	0	0	0	113
316	H	29.7	Very low	34.2	Very low	148 Å²	148	147.3 Å²	147.3	69%	0.685	81%	0.805	S	S	*	*			trans	27.3	117.7	131.3	-123.7	55	0	0	0	124.1
317	M	37	Very low	34.8	Very low	135 Å²	135	147.4 Å²	147.4	67%	0.665	81%	0.806	S	S	*	*				72.3	135.1	119.4	-71.2	-73.1	-111.3	0	0	126.3
318	I	34.6	Very low	35.2	Very low	132 Å²	132	145.9 Å²	145.9	68%	0.677	80%	0.803	S	S	*	*			trans	65.8	111.4	143.1	-60.3	162.1	0	0	0	120.1
319	S	36.6	Very low	35.3	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	80%	0.802	S	S	*	*				171.6	127.8	92.1	-120.3	0	0	0	0	113
320	D	33.5	Very low	35.8	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	80%	0.797	S	S	*	*				25.2	128.9	127.9	-30.2	-56.1	0	0	0	121
321	S	43.4	Very low	36.2	Very low	127 Å²	127	142.3 Å²	142.3	89%	0.888	79%	0.794	S	S	*	*			trans	-146.3	136.5	147.3	-167.6	0	0	0	0	108.5
322	E	37.9	Very low	36.3	Very low	186 Å²	186	142.5 Å²	142.5	87%	0.869	79%	0.792	S	S	*	*			trans	-105.5	153.5	-165.3	-56.4	177.1	148.5	0	0	112.3
323	G	35.1	Very low	37.2	Very low	79 Å²	79	140.6 Å²	140.6	81%	0.814	79%	0.792	S	S	*	*			trans	61.2	128.6	147.5	0	0	0	0	0	120.7
324	D	38.3	Very low	37.4	Very low	165 Å²	165	140.5 Å²	140.5	88%	0.882	79%	0.791	S	S	*	*				-156.8	158.9	94.7	-147.2	-10.1	0	0	0	110.4
325	D	44.2	Very low	37.9	Very low	144 Å²	144	141.2 Å²	141.2	77%	0.77	79%	0.794	S	S	*	*			trans	-92.6	150.6	-176.7	-69.9	-52.9	0	0	0	112.7
326	F	35.3	Very low	38.3	Very low	212 Å²	212	141.7 Å²	141.7	93%	0.93	79%	0.792	S	S	*	*			trans	-156.9	129.9	142.2	-134.5	-89.5	0	0	0	112.6
327	E	44.8	Very low	38.9	Very low	176 Å²	176	139.6 Å²	139.6	82%	0.822	80%	0.795	S	S	*	*			trans	-100.1	165.2	175.1	-70	-169.1	126.7	0	0	112.6
328	D	38.5	Very low	39.5	Very low	139 Å²	139	142.4 Å²	142.4	74%	0.743	81%	0.806	S	S	*	*			trans	61.1	107.8	160.1	-164.1	20.6	0	0	0	119.7	S330	D328-S330 PolarHBondContact OD1-N 2.93Å
329	A	36.6	Very low	39.9	Very low	102 Å²	102	143.9 Å²	143.9	84%	0.843	81%	0.812	S	S	*	*			trans	-148.4	99.1	133	0	0	0	0	0	109.1
330	S	39.8	Very low	39.9	Very low	99 Å²	99	149.6 Å²	149.6	69%	0.692	83%	0.825	S	S	*	*			trans	-77.1	156.5	170.9	53.3	0	0	0	0	113	D328	D328-S330 PolarHBondContact OD1-N 2.93Å
331	E	43.3	Very low	40.3	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	83%	0.833	S	S	*	*			trans	59.6	87.8	161.3	-165.4	172.4	-154.8	0	0	118.3
332	F	31	Very low	40	Very low	208 Å²	208	148.5 Å²	148.5	91%	0.912	83%	0.828	S	S	*	*				-155.9	131.9	124	-115.8	-76.4	0	0	0	110.5
333	G	50	Low	39.8	Very low	75 Å²	75	143.4 Å²	143.4	77%	0.773	83%	0.825	S	S	*	*			trans	-86.6	125.3	-170.4	0	0	0	0	0	114.6
334	V	34	Very low	39.6	Very low	139 Å²	139	145.9 Å²	145.9	84%	0.842	83%	0.825	S	S	*	*			trans	-141.6	142	155.8	-89.6	0	0	0	0	108.9
335	D	40.4	Very low	39.4	Very low	154 Å²	154	144 Å²	144	82%	0.824	82%	0.82	S	S	*	*			trans	-82.8	111.7	177.8	-178	16.9	0	0	0	109.4
336	D	41.2	Very low	39.1	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	82%	0.816	S	S	*	*			trans	-113.8	72.4	-177.1	-156.4	-6.8	0	0	0	110.6
337	S	42	Very low	39.3	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	81%	0.807	S	S	*	*			trans	-126.2	11.2	178.7	-128.5	0	0	0	0	113.8
338	E	48.8	Very low	39.3	Very low	194 Å²	194	138.5 Å²	138.5	91%	0.907	81%	0.811	S	S	*	*			trans	-111.4	45.7	-176.3	-68.5	-149.7	129.7	0	0	114.5
339	M	43.6	Very low	40.4	Very low	163 Å²	163	136.7 Å²	136.7	80%	0.803	80%	0.796	S	S	*	*	S	Bend	trans	-132.4	25.7	174.2	-154.9	159.2	-177.8	0	0	117.9
340	F	37.2	Very low	42.1	Very low	215 Å²	215	134.3 Å²	134.3	94%	0.943	77%	0.773	S	S	*	*			trans	-142	86.6	156.4	-87.5	-68.3	0	0	0	113	I342	F340-I342 PolarHBondContact O-N 3.28Å
341	G	41.8	Very low	43.9	Very low	86 Å²	86	132.6 Å²	132.6	89%	0.887	76%	0.76	S	S	*	*			trans	-77.8	97.9	-178.5	0	0	0	0	0	114.7
342	I	35.9	Very low	45.6	Very low	156 Å²	156	124.3 Å²	124.3	80%	0.8	72%	0.721	S	S	*	*			trans	-135.2	123.4	144.8	-92.4	164.9	0	0	0	106.9	F340 T344	F340-I342 PolarHBondContact O-N 3.28Å; I342-T344 PolarHBondContact O-N 3.09Å
343	G	33.6	Very low	48.2	Very low	78 Å²	78	114.4 Å²	114.4	80%	0.804	68%	0.678	S	S	*	*			trans	-75.4	80.5	-166.4	0	0	0	0	0	115.2	T345	G343-T345 PolarHBondContact O-N 2.75Å
344	T	32.1	Very low	49.4	Very low	132 Å²	132	112.9 Å²	112.9	81%	0.81	65%	0.654	S	S	*	*			trans	-88.7	80.2	147.4	52.1	0	0	0	0	108.9	I342 G346	I342-T344 PolarHBondContact O-N 3.09Å; T344-G346 VanDerWaalsContact C-N 3.34Å; T344-G346 PolarHBondContact O-N 3.46Å
345	T	32.4	Very low	50.9	Low	126 Å²	126	111.8 Å²	111.8	77%	0.773	64%	0.64	S	S	*	*			trans	-61.1	102.7	158.3	45.7	0	0	0	0	107.4	G343 C347	G343-T345 PolarHBondContact O-N 2.75Å; T345-C347 VanDerWaalsContact C-N 3.32Å; T345-C347 PolarHBondContact O-N 3.38Å
346	G	39.1	Very low	51.9	Low	66 Å²	66	111.5 Å²	111.5	68%	0.68	64%	0.638	S	S	*	*			trans	-57.7	103.7	160	0	0	0	0	0	106.3	T344 R348	T344-G346 VanDerWaalsContact C-N 3.34Å; T344-G346 PolarHBondContact O-N 3.46Å; G346-R348 PolarHBondContact O-N 3.03Å
347	C	39.6	Very low	53.1	Low	111 Å²	111	105.3 Å²	105.3	75%	0.75	61%	0.607	S	S	*	*			trans	-64.5	99.6	-171	-170.5	0	0	0	0	108.3	T345 K349	T345-C347 VanDerWaalsContact C-N 3.32Å; T345-C347 PolarHBondContact O-N 3.38Å; C347-K349 VanDerWaalsContact C-N 3.33Å; C347-K349 PolarHBondContact O-N 3.02Å
348	R	45.4	Very low	54.3	Low	239 Å²	239	108.9 Å²	108.9	90%	0.902	61%	0.612	S	S	*	*			trans	-62.8	99.5	173.7	-69.6	-175.3	179.7	178.6	1.4	105.8	G346 S350	G346-R348 PolarHBondContact O-N 3.03Å; R348-S350 PolarHBondContact O-N 3.07Å; R348-S350 VanDerWaalsContact O-N 3.16Å
349	K	60.9	Low	56	Low	101 Å²	101	103.4 Å²	103.4	44%	0.439	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-53	124	-175.6	-55.9	176.2	174.2	177.1	0	108.3	C347 D412 N418	C347-K349 VanDerWaalsContact C-N 3.33Å; C347-K349 PolarHBondContact O-N 3.02Å; K349-D412 VanDerWaalsContact CD-OD2 3.22Å; K349-D412 WeakPolarHBondContact CD-OD2 3.42Å; K349-D412 IonicContact NZ-OD1 3.79Å; K349-D412 PolarHBondContact NZ-OD1 2.85Å; K349-D412 IonicContact NZ-OD2 3.64Å; K349-N418 PolarHBondContact NZ-ND2 2.85Å; K349-N418 PolarHBondContact NZ-OD1 3.42Å
350	S	72.3	Confident	58.1	Low	52 Å²	52	97.4 Å²	97.4	36%	0.364	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-56.6	123.5	176	178.9	0	0	0	0	108.7	R348 M352 E370 R374	R348-S350 PolarHBondContact O-N 3.07Å; R348-S350 VanDerWaalsContact O-N 3.16Å; S350-M352 PolarHBondContact O-N 3.07Å; S350-E370 WeakPolarHBondContact CB-OE1 3.33Å; S350-E370 PolarHBondContact OG-OE1 3.48Å; S350-R374 PolarHBondContact O-NH2 2.91Å
351	P	76.8	Confident	60.7	Low	62 Å²	62	88.1 Å²	88.1	40%	0.403	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-56.8	135.5	-173.1	-27.6	35.5	0	0	0	112	M353 H366	P351-M353 PolarHBondContact O-N 2.83Å; P351-H366 PolarHBondContact O-CE1 2.96Å; P351-H366 VanDerWaalsContact O-CE1 3.28Å
352	M	80.1	Confident	63	Low	1 Å²	1	88.5 Å²	88.5	1%	0.005	50%	0.503	C	S	.	.	S	Bend	trans	-55.3	-39.7	-175.5	-66.8	-67.5	-64.1	0	0	111.7	S350 H366 F367 E370 F371 R374 D444	S350-M352 PolarHBondContact O-N 3.07Å; M352-H366 PolarHBondContact O-ND1 2.82Å; M352-F367 HydrophobicContact CB-CD2 3.9Å; M352-F367 HydrophobicContact CB-CE2 4.16Å; M352-F367 HydrophobicContact CE-CD1 4.49Å; M352-F367 HydrophobicContact CE-CD2 3.73Å; M352-F367 HydrophobicContact CE-CE1 4.23Å; M352-F367 HydrophobicContact CE-CE2 3.43Å; M352-F367 VanDerWaalsContact CE-CE2 3.43Å; M352-F367 HydrophobicContact CE-CG 4.25Å; M352-F367 HydrophobicContact CE-CZ 3.69Å; M352-F367 VanDerWaalsContact O-CA 3.26Å; M352-F367 WeakPolarHBondContact O-CA 3.32Å; M352-F367 PolarHBondContact O-N 3.17Å; M352-E370 HydrophobicContact CE-CB 4.41Å; M352-E370 HydrophobicContact SD-CB 4.03Å; M352-F371 HydrophobicContact CE-CB 3.89Å; M352-F371 HydrophobicContact CE-CD2 3.98Å; M352-F371 HydrophobicContact CE-CG 4.4Å; M352-R374 WeakPolarHBondContact SD-CD 3.33Å; M352-R374 PolarHBondContact SD-NE 3.36Å; M352-D444 HydrophobicContact CB-CB 4.21Å
353	M	85	Confident	65.5	Low	1 Å²	1	81 Å²	81	1%	0.005	47%	0.465	C	S	.	.	S	Bend	trans	-126.5	154.4	167.8	-71.5	-160.4	-79.6	0	0	115.1	P351 A363 F367 W443 D444	P351-M353 PolarHBondContact O-N 2.83Å; M353-A363 HydrophobicContact CG-CB 4.42Å; M353-A363 WeakPolarHBondContact CG-O 3.28Å; M353-A363 HydrophobicContact SD-CB 3.38Å; M353-A363 WeakPolarHBondContact SD-CB 3.5Å; M353-F367 HydrophobicContact CG-CB 3.76Å; M353-F367 HydrophobicContact CG-CD2 4.27Å; M353-F367 HydrophobicContact SD-CB 4.09Å; M353-W443 HydrophobicContact CE-CD2 3.64Å; M353-W443 HydrophobicContact CE-CE3 3.65Å; M353-W443 HydrophobicContact CE-CG 4.03Å; M353-W443 HydrophobicContact CE-CH2 4.41Å; M353-W443 HydrophobicContact CE-CZ2 4.42Å; M353-W443 HydrophobicContact CE-CZ3 4.05Å; M353-W443 HydrophobicContact SD-CE3 4.45Å; M353-W443 HydrophobicContact SD-CZ3 4.37Å; M353-D444 HydrophobicContact CB-CB 4.21Å; M353-D444 HydrophobicContact CE-CB 3.58Å; M353-D444 HydrophobicContact CG-CB 4.19Å; M353-D444 PolarHBondContact N-OD2 2.84Å
354	P	76.2	Confident	68.4	Low	43 Å²	43	77.3 Å²	77.3	28%	0.279	43%	0.427	S	S	.	.			trans	-60.6	164.3	167.9	-20.4	33.4	0	0	0	112.8	H366 N450	P354-H366 HydrophobicContact CG-CB 4.42Å; P354-N450 PolarHBondContact O-ND2 3.21Å
355	E	63.7	Low	71.2	Confident	115 Å²	115	75.4 Å²	75.4	54%	0.537	41%	0.411	S	S	.	.	S	Bend	trans	-83.1	-35.4	172	-80.3	153.2	-140.4	0	0	112.8	K447	E355-K447 HydrophobicContact CG-CD 3.46Å; E355-K447 VanDerWaalsContact CG-CD 3.46Å; E355-K447 WeakPolarHBondContact OE1-CD 3.42Å; E355-K447 WeakPolarHBondContact OE1-CE 3.48Å; E355-K447 IonicContact OE1-NZ 3.2Å; E355-K447 PolarHBondContact OE1-NZ 3.41Å
356	N	62	Low	74	Confident	149 Å²	149	72.7 Å²	72.7	80%	0.797	39%	0.389	S	S	*	.	S	Bend	trans	-113.3	19.6	-167.2	-62.7	-9.2	0	0	0	113.4	E358	N356-E358 PolarHBondContact O-N 2.85Å
357	S	66.3	Low	76.6	Confident	17 Å²	17	69.5 Å²	69.5	12%	0.119	36%	0.357	C	S	.	.			trans	-74.9	88.9	173.7	47.7	0	0	0	0	110.1	N359 A363 R453	S357-N359 VanDerWaalsContact C-N 3.26Å; S357-N359 PolarHBondContact O-N 2.88Å; S357-A363 WeakPolarHBondContact OG-CB 3.49Å; S357-R453 PolarHBondContact O-NH1 3.33Å
358	E	68.1	Low	79.1	Confident	179 Å²	179	65.2 Å²	65.2	84%	0.836	33%	0.327	S	S	*	.			trans	-55.2	-44.3	177.1	-64.9	-169.7	154.8	0	0	111.2	N356 R453	N356-E358 PolarHBondContact O-N 2.85Å; E358-R453 PolarHBondContact O-NH2 3.2Å
359	N	84.9	Confident	81.2	Confident	79 Å²	79	56.9 Å²	56.9	42%	0.422	31%	0.309	S	S	.	.	S	Bend	trans	-72.7	122.8	175.3	-174.6	10.3	0	0	0	112.2	S357 A361 D362 A363	S357-N359 VanDerWaalsContact C-N 3.26Å; S357-N359 PolarHBondContact O-N 2.88Å; N359-A361 VanDerWaalsContact C-N 3.32Å; N359-A361 PolarHBondContact O-N 2.84Å; N359-A361 PolarHBondContact OD1-N 2.93Å; N359-A361 VanDerWaalsContact OD1-N 3.09Å; N359-D362 HydrophobicContact CB-CB 4.31Å; N359-D362 WeakPolarHBondContact CB-OD2 3.47Å; N359-D362 PolarHBondContact ND2-OD1 3.03Å; N359-D362 PolarHBondContact ND2-OD2 2.88Å; N359-A363 PolarHBondContact O-N 2.85Å
360	E	87.9	Confident	82.7	Confident	37 Å²	37	53.7 Å²	53.7	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-37.1	175.4	-72.9	165.5	-127.2	0	0	112.2	A363 L364 S386 L387 W443 M457	E360-A363 WeakPolarHBondContact O-CB 3.22Å; E360-A363 PolarHBondContact O-N 2.78Å; E360-L364 WeakPolarHBondContact O-CD1 3.37Å; E360-L364 WeakPolarHBondContact O-CG 3.29Å; E360-L364 PolarHBondContact O-N 2.67Å; E360-S386 WeakPolarHBondContact OE2-CA 3.41Å; E360-S386 VanDerWaalsContact OE2-CB 3.24Å; E360-S386 WeakPolarHBondContact OE2-CB 3.31Å; E360-L387 PolarHBondContact OE2-N 3Å; E360-W443 HydrophobicContact CB-CZ3 4.3Å; E360-W443 HydrophobicContact CG-CH2 4.05Å; E360-W443 HydrophobicContact CG-CZ3 4.06Å; E360-M457 VanDerWaalsContact CD-CE 3.43Å; E360-M457 HydrophobicContact CG-CE 3.83Å; E360-M457 VanDerWaalsContact OE1-CE 3.32Å; E360-M457 WeakPolarHBondContact OE1-CE 3.34Å
361	A	90.3	Very high	83.6	Confident	21 Å²	21	51.2 Å²	51.2	17%	0.174	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-41.9	-177.8	0	0	0	0	0	112.6	N359 A363 L364 L365 I384	N359-A361 VanDerWaalsContact C-N 3.32Å; N359-A361 PolarHBondContact O-N 2.84Å; N359-A361 PolarHBondContact OD1-N 2.93Å; N359-A361 VanDerWaalsContact OD1-N 3.09Å; A361-A363 VanDerWaalsContact C-N 3.32Å; A361-L364 PolarHBondContact O-N 2.87Å; A361-L365 WeakPolarHBondContact O-CG 3.39Å; A361-L365 PolarHBondContact O-N 3.38Å; A361-I384 HydrophobicContact CB-CG2 4.22Å
362	D	90.1	Very high	84.3	Confident	93 Å²	93	50 Å²	50	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-68.8	-34.8	177.7	-60.5	-33.2	0	0	0	111.4	N359 L364 L365 H366	N359-D362 HydrophobicContact CB-CB 4.31Å; N359-D362 WeakPolarHBondContact CB-OD2 3.47Å; N359-D362 PolarHBondContact ND2-OD1 3.03Å; N359-D362 PolarHBondContact ND2-OD2 2.88Å; D362-L364 VanDerWaalsContact C-N 3.35Å; D362-L365 PolarHBondContact O-N 2.71Å; D362-H366 PolarHBondContact O-N 2.93Å; D362-H366 VanDerWaalsContact O-N 3.08Å
363	A	89.8	Confident	84.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-44.1	173.2	0	0	0	0	0	110.8	M353 S357 N359 E360 A361 H366 F367	M353-A363 HydrophobicContact CG-CB 4.42Å; M353-A363 WeakPolarHBondContact CG-O 3.28Å; M353-A363 HydrophobicContact SD-CB 3.38Å; M353-A363 WeakPolarHBondContact SD-CB 3.5Å; S357-A363 WeakPolarHBondContact OG-CB 3.49Å; N359-A363 PolarHBondContact O-N 2.85Å; E360-A363 WeakPolarHBondContact O-CB 3.22Å; E360-A363 PolarHBondContact O-N 2.78Å; A361-A363 VanDerWaalsContact C-N 3.32Å; A363-H366 WeakPolarHBondContact O-CB 3.42Å; A363-H366 PolarHBondContact O-N 3.42Å; A363-F367 PolarHBondContact O-N 3.37Å
364	L	92.7	Very high	85	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.4	-35	176.3	-75.1	158.1	0	0	0	113.7	E360 A361 D362 H366 F367 T368 I384 G385 W441 A442	E360-L364 WeakPolarHBondContact O-CD1 3.37Å; E360-L364 WeakPolarHBondContact O-CG 3.29Å; E360-L364 PolarHBondContact O-N 2.67Å; A361-L364 PolarHBondContact O-N 2.87Å; D362-L364 VanDerWaalsContact C-N 3.35Å; L364-H366 VanDerWaalsContact C-N 3.32Å; L364-F367 PolarHBondContact O-N 2.86Å; L364-T368 WeakPolarHBondContact O-CB 3.46Å; L364-T368 WeakPolarHBondContact O-CG2 3.45Å; L364-T368 PolarHBondContact O-N 3.36Å; L364-T368 PolarHBondContact O-OG1 3.37Å; L364-I384 HydrophobicContact CB-CD1 3.92Å; L364-G385 WeakPolarHBondContact CD1-O 3.19Å; L364-W441 HydrophobicContact CD1-CZ2 4.42Å; L364-A442 HydrophobicContact CD2-CB 4.33Å; L364-A442 WeakPolarHBondContact CD2-O 3.22Å
365	L	92.2	Very high	85.5	Confident	91 Å²	91	57.5 Å²	57.5	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-39.1	171.5	-74.3	170.3	0	0	0	111.4	A361 D362 T368 A369 I384	A361-L365 WeakPolarHBondContact O-CG 3.39Å; A361-L365 PolarHBondContact O-N 3.38Å; D362-L365 PolarHBondContact O-N 2.71Å; L365-T368 WeakPolarHBondContact CA-OG1 3.27Å; L365-T368 PolarHBondContact O-OG1 2.69Å; L365-T368 VanDerWaalsContact O-OG1 3.12Å; L365-A369 WeakPolarHBondContact O-CB 3.43Å; L365-A369 PolarHBondContact O-N 2.93Å; L365-A369 VanDerWaalsContact O-N 3.16Å; L365-I384 HydrophobicContact CD1-CG2 4.28Å; L365-I384 HydrophobicContact CD2-CD1 4.13Å; L365-I384 HydrophobicContact CD2-CG1 4.1Å; L365-I384 HydrophobicContact CD2-CG2 3.87Å; L365-I384 HydrophobicContact CG-CD1 4.46Å; L365-I384 HydrophobicContact CG-CG2 3.72Å
366	H	91.4	Very high	86.6	Confident	69 Å²	69	53.3 Å²	53.3	32%	0.319	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-46.9	172.5	-166.3	-74.3	0	0	0	111.8	P351 M352 P354 D362 A363 L364 T368 A369 E370	P351-H366 PolarHBondContact O-CE1 2.96Å; P351-H366 VanDerWaalsContact O-CE1 3.28Å; M352-H366 PolarHBondContact O-ND1 2.82Å; P354-H366 HydrophobicContact CG-CB 4.42Å; D362-H366 PolarHBondContact O-N 2.93Å; D362-H366 VanDerWaalsContact O-N 3.08Å; A363-H366 WeakPolarHBondContact O-CB 3.42Å; A363-H366 PolarHBondContact O-N 3.42Å; L364-H366 VanDerWaalsContact C-N 3.32Å; H366-T368 VanDerWaalsContact C-N 3.33Å; H366-T368 PolarHBondContact O-N 3.01Å; H366-A369 PolarHBondContact O-N 2.87Å; H366-E370 WeakPolarHBondContact O-CB 3.42Å; H366-E370 PolarHBondContact O-N 2.84Å
367	F	92.6	Very high	87.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.4	-47.5	177.6	179.6	-85.9	0	0	0	111.9	M352 M353 A363 L364 F371 F382 Y408 H410 A442 D444	M352-F367 HydrophobicContact CB-CD2 3.9Å; M352-F367 HydrophobicContact CB-CE2 4.16Å; M352-F367 HydrophobicContact CE-CD1 4.49Å; M352-F367 HydrophobicContact CE-CD2 3.73Å; M352-F367 HydrophobicContact CE-CE1 4.23Å; M352-F367 HydrophobicContact CE-CE2 3.43Å; M352-F367 VanDerWaalsContact CE-CE2 3.43Å; M352-F367 HydrophobicContact CE-CG 4.25Å; M352-F367 HydrophobicContact CE-CZ 3.69Å; M352-F367 VanDerWaalsContact O-CA 3.26Å; M352-F367 WeakPolarHBondContact O-CA 3.32Å; M352-F367 PolarHBondContact O-N 3.17Å; M353-F367 HydrophobicContact CG-CB 3.76Å; M353-F367 HydrophobicContact CG-CD2 4.27Å; M353-F367 HydrophobicContact SD-CB 4.09Å; A363-F367 PolarHBondContact O-N 3.37Å; L364-F367 PolarHBondContact O-N 2.86Å; F367-F371 HydrophobicContact CE1-CB 4.34Å; F367-F371 AromaticContact CE1-CD2 3.81Å; F367-F371 HydrophobicContact CE1-CD2 3.81Å; F367-F371 HydrophobicContact CE1-CG 4.45Å; F367-F371 AromaticContact CZ-CD2 3.86Å; F367-F371 HydrophobicContact CZ-CD2 3.86Å; F367-F371 VanDerWaalsContact O-CB 3.29Å; F367-F371 WeakPolarHBondContact O-CB 3.2Å; F367-F371 PolarHBondContact O-N 3.26Å; F367-F382 HydrophobicContact CE1-CE1 4.38Å; F367-F382 HydrophobicContact CE1-CE2 4.36Å; F367-F382 HydrophobicContact CE1-CZ 4.21Å; F367-Y408 HydrophobicContact CZ-CD1 4.17Å; F367-Y408 AromaticContact CZ-CE1 3.99Å; F367-Y408 HydrophobicContact CZ-CE1 3.99Å; F367-H410 HydrophobicContact CE2-CB 3.86Å; F367-H410 HydrophobicContact CZ-CB 4.27Å; F367-A442 HydrophobicContact CD1-CB 3.69Å; F367-A442 HydrophobicContact CE1-CB 3.37Å; F367-A442 HydrophobicContact CE2-CB 4.43Å; F367-A442 HydrophobicContact CG-CB 4.37Å; F367-A442 HydrophobicContact CZ-CB 3.8Å; F367-D444 HydrophobicContact CD2-CB 4.34Å
368	T	92	Very high	88.7	Confident	21 Å²	21	57.6 Å²	57.6	13%	0.129	32%	0.316	C	S	.	.	H	α-helix	trans	-67.3	-45.7	-178.3	46.5	0	0	0	0	111.8	L364 L365 H366 E370 F371 S372 F382 I384	L364-T368 WeakPolarHBondContact O-CB 3.46Å; L364-T368 WeakPolarHBondContact O-CG2 3.45Å; L364-T368 PolarHBondContact O-N 3.36Å; L364-T368 PolarHBondContact O-OG1 3.37Å; L365-T368 WeakPolarHBondContact CA-OG1 3.27Å; L365-T368 PolarHBondContact O-OG1 2.69Å; L365-T368 VanDerWaalsContact O-OG1 3.12Å; H366-T368 VanDerWaalsContact C-N 3.33Å; H366-T368 PolarHBondContact O-N 3.01Å; T368-E370 PolarHBondContact O-N 3.48Å; T368-F371 WeakPolarHBondContact O-CB 3.49Å; T368-F371 PolarHBondContact O-N 2.91Å; T368-F371 VanDerWaalsContact O-N 3.16Å; T368-S372 PolarHBondContact O-N 3.16Å; T368-S372 PolarHBondContact O-OG 2.97Å; T368-F382 HydrophobicContact CG2-CB 3.61Å; T368-F382 HydrophobicContact CG2-CD2 3.78Å; T368-F382 HydrophobicContact CG2-CG 4.03Å; T368-I384 HydrophobicContact CG2-CD1 3.94Å
369	A	91	Very high	89.8	Confident	63 Å²	63	50.8 Å²	50.8	52%	0.521	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-44.2	176.2	0	0	0	0	0	112.9	L365 H366 S373	L365-A369 WeakPolarHBondContact O-CB 3.43Å; L365-A369 PolarHBondContact O-N 2.93Å; L365-A369 VanDerWaalsContact O-N 3.16Å; H366-A369 PolarHBondContact O-N 2.87Å; A369-S373 VanDerWaalsContact O-CB 3.26Å; A369-S373 WeakPolarHBondContact O-CB 3.24Å; A369-S373 PolarHBondContact O-N 3.12Å
370	E	91.1	Very high	90.1	Very high	35 Å²	35	47 Å²	47	16%	0.164	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-39.5	173.5	-78.1	-69.8	164.5	0	0	111.9	S350 M352 H366 T368 S373 R374	S350-E370 WeakPolarHBondContact CB-OE1 3.33Å; S350-E370 PolarHBondContact OG-OE1 3.48Å; M352-E370 HydrophobicContact CE-CB 4.41Å; M352-E370 HydrophobicContact SD-CB 4.03Å; H366-E370 WeakPolarHBondContact O-CB 3.42Å; H366-E370 PolarHBondContact O-N 2.84Å; T368-E370 PolarHBondContact O-N 3.48Å; E370-S373 PolarHBondContact O-N 2.81Å; E370-R374 VanDerWaalsContact O-CB 3.26Å; E370-R374 WeakPolarHBondContact O-CB 3.37Å; E370-R374 VanDerWaalsContact O-CD 3.31Å; E370-R374 WeakPolarHBondContact O-CD 3.5Å; E370-R374 WeakPolarHBondContact O-CG 3.18Å; E370-R374 PolarHBondContact O-N 3.37Å; E370-R374 IonicContact OE2-NE 2.62Å
371	F	92.2	Very high	90.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-50.7	176.2	-164	-71.9	0	0	0	111.3	M352 F367 T368 S373 R374 Y375 H379 F382 Y408 C421 M425	M352-F371 HydrophobicContact CE-CB 3.89Å; M352-F371 HydrophobicContact CE-CD2 3.98Å; M352-F371 HydrophobicContact CE-CG 4.4Å; F367-F371 HydrophobicContact CE1-CB 4.34Å; F367-F371 AromaticContact CE1-CD2 3.81Å; F367-F371 HydrophobicContact CE1-CD2 3.81Å; F367-F371 HydrophobicContact CE1-CG 4.45Å; F367-F371 AromaticContact CZ-CD2 3.86Å; F367-F371 HydrophobicContact CZ-CD2 3.86Å; F367-F371 VanDerWaalsContact O-CB 3.29Å; F367-F371 WeakPolarHBondContact O-CB 3.2Å; F367-F371 PolarHBondContact O-N 3.26Å; T368-F371 WeakPolarHBondContact O-CB 3.49Å; T368-F371 PolarHBondContact O-N 2.91Å; T368-F371 VanDerWaalsContact O-N 3.16Å; F371-S373 VanDerWaalsContact C-N 3.28Å; F371-S373 PolarHBondContact O-N 2.89Å; F371-R374 PolarHBondContact O-N 3.42Å; F371-Y375 AromaticContact CD1-CD2 3.87Å; F371-Y375 HydrophobicContact CD1-CD2 3.87Å; F371-Y375 AromaticContact CD2-CD2 3.91Å; F371-Y375 HydrophobicContact CD2-CD2 3.91Å; F371-Y375 HydrophobicContact CD2-CE2 4.19Å; F371-Y375 AromaticContact CE1-CD2 3.88Å; F371-Y375 HydrophobicContact CE1-CD2 3.88Å; F371-Y375 HydrophobicContact CE1-CG 4.27Å; F371-Y375 AromaticContact CE2-CD2 3.96Å; F371-Y375 HydrophobicContact CE2-CD2 3.96Å; F371-Y375 HydrophobicContact CE2-CE2 4.26Å; F371-Y375 AromaticContact CG-CD2 3.87Å; F371-Y375 HydrophobicContact CG-CD2 3.87Å; F371-Y375 AromaticContact CZ-CD2 3.93Å; F371-Y375 HydrophobicContact CZ-CD2 3.93Å; F371-Y375 HydrophobicContact CZ-CG 4.46Å; F371-Y375 PolarHBondContact O-N 3.38Å; F371-H379 HydrophobicContact CD1-CB 3.79Å; F371-H379 HydrophobicContact CE1-CB 3.54Å; F371-F382 HydrophobicContact CD1-CE2 4.32Å; F371-F382 HydrophobicContact CD2-CE2 4.29Å; F371-F382 HydrophobicContact CD2-CZ 4.25Å; F371-F382 HydrophobicContact CE2-CE2 4.48Å; F371-F382 HydrophobicContact CE2-CZ 4.11Å; F371-F382 HydrophobicContact CG-CE2 4.21Å; F371-F382 HydrophobicContact CZ-CZ 4.37Å; F371-Y408 HydrophobicContact CE2-CE1 4.48Å; F371-C421 HydrophobicContact CE2-CB 4.29Å; F371-C421 WeakPolarHBondContact CE2-SG 3.34Å; F371-C421 HydrophobicContact CZ-CB 4.03Å; F371-M425 HydrophobicContact CZ-CB 4.03Å
372	S	91.4	Very high	90.4	Very high	37 Å²	37	51.7 Å²	51.7	26%	0.259	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-38.6	178.4	-42.5	0	0	0	0	111.6	T368 G376 H379	T368-S372 PolarHBondContact O-N 3.16Å; T368-S372 PolarHBondContact O-OG 2.97Å; S372-G376 WeakPolarHBondContact CA-O 3.47Å; S372-G376 CarbonylContact O-C 3.56Å; S372-G376 WeakPolarHBondContact O-CA 3.29Å; S372-G376 PolarHBondContact O-N 3.06Å; S372-H379 PolarHBondContact OG-NE2 3.38Å
373	S	90.2	Very high	90.7	Very high	101 Å²	101	49.6 Å²	49.6	71%	0.706	27%	0.269	S	S	*	.	H	α-helix	trans	-67.6	-40.1	177.6	-173.7	0	0	0	0	113.1	A369 E370 F371	A369-S373 VanDerWaalsContact O-CB 3.26Å; A369-S373 WeakPolarHBondContact O-CB 3.24Å; A369-S373 PolarHBondContact O-N 3.12Å; E370-S373 PolarHBondContact O-N 2.81Å; F371-S373 VanDerWaalsContact C-N 3.28Å; F371-S373 PolarHBondContact O-N 2.89Å
374	R	89.2	Confident	90.9	Very high	61 Å²	61	52.8 Å²	52.8	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-82.1	-36.8	-177.2	-73.6	161.1	160.1	-121.5	13.4	114.1	S350 M352 E370 F371 D412	S350-R374 PolarHBondContact O-NH2 2.91Å; M352-R374 WeakPolarHBondContact SD-CD 3.33Å; M352-R374 PolarHBondContact SD-NE 3.36Å; E370-R374 VanDerWaalsContact O-CB 3.26Å; E370-R374 WeakPolarHBondContact O-CB 3.37Å; E370-R374 VanDerWaalsContact O-CD 3.31Å; E370-R374 WeakPolarHBondContact O-CD 3.5Å; E370-R374 WeakPolarHBondContact O-CG 3.18Å; E370-R374 PolarHBondContact O-N 3.37Å; E370-R374 IonicContact OE2-NE 2.62Å; F371-R374 PolarHBondContact O-N 3.42Å; R374-D412 IonicContact CZ-OD2 3.99Å; R374-D412 VanDerWaalsContact CZ-OD2 3.27Å; R374-D412 IonicContact NH1-OD1 3.98Å; R374-D412 IonicContact NH1-OD2 3.93Å; R374-D412 PolarHBondContact NH1-OD2 2.78Å; R374-D412 IonicContact NH2-OD2 2.74Å; R374-D412 PolarHBondContact NH2-OD2 2.71Å
375	Y	87.6	Confident	90.9	Very high	39 Å²	39	53.3 Å²	53.3	15%	0.153	29%	0.291	C	S	.	.	H	α-helix	trans	-118.9	-15.8	-169.3	-55.7	-66.9	0	0	0	114.1	F371 N418 C421	F371-Y375 AromaticContact CD1-CD2 3.87Å; F371-Y375 HydrophobicContact CD1-CD2 3.87Å; F371-Y375 AromaticContact CD2-CD2 3.91Å; F371-Y375 HydrophobicContact CD2-CD2 3.91Å; F371-Y375 HydrophobicContact CD2-CE2 4.19Å; F371-Y375 AromaticContact CE1-CD2 3.88Å; F371-Y375 HydrophobicContact CE1-CD2 3.88Å; F371-Y375 HydrophobicContact CE1-CG 4.27Å; F371-Y375 AromaticContact CE2-CD2 3.96Å; F371-Y375 HydrophobicContact CE2-CD2 3.96Å; F371-Y375 HydrophobicContact CE2-CE2 4.26Å; F371-Y375 AromaticContact CG-CD2 3.87Å; F371-Y375 HydrophobicContact CG-CD2 3.87Å; F371-Y375 AromaticContact CZ-CD2 3.93Å; F371-Y375 HydrophobicContact CZ-CD2 3.93Å; F371-Y375 HydrophobicContact CZ-CG 4.46Å; F371-Y375 PolarHBondContact O-N 3.38Å; Y375-N418 PolarHBondContact OH-OD1 3.17Å; Y375-C421 HydrophobicContact CD1-CB 3.6Å; Y375-C421 HydrophobicContact CD2-CB 3.86Å; Y375-C421 HydrophobicContact CE1-CB 3.53Å; Y375-C421 HydrophobicContact CE2-CB 3.79Å; Y375-C421 HydrophobicContact CG-CB 3.78Å
376	G	85.9	Confident	91	Very high	27 Å²	27	50.8 Å²	50.8	28%	0.278	28%	0.281	S	S	.	.			trans	111.1	166.2	179.7	0	0	0	0	0	113.7	S372 T378	S372-G376 WeakPolarHBondContact CA-O 3.47Å; S372-G376 CarbonylContact O-C 3.56Å; S372-G376 WeakPolarHBondContact O-CA 3.29Å; S372-G376 PolarHBondContact O-N 3.06Å; G376-T378 PolarHBondContact O-N 2.9Å
377	E	84.8	Confident	91	Very high	186 Å²	186	47.5 Å²	47.5	87%	0.869	27%	0.266	S	S	*	.	S	Bend	trans	-67.5	-16.2	-177	-60	-179.7	164.1	0	0	113.8	H379	E377-H379 PolarHBondContact O-N 2.98Å
378	T	87.8	Confident	90.9	Very high	71 Å²	71	51.5 Å²	51.5	44%	0.436	29%	0.285	S	S	.	.			trans	-85.1	89.4	178.8	48.9	0	0	0	0	111.1	G376 C426	G376-T378 PolarHBondContact O-N 2.9Å; T378-C426 VanDerWaalsContact O-CA 3.3Å; T378-C426 WeakPolarHBondContact O-CA 3.2Å; T378-C426 WeakPolarHBondContact O-CB 3.39Å; T378-C426 PolarHBondContact O-SG 3.16Å; T378-C426 VanDerWaalsContact O-SG 3.41Å
379	H	90.9	Very high	90.9	Very high	35 Å²	35	52 Å²	52	16%	0.162	29%	0.291	C	S	.	.			trans	-146.1	167.4	177	62.9	75.8	0	0	0	111.8	F371 S372 E377 F382 V431	F371-H379 HydrophobicContact CD1-CB 3.79Å; F371-H379 HydrophobicContact CE1-CB 3.54Å; S372-H379 PolarHBondContact OG-NE2 3.38Å; E377-H379 PolarHBondContact O-N 2.98Å; H379-F382 HydrophobicContact CB-CE2 4.28Å; H379-F382 AromaticContact ND1-CD2 3.75Å; H379-F382 AromaticContact ND1-CE2 3.7Å; H379-V431 WeakPolarHBondContact O-CG1 3.44Å
380	P	91.1	Very high	91	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.			trans	-65.6	153.2	178	-19.8	35.8	0	0	0	111.3	F382 M425 V431 L434 T440	P380-F382 VanDerWaalsContact O-CD2 3.22Å; P380-F382 WeakPolarHBondContact O-CD2 3.46Å; P380-F382 PolarHBondContact O-N 3.4Å; P380-M425 WeakPolarHBondContact CD-O 3.18Å; P380-M425 HydrophobicContact CG-CE 3.85Å; P380-M425 HydrophobicContact CG-SD 4.43Å; P380-V431 HydrophobicContact CG-CG2 4.38Å; P380-L434 HydrophobicContact CB-CB 4.42Å; P380-L434 HydrophobicContact CB-CD1 4.24Å; P380-L434 HydrophobicContact CG-CD1 3.85Å; P380-T440 HydrophobicContact CB-CG2 4.25Å
381	M	90.9	Very high	91	Very high	143 Å²	143	47.6 Å²	47.6	70%	0.704	26%	0.26	S	S	*	.			trans	-71	97	172.1	-71.1	-60.7	-62.6	0	0	109.4
382	F	94.4	Very high	90.9	Very high	13 Å²	13	53.5 Å²	53.5	6%	0.057	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-74.9	132.4	175.9	-62.2	-74	0	0	0	110.8	F367 T368 F371 H379 P380 I384 Y408 M425 T440 A442	F367-F382 HydrophobicContact CE1-CE1 4.38Å; F367-F382 HydrophobicContact CE1-CE2 4.36Å; F367-F382 HydrophobicContact CE1-CZ 4.21Å; T368-F382 HydrophobicContact CG2-CB 3.61Å; T368-F382 HydrophobicContact CG2-CD2 3.78Å; T368-F382 HydrophobicContact CG2-CG 4.03Å; F371-F382 HydrophobicContact CD1-CE2 4.32Å; F371-F382 HydrophobicContact CD2-CE2 4.29Å; F371-F382 HydrophobicContact CD2-CZ 4.25Å; F371-F382 HydrophobicContact CE2-CE2 4.48Å; F371-F382 HydrophobicContact CE2-CZ 4.11Å; F371-F382 HydrophobicContact CG-CE2 4.21Å; F371-F382 HydrophobicContact CZ-CZ 4.37Å; H379-F382 HydrophobicContact CB-CE2 4.28Å; H379-F382 AromaticContact ND1-CD2 3.75Å; H379-F382 AromaticContact ND1-CE2 3.7Å; P380-F382 VanDerWaalsContact O-CD2 3.22Å; P380-F382 WeakPolarHBondContact O-CD2 3.46Å; P380-F382 PolarHBondContact O-N 3.4Å; F382-I384 PolarHBondContact O-N 2.87Å; F382-Y408 HydrophobicContact CE1-CD1 4.44Å; F382-M425 HydrophobicContact CE1-CE 3.88Å; F382-M425 HydrophobicContact CZ-CE 3.92Å; F382-T440 CarbonylContact C-O 3.5Å; F382-T440 WeakPolarHBondContact CA-O 3.08Å; F382-T440 HydrophobicContact CD1-CG2 3.86Å; F382-T440 HydrophobicContact CE1-CG2 3.96Å; F382-A442 HydrophobicContact CD1-CB 3.67Å; F382-A442 HydrophobicContact CE1-CB 3.9Å; F382-A442 HydrophobicContact CG-CB 4.42Å
383	Y	95.5	Very high	90.8	Very high	49 Å²	49	57.1 Å²	57.1	19%	0.192	30%	0.3	C	S	.	.			trans	-72.6	119.5	-179.5	-169.4	-93.4	0	0	0	111.2	G385 A389 A390 E393 I439 T440	Y383-G385 PolarHBondContact O-N 3.28Å; Y383-A389 HydrophobicContact CE1-CB 4Å; Y383-A390 HydrophobicContact CD1-CB 3.61Å; Y383-A390 HydrophobicContact CE1-CB 3.95Å; Y383-A390 HydrophobicContact CG-CB 4.15Å; Y383-E393 HydrophobicContact CE2-CB 4.45Å; Y383-E393 VanDerWaalsContact CE2-CD 3.49Å; Y383-E393 WeakPolarHBondContact CE2-OE2 3.38Å; Y383-E393 PolarHBondContact OH-OE2 3.37Å; Y383-I439 HydrophobicContact CD2-CG2 3.85Å; Y383-I439 HydrophobicContact CG-CG2 4Å; Y383-T440 WeakPolarHBondContact CB-O 3.38Å; Y383-T440 PolarHBondContact N-O 3.45Å
384	I	94.4	Very high	90.9	Very high	68 Å²	68	52.3 Å²	52.3	35%	0.349	27%	0.267	S	S	.	.			trans	-91.4	92.2	178.8	-54.2	-56.4	0	0	0	109.3	A361 L364 L365 T368 F382	A361-I384 HydrophobicContact CB-CG2 4.22Å; L364-I384 HydrophobicContact CB-CD1 3.92Å; L365-I384 HydrophobicContact CD1-CG2 4.28Å; L365-I384 HydrophobicContact CD2-CD1 4.13Å; L365-I384 HydrophobicContact CD2-CG1 4.1Å; L365-I384 HydrophobicContact CD2-CG2 3.87Å; L365-I384 HydrophobicContact CG-CD1 4.46Å; L365-I384 HydrophobicContact CG-CG2 3.72Å; T368-I384 HydrophobicContact CG2-CD1 3.94Å; F382-I384 PolarHBondContact O-N 2.87Å
385	G	93.1	Very high	90.9	Very high	10 Å²	10	50 Å²	50	10%	0.103	26%	0.258	C	S	.	.	S	Bend	trans	175.2	177.1	-179	0	0	0	0	0	111.7	L364 Y383 W441	L364-G385 WeakPolarHBondContact CD1-O 3.19Å; Y383-G385 PolarHBondContact O-N 3.28Å; G385-W441 PolarHBondContact O-NE1 2.96Å
386	S	92.6	Very high	90.6	Very high	38 Å²	38	55.5 Å²	55.5	27%	0.266	28%	0.28	S	S	.	.			trans	-66.4	157.7	176	64.1	0	0	0	0	111.8	E360 E388 A389 A390	E360-S386 WeakPolarHBondContact OE2-CA 3.41Å; E360-S386 VanDerWaalsContact OE2-CB 3.24Å; E360-S386 WeakPolarHBondContact OE2-CB 3.31Å; S386-E388 PolarHBondContact O-N 3.24Å; S386-E388 VanDerWaalsContact O-N 3.16Å; S386-A389 PolarHBondContact O-N 3.08Å; S386-A389 VanDerWaalsContact O-N 3.08Å; S386-A389 PolarHBondContact OG-N 3.38Å; S386-A390 PolarHBondContact O-N 3.4Å
387	L	91.3	Very high	90.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-28.7	173.9	-179.4	58.2	0	0	0	112.1	E360 S391 L405 I407 W441 M457 F462	E360-L387 PolarHBondContact OE2-N 3Å; L387-S391 WeakPolarHBondContact O-CB 3.48Å; L387-S391 PolarHBondContact O-N 2.94Å; L387-S391 PolarHBondContact O-OG 2.99Å; L387-L405 HydrophobicContact CD1-CD2 4.15Å; L387-I407 HydrophobicContact CD1-CD1 3.83Å; L387-I407 HydrophobicContact CD1-CG1 4.23Å; L387-W441 HydrophobicContact CB-CD2 4.5Å; L387-W441 HydrophobicContact CB-CH2 3.91Å; L387-W441 HydrophobicContact CB-CZ2 3.76Å; L387-W441 HydrophobicContact CB-CZ3 4.34Å; L387-W441 HydrophobicContact CD1-CD2 3.97Å; L387-W441 HydrophobicContact CD1-CE3 3.81Å; L387-W441 HydrophobicContact CD1-CH2 4.49Å; L387-W441 HydrophobicContact CD1-CZ3 4.07Å; L387-W441 HydrophobicContact CD2-CH2 4.46Å; L387-W441 HydrophobicContact CD2-CZ3 4.34Å; L387-W441 HydrophobicContact CG-CZ3 4.48Å; L387-M457 HydrophobicContact CD2-CB 4.01Å; L387-F462 HydrophobicContact CD1-CZ 4.46Å; L387-F462 HydrophobicContact CD2-CE2 4.05Å; L387-F462 HydrophobicContact CD2-CZ 4.24Å
388	E	90.8	Very high	90.3	Very high	84 Å²	84	53.4 Å²	53.4	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-69.9	-41.7	175.4	-175.6	159.2	-141.2	0	0	112.7	S386 S391 Q392 R460	S386-E388 PolarHBondContact O-N 3.24Å; S386-E388 VanDerWaalsContact O-N 3.16Å; E388-S391 PolarHBondContact O-OG 3.31Å; E388-S391 VanDerWaalsContact O-OG 3.08Å; E388-Q392 VanDerWaalsContact O-CB 3.31Å; E388-Q392 WeakPolarHBondContact O-CB 3.42Å; E388-Q392 PolarHBondContact O-N 3.08Å; E388-R460 IonicContact OE1-CZ 2.94Å; E388-R460 IonicContact OE1-NH1 2.75Å; E388-R460 PolarHBondContact OE1-NH1 2.84Å; E388-R460 IonicContact OE1-NH2 2.74Å; E388-R460 IonicContact OE2-CZ 3.96Å; E388-R460 IonicContact OE2-NH1 3.27Å; E388-R460 PolarHBondContact OE2-NH1 3.24Å; E388-R460 IonicContact OE2-NH2 3.19Å; E388-R460 PolarHBondContact OE2-NH2 3.27Å
389	A	92.4	Very high	90.2	Very high	31 Å²	31	50 Å²	50	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-66.4	-41.6	173.2	0	0	0	0	0	111.4	Y383 S386 S391 Q392 E393	Y383-A389 HydrophobicContact CE1-CB 4Å; S386-A389 PolarHBondContact O-N 3.08Å; S386-A389 VanDerWaalsContact O-N 3.08Å; S386-A389 PolarHBondContact OG-N 3.38Å; A389-S391 PolarHBondContact O-N 3.16Å; A389-Q392 PolarHBondContact O-N 3.24Å; A389-E393 PolarHBondContact O-N 2.92Å
390	A	93.1	Very high	89.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-40.6	177.1	0	0	0	0	0	112.6	Y383 S386 A394 L405 I439 W441	Y383-A390 HydrophobicContact CD1-CB 3.61Å; Y383-A390 HydrophobicContact CE1-CB 3.95Å; Y383-A390 HydrophobicContact CG-CB 4.15Å; S386-A390 PolarHBondContact O-N 3.4Å; A390-A394 VanDerWaalsContact O-CB 3.32Å; A390-A394 WeakPolarHBondContact O-CB 3.46Å; A390-A394 PolarHBondContact O-N 3.47Å; A390-L405 HydrophobicContact CB-CD1 3.92Å; A390-I439 HydrophobicContact CB-CG2 4.33Å; A390-W441 HydrophobicContact CB-CB 4.33Å; A390-W441 HydrophobicContact CB-CG 4.2Å
391	S	91.3	Very high	89.6	Confident	5 Å²	5	60.9 Å²	60.9	4%	0.035	30%	0.299	C	S	.	.	H	α-helix	trans	-72.3	-33.6	174.6	68.9	0	0	0	0	112.4	L387 E388 A389 F395	L387-S391 WeakPolarHBondContact O-CB 3.48Å; L387-S391 PolarHBondContact O-N 2.94Å; L387-S391 PolarHBondContact O-OG 2.99Å; E388-S391 PolarHBondContact O-OG 3.31Å; E388-S391 VanDerWaalsContact O-OG 3.08Å; A389-S391 PolarHBondContact O-N 3.16Å; S391-F395 WeakPolarHBondContact O-CB 3.49Å; S391-F395 VanDerWaalsContact O-CD2 3.28Å; S391-F395 WeakPolarHBondContact O-CD2 3.41Å; S391-F395 WeakPolarHBondContact O-CG 3.29Å; S391-F395 PolarHBondContact O-N 2.96Å
392	Q	89.8	Confident	89.5	Confident	124 Å²	124	55.9 Å²	55.9	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-62.3	-49.1	173.1	-168	171.1	-3.4	0	0	111.3	E388 A389 Y396	E388-Q392 VanDerWaalsContact O-CB 3.31Å; E388-Q392 WeakPolarHBondContact O-CB 3.42Å; E388-Q392 PolarHBondContact O-N 3.08Å; A389-Q392 PolarHBondContact O-N 3.24Å; Q392-Y396 HydrophobicContact CG-CG 4.47Å; Q392-Y396 WeakPolarHBondContact O-CA 3.49Å; Q392-Y396 WeakPolarHBondContact O-CB 3.42Å; Q392-Y396 PolarHBondContact O-N 3.19Å
393	E	90.8	Very high	89.4	Confident	114 Å²	114	58.6 Å²	58.6	53%	0.533	28%	0.284	S	S	.	.	H	α-helix	trans	-70.2	-32.3	-179	-164	170.6	132.7	0	0	113.2	Y383 A389	Y383-E393 HydrophobicContact CE2-CB 4.45Å; Y383-E393 VanDerWaalsContact CE2-CD 3.49Å; Y383-E393 WeakPolarHBondContact CE2-OE2 3.38Å; Y383-E393 PolarHBondContact OH-OE2 3.37Å; A389-E393 PolarHBondContact O-N 2.92Å
394	A	91	Very high	89.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-47.5	174.2	0	0	0	0	0	112.5	A390 R402 K403 L405 I439	A390-A394 VanDerWaalsContact O-CB 3.32Å; A390-A394 WeakPolarHBondContact O-CB 3.46Å; A390-A394 PolarHBondContact O-N 3.47Å; A394-R402 WeakPolarHBondContact O-CA 3.37Å; A394-K403 PolarHBondContact O-N 2.73Å; A394-K403 VanDerWaalsContact O-O 3.06Å; A394-L405 HydrophobicContact CB-CB 4.03Å; A394-L405 HydrophobicContact CB-CD1 4.5Å; A394-I439 HydrophobicContact CB-CB 4.22Å; A394-I439 HydrophobicContact CB-CG1 3.85Å
395	F	89.1	Confident	89.4	Confident	13 Å²	13	53 Å²	53	6%	0.057	26%	0.258	C	S	.	.	H	α-helix	trans	-108.3	-26.3	-163.7	-47.5	-37.6	0	0	0	115	S391 G397 R402 L405 V484 G486 N491	S391-F395 WeakPolarHBondContact O-CB 3.49Å; S391-F395 VanDerWaalsContact O-CD2 3.28Å; S391-F395 WeakPolarHBondContact O-CD2 3.41Å; S391-F395 WeakPolarHBondContact O-CG 3.29Å; S391-F395 PolarHBondContact O-N 2.96Å; F395-G397 PolarHBondContact O-N 3.08Å; F395-R402 WeakPolarHBondContact O-CD 3.32Å; F395-R402 WeakPolarHBondContact O-CG 3.33Å; F395-R402 PolarHBondContact O-NE 2.8Å; F395-L405 HydrophobicContact CE1-CB 3.75Å; F395-L405 HydrophobicContact CE2-CB 4.47Å; F395-L405 HydrophobicContact CE2-CD2 4.28Å; F395-L405 HydrophobicContact CZ-CB 3.5Å; F395-L405 VanDerWaalsContact CZ-CB 3.5Å; F395-L405 HydrophobicContact CZ-CD2 4.01Å; F395-L405 HydrophobicContact CZ-CG 4.42Å; F395-V484 WeakPolarHBondContact CE1-O 3.23Å; F395-V484 HydrophobicContact CE2-CG1 4.25Å; F395-V484 HydrophobicContact CZ-CB 4.02Å; F395-V484 HydrophobicContact CZ-CG1 3.82Å; F395-G486 VanDerWaalsContact CD1-N 3.25Å; F395-N491 WeakPolarHBondContact CD2-OD1 3.37Å; F395-N491 HydrophobicContact CE2-CB 4.25Å; F395-N491 WeakPolarHBondContact CE2-OD1 3.34Å
396	Y	81.4	Confident	89.6	Confident	154 Å²	154	52.6 Å²	52.6	60%	0.604	25%	0.253	S	S	*	.	S	Bend	trans	-104.3	77.1	-167.6	-64.1	-104	0	0	0	111.5	Q392	Q392-Y396 HydrophobicContact CG-CG 4.47Å; Q392-Y396 WeakPolarHBondContact O-CA 3.49Å; Q392-Y396 WeakPolarHBondContact O-CB 3.42Å; Q392-Y396 PolarHBondContact O-N 3.19Å
397	G	82.2	Confident	89.7	Confident	40 Å²	40	50.9 Å²	50.9	41%	0.412	24%	0.241	S	C	.	.	S	Bend	trans	-152.1	-175.9	172.4	0	0	0	0	0	111.9	F395 R402	F395-G397 PolarHBondContact O-N 3.08Å; G397-R402 PolarHBondContact O-NE 2.91Å
398	K	83.6	Confident	90	Very high	129 Å²	129	50.9 Å²	50.9	56%	0.561	24%	0.241	S	C	*	.			trans	-51.9	144.9	167	-62.3	-169.7	170.7	-142.8	0	109.2	R400 D401	K398-R400 PolarHBondContact O-N 3.01Å; K398-D401 PolarHBondContact O-N 2.7Å
399	A	83.7	Confident	90.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.8	-35.9	-174.2	0	0	0	0	0	113	D401 Q521 D524 I525 E528	A399-D401 PolarHBondContact O-N 2.83Å; A399-Q521 WeakPolarHBondContact O-CG 3.44Å; A399-Q521 PolarHBondContact O-NE2 3.3Å; A399-D524 HydrophobicContact CB-CB 3.95Å; A399-I525 HydrophobicContact CB-CB 4.3Å; A399-I525 HydrophobicContact CB-CG1 3.53Å; A399-E528 WeakPolarHBondContact CB-OE2 3.49Å; A399-E528 PolarHBondContact N-OE2 2.99Å
400	R	83.9	Confident	90.3	Very high	150 Å²	150	45.4 Å²	45.4	57%	0.566	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-66	-26.9	178.2	-59.6	-175.8	-177.9	161.2	5.6	115.5	K398 Q521 I525 D529	K398-R400 PolarHBondContact O-N 3.01Å; R400-Q521 PolarHBondContact O-NE2 2.76Å; R400-I525 HydrophobicContact CB-CD1 4.41Å; R400-I525 HydrophobicContact CG-CD1 3.7Å; R400-I525 HydrophobicContact CG-CG1 3.64Å; R400-I525 HydrophobicContact CG-CG2 4.15Å; R400-D529 IonicContact CZ-OD1 2.72Å; R400-D529 IonicContact CZ-OD2 3.66Å; R400-D529 IonicContact NH2-OD1 2.65Å; R400-D529 PolarHBondContact NH2-OD1 3.39Å; R400-D529 IonicContact NH2-OD2 3.84Å; R400-D529 PolarHBondContact NH2-OD2 2.79Å
401	D	86.4	Confident	90.2	Very high	113 Å²	113	45.9 Å²	45.9	60%	0.604	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-99.3	-10	-170.7	-58.2	-43.5	0	0	0	113.1	K398 A399	K398-D401 PolarHBondContact O-N 2.7Å; A399-D401 PolarHBondContact O-N 2.83Å
402	R	89.3	Confident	90.2	Very high	38 Å²	38	47 Å²	47	14%	0.143	22%	0.218	C	C	.	.			trans	-66.4	156.7	-179.2	-59.5	-179.4	-161.2	155	13.2	112.5	A394 F395 G397 F517 Q521 D524	A394-R402 WeakPolarHBondContact O-CA 3.37Å; F395-R402 WeakPolarHBondContact O-CD 3.32Å; F395-R402 WeakPolarHBondContact O-CG 3.33Å; F395-R402 PolarHBondContact O-NE 2.8Å; G397-R402 PolarHBondContact O-NE 2.91Å; R402-F517 HydrophobicContact CB-CE2 4.5Å; R402-F517 HydrophobicContact CB-CZ 4.06Å; R402-F517 WeakPolarHBondContact O-CZ 2.99Å; R402-Q521 PolarHBondContact O-NE2 2.78Å; R402-D524 IonicContact CZ-OD2 2.78Å; R402-D524 IonicContact NH1-OD2 2.63Å; R402-D524 PolarHBondContact NH1-OD2 2.62Å; R402-D524 IonicContact NH2-OD2 2.79Å; R402-D524 PolarHBondContact NH2-OD2 2.79Å
403	K	92.1	Very high	90.2	Very high	70 Å²	70	46.6 Å²	46.6	30%	0.304	22%	0.22	S	C	.	.			trans	-137.3	169.5	176.8	-64.3	-166	-177.5	-166.7	0	111.8	A394 Q436 I439	A394-K403 PolarHBondContact O-N 2.73Å; A394-K403 VanDerWaalsContact O-O 3.06Å; K403-Q436 PolarHBondContact NZ-O 3.02Å; K403-I439 HydrophobicContact CB-CG1 4.44Å; K403-I439 HydrophobicContact CD-CD1 4.17Å
404	L	94.5	Very high	90.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	152	166.5	-71.1	173.2	0	0	0	111.1	F438 I439 I483 M485 L494 A513 M514 F517	L404-F438 HydrophobicContact CB-CD1 3.42Å; L404-F438 VanDerWaalsContact CB-CD1 3.42Å; L404-F438 HydrophobicContact CB-CE1 3.48Å; L404-F438 VanDerWaalsContact CB-CE1 3.48Å; L404-F438 HydrophobicContact CB-CG 4.28Å; L404-F438 HydrophobicContact CB-CZ 4.34Å; L404-F438 HydrophobicContact CD1-CD1 4.34Å; L404-F438 HydrophobicContact CD1-CE1 3.52Å; L404-F438 HydrophobicContact CD1-CZ 3.78Å; L404-F438 HydrophobicContact CG-CE1 4.16Å; L404-F438 CarbonylContact O-C 3.57Å; L404-F438 VanDerWaalsContact O-CA 3.26Å; L404-F438 WeakPolarHBondContact O-CA 3.4Å; L404-I439 PolarHBondContact O-N 3.44Å; L404-I483 HydrophobicContact CB-CG2 4.5Å; L404-I483 HydrophobicContact CD1-CG2 4.11Å; L404-I483 HydrophobicContact CD2-CG2 4.43Å; L404-M485 HydrophobicContact CD2-CB 3.82Å; L404-M485 HydrophobicContact CD2-CG 4.39Å; L404-L494 HydrophobicContact CD2-CD1 4.06Å; L404-A513 HydrophobicContact CD1-CB 4.16Å; L404-M514 HydrophobicContact CD1-SD 4.31Å; L404-F517 HydrophobicContact CD1-CB 3.86Å; L404-F517 HydrophobicContact CD1-CG 4.22Å; L404-F517 HydrophobicContact CD2-CB 3.99Å; L404-F517 HydrophobicContact CD2-CD2 3.68Å; L404-F517 HydrophobicContact CD2-CE2 4.47Å; L404-F517 HydrophobicContact CD2-CG 3.97Å; L404-F517 HydrophobicContact CG-CB 3.94Å; L404-F517 HydrophobicContact CG-CD1 4.38Å; L404-F517 HydrophobicContact CG-CD2 3.9Å; L404-F517 HydrophobicContact CG-CG 3.8Å
405	L	95.7	Very high	90.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.7	173.5	179.6	71.9	0	0	0	109	L387 A390 A394 F395 I407 I439 W441 V484	L387-L405 HydrophobicContact CD1-CD2 4.15Å; A390-L405 HydrophobicContact CB-CD1 3.92Å; A394-L405 HydrophobicContact CB-CB 4.03Å; A394-L405 HydrophobicContact CB-CD1 4.5Å; F395-L405 HydrophobicContact CE1-CB 3.75Å; F395-L405 HydrophobicContact CE2-CB 4.47Å; F395-L405 HydrophobicContact CE2-CD2 4.28Å; F395-L405 HydrophobicContact CZ-CB 3.5Å; F395-L405 VanDerWaalsContact CZ-CB 3.5Å; F395-L405 HydrophobicContact CZ-CD2 4.01Å; F395-L405 HydrophobicContact CZ-CG 4.42Å; L405-I407 HydrophobicContact CD2-CD1 4.02Å; L405-I407 HydrophobicContact CD2-CG1 4.06Å; L405-I407 HydrophobicContact CG-CG1 4.06Å; L405-I439 WeakPolarHBondContact CA-O 3.27Å; L405-I439 HydrophobicContact CD1-CB 4.03Å; L405-I439 HydrophobicContact CD1-CG2 3.94Å; L405-W441 HydrophobicContact CD1-CB 4.38Å; L405-V484 HydrophobicContact CB-CB 4.28Å; L405-V484 PolarHBondContact N-O 2.64Å; L405-V484 PolarHBondContact O-N 3Å
406	A	96.6	Very high	90.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.6	178	0	0	0	0	0	109.7	L434 F438 I439 T440 W441 L481 L482	A406-L434 HydrophobicContact CB-CD2 4.24Å; A406-F438 HydrophobicContact CB-CB 4.07Å; A406-F438 HydrophobicContact CB-CD1 3.91Å; A406-F438 HydrophobicContact CB-CG 4.28Å; A406-I439 PolarHBondContact N-O 3.2Å; A406-T440 CarbonylContact O-C 3.6Å; A406-T440 WeakPolarHBondContact O-CA 3.03Å; A406-W441 PolarHBondContact O-N 2.72Å; A406-L481 HydrophobicContact CB-CD1 4.23Å; A406-L482 WeakPolarHBondContact CA-O 3.47Å
407	I	95.8	Very high	90.7	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.1	-179.6	-61.8	173.1	0	0	0	108.9	L387 L405 L409 W441 F462 L481 L482 V484	L387-I407 HydrophobicContact CD1-CD1 3.83Å; L387-I407 HydrophobicContact CD1-CG1 4.23Å; L405-I407 HydrophobicContact CD2-CD1 4.02Å; L405-I407 HydrophobicContact CD2-CG1 4.06Å; L405-I407 HydrophobicContact CG-CG1 4.06Å; I407-L409 HydrophobicContact CG2-CD2 3.6Å; I407-L409 HydrophobicContact CG2-CG 4.19Å; I407-W441 CarbonylContact C-O 3.57Å; I407-W441 WeakPolarHBondContact CA-O 3.29Å; I407-W441 HydrophobicContact CG2-CE3 4.12Å; I407-W441 HydrophobicContact CG2-CZ3 4.38Å; I407-F462 HydrophobicContact CD1-CE2 3.62Å; I407-F462 HydrophobicContact CD1-CZ 3.59Å; I407-L481 WeakPolarHBondContact O-CA 3.3Å; I407-L482 HydrophobicContact CB-CB 4.27Å; I407-L482 PolarHBondContact N-O 3.26Å; I407-L482 PolarHBondContact O-N 3.39Å; I407-V484 HydrophobicContact CD1-CG2 3.91Å; I407-V484 HydrophobicContact CG1-CG2 4.43Å
408	Y	95.9	Very high	90.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.7	177.9	175.2	-102.3	0	0	0	111	F367 F371 F382 H410 F420 C421 M425 W441 A442 W443 P479 L481	F367-Y408 HydrophobicContact CZ-CD1 4.17Å; F367-Y408 AromaticContact CZ-CE1 3.99Å; F367-Y408 HydrophobicContact CZ-CE1 3.99Å; F371-Y408 HydrophobicContact CE2-CE1 4.48Å; F382-Y408 HydrophobicContact CE1-CD1 4.44Å; Y408-H410 HydrophobicContact CD1-CB 4.49Å; Y408-H410 HydrophobicContact CE1-CB 3.73Å; Y408-H410 AromaticContact CE1-ND1 3.84Å; Y408-H410 AromaticContact CZ-ND1 3.86Å; Y408-H410 PolarHBondContact OH-ND1 3.05Å; Y408-F420 HydrophobicContact CD2-CE1 4.23Å; Y408-F420 AromaticContact CE2-CD1 3.87Å; Y408-F420 HydrophobicContact CE2-CD1 3.87Å; Y408-F420 AromaticContact CE2-CE1 3.76Å; Y408-F420 HydrophobicContact CE2-CE1 3.76Å; Y408-C421 PolarHBondContact OH-SG 2.8Å; Y408-M425 HydrophobicContact CD1-CE 4.34Å; Y408-M425 HydrophobicContact CD2-CE 3.78Å; Y408-M425 HydrophobicContact CD2-SD 4.16Å; Y408-M425 HydrophobicContact CE2-CE 4.27Å; Y408-M425 HydrophobicContact CE2-CG 4.22Å; Y408-M425 HydrophobicContact CE2-SD 4.4Å; Y408-M425 HydrophobicContact CG-CE 3.83Å; Y408-W441 PolarHBondContact N-O 2.82Å; Y408-A442 HydrophobicContact CD1-CB 4.23Å; Y408-A442 CarbonylContact O-C 3.54Å; Y408-A442 WeakPolarHBondContact O-CA 3.31Å; Y408-W443 PolarHBondContact O-N 2.8Å; Y408-P479 HydrophobicContact CD2-CB 4.39Å; Y408-P479 HydrophobicContact CE2-CB 3.48Å; Y408-P479 VanDerWaalsContact CE2-CB 3.48Å; Y408-P479 HydrophobicContact CE2-CG 3.81Å; Y408-L481 HydrophobicContact CD2-CD1 4.35Å
409	L	95.1	Very high	91.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.1	178.3	-54.1	-174.2	0	0	0	110.5	I407 W443 L454 I470 F478 P479 L480 L482	I407-L409 HydrophobicContact CG2-CD2 3.6Å; I407-L409 HydrophobicContact CG2-CG 4.19Å; L409-W443 CarbonylContact C-O 3.57Å; L409-W443 WeakPolarHBondContact CA-O 3.26Å; L409-W443 HydrophobicContact CD2-CB 4.02Å; L409-L454 HydrophobicContact CD1-CD2 3.72Å; L409-L454 HydrophobicContact CD2-CD1 4.08Å; L409-L454 HydrophobicContact CD2-CD2 3.46Å; L409-L454 VanDerWaalsContact CD2-CD2 3.46Å; L409-L454 HydrophobicContact CD2-CG 4.43Å; L409-L454 HydrophobicContact CG-CD2 4.22Å; L409-I470 HydrophobicContact CD1-CG2 4.16Å; L409-F478 HydrophobicContact CB-CD1 4.28Å; L409-F478 HydrophobicContact CB-CE1 3.98Å; L409-F478 HydrophobicContact CD1-CE1 4.46Å; L409-P479 WeakPolarHBondContact O-CA 3.4Å; L409-P479 WeakPolarHBondContact O-CB 3.27Å; L409-L480 HydrophobicContact CB-CB 4.22Å; L409-L480 HydrophobicContact CD1-CB 4.36Å; L409-L480 HydrophobicContact CD1-CD1 4.45Å; L409-L480 PolarHBondContact N-O 3.34Å; L409-L480 PolarHBondContact O-N 2.99Å; L409-L480 VanDerWaalsContact O-N 3.12Å; L409-L482 HydrophobicContact CD1-CD1 3.65Å; L409-L482 HydrophobicContact CG-CD1 3.87Å
410	H	94.1	Very high	91.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	144.7	177.4	-166.4	80.7	0	0	0	111.7	F367 Y408 W443 V445	F367-H410 HydrophobicContact CE2-CB 3.86Å; F367-H410 HydrophobicContact CZ-CB 4.27Å; Y408-H410 HydrophobicContact CD1-CB 4.49Å; Y408-H410 HydrophobicContact CE1-CB 3.73Å; Y408-H410 AromaticContact CE1-ND1 3.84Å; Y408-H410 AromaticContact CZ-ND1 3.86Å; Y408-H410 PolarHBondContact OH-ND1 3.05Å; H410-W443 PolarHBondContact N-O 2.93Å; H410-V445 VanDerWaalsContact O-CG2 3.29Å; H410-V445 WeakPolarHBondContact O-CG2 3.31Å; H410-V445 PolarHBondContact O-N 3.23Å
411	N	92.6	Very high	91.9	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.048	17%	0.169	C	C	.	.			trans	-146.7	114.2	166	-169.5	-25	0	0	0	109.4	D413 S414 S417 V445 T446 F478	N411-D413 VanDerWaalsContact C-N 3.26Å; N411-D413 PolarHBondContact O-N 2.83Å; N411-D413 WeakPolarHBondContact OD1-CB 3.33Å; N411-D413 PolarHBondContact OD1-N 3.18Å; N411-D413 VanDerWaalsContact OD1-N 3.1Å; N411-S414 WeakPolarHBondContact O-CB 3.46Å; N411-S414 PolarHBondContact O-N 2.69Å; N411-S414 VanDerWaalsContact O-N 3.09Å; N411-S417 WeakPolarHBondContact O-CB 3.24Å; N411-S417 PolarHBondContact O-OG 2.79Å; N411-V445 HydrophobicContact CB-CG2 4.16Å; N411-T446 WeakPolarHBondContact CA-OG1 3.35Å; N411-F478 HydrophobicContact CB-CB 3.77Å; N411-F478 HydrophobicContact CB-CD1 4.05Å; N411-F478 HydrophobicContact CB-CG 3.89Å
412	D	90.4	Very high	91.9	Very high	29 Å²	29	29.2 Å²	29.2	16%	0.155	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.2	-174.6	-150.3	-0.1	0	0	0	112.5	K349 R374 S414 N418 T446	K349-D412 VanDerWaalsContact CD-OD2 3.22Å; K349-D412 WeakPolarHBondContact CD-OD2 3.42Å; K349-D412 IonicContact NZ-OD1 3.79Å; K349-D412 PolarHBondContact NZ-OD1 2.85Å; K349-D412 IonicContact NZ-OD2 3.64Å; R374-D412 IonicContact CZ-OD2 3.99Å; R374-D412 VanDerWaalsContact CZ-OD2 3.27Å; R374-D412 IonicContact NH1-OD1 3.98Å; R374-D412 IonicContact NH1-OD2 3.93Å; R374-D412 PolarHBondContact NH1-OD2 2.78Å; R374-D412 IonicContact NH2-OD2 2.74Å; R374-D412 PolarHBondContact NH2-OD2 2.71Å; D412-S414 PolarHBondContact O-N 3.03Å; D412-N418 PolarHBondContact OD1-ND2 3.28Å; D412-T446 HydrophobicContact CB-CG2 4.25Å; D412-T446 PolarHBondContact N-OG1 3.35Å
413	D	89.8	Confident	91.8	Very high	115 Å²	115	33 Å²	33	62%	0.615	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.4	168.7	-64.8	-21.7	0	0	0	111.9	N411 T475	N411-D413 VanDerWaalsContact C-N 3.26Å; N411-D413 PolarHBondContact O-N 2.83Å; N411-D413 WeakPolarHBondContact OD1-CB 3.33Å; N411-D413 PolarHBondContact OD1-N 3.18Å; N411-D413 VanDerWaalsContact OD1-N 3.1Å; D413-T475 HydrophobicContact CB-CG2 3.62Å
414	S	91.9	Very high	91.7	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.021	17%	0.169	C	C	.	.			trans	-82.7	122	173.5	-178.3	0	0	0	0	111.5	N411 D412 L416 S417 T475 F478	N411-S414 WeakPolarHBondContact O-CB 3.46Å; N411-S414 PolarHBondContact O-N 2.69Å; N411-S414 VanDerWaalsContact O-N 3.09Å; D412-S414 PolarHBondContact O-N 3.03Å; S414-L416 PolarHBondContact O-N 2.69Å; S414-L416 PolarHBondContact OG-N 3.41Å; S414-L416 VanDerWaalsContact OG-N 3.14Å; S414-S417 PolarHBondContact O-N 2.99Å; S414-S417 VanDerWaalsContact O-N 3.15Å; S414-T475 VanDerWaalsContact CB-O 3.3Å; S414-T475 WeakPolarHBondContact CB-O 3.32Å; S414-T475 PolarHBondContact OG-O 3.43Å; S414-F478 WeakPolarHBondContact CB-O 3.24Å; S414-F478 PolarHBondContact OG-O 2.99Å
415	V	88.9	Confident	91.4	Very high	121 Å²	121	30.2 Å²	30.2	73%	0.733	17%	0.169	S	C	*	.	H	α-helix	trans	-55.4	-31.8	168.3	-67.7	0	0	0	0	112.5
416	L	90.9	Very high	91.1	Very high	48 Å²	48	31 Å²	31	25%	0.251	17%	0.174	S	C	.	.	H	α-helix	trans	-75.8	-26.2	-179.8	-60.5	-179.6	0	0	0	112.9	S414 N418 V419 F420 D476 F478 N500	S414-L416 PolarHBondContact O-N 2.69Å; S414-L416 PolarHBondContact OG-N 3.41Å; S414-L416 VanDerWaalsContact OG-N 3.14Å; L416-N418 VanDerWaalsContact C-N 3.3Å; L416-N418 PolarHBondContact O-N 3.24Å; L416-V419 PolarHBondContact O-N 3.5Å; L416-F420 VanDerWaalsContact O-CB 3.25Å; L416-F420 WeakPolarHBondContact O-CB 3.4Å; L416-F420 PolarHBondContact O-N 3.01Å; L416-D476 WeakPolarHBondContact CD1-O 3.4Å; L416-F478 WeakPolarHBondContact CB-O 3.1Å; L416-N500 HydrophobicContact CD1-CB 3.99Å
417	S	90.8	Very high	90.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-40.3	178.5	-65.4	0	0	0	0	112.9	N411 S414 V419 C421	N411-S417 WeakPolarHBondContact O-CB 3.24Å; N411-S417 PolarHBondContact O-OG 2.79Å; S414-S417 PolarHBondContact O-N 2.99Å; S414-S417 VanDerWaalsContact O-N 3.15Å; S417-V419 PolarHBondContact O-N 2.69Å; S417-C421 VanDerWaalsContact O-CB 3.3Å; S417-C421 WeakPolarHBondContact O-CB 3.24Å; S417-C421 PolarHBondContact O-N 3.13Å; S417-C421 PolarHBondContact O-SG 3.47Å
418	N	87.8	Confident	90.6	Very high	45 Å²	45	37.8 Å²	37.8	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-70.7	-33.5	-179.1	-69.3	-93	0	0	0	112	K349 Y375 D412 L416 S422	K349-N418 PolarHBondContact NZ-ND2 2.85Å; K349-N418 PolarHBondContact NZ-OD1 3.42Å; Y375-N418 PolarHBondContact OH-OD1 3.17Å; D412-N418 PolarHBondContact OD1-ND2 3.28Å; L416-N418 VanDerWaalsContact C-N 3.3Å; L416-N418 PolarHBondContact O-N 3.24Å; N418-S422 PolarHBondContact O-N 3.49Å; N418-S422 PolarHBondContact O-OG 3.3Å
419	V	89.1	Confident	90.4	Very high	65 Å²	65	40.9 Å²	40.9	39%	0.394	24%	0.236	S	C	.	.	H	α-helix	trans	-75.9	-46.6	175.6	-175.7	0	0	0	0	110.9	L416 S417 C421 S422 Q423	L416-V419 PolarHBondContact O-N 3.5Å; S417-V419 PolarHBondContact O-N 2.69Å; V419-C421 PolarHBondContact O-N 3.33Å; V419-S422 PolarHBondContact O-N 2.86Å; V419-S422 PolarHBondContact O-OG 3.39Å; V419-Q423 HydrophobicContact CG1-CG 4.16Å; V419-Q423 WeakPolarHBondContact O-CB 3.45Å; V419-Q423 WeakPolarHBondContact O-CG 3.32Å; V419-Q423 PolarHBondContact O-N 3.03Å
420	F	91.1	Very high	90.4	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-41	179.2	-172	-79.8	0	0	0	111.9	Y408 L416 M424 M425 P479 T501 L506	Y408-F420 HydrophobicContact CD2-CE1 4.23Å; Y408-F420 AromaticContact CE2-CD1 3.87Å; Y408-F420 HydrophobicContact CE2-CD1 3.87Å; Y408-F420 AromaticContact CE2-CE1 3.76Å; Y408-F420 HydrophobicContact CE2-CE1 3.76Å; L416-F420 VanDerWaalsContact O-CB 3.25Å; L416-F420 WeakPolarHBondContact O-CB 3.4Å; L416-F420 PolarHBondContact O-N 3.01Å; F420-M424 HydrophobicContact CB-CG 4.48Å; F420-M424 HydrophobicContact CD1-CB 4.16Å; F420-M424 HydrophobicContact CD1-CG 4.47Å; F420-M424 HydrophobicContact CD2-CB 4.2Å; F420-M424 HydrophobicContact CD2-CG 3.71Å; F420-M424 HydrophobicContact CE1-CB 4.19Å; F420-M424 HydrophobicContact CE2-CB 4.23Å; F420-M424 HydrophobicContact CE2-CG 4Å; F420-M424 HydrophobicContact CG-CB 4.16Å; F420-M424 HydrophobicContact CG-CG 3.97Å; F420-M424 HydrophobicContact CZ-CB 4.23Å; F420-M424 WeakPolarHBondContact O-CA 3.15Å; F420-M424 WeakPolarHBondContact O-CB 3.49Å; F420-M424 PolarHBondContact O-N 3.34Å; F420-M425 HydrophobicContact CD1-CG 3.76Å; F420-M425 HydrophobicContact CE1-CG 3.61Å; F420-M425 HydrophobicContact CE1-SD 3.83Å; F420-M425 PolarHBondContact O-N 2.96Å; F420-P479 HydrophobicContact CB-CG 3.63Å; F420-P479 HydrophobicContact CD1-CG 3.47Å; F420-P479 VanDerWaalsContact CD1-CG 3.47Å; F420-P479 HydrophobicContact CD2-CG 4.1Å; F420-P479 HydrophobicContact CE1-CG 4.11Å; F420-P479 HydrophobicContact CG-CG 3.46Å; F420-P479 VanDerWaalsContact CG-CG 3.46Å; F420-T501 HydrophobicContact CE2-CG2 4.02Å; F420-L506 HydrophobicContact CZ-CD2 4.25Å
421	C	90.3	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-56.1	-56.2	172.2	-77	0	0	0	0	111.1	F371 Y375 Y408 S417 V419 M425 C426	F371-C421 HydrophobicContact CE2-CB 4.29Å; F371-C421 WeakPolarHBondContact CE2-SG 3.34Å; F371-C421 HydrophobicContact CZ-CB 4.03Å; Y375-C421 HydrophobicContact CD1-CB 3.6Å; Y375-C421 HydrophobicContact CD2-CB 3.86Å; Y375-C421 HydrophobicContact CE1-CB 3.53Å; Y375-C421 HydrophobicContact CE2-CB 3.79Å; Y375-C421 HydrophobicContact CG-CB 3.78Å; Y408-C421 PolarHBondContact OH-SG 2.8Å; S417-C421 VanDerWaalsContact O-CB 3.3Å; S417-C421 WeakPolarHBondContact O-CB 3.24Å; S417-C421 PolarHBondContact O-N 3.13Å; S417-C421 PolarHBondContact O-SG 3.47Å; V419-C421 PolarHBondContact O-N 3.33Å; C421-M425 PolarHBondContact O-N 2.84Å; C421-C426 PolarHBondContact O-N 2.91Å; C421-C426 PolarHBondContact O-SG 3.45Å
422	S	87.6	Confident	90.4	Very high	64 Å²	64	44.2 Å²	44.2	45%	0.448	26%	0.258	S	S	.	.	I	π-helix	trans	-74.8	-28	-172	53.7	0	0	0	0	115	N418 V419	N418-S422 PolarHBondContact O-N 3.49Å; N418-S422 PolarHBondContact O-OG 3.3Å; V419-S422 PolarHBondContact O-N 2.86Å; V419-S422 PolarHBondContact O-OG 3.39Å
423	Q	86.8	Confident	90.5	Very high	116 Å²	116	45.1 Å²	45.1	54%	0.542	26%	0.26	S	S	.	.	I	π-helix	trans	-104	-27.7	-177.4	-61.1	-173.7	0.5	0	0	114.4	V419	V419-Q423 HydrophobicContact CG1-CG 4.16Å; V419-Q423 WeakPolarHBondContact O-CB 3.45Å; V419-Q423 WeakPolarHBondContact O-CG 3.32Å; V419-Q423 PolarHBondContact O-N 3.03Å
424	M	89.1	Confident	90.8	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.059	23%	0.231	C	C	.	.	I	π-helix	trans	-106.2	-59.7	-177.4	-49.1	-66	146	0	0	110.8	F420 C426 A427 I430 V503 L506	F420-M424 HydrophobicContact CB-CG 4.48Å; F420-M424 HydrophobicContact CD1-CB 4.16Å; F420-M424 HydrophobicContact CD1-CG 4.47Å; F420-M424 HydrophobicContact CD2-CB 4.2Å; F420-M424 HydrophobicContact CD2-CG 3.71Å; F420-M424 HydrophobicContact CE1-CB 4.19Å; F420-M424 HydrophobicContact CE2-CB 4.23Å; F420-M424 HydrophobicContact CE2-CG 4Å; F420-M424 HydrophobicContact CG-CB 4.16Å; F420-M424 HydrophobicContact CG-CG 3.97Å; F420-M424 HydrophobicContact CZ-CB 4.23Å; F420-M424 WeakPolarHBondContact O-CA 3.15Å; F420-M424 WeakPolarHBondContact O-CB 3.49Å; F420-M424 PolarHBondContact O-N 3.34Å; M424-C426 VanDerWaalsContact C-N 3.31Å; M424-C426 PolarHBondContact O-N 2.9Å; M424-A427 PolarHBondContact O-N 2.99Å; M424-I430 WeakPolarHBondContact O-CB 3.26Å; M424-I430 WeakPolarHBondContact O-CG2 3.47Å; M424-V503 HydrophobicContact CE-CG2 3.73Å; M424-V503 HydrophobicContact SD-CB 4.1Å; M424-V503 HydrophobicContact SD-CG2 3.5Å; M424-V503 WeakPolarHBondContact SD-CG2 3.37Å; M424-V503 PolarHBondContact SD-N 2.55Å; M424-V503 VanDerWaalsContact SD-N 3.41Å; M424-L506 HydrophobicContact CB-CD2 3.74Å; M424-L506 HydrophobicContact CG-CD2 4.35Å; M424-L506 HydrophobicContact SD-CD2 4.43Å
425	M	88.7	Confident	90.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-71.5	-25.3	-174.4	-62.3	-70	-80.3	0	0	112.9	F371 P380 F382 Y408 F420 C421 V431 L434	F371-M425 HydrophobicContact CZ-CB 4.03Å; P380-M425 WeakPolarHBondContact CD-O 3.18Å; P380-M425 HydrophobicContact CG-CE 3.85Å; P380-M425 HydrophobicContact CG-SD 4.43Å; F382-M425 HydrophobicContact CE1-CE 3.88Å; F382-M425 HydrophobicContact CZ-CE 3.92Å; Y408-M425 HydrophobicContact CD1-CE 4.34Å; Y408-M425 HydrophobicContact CD2-CE 3.78Å; Y408-M425 HydrophobicContact CD2-SD 4.16Å; Y408-M425 HydrophobicContact CE2-CE 4.27Å; Y408-M425 HydrophobicContact CE2-CG 4.22Å; Y408-M425 HydrophobicContact CE2-SD 4.4Å; Y408-M425 HydrophobicContact CG-CE 3.83Å; F420-M425 HydrophobicContact CD1-CG 3.76Å; F420-M425 HydrophobicContact CE1-CG 3.61Å; F420-M425 HydrophobicContact CE1-SD 3.83Å; F420-M425 PolarHBondContact O-N 2.96Å; C421-M425 PolarHBondContact O-N 2.84Å; M425-V431 WeakPolarHBondContact O-CG2 3.46Å; M425-L434 HydrophobicContact SD-CD1 4.38Å
426	C	89.1	Confident	90.8	Very high	18 Å²	18	41.6 Å²	41.6	12%	0.122	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.7	176.2	-59.2	0	0	0	0	114.2	T378 C421 M424	T378-C426 VanDerWaalsContact O-CA 3.3Å; T378-C426 WeakPolarHBondContact O-CA 3.2Å; T378-C426 WeakPolarHBondContact O-CB 3.39Å; T378-C426 PolarHBondContact O-SG 3.16Å; T378-C426 VanDerWaalsContact O-SG 3.41Å; C421-C426 PolarHBondContact O-N 2.91Å; C421-C426 PolarHBondContact O-SG 3.45Å; M424-C426 VanDerWaalsContact C-N 3.31Å; M424-C426 PolarHBondContact O-N 2.9Å
427	A	91.6	Very high	90.8	Very high	24 Å²	24	41 Å²	41	20%	0.198	23%	0.234	C	C	.	.			trans	-78.8	123	178.1	0	0	0	0	0	110.8	M424 S429 I430 V431	M424-A427 PolarHBondContact O-N 2.99Å; A427-S429 PolarHBondContact O-N 2.88Å; A427-I430 HydrophobicContact CB-CB 4.36Å; A427-I430 HydrophobicContact CB-CG1 4.18Å; A427-I430 WeakPolarHBondContact O-CA 3.27Å; A427-I430 PolarHBondContact O-N 3.33Å; A427-V431 WeakPolarHBondContact O-CG2 3.44Å; A427-V431 PolarHBondContact O-N 2.81Å
428	D	91.4	Very high	91	Very high	121 Å²	121	41.3 Å²	41.3	65%	0.647	24%	0.235	S	C	*	.	H	α-helix	trans	-49.3	-38.6	-175.2	-66.9	-44.1	0	0	0	114	S432	D428-S432 WeakPolarHBondContact O-CB 3.3Å; D428-S432 PolarHBondContact O-N 2.86Å
429	S	92.4	Very high	91.4	Very high	65 Å²	65	40 Å²	40	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-65.7	-42.1	177.7	52.3	0	0	0	0	112.8	A427 Y433	A427-S429 PolarHBondContact O-N 2.88Å; S429-Y433 VanDerWaalsContact O-CB 3.24Å; S429-Y433 WeakPolarHBondContact O-CB 3.44Å; S429-Y433 PolarHBondContact O-N 2.83Å
430	I	93.8	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-72	-44.9	177.1	-61.3	-71.1	0	0	0	110.1	M424 A427 S432 Y433 L434 V503 L506 M507 L510	M424-I430 WeakPolarHBondContact O-CB 3.26Å; M424-I430 WeakPolarHBondContact O-CG2 3.47Å; A427-I430 HydrophobicContact CB-CB 4.36Å; A427-I430 HydrophobicContact CB-CG1 4.18Å; A427-I430 WeakPolarHBondContact O-CA 3.27Å; A427-I430 PolarHBondContact O-N 3.33Å; I430-S432 PolarHBondContact O-N 2.83Å; I430-Y433 PolarHBondContact O-N 3.21Å; I430-L434 HydrophobicContact CG2-CD1 3.74Å; I430-L434 HydrophobicContact CG2-CG 4.26Å; I430-L434 WeakPolarHBondContact O-CB 3.47Å; I430-L434 WeakPolarHBondContact O-CG 3.22Å; I430-L434 PolarHBondContact O-N 3.39Å; I430-V503 HydrophobicContact CD1-CG1 4.38Å; I430-V503 HydrophobicContact CG1-CG1 4.25Å; I430-L506 HydrophobicContact CD1-CD2 3.92Å; I430-L506 HydrophobicContact CD1-CG 4.02Å; I430-L506 HydrophobicContact CG1-CD2 4.4Å; I430-L506 HydrophobicContact CG2-CD2 4.2Å; I430-M507 HydrophobicContact CD1-CB 4.3Å; I430-M507 HydrophobicContact CD1-CE 3.85Å; I430-L510 HydrophobicContact CD1-CD1 4.29Å
431	V	93.4	Very high	92	Very high	24 Å²	24	36.9 Å²	36.9	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-56.6	-48.1	175	172.5	0	0	0	0	111	H379 P380 M425 A427 S435	H379-V431 WeakPolarHBondContact O-CG1 3.44Å; P380-V431 HydrophobicContact CG-CG2 4.38Å; M425-V431 WeakPolarHBondContact O-CG2 3.46Å; A427-V431 WeakPolarHBondContact O-CG2 3.44Å; A427-V431 PolarHBondContact O-N 2.81Å; V431-S435 VanDerWaalsContact O-CB 3.3Å; V431-S435 WeakPolarHBondContact O-CB 3.18Å; V431-S435 PolarHBondContact O-N 3.48Å; V431-S435 PolarHBondContact O-OG 3.01Å
432	S	92.8	Very high	92.2	Very high	55 Å²	55	36.9 Å²	36.9	39%	0.385	21%	0.209	S	C	.	.	H	α-helix	trans	-69.4	-34.2	179.1	-173.2	0	0	0	0	112.6	D428 I430 S435 Q436	D428-S432 WeakPolarHBondContact O-CB 3.3Å; D428-S432 PolarHBondContact O-N 2.86Å; I430-S432 PolarHBondContact O-N 2.83Å; S432-S435 PolarHBondContact O-OG 3.18Å; S432-Q436 WeakPolarHBondContact O-CB 3.39Å; S432-Q436 VanDerWaalsContact O-CD 3.26Å; S432-Q436 WeakPolarHBondContact O-CG 3.12Å; S432-Q436 PolarHBondContact O-N 3.2Å; S432-Q436 PolarHBondContact O-NE2 2.61Å; S432-Q436 PolarHBondContact OG-NE2 2.86Å
433	Y	94.3	Very high	92.6	Very high	48 Å²	48	33.9 Å²	33.9	19%	0.188	19%	0.188	C	C	.	.	H	α-helix	trans	-75.1	-43	179.6	-166.3	-99.2	0	0	0	112.1	S429 I430 N437 F438 M507 L510 M511 M514	S429-Y433 VanDerWaalsContact O-CB 3.24Å; S429-Y433 WeakPolarHBondContact O-CB 3.44Å; S429-Y433 PolarHBondContact O-N 2.83Å; I430-Y433 PolarHBondContact O-N 3.21Å; Y433-N437 PolarHBondContact O-N 2.88Å; Y433-N437 VanDerWaalsContact O-N 3.13Å; Y433-N437 PolarHBondContact O-ND2 3.01Å; Y433-F438 HydrophobicContact CD1-CE2 4.04Å; Y433-F438 AromaticContact CE1-CE2 3.75Å; Y433-F438 HydrophobicContact CE1-CE2 3.75Å; Y433-M507 HydrophobicContact CD1-SD 4.23Å; Y433-M507 HydrophobicContact CD2-SD 4.43Å; Y433-M507 HydrophobicContact CG-SD 4.11Å; Y433-L510 HydrophobicContact CD1-CB 4.07Å; Y433-L510 HydrophobicContact CD1-CD1 4.49Å; Y433-L510 HydrophobicContact CE1-CB 3.85Å; Y433-M511 HydrophobicContact CE1-CG 4.42Å; Y433-M511 HydrophobicContact CE2-CG 4.42Å; Y433-M514 WeakPolarHBondContact OH-CB 3.26Å
434	L	94.3	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-54	174.9	-74.2	173.5	0	0	0	111.2	P380 A406 M425 I430 Q436 N437 F438 L510	P380-L434 HydrophobicContact CB-CB 4.42Å; P380-L434 HydrophobicContact CB-CD1 4.24Å; P380-L434 HydrophobicContact CG-CD1 3.85Å; A406-L434 HydrophobicContact CB-CD2 4.24Å; M425-L434 HydrophobicContact SD-CD1 4.38Å; I430-L434 HydrophobicContact CG2-CD1 3.74Å; I430-L434 HydrophobicContact CG2-CG 4.26Å; I430-L434 WeakPolarHBondContact O-CB 3.47Å; I430-L434 WeakPolarHBondContact O-CG 3.22Å; I430-L434 PolarHBondContact O-N 3.39Å; L434-Q436 PolarHBondContact O-N 2.66Å; L434-Q436 VanDerWaalsContact O-N 3.17Å; L434-N437 PolarHBondContact O-N 2.81Å; L434-F438 HydrophobicContact CD2-CB 4.26Å; L434-F438 HydrophobicContact CD2-CD2 4.03Å; L434-F438 HydrophobicContact CD2-CG 4.07Å; L434-F438 WeakPolarHBondContact O-CA 3.41Å; L434-F438 WeakPolarHBondContact O-CB 3.43Å; L434-F438 PolarHBondContact O-N 2.91Å; L434-L510 HydrophobicContact CD2-CD1 4.19Å; L434-L510 HydrophobicContact CD2-CD2 3.72Å; L434-L510 HydrophobicContact CG-CD1 4.49Å
435	S	91.5	Very high	93	Very high	48 Å²	48	28 Å²	28	34%	0.336	16%	0.161	S	C	.	.	H	α-helix	trans	-63.5	-24.3	-175.4	57	0	0	0	0	114.4	V431 S432	V431-S435 VanDerWaalsContact O-CB 3.3Å; V431-S435 WeakPolarHBondContact O-CB 3.18Å; V431-S435 PolarHBondContact O-N 3.48Å; V431-S435 PolarHBondContact O-OG 3.01Å; S432-S435 PolarHBondContact O-OG 3.18Å
436	Q	90.3	Very high	93.1	Very high	117 Å²	117	29.8 Å²	29.8	55%	0.547	17%	0.172	S	C	.	.	H	α-helix	trans	-82.1	-51.1	174.5	-69.7	172.1	22.2	0	0	112.3	K403 S432 L434	K403-Q436 PolarHBondContact NZ-O 3.02Å; S432-Q436 WeakPolarHBondContact O-CB 3.39Å; S432-Q436 VanDerWaalsContact O-CD 3.26Å; S432-Q436 WeakPolarHBondContact O-CG 3.12Å; S432-Q436 PolarHBondContact O-N 3.2Å; S432-Q436 PolarHBondContact O-NE2 2.61Å; S432-Q436 PolarHBondContact OG-NE2 2.86Å; L434-Q436 PolarHBondContact O-N 2.66Å; L434-Q436 VanDerWaalsContact O-N 3.17Å
437	N	91.6	Very high	93.1	Very high	37 Å²	37	31 Å²	31	20%	0.198	18%	0.175	C	C	.	.	H	α-helix	trans	-99.5	-17.8	-165.7	-55.8	-77.1	0	0	0	114.5	Y433 L434 M514	Y433-N437 PolarHBondContact O-N 2.88Å; Y433-N437 VanDerWaalsContact O-N 3.13Å; Y433-N437 PolarHBondContact O-ND2 3.01Å; L434-N437 PolarHBondContact O-N 2.81Å; N437-M514 HydrophobicContact CB-CE 4.09Å; N437-M514 HydrophobicContact CB-SD 4.06Å
438	F	95.3	Very high	93	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.022	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.5	-173.2	-62.8	-104.5	0	0	0	111.9	L404 A406 Y433 L434 I483 L510	L404-F438 HydrophobicContact CB-CD1 3.42Å; L404-F438 VanDerWaalsContact CB-CD1 3.42Å; L404-F438 HydrophobicContact CB-CE1 3.48Å; L404-F438 VanDerWaalsContact CB-CE1 3.48Å; L404-F438 HydrophobicContact CB-CG 4.28Å; L404-F438 HydrophobicContact CB-CZ 4.34Å; L404-F438 HydrophobicContact CD1-CD1 4.34Å; L404-F438 HydrophobicContact CD1-CE1 3.52Å; L404-F438 HydrophobicContact CD1-CZ 3.78Å; L404-F438 HydrophobicContact CG-CE1 4.16Å; L404-F438 CarbonylContact O-C 3.57Å; L404-F438 VanDerWaalsContact O-CA 3.26Å; L404-F438 WeakPolarHBondContact O-CA 3.4Å; A406-F438 HydrophobicContact CB-CB 4.07Å; A406-F438 HydrophobicContact CB-CD1 3.91Å; A406-F438 HydrophobicContact CB-CG 4.28Å; Y433-F438 HydrophobicContact CD1-CE2 4.04Å; Y433-F438 AromaticContact CE1-CE2 3.75Å; Y433-F438 HydrophobicContact CE1-CE2 3.75Å; L434-F438 HydrophobicContact CD2-CB 4.26Å; L434-F438 HydrophobicContact CD2-CD2 4.03Å; L434-F438 HydrophobicContact CD2-CG 4.07Å; L434-F438 WeakPolarHBondContact O-CA 3.41Å; L434-F438 WeakPolarHBondContact O-CB 3.43Å; L434-F438 PolarHBondContact O-N 2.91Å; F438-I483 HydrophobicContact CE1-CD1 4.46Å; F438-I483 HydrophobicContact CE1-CG1 4.41Å; F438-I483 HydrophobicContact CE1-CG2 3.86Å; F438-L510 HydrophobicContact CE1-CD2 3.95Å; F438-L510 HydrophobicContact CE2-CD2 3.95Å; F438-L510 HydrophobicContact CZ-CB 4.37Å; F438-L510 HydrophobicContact CZ-CD2 3.63Å
439	I	95.6	Very high	92.9	Very high	19 Å²	19	32.4 Å²	32.4	10%	0.097	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	114.1	156.4	-56	-55.2	0	0	0	106.4	Y383 A390 A394 K403 L404 L405 A406	Y383-I439 HydrophobicContact CD2-CG2 3.85Å; Y383-I439 HydrophobicContact CG-CG2 4Å; A390-I439 HydrophobicContact CB-CG2 4.33Å; A394-I439 HydrophobicContact CB-CB 4.22Å; A394-I439 HydrophobicContact CB-CG1 3.85Å; K403-I439 HydrophobicContact CB-CG1 4.44Å; K403-I439 HydrophobicContact CD-CD1 4.17Å; L404-I439 PolarHBondContact O-N 3.44Å; L405-I439 WeakPolarHBondContact CA-O 3.27Å; L405-I439 HydrophobicContact CD1-CB 4.03Å; L405-I439 HydrophobicContact CD1-CG2 3.94Å; A406-I439 PolarHBondContact N-O 3.2Å
440	T	96.3	Very high	92.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.2	180	-53.8	0	0	0	0	109.4	P380 F382 Y383 A406	P380-T440 HydrophobicContact CB-CG2 4.25Å; F382-T440 CarbonylContact C-O 3.5Å; F382-T440 WeakPolarHBondContact CA-O 3.08Å; F382-T440 HydrophobicContact CD1-CG2 3.86Å; F382-T440 HydrophobicContact CE1-CG2 3.96Å; Y383-T440 WeakPolarHBondContact CB-O 3.38Å; Y383-T440 PolarHBondContact N-O 3.45Å; A406-T440 CarbonylContact O-C 3.6Å; A406-T440 WeakPolarHBondContact O-CA 3.03Å
441	W	96.3	Very high	92.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.1	179.5	-173.2	87	0	0	0	109.5	L364 G385 L387 A390 L405 A406 I407 Y408 W443 L454 M457	L364-W441 HydrophobicContact CD1-CZ2 4.42Å; G385-W441 PolarHBondContact O-NE1 2.96Å; L387-W441 HydrophobicContact CB-CD2 4.5Å; L387-W441 HydrophobicContact CB-CH2 3.91Å; L387-W441 HydrophobicContact CB-CZ2 3.76Å; L387-W441 HydrophobicContact CB-CZ3 4.34Å; L387-W441 HydrophobicContact CD1-CD2 3.97Å; L387-W441 HydrophobicContact CD1-CE3 3.81Å; L387-W441 HydrophobicContact CD1-CH2 4.49Å; L387-W441 HydrophobicContact CD1-CZ3 4.07Å; L387-W441 HydrophobicContact CD2-CH2 4.46Å; L387-W441 HydrophobicContact CD2-CZ3 4.34Å; L387-W441 HydrophobicContact CG-CZ3 4.48Å; A390-W441 HydrophobicContact CB-CB 4.33Å; A390-W441 HydrophobicContact CB-CG 4.2Å; L405-W441 HydrophobicContact CD1-CB 4.38Å; A406-W441 PolarHBondContact O-N 2.72Å; I407-W441 CarbonylContact C-O 3.57Å; I407-W441 WeakPolarHBondContact CA-O 3.29Å; I407-W441 HydrophobicContact CG2-CE3 4.12Å; I407-W441 HydrophobicContact CG2-CZ3 4.38Å; Y408-W441 PolarHBondContact N-O 2.82Å; W441-W443 HydrophobicContact CE3-CB 4.48Å; W441-W443 HydrophobicContact CH2-CB 4.02Å; W441-W443 AromaticContact CH2-CD2 3.81Å; W441-W443 HydrophobicContact CH2-CD2 3.81Å; W441-W443 AromaticContact CH2-CE3 3.41Å; W441-W443 HydrophobicContact CH2-CE3 3.41Å; W441-W443 VanDerWaalsContact CH2-CE3 3.41Å; W441-W443 HydrophobicContact CH2-CG 4.09Å; W441-W443 HydrophobicContact CH2-CZ3 4.2Å; W441-W443 HydrophobicContact CZ2-CD2 4.48Å; W441-W443 AromaticContact CZ2-CE3 3.63Å; W441-W443 HydrophobicContact CZ2-CE3 3.63Å; W441-W443 HydrophobicContact CZ2-CZ3 4.1Å; W441-W443 HydrophobicContact CZ3-CB 3.72Å; W441-W443 HydrophobicContact CZ3-CD2 4.44Å; W441-W443 HydrophobicContact CZ3-CE3 4.29Å; W441-W443 HydrophobicContact CZ3-CG 4.26Å; W441-L454 HydrophobicContact CH2-CD1 4.42Å; W441-L454 HydrophobicContact CZ3-CD1 4.08Å; W441-M457 HydrophobicContact CH2-SD 4.47Å
442	A	94.8	Very high	92.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.1	-173.8	0	0	0	0	0	112.4	L364 F367 F382 Y408	L364-A442 HydrophobicContact CD2-CB 4.33Å; L364-A442 WeakPolarHBondContact CD2-O 3.22Å; F367-A442 HydrophobicContact CD1-CB 3.69Å; F367-A442 HydrophobicContact CE1-CB 3.37Å; F367-A442 HydrophobicContact CE2-CB 4.43Å; F367-A442 HydrophobicContact CG-CB 4.37Å; F367-A442 HydrophobicContact CZ-CB 3.8Å; F382-A442 HydrophobicContact CD1-CB 3.67Å; F382-A442 HydrophobicContact CE1-CB 3.9Å; F382-A442 HydrophobicContact CG-CB 4.42Å; Y408-A442 HydrophobicContact CD1-CB 4.23Å; Y408-A442 CarbonylContact O-C 3.54Å; Y408-A442 WeakPolarHBondContact O-CA 3.31Å
443	W	94.6	Very high	92.4	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.4	167.5	-159.9	-102.2	0	0	0	111.8	M353 E360 Y408 L409 H410 W441 N450 L454 M457	M353-W443 HydrophobicContact CE-CD2 3.64Å; M353-W443 HydrophobicContact CE-CE3 3.65Å; M353-W443 HydrophobicContact CE-CG 4.03Å; M353-W443 HydrophobicContact CE-CH2 4.41Å; M353-W443 HydrophobicContact CE-CZ2 4.42Å; M353-W443 HydrophobicContact CE-CZ3 4.05Å; M353-W443 HydrophobicContact SD-CE3 4.45Å; M353-W443 HydrophobicContact SD-CZ3 4.37Å; E360-W443 HydrophobicContact CB-CZ3 4.3Å; E360-W443 HydrophobicContact CG-CH2 4.05Å; E360-W443 HydrophobicContact CG-CZ3 4.06Å; Y408-W443 PolarHBondContact O-N 2.8Å; L409-W443 CarbonylContact C-O 3.57Å; L409-W443 WeakPolarHBondContact CA-O 3.26Å; L409-W443 HydrophobicContact CD2-CB 4.02Å; H410-W443 PolarHBondContact N-O 2.93Å; W441-W443 HydrophobicContact CE3-CB 4.48Å; W441-W443 HydrophobicContact CH2-CB 4.02Å; W441-W443 AromaticContact CH2-CD2 3.81Å; W441-W443 HydrophobicContact CH2-CD2 3.81Å; W441-W443 AromaticContact CH2-CE3 3.41Å; W441-W443 HydrophobicContact CH2-CE3 3.41Å; W441-W443 VanDerWaalsContact CH2-CE3 3.41Å; W441-W443 HydrophobicContact CH2-CG 4.09Å; W441-W443 HydrophobicContact CH2-CZ3 4.2Å; W441-W443 HydrophobicContact CZ2-CD2 4.48Å; W441-W443 AromaticContact CZ2-CE3 3.63Å; W441-W443 HydrophobicContact CZ2-CE3 3.63Å; W441-W443 HydrophobicContact CZ2-CZ3 4.1Å; W441-W443 HydrophobicContact CZ3-CB 3.72Å; W441-W443 HydrophobicContact CZ3-CD2 4.44Å; W441-W443 HydrophobicContact CZ3-CE3 4.29Å; W441-W443 HydrophobicContact CZ3-CG 4.26Å; W443-N450 HydrophobicContact CZ2-CB 4.48Å; W443-N450 PolarHBondContact NE1-O 2.65Å; W443-L454 HydrophobicContact CB-CD1 4.31Å; W443-L454 HydrophobicContact CG-CD1 4.19Å; W443-M457 HydrophobicContact CH2-CE 4.42Å; W443-M457 HydrophobicContact CZ2-CE 4.48Å
444	D	93.6	Very high	92.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.3	179.7	174.7	19.1	0	0	0	109	M352 M353 F367 T446 N450	M352-D444 HydrophobicContact CB-CB 4.21Å; M353-D444 HydrophobicContact CB-CB 4.21Å; M353-D444 HydrophobicContact CE-CB 3.58Å; M353-D444 HydrophobicContact CG-CB 4.19Å; M353-D444 PolarHBondContact N-OD2 2.84Å; F367-D444 HydrophobicContact CD2-CB 4.34Å; D444-T446 WeakPolarHBondContact OD1-CB 3.35Å; D444-T446 PolarHBondContact OD1-N 3.16Å; D444-T446 PolarHBondContact OD1-OG1 3.18Å; D444-N450 WeakPolarHBondContact O-CB 3.19Å
445	V	92.4	Very high	92.2	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.024	18%	0.176	C	C	.	.			trans	-103.8	11.4	178.6	-58.6	0	0	0	0	113.1	H410 N411 K447 K451 L454 F478	H410-V445 VanDerWaalsContact O-CG2 3.29Å; H410-V445 WeakPolarHBondContact O-CG2 3.31Å; H410-V445 PolarHBondContact O-N 3.23Å; N411-V445 HydrophobicContact CB-CG2 4.16Å; V445-K447 PolarHBondContact O-N 2.74Å; V445-K451 HydrophobicContact CB-CB 3.94Å; V445-K451 HydrophobicContact CB-CD 4.44Å; V445-K451 HydrophobicContact CB-CG 4.16Å; V445-K451 HydrophobicContact CG1-CB 4.27Å; V445-K451 HydrophobicContact CG1-CG 4.46Å; V445-L454 HydrophobicContact CG1-CD2 3.5Å; V445-L454 VanDerWaalsContact CG1-CD2 3.5Å; V445-F478 HydrophobicContact CG2-CD1 3.87Å; V445-F478 HydrophobicContact CG2-CE1 3.43Å; V445-F478 VanDerWaalsContact CG2-CE1 3.43Å; V445-F478 HydrophobicContact CG2-CZ 4.02Å
446	T	90.3	Very high	92.2	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.221	19%	0.19	C	C	.	.	S	Bend	trans	-55.8	-32.8	174.4	-46	0	0	0	0	111.2	N411 D412 D444	N411-T446 WeakPolarHBondContact CA-OG1 3.35Å; D412-T446 HydrophobicContact CB-CG2 4.25Å; D412-T446 PolarHBondContact N-OG1 3.35Å; D444-T446 WeakPolarHBondContact OD1-CB 3.35Å; D444-T446 PolarHBondContact OD1-N 3.16Å; D444-T446 PolarHBondContact OD1-OG1 3.18Å
447	K	89.8	Confident	92.3	Very high	43 Å²	43	30.3 Å²	30.3	19%	0.187	17%	0.168	C	C	.	.	S	Bend	trans	-103.8	127.7	179.1	-56	-173.5	-174.5	178.6	0	110.7	E355 V445 A449 N450 K451	E355-K447 HydrophobicContact CG-CD 3.46Å; E355-K447 VanDerWaalsContact CG-CD 3.46Å; E355-K447 WeakPolarHBondContact OE1-CD 3.42Å; E355-K447 WeakPolarHBondContact OE1-CE 3.48Å; E355-K447 IonicContact OE1-NZ 3.2Å; E355-K447 PolarHBondContact OE1-NZ 3.41Å; V445-K447 PolarHBondContact O-N 2.74Å; K447-A449 PolarHBondContact O-N 3.24Å; K447-A449 VanDerWaalsContact O-N 3.09Å; K447-N450 PolarHBondContact O-N 2.93Å; K447-K451 PolarHBondContact O-N 3.2Å
448	E	88.8	Confident	92.2	Very high	117 Å²	117	28.7 Å²	28.7	55%	0.547	16%	0.159	S	C	.	.	H	α-helix	trans	-59.7	-27.4	-174.2	-164	66.1	-148.3	0	0	112.9	K451 A452	E448-K451 VanDerWaalsContact CD-NZ 3.27Å; E448-K451 PolarHBondContact O-N 2.86Å; E448-K451 WeakPolarHBondContact OE1-CE 3.15Å; E448-K451 IonicContact OE1-NZ 3.22Å; E448-K451 PolarHBondContact OE1-NZ 3.32Å; E448-K451 WeakPolarHBondContact OE2-CD 3.38Å; E448-K451 IonicContact OE2-NZ 2.69Å; E448-K451 PolarHBondContact OE2-NZ 3.18Å; E448-A452 VanDerWaalsContact O-CB 3.28Å; E448-A452 WeakPolarHBondContact O-CB 3.32Å; E448-A452 PolarHBondContact O-N 3.34Å
449	A	89.6	Confident	92	Very high	59 Å²	59	31.7 Å²	31.7	49%	0.488	18%	0.178	S	C	.	.	H	α-helix	trans	-63.6	-47.2	172.2	0	0	0	0	0	112.6	K447 K451 A452 R453	K447-A449 PolarHBondContact O-N 3.24Å; K447-A449 VanDerWaalsContact O-N 3.09Å; A449-K451 VanDerWaalsContact C-N 3.33Å; A449-A452 PolarHBondContact O-N 3.25Å; A449-R453 WeakPolarHBondContact O-CG 3.37Å; A449-R453 PolarHBondContact O-N 3.3Å
450	N	89.5	Confident	91.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-69.2	-34.8	177.7	-69.4	-8.7	0	0	0	111.1	P354 W443 D444 K447 R453 L454	P354-N450 PolarHBondContact O-ND2 3.21Å; W443-N450 HydrophobicContact CZ2-CB 4.48Å; W443-N450 PolarHBondContact NE1-O 2.65Å; D444-N450 WeakPolarHBondContact O-CB 3.19Å; K447-N450 PolarHBondContact O-N 2.93Å; N450-R453 PolarHBondContact O-N 3.19Å; N450-L454 PolarHBondContact O-N 2.69Å
451	K	90.4	Very high	91.2	Very high	60 Å²	60	38.7 Å²	38.7	26%	0.261	20%	0.204	S	C	.	.	H	α-helix	trans	-64.4	-43.7	171.4	-176.2	174	151.4	-150.4	0	112.5	V445 K447 E448 A449 L454 L455	V445-K451 HydrophobicContact CB-CB 3.94Å; V445-K451 HydrophobicContact CB-CD 4.44Å; V445-K451 HydrophobicContact CB-CG 4.16Å; V445-K451 HydrophobicContact CG1-CB 4.27Å; V445-K451 HydrophobicContact CG1-CG 4.46Å; K447-K451 PolarHBondContact O-N 3.2Å; E448-K451 VanDerWaalsContact CD-NZ 3.27Å; E448-K451 PolarHBondContact O-N 2.86Å; E448-K451 WeakPolarHBondContact OE1-CE 3.15Å; E448-K451 IonicContact OE1-NZ 3.22Å; E448-K451 PolarHBondContact OE1-NZ 3.32Å; E448-K451 WeakPolarHBondContact OE2-CD 3.38Å; E448-K451 IonicContact OE2-NZ 2.69Å; E448-K451 PolarHBondContact OE2-NZ 3.18Å; A449-K451 VanDerWaalsContact C-N 3.33Å; K451-L454 WeakPolarHBondContact O-CB 3.43Å; K451-L454 PolarHBondContact O-N 3Å; K451-L455 WeakPolarHBondContact O-CG 3.5Å; K451-L455 PolarHBondContact O-N 3.19Å
452	A	91.1	Very high	90.8	Very high	48 Å²	48	39.6 Å²	39.6	40%	0.397	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-44.3	175.3	0	0	0	0	0	111.6	E448 A449 L454 L455 T456	E448-A452 VanDerWaalsContact O-CB 3.28Å; E448-A452 WeakPolarHBondContact O-CB 3.32Å; E448-A452 PolarHBondContact O-N 3.34Å; A449-A452 PolarHBondContact O-N 3.25Å; A452-L454 PolarHBondContact O-N 3.4Å; A452-L455 PolarHBondContact O-N 3.39Å; A452-T456 PolarHBondContact O-N 3Å; A452-T456 PolarHBondContact O-OG1 3.44Å
453	R	90.6	Very high	90.4	Very high	65 Å²	65	41 Å²	41	25%	0.245	22%	0.222	C	C	.	.	H	α-helix	trans	-56	-48.9	172.8	-74	179.3	67.8	177	4.9	111.9	S357 E358 A449 N450 L455 T456 M457	S357-R453 PolarHBondContact O-NH1 3.33Å; E358-R453 PolarHBondContact O-NH2 3.2Å; A449-R453 WeakPolarHBondContact O-CG 3.37Å; A449-R453 PolarHBondContact O-N 3.3Å; N450-R453 PolarHBondContact O-N 3.19Å; R453-L455 PolarHBondContact O-N 2.99Å; R453-T456 WeakPolarHBondContact O-CB 3.33Å; R453-T456 PolarHBondContact O-N 3.49Å; R453-M457 HydrophobicContact CB-CE 4.27Å; R453-M457 VanDerWaalsContact O-CG 3.3Å; R453-M457 WeakPolarHBondContact O-CG 3.44Å; R453-M457 PolarHBondContact O-N 3.07Å
454	L	91.8	Very high	90.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-57.4	-46.9	176.2	179.5	73.3	0	0	0	111.7	L409 W441 W443 V445 N450 K451 A452 T456 M457 C458	L409-L454 HydrophobicContact CD1-CD2 3.72Å; L409-L454 HydrophobicContact CD2-CD1 4.08Å; L409-L454 HydrophobicContact CD2-CD2 3.46Å; L409-L454 VanDerWaalsContact CD2-CD2 3.46Å; L409-L454 HydrophobicContact CD2-CG 4.43Å; L409-L454 HydrophobicContact CG-CD2 4.22Å; W441-L454 HydrophobicContact CH2-CD1 4.42Å; W441-L454 HydrophobicContact CZ3-CD1 4.08Å; W443-L454 HydrophobicContact CB-CD1 4.31Å; W443-L454 HydrophobicContact CG-CD1 4.19Å; V445-L454 HydrophobicContact CG1-CD2 3.5Å; V445-L454 VanDerWaalsContact CG1-CD2 3.5Å; N450-L454 PolarHBondContact O-N 2.69Å; K451-L454 WeakPolarHBondContact O-CB 3.43Å; K451-L454 PolarHBondContact O-N 3Å; A452-L454 PolarHBondContact O-N 3.4Å; L454-T456 VanDerWaalsContact C-N 3.28Å; L454-T456 PolarHBondContact O-N 2.81Å; L454-M457 WeakPolarHBondContact O-CB 3.4Å; L454-M457 PolarHBondContact O-N 2.66Å; L454-M457 VanDerWaalsContact O-N 3.07Å; L454-C458 WeakPolarHBondContact O-CB 3.42Å; L454-C458 PolarHBondContact O-N 2.85Å; L454-C458 PolarHBondContact O-SG 3.31Å; L454-C458 VanDerWaalsContact O-SG 3.36Å
455	L	92.5	Very high	89.8	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-36.9	179.3	-67.1	171.8	0	0	0	111.7	K451 A452 R453 T459 T467 I470 R471	K451-L455 WeakPolarHBondContact O-CG 3.5Å; K451-L455 PolarHBondContact O-N 3.19Å; A452-L455 PolarHBondContact O-N 3.39Å; R453-L455 PolarHBondContact O-N 2.99Å; L455-T459 WeakPolarHBondContact O-CB 3.15Å; L455-T459 PolarHBondContact O-N 3.43Å; L455-T459 PolarHBondContact O-OG1 3.21Å; L455-T467 HydrophobicContact CB-CG2 3.77Å; L455-T467 HydrophobicContact CD2-CG2 3.59Å; L455-T467 WeakPolarHBondContact CD2-O 3.28Å; L455-T467 HydrophobicContact CG-CG2 4.25Å; L455-T467 VanDerWaalsContact O-CG2 3.29Å; L455-T467 WeakPolarHBondContact O-CG2 3.42Å; L455-I470 HydrophobicContact CD2-CB 4.18Å; L455-I470 HydrophobicContact CD2-CG2 3.92Å; L455-R471 HydrophobicContact CD1-CB 4.44Å; L455-R471 HydrophobicContact CD1-CG 4.38Å; L455-R471 HydrophobicContact CD2-CB 4.22Å
456	T	91.7	Very high	89.5	Confident	102 Å²	102	52 Å²	52	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-63.7	-44.1	171.4	-55.8	0	0	0	0	112.1	A452 R453 L454 T459 R460	A452-T456 PolarHBondContact O-N 3Å; A452-T456 PolarHBondContact O-OG1 3.44Å; R453-T456 WeakPolarHBondContact O-CB 3.33Å; R453-T456 PolarHBondContact O-N 3.49Å; L454-T456 VanDerWaalsContact C-N 3.28Å; L454-T456 PolarHBondContact O-N 2.81Å; T456-T459 PolarHBondContact O-N 3.22Å; T456-R460 PolarHBondContact O-N 2.89Å
457	M	91.1	Very high	89.4	Confident	17 Å²	17	50.8 Å²	50.8	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-46.1	177.5	-62	163	-178	0	0	111.8	E360 L387 W441 W443 R453 L454 T459 R460 H461	E360-M457 VanDerWaalsContact CD-CE 3.43Å; E360-M457 HydrophobicContact CG-CE 3.83Å; E360-M457 VanDerWaalsContact OE1-CE 3.32Å; E360-M457 WeakPolarHBondContact OE1-CE 3.34Å; L387-M457 HydrophobicContact CD2-CB 4.01Å; W441-M457 HydrophobicContact CH2-SD 4.47Å; W443-M457 HydrophobicContact CH2-CE 4.42Å; W443-M457 HydrophobicContact CZ2-CE 4.48Å; R453-M457 HydrophobicContact CB-CE 4.27Å; R453-M457 VanDerWaalsContact O-CG 3.3Å; R453-M457 WeakPolarHBondContact O-CG 3.44Å; R453-M457 PolarHBondContact O-N 3.07Å; L454-M457 WeakPolarHBondContact O-CB 3.4Å; L454-M457 PolarHBondContact O-N 2.66Å; L454-M457 VanDerWaalsContact O-N 3.07Å; M457-T459 VanDerWaalsContact C-N 3.31Å; M457-T459 PolarHBondContact O-N 3.25Å; M457-R460 PolarHBondContact O-N 3.26Å; M457-H461 PolarHBondContact O-CD2 2.82Å; M457-H461 VanDerWaalsContact O-CD2 3.32Å; M457-H461 PolarHBondContact O-N 3.12Å
458	C	90.7	Very high	89.3	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-36.5	175.5	-67.9	0	0	0	0	112	L454 R460 H461 F462 G463 T467 I470	L454-C458 WeakPolarHBondContact O-CB 3.42Å; L454-C458 PolarHBondContact O-N 2.85Å; L454-C458 PolarHBondContact O-SG 3.31Å; L454-C458 VanDerWaalsContact O-SG 3.36Å; C458-R460 VanDerWaalsContact C-N 3.27Å; C458-R460 PolarHBondContact O-N 2.92Å; C458-H461 PolarHBondContact O-N 3.42Å; C458-F462 HydrophobicContact CB-CD2 3.98Å; C458-F462 CarbonylContact O-C 3.6Å; C458-F462 WeakPolarHBondContact O-CA 3.44Å; C458-F462 PolarHBondContact O-N 2.99Å; C458-G463 PolarHBondContact O-N 3.28Å; C458-G463 VanDerWaalsContact O-N 3.15Å; C458-T467 WeakPolarHBondContact CB-OG1 3.17Å; C458-I470 HydrophobicContact CB-CD1 4.22Å
459	T	91.3	Very high	89.3	Confident	68 Å²	68	51 Å²	51	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-39.8	176.2	-57.6	0	0	0	0	110.9	L455 T456 M457 G463 T467	L455-T459 WeakPolarHBondContact O-CB 3.15Å; L455-T459 PolarHBondContact O-N 3.43Å; L455-T459 PolarHBondContact O-OG1 3.21Å; T456-T459 PolarHBondContact O-N 3.22Å; M457-T459 VanDerWaalsContact C-N 3.31Å; M457-T459 PolarHBondContact O-N 3.25Å; T459-G463 VanDerWaalsContact O-CA 3.27Å; T459-G463 WeakPolarHBondContact O-CA 3.3Å; T459-G463 PolarHBondContact O-N 3.46Å; T459-T467 VanDerWaalsContact CA-OG1 3.31Å; T459-T467 WeakPolarHBondContact CA-OG1 3.42Å; T459-T467 PolarHBondContact N-OG1 3.04Å; T459-T467 WeakPolarHBondContact OG1-CG2 3.28Å; T459-T467 PolarHBondContact OG1-OG1 3.08Å
460	R	88.8	Confident	89.3	Confident	144 Å²	144	48.7 Å²	48.7	54%	0.543	27%	0.271	S	S	.	.	H	α-helix	trans	-72.4	-40.2	179.1	-174.1	170.6	68.6	122.4	-4.7	113.1	E388 T456 M457 C458	E388-R460 IonicContact OE1-CZ 2.94Å; E388-R460 IonicContact OE1-NH1 2.75Å; E388-R460 PolarHBondContact OE1-NH1 2.84Å; E388-R460 IonicContact OE1-NH2 2.74Å; E388-R460 IonicContact OE2-CZ 3.96Å; E388-R460 IonicContact OE2-NH1 3.27Å; E388-R460 PolarHBondContact OE2-NH1 3.24Å; E388-R460 IonicContact OE2-NH2 3.19Å; E388-R460 PolarHBondContact OE2-NH2 3.27Å; T456-R460 PolarHBondContact O-N 2.89Å; M457-R460 PolarHBondContact O-N 3.26Å; C458-R460 VanDerWaalsContact C-N 3.27Å; C458-R460 PolarHBondContact O-N 2.92Å
461	H	86.1	Confident	89.3	Confident	24 Å²	24	56.5 Å²	56.5	11%	0.111	30%	0.3	C	S	.	.	H	α-helix	trans	-95.9	-29	-171.3	-71.2	-59.3	0	0	0	115.3	M457 C458 N491	M457-H461 PolarHBondContact O-CD2 2.82Å; M457-H461 VanDerWaalsContact O-CD2 3.32Å; M457-H461 PolarHBondContact O-N 3.12Å; C458-H461 PolarHBondContact O-N 3.42Å; H461-N491 WeakPolarHBondContact O-CB 3.46Å; H461-N491 PolarHBondContact O-ND2 2.82Å
462	F	87.6	Confident	89.3	Confident	19 Å²	19	58.1 Å²	58.1	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-129.6	0.8	-174.1	-40.7	-53.6	0	0	0	113.1	L387 I407 C458 V466 V484 N491	L387-F462 HydrophobicContact CD1-CZ 4.46Å; L387-F462 HydrophobicContact CD2-CE2 4.05Å; L387-F462 HydrophobicContact CD2-CZ 4.24Å; I407-F462 HydrophobicContact CD1-CE2 3.62Å; I407-F462 HydrophobicContact CD1-CZ 3.59Å; C458-F462 HydrophobicContact CB-CD2 3.98Å; C458-F462 CarbonylContact O-C 3.6Å; C458-F462 WeakPolarHBondContact O-CA 3.44Å; C458-F462 PolarHBondContact O-N 2.99Å; F462-V466 HydrophobicContact CB-CB 3.91Å; F462-V466 HydrophobicContact CB-CG1 3.84Å; F462-V466 HydrophobicContact CB-CG2 4.08Å; F462-V466 HydrophobicContact CD2-CG1 4.47Å; F462-V466 HydrophobicContact CG-CG1 4.49Å; F462-V466 WeakPolarHBondContact O-CG2 3.19Å; F462-V484 HydrophobicContact CD1-CG1 3.95Å; F462-V484 HydrophobicContact CE1-CG1 3.69Å; F462-V484 HydrophobicContact CZ-CG1 4.44Å; F462-N491 HydrophobicContact CD1-CB 3.75Å; F462-N491 HydrophobicContact CE1-CB 4Å
463	G	86.8	Confident	89.3	Confident	29 Å²	29	58.5 Å²	58.5	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	81.2	175.3	177.7	0	0	0	0	0	115.6	C458 T459 T467	C458-G463 PolarHBondContact O-N 3.28Å; C458-G463 VanDerWaalsContact O-N 3.15Å; T459-G463 VanDerWaalsContact O-CA 3.27Å; T459-G463 WeakPolarHBondContact O-CA 3.3Å; T459-G463 PolarHBondContact O-N 3.46Å; G463-T467 PolarHBondContact O-N 3.47Å; G463-T467 PolarHBondContact O-OG1 2.89Å
464	S	87.7	Confident	89.3	Confident	87 Å²	87	62 Å²	62	61%	0.608	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-37.6	-175.2	-172.8	0	0	0	0	113.1	T467 Q468	S464-T467 WeakPolarHBondContact O-CB 3.49Å; S464-T467 PolarHBondContact O-N 2.91Å; S464-Q468 WeakPolarHBondContact O-CB 3.48Å; S464-Q468 PolarHBondContact O-N 2.87Å
465	V	86.9	Confident	89.2	Confident	119 Å²	119	65 Å²	65	72%	0.721	34%	0.342	S	S	*	.	H	α-helix	trans	-62	-53.4	-176.5	-177.6	0	0	0	0	111.3	T467 Q468 T469	V465-T467 VanDerWaalsContact C-N 3.29Å; V465-T467 PolarHBondContact O-N 2.87Å; V465-Q468 PolarHBondContact O-N 3.24Å; V465-T469 PolarHBondContact O-N 2.89Å; V465-T469 PolarHBondContact O-OG1 2.81Å
466	V	86.4	Confident	89.1	Confident	31 Å²	31	68.5 Å²	68.5	19%	0.188	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-44	177.1	172.7	0	0	0	0	110.9	F462 Q468 T469 I470 V493	F462-V466 HydrophobicContact CB-CB 3.91Å; F462-V466 HydrophobicContact CB-CG1 3.84Å; F462-V466 HydrophobicContact CB-CG2 4.08Å; F462-V466 HydrophobicContact CD2-CG1 4.47Å; F462-V466 HydrophobicContact CG-CG1 4.49Å; F462-V466 WeakPolarHBondContact O-CG2 3.19Å; V466-Q468 VanDerWaalsContact C-N 3.34Å; V466-Q468 PolarHBondContact O-N 3.44Å; V466-T469 PolarHBondContact O-N 3.5Å; V466-I470 HydrophobicContact CG1-CD1 3.98Å; V466-I470 WeakPolarHBondContact O-CG1 3.42Å; V466-I470 PolarHBondContact O-N 3.12Å; V466-V493 HydrophobicContact CB-CG2 4.47Å; V466-V493 HydrophobicContact CG1-CG2 3.62Å; V466-V493 HydrophobicContact CG2-CG2 3.97Å
467	T	88.9	Confident	89	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-42.8	178.3	-57.7	0	0	0	0	112	L455 C458 T459 G463 S464 V465 I470 R471	L455-T467 HydrophobicContact CB-CG2 3.77Å; L455-T467 HydrophobicContact CD2-CG2 3.59Å; L455-T467 WeakPolarHBondContact CD2-O 3.28Å; L455-T467 HydrophobicContact CG-CG2 4.25Å; L455-T467 VanDerWaalsContact O-CG2 3.29Å; L455-T467 WeakPolarHBondContact O-CG2 3.42Å; C458-T467 WeakPolarHBondContact CB-OG1 3.17Å; T459-T467 VanDerWaalsContact CA-OG1 3.31Å; T459-T467 WeakPolarHBondContact CA-OG1 3.42Å; T459-T467 PolarHBondContact N-OG1 3.04Å; T459-T467 WeakPolarHBondContact OG1-CG2 3.28Å; T459-T467 PolarHBondContact OG1-OG1 3.08Å; G463-T467 PolarHBondContact O-N 3.47Å; G463-T467 PolarHBondContact O-OG1 2.89Å; S464-T467 WeakPolarHBondContact O-CB 3.49Å; S464-T467 PolarHBondContact O-N 2.91Å; V465-T467 VanDerWaalsContact C-N 3.29Å; V465-T467 PolarHBondContact O-N 2.87Å; T467-I470 PolarHBondContact O-N 2.98Å; T467-R471 WeakPolarHBondContact O-CB 3.44Å; T467-R471 PolarHBondContact O-N 3.41Å
468	Q	87.8	Confident	89.1	Confident	104 Å²	104	65.6 Å²	65.6	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-37.3	177.7	-172.6	66.5	-2.4	0	0	111.5	S464 V465 V466 R471 T472	S464-Q468 WeakPolarHBondContact O-CB 3.48Å; S464-Q468 PolarHBondContact O-N 2.87Å; V465-Q468 PolarHBondContact O-N 3.24Å; V466-Q468 VanDerWaalsContact C-N 3.34Å; V466-Q468 PolarHBondContact O-N 3.44Å; Q468-R471 WeakPolarHBondContact O-CB 3.35Å; Q468-R471 PolarHBondContact O-N 3.37Å; Q468-T472 WeakPolarHBondContact O-CG2 3.29Å; Q468-T472 PolarHBondContact O-N 2.77Å; Q468-T472 VanDerWaalsContact O-N 3.09Å
469	T	88.2	Confident	89.3	Confident	60 Å²	60	65.5 Å²	65.5	37%	0.368	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-47.7	172.2	-53.4	0	0	0	0	111.5	V465 V466 R471 T472 Y473	V465-T469 PolarHBondContact O-N 2.89Å; V465-T469 PolarHBondContact O-OG1 2.81Å; V466-T469 PolarHBondContact O-N 3.5Å; T469-R471 PolarHBondContact O-N 3.24Å; T469-T472 PolarHBondContact O-N 3.47Å; T469-T472 PolarHBondContact O-OG1 3.29Å; T469-Y473 HydrophobicContact CG2-CE2 3.92Å; T469-Y473 WeakPolarHBondContact O-CD2 3.43Å
470	I	88.8	Confident	89.4	Confident	11 Å²	11	62.2 Å²	62.2	6%	0.056	32%	0.319	C	S	.	.	H	α-helix	trans	-55.7	-41.5	174.6	-65.7	166.3	0	0	0	110.7	L409 L455 C458 V466 T467 T472 Y473 L482	L409-I470 HydrophobicContact CD1-CG2 4.16Å; L455-I470 HydrophobicContact CD2-CB 4.18Å; L455-I470 HydrophobicContact CD2-CG2 3.92Å; C458-I470 HydrophobicContact CB-CD1 4.22Å; V466-I470 HydrophobicContact CG1-CD1 3.98Å; V466-I470 WeakPolarHBondContact O-CG1 3.42Å; V466-I470 PolarHBondContact O-N 3.12Å; T467-I470 PolarHBondContact O-N 2.98Å; I470-T472 VanDerWaalsContact C-N 3.31Å; I470-T472 PolarHBondContact O-N 3.17Å; I470-Y473 PolarHBondContact O-N 3.34Å; I470-L482 HydrophobicContact CD1-CD2 3.74Å; I470-L482 HydrophobicContact CG1-CD2 3.93Å
471	R	90.1	Very high	89.8	Confident	165 Å²	165	55.4 Å²	55.4	62%	0.623	29%	0.294	S	S	*	.	H	α-helix	trans	-66.7	-25	178.1	-170.8	176.9	-174.9	160	6.2	114.2	L455 T467 Q468 T469	L455-R471 HydrophobicContact CD1-CB 4.44Å; L455-R471 HydrophobicContact CD1-CG 4.38Å; L455-R471 HydrophobicContact CD2-CB 4.22Å; T467-R471 WeakPolarHBondContact O-CB 3.44Å; T467-R471 PolarHBondContact O-N 3.41Å; Q468-R471 WeakPolarHBondContact O-CB 3.35Å; Q468-R471 PolarHBondContact O-N 3.37Å; T469-R471 PolarHBondContact O-N 3.24Å
472	T	91.3	Very high	90.2	Very high	95 Å²	95	54.4 Å²	54.4	58%	0.583	29%	0.289	S	S	*	.	H	α-helix	trans	-83.2	-15.6	179.4	53.2	0	0	0	0	114.8	Q468 T469 I470	Q468-T472 WeakPolarHBondContact O-CG2 3.29Å; Q468-T472 PolarHBondContact O-N 2.77Å; Q468-T472 VanDerWaalsContact O-N 3.09Å; T469-T472 PolarHBondContact O-N 3.47Å; T469-T472 PolarHBondContact O-OG1 3.29Å; I470-T472 VanDerWaalsContact C-N 3.31Å; I470-T472 PolarHBondContact O-N 3.17Å
473	Y	91.2	Very high	90.5	Very high	55 Å²	55	53.5 Å²	53.5	22%	0.216	29%	0.285	C	S	.	.			trans	-70.5	135.7	174.7	-66.1	-61.7	0	0	0	111.3	T469 I470 L480 V496	T469-Y473 HydrophobicContact CG2-CE2 3.92Å; T469-Y473 WeakPolarHBondContact O-CD2 3.43Å; I470-Y473 PolarHBondContact O-N 3.34Å; Y473-L480 HydrophobicContact CD2-CD1 3.42Å; Y473-L480 VanDerWaalsContact CD2-CD1 3.42Å; Y473-L480 HydrophobicContact CD2-CD2 4.38Å; Y473-L480 HydrophobicContact CE2-CD1 4.13Å; Y473-L480 HydrophobicContact CG-CD1 3.88Å; Y473-L480 HydrophobicContact CG-CD2 4.36Å; Y473-V496 HydrophobicContact CE2-CG1 3.86Å
474	K	89.7	Confident	90.8	Very high	140 Å²	140	52.1 Å²	52.1	61%	0.609	27%	0.271	S	S	*	.			trans	-87.2	160.6	175.2	-60.1	172.7	-175.5	175	0	110	D476 Q477 F478	K474-D476 VanDerWaalsContact CB-OD1 3.26Å; K474-D476 WeakPolarHBondContact CB-OD1 3.41Å; K474-D476 PolarHBondContact O-N 2.92Å; K474-D476 VanDerWaalsContact O-N 3.12Å; K474-Q477 PolarHBondContact O-N 3.32Å; K474-Q477 VanDerWaalsContact O-N 3.08Å; K474-F478 VanDerWaalsContact O-CD2 3.31Å; K474-F478 WeakPolarHBondContact O-CD2 3.45Å
475	T	89.4	Confident	91	Very high	63 Å²	63	48.3 Å²	48.3	39%	0.387	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-50	-36.9	177.1	-49	0	0	0	0	113.4	D413 S414 Q477 F478	D413-T475 HydrophobicContact CB-CG2 3.62Å; S414-T475 VanDerWaalsContact CB-O 3.3Å; S414-T475 WeakPolarHBondContact CB-O 3.32Å; S414-T475 PolarHBondContact OG-O 3.43Å; T475-Q477 PolarHBondContact O-N 3.32Å; T475-Q477 VanDerWaalsContact O-N 3.16Å; T475-F478 PolarHBondContact O-N 3.48Å; T475-F478 VanDerWaalsContact O-N 3.17Å
476	D	89.9	Confident	91	Very high	92 Å²	92	43.2 Å²	43.2	49%	0.492	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-62	-18.7	-179.7	61	10.2	0	0	0	115.4	L416 K474	L416-D476 WeakPolarHBondContact CD1-O 3.4Å; K474-D476 VanDerWaalsContact CB-OD1 3.26Å; K474-D476 WeakPolarHBondContact CB-OD1 3.41Å; K474-D476 PolarHBondContact O-N 2.92Å; K474-D476 VanDerWaalsContact O-N 3.12Å
477	Q	91	Very high	90.5	Very high	47 Å²	47	45.7 Å²	45.7	22%	0.22	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-97.7	-8.7	179.5	-74.8	150.2	92.9	0	0	113.5	K474 T475 G499	K474-Q477 PolarHBondContact O-N 3.32Å; K474-Q477 VanDerWaalsContact O-N 3.08Å; T475-Q477 PolarHBondContact O-N 3.32Å; T475-Q477 VanDerWaalsContact O-N 3.16Å; Q477-G499 PolarHBondContact O-N 2.87Å
478	F	92.7	Very high	89.7	Confident	11 Å²	11	52.5 Å²	52.5	5%	0.048	25%	0.248	C	C	.	.			trans	-72.8	148.7	176.2	-78	-94.8	0	0	0	111	L409 N411 S414 L416 V445 K474 T475 L480	L409-F478 HydrophobicContact CB-CD1 4.28Å; L409-F478 HydrophobicContact CB-CE1 3.98Å; L409-F478 HydrophobicContact CD1-CE1 4.46Å; N411-F478 HydrophobicContact CB-CB 3.77Å; N411-F478 HydrophobicContact CB-CD1 4.05Å; N411-F478 HydrophobicContact CB-CG 3.89Å; S414-F478 WeakPolarHBondContact CB-O 3.24Å; S414-F478 PolarHBondContact OG-O 2.99Å; L416-F478 WeakPolarHBondContact CB-O 3.1Å; V445-F478 HydrophobicContact CG2-CD1 3.87Å; V445-F478 HydrophobicContact CG2-CE1 3.43Å; V445-F478 VanDerWaalsContact CG2-CE1 3.43Å; V445-F478 HydrophobicContact CG2-CZ 4.02Å; K474-F478 VanDerWaalsContact O-CD2 3.31Å; K474-F478 WeakPolarHBondContact O-CD2 3.45Å; T475-F478 PolarHBondContact O-N 3.48Å; T475-F478 VanDerWaalsContact O-N 3.17Å; F478-L480 HydrophobicContact CD1-CD1 4.27Å; F478-L480 HydrophobicContact CD1-CG 3.92Å; F478-L480 HydrophobicContact CE1-CB 4.49Å; F478-L480 HydrophobicContact CE1-CD1 3.65Å; F478-L480 HydrophobicContact CE1-CG 3.82Å; F478-L480 HydrophobicContact CE2-CD1 4.22Å; F478-L480 HydrophobicContact CG-CG 4.35Å; F478-L480 HydrophobicContact CZ-CD1 3.63Å; F478-L480 HydrophobicContact CZ-CG 4.18Å
479	P	94.4	Very high	88.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.	S	Bend	cis	-81.7	157.2	8.1	33	-32	0	0	0	111.4	Y408 L409 F420 Q498 G499	Y408-P479 HydrophobicContact CD2-CB 4.39Å; Y408-P479 HydrophobicContact CE2-CB 3.48Å; Y408-P479 VanDerWaalsContact CE2-CB 3.48Å; Y408-P479 HydrophobicContact CE2-CG 3.81Å; L409-P479 WeakPolarHBondContact O-CA 3.4Å; L409-P479 WeakPolarHBondContact O-CB 3.27Å; F420-P479 HydrophobicContact CB-CG 3.63Å; F420-P479 HydrophobicContact CD1-CG 3.47Å; F420-P479 VanDerWaalsContact CD1-CG 3.47Å; F420-P479 HydrophobicContact CD2-CG 4.1Å; F420-P479 HydrophobicContact CE1-CG 4.11Å; F420-P479 HydrophobicContact CG-CG 3.46Å; F420-P479 VanDerWaalsContact CG-CG 3.46Å; P479-Q498 CarbonylContact O-C 3.56Å; P479-G499 PolarHBondContact O-N 3.48Å
480	L	94.9	Very high	88.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129	175.7	-57.3	176.1	0	0	0	109	L409 Y473 F478 L482 V496 I497 Q498	L409-L480 HydrophobicContact CB-CB 4.22Å; L409-L480 HydrophobicContact CD1-CB 4.36Å; L409-L480 HydrophobicContact CD1-CD1 4.45Å; L409-L480 PolarHBondContact N-O 3.34Å; L409-L480 PolarHBondContact O-N 2.99Å; L409-L480 VanDerWaalsContact O-N 3.12Å; Y473-L480 HydrophobicContact CD2-CD1 3.42Å; Y473-L480 VanDerWaalsContact CD2-CD1 3.42Å; Y473-L480 HydrophobicContact CD2-CD2 4.38Å; Y473-L480 HydrophobicContact CE2-CD1 4.13Å; Y473-L480 HydrophobicContact CG-CD1 3.88Å; Y473-L480 HydrophobicContact CG-CD2 4.36Å; F478-L480 HydrophobicContact CD1-CD1 4.27Å; F478-L480 HydrophobicContact CD1-CG 3.92Å; F478-L480 HydrophobicContact CE1-CB 4.49Å; F478-L480 HydrophobicContact CE1-CD1 3.65Å; F478-L480 HydrophobicContact CE1-CG 3.82Å; F478-L480 HydrophobicContact CE2-CD1 4.22Å; F478-L480 HydrophobicContact CG-CG 4.35Å; F478-L480 HydrophobicContact CZ-CD1 3.63Å; F478-L480 HydrophobicContact CZ-CG 4.18Å; L480-L482 HydrophobicContact CB-CD1 3.94Å; L480-V496 HydrophobicContact CD2-CG1 4.4Å; L480-I497 WeakPolarHBondContact CA-O 3.32Å; L480-Q498 HydrophobicContact CD2-CG 4.05Å
481	L	95.3	Very high	88.4	Confident	1 Å²	1	54 Å²	54	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.5	169.6	-172.9	70.1	0	0	0	108.5	A406 I407 Y408 I497 L506	A406-L481 HydrophobicContact CB-CD1 4.23Å; I407-L481 WeakPolarHBondContact O-CA 3.3Å; Y408-L481 HydrophobicContact CD2-CD1 4.35Å; L481-I497 HydrophobicContact CB-CB 4.29Å; L481-I497 HydrophobicContact CD2-CD1 4.5Å; L481-I497 PolarHBondContact N-O 3.48Å; L481-I497 PolarHBondContact O-N 2.91Å; L481-L506 HydrophobicContact CD2-CD1 3.76Å
482	L	94.8	Very high	88.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.4	178	-62.3	82.8	0	0	0	109	A406 I407 L409 I470 L480 V493 N495 V496	A406-L482 WeakPolarHBondContact CA-O 3.47Å; I407-L482 HydrophobicContact CB-CB 4.27Å; I407-L482 PolarHBondContact N-O 3.26Å; I407-L482 PolarHBondContact O-N 3.39Å; L409-L482 HydrophobicContact CD1-CD1 3.65Å; L409-L482 HydrophobicContact CG-CD1 3.87Å; I470-L482 HydrophobicContact CD1-CD2 3.74Å; I470-L482 HydrophobicContact CG1-CD2 3.93Å; L480-L482 HydrophobicContact CB-CD1 3.94Å; L482-V493 HydrophobicContact CB-CG1 4.21Å; L482-V493 HydrophobicContact CD2-CG1 4.31Å; L482-N495 WeakPolarHBondContact CA-O 3.44Å; L482-V496 HydrophobicContact CD2-CG2 4.28Å; L482-V496 HydrophobicContact CG-CG1 4.28Å; L482-V496 HydrophobicContact CG-CG2 4.14Å
483	I	95.3	Very high	88.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.4	172.3	-58.3	173	0	0	0	108.1	L404 F438 V493 L494 N495 I497 L510 A513	L404-I483 HydrophobicContact CB-CG2 4.5Å; L404-I483 HydrophobicContact CD1-CG2 4.11Å; L404-I483 HydrophobicContact CD2-CG2 4.43Å; F438-I483 HydrophobicContact CE1-CD1 4.46Å; F438-I483 HydrophobicContact CE1-CG1 4.41Å; F438-I483 HydrophobicContact CE1-CG2 3.86Å; I483-V493 CarbonylContact O-C 3.58Å; I483-V493 WeakPolarHBondContact O-CA 3.26Å; I483-L494 HydrophobicContact CG2-CD1 4.36Å; I483-L494 PolarHBondContact O-N 2.76Å; I483-N495 HydrophobicContact CB-CB 4.24Å; I483-N495 HydrophobicContact CD1-CB 4.14Å; I483-N495 HydrophobicContact CG1-CB 4.42Å; I483-N495 PolarHBondContact N-O 2.88Å; I483-N495 PolarHBondContact O-N 3.33Å; I483-I497 HydrophobicContact CD1-CD1 3.99Å; I483-L510 HydrophobicContact CD1-CD2 3.8Å; I483-L510 HydrophobicContact CD1-CG 4.44Å; I483-L510 HydrophobicContact CG1-CD2 4.37Å; I483-A513 HydrophobicContact CD1-CB 3.86Å; I483-A513 HydrophobicContact CG2-CB 3.84Å
484	V	93.3	Very high	88.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.5	-175.6	-166.8	0	0	0	0	110.2	F395 L405 I407 F462 N491 E492 V493	F395-V484 WeakPolarHBondContact CE1-O 3.23Å; F395-V484 HydrophobicContact CE2-CG1 4.25Å; F395-V484 HydrophobicContact CZ-CB 4.02Å; F395-V484 HydrophobicContact CZ-CG1 3.82Å; L405-V484 HydrophobicContact CB-CB 4.28Å; L405-V484 PolarHBondContact N-O 2.64Å; L405-V484 PolarHBondContact O-N 3Å; I407-V484 HydrophobicContact CD1-CG2 3.91Å; I407-V484 HydrophobicContact CG1-CG2 4.43Å; F462-V484 HydrophobicContact CD1-CG1 3.95Å; F462-V484 HydrophobicContact CE1-CG1 3.69Å; F462-V484 HydrophobicContact CZ-CG1 4.44Å; V484-N491 HydrophobicContact CG1-CB 4.27Å; V484-E492 CarbonylContact C-O 3.55Å; V484-E492 WeakPolarHBondContact CA-O 3.44Å; V484-E492 WeakPolarHBondContact CG1-O 3.16Å; V484-V493 HydrophobicContact CG2-CG2 4.17Å
485	M	90.6	Very high	88.3	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.8	173.1	173.2	-165.2	-87.6	0	0	109	L404 K487 E492 L494 I516 F517 Q520	L404-M485 HydrophobicContact CD2-CB 3.82Å; L404-M485 HydrophobicContact CD2-CG 4.39Å; M485-K487 PolarHBondContact O-N 2.86Å; M485-K487 HydrophobicContact SD-CG 4.21Å; M485-E492 PolarHBondContact N-O 2.82Å; M485-E492 PolarHBondContact O-N 2.81Å; M485-L494 HydrophobicContact CB-CD1 3.92Å; M485-L494 HydrophobicContact CB-CD2 4.05Å; M485-L494 HydrophobicContact CB-CG 3.88Å; M485-L494 HydrophobicContact CE-CD1 4.12Å; M485-L494 HydrophobicContact CE-CD2 4.4Å; M485-L494 HydrophobicContact SD-CD2 4.2Å; M485-I516 HydrophobicContact CE-CG2 4.18Å; M485-F517 HydrophobicContact CE-CB 3.99Å; M485-F517 HydrophobicContact CE-CD2 4.07Å; M485-Q520 HydrophobicContact CE-CB 4.29Å
486	G	86.6	Confident	88.5	Confident	12 Å²	12	40.3 Å²	40.3	12%	0.124	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.1	164.6	0	0	0	0	0	110.6	F395 N491	F395-G486 VanDerWaalsContact CD1-N 3.25Å; G486-N491 WeakPolarHBondContact CA-OD1 3.35Å
487	K	77.3	Confident	88.7	Confident	84 Å²	84	36.1 Å²	36.1	37%	0.365	19%	0.187	S	C	.	.			trans	-86.5	165.8	161.6	-63.7	-175.7	-173	163.2	0	109.4	M485 T489 S490 E492	M485-K487 PolarHBondContact O-N 2.86Å; M485-K487 HydrophobicContact SD-CG 4.21Å; K487-T489 PolarHBondContact O-N 3.03Å; K487-S490 WeakPolarHBondContact CA-O 3.4Å; K487-S490 WeakPolarHBondContact CB-O 3.3Å; K487-S490 PolarHBondContact N-O 2.84Å; K487-S490 PolarHBondContact O-N 2.94Å; K487-E492 WeakPolarHBondContact CD-OE1 3.34Å; K487-E492 VanDerWaalsContact CE-CD 3.49Å; K487-E492 WeakPolarHBondContact CE-OE1 3.05Å; K487-E492 VanDerWaalsContact CE-OE2 3.27Å; K487-E492 WeakPolarHBondContact CE-OE2 3.27Å; K487-E492 IonicContact NZ-OE1 2.71Å; K487-E492 PolarHBondContact NZ-OE1 2.77Å; K487-E492 IonicContact NZ-OE2 3.64Å; K487-E492 PolarHBondContact NZ-OE2 2.8Å
488	R	70.7	Confident	88.8	Confident	153 Å²	153	36.1 Å²	36.1	58%	0.577	19%	0.187	S	C	*	.	S	Bend	trans	-55.8	-18.2	-176	-157.3	174.7	-172.7	98.2	4	115.3	D524	R488-D524 IonicContact NH1-OD2 2.65Å
489	T	72.7	Confident	88.6	Confident	134 Å²	134	35.9 Å²	35.9	82%	0.822	19%	0.188	S	C	*	.	S	Bend	trans	-124	-17.4	-177.6	47.5	0	0	0	0	114.8	K487	K487-T489 PolarHBondContact O-N 3.03Å
490	S	79.8	Confident	88.3	Confident	51 Å²	51	41 Å²	41	36%	0.357	22%	0.216	S	C	.	.			trans	-164.3	149.5	-172.1	50.7	0	0	0	0	112.4	K487	K487-S490 WeakPolarHBondContact CA-O 3.4Å; K487-S490 WeakPolarHBondContact CB-O 3.3Å; K487-S490 PolarHBondContact N-O 2.84Å; K487-S490 PolarHBondContact O-N 2.94Å
491	N	85.8	Confident	88.1	Confident	21 Å²	21	42 Å²	42	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.7	173.6	-54.5	-47.8	0	0	0	110.2	F395 H461 F462 V484 G486	F395-N491 WeakPolarHBondContact CD2-OD1 3.37Å; F395-N491 HydrophobicContact CE2-CB 4.25Å; F395-N491 WeakPolarHBondContact CE2-OD1 3.34Å; H461-N491 WeakPolarHBondContact O-CB 3.46Å; H461-N491 PolarHBondContact O-ND2 2.82Å; F462-N491 HydrophobicContact CD1-CB 3.75Å; F462-N491 HydrophobicContact CE1-CB 4Å; V484-N491 HydrophobicContact CG1-CB 4.27Å; G486-N491 WeakPolarHBondContact CA-OD1 3.35Å
492	E	87.3	Confident	88	Confident	75 Å²	75	45.1 Å²	45.1	35%	0.35	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.2	-177.8	-73	177.5	-149	0	0	111.8	V484 M485 K487	V484-E492 CarbonylContact C-O 3.55Å; V484-E492 WeakPolarHBondContact CA-O 3.44Å; V484-E492 WeakPolarHBondContact CG1-O 3.16Å; M485-E492 PolarHBondContact N-O 2.82Å; M485-E492 PolarHBondContact O-N 2.81Å; K487-E492 WeakPolarHBondContact CD-OE1 3.34Å; K487-E492 VanDerWaalsContact CE-CD 3.49Å; K487-E492 WeakPolarHBondContact CE-OE1 3.05Å; K487-E492 VanDerWaalsContact CE-OE2 3.27Å; K487-E492 WeakPolarHBondContact CE-OE2 3.27Å; K487-E492 IonicContact NZ-OE1 2.71Å; K487-E492 PolarHBondContact NZ-OE1 2.77Å; K487-E492 IonicContact NZ-OE2 3.64Å; K487-E492 PolarHBondContact NZ-OE2 2.8Å
493	V	90.9	Very high	87.8	Confident	36 Å²	36	47.3 Å²	47.3	22%	0.218	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.8	174.4	-174.9	0	0	0	0	109	V466 L482 I483 V484 N495 V496	V466-V493 HydrophobicContact CB-CG2 4.47Å; V466-V493 HydrophobicContact CG1-CG2 3.62Å; V466-V493 HydrophobicContact CG2-CG2 3.97Å; L482-V493 HydrophobicContact CB-CG1 4.21Å; L482-V493 HydrophobicContact CD2-CG1 4.31Å; I483-V493 CarbonylContact O-C 3.58Å; I483-V493 WeakPolarHBondContact O-CA 3.26Å; V484-V493 HydrophobicContact CG2-CG2 4.17Å; V493-N495 WeakPolarHBondContact CG1-O 3.47Å; V493-V496 HydrophobicContact CG1-CG2 3.82Å
494	L	90.6	Very high	87.6	Confident	48 Å²	48	53.5 Å²	53.5	25%	0.251	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-38.3	179.6	-60.3	-178.5	0	0	0	112.5	L404 I483 M485 A513	L404-L494 HydrophobicContact CD2-CD1 4.06Å; I483-L494 HydrophobicContact CG2-CD1 4.36Å; I483-L494 PolarHBondContact O-N 2.76Å; M485-L494 HydrophobicContact CB-CD1 3.92Å; M485-L494 HydrophobicContact CB-CD2 4.05Å; M485-L494 HydrophobicContact CB-CG 3.88Å; M485-L494 HydrophobicContact CE-CD1 4.12Å; M485-L494 HydrophobicContact CE-CD2 4.4Å; M485-L494 HydrophobicContact SD-CD2 4.2Å; L494-A513 HydrophobicContact CD1-CB 4.12Å
495	N	91.4	Very high	87.6	Confident	31 Å²	31	58 Å²	58	17%	0.166	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.8	-174	-95.4	-68.7	0	0	0	110	L482 I483 V493 I497 R509	L482-N495 WeakPolarHBondContact CA-O 3.44Å; I483-N495 HydrophobicContact CB-CB 4.24Å; I483-N495 HydrophobicContact CD1-CB 4.14Å; I483-N495 HydrophobicContact CG1-CB 4.42Å; I483-N495 PolarHBondContact N-O 2.88Å; I483-N495 PolarHBondContact O-N 3.33Å; V493-N495 WeakPolarHBondContact CG1-O 3.47Å; N495-I497 HydrophobicContact CB-CG1 4.48Å; N495-R509 PolarHBondContact OD1-NH1 2.85Å
496	V	93.3	Very high	87.7	Confident	41 Å²	41	57.7 Å²	57.7	25%	0.248	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.7	162.9	-176.4	0	0	0	0	107	Y473 L480 L482 V493	Y473-V496 HydrophobicContact CE2-CG1 3.86Å; L480-V496 HydrophobicContact CD2-CG1 4.4Å; L482-V496 HydrophobicContact CD2-CG2 4.28Å; L482-V496 HydrophobicContact CG-CG1 4.28Å; L482-V496 HydrophobicContact CG-CG2 4.14Å; V493-V496 HydrophobicContact CG1-CG2 3.82Å
497	I	93.6	Very high	88.1	Confident	5 Å²	5	59 Å²	59	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.2	-179.3	-52.4	174.8	0	0	0	108	L480 L481 I483 N495 T501 L506 R509	L480-I497 WeakPolarHBondContact CA-O 3.32Å; L481-I497 HydrophobicContact CB-CB 4.29Å; L481-I497 HydrophobicContact CD2-CD1 4.5Å; L481-I497 PolarHBondContact N-O 3.48Å; L481-I497 PolarHBondContact O-N 2.91Å; I483-I497 HydrophobicContact CD1-CD1 3.99Å; N495-I497 HydrophobicContact CB-CG1 4.48Å; I497-T501 HydrophobicContact CG2-CG2 3.67Å; I497-L506 HydrophobicContact CD1-CD1 3.73Å; I497-L506 HydrophobicContact CG2-CD1 4.24Å; I497-R509 HydrophobicContact CD1-CB 3.5Å; I497-R509 HydrophobicContact CD1-CG 4.16Å; I497-R509 HydrophobicContact CG1-CB 4.13Å; I497-R509 HydrophobicContact CG1-CG 4.31Å
498	Q	92.8	Very high	88.9	Confident	46 Å²	46	61.5 Å²	61.5	22%	0.215	33%	0.325	C	S	.	.			trans	-103.4	161.1	-174.8	-63.6	-170.4	-33.6	0	0	112.2	P479 L480 N500 T501	P479-Q498 CarbonylContact O-C 3.56Å; L480-Q498 HydrophobicContact CD2-CG 4.05Å; Q498-N500 WeakPolarHBondContact CB-OD1 3.16Å; Q498-N500 PolarHBondContact O-N 2.79Å; Q498-T501 WeakPolarHBondContact O-CG2 3.46Å; Q498-T501 PolarHBondContact O-N 2.88Å
499	G	88.8	Confident	90	Very high	7 Å²	7	60 Å²	60	7%	0.072	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.8	-176.1	0	0	0	0	0	116.6	Q477 P479	Q477-G499 PolarHBondContact O-N 2.87Å; P479-G499 PolarHBondContact O-N 3.48Å
500	N	89	Confident	91.1	Very high	107 Å²	107	53.7 Å²	53.7	57%	0.572	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	2.1	-177.8	60.8	-3.3	0	0	0	114	L416 Q498	L416-N500 HydrophobicContact CD1-CB 3.99Å; Q498-N500 WeakPolarHBondContact CB-OD1 3.16Å; Q498-N500 PolarHBondContact O-N 2.79Å
501	T	90.8	Very high	91.8	Very high	21 Å²	21	56.1 Å²	56.1	13%	0.129	29%	0.287	C	S	.	.			trans	-78.7	160.4	-178.3	-155.8	0	0	0	0	113	F420 I497 Q498 E505 L506	F420-T501 HydrophobicContact CE2-CG2 4.02Å; I497-T501 HydrophobicContact CG2-CG2 3.67Å; Q498-T501 WeakPolarHBondContact O-CG2 3.46Å; Q498-T501 PolarHBondContact O-N 2.88Å; T501-E505 VanDerWaalsContact CA-OE2 3.3Å; T501-E505 WeakPolarHBondContact CA-OE2 3.37Å; T501-E505 WeakPolarHBondContact OG1-CB 3.42Å; T501-E505 PolarHBondContact OG1-OE2 3.01Å; T501-L506 HydrophobicContact CG2-CB 4.12Å
502	T	91.9	Very high	92.2	Very high	66 Å²	66	56.3 Å²	56.3	41%	0.405	29%	0.294	S	S	.	.			trans	-92.3	166.7	174	61.1	0	0	0	0	112.7	D504 E505 L506	T502-D504 VanDerWaalsContact C-N 3.28Å; T502-D504 PolarHBondContact O-N 3.36Å; T502-E505 PolarHBondContact N-OE2 2.99Å; T502-E505 PolarHBondContact O-N 2.8Å; T502-E505 WeakPolarHBondContact OG1-CB 3.39Å; T502-E505 VanDerWaalsContact OG1-CG 3.26Å; T502-E505 WeakPolarHBondContact OG1-CG 3.28Å; T502-E505 PolarHBondContact OG1-N 2.88Å; T502-E505 PolarHBondContact OG1-OE2 3.2Å; T502-L506 WeakPolarHBondContact O-CB 3.45Å; T502-L506 PolarHBondContact O-N 2.86Å
503	V	90.8	Very high	92.5	Very high	49 Å²	49	52.7 Å²	52.7	30%	0.297	28%	0.277	S	S	.	.	H	α-helix	trans	-58.1	-42.6	177.1	-173.5	0	0	0	0	111.1	M424 I430 L506 M507	M424-V503 HydrophobicContact CE-CG2 3.73Å; M424-V503 HydrophobicContact SD-CB 4.1Å; M424-V503 HydrophobicContact SD-CG2 3.5Å; M424-V503 WeakPolarHBondContact SD-CG2 3.37Å; M424-V503 PolarHBondContact SD-N 2.55Å; M424-V503 VanDerWaalsContact SD-N 3.41Å; I430-V503 HydrophobicContact CD1-CG1 4.38Å; I430-V503 HydrophobicContact CG1-CG1 4.25Å; V503-L506 PolarHBondContact O-N 2.97Å; V503-M507 WeakPolarHBondContact O-CB 3.42Å; V503-M507 PolarHBondContact O-N 3.23Å
504	D	91.9	Very high	92.6	Very high	130 Å²	130	52.4 Å²	52.4	70%	0.695	27%	0.274	S	S	*	.	H	α-helix	trans	-69.9	-39.7	-177	-59.7	-48.5	0	0	0	111.9	T502 M508	T502-D504 VanDerWaalsContact C-N 3.28Å; T502-D504 PolarHBondContact O-N 3.36Å; D504-M508 VanDerWaalsContact O-CB 3.24Å; D504-M508 WeakPolarHBondContact O-CB 3.47Å; D504-M508 PolarHBondContact O-N 3.24Å
505	E	93.1	Very high	92.8	Very high	94 Å²	94	56.9 Å²	56.9	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-45.1	172.5	-73.6	171.8	151.2	0	0	112	T501 T502 M507 M508 R509	T501-E505 VanDerWaalsContact CA-OE2 3.3Å; T501-E505 WeakPolarHBondContact CA-OE2 3.37Å; T501-E505 WeakPolarHBondContact OG1-CB 3.42Å; T501-E505 PolarHBondContact OG1-OE2 3.01Å; T502-E505 PolarHBondContact N-OE2 2.99Å; T502-E505 PolarHBondContact O-N 2.8Å; T502-E505 WeakPolarHBondContact OG1-CB 3.39Å; T502-E505 VanDerWaalsContact OG1-CG 3.26Å; T502-E505 WeakPolarHBondContact OG1-CG 3.28Å; T502-E505 PolarHBondContact OG1-N 2.88Å; T502-E505 PolarHBondContact OG1-OE2 3.2Å; E505-M507 VanDerWaalsContact C-N 3.35Å; E505-M507 PolarHBondContact O-N 2.96Å; E505-M508 PolarHBondContact O-N 3.04Å; E505-R509 VanDerWaalsContact O-CG 3.3Å; E505-R509 WeakPolarHBondContact O-CG 3.32Å; E505-R509 PolarHBondContact O-N 3.49Å
506	L	93.4	Very high	92.8	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-47.8	176.4	172.8	60.2	0	0	0	110.6	F420 M424 I430 L481 I497 T501 T502 V503 R509 L510	F420-L506 HydrophobicContact CZ-CD2 4.25Å; M424-L506 HydrophobicContact CB-CD2 3.74Å; M424-L506 HydrophobicContact CG-CD2 4.35Å; M424-L506 HydrophobicContact SD-CD2 4.43Å; I430-L506 HydrophobicContact CD1-CD2 3.92Å; I430-L506 HydrophobicContact CD1-CG 4.02Å; I430-L506 HydrophobicContact CG1-CD2 4.4Å; I430-L506 HydrophobicContact CG2-CD2 4.2Å; L481-L506 HydrophobicContact CD2-CD1 3.76Å; I497-L506 HydrophobicContact CD1-CD1 3.73Å; I497-L506 HydrophobicContact CG2-CD1 4.24Å; T501-L506 HydrophobicContact CG2-CB 4.12Å; T502-L506 WeakPolarHBondContact O-CB 3.45Å; T502-L506 PolarHBondContact O-N 2.86Å; V503-L506 PolarHBondContact O-N 2.97Å; L506-R509 PolarHBondContact O-N 2.97Å; L506-L510 HydrophobicContact CD1-CD1 3.87Å; L506-L510 HydrophobicContact CD1-CG 4.17Å; L506-L510 HydrophobicContact CG-CD1 3.94Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å; L506-L510 VanDerWaalsContact O-CG 3.29Å; L506-L510 WeakPolarHBondContact O-CG 3.39Å; L506-L510 PolarHBondContact O-N 3.09Å
507	M	93.5	Very high	92.8	Very high	40 Å²	40	58.7 Å²	58.7	20%	0.197	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-43.9	175.7	-173.9	62.8	82.7	0	0	111.3	I430 Y433 V503 E505 R509 L510 M511	I430-M507 HydrophobicContact CD1-CB 4.3Å; I430-M507 HydrophobicContact CD1-CE 3.85Å; Y433-M507 HydrophobicContact CD1-SD 4.23Å; Y433-M507 HydrophobicContact CD2-SD 4.43Å; Y433-M507 HydrophobicContact CG-SD 4.11Å; V503-M507 WeakPolarHBondContact O-CB 3.42Å; V503-M507 PolarHBondContact O-N 3.23Å; E505-M507 VanDerWaalsContact C-N 3.35Å; E505-M507 PolarHBondContact O-N 2.96Å; M507-R509 VanDerWaalsContact C-N 3.34Å; M507-R509 PolarHBondContact O-N 3.48Å; M507-L510 PolarHBondContact O-N 3.31Å; M507-M511 HydrophobicContact CG-CG 4.25Å; M507-M511 HydrophobicContact CG-SD 3.87Å; M507-M511 WeakPolarHBondContact O-CB 3.48Å; M507-M511 VanDerWaalsContact O-CG 3.3Å; M507-M511 WeakPolarHBondContact O-CG 3.18Å; M507-M511 PolarHBondContact O-N 3.28Å; M507-M511 HydrophobicContact SD-CG 4.12Å; M507-M511 HydrophobicContact SD-SD 4.24Å
508	M	94.3	Very high	92.6	Very high	135 Å²	135	61.4 Å²	61.4	67%	0.665	32%	0.317	S	S	*	.	H	α-helix	trans	-60	-41	176.6	-174.5	-173.7	-62.5	0	0	112.4	D504 E505 G512	D504-M508 VanDerWaalsContact O-CB 3.24Å; D504-M508 WeakPolarHBondContact O-CB 3.47Å; D504-M508 PolarHBondContact O-N 3.24Å; E505-M508 PolarHBondContact O-N 3.04Å; M508-G512 PolarHBondContact O-N 2.81Å
509	R	94.9	Very high	92.6	Very high	123 Å²	123	62.4 Å²	62.4	46%	0.464	33%	0.333	S	S	.	.	H	α-helix	trans	-69.2	-40	176.3	-67.3	-66	-172.2	107.8	12.7	112.5	N495 I497 E505 L506 M507 A513	N495-R509 PolarHBondContact OD1-NH1 2.85Å; I497-R509 HydrophobicContact CD1-CB 3.5Å; I497-R509 HydrophobicContact CD1-CG 4.16Å; I497-R509 HydrophobicContact CG1-CB 4.13Å; I497-R509 HydrophobicContact CG1-CG 4.31Å; E505-R509 VanDerWaalsContact O-CG 3.3Å; E505-R509 WeakPolarHBondContact O-CG 3.32Å; E505-R509 PolarHBondContact O-N 3.49Å; L506-R509 PolarHBondContact O-N 2.97Å; M507-R509 VanDerWaalsContact C-N 3.34Å; M507-R509 PolarHBondContact O-N 3.48Å; R509-A513 VanDerWaalsContact O-CB 3.31Å; R509-A513 WeakPolarHBondContact O-CB 3.5Å; R509-A513 PolarHBondContact O-N 3.34Å
510	L	94.9	Very high	92.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-45.7	175.4	-73.2	166.8	0	0	0	111.3	I430 Y433 L434 F438 I483 L506 M507 A513 M514	I430-L510 HydrophobicContact CD1-CD1 4.29Å; Y433-L510 HydrophobicContact CD1-CB 4.07Å; Y433-L510 HydrophobicContact CD1-CD1 4.49Å; Y433-L510 HydrophobicContact CE1-CB 3.85Å; L434-L510 HydrophobicContact CD2-CD1 4.19Å; L434-L510 HydrophobicContact CD2-CD2 3.72Å; L434-L510 HydrophobicContact CG-CD1 4.49Å; F438-L510 HydrophobicContact CE1-CD2 3.95Å; F438-L510 HydrophobicContact CE2-CD2 3.95Å; F438-L510 HydrophobicContact CZ-CB 4.37Å; F438-L510 HydrophobicContact CZ-CD2 3.63Å; I483-L510 HydrophobicContact CD1-CD2 3.8Å; I483-L510 HydrophobicContact CD1-CG 4.44Å; I483-L510 HydrophobicContact CG1-CD2 4.37Å; L506-L510 HydrophobicContact CD1-CD1 3.87Å; L506-L510 HydrophobicContact CD1-CG 4.17Å; L506-L510 HydrophobicContact CG-CD1 3.94Å; L506-L510 WeakPolarHBondContact O-CB 3.48Å; L506-L510 VanDerWaalsContact O-CG 3.29Å; L506-L510 WeakPolarHBondContact O-CG 3.39Å; L506-L510 PolarHBondContact O-N 3.09Å; M507-L510 PolarHBondContact O-N 3.31Å; L510-A513 PolarHBondContact O-N 2.72Å; L510-M514 WeakPolarHBondContact O-CB 3.28Å; L510-M514 PolarHBondContact O-N 2.94Å
511	M	93.9	Very high	92.6	Very high	103 Å²	103	61.9 Å²	61.9	51%	0.507	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-45.9	177.1	-71.8	-179	68.4	0	0	112.2	Y433 M507 A513 M514 E515	Y433-M511 HydrophobicContact CE1-CG 4.42Å; Y433-M511 HydrophobicContact CE2-CG 4.42Å; M507-M511 HydrophobicContact CG-CG 4.25Å; M507-M511 HydrophobicContact CG-SD 3.87Å; M507-M511 WeakPolarHBondContact O-CB 3.48Å; M507-M511 VanDerWaalsContact O-CG 3.3Å; M507-M511 WeakPolarHBondContact O-CG 3.18Å; M507-M511 PolarHBondContact O-N 3.28Å; M507-M511 HydrophobicContact SD-CG 4.12Å; M507-M511 HydrophobicContact SD-SD 4.24Å; M511-A513 VanDerWaalsContact C-N 3.34Å; M511-A513 PolarHBondContact O-N 3.15Å; M511-M514 CarbonylContact O-C 3.55Å; M511-M514 WeakPolarHBondContact O-CB 3.32Å; M511-M514 PolarHBondContact O-N 2.84Å; M511-M514 VanDerWaalsContact O-N 3.13Å; M511-E515 PolarHBondContact O-N 3Å
512	G	95.1	Very high	92.5	Very high	24 Å²	24	66.5 Å²	66.5	25%	0.247	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-35.5	177.7	0	0	0	0	0	113.2	M508 E515 I516	M508-G512 PolarHBondContact O-N 2.81Å; G512-E515 PolarHBondContact O-N 2.93Å; G512-I516 WeakPolarHBondContact O-CD1 3.43Å; G512-I516 WeakPolarHBondContact O-CG1 3.5Å; G512-I516 PolarHBondContact O-N 3.26Å; G512-I516 VanDerWaalsContact O-N 3.16Å
513	A	94.5	Very high	92.4	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-38.7	171.5	0	0	0	0	0	112	L404 I483 L494 R509 L510 M511 F517	L404-A513 HydrophobicContact CD1-CB 4.16Å; I483-A513 HydrophobicContact CD1-CB 3.86Å; I483-A513 HydrophobicContact CG2-CB 3.84Å; L494-A513 HydrophobicContact CD1-CB 4.12Å; R509-A513 VanDerWaalsContact O-CB 3.31Å; R509-A513 WeakPolarHBondContact O-CB 3.5Å; R509-A513 PolarHBondContact O-N 3.34Å; L510-A513 PolarHBondContact O-N 2.72Å; M511-A513 VanDerWaalsContact C-N 3.34Å; M511-A513 PolarHBondContact O-N 3.15Å; A513-F517 WeakPolarHBondContact O-CB 3.48Å; A513-F517 PolarHBondContact O-N 3.49Å
514	M	92.3	Very high	92.3	Very high	30 Å²	30	67.6 Å²	67.6	15%	0.148	34%	0.343	C	S	.	.	H	α-helix	trans	-68.7	-34.8	175.6	-167.7	64	-178	0	0	112.5	L404 Y433 N437 L510 M511 F517 T518	L404-M514 HydrophobicContact CD1-SD 4.31Å; Y433-M514 WeakPolarHBondContact OH-CB 3.26Å; N437-M514 HydrophobicContact CB-CE 4.09Å; N437-M514 HydrophobicContact CB-SD 4.06Å; L510-M514 WeakPolarHBondContact O-CB 3.28Å; L510-M514 PolarHBondContact O-N 2.94Å; M511-M514 CarbonylContact O-C 3.55Å; M511-M514 WeakPolarHBondContact O-CB 3.32Å; M511-M514 PolarHBondContact O-N 2.84Å; M511-M514 VanDerWaalsContact O-N 3.13Å; M514-F517 HydrophobicContact CE-CD1 4.1Å; M514-F517 HydrophobicContact CE-CE1 4.41Å; M514-F517 PolarHBondContact O-N 3.47Å; M514-F517 HydrophobicContact SD-CD1 3.82Å; M514-T518 HydrophobicContact CE-CG2 3.91Å; M514-T518 HydrophobicContact CG-CG2 4.38Å; M514-T518 WeakPolarHBondContact O-CG2 3.41Å; M514-T518 PolarHBondContact O-N 3.05Å; M514-T518 PolarHBondContact O-OG1 3.12Å
515	E	94.1	Very high	92.1	Very high	142 Å²	142	62.4 Å²	62.4	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-51.7	173.9	-175.5	173.4	-163.9	0	0	110.9	M511 G512 F517 T518 A519	M511-E515 PolarHBondContact O-N 3Å; G512-E515 PolarHBondContact O-N 2.93Å; E515-F517 VanDerWaalsContact C-N 3.27Å; E515-F517 PolarHBondContact O-N 2.96Å; E515-T518 PolarHBondContact O-N 3.01Å; E515-T518 PolarHBondContact O-OG1 3.16Å; E515-A519 PolarHBondContact O-N 2.83Å
516	I	92.4	Very high	92	Very high	96 Å²	96	64.2 Å²	64.2	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-41	174.9	-62.5	164.4	0	0	0	110.8	M485 G512 Q520	M485-I516 HydrophobicContact CE-CG2 4.18Å; G512-I516 WeakPolarHBondContact O-CD1 3.43Å; G512-I516 WeakPolarHBondContact O-CG1 3.5Å; G512-I516 PolarHBondContact O-N 3.26Å; G512-I516 VanDerWaalsContact O-N 3.16Å; I516-Q520 PolarHBondContact O-N 3.34Å; I516-Q520 VanDerWaalsContact O-N 3.15Å
517	F	91.8	Very high	91.8	Very high	14 Å²	14	67.2 Å²	67.2	6%	0.061	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-50.7	176.3	175.6	-99.9	0	0	0	113	R402 L404 M485 A513 M514 E515 A519 Q520 Q521	R402-F517 HydrophobicContact CB-CE2 4.5Å; R402-F517 HydrophobicContact CB-CZ 4.06Å; R402-F517 WeakPolarHBondContact O-CZ 2.99Å; L404-F517 HydrophobicContact CD1-CB 3.86Å; L404-F517 HydrophobicContact CD1-CG 4.22Å; L404-F517 HydrophobicContact CD2-CB 3.99Å; L404-F517 HydrophobicContact CD2-CD2 3.68Å; L404-F517 HydrophobicContact CD2-CE2 4.47Å; L404-F517 HydrophobicContact CD2-CG 3.97Å; L404-F517 HydrophobicContact CG-CB 3.94Å; L404-F517 HydrophobicContact CG-CD1 4.38Å; L404-F517 HydrophobicContact CG-CD2 3.9Å; L404-F517 HydrophobicContact CG-CG 3.8Å; M485-F517 HydrophobicContact CE-CB 3.99Å; M485-F517 HydrophobicContact CE-CD2 4.07Å; A513-F517 WeakPolarHBondContact O-CB 3.48Å; A513-F517 PolarHBondContact O-N 3.49Å; M514-F517 HydrophobicContact CE-CD1 4.1Å; M514-F517 HydrophobicContact CE-CE1 4.41Å; M514-F517 PolarHBondContact O-N 3.47Å; M514-F517 HydrophobicContact SD-CD1 3.82Å; E515-F517 VanDerWaalsContact C-N 3.27Å; E515-F517 PolarHBondContact O-N 2.96Å; F517-A519 VanDerWaalsContact C-N 3.3Å; F517-A519 PolarHBondContact O-N 3.24Å; F517-Q520 PolarHBondContact O-N 2.82Å; F517-Q521 HydrophobicContact CE1-CB 4.33Å; F517-Q521 HydrophobicContact CE1-CG 4.36Å; F517-Q521 HydrophobicContact CZ-CB 4.37Å; F517-Q521 HydrophobicContact CZ-CG 4.27Å; F517-Q521 WeakPolarHBondContact O-CB 3.29Å; F517-Q521 PolarHBondContact O-N 2.9Å
518	T	91.1	Very high	91.6	Very high	62 Å²	62	67.6 Å²	67.6	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-33.6	-179.3	52.8	0	0	0	0	112.7	M514 E515 Q522	M514-T518 HydrophobicContact CE-CG2 3.91Å; M514-T518 HydrophobicContact CG-CG2 4.38Å; M514-T518 WeakPolarHBondContact O-CG2 3.41Å; M514-T518 PolarHBondContact O-N 3.05Å; M514-T518 PolarHBondContact O-OG1 3.12Å; E515-T518 PolarHBondContact O-N 3.01Å; E515-T518 PolarHBondContact O-OG1 3.16Å; T518-Q522 VanDerWaalsContact O-CB 3.27Å; T518-Q522 WeakPolarHBondContact O-CB 3.27Å; T518-Q522 PolarHBondContact O-N 3.28Å
519	A	91.7	Very high	91.4	Very high	66 Å²	66	64.1 Å²	64.1	55%	0.545	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-51.6	171.9	0	0	0	0	0	111.7	E515 F517 Q521 Q522 E523	E515-A519 PolarHBondContact O-N 2.83Å; F517-A519 VanDerWaalsContact C-N 3.3Å; F517-A519 PolarHBondContact O-N 3.24Å; A519-Q521 VanDerWaalsContact C-N 3.35Å; A519-Q521 PolarHBondContact O-N 2.98Å; A519-Q522 PolarHBondContact O-N 3.46Å; A519-E523 PolarHBondContact O-N 2.83Å; A519-E523 VanDerWaalsContact O-N 3.17Å
520	Q	87.8	Confident	91.2	Very high	72 Å²	72	62 Å²	62	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-37.8	178.5	-169.1	62.9	77.1	0	0	112.2	M485 I516 F517 E523 D524	M485-Q520 HydrophobicContact CE-CB 4.29Å; I516-Q520 PolarHBondContact O-N 3.34Å; I516-Q520 VanDerWaalsContact O-N 3.15Å; F517-Q520 PolarHBondContact O-N 2.82Å; Q520-E523 PolarHBondContact NE2-OE2 2.08Å; Q520-E523 PolarHBondContact O-N 2.77Å; Q520-D524 PolarHBondContact O-N 3.01Å
521	Q	89.4	Confident	90.9	Very high	31 Å²	31	67.1 Å²	67.1	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-42	176.3	-169.6	-177.1	32.9	0	0	110.8	A399 R400 R402 F517 A519 E523 D524 I525	A399-Q521 WeakPolarHBondContact O-CG 3.44Å; A399-Q521 PolarHBondContact O-NE2 3.3Å; R400-Q521 PolarHBondContact O-NE2 2.76Å; R402-Q521 PolarHBondContact O-NE2 2.78Å; F517-Q521 HydrophobicContact CE1-CB 4.33Å; F517-Q521 HydrophobicContact CE1-CG 4.36Å; F517-Q521 HydrophobicContact CZ-CB 4.37Å; F517-Q521 HydrophobicContact CZ-CG 4.27Å; F517-Q521 WeakPolarHBondContact O-CB 3.29Å; F517-Q521 PolarHBondContact O-N 2.9Å; A519-Q521 VanDerWaalsContact C-N 3.35Å; A519-Q521 PolarHBondContact O-N 2.98Å; Q521-E523 VanDerWaalsContact C-N 3.32Å; Q521-E523 PolarHBondContact O-N 2.95Å; Q521-D524 PolarHBondContact O-N 3.04Å; Q521-I525 HydrophobicContact CG-CD1 3.93Å; Q521-I525 HydrophobicContact CG-CG1 4.43Å; Q521-I525 WeakPolarHBondContact O-CB 3.46Å; Q521-I525 WeakPolarHBondContact O-CD1 3.49Å; Q521-I525 WeakPolarHBondContact O-CG1 3.5Å; Q521-I525 PolarHBondContact O-N 2.95Å
522	Q	90.3	Very high	90.7	Very high	118 Å²	118	67.1 Å²	67.1	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-68.1	-31.6	178.3	-175.9	57.3	91.2	0	0	112.5	T518 A519 K526	T518-Q522 VanDerWaalsContact O-CB 3.27Å; T518-Q522 WeakPolarHBondContact O-CB 3.27Å; T518-Q522 PolarHBondContact O-N 3.28Å; A519-Q522 PolarHBondContact O-N 3.46Å; Q522-K526 WeakPolarHBondContact O-CB 2.67Å; Q522-K526 PolarHBondContact O-N 3.48Å
523	E	89.3	Confident	90.6	Very high	116 Å²	116	68.3 Å²	68.3	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-65	-56	167.7	-175.7	170.2	-127.1	0	0	110.7	A519 Q520 Q521 I525 K526 D527	A519-E523 PolarHBondContact O-N 2.83Å; A519-E523 VanDerWaalsContact O-N 3.17Å; Q520-E523 PolarHBondContact NE2-OE2 2.08Å; Q520-E523 PolarHBondContact O-N 2.77Å; Q521-E523 VanDerWaalsContact C-N 3.32Å; Q521-E523 PolarHBondContact O-N 2.95Å; E523-I525 VanDerWaalsContact C-N 3.26Å; E523-I525 PolarHBondContact O-N 3.26Å; E523-K526 WeakPolarHBondContact O-CB 3.41Å; E523-K526 PolarHBondContact O-N 3.21Å; E523-D527 WeakPolarHBondContact O-CB 3.31Å; E523-D527 PolarHBondContact O-N 3.19Å
524	D	87.7	Confident	90.4	Very high	23 Å²	23	76.4 Å²	76.4	12%	0.123	37%	0.374	C	S	.	.	H	α-helix	trans	-54.6	-38.6	178.7	-114.2	69.3	0	0	0	112.7	A399 R402 R488 Q520 Q521 D527 E528	A399-D524 HydrophobicContact CB-CB 3.95Å; R402-D524 IonicContact CZ-OD2 2.78Å; R402-D524 IonicContact NH1-OD2 2.63Å; R402-D524 PolarHBondContact NH1-OD2 2.62Å; R402-D524 IonicContact NH2-OD2 2.79Å; R402-D524 PolarHBondContact NH2-OD2 2.79Å; R488-D524 IonicContact NH1-OD2 2.65Å; Q520-D524 PolarHBondContact O-N 3.01Å; Q521-D524 PolarHBondContact O-N 3.04Å; D524-D527 PolarHBondContact O-N 3.37Å; D524-E528 VanDerWaalsContact O-CB 3.29Å; D524-E528 WeakPolarHBondContact O-CB 3.23Å; D524-E528 PolarHBondContact O-N 2.76Å
525	I	89.2	Confident	90.4	Very high	20 Å²	20	80.8 Å²	80.8	10%	0.103	40%	0.395	C	S	.	.	H	α-helix	trans	-63.3	-49.6	174.6	-70.3	162.2	0	0	0	111	A399 R400 Q521 E523 D527 E528 D529	A399-I525 HydrophobicContact CB-CB 4.3Å; A399-I525 HydrophobicContact CB-CG1 3.53Å; R400-I525 HydrophobicContact CB-CD1 4.41Å; R400-I525 HydrophobicContact CG-CD1 3.7Å; R400-I525 HydrophobicContact CG-CG1 3.64Å; R400-I525 HydrophobicContact CG-CG2 4.15Å; Q521-I525 HydrophobicContact CG-CD1 3.93Å; Q521-I525 HydrophobicContact CG-CG1 4.43Å; Q521-I525 WeakPolarHBondContact O-CB 3.46Å; Q521-I525 WeakPolarHBondContact O-CD1 3.49Å; Q521-I525 WeakPolarHBondContact O-CG1 3.5Å; Q521-I525 PolarHBondContact O-N 2.95Å; E523-I525 VanDerWaalsContact C-N 3.26Å; E523-I525 PolarHBondContact O-N 3.26Å; I525-D527 PolarHBondContact O-N 2.87Å; I525-E528 PolarHBondContact O-N 3.38Å; I525-D529 VanDerWaalsContact CG2-OD2 3.27Å; I525-D529 WeakPolarHBondContact CG2-OD2 3.26Å; I525-D529 WeakPolarHBondContact O-CB 3.47Å; I525-D529 PolarHBondContact O-N 3.27Å
526	K	90.9	Very high	90.3	Very high	132 Å²	132	78.5 Å²	78.5	57%	0.574	39%	0.385	S	S	*	.	H	α-helix	trans	-61.6	-39.4	179.6	-179.8	-161.9	165.9	-142.1	0	110.5	Q522 E523 E528 E530	Q522-K526 WeakPolarHBondContact O-CB 2.67Å; Q522-K526 PolarHBondContact O-N 3.48Å; E523-K526 WeakPolarHBondContact O-CB 3.41Å; E523-K526 PolarHBondContact O-N 3.21Å; K526-E528 VanDerWaalsContact C-N 3.34Å; K526-E530 VanDerWaalsContact O-CB 3.27Å; K526-E530 WeakPolarHBondContact O-CB 3.46Å; K526-E530 PolarHBondContact O-N 2.93Å
527	D	89.1	Confident	90.4	Very high	64 Å²	64	77.3 Å²	77.3	34%	0.342	38%	0.382	S	S	.	.	H	α-helix	trans	-69.6	-30.6	179	-132.3	51.8	0	0	0	112.4	E523 D524 I525 R531	E523-D527 WeakPolarHBondContact O-CB 3.31Å; E523-D527 PolarHBondContact O-N 3.19Å; D524-D527 PolarHBondContact O-N 3.37Å; I525-D527 PolarHBondContact O-N 2.87Å; D527-R531 WeakPolarHBondContact O-CD 3.38Å; D527-R531 VanDerWaalsContact O-CG 3.23Å; D527-R531 WeakPolarHBondContact O-CG 3.43Å; D527-R531 PolarHBondContact O-N 3.44Å; D527-R531 PolarHBondContact O-NH1 2.83Å; D527-R531 IonicContact OD2-CZ 3.83Å; D527-R531 IonicContact OD2-NH1 2.77Å; D527-R531 PolarHBondContact OD2-NH1 3.13Å; D527-R531 IonicContact OD2-NH2 2.69Å; D527-R531 PolarHBondContact OD2-NH2 2.91Å
528	E	88.1	Confident	90.5	Very high	48 Å²	48	82.8 Å²	82.8	22%	0.224	41%	0.406	C	S	.	.	H	α-helix	trans	-76.5	-49.8	173.1	-170	155.2	-102.4	0	0	110.8	A399 D524 I525 K526 E530 R531 E532	A399-E528 WeakPolarHBondContact CB-OE2 3.49Å; A399-E528 PolarHBondContact N-OE2 2.99Å; D524-E528 VanDerWaalsContact O-CB 3.29Å; D524-E528 WeakPolarHBondContact O-CB 3.23Å; D524-E528 PolarHBondContact O-N 2.76Å; I525-E528 PolarHBondContact O-N 3.38Å; K526-E528 VanDerWaalsContact C-N 3.34Å; E528-E530 VanDerWaalsContact C-N 3.34Å; E528-E530 PolarHBondContact O-N 3.21Å; E528-R531 PolarHBondContact O-N 2.63Å; E528-R531 VanDerWaalsContact O-N 3.17Å; E528-E532 PolarHBondContact O-N 3.04Å
529	D	89.9	Confident	90.6	Very high	62 Å²	62	85.7 Å²	85.7	33%	0.332	41%	0.41	S	S	.	.	H	α-helix	trans	-58.9	-39.8	175.9	-73.6	-37.5	0	0	0	112.2	R400 I525 E532 A533	R400-D529 IonicContact CZ-OD1 2.72Å; R400-D529 IonicContact CZ-OD2 3.66Å; R400-D529 IonicContact NH2-OD1 2.65Å; R400-D529 PolarHBondContact NH2-OD1 3.39Å; R400-D529 IonicContact NH2-OD2 3.84Å; R400-D529 PolarHBondContact NH2-OD2 2.79Å; I525-D529 VanDerWaalsContact CG2-OD2 3.27Å; I525-D529 WeakPolarHBondContact CG2-OD2 3.26Å; I525-D529 WeakPolarHBondContact O-CB 3.47Å; I525-D529 PolarHBondContact O-N 3.27Å; D529-E532 PolarHBondContact O-N 2.99Å; D529-A533 VanDerWaalsContact O-CB 3.31Å; D529-A533 WeakPolarHBondContact O-CB 3.32Å; D529-A533 PolarHBondContact O-N 2.78Å
530	E	91.1	Very high	90.7	Very high	78 Å²	78	88.3 Å²	88.3	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-70.1	-35	177.6	-176.3	170.5	175.4	0	0	112.2	K526 E528 A533 R534	K526-E530 VanDerWaalsContact O-CB 3.27Å; K526-E530 WeakPolarHBondContact O-CB 3.46Å; K526-E530 PolarHBondContact O-N 2.93Å; E528-E530 VanDerWaalsContact C-N 3.34Å; E528-E530 PolarHBondContact O-N 3.21Å; E530-A533 PolarHBondContact O-N 3.24Å; E530-R534 HydrophobicContact CG-CG 4.38Å; E530-R534 WeakPolarHBondContact O-CB 3.47Å; E530-R534 WeakPolarHBondContact O-CG 3.42Å; E530-R534 PolarHBondContact O-N 2.84Å; E530-R534 IonicContact OE1-CZ 3.61Å; E530-R534 VanDerWaalsContact OE1-CZ 3.22Å; E530-R534 IonicContact OE1-NE 2.81Å; E530-R534 PolarHBondContact OE1-NE 2.9Å; E530-R534 IonicContact OE1-NH2 2.76Å; E530-R534 PolarHBondContact OE1-NH2 2.83Å
531	R	89.4	Confident	90.9	Very high	108 Å²	108	90.7 Å²	90.7	41%	0.408	42%	0.422	S	S	.	.	H	α-helix	trans	-65.7	-47.6	172.4	-73.1	171.8	-172.7	104.3	2.5	110.8	D527 E528 A533 R534 E535	D527-R531 WeakPolarHBondContact O-CD 3.38Å; D527-R531 VanDerWaalsContact O-CG 3.23Å; D527-R531 WeakPolarHBondContact O-CG 3.43Å; D527-R531 PolarHBondContact O-N 3.44Å; D527-R531 PolarHBondContact O-NH1 2.83Å; D527-R531 IonicContact OD2-CZ 3.83Å; D527-R531 IonicContact OD2-NH1 2.77Å; D527-R531 PolarHBondContact OD2-NH1 3.13Å; D527-R531 IonicContact OD2-NH2 2.69Å; D527-R531 PolarHBondContact OD2-NH2 2.91Å; E528-R531 PolarHBondContact O-N 2.63Å; E528-R531 VanDerWaalsContact O-N 3.17Å; R531-A533 VanDerWaalsContact C-N 3.29Å; R531-A533 PolarHBondContact O-N 3.42Å; R531-R534 PolarHBondContact O-N 3.34Å; R531-E535 PolarHBondContact O-N 3.48Å
532	E	89.2	Confident	91.1	Very high	103 Å²	103	93.5 Å²	93.5	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-58.7	-40.7	175.9	-71.8	-166.1	-177.5	0	0	111.7	E528 D529 E535 M536	E528-E532 PolarHBondContact O-N 3.04Å; D529-E532 PolarHBondContact O-N 2.99Å; E532-E535 PolarHBondContact O-N 3.03Å; E532-M536 VanDerWaalsContact O-CB 3.32Å; E532-M536 WeakPolarHBondContact O-CB 3.19Å; E532-M536 PolarHBondContact O-N 3.03Å
533	A	92.3	Very high	91.3	Very high	49 Å²	49	92.3 Å²	92.3	41%	0.405	43%	0.433	S	S	.	.	H	α-helix	trans	-66.4	-43.8	176.2	0	0	0	0	0	113	D529 E530 R531 E535 M536 V537	D529-A533 VanDerWaalsContact O-CB 3.31Å; D529-A533 WeakPolarHBondContact O-CB 3.32Å; D529-A533 PolarHBondContact O-N 2.78Å; E530-A533 PolarHBondContact O-N 3.24Å; R531-A533 VanDerWaalsContact C-N 3.29Å; R531-A533 PolarHBondContact O-N 3.42Å; A533-E535 VanDerWaalsContact C-N 3.34Å; A533-E535 PolarHBondContact O-N 3.29Å; A533-M536 WeakPolarHBondContact O-CB 3.23Å; A533-M536 PolarHBondContact O-N 2.92Å; A533-V537 WeakPolarHBondContact O-CG2 3.41Å; A533-V537 PolarHBondContact O-N 3.46Å
534	R	91.9	Very high	91.6	Very high	170 Å²	170	89.6 Å²	89.6	64%	0.642	43%	0.43	S	S	*	.	H	α-helix	trans	-61.4	-41.6	175.2	-72.6	167.6	-179.7	-158.6	7.1	111.4	E530 R531 K538	E530-R534 HydrophobicContact CG-CG 4.38Å; E530-R534 WeakPolarHBondContact O-CB 3.47Å; E530-R534 WeakPolarHBondContact O-CG 3.42Å; E530-R534 PolarHBondContact O-N 2.84Å; E530-R534 IonicContact OE1-CZ 3.61Å; E530-R534 VanDerWaalsContact OE1-CZ 3.22Å; E530-R534 IonicContact OE1-NE 2.81Å; E530-R534 PolarHBondContact OE1-NE 2.9Å; E530-R534 IonicContact OE1-NH2 2.76Å; E530-R534 PolarHBondContact OE1-NH2 2.83Å; R531-R534 PolarHBondContact O-N 3.34Å; R534-K538 WeakPolarHBondContact O-CB 3.46Å; R534-K538 PolarHBondContact O-N 3.03Å; R534-K538 VanDerWaalsContact O-N 3.1Å
535	E	91.2	Very high	91.9	Very high	122 Å²	122	95.7 Å²	95.7	57%	0.57	45%	0.452	S	S	*	.	H	α-helix	trans	-67.8	-35.7	173.9	-73.5	-170.7	-166.9	0	0	113.1	R531 E532 A533 R539	R531-E535 PolarHBondContact O-N 3.48Å; E532-E535 PolarHBondContact O-N 3.03Å; A533-E535 VanDerWaalsContact C-N 3.34Å; A533-E535 PolarHBondContact O-N 3.29Å; E535-R539 WeakPolarHBondContact O-CB 3.37Å; E535-R539 PolarHBondContact O-N 3.35Å; E535-R539 IonicContact OE2-NH2 2.57Å
536	M	93.4	Very high	92.1	Very high	94 Å²	94	101 Å²	101	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-51.4	175.7	-170.9	-178.9	-57.6	0	0	111.5	E532 A533 K538 R539 E540	E532-M536 VanDerWaalsContact O-CB 3.32Å; E532-M536 WeakPolarHBondContact O-CB 3.19Å; E532-M536 PolarHBondContact O-N 3.03Å; A533-M536 WeakPolarHBondContact O-CB 3.23Å; A533-M536 PolarHBondContact O-N 2.92Å; M536-K538 VanDerWaalsContact C-N 3.31Å; M536-K538 PolarHBondContact O-N 3.49Å; M536-R539 WeakPolarHBondContact O-CB 3.46Å; M536-R539 PolarHBondContact O-N 3.01Å; M536-R539 VanDerWaalsContact O-N 3.12Å; M536-E540 WeakPolarHBondContact O-CG 3.37Å; M536-E540 PolarHBondContact O-N 3.34Å
537	V	93.4	Very high	92.3	Very high	72 Å²	72	100.1 Å²	100.1	44%	0.436	47%	0.472	S	S	.	.	H	α-helix	trans	-59.8	-41.9	177.3	171.6	0	0	0	0	111.2	A533 E540 Q541	A533-V537 WeakPolarHBondContact O-CG2 3.41Å; A533-V537 PolarHBondContact O-N 3.46Å; V537-E540 PolarHBondContact O-N 3.15Å; V537-Q541 WeakPolarHBondContact O-CB 3.5Å; V537-Q541 VanDerWaalsContact O-CG 3.27Å; V537-Q541 WeakPolarHBondContact O-CG 3.24Å; V537-Q541 PolarHBondContact O-N 3.16Å
538	K	94.3	Very high	92.5	Very high	129 Å²	129	100.6 Å²	100.6	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-60.6	-45.8	174.7	-177.5	-179.8	175	-175.9	0	111.7	R534 M536 Q541 D542	R534-K538 WeakPolarHBondContact O-CB 3.46Å; R534-K538 PolarHBondContact O-N 3.03Å; R534-K538 VanDerWaalsContact O-N 3.1Å; M536-K538 VanDerWaalsContact C-N 3.31Å; M536-K538 PolarHBondContact O-N 3.49Å; K538-Q541 PolarHBondContact O-N 3.19Å; K538-D542 WeakPolarHBondContact CE-OD2 3.49Å; K538-D542 WeakPolarHBondContact O-CB 3.3Å; K538-D542 PolarHBondContact O-N 2.94Å
539	R	93.9	Very high	92.9	Very high	123 Å²	123	102.4 Å²	102.4	46%	0.464	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-45.2	179.9	-165	-177.1	-51.2	107.6	7.5	111.4	E535 M536 Q541 D542 E543	E535-R539 WeakPolarHBondContact O-CB 3.37Å; E535-R539 PolarHBondContact O-N 3.35Å; E535-R539 IonicContact OE2-NH2 2.57Å; M536-R539 WeakPolarHBondContact O-CB 3.46Å; M536-R539 PolarHBondContact O-N 3.01Å; M536-R539 VanDerWaalsContact O-N 3.12Å; R539-Q541 VanDerWaalsContact C-N 3.32Å; R539-Q541 PolarHBondContact O-N 2.91Å; R539-D542 PolarHBondContact O-N 2.95Å; R539-E543 WeakPolarHBondContact O-CB 3.45Å; R539-E543 VanDerWaalsContact O-CG 3.3Å; R539-E543 WeakPolarHBondContact O-CG 3.3Å; R539-E543 PolarHBondContact O-N 3.03Å
540	E	93.6	Very high	93	Very high	121 Å²	121	103.3 Å²	103.3	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-61	-39.7	175.3	-70.1	179.4	166.2	0	0	112.1	M536 V537 A544	M536-E540 WeakPolarHBondContact O-CG 3.37Å; M536-E540 PolarHBondContact O-N 3.34Å; V537-E540 PolarHBondContact O-N 3.15Å; E540-A544 VanDerWaalsContact O-CB 3.25Å; E540-A544 WeakPolarHBondContact O-CB 3.43Å; E540-A544 PolarHBondContact O-N 3.24Å
541	Q	91.6	Very high	93.1	Very high	122 Å²	122	102.4 Å²	102.4	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-66.4	-46	174.7	-71.9	173.6	10.1	0	0	112.4	V537 K538 R539 E543 A544 Y545	V537-Q541 WeakPolarHBondContact O-CB 3.5Å; V537-Q541 VanDerWaalsContact O-CG 3.27Å; V537-Q541 WeakPolarHBondContact O-CG 3.24Å; V537-Q541 PolarHBondContact O-N 3.16Å; K538-Q541 PolarHBondContact O-N 3.19Å; R539-Q541 VanDerWaalsContact C-N 3.32Å; R539-Q541 PolarHBondContact O-N 2.91Å; Q541-E543 VanDerWaalsContact C-N 3.32Å; Q541-E543 PolarHBondContact O-N 3.19Å; Q541-A544 PolarHBondContact O-N 3.26Å; Q541-Y545 VanDerWaalsContact O-CB 3.22Å; Q541-Y545 WeakPolarHBondContact O-CB 3.29Å; Q541-Y545 PolarHBondContact O-N 3.31Å
542	D	93.8	Very high	93.3	Very high	90 Å²	90	100.8 Å²	100.8	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-39.7	177.2	-74.7	-27.1	0	0	0	111.1	K538 R539 R546	K538-D542 WeakPolarHBondContact CE-OD2 3.49Å; K538-D542 WeakPolarHBondContact O-CB 3.3Å; K538-D542 PolarHBondContact O-N 2.94Å; R539-D542 PolarHBondContact O-N 2.95Å; D542-R546 WeakPolarHBondContact O-CB 3.41Å; D542-R546 PolarHBondContact O-N 2.84Å
543	E	94.1	Very high	93.5	Very high	93 Å²	93	103.5 Å²	103.5	44%	0.435	51%	0.505	S	S	.	.	H	α-helix	trans	-71.4	-43.3	176.4	-66.6	-154.5	141.1	0	0	113	R539 Q541 Y545 R546 L547	R539-E543 WeakPolarHBondContact O-CB 3.45Å; R539-E543 VanDerWaalsContact O-CG 3.3Å; R539-E543 WeakPolarHBondContact O-CG 3.3Å; R539-E543 PolarHBondContact O-N 3.03Å; Q541-E543 VanDerWaalsContact C-N 3.32Å; Q541-E543 PolarHBondContact O-N 3.19Å; E543-Y545 VanDerWaalsContact C-N 3.32Å; E543-Y545 PolarHBondContact O-N 3.21Å; E543-R546 PolarHBondContact O-N 2.65Å; E543-R546 IonicContact OE1-CZ 2.82Å; E543-R546 IonicContact OE1-NH2 3.98Å; E543-R546 PolarHBondContact OE1-NH2 2.89Å; E543-L547 WeakPolarHBondContact O-CG 3.45Å; E543-L547 PolarHBondContact O-N 3.38Å
544	A	94.9	Very high	93.6	Very high	59 Å²	59	106.6 Å²	106.6	49%	0.488	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-39.3	174.7	0	0	0	0	0	111.8	E540 Q541 L547 S548	E540-A544 VanDerWaalsContact O-CB 3.25Å; E540-A544 WeakPolarHBondContact O-CB 3.43Å; E540-A544 PolarHBondContact O-N 3.24Å; Q541-A544 PolarHBondContact O-N 3.26Å; A544-L547 PolarHBondContact O-N 3.41Å; A544-S548 WeakPolarHBondContact O-CB 3.18Å; A544-S548 PolarHBondContact O-N 3.09Å
545	Y	94.1	Very high	93.6	Very high	151 Å²	151	104.7 Å²	104.7	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-66	-43.3	175.6	-177.7	-115.5	0	0	0	112	Q541 E543 L547 S548 L549	Q541-Y545 VanDerWaalsContact O-CB 3.22Å; Q541-Y545 WeakPolarHBondContact O-CB 3.29Å; Q541-Y545 PolarHBondContact O-N 3.31Å; E543-Y545 VanDerWaalsContact C-N 3.32Å; E543-Y545 PolarHBondContact O-N 3.21Å; Y545-L547 PolarHBondContact O-N 3.1Å; Y545-S548 PolarHBondContact O-N 2.66Å; Y545-L549 HydrophobicContact CD1-CD1 3.94Å; Y545-L549 HydrophobicContact CE1-CD1 3.44Å; Y545-L549 VanDerWaalsContact CE1-CD1 3.44Å; Y545-L549 HydrophobicContact CE1-CG 4.19Å; Y545-L549 HydrophobicContact CE2-CD1 4.34Å; Y545-L549 HydrophobicContact CE2-CG 4.2Å; Y545-L549 PolarHBondContact O-N 3.2Å
546	R	93.6	Very high	93.7	Very high	132 Å²	132	105.2 Å²	105.2	50%	0.498	50%	0.502	S	S	.	.	H	α-helix	trans	-58.3	-47	173	-179.6	177.8	64.5	-155.2	-5.1	112	D542 E543 S548 L549 E550	D542-R546 WeakPolarHBondContact O-CB 3.41Å; D542-R546 PolarHBondContact O-N 2.84Å; E543-R546 PolarHBondContact O-N 2.65Å; E543-R546 IonicContact OE1-CZ 2.82Å; E543-R546 IonicContact OE1-NH2 3.98Å; E543-R546 PolarHBondContact OE1-NH2 2.89Å; R546-S548 VanDerWaalsContact C-N 3.34Å; R546-S548 PolarHBondContact O-N 2.89Å; R546-L549 PolarHBondContact O-N 2.92Å; R546-E550 PolarHBondContact O-N 2.89Å
547	L	95.1	Very high	93.6	Very high	112 Å²	112	104.6 Å²	104.6	59%	0.586	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-38.8	177.2	-71.3	170.3	0	0	0	112.2	E543 A544 Y545 E550 A551	E543-L547 WeakPolarHBondContact O-CG 3.45Å; E543-L547 PolarHBondContact O-N 3.38Å; A544-L547 PolarHBondContact O-N 3.41Å; Y545-L547 PolarHBondContact O-N 3.1Å; L547-E550 PolarHBondContact O-N 2.94Å; L547-A551 WeakPolarHBondContact O-CB 3.31Å; L547-A551 PolarHBondContact O-N 2.69Å
548	S	94.5	Very high	93.6	Very high	75 Å²	75	102.7 Å²	102.7	52%	0.524	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-46.1	175.5	-170.1	0	0	0	0	112.2	A544 Y545 R546 E550 A551 D552	A544-S548 WeakPolarHBondContact O-CB 3.18Å; A544-S548 PolarHBondContact O-N 3.09Å; Y545-S548 PolarHBondContact O-N 2.66Å; R546-S548 VanDerWaalsContact C-N 3.34Å; R546-S548 PolarHBondContact O-N 2.89Å; S548-E550 VanDerWaalsContact C-N 3.34Å; S548-E550 PolarHBondContact O-N 3.12Å; S548-A551 PolarHBondContact O-N 2.74Å; S548-D552 PolarHBondContact O-N 3.04Å
549	L	95.2	Very high	93.5	Very high	85 Å²	85	100.7 Å²	100.7	45%	0.445	48%	0.482	S	S	.	.	H	α-helix	trans	-60.6	-40.2	174.6	-80.3	174.8	0	0	0	112.7	Y545 R546 R553	Y545-L549 HydrophobicContact CD1-CD1 3.94Å; Y545-L549 HydrophobicContact CE1-CD1 3.44Å; Y545-L549 VanDerWaalsContact CE1-CD1 3.44Å; Y545-L549 HydrophobicContact CE1-CG 4.19Å; Y545-L549 HydrophobicContact CE2-CD1 4.34Å; Y545-L549 HydrophobicContact CE2-CG 4.2Å; Y545-L549 PolarHBondContact O-N 3.2Å; R546-L549 PolarHBondContact O-N 2.92Å; L549-R553 VanDerWaalsContact O-CB 3.28Å; L549-R553 WeakPolarHBondContact O-CB 3.22Å; L549-R553 PolarHBondContact O-N 3.5Å
550	E	92.5	Very high	93.4	Very high	82 Å²	82	101.1 Å²	101.1	38%	0.383	49%	0.489	S	S	.	.	H	α-helix	trans	-65.9	-39.5	174.1	-81.9	-167.6	-134	0	0	112.5	R546 L547 S548 K554	R546-E550 PolarHBondContact O-N 2.89Å; L547-E550 PolarHBondContact O-N 2.94Å; S548-E550 VanDerWaalsContact C-N 3.34Å; S548-E550 PolarHBondContact O-N 3.12Å; E550-K554 WeakPolarHBondContact O-CB 3.2Å; E550-K554 WeakPolarHBondContact O-CD 3.43Å; E550-K554 WeakPolarHBondContact O-CG 3.12Å; E550-K554 PolarHBondContact O-N 2.84Å; E550-K554 IonicContact OE2-NZ 2.75Å; E550-K554 PolarHBondContact OE2-NZ 3.44Å
551	A	93.8	Very high	93.2	Very high	59 Å²	59	102 Å²	102	49%	0.488	49%	0.488	S	S	.	.	H	α-helix	trans	-67.7	-45.4	178.1	0	0	0	0	0	112	L547 S548 K554 K555	L547-A551 WeakPolarHBondContact O-CB 3.31Å; L547-A551 PolarHBondContact O-N 2.69Å; S548-A551 PolarHBondContact O-N 2.74Å; A551-K554 PolarHBondContact O-N 2.68Å; A551-K555 VanDerWaalsContact O-CB 3.32Å; A551-K555 WeakPolarHBondContact O-CB 3.39Å; A551-K555 PolarHBondContact O-N 3.17Å
552	D	93.3	Very high	93.1	Very high	73 Å²	73	101.8 Å²	101.8	39%	0.39	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-43.6	175	175.6	73.5	0	0	0	111.7	S548 K555 R556	S548-D552 PolarHBondContact O-N 3.04Å; D552-K555 PolarHBondContact O-N 2.88Å; D552-R556 WeakPolarHBondContact O-CB 3.42Å; D552-R556 PolarHBondContact O-N 2.95Å; D552-R556 IonicContact OD1-NH2 2.76Å; D552-R556 PolarHBondContact OD1-NH2 3.36Å; D552-R556 IonicContact OD2-CZ 3.14Å; D552-R556 IonicContact OD2-NH1 3.88Å; D552-R556 PolarHBondContact OD2-NH1 2.86Å; D552-R556 IonicContact OD2-NH2 2.69Å; D552-R556 PolarHBondContact OD2-NH2 3.31Å
553	R	92.5	Very high	92.9	Very high	161 Å²	161	103.2 Å²	103.2	61%	0.608	49%	0.49	S	S	*	.	H	α-helix	trans	-59.5	-53.2	174.1	-175.9	-174	-61.2	-145.2	0.7	111.6	L549 K555 R556 E557	L549-R553 VanDerWaalsContact O-CB 3.28Å; L549-R553 WeakPolarHBondContact O-CB 3.22Å; L549-R553 PolarHBondContact O-N 3.5Å; R553-K555 PolarHBondContact O-N 2.96Å; R553-R556 PolarHBondContact O-N 3.23Å; R553-R556 VanDerWaalsContact O-N 3.16Å; R553-E557 VanDerWaalsContact CD-OE1 3.26Å; R553-E557 WeakPolarHBondContact CD-OE1 3.47Å; R553-E557 HydrophobicContact CG-CG 4.26Å; R553-E557 WeakPolarHBondContact CG-OE1 3.43Å; R553-E557 WeakPolarHBondContact O-CB 3.17Å; R553-E557 WeakPolarHBondContact O-CG 3.29Å; R553-E557 PolarHBondContact O-N 3.38Å
554	K	94.3	Very high	92.8	Very high	113 Å²	113	101.5 Å²	101.5	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-34.2	-179.6	-72.7	163.2	-168.4	163.4	0	111.8	E550 A551 A558	E550-K554 WeakPolarHBondContact O-CB 3.2Å; E550-K554 WeakPolarHBondContact O-CD 3.43Å; E550-K554 WeakPolarHBondContact O-CG 3.12Å; E550-K554 PolarHBondContact O-N 2.84Å; E550-K554 IonicContact OE2-NZ 2.75Å; E550-K554 PolarHBondContact OE2-NZ 3.44Å; A551-K554 PolarHBondContact O-N 2.68Å; K554-A558 WeakPolarHBondContact O-CB 3.5Å; K554-A558 PolarHBondContact O-N 3.47Å; K554-A558 VanDerWaalsContact O-N 3.1Å
555	K	93.8	Very high	92.6	Very high	131 Å²	131	105.5 Å²	105.5	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-68.1	-48.9	173.8	-173.1	-176.2	174.8	-172.7	0	111.8	A551 D552 R553 E557 A558 Q559	A551-K555 VanDerWaalsContact O-CB 3.32Å; A551-K555 WeakPolarHBondContact O-CB 3.39Å; A551-K555 PolarHBondContact O-N 3.17Å; D552-K555 PolarHBondContact O-N 2.88Å; R553-K555 PolarHBondContact O-N 2.96Å; K555-E557 PolarHBondContact O-N 3.37Å; K555-A558 WeakPolarHBondContact O-CB 3.27Å; K555-A558 PolarHBondContact O-N 3.33Å; K555-A558 VanDerWaalsContact O-N 3.14Å; K555-Q559 WeakPolarHBondContact O-CG 3.37Å; K555-Q559 PolarHBondContact O-N 3.48Å
556	R	91.3	Very high	92.3	Very high	133 Å²	133	104.1 Å²	104.1	50%	0.502	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-47.7	177	-174.1	179.7	-63.9	95.2	10.4	111.6	D552 R553 A558 Q559 E560	D552-R556 WeakPolarHBondContact O-CB 3.42Å; D552-R556 PolarHBondContact O-N 2.95Å; D552-R556 IonicContact OD1-NH2 2.76Å; D552-R556 PolarHBondContact OD1-NH2 3.36Å; D552-R556 IonicContact OD2-CZ 3.14Å; D552-R556 IonicContact OD2-NH1 3.88Å; D552-R556 PolarHBondContact OD2-NH1 2.86Å; D552-R556 IonicContact OD2-NH2 2.69Å; D552-R556 PolarHBondContact OD2-NH2 3.31Å; R553-R556 PolarHBondContact O-N 3.23Å; R553-R556 VanDerWaalsContact O-N 3.16Å; R556-A558 PolarHBondContact O-N 2.97Å; R556-Q559 PolarHBondContact O-N 3.41Å; R556-E560 WeakPolarHBondContact O-CB 3.44Å; R556-E560 PolarHBondContact O-N 3.12Å
557	E	92.8	Very high	92.2	Very high	81 Å²	81	101.5 Å²	101.5	38%	0.379	50%	0.498	S	S	.	.	H	α-helix	trans	-62.2	-27.6	176.3	-71.1	173.9	-170.8	0	0	113	R553 K555 R561	R553-E557 VanDerWaalsContact CD-OE1 3.26Å; R553-E557 WeakPolarHBondContact CD-OE1 3.47Å; R553-E557 HydrophobicContact CG-CG 4.26Å; R553-E557 WeakPolarHBondContact CG-OE1 3.43Å; R553-E557 WeakPolarHBondContact O-CB 3.17Å; R553-E557 WeakPolarHBondContact O-CG 3.29Å; R553-E557 PolarHBondContact O-N 3.38Å; K555-E557 PolarHBondContact O-N 3.37Å; E557-R561 WeakPolarHBondContact O-CG 3.47Å; E557-R561 VanDerWaalsContact O-CZ 3.29Å; E557-R561 PolarHBondContact O-N 3.36Å; E557-R561 PolarHBondContact O-NE 2.94Å; E557-R561 PolarHBondContact O-NH2 2.96Å
558	A	93.3	Very high	91.9	Very high	31 Å²	31	104.3 Å²	104.3	26%	0.256	50%	0.501	S	S	.	.	H	α-helix	trans	-77.9	-46.3	174.7	0	0	0	0	0	111.4	K554 K555 R556 E560 R561 E562	K554-A558 WeakPolarHBondContact O-CB 3.5Å; K554-A558 PolarHBondContact O-N 3.47Å; K554-A558 VanDerWaalsContact O-N 3.1Å; K555-A558 WeakPolarHBondContact O-CB 3.27Å; K555-A558 PolarHBondContact O-N 3.33Å; K555-A558 VanDerWaalsContact O-N 3.14Å; R556-A558 PolarHBondContact O-N 2.97Å; A558-E560 PolarHBondContact O-N 2.95Å; A558-R561 WeakPolarHBondContact O-CB 3.33Å; A558-R561 PolarHBondContact O-N 3.5Å; A558-R561 VanDerWaalsContact O-N 3.14Å; A558-E562 WeakPolarHBondContact O-CG 3.44Å; A558-E562 PolarHBondContact O-N 3.29Å
559	Q	91.4	Very high	91.6	Very high	88 Å²	88	106.3 Å²	106.3	41%	0.411	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-43.7	176.5	-67.4	-175.7	-93.3	0	0	111.6	K555 R556 R561 E562 E563	K555-Q559 WeakPolarHBondContact O-CG 3.37Å; K555-Q559 PolarHBondContact O-N 3.48Å; R556-Q559 PolarHBondContact O-N 3.41Å; Q559-R561 VanDerWaalsContact C-N 3.26Å; Q559-R561 PolarHBondContact O-N 3.47Å; Q559-E562 PolarHBondContact O-N 2.9Å; Q559-E563 WeakPolarHBondContact O-CB 3.36Å; Q559-E563 WeakPolarHBondContact O-CG 3.34Å; Q559-E563 PolarHBondContact O-N 3.12Å
560	E	91.3	Very high	91.2	Very high	131 Å²	131	109 Å²	109	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-61.1	-33.6	175.5	-173.8	176.1	-175.2	0	0	112.4	R556 A558 A564	R556-E560 WeakPolarHBondContact O-CB 3.44Å; R556-E560 PolarHBondContact O-N 3.12Å; A558-E560 PolarHBondContact O-N 2.95Å; E560-A564 WeakPolarHBondContact O-CB 3.45Å; E560-A564 PolarHBondContact O-N 2.76Å
561	R	89.9	Confident	90.9	Very high	141 Å²	141	110.3 Å²	110.3	53%	0.532	52%	0.521	S	S	.	.	H	α-helix	trans	-72.8	-43.8	172.9	-85.3	176.3	-81.1	143.1	-8.6	112.6	E557 A558 Q559 E563 A564 E565	E557-R561 WeakPolarHBondContact O-CG 3.47Å; E557-R561 VanDerWaalsContact O-CZ 3.29Å; E557-R561 PolarHBondContact O-N 3.36Å; E557-R561 PolarHBondContact O-NE 2.94Å; E557-R561 PolarHBondContact O-NH2 2.96Å; A558-R561 WeakPolarHBondContact O-CB 3.33Å; A558-R561 PolarHBondContact O-N 3.5Å; A558-R561 VanDerWaalsContact O-N 3.14Å; Q559-R561 VanDerWaalsContact C-N 3.26Å; Q559-R561 PolarHBondContact O-N 3.47Å; R561-E563 VanDerWaalsContact C-N 3.33Å; R561-E563 PolarHBondContact O-N 2.96Å; R561-A564 PolarHBondContact O-N 3.37Å; R561-E565 WeakPolarHBondContact O-CB 3.33Å; R561-E565 WeakPolarHBondContact O-CG 3.34Å; R561-E565 PolarHBondContact O-N 3.15Å
562	E	90.6	Very high	90.5	Very high	117 Å²	117	111.6 Å²	111.6	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-37.8	176.4	-72.5	172.1	-164.3	0	0	111.8	A558 Q559 Q566	A558-E562 WeakPolarHBondContact O-CG 3.44Å; A558-E562 PolarHBondContact O-N 3.29Å; Q559-E562 PolarHBondContact O-N 2.9Å; E562-Q566 WeakPolarHBondContact O-CB 3.48Å; E562-Q566 VanDerWaalsContact O-CG 3.3Å; E562-Q566 WeakPolarHBondContact O-CG 3.42Å; E562-Q566 PolarHBondContact O-N 2.97Å; E562-Q566 VanDerWaalsContact O-N 3.08Å; E562-Q566 PolarHBondContact O-NE2 2.91Å
563	E	89.3	Confident	90	Very high	119 Å²	119	116.4 Å²	116.4	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-69.5	-44	173.9	-73.1	173.3	-161.4	0	0	111.4	Q559 R561 E565 Q566 V567	Q559-E563 WeakPolarHBondContact O-CB 3.36Å; Q559-E563 WeakPolarHBondContact O-CG 3.34Å; Q559-E563 PolarHBondContact O-N 3.12Å; R561-E563 VanDerWaalsContact C-N 3.33Å; R561-E563 PolarHBondContact O-N 2.96Å; E563-E565 PolarHBondContact O-N 2.9Å; E563-Q566 PolarHBondContact O-N 2.81Å; E563-V567 WeakPolarHBondContact O-CG2 3.48Å; E563-V567 PolarHBondContact O-N 3.44Å
564	A	91.9	Very high	89.7	Confident	58 Å²	58	114.4 Å²	114.4	48%	0.479	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-36.9	176.3	0	0	0	0	0	113	E560 R561 R568	E560-A564 WeakPolarHBondContact O-CB 3.45Å; E560-A564 PolarHBondContact O-N 2.76Å; R561-A564 PolarHBondContact O-N 3.37Å; A564-R568 VanDerWaalsContact O-CB 3.24Å; A564-R568 WeakPolarHBondContact O-CB 3.41Å; A564-R568 PolarHBondContact O-N 2.91Å
565	E	90.1	Very high	89.3	Confident	143 Å²	143	114.9 Å²	114.9	67%	0.668	53%	0.531	S	S	*	.	H	α-helix	trans	-68.3	-39.3	173.6	-75.5	-175	-178.6	0	0	112	R561 E563 R568 L569	R561-E565 WeakPolarHBondContact O-CB 3.33Å; R561-E565 WeakPolarHBondContact O-CG 3.34Å; R561-E565 PolarHBondContact O-N 3.15Å; E563-E565 PolarHBondContact O-N 2.9Å; E565-R568 PolarHBondContact O-N 2.98Å; E565-L569 WeakPolarHBondContact O-CB 3.18Å; E565-L569 PolarHBondContact O-N 2.93Å
566	Q	87.9	Confident	88.5	Confident	122 Å²	122	114.2 Å²	114.2	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-51.4	173.3	-78.9	170	75.9	0	0	112.1	E562 E563 R568 L569 E570	E562-Q566 WeakPolarHBondContact O-CB 3.48Å; E562-Q566 VanDerWaalsContact O-CG 3.3Å; E562-Q566 WeakPolarHBondContact O-CG 3.42Å; E562-Q566 PolarHBondContact O-N 2.97Å; E562-Q566 VanDerWaalsContact O-N 3.08Å; E562-Q566 PolarHBondContact O-NE2 2.91Å; E563-Q566 PolarHBondContact O-N 2.81Å; Q566-R568 VanDerWaalsContact C-N 3.27Å; Q566-R568 PolarHBondContact O-N 3.38Å; Q566-L569 PolarHBondContact O-N 2.91Å; Q566-E570 PolarHBondContact O-N 2.97Å
567	V	91.2	Very high	88	Confident	77 Å²	77	113.1 Å²	113.1	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-58.5	-40.4	178	170.1	0	0	0	0	111.2	E563 E570 Q571	E563-V567 WeakPolarHBondContact O-CG2 3.48Å; E563-V567 PolarHBondContact O-N 3.44Å; V567-E570 PolarHBondContact O-N 3.32Å; V567-Q571 WeakPolarHBondContact O-CB 3.4Å; V567-Q571 VanDerWaalsContact O-CG 3.3Å; V567-Q571 WeakPolarHBondContact O-CG 3.37Å; V567-Q571 PolarHBondContact O-N 2.99Å
568	R	88.3	Confident	87.6	Confident	171 Å²	171	114.4 Å²	114.4	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-65.8	-37.3	176.1	-174.5	178.6	-179.3	-171.8	0.6	112.6	A564 E565 Q566 M572	A564-R568 VanDerWaalsContact O-CB 3.24Å; A564-R568 WeakPolarHBondContact O-CB 3.41Å; A564-R568 PolarHBondContact O-N 2.91Å; E565-R568 PolarHBondContact O-N 2.98Å; Q566-R568 VanDerWaalsContact C-N 3.27Å; Q566-R568 PolarHBondContact O-N 3.38Å; R568-M572 WeakPolarHBondContact O-CG 3.21Å; R568-M572 PolarHBondContact O-N 2.81Å; R568-M572 VanDerWaalsContact O-N 3.09Å
569	L	88.2	Confident	86.9	Confident	116 Å²	116	119 Å²	119	61%	0.607	55%	0.552	S	S	*	*	H	α-helix	trans	-71.2	-38.8	177	-171.6	63.4	0	0	0	111.7	E565 Q566 M572 R573	E565-L569 WeakPolarHBondContact O-CB 3.18Å; E565-L569 PolarHBondContact O-N 2.93Å; Q566-L569 PolarHBondContact O-N 2.91Å; L569-M572 HydrophobicContact CD1-CE 3.99Å; L569-R573 WeakPolarHBondContact O-CB 3.23Å; L569-R573 PolarHBondContact O-N 3.46Å
570	E	87.9	Confident	86.1	Confident	142 Å²	142	121.3 Å²	121.3	66%	0.664	56%	0.561	S	S	*	*	H	α-helix	trans	-65.7	-39.3	172.6	-70.4	-165.7	151.8	0	0	112.2	Q566 V567 R573 K574	Q566-E570 PolarHBondContact O-N 2.97Å; V567-E570 PolarHBondContact O-N 3.32Å; E570-R573 PolarHBondContact O-N 2.95Å; E570-K574 WeakPolarHBondContact O-CB 3.41Å; E570-K574 PolarHBondContact O-N 3.05Å
571	Q	85.9	Confident	85.5	Confident	109 Å²	109	119.3 Å²	119.3	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-59	-53.5	172.6	-79.1	174.5	-13.3	0	0	111.5	V567 R573 K574 E575	V567-Q571 WeakPolarHBondContact O-CB 3.4Å; V567-Q571 VanDerWaalsContact O-CG 3.3Å; V567-Q571 WeakPolarHBondContact O-CG 3.37Å; V567-Q571 PolarHBondContact O-N 2.99Å; Q571-R573 VanDerWaalsContact C-N 3.26Å; Q571-R573 PolarHBondContact O-N 3.41Å; Q571-K574 PolarHBondContact O-N 2.75Å; Q571-K574 VanDerWaalsContact O-N 3.08Å; Q571-E575 WeakPolarHBondContact O-CG 3.43Å; Q571-E575 PolarHBondContact O-N 3.15Å
572	M	84.4	Confident	85	Confident	86 Å²	86	115.3 Å²	115.3	42%	0.424	55%	0.549	S	S	.	.	H	α-helix	trans	-60.3	-35.5	178.1	-69.4	-170.7	-53	0	0	112.6	R568 L569 Q576	R568-M572 WeakPolarHBondContact O-CG 3.21Å; R568-M572 PolarHBondContact O-N 2.81Å; R568-M572 VanDerWaalsContact O-N 3.09Å; L569-M572 HydrophobicContact CD1-CE 3.99Å; M572-Q576 VanDerWaalsContact O-CG 3.3Å; M572-Q576 WeakPolarHBondContact O-CG 3.22Å; M572-Q576 PolarHBondContact O-N 3.38Å; M572-Q576 VanDerWaalsContact O-N 3.16Å
573	R	84.5	Confident	84.3	Confident	175 Å²	175	113.9 Å²	113.9	66%	0.66	54%	0.544	S	S	*	.	H	α-helix	trans	-65.5	-44.9	174	178	-178.3	163.7	-172.9	-5.4	111.6	L569 E570 Q571 Q576 E577	L569-R573 WeakPolarHBondContact O-CB 3.23Å; L569-R573 PolarHBondContact O-N 3.46Å; E570-R573 PolarHBondContact O-N 2.95Å; Q571-R573 VanDerWaalsContact C-N 3.26Å; Q571-R573 PolarHBondContact O-N 3.41Å; R573-Q576 PolarHBondContact O-N 3.36Å; R573-E577 PolarHBondContact O-N 3.29Å
574	K	86.5	Confident	83.5	Confident	119 Å²	119	112.5 Å²	112.5	52%	0.517	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-38.7	-179.4	-174.9	172	176.6	-67.6	0	111.9	E570 Q571 E577 E578	E570-K574 WeakPolarHBondContact O-CB 3.41Å; E570-K574 PolarHBondContact O-N 3.05Å; Q571-K574 PolarHBondContact O-N 2.75Å; Q571-K574 VanDerWaalsContact O-N 3.08Å; K574-E577 PolarHBondContact O-N 3.47Å; K574-E578 IonicContact NZ-OE1 2.66Å; K574-E578 PolarHBondContact NZ-OE1 2.86Å; K574-E578 IonicContact NZ-OE2 3.22Å; K574-E578 WeakPolarHBondContact O-CB 3.42Å; K574-E578 WeakPolarHBondContact O-CG 3.35Å; K574-E578 PolarHBondContact O-N 2.88Å
575	E	84.1	Confident	82.7	Confident	123 Å²	123	113.5 Å²	113.5	58%	0.575	53%	0.531	S	S	*	.	H	α-helix	trans	-59.9	-44.1	172.6	-72.4	171	171.9	0	0	111.4	Q571 E577 E578 E579	Q571-E575 WeakPolarHBondContact O-CG 3.43Å; Q571-E575 PolarHBondContact O-N 3.15Å; E575-E577 VanDerWaalsContact C-N 3.31Å; E575-E577 PolarHBondContact O-N 3.27Å; E575-E578 PolarHBondContact O-N 2.91Å; E575-E579 WeakPolarHBondContact O-CB 3.48Å; E575-E579 PolarHBondContact O-N 3.41Å
576	Q	78.2	Confident	81.9	Confident	117 Å²	117	109.8 Å²	109.8	55%	0.547	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-29.5	174.7	-72.5	174.4	15.7	0	0	113.6	M572 R573 K580	M572-Q576 VanDerWaalsContact O-CG 3.3Å; M572-Q576 WeakPolarHBondContact O-CG 3.22Å; M572-Q576 PolarHBondContact O-N 3.38Å; M572-Q576 VanDerWaalsContact O-N 3.16Å; R573-Q576 PolarHBondContact O-N 3.36Å; Q576-K580 VanDerWaalsContact O-CG 3.27Å; Q576-K580 WeakPolarHBondContact O-CG 3.38Å; Q576-K580 PolarHBondContact O-N 3.48Å
577	E	80.6	Confident	81	Confident	110 Å²	110	105.9 Å²	105.9	51%	0.514	50%	0.503	S	S	.	.	H	α-helix	trans	-76.5	-42.6	177.2	-163.6	157.8	-174.8	0	0	110.7	R573 K574 E575 K580 E581	R573-E577 PolarHBondContact O-N 3.29Å; K574-E577 PolarHBondContact O-N 3.47Å; E575-E577 VanDerWaalsContact C-N 3.31Å; E575-E577 PolarHBondContact O-N 3.27Å; E577-K580 PolarHBondContact O-N 3.45Å; E577-E581 WeakPolarHBondContact O-CG 3.49Å; E577-E581 PolarHBondContact O-N 2.87Å
578	E	83.8	Confident	80	Confident	108 Å²	108	105.7 Å²	105.7	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-66	-38.9	173.6	-73.4	179.9	177.1	0	0	112.9	K574 E575 E581 A582	K574-E578 IonicContact NZ-OE1 2.66Å; K574-E578 PolarHBondContact NZ-OE1 2.86Å; K574-E578 IonicContact NZ-OE2 3.22Å; K574-E578 WeakPolarHBondContact O-CB 3.42Å; K574-E578 WeakPolarHBondContact O-CG 3.35Å; K574-E578 PolarHBondContact O-N 2.88Å; E575-E578 PolarHBondContact O-N 2.91Å; E578-E581 PolarHBondContact O-N 3.23Å; E578-A582 VanDerWaalsContact O-CB 3.28Å; E578-A582 WeakPolarHBondContact O-CB 3.43Å; E578-A582 PolarHBondContact O-N 3.4Å
579	E	79.4	Confident	79	Confident	126 Å²	126	105.3 Å²	105.3	59%	0.589	50%	0.503	S	S	*	.	H	α-helix	trans	-60.8	-44.8	173.7	-176.9	173.9	-142.5	0	0	111.1	E575 A582 I583	E575-E579 WeakPolarHBondContact O-CB 3.48Å; E575-E579 PolarHBondContact O-N 3.41Å; E579-A582 PolarHBondContact O-N 2.91Å; E579-I583 HydrophobicContact CG-CD1 4.03Å; E579-I583 VanDerWaalsContact O-CG1 3.26Å; E579-I583 WeakPolarHBondContact O-CG1 3.47Å; E579-I583 PolarHBondContact O-N 3.49Å
580	K	74.9	Confident	78	Confident	137 Å²	137	103.1 Å²	103.1	60%	0.596	50%	0.502	S	S	*	.	H	α-helix	trans	-65.2	-40.9	176.6	-75	177.8	179.6	-165.7	0	112.8	Q576 E577 R584	Q576-K580 VanDerWaalsContact O-CG 3.27Å; Q576-K580 WeakPolarHBondContact O-CG 3.38Å; Q576-K580 PolarHBondContact O-N 3.48Å; E577-K580 PolarHBondContact O-N 3.45Å; K580-R584 PolarHBondContact O-N 3.33Å
581	E	78.5	Confident	77.2	Confident	89 Å²	89	97.3 Å²	97.3	42%	0.416	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-40.9	175	-70.2	-118.4	115	0	0	111.9	E577 E578 R584 L585	E577-E581 WeakPolarHBondContact O-CG 3.49Å; E577-E581 PolarHBondContact O-N 2.87Å; E578-E581 PolarHBondContact O-N 3.23Å; E581-R584 PolarHBondContact O-N 2.87Å; E581-R584 IonicContact OE1-CZ 2.67Å; E581-R584 IonicContact OE1-NH1 2.71Å; E581-R584 PolarHBondContact OE1-NH1 3.15Å; E581-R584 IonicContact OE1-NH2 2.74Å; E581-R584 PolarHBondContact OE1-NH2 3.14Å; E581-R584 IonicContact OE2-NH2 2.73Å; E581-L585 WeakPolarHBondContact O-CB 3.48Å; E581-L585 WeakPolarHBondContact O-CG 3.43Å; E581-L585 PolarHBondContact O-N 3.27Å
582	A	78.8	Confident	76.4	Confident	57 Å²	57	95 Å²	95	47%	0.471	47%	0.469	S	S	.	.	H	α-helix	trans	-63.7	-42.5	176.1	0	0	0	0	0	112.1	E578 E579 L585 S586	E578-A582 VanDerWaalsContact O-CB 3.28Å; E578-A582 WeakPolarHBondContact O-CB 3.43Å; E578-A582 PolarHBondContact O-N 3.4Å; E579-A582 PolarHBondContact O-N 2.91Å; A582-L585 PolarHBondContact O-N 3.22Å; A582-S586 WeakPolarHBondContact O-CB 3.48Å; A582-S586 PolarHBondContact O-N 3.03Å; A582-S586 PolarHBondContact O-OG 2.8Å
583	I	75.1	Confident	75.3	Confident	88 Å²	88	96.7 Å²	96.7	45%	0.451	49%	0.487	S	S	.	.	H	α-helix	trans	-58.9	-50.8	172.3	-70.2	164.4	0	0	0	110	E579 L585 S586 L587	E579-I583 HydrophobicContact CG-CD1 4.03Å; E579-I583 VanDerWaalsContact O-CG1 3.26Å; E579-I583 WeakPolarHBondContact O-CG1 3.47Å; E579-I583 PolarHBondContact O-N 3.49Å; I583-L585 VanDerWaalsContact C-N 3.34Å; I583-L585 PolarHBondContact O-N 3.19Å; I583-S586 PolarHBondContact O-N 2.79Å; I583-S586 PolarHBondContact O-OG 2.93Å; I583-L587 HydrophobicContact CG2-CD1 4.02Å; I583-L587 WeakPolarHBondContact O-CG 3.32Å; I583-L587 PolarHBondContact O-N 2.95Å
584	R	74.1	Confident	74.5	Confident	89 Å²	89	92 Å²	92	34%	0.336	47%	0.472	S	S	.	.	H	α-helix	trans	-56.2	-46.2	178.2	-168	-176	71.8	-135.6	-8.2	112.2	K580 E581 L587 E588 S635	K580-R584 PolarHBondContact O-N 3.33Å; E581-R584 PolarHBondContact O-N 2.87Å; E581-R584 IonicContact OE1-CZ 2.67Å; E581-R584 IonicContact OE1-NH1 2.71Å; E581-R584 PolarHBondContact OE1-NH1 3.15Å; E581-R584 IonicContact OE1-NH2 2.74Å; E581-R584 PolarHBondContact OE1-NH2 3.14Å; E581-R584 IonicContact OE2-NH2 2.73Å; R584-L587 PolarHBondContact O-N 3.02Å; R584-E588 PolarHBondContact O-N 2.91Å; R584-S635 WeakPolarHBondContact CD-O 3.08Å; R584-S635 WeakPolarHBondContact CG-O 3.35Å
585	L	75.1	Confident	73.4	Confident	79 Å²	79	87.1 Å²	87.1	41%	0.414	45%	0.453	S	S	.	.	H	α-helix	trans	-66.5	-40.2	179.3	-76.2	166.7	0	0	0	112.6	E581 A582 I583 L587 E588 Q589	E581-L585 WeakPolarHBondContact O-CB 3.48Å; E581-L585 WeakPolarHBondContact O-CG 3.43Å; E581-L585 PolarHBondContact O-N 3.27Å; A582-L585 PolarHBondContact O-N 3.22Å; I583-L585 VanDerWaalsContact C-N 3.34Å; I583-L585 PolarHBondContact O-N 3.19Å; L585-L587 VanDerWaalsContact C-N 3.32Å; L585-L587 PolarHBondContact O-N 2.66Å; L585-E588 PolarHBondContact O-N 3.16Å; L585-Q589 WeakPolarHBondContact O-CG 3.45Å; L585-Q589 PolarHBondContact O-N 3.01Å
586	S	72.1	Confident	72.1	Confident	65 Å²	65	86.8 Å²	86.8	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-63.3	-38.9	175.5	72.4	0	0	0	0	112.1	A582 I583 Q589 A590	A582-S586 WeakPolarHBondContact O-CB 3.48Å; A582-S586 PolarHBondContact O-N 3.03Å; A582-S586 PolarHBondContact O-OG 2.8Å; I583-S586 PolarHBondContact O-N 2.79Å; I583-S586 PolarHBondContact O-OG 2.93Å; S586-Q589 PolarHBondContact O-N 3.32Å; S586-A590 WeakPolarHBondContact O-CB 3.5Å; S586-A590 PolarHBondContact O-N 3.05Å
587	L	69.4	Low	71	Confident	40 Å²	40	88.5 Å²	88.5	21%	0.209	46%	0.463	C	S	.	.	H	α-helix	trans	-67.9	-38.8	174	-68.8	170.5	0	0	0	111.6	I583 R584 L585 Q589 A590 L591 D631 A634	I583-L587 HydrophobicContact CG2-CD1 4.02Å; I583-L587 WeakPolarHBondContact O-CG 3.32Å; I583-L587 PolarHBondContact O-N 2.95Å; R584-L587 PolarHBondContact O-N 3.02Å; L585-L587 VanDerWaalsContact C-N 3.32Å; L585-L587 PolarHBondContact O-N 2.66Å; L587-Q589 VanDerWaalsContact C-N 3.31Å; L587-Q589 PolarHBondContact O-N 3.39Å; L587-A590 PolarHBondContact O-N 3.17Å; L587-L591 VanDerWaalsContact O-CD1 3.31Å; L587-L591 WeakPolarHBondContact O-CD1 3.36Å; L587-L591 VanDerWaalsContact O-CG 3.25Å; L587-L591 WeakPolarHBondContact O-CG 3.38Å; L587-D631 HydrophobicContact CD2-CB 4.3Å; L587-A634 HydrophobicContact CD1-CB 3.83Å
588	E	69.7	Low	69.5	Low	73 Å²	73	92.5 Å²	92.5	34%	0.341	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-37.4	173	-75.2	-155.5	127.2	0	0	112.9	R584 L585 S635 K636	R584-E588 PolarHBondContact O-N 2.91Å; L585-E588 PolarHBondContact O-N 3.16Å; E588-S635 VanDerWaalsContact CG-CB 3.41Å; E588-S635 WeakPolarHBondContact CG-OG 3.27Å; E588-K636 IonicContact OE1-NZ 3.76Å; E588-K636 PolarHBondContact OE1-NZ 3.12Å
589	Q	67.5	Low	68.1	Low	163 Å²	163	89.6 Å²	89.6	76%	0.762	47%	0.474	S	S	*	.	H	α-helix	trans	-78.5	-26.5	179.1	-68.8	176.8	17.6	0	0	113.9	L585 S586 L587 L591	L585-Q589 WeakPolarHBondContact O-CG 3.45Å; L585-Q589 PolarHBondContact O-N 3.01Å; S586-Q589 PolarHBondContact O-N 3.32Å; L587-Q589 VanDerWaalsContact C-N 3.31Å; L587-Q589 PolarHBondContact O-N 3.39Å; Q589-L591 VanDerWaalsContact C-N 3.27Å; Q589-L591 PolarHBondContact O-N 3.47Å
590	A	66.6	Low	66.9	Low	70 Å²	70	87.9 Å²	87.9	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-76.3	-11.3	179.1	0	0	0	0	0	114	S586 L587	S586-A590 WeakPolarHBondContact O-CB 3.5Å; S586-A590 PolarHBondContact O-N 3.05Å; L587-A590 PolarHBondContact O-N 3.17Å
591	L	71.2	Confident	66.3	Low	21 Å²	21	87.1 Å²	87.1	11%	0.11	49%	0.488	C	S	.	.	S	Bend	trans	-80	128.5	-173.1	-75.4	161.8	0	0	0	112.7	L587 Q589 V628 D631 F632	L587-L591 VanDerWaalsContact O-CD1 3.31Å; L587-L591 WeakPolarHBondContact O-CD1 3.36Å; L587-L591 VanDerWaalsContact O-CG 3.25Å; L587-L591 WeakPolarHBondContact O-CG 3.38Å; Q589-L591 VanDerWaalsContact C-N 3.27Å; Q589-L591 PolarHBondContact O-N 3.47Å; L591-V628 HydrophobicContact CD2-CG1 3.89Å; L591-V628 WeakPolarHBondContact CD2-O 3.27Å; L591-D631 HydrophobicContact CD2-CB 3.86Å; L591-D631 HydrophobicContact CG-CB 4.49Å; L591-F632 HydrophobicContact CD1-CB 4.06Å; L591-F632 HydrophobicContact CD1-CD2 4.28Å; L591-F632 HydrophobicContact CD2-CB 3.9Å
592	P	69.2	Low	65.9	Low	60 Å²	60	88.3 Å²	88.3	39%	0.39	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-57	144.7	176.3	-24.5	34.1	0	0	0	112.8	R618 V628	P592-R618 PolarHBondContact O-NH2 3.2Å; P592-V628 HydrophobicContact CG-CG1 4.1Å
593	P	62.9	Low	65.8	Low	122 Å²	122	87.3 Å²	87.3	79%	0.792	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-57.3	151.8	175.7	25.9	-34.9	0	0	0	111.5
594	E	65.8	Low	65.9	Low	76 Å²	76	83.1 Å²	83.1	36%	0.355	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-65.8	140.7	176.2	-68.2	-158.8	178.1	0	0	111.5	R618 R619	E594-R618 HydrophobicContact CG-CG 4.31Å; E594-R618 WeakPolarHBondContact OE1-CG 3.31Å; E594-R619 IonicContact OE2-CZ 3.87Å; E594-R619 VanDerWaalsContact OE2-CZ 3.24Å; E594-R619 IonicContact OE2-NE 2.65Å; E594-R619 PolarHBondContact OE2-NE 2.93Å; E594-R619 IonicContact OE2-NH2 2.78Å; E594-R619 PolarHBondContact OE2-NH2 3.47Å
595	P	64.3	Low	66.2	Low	17 Å²	17	82.6 Å²	82.6	11%	0.11	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-75.1	135.2	174.5	31.1	-34.4	0	0	0	111.7	I603 R619 L621	P595-I603 HydrophobicContact CB-CD1 4.29Å; P595-I603 HydrophobicContact CB-CG1 4.3Å; P595-I603 HydrophobicContact CG-CD1 4.44Å; P595-I603 HydrophobicContact CG-CG1 4.21Å; P595-I603 HydrophobicContact CG-CG2 4.17Å; P595-R619 HydrophobicContact CG-CB 4.19Å; P595-R619 VanDerWaalsContact O-CZ 3.3Å; P595-R619 PolarHBondContact O-NH1 2.83Å; P595-R619 VanDerWaalsContact O-NH1 3.1Å; P595-L621 HydrophobicContact CB-CD2 3.63Å; P595-L621 HydrophobicContact CB-CG 4.21Å; P595-L621 HydrophobicContact CG-CD2 3.96Å; P595-L621 HydrophobicContact CG-CG 4.27Å
596	D	57.3	Low	66.6	Low	115 Å²	115	78.9 Å²	78.9	62%	0.615	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-73.4	146.7	177.2	-74.6	-46.4	0	0	0	112.6	E598 S599 I603	D596-E598 PolarHBondContact O-N 3.17Å; D596-E598 VanDerWaalsContact O-N 3.17Å; D596-S599 WeakPolarHBondContact O-CB 3.37Å; D596-S599 PolarHBondContact O-N 3.28Å; D596-S599 PolarHBondContact O-OG 3.09Å; D596-I603 WeakPolarHBondContact O-CD1 3.47Å
597	E	55	Low	67	Low	153 Å²	153	80 Å²	80	72%	0.715	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.5	-168.8	-53.5	-159.4	142	0	0	114.6	R619	E597-R619 VanDerWaalsContact CG-NH1 3.27Å
598	E	49.7	Very low	67.8	Low	194 Å²	194	78.1 Å²	78.1	91%	0.907	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.6	174	-60.6	-167	146.6	0	0	113.3	D596 G600	D596-E598 PolarHBondContact O-N 3.17Å; D596-E598 VanDerWaalsContact O-N 3.17Å; E598-G600 PolarHBondContact O-N 2.79Å
599	S	53.7	Low	68.5	Low	48 Å²	48	79.6 Å²	79.6	34%	0.336	43%	0.426	S	S	.	.			trans	-68	117.1	172.2	-48.8	0	0	0	0	109.5	D596 E601	D596-S599 WeakPolarHBondContact O-CB 3.37Å; D596-S599 PolarHBondContact O-N 3.28Å; D596-S599 PolarHBondContact O-OG 3.09Å; S599-E601 PolarHBondContact O-N 3.25Å
600	G	54.2	Low	69.1	Low	90 Å²	90	72.1 Å²	72.1	93%	0.928	39%	0.392	S	S	*	.			trans	-68.8	25.6	179.4	0	0	0	0	0	115.8	E598	E598-G600 PolarHBondContact O-N 2.79Å
601	E	62.7	Low	69.6	Low	121 Å²	121	72.2 Å²	72.2	57%	0.565	39%	0.386	S	S	*	.	S	Bend	trans	-99.8	170.2	-179.7	-59.8	-164.2	176.6	0	0	111.8	S599 I603 L621	S599-E601 PolarHBondContact O-N 3.25Å; E601-I603 PolarHBondContact O-N 3.45Å; E601-L621 HydrophobicContact CB-CD2 4.17Å; E601-L621 WeakPolarHBondContact OE2-CD2 3.48Å
602	Q	68.7	Low	69.7	Low	114 Å²	114	74.9 Å²	74.9	53%	0.533	41%	0.407	S	S	.	.			trans	-80.3	81.4	-177.1	-66.4	-179.9	9.7	0	0	111	G622 L664 F669	Q602-G622 WeakPolarHBondContact O-CA 3.38Å; Q602-G622 PolarHBondContact O-N 3.03Å; Q602-L664 VanDerWaalsContact OE1-CD1 3.29Å; Q602-F669 HydrophobicContact CB-CD2 4.37Å; Q602-F669 HydrophobicContact CB-CE2 3.69Å; Q602-F669 HydrophobicContact CB-CZ 4Å; Q602-F669 HydrophobicContact CG-CE2 4.49Å; Q602-F669 HydrophobicContact CG-CZ 4.31Å
603	I	77.3	Confident	69.9	Low	36 Å²	36	73.4 Å²	73.4	19%	0.185	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.8	177.9	-57.1	173.9	0	0	0	111	P595 D596 E601 R619 L621 F669	P595-I603 HydrophobicContact CB-CD1 4.29Å; P595-I603 HydrophobicContact CB-CG1 4.3Å; P595-I603 HydrophobicContact CG-CD1 4.44Å; P595-I603 HydrophobicContact CG-CG1 4.21Å; P595-I603 HydrophobicContact CG-CG2 4.17Å; D596-I603 WeakPolarHBondContact O-CD1 3.47Å; E601-I603 PolarHBondContact O-N 3.45Å; I603-R619 HydrophobicContact CG2-CB 4.15Å; I603-R619 HydrophobicContact CG2-CG 4.44Å; I603-L621 HydrophobicContact CG1-CD2 4.49Å; I603-F669 VanDerWaalsContact O-CE2 3.22Å; I603-F669 WeakPolarHBondContact O-CE2 3.48Å
604	S	77.6	Confident	70.8	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.7	164.6	173.2	0	0	0	0	110.7	R619 F620 L668 P670	S604-R619 WeakPolarHBondContact O-CA 3.3Å; S604-F620 PolarHBondContact N-O 3.19Å; S604-F620 PolarHBondContact O-N 3.39Å; S604-L668 WeakPolarHBondContact CB-O 3.5Å; S604-L668 PolarHBondContact OG-O 3.38Å; S604-P670 WeakPolarHBondContact CA-O 3.49Å
605	K	80.6	Confident	71.6	Confident	77 Å²	77	75 Å²	75	34%	0.335	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111	169.2	-177.7	164	-179.3	168.2	0	110.4	E617 P670 Q671	K605-E617 WeakPolarHBondContact CE-OE2 3.3Å; K605-E617 IonicContact NZ-OE2 2.83Å; K605-E617 PolarHBondContact NZ-OE2 2.99Å; K605-P670 PolarHBondContact N-O 3.32Å; K605-Q671 WeakPolarHBondContact O-CA 3.39Å; K605-Q671 WeakPolarHBondContact O-CG 3.5Å
606	L	82.1	Confident	72.4	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.005	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.1	178.7	-61.5	-179.4	0	0	0	110.7	E617 R618 F620 L629 L663 L668 E672 L674	L606-E617 WeakPolarHBondContact O-CA 3.32Å; L606-R618 PolarHBondContact N-O 3.03Å; L606-R618 PolarHBondContact O-N 3.09Å; L606-R618 VanDerWaalsContact O-N 3.09Å; L606-F620 HydrophobicContact CB-CD2 4.29Å; L606-F620 HydrophobicContact CB-CE2 4.16Å; L606-F620 HydrophobicContact CD1-CD2 3.82Å; L606-F620 HydrophobicContact CD1-CE2 3.92Å; L606-F620 HydrophobicContact CG-CD2 4.12Å; L606-F620 HydrophobicContact CG-CE2 4.36Å; L606-L629 HydrophobicContact CD1-CD1 3.71Å; L606-L629 HydrophobicContact CD1-CD2 3.9Å; L606-L629 HydrophobicContact CD1-CG 4.41Å; L606-L663 HydrophobicContact CD1-CD1 4.24Å; L606-L663 HydrophobicContact CD1-CD2 4.22Å; L606-L668 HydrophobicContact CD2-CB 4.11Å; L606-E672 HydrophobicContact CD2-CB 4.1Å; L606-L674 HydrophobicContact CD1-CD1 4.28Å
607	R	82.4	Confident	73.5	Confident	90 Å²	90	74.4 Å²	74.4	34%	0.34	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.6	172.7	174.6	-178.3	-75.6	165.6	-4.4	108.4	F615 E617 E672 T673 L674	R607-F615 HydrophobicContact CG-CB 4.13Å; R607-F615 HydrophobicContact CG-CD1 3.51Å; R607-F615 HydrophobicContact CG-CE1 4.21Å; R607-F615 HydrophobicContact CG-CG 4.12Å; R607-E617 HydrophobicContact CB-CG 4.2Å; R607-E617 HydrophobicContact CG-CG 4.15Å; R607-E617 IonicContact CZ-OE1 3.24Å; R607-E617 IonicContact NE-OE1 3.12Å; R607-E617 PolarHBondContact NE-OE1 3.28Å; R607-E617 IonicContact NH2-OE1 2.86Å; R607-E617 PolarHBondContact NH2-OE1 3.25Å; R607-E672 PolarHBondContact N-O 2.99Å; R607-T673 HydrophobicContact CG-CG2 4.3Å; R607-T673 CarbonylContact O-C 3.49Å; R607-T673 VanDerWaalsContact O-CA 3.3Å; R607-T673 WeakPolarHBondContact O-CA 3.44Å; R607-L674 PolarHBondContact O-N 3.36Å
608	I	86.1	Confident	74.7	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	114.3	-175.3	-42.8	179.8	0	0	0	108.9	F615 L616 L629 F632 V633 L674 L676	I608-F615 CarbonylContact O-C 3.56Å; I608-F615 WeakPolarHBondContact O-CA 3.4Å; I608-L616 HydrophobicContact CB-CB 4.3Å; I608-L616 PolarHBondContact N-O 2.76Å; I608-L616 PolarHBondContact O-N 3.33Å; I608-L629 HydrophobicContact CD1-CD1 3.67Å; I608-F632 HydrophobicContact CD1-CD1 4.05Å; I608-F632 HydrophobicContact CD1-CE1 3.99Å; I608-V633 HydrophobicContact CD1-CG2 3.51Å; I608-V633 HydrophobicContact CG2-CG2 4.48Å; I608-L674 CarbonylContact C-O 3.58Å; I608-L674 WeakPolarHBondContact CA-O 3.37Å; I608-L674 HydrophobicContact CB-CB 4.44Å; I608-L674 HydrophobicContact CG1-CB 4.28Å; I608-L674 HydrophobicContact CG1-CD1 4.41Å; I608-L674 HydrophobicContact CG2-CB 4.15Å; I608-L676 HydrophobicContact CG2-CD1 3.82Å; I608-L676 HydrophobicContact CG2-CD2 4.38Å; I608-L676 HydrophobicContact CG2-CG 3.75Å
609	R	83.5	Confident	76.1	Confident	103 Å²	103	61.7 Å²	61.7	39%	0.389	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.9	175.5	-164.7	179	-179.2	-170.3	-7.1	110.3	E614 F615 L674 F675 L676	R609-E614 CarbonylContact C-O 3.34Å; R609-E614 VanDerWaalsContact CA-O 3.3Å; R609-E614 WeakPolarHBondContact CA-O 3.25Å; R609-F615 HydrophobicContact CB-CD1 3.8Å; R609-F615 HydrophobicContact CB-CE1 3.6Å; R609-F615 HydrophobicContact CB-CZ 4.46Å; R609-F615 HydrophobicContact CG-CD1 4Å; R609-F615 HydrophobicContact CG-CE1 3.62Å; R609-F615 HydrophobicContact CG-CZ 4.01Å; R609-L674 PolarHBondContact N-O 2.86Å; R609-F675 HydrophobicContact CB-CD1 4.25Å; R609-F675 HydrophobicContact CB-CE1 4.45Å; R609-F675 HydrophobicContact CB-CG 4.44Å; R609-L676 WeakPolarHBondContact O-CB 3.48Å; R609-L676 PolarHBondContact O-N 3.3Å
610	T	81.3	Confident	77.5	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.043	31%	0.314	C	S	.	.			trans	-79.3	165	176.6	62	0	0	0	0	111.9	S612 G613 E614 L616 F638 L676	T610-S612 WeakPolarHBondContact CB-OG 3.45Å; T610-S612 PolarHBondContact O-N 2.71Å; T610-S612 PolarHBondContact OG1-N 2.96Å; T610-S612 PolarHBondContact OG1-OG 3.2Å; T610-G613 PolarHBondContact O-N 3.02Å; T610-G613 PolarHBondContact OG1-N 2.77Å; T610-E614 PolarHBondContact N-O 3.4Å; T610-E614 WeakPolarHBondContact OG1-CB 3.35Å; T610-E614 PolarHBondContact OG1-N 3.16Å; T610-E614 PolarHBondContact OG1-O 2.94Å; T610-L616 HydrophobicContact CG2-CD1 3.85Å; T610-L616 HydrophobicContact CG2-CG 3.89Å; T610-F638 HydrophobicContact CG2-CE2 3.77Å; T610-F638 HydrophobicContact CG2-CZ 4.11Å; T610-L676 HydrophobicContact CG2-CD1 4.37Å
611	P	76.5	Confident	78.7	Confident	71 Å²	71	57.5 Å²	57.5	46%	0.461	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.5	169.3	-19.2	34	0	0	0	112.9	G613 F638 F643 L676	P611-G613 PolarHBondContact O-N 2.91Å; P611-F638 VanDerWaalsContact CD-CE1 3.49Å; P611-F638 HydrophobicContact CG-CD1 4.32Å; P611-F638 HydrophobicContact CG-CE1 3.97Å; P611-F643 HydrophobicContact CG-CD1 4.1Å; P611-F643 HydrophobicContact CG-CE1 3.88Å; P611-L676 HydrophobicContact CG-CB 4.16Å
612	S	72.8	Confident	79.2	Confident	78 Å²	78	51.8 Å²	51.8	55%	0.545	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.3	169.7	54.9	0	0	0	0	113.4	T610 E614	T610-S612 WeakPolarHBondContact CB-OG 3.45Å; T610-S612 PolarHBondContact O-N 2.71Å; T610-S612 PolarHBondContact OG1-N 2.96Å; T610-S612 PolarHBondContact OG1-OG 3.2Å; S612-E614 PolarHBondContact OG-OE2 2.98Å
613	G	73.2	Confident	79.5	Confident	29 Å²	29	50 Å²	50	30%	0.299	25%	0.254	S	S	.	.	S	Bend	trans	89.4	-1.3	179.4	0	0	0	0	0	114.9	T610 P611	T610-G613 PolarHBondContact O-N 3.02Å; T610-G613 PolarHBondContact OG1-N 2.77Å; P611-G613 PolarHBondContact O-N 2.91Å
614	E	82.3	Confident	79.6	Confident	128 Å²	128	49.4 Å²	49.4	60%	0.598	25%	0.253	S	S	*	.			trans	-74	169.8	174.1	-60.9	168.3	123.1	0	0	111.2	R609 T610 S612	R609-E614 CarbonylContact C-O 3.34Å; R609-E614 VanDerWaalsContact CA-O 3.3Å; R609-E614 WeakPolarHBondContact CA-O 3.25Å; T610-E614 PolarHBondContact N-O 3.4Å; T610-E614 WeakPolarHBondContact OG1-CB 3.35Å; T610-E614 PolarHBondContact OG1-N 3.16Å; T610-E614 PolarHBondContact OG1-O 2.94Å; S612-E614 PolarHBondContact OG-OE2 2.98Å
615	F	81.6	Confident	80	Confident	104 Å²	104	57 Å²	57	46%	0.456	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112.4	179.2	-69.6	-78.3	0	0	0	111	R607 I608 R609 E617 T673	R607-F615 HydrophobicContact CG-CB 4.13Å; R607-F615 HydrophobicContact CG-CD1 3.51Å; R607-F615 HydrophobicContact CG-CE1 4.21Å; R607-F615 HydrophobicContact CG-CG 4.12Å; I608-F615 CarbonylContact O-C 3.56Å; I608-F615 WeakPolarHBondContact O-CA 3.4Å; R609-F615 HydrophobicContact CB-CD1 3.8Å; R609-F615 HydrophobicContact CB-CE1 3.6Å; R609-F615 HydrophobicContact CB-CZ 4.46Å; R609-F615 HydrophobicContact CG-CD1 4Å; R609-F615 HydrophobicContact CG-CE1 3.62Å; R609-F615 HydrophobicContact CG-CZ 4.01Å; F615-E617 PolarHBondContact O-N 2.87Å; F615-T673 HydrophobicContact CE1-CG2 4.49Å
616	L	81.3	Confident	80	Confident	42 Å²	42	53.3 Å²	53.3	22%	0.22	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	107.9	167.9	-60.6	170	0	0	0	108.1	I608 T610 F632 K636	I608-L616 HydrophobicContact CB-CB 4.3Å; I608-L616 PolarHBondContact N-O 2.76Å; I608-L616 PolarHBondContact O-N 3.33Å; T610-L616 HydrophobicContact CG2-CD1 3.85Å; T610-L616 HydrophobicContact CG2-CG 3.89Å; L616-F632 HydrophobicContact CB-CE1 4.43Å; L616-F632 HydrophobicContact CB-CZ 4.39Å; L616-K636 HydrophobicContact CD1-CB 3.84Å; L616-K636 HydrophobicContact CD1-CG 4.09Å; L616-K636 HydrophobicContact CD2-CG 4.22Å
617	E	80.7	Confident	79.9	Confident	76 Å²	76	56.4 Å²	56.4	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133	170.1	-66	-167.4	-173.5	0	0	110.3	K605 L606 R607 F615	K605-E617 WeakPolarHBondContact CE-OE2 3.3Å; K605-E617 IonicContact NZ-OE2 2.83Å; K605-E617 PolarHBondContact NZ-OE2 2.99Å; L606-E617 WeakPolarHBondContact O-CA 3.32Å; R607-E617 HydrophobicContact CB-CG 4.2Å; R607-E617 HydrophobicContact CG-CG 4.15Å; R607-E617 IonicContact CZ-OE1 3.24Å; R607-E617 IonicContact NE-OE1 3.12Å; R607-E617 PolarHBondContact NE-OE1 3.28Å; R607-E617 IonicContact NH2-OE1 2.86Å; R607-E617 PolarHBondContact NH2-OE1 3.25Å; F615-E617 PolarHBondContact O-N 2.87Å
618	R	80.1	Confident	79.8	Confident	29 Å²	29	53.3 Å²	53.3	11%	0.109	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.5	170.7	177.7	161.7	-172.2	166.9	6.3	110.9	P592 E594 L606 F620 F632	P592-R618 PolarHBondContact O-NH2 3.2Å; E594-R618 HydrophobicContact CG-CG 4.31Å; E594-R618 WeakPolarHBondContact OE1-CG 3.31Å; L606-R618 PolarHBondContact N-O 3.03Å; L606-R618 PolarHBondContact O-N 3.09Å; L606-R618 VanDerWaalsContact O-N 3.09Å; R618-F620 HydrophobicContact CB-CD2 4.4Å; R618-F620 HydrophobicContact CB-CE2 3.67Å; R618-F620 HydrophobicContact CB-CZ 4.03Å; R618-F620 HydrophobicContact CG-CD2 4.12Å; R618-F620 HydrophobicContact CG-CE1 4.25Å; R618-F620 HydrophobicContact CG-CE2 3.63Å; R618-F620 HydrophobicContact CG-CZ 3.71Å; R618-F632 HydrophobicContact CB-CD1 4.35Å; R618-F632 HydrophobicContact CB-CE1 3.63Å; R618-F632 HydrophobicContact CB-CE2 4.36Å; R618-F632 HydrophobicContact CB-CZ 3.63Å; R618-F632 HydrophobicContact CG-CE1 4.39Å; R618-F632 HydrophobicContact CG-CZ 4.31Å
619	R	80.4	Confident	79.5	Confident	51 Å²	51	53.4 Å²	53.4	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.6	171.6	-64.4	169.5	-64	157.3	12.4	109.8	E594 P595 E597 I603 S604	E594-R619 IonicContact OE2-CZ 3.87Å; E594-R619 VanDerWaalsContact OE2-CZ 3.24Å; E594-R619 IonicContact OE2-NE 2.65Å; E594-R619 PolarHBondContact OE2-NE 2.93Å; E594-R619 IonicContact OE2-NH2 2.78Å; E594-R619 PolarHBondContact OE2-NH2 3.47Å; P595-R619 HydrophobicContact CG-CB 4.19Å; P595-R619 VanDerWaalsContact O-CZ 3.3Å; P595-R619 PolarHBondContact O-NH1 2.83Å; P595-R619 VanDerWaalsContact O-NH1 3.1Å; E597-R619 VanDerWaalsContact CG-NH1 3.27Å; I603-R619 HydrophobicContact CG2-CB 4.15Å; I603-R619 HydrophobicContact CG2-CG 4.44Å; S604-R619 WeakPolarHBondContact O-CA 3.3Å
620	F	81.4	Confident	79.5	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.2	177.5	-61.3	-95.1	0	0	0	109.2	S604 L606 R618 V628 L629 F632 L663	S604-F620 PolarHBondContact N-O 3.19Å; S604-F620 PolarHBondContact O-N 3.39Å; L606-F620 HydrophobicContact CB-CD2 4.29Å; L606-F620 HydrophobicContact CB-CE2 4.16Å; L606-F620 HydrophobicContact CD1-CD2 3.82Å; L606-F620 HydrophobicContact CD1-CE2 3.92Å; L606-F620 HydrophobicContact CG-CD2 4.12Å; L606-F620 HydrophobicContact CG-CE2 4.36Å; R618-F620 HydrophobicContact CB-CD2 4.4Å; R618-F620 HydrophobicContact CB-CE2 3.67Å; R618-F620 HydrophobicContact CB-CZ 4.03Å; R618-F620 HydrophobicContact CG-CD2 4.12Å; R618-F620 HydrophobicContact CG-CE1 4.25Å; R618-F620 HydrophobicContact CG-CE2 3.63Å; R618-F620 HydrophobicContact CG-CZ 3.71Å; F620-V628 HydrophobicContact CD1-CG1 4.37Å; F620-V628 HydrophobicContact CE1-CG1 4.29Å; F620-L629 HydrophobicContact CE2-CD1 4.02Å; F620-L629 HydrophobicContact CZ-CD1 3.8Å; F620-F632 HydrophobicContact CE1-CB 4.46Å; F620-F632 HydrophobicContact CE2-CD1 4.44Å; F620-F632 HydrophobicContact CZ-CB 4.25Å; F620-F632 AromaticContact CZ-CD1 3.69Å; F620-F632 HydrophobicContact CZ-CD1 3.69Å; F620-F632 HydrophobicContact CZ-CE1 4.31Å; F620-F632 HydrophobicContact CZ-CG 4.14Å; F620-L663 HydrophobicContact CB-CD1 3.4Å; F620-L663 HydrophobicContact CD1-CD1 4.46Å; F620-L663 HydrophobicContact CD2-CD1 4.45Å; F620-L663 HydrophobicContact CG-CD1 3.91Å
621	L	80.1	Confident	79.5	Confident	45 Å²	45	49.7 Å²	49.7	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	143.2	166.2	-61	172.3	0	0	0	109.1	P595 E601 I603 S623 C624	P595-L621 HydrophobicContact CB-CD2 3.63Å; P595-L621 HydrophobicContact CB-CG 4.21Å; P595-L621 HydrophobicContact CG-CD2 3.96Å; P595-L621 HydrophobicContact CG-CG 4.27Å; E601-L621 HydrophobicContact CB-CD2 4.17Å; E601-L621 WeakPolarHBondContact OE2-CD2 3.48Å; I603-L621 HydrophobicContact CG1-CD2 4.49Å; L621-S623 PolarHBondContact O-N 3.42Å; L621-S623 VanDerWaalsContact O-N 3.16Å; L621-C624 WeakPolarHBondContact O-CB 3.37Å; L621-C624 PolarHBondContact O-N 3.03Å; L621-C624 PolarHBondContact O-SG 3.19Å
622	G	73	Confident	79.8	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.5	177.7	0	0	0	0	0	113.3	Q602 L663 L664	Q602-G622 WeakPolarHBondContact O-CA 3.38Å; Q602-G622 PolarHBondContact O-N 3.03Å; G622-L663 PolarHBondContact O-N 3.01Å; G622-L664 WeakPolarHBondContact O-CD1 3.39Å; G622-L664 WeakPolarHBondContact O-CG 3.13Å; G622-L664 PolarHBondContact O-N 3.43Å; G622-L664 VanDerWaalsContact O-N 3.09Å
623	S	75.9	Confident	80.2	Confident	77 Å²	77	43.2 Å²	43.2	54%	0.538	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.6	171.7	52.2	0	0	0	0	114.3	L621	L621-S623 PolarHBondContact O-N 3.42Å; L621-S623 VanDerWaalsContact O-N 3.16Å
624	C	79.9	Confident	80.7	Confident	22 Å²	22	42.4 Å²	42.4	15%	0.149	20%	0.204	C	C	.	.	S	Bend	trans	-62.4	142.8	172.5	-70.8	0	0	0	0	110.6	L621 T662 L663	L621-C624 WeakPolarHBondContact O-CB 3.37Å; L621-C624 PolarHBondContact O-N 3.03Å; L621-C624 PolarHBondContact O-SG 3.19Å; C624-T662 CarbonylContact O-C 3.52Å; C624-T662 VanDerWaalsContact O-CA 3.3Å; C624-T662 WeakPolarHBondContact O-CA 3.24Å; C624-L663 HydrophobicContact CB-CD1 4.2Å; C624-L663 PolarHBondContact O-N 2.84Å
625	R	84.5	Confident	80.5	Confident	159 Å²	159	36.4 Å²	36.4	60%	0.6	18%	0.176	S	C	*	.	B	Isolated β-bridge	trans	-73.8	150.5	173.5	-67.3	-175.5	175.6	152.1	1.5	111.5	Q627 V628 S661	R625-Q627 HydrophobicContact CB-CB 4.45Å; R625-Q627 PolarHBondContact O-N 2.91Å; R625-V628 WeakPolarHBondContact O-CB 3.46Å; R625-V628 PolarHBondContact O-N 2.86Å; R625-S661 CarbonylContact C-O 3.53Å; R625-S661 WeakPolarHBondContact CA-O 3.26Å
626	L	81	Confident	80.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.5	-30	172.4	-84.8	178.7	0	0	0	113.2	V628 L629 F630 I654 L657 P659 S661 L663 A666 L668	L626-V628 PolarHBondContact O-N 2.87Å; L626-L629 HydrophobicContact CD2-CD2 3.9Å; L626-L629 WeakPolarHBondContact O-CA 3.46Å; L626-L629 WeakPolarHBondContact O-CB 3.43Å; L626-L629 PolarHBondContact O-N 2.86Å; L626-F630 HydrophobicContact CB-CE2 4.04Å; L626-F630 HydrophobicContact CB-CZ 3.99Å; L626-F630 HydrophobicContact CD1-CZ 4.44Å; L626-F630 WeakPolarHBondContact O-CD2 3.5Å; L626-F630 WeakPolarHBondContact O-CG 3.21Å; L626-F630 PolarHBondContact O-N 2.83Å; L626-I654 HydrophobicContact CD1-CG2 4.14Å; L626-I654 HydrophobicContact CD2-CG2 3.5Å; L626-I654 VanDerWaalsContact CD2-CG2 3.5Å; L626-L657 HydrophobicContact CD1-CB 3.64Å; L626-L657 HydrophobicContact CD1-CD1 3.94Å; L626-L657 HydrophobicContact CD1-CG 4.43Å; L626-P659 PolarHBondContact N-O 3.49Å; L626-S661 WeakPolarHBondContact CD1-OG 3.48Å; L626-S661 PolarHBondContact N-O 3.35Å; L626-L663 HydrophobicContact CD2-CD2 3.81Å; L626-A666 HydrophobicContact CD1-CB 4.06Å; L626-A666 HydrophobicContact CD2-CB 4.27Å; L626-A666 HydrophobicContact CG-CB 4.31Å; L626-L668 HydrophobicContact CD2-CD1 3.88Å
627	Q	79.5	Confident	80	Confident	67 Å²	67	35.7 Å²	35.7	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-50.3	-44.6	170.7	-171.6	63.8	51.2	0	0	111.9	R625 L629 F630 D631 P659	R625-Q627 HydrophobicContact CB-CB 4.45Å; R625-Q627 PolarHBondContact O-N 2.91Å; Q627-L629 PolarHBondContact O-N 3.09Å; Q627-F630 CarbonylContact O-C 3.59Å; Q627-F630 WeakPolarHBondContact O-CA 3.48Å; Q627-F630 WeakPolarHBondContact O-CB 3.43Å; Q627-F630 PolarHBondContact O-N 2.95Å; Q627-D631 PolarHBondContact NE2-OD1 3.46Å; Q627-D631 WeakPolarHBondContact O-CB 3.42Å; Q627-D631 PolarHBondContact O-N 2.87Å; Q627-P659 HydrophobicContact CB-CB 4.04Å; Q627-P659 PolarHBondContact N-O 3.01Å
628	V	80.8	Confident	80	Confident	25 Å²	25	33.9 Å²	33.9	15%	0.152	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-28.8	-179.4	-175.9	0	0	0	0	112.3	L591 P592 F620 R625 L626 F632	L591-V628 HydrophobicContact CD2-CG1 3.89Å; L591-V628 WeakPolarHBondContact CD2-O 3.27Å; P592-V628 HydrophobicContact CG-CG1 4.1Å; F620-V628 HydrophobicContact CD1-CG1 4.37Å; F620-V628 HydrophobicContact CE1-CG1 4.29Å; R625-V628 WeakPolarHBondContact O-CB 3.46Å; R625-V628 PolarHBondContact O-N 2.86Å; L626-V628 PolarHBondContact O-N 2.87Å; V628-F632 WeakPolarHBondContact O-CB 3.3Å; V628-F632 PolarHBondContact O-N 2.9Å
629	L	80.3	Confident	80	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-74.5	-39.8	172.8	177.6	62.1	0	0	0	111.3	L606 I608 F620 L626 Q627 F632 V633 L663 L668 L674	L606-L629 HydrophobicContact CD1-CD1 3.71Å; L606-L629 HydrophobicContact CD1-CD2 3.9Å; L606-L629 HydrophobicContact CD1-CG 4.41Å; I608-L629 HydrophobicContact CD1-CD1 3.67Å; F620-L629 HydrophobicContact CE2-CD1 4.02Å; F620-L629 HydrophobicContact CZ-CD1 3.8Å; L626-L629 HydrophobicContact CD2-CD2 3.9Å; L626-L629 WeakPolarHBondContact O-CA 3.46Å; L626-L629 WeakPolarHBondContact O-CB 3.43Å; L626-L629 PolarHBondContact O-N 2.86Å; Q627-L629 PolarHBondContact O-N 3.09Å; L629-F632 PolarHBondContact O-N 3.33Å; L629-V633 WeakPolarHBondContact O-CB 3.42Å; L629-V633 VanDerWaalsContact O-CG2 3.29Å; L629-V633 WeakPolarHBondContact O-CG2 3.5Å; L629-V633 PolarHBondContact O-N 2.78Å; L629-V633 VanDerWaalsContact O-N 3.1Å; L629-L663 HydrophobicContact CB-CD2 4.46Å; L629-L663 HydrophobicContact CD2-CD2 4.04Å; L629-L668 HydrophobicContact CD2-CD1 4.09Å; L629-L674 HydrophobicContact CD1-CD1 4.47Å; L629-L674 HydrophobicContact CD2-CD1 3.83Å
630	F	83	Confident	79.6	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.022	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-43.2	175.1	-55.9	-29	0	0	0	111.7	L626 Q627 F632 V633 A634 F640 I645 I654 P659	L626-F630 HydrophobicContact CB-CE2 4.04Å; L626-F630 HydrophobicContact CB-CZ 3.99Å; L626-F630 HydrophobicContact CD1-CZ 4.44Å; L626-F630 WeakPolarHBondContact O-CD2 3.5Å; L626-F630 WeakPolarHBondContact O-CG 3.21Å; L626-F630 PolarHBondContact O-N 2.83Å; Q627-F630 CarbonylContact O-C 3.59Å; Q627-F630 WeakPolarHBondContact O-CA 3.48Å; Q627-F630 WeakPolarHBondContact O-CB 3.43Å; Q627-F630 PolarHBondContact O-N 2.95Å; F630-F632 VanDerWaalsContact C-N 3.33Å; F630-F632 PolarHBondContact O-N 2.71Å; F630-V633 PolarHBondContact O-N 3.37Å; F630-A634 VanDerWaalsContact O-CB 3.3Å; F630-A634 WeakPolarHBondContact O-CB 3.46Å; F630-A634 PolarHBondContact O-N 2.64Å; F630-F640 HydrophobicContact CB-CB 4.43Å; F630-F640 HydrophobicContact CB-CD1 4.25Å; F630-F640 HydrophobicContact CB-CG 4.49Å; F630-I645 HydrophobicContact CD1-CD1 3.59Å; F630-I645 HydrophobicContact CE1-CD1 3.9Å; F630-I654 HydrophobicContact CE1-CG2 4.06Å; F630-I654 HydrophobicContact CZ-CG2 4.36Å; F630-I654 WeakPolarHBondContact CZ-O 3.47Å; F630-P659 HydrophobicContact CD2-CB 4.16Å; F630-P659 HydrophobicContact CD2-CG 4.37Å; F630-P659 HydrophobicContact CE2-CB 3.97Å; F630-P659 HydrophobicContact CE2-CG 3.99Å
631	D	81.6	Confident	79.5	Confident	28 Å²	28	42 Å²	42	15%	0.15	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-43.6	175.9	-61.3	-23.7	0	0	0	110.5	L587 L591 Q627 A634 S635	L587-D631 HydrophobicContact CD2-CB 4.3Å; L591-D631 HydrophobicContact CD2-CB 3.86Å; L591-D631 HydrophobicContact CG-CB 4.49Å; Q627-D631 PolarHBondContact NE2-OD1 3.46Å; Q627-D631 WeakPolarHBondContact O-CB 3.42Å; Q627-D631 PolarHBondContact O-N 2.87Å; D631-A634 PolarHBondContact O-N 3.21Å; D631-S635 VanDerWaalsContact O-CB 3.27Å; D631-S635 WeakPolarHBondContact O-CB 3.47Å; D631-S635 PolarHBondContact O-N 2.9Å
632	F	81.8	Confident	79.4	Confident	12 Å²	12	45 Å²	45	5%	0.053	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-41	177.2	170.4	-119.3	0	0	0	113.1	L591 I608 L616 R618 F620 V628 L629 F630 S635 K636	L591-F632 HydrophobicContact CD1-CB 4.06Å; L591-F632 HydrophobicContact CD1-CD2 4.28Å; L591-F632 HydrophobicContact CD2-CB 3.9Å; I608-F632 HydrophobicContact CD1-CD1 4.05Å; I608-F632 HydrophobicContact CD1-CE1 3.99Å; L616-F632 HydrophobicContact CB-CE1 4.43Å; L616-F632 HydrophobicContact CB-CZ 4.39Å; R618-F632 HydrophobicContact CB-CD1 4.35Å; R618-F632 HydrophobicContact CB-CE1 3.63Å; R618-F632 HydrophobicContact CB-CE2 4.36Å; R618-F632 HydrophobicContact CB-CZ 3.63Å; R618-F632 HydrophobicContact CG-CE1 4.39Å; R618-F632 HydrophobicContact CG-CZ 4.31Å; F620-F632 HydrophobicContact CE1-CB 4.46Å; F620-F632 HydrophobicContact CE2-CD1 4.44Å; F620-F632 HydrophobicContact CZ-CB 4.25Å; F620-F632 AromaticContact CZ-CD1 3.69Å; F620-F632 HydrophobicContact CZ-CD1 3.69Å; F620-F632 HydrophobicContact CZ-CE1 4.31Å; F620-F632 HydrophobicContact CZ-CG 4.14Å; V628-F632 WeakPolarHBondContact O-CB 3.3Å; V628-F632 PolarHBondContact O-N 2.9Å; L629-F632 PolarHBondContact O-N 3.33Å; F630-F632 VanDerWaalsContact C-N 3.33Å; F630-F632 PolarHBondContact O-N 2.71Å; F632-S635 PolarHBondContact O-N 3.02Å; F632-S635 PolarHBondContact O-OG 3.46Å; F632-K636 HydrophobicContact CD2-CG 4.4Å; F632-K636 HydrophobicContact CE2-CG 4.06Å; F632-K636 PolarHBondContact O-N 3.1Å
633	V	82.8	Confident	79.9	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-68	-40.6	178	167.6	0	0	0	0	110.5	I608 L629 F630 K636 F638 I645 L676	I608-V633 HydrophobicContact CD1-CG2 3.51Å; I608-V633 HydrophobicContact CG2-CG2 4.48Å; L629-V633 WeakPolarHBondContact O-CB 3.42Å; L629-V633 VanDerWaalsContact O-CG2 3.29Å; L629-V633 WeakPolarHBondContact O-CG2 3.5Å; L629-V633 PolarHBondContact O-N 2.78Å; L629-V633 VanDerWaalsContact O-N 3.1Å; F630-V633 PolarHBondContact O-N 3.37Å; V633-K636 PolarHBondContact O-N 3.08Å; V633-F638 CarbonylContact C-O 3.53Å; V633-F638 HydrophobicContact CG1-CB 3.9Å; V633-F638 WeakPolarHBondContact CG1-O 3.39Å; V633-F638 PolarHBondContact O-N 2.87Å; V633-F638 VanDerWaalsContact O-N 3.12Å; V633-I645 HydrophobicContact CB-CD1 4.32Å; V633-I645 HydrophobicContact CG1-CD1 4.12Å; V633-I645 HydrophobicContact CG1-CG1 4.4Å; V633-I645 HydrophobicContact CG2-CD1 4.15Å; V633-L676 HydrophobicContact CG1-CD1 4.17Å; V633-L676 HydrophobicContact CG1-CD2 3.47Å; V633-L676 VanDerWaalsContact CG1-CD2 3.47Å; V633-L676 HydrophobicContact CG1-CG 4.46Å
634	A	82.5	Confident	80.3	Confident	11 Å²	11	44.4 Å²	44.4	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-40.2	172.6	0	0	0	0	0	112.7	L587 F630 D631 K636 G637 F638	L587-A634 HydrophobicContact CD1-CB 3.83Å; F630-A634 VanDerWaalsContact O-CB 3.3Å; F630-A634 WeakPolarHBondContact O-CB 3.46Å; F630-A634 PolarHBondContact O-N 2.64Å; D631-A634 PolarHBondContact O-N 3.21Å; A634-K636 PolarHBondContact O-N 2.86Å; A634-G637 PolarHBondContact O-N 3.39Å; A634-F638 PolarHBondContact N-O 3.17Å
635	S	79.1	Confident	80.6	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-26.9	177	103.5	0	0	0	0	112.5	R584 E588 D631 F632 G637	R584-S635 WeakPolarHBondContact CD-O 3.08Å; R584-S635 WeakPolarHBondContact CG-O 3.35Å; E588-S635 VanDerWaalsContact CG-CB 3.41Å; E588-S635 WeakPolarHBondContact CG-OG 3.27Å; D631-S635 VanDerWaalsContact O-CB 3.27Å; D631-S635 WeakPolarHBondContact O-CB 3.47Å; D631-S635 PolarHBondContact O-N 2.9Å; F632-S635 PolarHBondContact O-N 3.02Å; F632-S635 PolarHBondContact O-OG 3.46Å; S635-G637 VanDerWaalsContact C-N 3.28Å; S635-G637 PolarHBondContact O-N 3.37Å
636	K	78.6	Confident	80.7	Confident	89 Å²	89	36.6 Å²	36.6	39%	0.387	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	18.4	172.4	-60.3	-52.1	-179.7	-167.7	0	114.2	E588 L616 F632 V633 A634 F638	E588-K636 IonicContact OE1-NZ 3.76Å; E588-K636 PolarHBondContact OE1-NZ 3.12Å; L616-K636 HydrophobicContact CD1-CB 3.84Å; L616-K636 HydrophobicContact CD1-CG 4.09Å; L616-K636 HydrophobicContact CD2-CG 4.22Å; F632-K636 HydrophobicContact CD2-CG 4.4Å; F632-K636 HydrophobicContact CE2-CG 4.06Å; F632-K636 PolarHBondContact O-N 3.1Å; V633-K636 PolarHBondContact O-N 3.08Å; A634-K636 PolarHBondContact O-N 2.86Å; K636-F638 VanDerWaalsContact O-CD2 3.31Å; K636-F638 WeakPolarHBondContact O-CD2 3.39Å; K636-F638 WeakPolarHBondContact O-CE2 3.26Å
637	G	73.8	Confident	80.8	Confident	42 Å²	42	37.3 Å²	37.3	43%	0.433	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	11.6	172.7	0	0	0	0	0	114.8	A634 S635 P639	A634-G637 PolarHBondContact O-N 3.39Å; S635-G637 VanDerWaalsContact C-N 3.28Å; S635-G637 PolarHBondContact O-N 3.37Å; G637-P639 VanDerWaalsContact C-CD 3.48Å; G637-P639 VanDerWaalsContact O-CD 3.31Å; G637-P639 WeakPolarHBondContact O-CD 3.43Å
638	F	80.1	Confident	80.6	Confident	38 Å²	38	37.2 Å²	37.2	17%	0.167	20%	0.195	C	C	.	.			trans	-116.6	71.1	178.5	-58.3	-74.8	0	0	0	110.4	T610 P611 V633 A634 K636 F640 F643 L676	T610-F638 HydrophobicContact CG2-CE2 3.77Å; T610-F638 HydrophobicContact CG2-CZ 4.11Å; P611-F638 VanDerWaalsContact CD-CE1 3.49Å; P611-F638 HydrophobicContact CG-CD1 4.32Å; P611-F638 HydrophobicContact CG-CE1 3.97Å; V633-F638 CarbonylContact C-O 3.53Å; V633-F638 HydrophobicContact CG1-CB 3.9Å; V633-F638 WeakPolarHBondContact CG1-O 3.39Å; V633-F638 PolarHBondContact O-N 2.87Å; V633-F638 VanDerWaalsContact O-N 3.12Å; A634-F638 PolarHBondContact N-O 3.17Å; K636-F638 VanDerWaalsContact O-CD2 3.31Å; K636-F638 WeakPolarHBondContact O-CD2 3.39Å; K636-F638 WeakPolarHBondContact O-CE2 3.26Å; F638-F640 PolarHBondContact O-N 3.18Å; F638-F643 HydrophobicContact CB-CB 4.36Å; F638-F643 HydrophobicContact CB-CD2 3.81Å; F638-F643 HydrophobicContact CB-CE2 4.34Å; F638-F643 HydrophobicContact CB-CG 4.02Å; F638-F643 HydrophobicContact CD1-CD1 4.01Å; F638-F643 AromaticContact CD1-CD2 3.99Å; F638-F643 HydrophobicContact CD1-CD2 3.99Å; F638-F643 AromaticContact CD1-CE1 3.84Å; F638-F643 HydrophobicContact CD1-CE1 3.84Å; F638-F643 AromaticContact CD1-CE2 3.83Å; F638-F643 HydrophobicContact CD1-CE2 3.83Å; F638-F643 HydrophobicContact CD1-CG 4.09Å; F638-F643 AromaticContact CD1-CZ 3.75Å; F638-F643 HydrophobicContact CD1-CZ 3.75Å; F638-F643 HydrophobicContact CE1-CE1 4.37Å; F638-F643 HydrophobicContact CE1-CZ 4.32Å; F638-F643 HydrophobicContact CG-CD2 4.42Å; F638-L676 HydrophobicContact CB-CD1 4.21Å; F638-L676 HydrophobicContact CD2-CD1 3.93Å; F638-L676 HydrophobicContact CE2-CD1 4.5Å; F638-L676 HydrophobicContact CG-CD1 3.98Å
639	P	79.3	Confident	80	Confident	38 Å²	38	45.1 Å²	45.1	25%	0.247	23%	0.228	C	C	.	.			trans	-57	138.2	-178.6	24.6	-33.4	0	0	0	110.9	G637 E641 E642 F643	G637-P639 VanDerWaalsContact C-CD 3.48Å; G637-P639 VanDerWaalsContact O-CD 3.31Å; G637-P639 WeakPolarHBondContact O-CD 3.43Å; P639-E641 PolarHBondContact O-N 3.37Å; P639-E642 HydrophobicContact CG-CB 4.13Å; P639-E642 HydrophobicContact CG-CG 3.99Å; P639-E642 PolarHBondContact O-N 3.38Å; P639-F643 PolarHBondContact O-N 3.37Å
640	F	73.7	Confident	79.7	Confident	76 Å²	76	48.5 Å²	48.5	33%	0.333	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-8	-179.6	73.2	-91.7	0	0	0	113.1	F630 F638 F643 T655 K679	F630-F640 HydrophobicContact CB-CB 4.43Å; F630-F640 HydrophobicContact CB-CD1 4.25Å; F630-F640 HydrophobicContact CB-CG 4.49Å; F638-F640 PolarHBondContact O-N 3.18Å; F640-F643 CarbonylContact C-O 3.57Å; F640-T655 HydrophobicContact CB-CG2 3.95Å; F640-T655 HydrophobicContact CD2-CG2 4.4Å; F640-K679 VanDerWaalsContact O-CE 3.32Å; F640-K679 WeakPolarHBondContact O-CE 3.22Å; F640-K679 PolarHBondContact O-NZ 3.26Å
641	E	77.4	Confident	79.5	Confident	143 Å²	143	56 Å²	56	67%	0.668	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-40.9	171	-61.2	-173.2	154.6	0	0	111.9	P639 K679	P639-E641 PolarHBondContact O-N 3.37Å; E641-K679 VanDerWaalsContact C-NZ 3.34Å; E641-K679 VanDerWaalsContact O-CD 3.3Å; E641-K679 WeakPolarHBondContact O-CD 3.45Å; E641-K679 WeakPolarHBondContact O-CE 3.3Å; E641-K679 PolarHBondContact O-NZ 3.13Å
642	E	79.7	Confident	79.6	Confident	109 Å²	109	60.8 Å²	60.8	51%	0.509	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-28	179.3	-62.7	177.3	174.2	0	0	112.7	P639 K679	P639-E642 HydrophobicContact CG-CB 4.13Å; P639-E642 HydrophobicContact CG-CG 3.99Å; P639-E642 PolarHBondContact O-N 3.38Å; E642-K679 WeakPolarHBondContact O-CB 3.43Å; E642-K679 WeakPolarHBondContact O-CG 3.37Å; E642-K679 PolarHBondContact O-N 2.91Å
643	F	82.3	Confident	79.6	Confident	32 Å²	32	61.9 Å²	61.9	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.9	-174	-63.2	-86.9	0	0	0	112.8	P611 F638 P639 F640 L676 A678 K679	P611-F643 HydrophobicContact CG-CD1 4.1Å; P611-F643 HydrophobicContact CG-CE1 3.88Å; F638-F643 HydrophobicContact CB-CB 4.36Å; F638-F643 HydrophobicContact CB-CD2 3.81Å; F638-F643 HydrophobicContact CB-CE2 4.34Å; F638-F643 HydrophobicContact CB-CG 4.02Å; F638-F643 HydrophobicContact CD1-CD1 4.01Å; F638-F643 AromaticContact CD1-CD2 3.99Å; F638-F643 HydrophobicContact CD1-CD2 3.99Å; F638-F643 AromaticContact CD1-CE1 3.84Å; F638-F643 HydrophobicContact CD1-CE1 3.84Å; F638-F643 AromaticContact CD1-CE2 3.83Å; F638-F643 HydrophobicContact CD1-CE2 3.83Å; F638-F643 HydrophobicContact CD1-CG 4.09Å; F638-F643 AromaticContact CD1-CZ 3.75Å; F638-F643 HydrophobicContact CD1-CZ 3.75Å; F638-F643 HydrophobicContact CE1-CE1 4.37Å; F638-F643 HydrophobicContact CE1-CZ 4.32Å; F638-F643 HydrophobicContact CG-CD2 4.42Å; P639-F643 PolarHBondContact O-N 3.37Å; F640-F643 CarbonylContact C-O 3.57Å; F643-L676 HydrophobicContact CB-CD2 4.47Å; F643-A678 HydrophobicContact CD1-CB 4.3Å; F643-A678 HydrophobicContact CE1-CB 4.09Å; F643-K679 WeakPolarHBondContact O-CE 3.33Å
644	K	85.2	Confident	79.6	Confident	33 Å²	33	61.9 Å²	61.9	14%	0.143	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.8	177.6	69.5	-149.1	179.2	-159.4	0	110.4	L646 E677 A678 K679	K644-L646 HydrophobicContact CG-CD1 4.34Å; K644-E677 VanDerWaalsContact CE-CG 3.45Å; K644-E677 WeakPolarHBondContact CE-OE1 3.37Å; K644-E677 HydrophobicContact CG-CB 4.06Å; K644-E677 WeakPolarHBondContact CG-O 3.44Å; K644-E677 PolarHBondContact N-O 2.84Å; K644-E677 IonicContact NZ-OE1 2.7Å; K644-E677 PolarHBondContact NZ-OE1 2.91Å; K644-E677 PolarHBondContact O-N 2.74Å; K644-E677 VanDerWaalsContact O-N 3.1Å; K644-A678 WeakPolarHBondContact CE-O 3.46Å; K644-A678 PolarHBondContact NZ-O 3.08Å; K644-K679 HydrophobicContact CB-CG 4.2Å; K644-K679 HydrophobicContact CD-CG 4.1Å
645	I	86	Confident	79.5	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.3	-174.5	-61.1	162.2	0	0	0	109.5	F630 V633 N653 I654 T655 L674 L676	F630-I645 HydrophobicContact CD1-CD1 3.59Å; F630-I645 HydrophobicContact CE1-CD1 3.9Å; V633-I645 HydrophobicContact CB-CD1 4.32Å; V633-I645 HydrophobicContact CG1-CD1 4.12Å; V633-I645 HydrophobicContact CG1-CG1 4.4Å; V633-I645 HydrophobicContact CG2-CD1 4.15Å; I645-N653 CarbonylContact O-C 3.52Å; I645-N653 WeakPolarHBondContact O-CA 3.4Å; I645-N653 PolarHBondContact O-OD1 3.47Å; I645-I654 HydrophobicContact CB-CB 4.32Å; I645-I654 HydrophobicContact CG2-CB 4.08Å; I645-I654 HydrophobicContact CG2-CG1 4.44Å; I645-I654 PolarHBondContact O-N 3.15Å; I645-T655 WeakPolarHBondContact CB-OG1 3.41Å; I645-T655 PolarHBondContact N-OG1 2.95Å; I645-L674 HydrophobicContact CG2-CB 4.07Å; I645-L674 HydrophobicContact CG2-CD1 3.95Å; I645-L674 HydrophobicContact CG2-CD2 4.27Å; I645-L674 HydrophobicContact CG2-CG 4.33Å; I645-L676 HydrophobicContact CG1-CD2 3.64Å
646	L	85.3	Confident	79.5	Confident	16 Å²	16	70 Å²	70	8%	0.084	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.9	-171.8	-66	160.7	0	0	0	112.3	K644 R651 R652 N653 L674 F675 E677	K644-L646 HydrophobicContact CG-CD1 4.34Å; L646-R651 HydrophobicContact CD2-CG 4.28Å; L646-R652 VanDerWaalsContact CA-O 3.32Å; L646-R652 WeakPolarHBondContact CA-O 3.4Å; L646-N653 HydrophobicContact CD2-CB 4.03Å; L646-L674 CarbonylContact O-C 3.57Å; L646-L674 WeakPolarHBondContact O-CA 3.48Å; L646-F675 HydrophobicContact CB-CB 4.41Å; L646-F675 PolarHBondContact N-O 3.35Å; L646-F675 PolarHBondContact O-N 2.88Å; L646-E677 HydrophobicContact CD1-CB 3.97Å; L646-E677 WeakPolarHBondContact CD1-OE2 3.38Å
647	T	84.1	Confident	79.5	Confident	14 Å²	14	69 Å²	69	9%	0.086	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	160.9	170.6	49.4	0	0	0	0	112.9	P650 R651 R652 I654 L668 E672 L674	T647-P650 PolarHBondContact OG1-O 2.96Å; T647-R651 WeakPolarHBondContact O-CA 3.49Å; T647-R652 PolarHBondContact N-O 3.43Å; T647-R652 VanDerWaalsContact N-O 3.11Å; T647-R652 PolarHBondContact OG1-N 3.17Å; T647-I654 HydrophobicContact CG2-CD1 3.79Å; T647-I654 HydrophobicContact CG2-CG1 3.94Å; T647-L668 HydrophobicContact CG2-CD2 3.79Å; T647-E672 HydrophobicContact CG2-CG 4.18Å; T647-L674 HydrophobicContact CG2-CD2 3.66Å
648	T	75.4	Confident	79.7	Confident	66 Å²	66	72.3 Å²	72.3	41%	0.405	34%	0.344	S	S	.	.	S	Bend	trans	-63.7	-71.4	175.2	50	0	0	0	0	113.3	E672 T673 F675	T648-E672 PolarHBondContact N-OE1 3.41Å; T648-E672 PolarHBondContact OG1-OE1 2.78Å; T648-T673 HydrophobicContact CG2-CG2 4.49Å; T648-T673 WeakPolarHBondContact CG2-O 3.36Å; T648-F675 HydrophobicContact CG2-CD2 4.3Å; T648-F675 HydrophobicContact CG2-CE2 3.63Å
649	F	68	Low	79.6	Confident	190 Å²	190	72.8 Å²	72.8	83%	0.833	35%	0.351	S	S	*	.	S	Bend	trans	-153	121.9	-175.2	-161.7	-92.2	0	0	0	112.3
650	P	74.4	Confident	79.4	Confident	72 Å²	72	72.7 Å²	72.7	47%	0.468	36%	0.357	S	S	.	.	S	Bend	cis	-66.1	140	-5.1	29.2	-35.6	0	0	0	111.4	T647 R652	T647-P650 PolarHBondContact OG1-O 2.96Å; P650-R652 PolarHBondContact O-N 2.97Å
651	R	78.5	Confident	79.7	Confident	163 Å²	163	70.3 Å²	70.3	62%	0.615	35%	0.35	S	S	*	.			trans	-67.5	114.9	177.8	-171.5	176.8	-178.7	-170	0.2	109.7	L646 T647 E677	L646-R651 HydrophobicContact CD2-CG 4.28Å; T647-R651 WeakPolarHBondContact O-CA 3.49Å; R651-E677 IonicContact CZ-OE2 2.74Å; R651-E677 IonicContact NH2-OE1 3.8Å; R651-E677 IonicContact NH2-OE2 3.93Å; R651-E677 PolarHBondContact NH2-OE2 2.8Å
652	R	82.8	Confident	80.1	Confident	129 Å²	129	65 Å²	65	49%	0.487	33%	0.327	S	S	.	.			trans	-130.4	142	-179.6	-66.6	174.3	176.1	174	-0.5	109.4	L646 T647 P650 I654	L646-R652 VanDerWaalsContact CA-O 3.32Å; L646-R652 WeakPolarHBondContact CA-O 3.4Å; T647-R652 PolarHBondContact N-O 3.43Å; T647-R652 VanDerWaalsContact N-O 3.11Å; T647-R652 PolarHBondContact OG1-N 3.17Å; P650-R652 PolarHBondContact O-N 2.97Å; R652-I654 PolarHBondContact O-N 3.06Å
653	N	83	Confident	80.1	Confident	35 Å²	35	59.9 Å²	59.9	19%	0.187	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-83.2	106.4	173.1	-170.2	-13	0	0	0	109.4	I645 L646 T655 Q656	I645-N653 CarbonylContact O-C 3.52Å; I645-N653 WeakPolarHBondContact O-CA 3.4Å; I645-N653 PolarHBondContact O-OD1 3.47Å; L646-N653 HydrophobicContact CD2-CB 4.03Å; N653-T655 VanDerWaalsContact C-N 3.32Å; N653-T655 VanDerWaalsContact OD1-CB 3.32Å; N653-T655 WeakPolarHBondContact OD1-CB 3.48Å; N653-T655 PolarHBondContact OD1-N 3.46Å; N653-T655 VanDerWaalsContact OD1-N 3.09Å; N653-Q656 HydrophobicContact CB-CB 4.28Å; N653-Q656 HydrophobicContact CB-CG 4.2Å; N653-Q656 VanDerWaalsContact ND2-CD 3.28Å; N653-Q656 PolarHBondContact O-N 3.14Å
654	I	81.7	Confident	79.9	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-71.5	-31.3	179.4	-58.1	-55.8	0	0	0	110.4	L626 F630 I645 T647 R652 Q656 L657 L668 L674	L626-I654 HydrophobicContact CD1-CG2 4.14Å; L626-I654 HydrophobicContact CD2-CG2 3.5Å; L626-I654 VanDerWaalsContact CD2-CG2 3.5Å; F630-I654 HydrophobicContact CE1-CG2 4.06Å; F630-I654 HydrophobicContact CZ-CG2 4.36Å; F630-I654 WeakPolarHBondContact CZ-O 3.47Å; I645-I654 HydrophobicContact CB-CB 4.32Å; I645-I654 HydrophobicContact CG2-CB 4.08Å; I645-I654 HydrophobicContact CG2-CG1 4.44Å; I645-I654 PolarHBondContact O-N 3.15Å; T647-I654 HydrophobicContact CG2-CD1 3.79Å; T647-I654 HydrophobicContact CG2-CG1 3.94Å; R652-I654 PolarHBondContact O-N 3.06Å; I654-Q656 PolarHBondContact O-N 3.3Å; I654-L657 HydrophobicContact CD1-CD1 3.78Å; I654-L657 HydrophobicContact CG2-CD1 4.4Å; I654-L657 WeakPolarHBondContact O-CB 3.35Å; I654-L657 PolarHBondContact O-N 3.11Å; I654-L668 HydrophobicContact CD1-CD1 4.36Å; I654-L668 HydrophobicContact CD1-CD2 4.18Å; I654-L668 HydrophobicContact CG1-CD1 4.45Å; I654-L668 HydrophobicContact CG2-CD1 4.08Å; I654-L674 HydrophobicContact CG1-CD2 4.21Å
655	T	80.3	Confident	79.7	Confident	26 Å²	26	66 Å²	66	16%	0.16	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-66.9	-3.3	174.2	-43.6	0	0	0	0	113.6	F640 I645 N653	F640-T655 HydrophobicContact CB-CG2 3.95Å; F640-T655 HydrophobicContact CD2-CG2 4.4Å; I645-T655 WeakPolarHBondContact CB-OG1 3.41Å; I645-T655 PolarHBondContact N-OG1 2.95Å; N653-T655 VanDerWaalsContact C-N 3.32Å; N653-T655 VanDerWaalsContact OD1-CB 3.32Å; N653-T655 WeakPolarHBondContact OD1-CB 3.48Å; N653-T655 PolarHBondContact OD1-N 3.46Å; N653-T655 VanDerWaalsContact OD1-N 3.09Å
656	Q	80.1	Confident	79.2	Confident	156 Å²	156	66.5 Å²	66.5	73%	0.729	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-105.7	2.4	172.2	-73.4	176.1	-23	0	0	113.4	N653 I654	N653-Q656 HydrophobicContact CB-CB 4.28Å; N653-Q656 HydrophobicContact CB-CG 4.2Å; N653-Q656 VanDerWaalsContact ND2-CD 3.28Å; N653-Q656 PolarHBondContact O-N 3.14Å; I654-Q656 PolarHBondContact O-N 3.3Å
657	L	79.2	Confident	78.9	Confident	70 Å²	70	73.1 Å²	73.1	37%	0.366	37%	0.367	S	S	.	.	S	Bend	trans	-87.8	157.3	172.2	-58.5	178.5	0	0	0	110.4	L626 I654 P659 A666	L626-L657 HydrophobicContact CD1-CB 3.64Å; L626-L657 HydrophobicContact CD1-CD1 3.94Å; L626-L657 HydrophobicContact CD1-CG 4.43Å; I654-L657 HydrophobicContact CD1-CD1 3.78Å; I654-L657 HydrophobicContact CG2-CD1 4.4Å; I654-L657 WeakPolarHBondContact O-CB 3.35Å; I654-L657 PolarHBondContact O-N 3.11Å; L657-P659 WeakPolarHBondContact O-CD 3.08Å; L657-A666 HydrophobicContact CD1-CB 4.22Å
658	D	78.1	Confident	78.6	Confident	110 Å²	110	72.5 Å²	72.5	59%	0.588	36%	0.363	S	S	*	.			trans	-59	119.5	175.5	176.1	8.4	0	0	0	110.6	G660 S661	D658-G660 PolarHBondContact O-N 3.26Å; D658-G660 VanDerWaalsContact O-N 3.08Å; D658-G660 PolarHBondContact OD1-N 3.15Å; D658-S661 WeakPolarHBondContact O-CB 3.33Å; D658-S661 PolarHBondContact O-N 3.23Å; D658-S661 PolarHBondContact O-OG 3.34Å
659	P	76.4	Confident	78.6	Confident	48 Å²	48	73.1 Å²	73.1	31%	0.312	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.9	176.7	-20.1	30	0	0	0	113.8	L626 Q627 F630 L657 S661	L626-P659 PolarHBondContact N-O 3.49Å; Q627-P659 HydrophobicContact CB-CB 4.04Å; Q627-P659 PolarHBondContact N-O 3.01Å; F630-P659 HydrophobicContact CD2-CB 4.16Å; F630-P659 HydrophobicContact CD2-CG 4.37Å; F630-P659 HydrophobicContact CE2-CB 3.97Å; F630-P659 HydrophobicContact CE2-CG 3.99Å; L657-P659 WeakPolarHBondContact O-CD 3.08Å; P659-S661 VanDerWaalsContact C-N 3.34Å
660	G	75.7	Confident	78.8	Confident	37 Å²	37	68 Å²	68	38%	0.381	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.1	174.4	0	0	0	0	0	115.1	D658	D658-G660 PolarHBondContact O-N 3.26Å; D658-G660 VanDerWaalsContact O-N 3.08Å; D658-G660 PolarHBondContact OD1-N 3.15Å
661	S	81	Confident	78.9	Confident	25 Å²	25	70.1 Å²	70.1	18%	0.175	35%	0.35	C	S	.	.	S	Bend	trans	-77.8	153.5	-176.4	66.1	0	0	0	0	113.4	R625 L626 D658 P659	R625-S661 CarbonylContact C-O 3.53Å; R625-S661 WeakPolarHBondContact CA-O 3.26Å; L626-S661 WeakPolarHBondContact CD1-OG 3.48Å; L626-S661 PolarHBondContact N-O 3.35Å; D658-S661 WeakPolarHBondContact O-CB 3.33Å; D658-S661 PolarHBondContact O-N 3.23Å; D658-S661 PolarHBondContact O-OG 3.34Å; P659-S661 VanDerWaalsContact C-N 3.34Å
662	T	84.1	Confident	79.1	Confident	32 Å²	32	64.2 Å²	64.2	20%	0.196	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-86.5	158.4	-173.7	63.8	0	0	0	0	113.8	C624 L664 E665 A666	C624-T662 CarbonylContact O-C 3.52Å; C624-T662 VanDerWaalsContact O-CA 3.3Å; C624-T662 WeakPolarHBondContact O-CA 3.24Å; T662-L664 PolarHBondContact O-N 2.82Å; T662-E665 WeakPolarHBondContact CB-OE2 3.26Å; T662-E665 WeakPolarHBondContact CG2-OE2 3.31Å; T662-E665 PolarHBondContact N-OE2 3.44Å; T662-E665 PolarHBondContact O-N 3.44Å; T662-E665 VanDerWaalsContact O-N 3.13Å; T662-E665 VanDerWaalsContact OG1-CD 3.25Å; T662-E665 VanDerWaalsContact OG1-CG 3.29Å; T662-E665 WeakPolarHBondContact OG1-CG 3.35Å; T662-E665 PolarHBondContact OG1-N 3.2Å; T662-E665 PolarHBondContact OG1-OE2 3.12Å; T662-A666 WeakPolarHBondContact O-CB 3.34Å; T662-A666 PolarHBondContact O-N 2.82Å
663	L	80.9	Confident	79.1	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.3	175.3	-65.1	-179.6	0	0	0	113	L606 F620 G622 C624 L626 L629 K667 L668	L606-L663 HydrophobicContact CD1-CD1 4.24Å; L606-L663 HydrophobicContact CD1-CD2 4.22Å; F620-L663 HydrophobicContact CB-CD1 3.4Å; F620-L663 HydrophobicContact CD1-CD1 4.46Å; F620-L663 HydrophobicContact CD2-CD1 4.45Å; F620-L663 HydrophobicContact CG-CD1 3.91Å; G622-L663 PolarHBondContact O-N 3.01Å; C624-L663 HydrophobicContact CB-CD1 4.2Å; C624-L663 PolarHBondContact O-N 2.84Å; L626-L663 HydrophobicContact CD2-CD2 3.81Å; L629-L663 HydrophobicContact CB-CD2 4.46Å; L629-L663 HydrophobicContact CD2-CD2 4.04Å; L663-K667 PolarHBondContact O-N 2.6Å; L663-L668 HydrophobicContact CB-CB 4.48Å; L663-L668 HydrophobicContact CD2-CB 4.36Å; L663-L668 HydrophobicContact CD2-CD1 3.93Å; L663-L668 PolarHBondContact O-N 3.02Å
664	L	78	Confident	79.2	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.325	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-47.7	172	-74.1	159.6	0	0	0	112.2	Q602 G622 T662 K667 F669	Q602-L664 VanDerWaalsContact OE1-CD1 3.29Å; G622-L664 WeakPolarHBondContact O-CD1 3.39Å; G622-L664 WeakPolarHBondContact O-CG 3.13Å; G622-L664 PolarHBondContact O-N 3.43Å; G622-L664 VanDerWaalsContact O-N 3.09Å; T662-L664 PolarHBondContact O-N 2.82Å; L664-K667 WeakPolarHBondContact O-CA 3.3Å; L664-K667 PolarHBondContact O-N 3.08Å; L664-F669 HydrophobicContact CD2-CB 3.85Å; L664-F669 HydrophobicContact CD2-CD1 3.7Å; L664-F669 HydrophobicContact CD2-CD2 4.18Å; L664-F669 HydrophobicContact CD2-CE1 4.34Å; L664-F669 HydrophobicContact CD2-CG 3.62Å
665	E	80.1	Confident	79.3	Confident	132 Å²	132	61.6 Å²	61.6	62%	0.617	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-38.3	178.8	-69.7	162.4	134.4	0	0	111.9	T662 K667	T662-E665 WeakPolarHBondContact CB-OE2 3.26Å; T662-E665 WeakPolarHBondContact CG2-OE2 3.31Å; T662-E665 PolarHBondContact N-OE2 3.44Å; T662-E665 PolarHBondContact O-N 3.44Å; T662-E665 VanDerWaalsContact O-N 3.13Å; T662-E665 VanDerWaalsContact OG1-CD 3.25Å; T662-E665 VanDerWaalsContact OG1-CG 3.29Å; T662-E665 WeakPolarHBondContact OG1-CG 3.35Å; T662-E665 PolarHBondContact OG1-N 3.2Å; T662-E665 PolarHBondContact OG1-OE2 3.12Å; E665-K667 PolarHBondContact O-N 3.17Å; E665-K667 VanDerWaalsContact O-N 3.17Å
666	A	77.1	Confident	79.6	Confident	12 Å²	12	60.9 Å²	60.9	10%	0.099	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.5	172.4	0	0	0	0	0	113.7	L626 L657 T662 L668	L626-A666 HydrophobicContact CD1-CB 4.06Å; L626-A666 HydrophobicContact CD2-CB 4.27Å; L626-A666 HydrophobicContact CG-CB 4.31Å; L657-A666 HydrophobicContact CD1-CB 4.22Å; T662-A666 WeakPolarHBondContact O-CB 3.34Å; T662-A666 PolarHBondContact O-N 2.82Å; A666-L668 HydrophobicContact CB-CD1 3.9Å; A666-L668 HydrophobicContact CB-CG 3.84Å
667	K	79	Confident	79.8	Confident	155 Å²	155	56.8 Å²	56.8	67%	0.674	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	38	-174.5	-50.4	-165.5	179	-165.1	0	113.6	L663 L664 E665	L663-K667 PolarHBondContact O-N 2.6Å; L664-K667 WeakPolarHBondContact O-CA 3.3Å; L664-K667 PolarHBondContact O-N 3.08Å; E665-K667 PolarHBondContact O-N 3.17Å; E665-K667 VanDerWaalsContact O-N 3.17Å
668	L	77.4	Confident	79.8	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.302	C	S	.	.			trans	-102.2	32.8	178.6	-58.4	179.7	0	0	0	111.6	S604 L606 L626 L629 T647 I654 L663 A666 E672 L674	S604-L668 WeakPolarHBondContact CB-O 3.5Å; S604-L668 PolarHBondContact OG-O 3.38Å; L606-L668 HydrophobicContact CD2-CB 4.11Å; L626-L668 HydrophobicContact CD2-CD1 3.88Å; L629-L668 HydrophobicContact CD2-CD1 4.09Å; T647-L668 HydrophobicContact CG2-CD2 3.79Å; I654-L668 HydrophobicContact CD1-CD1 4.36Å; I654-L668 HydrophobicContact CD1-CD2 4.18Å; I654-L668 HydrophobicContact CG1-CD1 4.45Å; I654-L668 HydrophobicContact CG2-CD1 4.08Å; L663-L668 HydrophobicContact CB-CB 4.48Å; L663-L668 HydrophobicContact CD2-CB 4.36Å; L663-L668 HydrophobicContact CD2-CD1 3.93Å; L663-L668 PolarHBondContact O-N 3.02Å; A666-L668 HydrophobicContact CB-CD1 3.9Å; A666-L668 HydrophobicContact CB-CG 3.84Å; L668-E672 HydrophobicContact CD2-CB 4.28Å; L668-E672 HydrophobicContact CD2-CG 3.89Å; L668-L674 HydrophobicContact CD2-CD2 4.04Å
669	F	75.3	Confident	79.8	Confident	79 Å²	79	55 Å²	55	35%	0.346	29%	0.293	S	S	.	.			trans	-136.6	143.5	-178.7	168.6	-85.1	0	0	0	109.5	Q602 I603 L664	Q602-F669 HydrophobicContact CB-CD2 4.37Å; Q602-F669 HydrophobicContact CB-CE2 3.69Å; Q602-F669 HydrophobicContact CB-CZ 4Å; Q602-F669 HydrophobicContact CG-CE2 4.49Å; Q602-F669 HydrophobicContact CG-CZ 4.31Å; I603-F669 VanDerWaalsContact O-CE2 3.22Å; I603-F669 WeakPolarHBondContact O-CE2 3.48Å; L664-F669 HydrophobicContact CD2-CB 3.85Å; L664-F669 HydrophobicContact CD2-CD1 3.7Å; L664-F669 HydrophobicContact CD2-CD2 4.18Å; L664-F669 HydrophobicContact CD2-CE1 4.34Å; L664-F669 HydrophobicContact CD2-CG 3.62Å
670	P	71.1	Confident	78.9	Confident	82 Å²	82	65 Å²	65	53%	0.532	34%	0.335	S	S	.	.	S	Bend	cis	-85.9	-17.7	1.5	33.9	-35.8	0	0	0	114.5	S604 K605	S604-P670 WeakPolarHBondContact CA-O 3.49Å; K605-P670 PolarHBondContact N-O 3.32Å
671	Q	78.1	Confident	79	Confident	117 Å²	117	66.5 Å²	66.5	55%	0.547	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	131.1	178.9	-173.7	177	9.9	0	0	110	K605	K605-Q671 WeakPolarHBondContact O-CA 3.39Å; K605-Q671 WeakPolarHBondContact O-CG 3.5Å
672	E	81.2	Confident	78.9	Confident	39 Å²	39	68.6 Å²	68.6	18%	0.182	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.9	175.8	179.6	54.3	-128.4	0	0	109.9	L606 R607 T647 T648 L668 L674	L606-E672 HydrophobicContact CD2-CB 4.1Å; R607-E672 PolarHBondContact N-O 2.99Å; T647-E672 HydrophobicContact CG2-CG 4.18Å; T648-E672 PolarHBondContact N-OE1 3.41Å; T648-E672 PolarHBondContact OG1-OE1 2.78Å; L668-E672 HydrophobicContact CD2-CB 4.28Å; L668-E672 HydrophobicContact CD2-CG 3.89Å; E672-L674 HydrophobicContact CG-CD2 4.07Å
673	T	82.9	Confident	78.6	Confident	36 Å²	36	70.7 Å²	70.7	22%	0.221	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.5	172.5	-55.6	0	0	0	0	109.6	R607 F615 T648 F675	R607-T673 HydrophobicContact CG-CG2 4.3Å; R607-T673 CarbonylContact O-C 3.49Å; R607-T673 VanDerWaalsContact O-CA 3.3Å; R607-T673 WeakPolarHBondContact O-CA 3.44Å; F615-T673 HydrophobicContact CE1-CG2 4.49Å; T648-T673 HydrophobicContact CG2-CG2 4.49Å; T648-T673 WeakPolarHBondContact CG2-O 3.36Å; T673-F675 HydrophobicContact CG2-CD2 4.4Å; T673-F675 HydrophobicContact CG2-CE2 3.76Å; T673-F675 HydrophobicContact CG2-CZ 4.49Å
674	L	86	Confident	78.5	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	154.2	179	-61.7	176.6	0	0	0	110.4	L606 R607 I608 R609 L629 I645 L646 T647 I654 L668 E672	L606-L674 HydrophobicContact CD1-CD1 4.28Å; R607-L674 PolarHBondContact O-N 3.36Å; I608-L674 CarbonylContact C-O 3.58Å; I608-L674 WeakPolarHBondContact CA-O 3.37Å; I608-L674 HydrophobicContact CB-CB 4.44Å; I608-L674 HydrophobicContact CG1-CB 4.28Å; I608-L674 HydrophobicContact CG1-CD1 4.41Å; I608-L674 HydrophobicContact CG2-CB 4.15Å; R609-L674 PolarHBondContact N-O 2.86Å; L629-L674 HydrophobicContact CD1-CD1 4.47Å; L629-L674 HydrophobicContact CD2-CD1 3.83Å; I645-L674 HydrophobicContact CG2-CB 4.07Å; I645-L674 HydrophobicContact CG2-CD1 3.95Å; I645-L674 HydrophobicContact CG2-CD2 4.27Å; I645-L674 HydrophobicContact CG2-CG 4.33Å; L646-L674 CarbonylContact O-C 3.57Å; L646-L674 WeakPolarHBondContact O-CA 3.48Å; T647-L674 HydrophobicContact CG2-CD2 3.66Å; I654-L674 HydrophobicContact CG1-CD2 4.21Å; L668-L674 HydrophobicContact CD2-CD2 4.04Å; E672-L674 HydrophobicContact CG-CD2 4.07Å
675	F	84.3	Confident	78.5	Confident	73 Å²	73	75.6 Å²	75.6	32%	0.32	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.3	-178.7	-76.8	-111.5	0	0	0	109.1	R609 L646 T648 T673	R609-F675 HydrophobicContact CB-CD1 4.25Å; R609-F675 HydrophobicContact CB-CE1 4.45Å; R609-F675 HydrophobicContact CB-CG 4.44Å; L646-F675 HydrophobicContact CB-CB 4.41Å; L646-F675 PolarHBondContact N-O 3.35Å; L646-F675 PolarHBondContact O-N 2.88Å; T648-F675 HydrophobicContact CG2-CD2 4.3Å; T648-F675 HydrophobicContact CG2-CE2 3.63Å; T673-F675 HydrophobicContact CG2-CD2 4.4Å; T673-F675 HydrophobicContact CG2-CE2 3.76Å; T673-F675 HydrophobicContact CG2-CZ 4.49Å
676	L	85.9	Confident	78.4	Confident	12 Å²	12	71.8 Å²	71.8	6%	0.063	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.2	169.9	-67.9	166.6	0	0	0	109.2	I608 R609 T610 P611 V633 F638 F643 I645	I608-L676 HydrophobicContact CG2-CD1 3.82Å; I608-L676 HydrophobicContact CG2-CD2 4.38Å; I608-L676 HydrophobicContact CG2-CG 3.75Å; R609-L676 WeakPolarHBondContact O-CB 3.48Å; R609-L676 PolarHBondContact O-N 3.3Å; T610-L676 HydrophobicContact CG2-CD1 4.37Å; P611-L676 HydrophobicContact CG-CB 4.16Å; V633-L676 HydrophobicContact CG1-CD1 4.17Å; V633-L676 HydrophobicContact CG1-CD2 3.47Å; V633-L676 VanDerWaalsContact CG1-CD2 3.47Å; V633-L676 HydrophobicContact CG1-CG 4.46Å; F638-L676 HydrophobicContact CB-CD1 4.21Å; F638-L676 HydrophobicContact CD2-CD1 3.93Å; F638-L676 HydrophobicContact CE2-CD1 4.5Å; F638-L676 HydrophobicContact CG-CD1 3.98Å; F643-L676 HydrophobicContact CB-CD2 4.47Å; I645-L676 HydrophobicContact CG1-CD2 3.64Å
677	E	83.2	Confident	78.5	Confident	69 Å²	69	76.1 Å²	76.1	32%	0.322	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141	174.1	-168.4	-175.8	133.1	0	0	106.9	K644 L646 R651	K644-E677 VanDerWaalsContact CE-CG 3.45Å; K644-E677 WeakPolarHBondContact CE-OE1 3.37Å; K644-E677 HydrophobicContact CG-CB 4.06Å; K644-E677 WeakPolarHBondContact CG-O 3.44Å; K644-E677 PolarHBondContact N-O 2.84Å; K644-E677 IonicContact NZ-OE1 2.7Å; K644-E677 PolarHBondContact NZ-OE1 2.91Å; K644-E677 PolarHBondContact O-N 2.74Å; K644-E677 VanDerWaalsContact O-N 3.1Å; L646-E677 HydrophobicContact CD1-CB 3.97Å; L646-E677 WeakPolarHBondContact CD1-OE2 3.38Å; R651-E677 IonicContact CZ-OE2 2.74Å; R651-E677 IonicContact NH2-OE1 3.8Å; R651-E677 IonicContact NH2-OE2 3.93Å; R651-E677 PolarHBondContact NH2-OE2 2.8Å
678	A	79.8	Confident	78.5	Confident	51 Å²	51	70 Å²	70	42%	0.421	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	149.4	172.9	0	0	0	0	0	109.8	F643 K644	F643-A678 HydrophobicContact CD1-CB 4.3Å; F643-A678 HydrophobicContact CE1-CB 4.09Å; K644-A678 WeakPolarHBondContact CE-O 3.46Å; K644-A678 PolarHBondContact NZ-O 3.08Å
679	K	77.4	Confident	78.6	Confident	93 Å²	93	75.8 Å²	75.8	40%	0.404	38%	0.38	S	S	.	.			trans	-75.6	147.8	160.3	-62.5	178.8	-163.5	169.4	0	108.7	F640 E641 E642 F643 K644	F640-K679 VanDerWaalsContact O-CE 3.32Å; F640-K679 WeakPolarHBondContact O-CE 3.22Å; F640-K679 PolarHBondContact O-NZ 3.26Å; E641-K679 VanDerWaalsContact C-NZ 3.34Å; E641-K679 VanDerWaalsContact O-CD 3.3Å; E641-K679 WeakPolarHBondContact O-CD 3.45Å; E641-K679 WeakPolarHBondContact O-CE 3.3Å; E641-K679 PolarHBondContact O-NZ 3.13Å; E642-K679 WeakPolarHBondContact O-CB 3.43Å; E642-K679 WeakPolarHBondContact O-CG 3.37Å; E642-K679 PolarHBondContact O-N 2.91Å; F643-K679 WeakPolarHBondContact O-CE 3.33Å; K644-K679 HydrophobicContact CB-CG 4.2Å; K644-K679 HydrophobicContact CD-CG 4.1Å
680	E	58	Low	78.9	Confident	258 Å²	258	75.5 Å²	75.5	100%	1.206	38%	0.384	S	S	*	.			trans	-93.4	0	168.5	-65.1	176.6	124.5	0	0	108.9

Retrieved 680 of 680 residues in 1222.4 ms (Link to these results)

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