A0A077ZMY4_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077ZMY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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	50.7	Low	50.4	Low	78 Å²	78	72.3 Å²	72.3	38%	0.384	39%	0.386	S	S	.	.				0	96.6	0	-77.6	-170.7	-67	0	0	107	D5 K9	M1-D5 WeakPolarHBondContact CA-OD2 3.17Å; M1-D5 HydrophobicContact CB-CB 4.1Å; M1-D5 HydrophobicContact CG-CB 3.92Å; M1-K9 HydrophobicContact SD-CD 4.46Å; M1-K9 PolarHBondContact SD-NZ 2.62Å
2	S	43.2	Very low	51	Low	56 Å²	56	77.5 Å²	77.5	39%	0.392	41%	0.414	S	S	.	.			trans	-73.1	168.7	166.7	52	0	0	0	0	109.6	T4 D5 I6	S2-T4 PolarHBondContact O-N 2.62Å; S2-T4 VanDerWaalsContact O-N 3.16Å; S2-T4 PolarHBondContact OG-OG1 3.26Å; S2-D5 PolarHBondContact N-OD2 3.41Å; S2-D5 PolarHBondContact O-N 3.19Å; S2-I6 PolarHBondContact O-N 3.28Å
3	A	46.6	Very low	51.5	Low	46 Å²	46	82.2 Å²	82.2	38%	0.38	43%	0.429	S	S	.	.	H	α-helix	trans	-52.5	-34.4	175.7	0	0	0	0	0	113	I6 L7	A3-I6 WeakPolarHBondContact O-CB 3.05Å; A3-I6 PolarHBondContact O-N 3.11Å; A3-L7 PolarHBondContact O-N 3.36Å; A3-L7 VanDerWaalsContact O-N 3.1Å
4	T	47.7	Very low	50.7	Low	94 Å²	94	81.1 Å²	81.1	58%	0.577	45%	0.448	S	S	*	.	H	α-helix	trans	-62.1	-42	174.5	43	0	0	0	0	113.3	S2 I6 L7 E8	S2-T4 PolarHBondContact O-N 2.62Å; S2-T4 VanDerWaalsContact O-N 3.16Å; S2-T4 PolarHBondContact OG-OG1 3.26Å; T4-I6 PolarHBondContact O-N 2.89Å; T4-L7 PolarHBondContact O-N 2.89Å; T4-E8 PolarHBondContact O-N 2.83Å; T4-E8 VanDerWaalsContact O-N 3.13Å
5	D	54.1	Low	50.1	Low	65 Å²	65	82.1 Å²	82.1	35%	0.348	45%	0.451	S	S	.	.	H	α-helix	trans	-67.3	-26.1	177.9	-60.5	-22.7	0	0	0	112.1	M1 S2 K9	M1-D5 WeakPolarHBondContact CA-OD2 3.17Å; M1-D5 HydrophobicContact CB-CB 4.1Å; M1-D5 HydrophobicContact CG-CB 3.92Å; S2-D5 PolarHBondContact N-OD2 3.41Å; S2-D5 PolarHBondContact O-N 3.19Å; D5-K9 PolarHBondContact O-N 2.94Å
6	I	51	Low	49.5	Very low	16 Å²	16	82.3 Å²	82.3	8%	0.082	45%	0.451	C	S	.	.	H	α-helix	trans	-74.4	-46.4	177.2	-63.8	173.6	0	0	0	109.7	S2 A3 T4 E8 K9 L10 P87	S2-I6 PolarHBondContact O-N 3.28Å; A3-I6 WeakPolarHBondContact O-CB 3.05Å; A3-I6 PolarHBondContact O-N 3.11Å; T4-I6 PolarHBondContact O-N 2.89Å; I6-E8 PolarHBondContact O-N 3.15Å; I6-K9 PolarHBondContact O-N 3.33Å; I6-L10 HydrophobicContact CG2-CD1 3.96Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CG 3.47Å; I6-L10 PolarHBondContact O-N 2.95Å; I6-P87 HydrophobicContact CD1-CB 4.13Å; I6-P87 HydrophobicContact CD1-CG 3.92Å; I6-P87 HydrophobicContact CG1-CB 4.26Å; I6-P87 HydrophobicContact CG2-CB 4.35Å
7	L	50.5	Low	49.4	Very low	85 Å²	85	81.1 Å²	81.1	45%	0.445	46%	0.455	S	S	.	.	H	α-helix	trans	-60.3	-45	178	-73.8	167.8	0	0	0	112.1	A3 T4 K9 L10 E11	A3-L7 PolarHBondContact O-N 3.36Å; A3-L7 VanDerWaalsContact O-N 3.1Å; T4-L7 PolarHBondContact O-N 2.89Å; L7-K9 PolarHBondContact O-N 3.48Å; L7-L10 PolarHBondContact O-N 3.08Å; L7-E11 PolarHBondContact O-N 3.31Å
8	E	48.8	Very low	48.9	Very low	128 Å²	128	85.3 Å²	85.3	60%	0.598	47%	0.467	S	S	*	.	H	α-helix	trans	-62.6	-31.3	179.4	-138.1	179.2	-162.3	0	0	112.3	T4 I6 N12	T4-E8 PolarHBondContact O-N 2.83Å; T4-E8 VanDerWaalsContact O-N 3.13Å; I6-E8 PolarHBondContact O-N 3.15Å; E8-N12 PolarHBondContact O-ND2 3.11Å
9	K	57.8	Low	48.6	Very low	97 Å²	97	87.9 Å²	87.9	42%	0.422	48%	0.481	S	S	.	.	H	α-helix	trans	-75.1	-36.6	172.6	-79	-177.7	177.6	179.3	0	112.7	M1 D5 I6 L7 N12 F13	M1-K9 HydrophobicContact SD-CD 4.46Å; M1-K9 PolarHBondContact SD-NZ 2.62Å; D5-K9 PolarHBondContact O-N 2.94Å; I6-K9 PolarHBondContact O-N 3.33Å; L7-K9 PolarHBondContact O-N 3.48Å; K9-N12 PolarHBondContact O-N 3.5Å; K9-F13 VanDerWaalsContact O-CD2 3.29Å; K9-F13 WeakPolarHBondContact O-CD2 3.31Å
10	L	52.8	Low	48.3	Very low	23 Å²	23	92 Å²	92	12%	0.12	49%	0.494	C	S	.	.	H	α-helix	trans	-68.9	-36.5	178	-68.8	169.7	0	0	0	111.8	I6 L7 N12 F13 I15	I6-L10 HydrophobicContact CG2-CD1 3.96Å; I6-L10 HydrophobicContact CG2-CG 4.44Å; I6-L10 WeakPolarHBondContact O-CG 3.47Å; I6-L10 PolarHBondContact O-N 2.95Å; L7-L10 PolarHBondContact O-N 3.08Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 2.99Å; L10-F13 PolarHBondContact O-N 3.24Å; L10-F13 VanDerWaalsContact O-N 3.09Å; L10-I15 HydrophobicContact CD2-CD1 4.08Å; L10-I15 PolarHBondContact O-N 3.43Å
11	E	51.8	Low	47.6	Very low	107 Å²	107	95.1 Å²	95.1	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-37.1	175.7	-75.4	-171.9	164.5	0	0	112.5	L7 F13 G14	L7-E11 PolarHBondContact O-N 3.31Å; E11-F13 PolarHBondContact O-N 2.96Å; E11-F13 VanDerWaalsContact O-N 3.08Å; E11-G14 PolarHBondContact O-N 2.99Å
12	N	57	Low	46.7	Very low	135 Å²	135	101.2 Å²	101.2	72%	0.722	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.8	174.9	-81	-49.3	0	0	0	113.8	E8 K9 L10	E8-N12 PolarHBondContact O-ND2 3.11Å; K9-N12 PolarHBondContact O-N 3.5Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 2.99Å
13	F	58	Low	46.3	Very low	139 Å²	139	104 Å²	104	61%	0.61	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	13.3	174.5	-71.3	-78.1	0	0	0	113.5	K9 L10 E11	K9-F13 VanDerWaalsContact O-CD2 3.29Å; K9-F13 WeakPolarHBondContact O-CD2 3.31Å; L10-F13 PolarHBondContact O-N 3.24Å; L10-F13 VanDerWaalsContact O-N 3.09Å; E11-F13 PolarHBondContact O-N 2.96Å; E11-F13 VanDerWaalsContact O-N 3.08Å
14	G	39.3	Very low	45.6	Very low	67 Å²	67	107.1 Å²	107.1	69%	0.691	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.7	18.3	172.3	0	0	0	0	0	115	E11	E11-G14 PolarHBondContact O-N 2.99Å
15	I	42.8	Very low	45.1	Very low	96 Å²	96	110 Å²	110	49%	0.492	58%	0.58	S	S	.	*			trans	-92.9	103.3	172.8	-56.9	172.7	0	0	0	107.4	L10	L10-I15 HydrophobicContact CD2-CD1 4.08Å; L10-I15 PolarHBondContact O-N 3.43Å
16	N	40.7	Very low	44.4	Very low	85 Å²	85	112.5 Å²	112.5	46%	0.455	60%	0.597	S	S	.	*			trans	-93.6	124.4	-172.6	-161.5	-17.7	0	0	0	110.9	K18 D19	N16-K18 PolarHBondContact O-N 3.44Å; N16-K18 VanDerWaalsContact O-N 3.08Å; N16-K18 PolarHBondContact OD1-N 2.98Å; N16-D19 PolarHBondContact O-N 3.04Å
17	A	47.1	Very low	44.3	Very low	62 Å²	62	115.2 Å²	115.2	51%	0.512	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-59.4	-22.7	179.1	0	0	0	0	0	113.3	D19 F20	A17-D19 VanDerWaalsContact C-N 3.27Å; A17-D19 PolarHBondContact O-N 3.19Å; A17-F20 PolarHBondContact O-N 3.24Å
18	K	40.2	Very low	44.7	Very low	157 Å²	157	116.1 Å²	116.1	68%	0.683	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-71.2	-12.2	179.1	-75.4	-174.4	174.1	179.9	0	115.3	N16 F20	N16-K18 PolarHBondContact O-N 3.44Å; N16-K18 VanDerWaalsContact O-N 3.08Å; N16-K18 PolarHBondContact OD1-N 2.98Å; K18-F20 PolarHBondContact O-N 3.38Å
19	D	42.9	Very low	45.6	Very low	135 Å²	135	113.3 Å²	113.3	72%	0.722	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-73.5	-1.8	174.5	-72.2	-26.9	0	0	0	113	N16 A17	N16-D19 PolarHBondContact O-N 3.04Å; A17-D19 VanDerWaalsContact C-N 3.27Å; A17-D19 PolarHBondContact O-N 3.19Å
20	F	43.6	Very low	46.4	Very low	169 Å²	169	112.3 Å²	112.3	74%	0.741	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-111.4	0.3	-178.8	-67.6	-82.7	0	0	0	115.1	A17 K18 K22	A17-F20 PolarHBondContact O-N 3.24Å; K18-F20 PolarHBondContact O-N 3.38Å; F20-K22 PolarHBondContact O-N 2.97Å; F20-K22 VanDerWaalsContact O-N 3.13Å
21	E	32.4	Very low	47.8	Very low	157 Å²	157	112 Å²	112	73%	0.734	62%	0.617	S	S	*	*			trans	-85.2	83.4	174.2	-77.5	-172.7	164.3	0	0	111.3
22	K	32.7	Very low	49.3	Very low	206 Å²	206	109.4 Å²	109.4	90%	0.896	60%	0.604	S	S	*	*			trans	174.3	81.1	145.3	-96.6	163.9	-172.4	-179.1	0	112	F20	F20-K22 PolarHBondContact O-N 2.97Å; F20-K22 VanDerWaalsContact O-N 3.13Å
23	S	33.6	Very low	50.4	Low	116 Å²	116	108.8 Å²	108.8	81%	0.811	61%	0.605	S	S	*	*			trans	-160.8	90.4	146.3	60.2	0	0	0	0	109.4
24	S	32.7	Very low	51.6	Low	110 Å²	110	106 Å²	106	77%	0.769	60%	0.603	S	S	*	*			trans	-72.2	138.3	164.7	47.5	0	0	0	0	110.5
25	D	36.8	Very low	53.9	Low	156 Å²	156	103.4 Å²	103.4	83%	0.834	57%	0.573	S	S	*	*	S	Bend	trans	77.3	48.8	152.4	-62	-20.2	0	0	0	121.9
26	V	39.4	Very low	55.9	Low	116 Å²	116	107.5 Å²	107.5	70%	0.703	59%	0.587	S	S	*	*	S	Bend	trans	-132.8	113.6	138.8	-176.7	0	0	0	0	106.4	S28 D30	V26-S28 PolarHBondContact O-N 2.86Å; V26-D30 VanDerWaalsContact CG1-OD2 3.3Å; V26-D30 WeakPolarHBondContact CG1-OD2 3.25Å
27	S	49.5	Very low	58.2	Low	73 Å²	73	109 Å²	109	51%	0.51	59%	0.586	S	S	.	*			trans	-9.8	101.6	171.2	156.2	0	0	0	0	111.8	D29 D30	S27-D29 PolarHBondContact O-N 3.41Å; S27-D30 WeakPolarHBondContact CB-OD1 3.44Å; S27-D30 WeakPolarHBondContact O-CB 3.44Å; S27-D30 PolarHBondContact O-N 2.7Å; S27-D30 PolarHBondContact OG-OD1 2.79Å
28	S	59.9	Low	60.1	Low	104 Å²	104	108.8 Å²	108.8	73%	0.727	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-14.1	-169.8	55.6	0	0	0	0	113.5	V26 W31	V26-S28 PolarHBondContact O-N 2.86Å; S28-W31 PolarHBondContact O-NE1 3.4Å; S28-W31 VanDerWaalsContact O-NE1 3.14Å
29	D	65.7	Low	62.4	Low	69 Å²	69	107.4 Å²	107.4	37%	0.369	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.3	7.5	-178.8	-85	-7.2	0	0	0	114.6	S27 W31 K32	S27-D29 PolarHBondContact O-N 3.41Å; D29-W31 PolarHBondContact O-N 3.35Å; D29-K32 HydrophobicContact CB-CD 3.97Å; D29-K32 HydrophobicContact CB-CG 4.37Å; D29-K32 VanDerWaalsContact CG-CE 3.49Å; D29-K32 VanDerWaalsContact CG-NZ 3.34Å; D29-K32 VanDerWaalsContact O-CB 3.26Å; D29-K32 WeakPolarHBondContact O-CB 3.24Å; D29-K32 PolarHBondContact O-N 2.96Å; D29-K32 VanDerWaalsContact OD1-CE 3.28Å; D29-K32 WeakPolarHBondContact OD1-CE 3.4Å; D29-K32 IonicContact OD1-NZ 3.49Å; D29-K32 PolarHBondContact OD1-NZ 3.32Å; D29-K32 WeakPolarHBondContact OD2-CE 3.38Å; D29-K32 IonicContact OD2-NZ 2.95Å; D29-K32 PolarHBondContact OD2-NZ 2.53Å
30	D	74.7	Confident	64.5	Low	76 Å²	76	106.3 Å²	106.3	41%	0.406	58%	0.576	S	S	.	*	H	α-helix	trans	-54.6	-30.9	176.9	-87.9	-0.2	0	0	0	112.6	V26 S27 K32 T33	V26-D30 VanDerWaalsContact CG1-OD2 3.3Å; V26-D30 WeakPolarHBondContact CG1-OD2 3.25Å; S27-D30 WeakPolarHBondContact CB-OD1 3.44Å; S27-D30 WeakPolarHBondContact O-CB 3.44Å; S27-D30 PolarHBondContact O-N 2.7Å; S27-D30 PolarHBondContact OG-OD1 2.79Å; D30-K32 PolarHBondContact O-N 2.89Å; D30-T33 WeakPolarHBondContact O-CB 3.36Å; D30-T33 PolarHBondContact O-N 3.48Å; D30-T33 VanDerWaalsContact O-N 3.14Å; D30-T33 PolarHBondContact O-OG1 3.42Å
31	W	83.4	Confident	66.6	Low	17 Å²	17	100.5 Å²	100.5	6%	0.064	55%	0.552	C	S	.	*	H	α-helix	trans	-63.2	-28.6	176.5	68.8	-84	0	0	0	112.9	S28 D29 T33 S34 I35 R64 L67 M68 F71	S28-W31 PolarHBondContact O-NE1 3.4Å; S28-W31 VanDerWaalsContact O-NE1 3.14Å; D29-W31 PolarHBondContact O-N 3.35Å; W31-T33 PolarHBondContact O-N 2.98Å; W31-S34 PolarHBondContact O-N 3.09Å; W31-S34 VanDerWaalsContact O-N 3.07Å; W31-S34 PolarHBondContact O-OG 3Å; W31-I35 HydrophobicContact CD2-CD1 4.47Å; W31-I35 HydrophobicContact CE3-CD1 3.34Å; W31-I35 HydrophobicContact CE3-CG1 4.27Å; W31-I35 HydrophobicContact CH2-CD1 4.28Å; W31-I35 HydrophobicContact CZ3-CD1 3.22Å; W31-I35 HydrophobicContact CZ3-CG1 4.47Å; W31-I35 WeakPolarHBondContact O-CG1 3.26Å; W31-R64 HydrophobicContact CD2-CG 3.97Å; W31-R64 HydrophobicContact CE3-CG 4.15Å; W31-R64 HydrophobicContact CG-CG 4.28Å; W31-L67 HydrophobicContact CH2-CB 3.58Å; W31-L67 HydrophobicContact CH2-CD1 4.38Å; W31-L67 HydrophobicContact CZ2-CB 4.39Å; W31-L67 HydrophobicContact CZ2-CD1 4.42Å; W31-L67 HydrophobicContact CZ3-CB 4.16Å; W31-M68 HydrophobicContact CE3-CG 3.3Å; W31-M68 HydrophobicContact CE3-SD 4.19Å; W31-M68 HydrophobicContact CZ3-CB 4.23Å; W31-M68 HydrophobicContact CZ3-CG 3.36Å; W31-F71 AromaticContact CH2-CD2 3.74Å; W31-F71 HydrophobicContact CH2-CD2 3.74Å; W31-F71 AromaticContact CH2-CE2 3.72Å; W31-F71 HydrophobicContact CH2-CE2 3.72Å; W31-F71 HydrophobicContact CZ2-CE2 4.5Å; W31-F71 HydrophobicContact CZ3-CD2 4.13Å
32	K	82.7	Confident	69.2	Low	52 Å²	52	96.9 Å²	96.9	23%	0.226	53%	0.532	C	S	.	.	H	α-helix	trans	-61.7	-32.4	176	-65.5	-178.4	177.3	169.8	0	111.7	D29 D30 S34 I35 E58	D29-K32 HydrophobicContact CB-CD 3.97Å; D29-K32 HydrophobicContact CB-CG 4.37Å; D29-K32 VanDerWaalsContact CG-CE 3.49Å; D29-K32 VanDerWaalsContact CG-NZ 3.34Å; D29-K32 VanDerWaalsContact O-CB 3.26Å; D29-K32 WeakPolarHBondContact O-CB 3.24Å; D29-K32 PolarHBondContact O-N 2.96Å; D29-K32 VanDerWaalsContact OD1-CE 3.28Å; D29-K32 WeakPolarHBondContact OD1-CE 3.4Å; D29-K32 IonicContact OD1-NZ 3.49Å; D29-K32 PolarHBondContact OD1-NZ 3.32Å; D29-K32 WeakPolarHBondContact OD2-CE 3.38Å; D29-K32 IonicContact OD2-NZ 2.95Å; D29-K32 PolarHBondContact OD2-NZ 2.53Å; D30-K32 PolarHBondContact O-N 2.89Å; K32-S34 VanDerWaalsContact C-N 3.27Å; K32-S34 PolarHBondContact O-N 3.18Å; K32-I35 PolarHBondContact O-N 3.46Å; K32-E58 VanDerWaalsContact CE-OE1 3.3Å; K32-E58 WeakPolarHBondContact CE-OE1 3.29Å; K32-E58 IonicContact NZ-OE1 2.72Å; K32-E58 PolarHBondContact NZ-OE1 2.72Å
33	T	81.3	Confident	71.9	Confident	123 Å²	123	89.1 Å²	89.1	76%	0.755	50%	0.497	S	S	*	.	H	α-helix	trans	-69.9	-24.1	177.2	71.8	0	0	0	0	113	D30 W31	D30-T33 WeakPolarHBondContact O-CB 3.36Å; D30-T33 PolarHBondContact O-N 3.48Å; D30-T33 VanDerWaalsContact O-N 3.14Å; D30-T33 PolarHBondContact O-OG1 3.42Å; W31-T33 PolarHBondContact O-N 2.98Å
34	S	82.6	Confident	74.6	Confident	79 Å²	79	87.7 Å²	87.7	55%	0.552	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.4	-179.6	72.9	0	0	0	0	114.2	W31 K32	W31-S34 PolarHBondContact O-N 3.09Å; W31-S34 VanDerWaalsContact O-N 3.07Å; W31-S34 PolarHBondContact O-OG 3Å; K32-S34 VanDerWaalsContact C-N 3.27Å; K32-S34 PolarHBondContact O-N 3.18Å
35	I	86.8	Confident	77.5	Confident	14 Å²	14	85.3 Å²	85.3	7%	0.072	46%	0.456	C	S	.	.	S	Bend	trans	-88.5	128.4	-174.1	-64.5	165.9	0	0	0	110	W31 K32 R37 M68 F71 E72	W31-I35 HydrophobicContact CD2-CD1 4.47Å; W31-I35 HydrophobicContact CE3-CD1 3.34Å; W31-I35 HydrophobicContact CE3-CG1 4.27Å; W31-I35 HydrophobicContact CH2-CD1 4.28Å; W31-I35 HydrophobicContact CZ3-CD1 3.22Å; W31-I35 HydrophobicContact CZ3-CG1 4.47Å; W31-I35 WeakPolarHBondContact O-CG1 3.26Å; K32-I35 PolarHBondContact O-N 3.46Å; I35-R37 HydrophobicContact CB-CG 4.48Å; I35-R37 HydrophobicContact CG2-CG 3.7Å; I35-R37 PolarHBondContact O-N 3.12Å; I35-R37 VanDerWaalsContact O-N 3.11Å; I35-M68 HydrophobicContact CD1-CB 4.45Å; I35-M68 HydrophobicContact CD1-CG 4.01Å; I35-M68 HydrophobicContact CG1-CG 4.25Å; I35-F71 HydrophobicContact CG2-CB 4.3Å; I35-E72 HydrophobicContact CB-CG 4.49Å; I35-E72 HydrophobicContact CG2-CB 4.4Å; I35-E72 HydrophobicContact CG2-CG 3.38Å
36	K	86	Confident	80.2	Confident	182 Å²	182	78.9 Å²	78.9	79%	0.791	42%	0.422	S	S	*	.			trans	-81.6	90.4	170.6	-66.3	-176.6	-178.6	-179.1	0	109.8
37	R	87.5	Confident	82.7	Confident	115 Å²	115	75.2 Å²	75.2	43%	0.434	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-77.8	141.8	174.9	-60.3	-178.7	-174.9	-158.5	-5.9	110.5	I35	I35-R37 HydrophobicContact CB-CG 4.48Å; I35-R37 HydrophobicContact CG2-CG 3.7Å; I35-R37 PolarHBondContact O-N 3.12Å; I35-R37 VanDerWaalsContact O-N 3.11Å
38	P	88.8	Confident	84.7	Confident	58 Å²	58	72.4 Å²	72.4	38%	0.377	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-66	161.5	166.8	30	-33.8	0	0	0	110.1	K40 E72	P38-K40 PolarHBondContact O-N 3.42Å; P38-E72 WeakPolarHBondContact CD-O 3.44Å
39	P	87.1	Confident	86.2	Confident	128 Å²	128	68 Å²	68	83%	0.831	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-54.7	138.6	173.1	-23.9	33.8	0	0	0	111.6	D41	P39-D41 PolarHBondContact O-N 3.02Å
40	K	86.6	Confident	87.5	Confident	113 Å²	113	68.1 Å²	68.1	49%	0.491	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.8	131.2	178.1	-179.9	164	-176.1	170.4	0	110.9	P38 R42 E76	P38-K40 PolarHBondContact O-N 3.42Å; K40-R42 HydrophobicContact CG-CG 4.48Å; K40-R42 PolarHBondContact O-N 3.44Å; K40-E76 VanDerWaalsContact CD-OE1 3.26Å; K40-E76 WeakPolarHBondContact CD-OE1 3.25Å; K40-E76 WeakPolarHBondContact CE-OE2 3.04Å; K40-E76 WeakPolarHBondContact CG-OE1 3.49Å; K40-E76 IonicContact NZ-OE2 3.43Å
41	D	87.8	Confident	88.3	Confident	46 Å²	46	71 Å²	71	25%	0.246	36%	0.361	C	S	.	.			trans	-79.3	104	175	-169.6	-6.1	0	0	0	110.1	P39 R43 H388	P39-D41 PolarHBondContact O-N 3.02Å; D41-R43 WeakPolarHBondContact OD1-CB 3.36Å; D41-R43 WeakPolarHBondContact OD1-CG 3.32Å; D41-R43 IonicContact OD1-CZ 2.63Å; D41-R43 PolarHBondContact OD1-N 2.86Å; D41-R43 IonicContact OD1-NE 2.66Å; D41-R43 PolarHBondContact OD1-NE 2.75Å; D41-R43 IonicContact OD1-NH2 2.76Å; D41-R43 IonicContact OD2-CZ 3.62Å; D41-R43 IonicContact OD2-NE 3.62Å; D41-R43 PolarHBondContact OD2-NE 3.44Å; D41-R43 IonicContact OD2-NH2 3.78Å; D41-R43 PolarHBondContact OD2-NH2 3.48Å; D41-H388 IonicContact OD1-NE2 3.48Å; D41-H388 IonicContact OD2-CE1 2.85Å; D41-H388 PolarHBondContact OD2-CE1 3.1Å; D41-H388 IonicContact OD2-NE2 3.21Å; D41-H388 PolarHBondContact OD2-NE2 2.69Å
42	R	88.2	Confident	88.8	Confident	81 Å²	81	72.7 Å²	72.7	31%	0.306	37%	0.372	S	S	.	.			trans	-93.6	8.7	-176.4	-58.4	-174.7	-172.4	-151.1	-2.7	114	K40 M433 D434 Q437 D441	K40-R42 HydrophobicContact CG-CG 4.48Å; K40-R42 PolarHBondContact O-N 3.44Å; R42-M433 HydrophobicContact CB-SD 4.47Å; R42-D434 PolarHBondContact O-N 3.19Å; R42-Q437 PolarHBondContact NH1-O 3.29Å; R42-D441 IonicContact CZ-OD2 3.75Å; R42-D441 IonicContact NH1-OD2 3.5Å; R42-D441 IonicContact NH2-OD2 3.34Å; R42-D441 PolarHBondContact NH2-OD2 3.1Å
43	R	89.9	Confident	89.2	Confident	43 Å²	43	77 Å²	77	16%	0.162	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-70.2	148.7	176	-64.6	176.6	-67.4	173.1	-1.6	109.8	D41 K45 H388 Q432 M433	D41-R43 WeakPolarHBondContact OD1-CB 3.36Å; D41-R43 WeakPolarHBondContact OD1-CG 3.32Å; D41-R43 IonicContact OD1-CZ 2.63Å; D41-R43 PolarHBondContact OD1-N 2.86Å; D41-R43 IonicContact OD1-NE 2.66Å; D41-R43 PolarHBondContact OD1-NE 2.75Å; D41-R43 IonicContact OD1-NH2 2.76Å; D41-R43 IonicContact OD2-CZ 3.62Å; D41-R43 IonicContact OD2-NE 3.62Å; D41-R43 PolarHBondContact OD2-NE 3.44Å; D41-R43 IonicContact OD2-NH2 3.78Å; D41-R43 PolarHBondContact OD2-NH2 3.48Å; R43-K45 PolarHBondContact O-N 3.3Å; R43-H388 PolarHBondContact NE-CD2 3.21Å; R43-H388 VanDerWaalsContact NE-CD2 3.25Å; R43-H388 PolarHBondContact NE-NE2 3.24Å; R43-H388 PolarHBondContact NH2-CE1 3.17Å; R43-H388 PolarHBondContact NH2-NE2 3.09Å; R43-H388 VanDerWaalsContact NH2-NE2 3.12Å; R43-Q432 WeakPolarHBondContact CA-O 3.33Å; R43-M433 HydrophobicContact CG-CE 3.85Å; R43-M433 HydrophobicContact CG-SD 3.96Å
44	L	90.2	Very high	89.7	Confident	86 Å²	86	73.4 Å²	73.4	45%	0.45	38%	0.379	S	S	.	.			trans	-50.9	131.9	171.3	-175.6	80.1	0	0	0	110.9	L389 Q432	L44-L389 HydrophobicContact CD2-CD1 3.88Å; L44-L389 HydrophobicContact CD2-CD2 4.3Å; L44-L389 HydrophobicContact CD2-CG 4.22Å; L44-Q432 PolarHBondContact N-O 2.97Å
45	K	92.1	Very high	90.2	Very high	61 Å²	61	70.6 Å²	70.6	27%	0.265	36%	0.358	S	S	.	.			trans	-118.2	127.4	173.7	-68.3	174.9	-173.5	165.4	0	110.4	R43 V49 T50 G387	R43-K45 PolarHBondContact O-N 3.3Å; K45-V49 HydrophobicContact CB-CG2 3.84Å; K45-V49 HydrophobicContact CD-CG2 4.39Å; K45-V49 HydrophobicContact CG-CG2 4.34Å; K45-T50 HydrophobicContact CB-CG2 3.61Å; K45-G387 CarbonylContact C-O 3.56Å; K45-G387 WeakPolarHBondContact CA-O 3.43Å
46	T	93.1	Very high	90.6	Very high	20 Å²	20	73 Å²	73	12%	0.123	37%	0.369	C	S	.	.			trans	-70.8	164.7	178.7	66.5	0	0	0	0	112.7	D48 V49 T50 L265 G387 L389	T46-D48 PolarHBondContact O-N 3.05Å; T46-V49 PolarHBondContact O-N 3.41Å; T46-T50 PolarHBondContact O-N 2.8Å; T46-T50 PolarHBondContact O-OG1 3.26Å; T46-T50 VanDerWaalsContact O-OG1 3.11Å; T46-L265 HydrophobicContact CG2-CB 4.26Å; T46-G387 WeakPolarHBondContact CG2-O 3.41Å; T46-G387 PolarHBondContact N-O 3.14Å; T46-G387 WeakPolarHBondContact OG1-CA 3.19Å; T46-G387 PolarHBondContact OG1-O 3.22Å; T46-L389 HydrophobicContact CG2-CD2 3.67Å
47	A	92.7	Very high	91.1	Very high	39 Å²	39	64.4 Å²	64.4	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-56.9	-17.9	176	0	0	0	0	0	114.5	V49 T50 R51 L265	A47-V49 PolarHBondContact O-N 2.85Å; A47-T50 WeakPolarHBondContact CA-OG1 3.22Å; A47-R51 HydrophobicContact CB-CB 4.27Å; A47-R51 WeakPolarHBondContact O-CB 3.38Å; A47-R51 PolarHBondContact O-N 2.88Å; A47-L265 HydrophobicContact CB-CD1 4.02Å
48	D	91.3	Very high	91.4	Very high	15 Å²	15	61.8 Å²	61.8	8%	0.08	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-22	174	-73.9	-30.8	0	0	0	112.9	T46 K100 T103 L264 L265	T46-D48 PolarHBondContact O-N 3.05Å; D48-K100 WeakPolarHBondContact OD1-CD 3.5Å; D48-K100 WeakPolarHBondContact OD1-CE 3.29Å; D48-K100 IonicContact OD1-NZ 3.61Å; D48-K100 PolarHBondContact OD1-NZ 2.92Å; D48-K100 IonicContact OD2-NZ 3.69Å; D48-K100 PolarHBondContact OD2-NZ 2.82Å; D48-T103 HydrophobicContact CB-CG2 4.33Å; D48-L264 HydrophobicContact CB-CD2 4.43Å; D48-L264 WeakPolarHBondContact OD2-CA 3.14Å; D48-L265 PolarHBondContact OD2-N 2.86Å
49	V	92.1	Very high	91.7	Very high	10 Å²	10	62.2 Å²	62.2	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-127.3	-8.3	177.2	-57.1	0	0	0	0	114.6	K45 T46 A47 P80 F386	K45-V49 HydrophobicContact CB-CG2 3.84Å; K45-V49 HydrophobicContact CD-CG2 4.39Å; K45-V49 HydrophobicContact CG-CG2 4.34Å; T46-V49 PolarHBondContact O-N 3.41Å; A47-V49 PolarHBondContact O-N 2.85Å; V49-P80 WeakPolarHBondContact O-CD 3.41Å; V49-F386 HydrophobicContact CG1-CD2 4.31Å; V49-F386 HydrophobicContact CG1-CG 4.5Å
50	T	92.9	Very high	92.1	Very high	72 Å²	72	56.3 Å²	56.3	44%	0.442	28%	0.284	S	S	.	.	H	α-helix	trans	-109.1	-14.2	-178.9	59	0	0	0	0	114.5	K45 T46 A47 T52	K45-T50 HydrophobicContact CB-CG2 3.61Å; T46-T50 PolarHBondContact O-N 2.8Å; T46-T50 PolarHBondContact O-OG1 3.26Å; T46-T50 VanDerWaalsContact O-OG1 3.11Å; A47-T50 WeakPolarHBondContact CA-OG1 3.22Å; T50-T52 PolarHBondContact O-N 3.08Å
51	R	92.1	Very high	92.5	Very high	138 Å²	138	55 Å²	55	52%	0.521	29%	0.288	S	S	.	.			trans	-78.7	68.7	178.6	-171.9	171.7	56.8	169.6	-1.8	111	A47 P80 E260	A47-R51 HydrophobicContact CB-CB 4.27Å; A47-R51 WeakPolarHBondContact O-CB 3.38Å; A47-R51 PolarHBondContact O-N 2.88Å; R51-P80 VanDerWaalsContact O-CG 3.29Å; R51-P80 WeakPolarHBondContact O-CG 3.4Å; R51-E260 IonicContact NH1-OE2 2.71Å
52	T	92.3	Very high	92.9	Very high	51 Å²	51	53.4 Å²	53.4	31%	0.313	28%	0.28	S	S	.	.			trans	-102	173.6	179.1	68.5	0	0	0	0	110.6	T50 G54 P78 P80 E83	T50-T52 PolarHBondContact O-N 3.08Å; T52-G54 VanDerWaalsContact C-N 3.25Å; T52-G54 PolarHBondContact OG1-N 3.3Å; T52-P78 WeakPolarHBondContact CG2-O 3.44Å; T52-P80 HydrophobicContact CG2-CG 4.01Å; T52-E83 WeakPolarHBondContact CA-OE2 3.46Å
53	K	91.9	Very high	93.3	Very high	142 Å²	142	53.2 Å²	53.2	62%	0.617	28%	0.281	S	S	*	.			trans	-86.4	1	170.6	-61.5	170.9	-172.9	159	0	112.2	E83	K53-E83 WeakPolarHBondContact CA-OE1 3.47Å; K53-E83 WeakPolarHBondContact CB-OE1 3.41Å; K53-E83 PolarHBondContact N-OE1 2.88Å; K53-E83 PolarHBondContact N-OE2 2.64Å
54	G	92.1	Very high	93.6	Very high	48 Å²	48	57.5 Å²	57.5	50%	0.495	30%	0.297	S	S	.	.	S	Bend	trans	86.3	16.5	-179.7	0	0	0	0	0	114.2	T52 E83	T52-G54 VanDerWaalsContact C-N 3.25Å; T52-G54 PolarHBondContact OG1-N 3.3Å; G54-E83 PolarHBondContact N-OE1 2.94Å
55	N	93.4	Very high	93.9	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.112	30%	0.295	C	S	.	.			trans	-74.5	143.4	172.7	-61.2	-20.2	0	0	0	110.2	D59 F60 P78 E83	N55-D59 WeakPolarHBondContact CA-OD2 3.28Å; N55-D59 HydrophobicContact CB-CB 4.49Å; N55-F60 HydrophobicContact CB-CE1 4.22Å; N55-F60 HydrophobicContact CB-CZ 4.25Å; N55-P78 VanDerWaalsContact O-CD 3.26Å; N55-P78 WeakPolarHBondContact O-CD 3.14Å; N55-P78 WeakPolarHBondContact O-CG 3.46Å; N55-E83 HydrophobicContact CB-CG 4.06Å; N55-E83 WeakPolarHBondContact CB-OE1 3.4Å; N55-E83 PolarHBondContact N-OE1 2.67Å; N55-E83 VanDerWaalsContact N-OE1 3.08Å
56	E	94.6	Very high	94.1	Very high	65 Å²	65	54.6 Å²	54.6	30%	0.304	28%	0.282	S	S	.	.			trans	-99.1	168.1	172.4	-61.4	-58.9	159.4	0	0	111.2	E58 D59 N77	E56-E58 PolarHBondContact O-N 3.26Å; E56-D59 PolarHBondContact N-OD2 3.07Å; E56-D59 WeakPolarHBondContact O-CB 3.14Å; E56-D59 PolarHBondContact O-N 3.46Å; E56-N77 PolarHBondContact OE1-ND2 2.66Å; E56-N77 PolarHBondContact OE2-ND2 3.07Å; E56-N77 PolarHBondContact OE2-OD1 2.76Å
57	F	96.5	Very high	94.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-64.7	-32.3	178.7	-75.6	-67.3	0	0	0	112.5	D59 F60 L67 I70 F71 W75 E76 P78 I86 I111	F57-D59 PolarHBondContact O-N 2.99Å; F57-F60 HydrophobicContact CD1-CD2 4.17Å; F57-F60 AromaticContact CD1-CE2 4Å; F57-F60 HydrophobicContact CD1-CE2 4Å; F57-F60 PolarHBondContact O-N 3.2Å; F57-L67 HydrophobicContact CB-CD2 3.84Å; F57-I70 HydrophobicContact CD1-CD1 4.36Å; F57-I70 HydrophobicContact CD1-CG2 4.42Å; F57-I70 HydrophobicContact CD2-CG2 3.68Å; F57-I70 HydrophobicContact CE1-CG2 4.49Å; F57-I70 HydrophobicContact CE2-CG2 3.75Å; F57-I70 HydrophobicContact CG-CG2 4.03Å; F57-I70 HydrophobicContact CZ-CG2 4.17Å; F57-F71 HydrophobicContact CD2-CE1 4.45Å; F57-W75 HydrophobicContact CE2-CB 4.03Å; F57-W75 HydrophobicContact CZ-CB 4.33Å; F57-E76 WeakPolarHBondContact CD2-O 3.48Å; F57-P78 HydrophobicContact CD1-CB 4.18Å; F57-P78 HydrophobicContact CE1-CB 3.74Å; F57-P78 HydrophobicContact CZ-CB 3.95Å; F57-I86 HydrophobicContact CE1-CD1 4.21Å; F57-I111 HydrophobicContact CD1-CD1 4.16Å; F57-I111 HydrophobicContact CE1-CD1 3.6Å; F57-I111 HydrophobicContact CZ-CD1 4.4Å
58	E	94.2	Very high	94.5	Very high	61 Å²	61	53.7 Å²	53.7	29%	0.285	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61.9	-29.1	175.2	-67.2	96.3	144.3	0	0	112.8	K32 E56 F60 C61 L67 F71	K32-E58 VanDerWaalsContact CE-OE1 3.3Å; K32-E58 WeakPolarHBondContact CE-OE1 3.29Å; K32-E58 IonicContact NZ-OE1 2.72Å; K32-E58 PolarHBondContact NZ-OE1 2.72Å; E56-E58 PolarHBondContact O-N 3.26Å; E58-F60 PolarHBondContact O-N 3.02Å; E58-F60 VanDerWaalsContact O-N 3.14Å; E58-C61 PolarHBondContact O-N 2.99Å; E58-L67 HydrophobicContact CG-CD1 4.12Å; E58-L67 HydrophobicContact CG-CD2 4.4Å; E58-F71 WeakPolarHBondContact OE1-CZ 3.44Å
59	D	95.1	Very high	94.7	Very high	67 Å²	67	53 Å²	53	36%	0.358	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.9	-11.6	180	-63.2	-33.6	0	0	0	113	N55 E56 F57 C61	N55-D59 WeakPolarHBondContact CA-OD2 3.28Å; N55-D59 HydrophobicContact CB-CB 4.49Å; E56-D59 PolarHBondContact N-OD2 3.07Å; E56-D59 WeakPolarHBondContact O-CB 3.14Å; E56-D59 PolarHBondContact O-N 3.46Å; F57-D59 PolarHBondContact O-N 2.99Å; D59-C61 VanDerWaalsContact C-N 3.33Å
60	F	95.3	Very high	95	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-89.8	5.7	177.2	-51.7	-43.7	0	0	0	113.7	N55 F57 E58 L62 P78 I86 P87 L90	N55-F60 HydrophobicContact CB-CE1 4.22Å; N55-F60 HydrophobicContact CB-CZ 4.25Å; F57-F60 HydrophobicContact CD1-CD2 4.17Å; F57-F60 AromaticContact CD1-CE2 4Å; F57-F60 HydrophobicContact CD1-CE2 4Å; F57-F60 PolarHBondContact O-N 3.2Å; E58-F60 PolarHBondContact O-N 3.02Å; E58-F60 VanDerWaalsContact O-N 3.14Å; F60-L62 VanDerWaalsContact C-N 3.26Å; F60-L62 HydrophobicContact CB-CD1 4.4Å; F60-L62 HydrophobicContact CB-CD2 4.15Å; F60-L62 HydrophobicContact CB-CG 3.95Å; F60-L62 PolarHBondContact O-N 3.22Å; F60-P78 HydrophobicContact CE2-CB 3.93Å; F60-P78 HydrophobicContact CE2-CG 3.88Å; F60-P78 HydrophobicContact CZ-CB 4.16Å; F60-P78 HydrophobicContact CZ-CG 3.89Å; F60-I86 HydrophobicContact CB-CG2 4.07Å; F60-I86 HydrophobicContact CD1-CG2 4.46Å; F60-I86 HydrophobicContact CD2-CB 4.37Å; F60-I86 HydrophobicContact CD2-CD1 4.17Å; F60-I86 HydrophobicContact CD2-CG2 3.85Å; F60-I86 HydrophobicContact CE2-CB 4.49Å; F60-I86 HydrophobicContact CE2-CD1 3.97Å; F60-I86 HydrophobicContact CE2-CG2 4.45Å; F60-I86 HydrophobicContact CG-CG2 3.87Å; F60-P87 HydrophobicContact CD1-CG 3.8Å; F60-P87 HydrophobicContact CE1-CG 3.81Å; F60-L90 HydrophobicContact CB-CD1 4.36Å
61	C	93.7	Very high	95.1	Very high	84 Å²	84	49.5 Å²	49.5	57%	0.568	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	39.3	179.6	-56.1	0	0	0	0	113.5	E58 D59	E58-C61 PolarHBondContact O-N 2.99Å; D59-C61 VanDerWaalsContact C-N 3.33Å
62	L	96.8	Very high	95.3	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.073	23%	0.229	C	C	.	.			trans	-73.5	154.2	179.6	-57	175.4	0	0	0	111.4	F60 R64 L66 L67 I70 L90 I111 E115	F60-L62 VanDerWaalsContact C-N 3.26Å; F60-L62 HydrophobicContact CB-CD1 4.4Å; F60-L62 HydrophobicContact CB-CD2 4.15Å; F60-L62 HydrophobicContact CB-CG 3.95Å; F60-L62 PolarHBondContact O-N 3.22Å; L62-R64 PolarHBondContact O-N 3.4Å; L62-L66 HydrophobicContact CB-CD2 4.41Å; L62-L66 HydrophobicContact CD1-CD2 4.47Å; L62-L66 HydrophobicContact CD2-CD2 4.29Å; L62-L67 HydrophobicContact CB-CD2 4.12Å; L62-L67 HydrophobicContact CB-CG 4.06Å; L62-L67 HydrophobicContact CD1-CD2 4Å; L62-I70 HydrophobicContact CD1-CD1 3.82Å; L62-L90 HydrophobicContact CD2-CD1 4.05Å; L62-I111 HydrophobicContact CD1-CG2 3.62Å; L62-I111 HydrophobicContact CD2-CG2 3.93Å; L62-I111 HydrophobicContact CG-CG2 4.45Å; L62-E115 HydrophobicContact CD2-CB 4.27Å; L62-E115 HydrophobicContact CD2-CG 4.06Å
63	K	96.6	Very high	95.4	Very high	77 Å²	77	45.6 Å²	45.6	34%	0.335	23%	0.228	S	C	.	.			trans	-52.9	137.8	168.9	-75.6	159.5	-173.5	167.3	0	110.4	E65 L66 L67 E115 L150	K63-E65 PolarHBondContact O-N 3.15Å; K63-L66 HydrophobicContact CB-CB 4.25Å; K63-L66 WeakPolarHBondContact O-CA 3.35Å; K63-L66 WeakPolarHBondContact O-CB 3.44Å; K63-L66 PolarHBondContact O-N 3.1Å; K63-L67 PolarHBondContact O-N 2.61Å; K63-E115 WeakPolarHBondContact CB-OE2 3.41Å; K63-E115 WeakPolarHBondContact CD-OE1 3.38Å; K63-E115 WeakPolarHBondContact CE-OE1 3.47Å; K63-E115 VanDerWaalsContact CG-OE1 3.31Å; K63-E115 WeakPolarHBondContact CG-OE1 3.29Å; K63-E115 WeakPolarHBondContact CG-OE2 3.36Å; K63-E115 PolarHBondContact N-OE2 3.32Å; K63-E115 PolarHBondContact NZ-O 3.39Å; K63-E115 IonicContact NZ-OE1 3.35Å; K63-L150 HydrophobicContact CB-CD2 4.17Å; K63-L150 HydrophobicContact CD-CD2 3.83Å
64	R	95.9	Very high	95.4	Very high	133 Å²	133	40.5 Å²	40.5	50%	0.502	22%	0.216	S	C	.	.	H	α-helix	trans	-54.4	-40.8	176.5	175.5	177.7	149	177.1	-6.5	111.6	W31 L62 L66 L67 M68	W31-R64 HydrophobicContact CD2-CG 3.97Å; W31-R64 HydrophobicContact CE3-CG 4.15Å; W31-R64 HydrophobicContact CG-CG 4.28Å; L62-R64 PolarHBondContact O-N 3.4Å; R64-L66 VanDerWaalsContact C-N 3.27Å; R64-L66 PolarHBondContact O-N 3.1Å; R64-L67 PolarHBondContact O-N 2.89Å; R64-M68 HydrophobicContact CG-SD 4.36Å; R64-M68 VanDerWaalsContact O-CG 3.29Å; R64-M68 WeakPolarHBondContact O-CG 3.41Å; R64-M68 PolarHBondContact O-N 3.34Å
65	E	96.3	Very high	95.5	Very high	85 Å²	85	40.2 Å²	40.2	40%	0.397	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-35.1	177.8	-64.3	81.6	-178.7	0	0	112.2	K63 G69 H149 L150	K63-E65 PolarHBondContact O-N 3.15Å; E65-G69 PolarHBondContact O-N 3.28Å; E65-H149 HydrophobicContact CB-CB 3.74Å; E65-H149 HydrophobicContact CG-CB 4.23Å; E65-H149 WeakPolarHBondContact O-CB 3.35Å; E65-L150 HydrophobicContact CB-CD2 3.71Å; E65-L150 HydrophobicContact CB-CG 4.2Å
66	L	97.7	Very high	95.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.5	-45.1	174.7	-178.5	50.8	0	0	0	110.9	L62 K63 R64 M68 G69 I70 I111 L114 E115 L146 L150	L62-L66 HydrophobicContact CB-CD2 4.41Å; L62-L66 HydrophobicContact CD1-CD2 4.47Å; L62-L66 HydrophobicContact CD2-CD2 4.29Å; K63-L66 HydrophobicContact CB-CB 4.25Å; K63-L66 WeakPolarHBondContact O-CA 3.35Å; K63-L66 WeakPolarHBondContact O-CB 3.44Å; K63-L66 PolarHBondContact O-N 3.1Å; R64-L66 VanDerWaalsContact C-N 3.27Å; R64-L66 PolarHBondContact O-N 3.1Å; L66-M68 PolarHBondContact O-N 3.25Å; L66-G69 PolarHBondContact O-N 2.98Å; L66-I70 HydrophobicContact CD1-CD1 4.3Å; L66-I70 HydrophobicContact CD1-CG1 4.37Å; L66-I70 HydrophobicContact CG-CD1 4.01Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.23Å; L66-I111 HydrophobicContact CD2-CG2 4.09Å; L66-L114 HydrophobicContact CD1-CB 4.14Å; L66-L114 HydrophobicContact CD1-CD1 4.19Å; L66-L114 HydrophobicContact CD2-CB 4.43Å; L66-E115 HydrophobicContact CD2-CB 3.84Å; L66-L146 HydrophobicContact CD1-CB 4.42Å; L66-L150 HydrophobicContact CB-CD1 3.97Å; L66-L150 HydrophobicContact CB-CD2 4.3Å; L66-L150 HydrophobicContact CB-CG 4.43Å; L66-L150 HydrophobicContact CD1-CD1 3.92Å; L66-L150 HydrophobicContact CG-CD1 4.35Å
67	L	97	Very high	95.3	Very high	13 Å²	13	43 Å²	43	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-37.9	175.2	-66.4	168.6	0	0	0	111.7	W31 F57 E58 L62 K63 R64 G69 I70 F71	W31-L67 HydrophobicContact CH2-CB 3.58Å; W31-L67 HydrophobicContact CH2-CD1 4.38Å; W31-L67 HydrophobicContact CZ2-CB 4.39Å; W31-L67 HydrophobicContact CZ2-CD1 4.42Å; W31-L67 HydrophobicContact CZ3-CB 4.16Å; F57-L67 HydrophobicContact CB-CD2 3.84Å; E58-L67 HydrophobicContact CG-CD1 4.12Å; E58-L67 HydrophobicContact CG-CD2 4.4Å; L62-L67 HydrophobicContact CB-CD2 4.12Å; L62-L67 HydrophobicContact CB-CG 4.06Å; L62-L67 HydrophobicContact CD1-CD2 4Å; K63-L67 PolarHBondContact O-N 2.61Å; R64-L67 PolarHBondContact O-N 2.89Å; L67-G69 PolarHBondContact O-N 3.48Å; L67-I70 HydrophobicContact CD2-CD1 4.47Å; L67-I70 PolarHBondContact O-N 3.17Å; L67-F71 HydrophobicContact CB-CE2 4.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.49Å; L67-F71 WeakPolarHBondContact O-CG 3.45Å; L67-F71 PolarHBondContact O-N 3.45Å
68	M	96.2	Very high	95.3	Very high	28 Å²	28	43.1 Å²	43.1	14%	0.138	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-48.1	172.2	-71.2	171.5	69.1	0	0	111.8	W31 I35 R64 L66 F71 E72 H149	W31-M68 HydrophobicContact CE3-CG 3.3Å; W31-M68 HydrophobicContact CE3-SD 4.19Å; W31-M68 HydrophobicContact CZ3-CB 4.23Å; W31-M68 HydrophobicContact CZ3-CG 3.36Å; I35-M68 HydrophobicContact CD1-CB 4.45Å; I35-M68 HydrophobicContact CD1-CG 4.01Å; I35-M68 HydrophobicContact CG1-CG 4.25Å; R64-M68 HydrophobicContact CG-SD 4.36Å; R64-M68 VanDerWaalsContact O-CG 3.29Å; R64-M68 WeakPolarHBondContact O-CG 3.41Å; R64-M68 PolarHBondContact O-N 3.34Å; L66-M68 PolarHBondContact O-N 3.25Å; M68-F71 PolarHBondContact O-N 3.49Å; M68-E72 WeakPolarHBondContact O-CB 3.33Å; M68-E72 VanDerWaalsContact O-CG 3.3Å; M68-E72 WeakPolarHBondContact O-CG 3.4Å; M68-E72 PolarHBondContact O-N 3.45Å; M68-H149 VanDerWaalsContact CB-CD2 3.45Å; M68-H149 WeakPolarHBondContact CB-CD2 3.34Å
69	G	97	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-40.1	177	0	0	0	0	0	113.2	E65 L66 L67 K73	E65-G69 PolarHBondContact O-N 3.28Å; L66-G69 PolarHBondContact O-N 2.98Å; L67-G69 PolarHBondContact O-N 3.48Å; G69-K73 WeakPolarHBondContact O-CB 3.37Å; G69-K73 PolarHBondContact O-N 3.45Å
70	I	97	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-48.6	176.5	-68.5	167.3	0	0	0	110.8	F57 L62 L66 L67 K73 G74 W75 I111 L146	F57-I70 HydrophobicContact CD1-CD1 4.36Å; F57-I70 HydrophobicContact CD1-CG2 4.42Å; F57-I70 HydrophobicContact CD2-CG2 3.68Å; F57-I70 HydrophobicContact CE1-CG2 4.49Å; F57-I70 HydrophobicContact CE2-CG2 3.75Å; F57-I70 HydrophobicContact CG-CG2 4.03Å; F57-I70 HydrophobicContact CZ-CG2 4.17Å; L62-I70 HydrophobicContact CD1-CD1 3.82Å; L66-I70 HydrophobicContact CD1-CD1 4.3Å; L66-I70 HydrophobicContact CD1-CG1 4.37Å; L66-I70 HydrophobicContact CG-CD1 4.01Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.23Å; L67-I70 HydrophobicContact CD2-CD1 4.47Å; L67-I70 PolarHBondContact O-N 3.17Å; I70-K73 WeakPolarHBondContact O-CB 3.45Å; I70-K73 PolarHBondContact O-N 2.89Å; I70-G74 PolarHBondContact O-N 2.9Å; I70-W75 HydrophobicContact CG2-CB 3.88Å; I70-W75 PolarHBondContact O-N 3.36Å; I70-I111 HydrophobicContact CD1-CD1 3.92Å; I70-I111 HydrophobicContact CD1-CG1 4.08Å; I70-I111 HydrophobicContact CD1-CG2 4.3Å; I70-I111 HydrophobicContact CG1-CD1 4.32Å; I70-I111 HydrophobicContact CG1-CG1 4.42Å; I70-L146 HydrophobicContact CB-CD2 4.47Å; I70-L146 HydrophobicContact CG1-CD2 3.91Å
71	F	95.6	Very high	95.5	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.039	19%	0.189	C	C	.	.	H	α-helix	trans	-74.5	-34.9	-178.8	-65.6	-43.4	0	0	0	113.7	W31 I35 F57 E58 L67 M68 K73 G74 W75	W31-F71 AromaticContact CH2-CD2 3.74Å; W31-F71 HydrophobicContact CH2-CD2 3.74Å; W31-F71 AromaticContact CH2-CE2 3.72Å; W31-F71 HydrophobicContact CH2-CE2 3.72Å; W31-F71 HydrophobicContact CZ2-CE2 4.5Å; W31-F71 HydrophobicContact CZ3-CD2 4.13Å; I35-F71 HydrophobicContact CG2-CB 4.3Å; F57-F71 HydrophobicContact CD2-CE1 4.45Å; E58-F71 WeakPolarHBondContact OE1-CZ 3.44Å; L67-F71 HydrophobicContact CB-CE2 4.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.49Å; L67-F71 WeakPolarHBondContact O-CG 3.45Å; L67-F71 PolarHBondContact O-N 3.45Å; M68-F71 PolarHBondContact O-N 3.49Å; F71-K73 PolarHBondContact O-N 3.33Å; F71-G74 PolarHBondContact O-N 3.16Å; F71-W75 VanDerWaalsContact CD1-O 3.28Å; F71-W75 WeakPolarHBondContact CD1-O 3.46Å
72	E	95.4	Very high	95.7	Very high	39 Å²	39	33.7 Å²	33.7	18%	0.182	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-27.9	170.3	-73.4	-171.9	138.5	0	0	112.2	I35 P38 M68 G74 K148 H149	I35-E72 HydrophobicContact CB-CG 4.49Å; I35-E72 HydrophobicContact CG2-CB 4.4Å; I35-E72 HydrophobicContact CG2-CG 3.38Å; P38-E72 WeakPolarHBondContact CD-O 3.44Å; M68-E72 WeakPolarHBondContact O-CB 3.33Å; M68-E72 VanDerWaalsContact O-CG 3.3Å; M68-E72 WeakPolarHBondContact O-CG 3.4Å; M68-E72 PolarHBondContact O-N 3.45Å; E72-G74 PolarHBondContact O-N 2.96Å; E72-K148 IonicContact OE1-NZ 2.97Å; E72-K148 PolarHBondContact OE1-NZ 3.29Å; E72-K148 VanDerWaalsContact OE2-CD 3.31Å; E72-K148 WeakPolarHBondContact OE2-CD 3.47Å; E72-K148 WeakPolarHBondContact OE2-CE 3.44Å; E72-K148 IonicContact OE2-NZ 3.08Å; E72-K148 PolarHBondContact OE2-NZ 3.18Å; E72-H149 IonicContact OE1-NE2 2.86Å; E72-H149 IonicContact OE2-CD2 2.65Å; E72-H149 IonicContact OE2-CE1 2.89Å; E72-H149 IonicContact OE2-NE2 3.93Å; E72-H149 PolarHBondContact OE2-NE2 2.69Å
73	K	94.3	Very high	95.7	Very high	67 Å²	67	33.6 Å²	33.6	29%	0.291	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.7	172.1	-175	58.4	-175.3	173.2	0	112.8	G69 I70 F71 W75 E145 L146	G69-K73 WeakPolarHBondContact O-CB 3.37Å; G69-K73 PolarHBondContact O-N 3.45Å; I70-K73 WeakPolarHBondContact O-CB 3.45Å; I70-K73 PolarHBondContact O-N 2.89Å; F71-K73 PolarHBondContact O-N 3.33Å; K73-W75 HydrophobicContact CG-CD2 4.17Å; K73-W75 HydrophobicContact CG-CG 4.32Å; K73-W75 HydrophobicContact CG-CZ2 4.26Å; K73-E145 HydrophobicContact CD-CB 4.28Å; K73-E145 WeakPolarHBondContact CD-OE2 3.37Å; K73-E145 WeakPolarHBondContact CE-OE2 3.41Å; K73-E145 IonicContact NZ-OE1 3.71Å; K73-E145 IonicContact NZ-OE2 2.83Å; K73-E145 PolarHBondContact NZ-OE2 3.12Å; K73-L146 HydrophobicContact CB-CD2 4.22Å; K73-L146 HydrophobicContact CG-CD2 4.39Å
74	G	93	Very high	95.7	Very high	36 Å²	36	30.9 Å²	30.9	37%	0.371	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	19.9	-177.1	0	0	0	0	0	114.1	I70 F71 E72	I70-G74 PolarHBondContact O-N 2.9Å; F71-G74 PolarHBondContact O-N 3.16Å; E72-G74 PolarHBondContact O-N 2.96Å
75	W	94.2	Very high	95.8	Very high	41 Å²	41	24.6 Å²	24.6	16%	0.155	13%	0.13	C	C	.	.			trans	-90.3	106.4	173.5	-64.9	-4.6	0	0	0	108.7	F57 I70 F71 K73 I111 I142 L146	F57-W75 HydrophobicContact CE2-CB 4.03Å; F57-W75 HydrophobicContact CZ-CB 4.33Å; I70-W75 HydrophobicContact CG2-CB 3.88Å; I70-W75 PolarHBondContact O-N 3.36Å; F71-W75 VanDerWaalsContact CD1-O 3.28Å; F71-W75 WeakPolarHBondContact CD1-O 3.46Å; K73-W75 HydrophobicContact CG-CD2 4.17Å; K73-W75 HydrophobicContact CG-CG 4.32Å; K73-W75 HydrophobicContact CG-CZ2 4.26Å; W75-I111 HydrophobicContact CE3-CD1 4.4Å; W75-I111 HydrophobicContact CZ3-CD1 4.23Å; W75-I142 HydrophobicContact CH2-CG2 3.74Å; W75-I142 HydrophobicContact CZ2-CG2 4.17Å; W75-L146 HydrophobicContact CE3-CD2 3.9Å; W75-L146 HydrophobicContact CH2-CD1 3.9Å; W75-L146 HydrophobicContact CH2-CD2 4.24Å; W75-L146 HydrophobicContact CH2-CG 4.46Å; W75-L146 HydrophobicContact CZ3-CD1 3.65Å; W75-L146 HydrophobicContact CZ3-CD2 3.71Å; W75-L146 HydrophobicContact CZ3-CG 4.23Å
76	E	90.2	Very high	95.9	Very high	61 Å²	61	20.5 Å²	20.5	29%	0.285	11%	0.111	S	C	.	.			trans	-81.9	-55.5	-176.8	-61.3	-178	157.2	0	0	111	K40 F57	K40-E76 VanDerWaalsContact CD-OE1 3.26Å; K40-E76 WeakPolarHBondContact CD-OE1 3.25Å; K40-E76 WeakPolarHBondContact CE-OE2 3.04Å; K40-E76 WeakPolarHBondContact CG-OE1 3.49Å; K40-E76 IonicContact NZ-OE2 3.43Å; F57-E76 WeakPolarHBondContact CD2-O 3.48Å
77	N	93.5	Very high	95.9	Very high	84 Å²	84	21.6 Å²	21.6	45%	0.449	12%	0.118	S	C	.	.	S	Bend	trans	-127.4	148.4	-174.1	-57.8	27.9	0	0	0	109.6	E56	E56-N77 PolarHBondContact OE1-ND2 2.66Å; E56-N77 PolarHBondContact OE2-ND2 3.07Å; E56-N77 PolarHBondContact OE2-OD1 2.76Å
78	P	96.7	Very high	95.9	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.013	12%	0.117	C	C	.	.			trans	-67.1	140	177.9	27.6	-34.4	0	0	0	111.4	T52 N55 F57 F60 Q82 E83	T52-P78 WeakPolarHBondContact CG2-O 3.44Å; N55-P78 VanDerWaalsContact O-CD 3.26Å; N55-P78 WeakPolarHBondContact O-CD 3.14Å; N55-P78 WeakPolarHBondContact O-CG 3.46Å; F57-P78 HydrophobicContact CD1-CB 4.18Å; F57-P78 HydrophobicContact CE1-CB 3.74Å; F57-P78 HydrophobicContact CZ-CB 3.95Å; F60-P78 HydrophobicContact CE2-CB 3.93Å; F60-P78 HydrophobicContact CE2-CG 3.88Å; F60-P78 HydrophobicContact CZ-CB 4.16Å; F60-P78 HydrophobicContact CZ-CG 3.89Å; P78-Q82 HydrophobicContact CB-CB 3.88Å; P78-E83 HydrophobicContact CB-CB 4.38Å; P78-E83 HydrophobicContact CG-CB 4.45Å
79	S	96.1	Very high	95.9	Very high	1 Å²	1	20 Å²	20	1%	0.007	11%	0.111	C	C	.	.			trans	-72.2	165.5	168.3	76.6	0	0	0	0	111.4	I81 Q82 E83 T103	S79-I81 PolarHBondContact O-N 3.35Å; S79-I81 VanDerWaalsContact O-N 3.12Å; S79-I81 VanDerWaalsContact OG-CG2 3.3Å; S79-I81 WeakPolarHBondContact OG-CG2 3.36Å; S79-Q82 CarbonylContact O-C 3.6Å; S79-Q82 WeakPolarHBondContact O-CA 3.45Å; S79-Q82 WeakPolarHBondContact O-CB 3.49Å; S79-Q82 PolarHBondContact O-N 3.07Å; S79-Q82 WeakPolarHBondContact OG-CG 3.41Å; S79-E83 PolarHBondContact O-N 3.49Å; S79-T103 VanDerWaalsContact CB-O 3.26Å; S79-T103 WeakPolarHBondContact CB-O 3.07Å; S79-T103 PolarHBondContact OG-O 2.82Å
80	P	96.2	Very high	95.9	Very high	14 Å²	14	21.4 Å²	21.4	9%	0.091	12%	0.118	C	C	.	.	H	α-helix	trans	-56.8	-34.9	-178.2	-27.5	36.1	0	0	0	113.3	V49 R51 T52 A84 L258	V49-P80 WeakPolarHBondContact O-CD 3.41Å; R51-P80 VanDerWaalsContact O-CG 3.29Å; R51-P80 WeakPolarHBondContact O-CG 3.4Å; T52-P80 HydrophobicContact CG2-CG 4.01Å; P80-A84 WeakPolarHBondContact O-CB 3.17Å; P80-A84 PolarHBondContact O-N 3.43Å; P80-L258 HydrophobicContact CB-CD1 4.1Å
81	I	96.4	Very high	95.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-71.6	-34.5	175.5	-173.8	56.5	0	0	0	112.2	S79 S85 A97 A99 T103 A108 Y234 I256 L258	S79-I81 PolarHBondContact O-N 3.35Å; S79-I81 VanDerWaalsContact O-N 3.12Å; S79-I81 VanDerWaalsContact OG-CG2 3.3Å; S79-I81 WeakPolarHBondContact OG-CG2 3.36Å; I81-S85 VanDerWaalsContact O-CB 3.25Å; I81-S85 WeakPolarHBondContact O-CB 3.35Å; I81-S85 PolarHBondContact O-N 3.04Å; I81-S85 VanDerWaalsContact O-N 3.15Å; I81-S85 PolarHBondContact O-OG 2.92Å; I81-A97 HydrophobicContact CD1-CB 3.92Å; I81-A99 HydrophobicContact CB-CB 4.18Å; I81-A99 HydrophobicContact CD1-CB 4.02Å; I81-A99 HydrophobicContact CG1-CB 3.87Å; I81-T103 VanDerWaalsContact CG2-O 3.3Å; I81-T103 WeakPolarHBondContact CG2-O 3.14Å; I81-A108 HydrophobicContact CG1-CB 4.25Å; I81-Y234 HydrophobicContact CD1-CE1 4.33Å; I81-Y234 HydrophobicContact CG1-CE1 4.26Å; I81-I256 HydrophobicContact CD1-CG2 3.84Å; I81-L258 VanDerWaalsContact CA-CD1 3.4Å; I81-L258 HydrophobicContact CB-CD1 3.76Å; I81-L258 HydrophobicContact CD1-CD1 3.89Å; I81-L258 HydrophobicContact CG1-CD1 4.42Å
82	Q	97.7	Very high	95.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	14%	0.135	C	C	.	.	H	α-helix	trans	-69.5	-50.3	175.3	-67	169.4	-8.8	0	0	110.1	P78 S79 A84 S85 I86 G104 A108	P78-Q82 HydrophobicContact CB-CB 3.88Å; S79-Q82 CarbonylContact O-C 3.6Å; S79-Q82 WeakPolarHBondContact O-CA 3.45Å; S79-Q82 WeakPolarHBondContact O-CB 3.49Å; S79-Q82 PolarHBondContact O-N 3.07Å; S79-Q82 WeakPolarHBondContact OG-CG 3.41Å; Q82-A84 VanDerWaalsContact C-N 3.3Å; Q82-A84 PolarHBondContact O-N 3.38Å; Q82-S85 PolarHBondContact O-N 2.77Å; Q82-I86 HydrophobicContact CB-CD1 3.81Å; Q82-I86 HydrophobicContact CB-CG1 4.49Å; Q82-I86 WeakPolarHBondContact O-CB 3.32Å; Q82-I86 WeakPolarHBondContact O-CG1 3.3Å; Q82-I86 PolarHBondContact O-N 3.34Å; Q82-G104 WeakPolarHBondContact CG-O 3.32Å; Q82-G104 PolarHBondContact NE2-O 2.82Å; Q82-A108 HydrophobicContact CG-CB 3.95Å
83	E	97.4	Very high	95.9	Very high	11 Å²	11	25 Å²	25	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-40.1	177.5	-175.8	-173.9	-117.4	0	0	112.6	T52 K53 G54 N55 P78 S79 P87	T52-E83 WeakPolarHBondContact CA-OE2 3.46Å; K53-E83 WeakPolarHBondContact CA-OE1 3.47Å; K53-E83 WeakPolarHBondContact CB-OE1 3.41Å; K53-E83 PolarHBondContact N-OE1 2.88Å; K53-E83 PolarHBondContact N-OE2 2.64Å; G54-E83 PolarHBondContact N-OE1 2.94Å; N55-E83 HydrophobicContact CB-CG 4.06Å; N55-E83 WeakPolarHBondContact CB-OE1 3.4Å; N55-E83 PolarHBondContact N-OE1 2.67Å; N55-E83 VanDerWaalsContact N-OE1 3.08Å; P78-E83 HydrophobicContact CB-CB 4.38Å; P78-E83 HydrophobicContact CG-CB 4.45Å; S79-E83 PolarHBondContact O-N 3.49Å; E83-P87 VanDerWaalsContact O-CD 3.31Å; E83-P87 WeakPolarHBondContact O-CD 3.41Å
84	A	96.5	Very high	96	Very high	21 Å²	21	22.6 Å²	22.6	17%	0.174	13%	0.134	C	C	.	.	H	α-helix	trans	-75.8	-29.6	179.9	0	0	0	0	0	113.7	P80 Q82 I256	P80-A84 WeakPolarHBondContact O-CB 3.17Å; P80-A84 PolarHBondContact O-N 3.43Å; Q82-A84 VanDerWaalsContact C-N 3.3Å; Q82-A84 PolarHBondContact O-N 3.38Å; A84-I256 HydrophobicContact CB-CD1 4.26Å; A84-I256 HydrophobicContact CB-CG2 3.97Å; A84-I256 WeakPolarHBondContact O-CD1 3.36Å
85	S	97.5	Very high	96.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-103.3	-35	-170.6	64.4	0	0	0	0	114.4	I81 Q82 V88 A89 I95 A108 Y234	I81-S85 VanDerWaalsContact O-CB 3.25Å; I81-S85 WeakPolarHBondContact O-CB 3.35Å; I81-S85 PolarHBondContact O-N 3.04Å; I81-S85 VanDerWaalsContact O-N 3.15Å; I81-S85 PolarHBondContact O-OG 2.92Å; Q82-S85 PolarHBondContact O-N 2.77Å; S85-V88 PolarHBondContact O-N 3.23Å; S85-A89 VanDerWaalsContact O-CB 3.31Å; S85-A89 WeakPolarHBondContact O-CB 3.11Å; S85-A89 PolarHBondContact O-N 3.01Å; S85-I95 WeakPolarHBondContact O-CD1 3.44Å; S85-A108 WeakPolarHBondContact OG-CB 3.31Å; S85-Y234 PolarHBondContact OG-OH 2.92Å
86	I	98.3	Very high	96.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.6	-50.3	-175.3	-68.7	168	0	0	0	111.4	F57 F60 Q82 V88 A89 L90 I111	F57-I86 HydrophobicContact CE1-CD1 4.21Å; F60-I86 HydrophobicContact CB-CG2 4.07Å; F60-I86 HydrophobicContact CD1-CG2 4.46Å; F60-I86 HydrophobicContact CD2-CB 4.37Å; F60-I86 HydrophobicContact CD2-CD1 4.17Å; F60-I86 HydrophobicContact CD2-CG2 3.85Å; F60-I86 HydrophobicContact CE2-CB 4.49Å; F60-I86 HydrophobicContact CE2-CD1 3.97Å; F60-I86 HydrophobicContact CE2-CG2 4.45Å; F60-I86 HydrophobicContact CG-CG2 3.87Å; Q82-I86 HydrophobicContact CB-CD1 3.81Å; Q82-I86 HydrophobicContact CB-CG1 4.49Å; Q82-I86 WeakPolarHBondContact O-CB 3.32Å; Q82-I86 WeakPolarHBondContact O-CG1 3.3Å; Q82-I86 PolarHBondContact O-N 3.34Å; I86-V88 VanDerWaalsContact C-N 3.29Å; I86-V88 PolarHBondContact O-N 3.28Å; I86-A89 PolarHBondContact O-N 3.15Å; I86-A89 VanDerWaalsContact O-N 3.15Å; I86-L90 HydrophobicContact CG2-CD1 3.85Å; I86-L90 HydrophobicContact CG2-CG 4.29Å; I86-L90 VanDerWaalsContact O-CG 3.3Å; I86-L90 WeakPolarHBondContact O-CG 3.34Å; I86-L90 PolarHBondContact O-N 3.14Å; I86-I111 HydrophobicContact CD1-CB 4.31Å; I86-I111 HydrophobicContact CD1-CD1 3.9Å; I86-I111 HydrophobicContact CD1-CG2 4.22Å; I86-I111 HydrophobicContact CG2-CG2 4.36Å
87	P	97.1	Very high	96.6	Very high	22 Å²	22	16.8 Å²	16.8	14%	0.143	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-37.4	-179.5	-23.5	34.4	0	0	0	113.2	I6 F60 E83 S91	I6-P87 HydrophobicContact CD1-CB 4.13Å; I6-P87 HydrophobicContact CD1-CG 3.92Å; I6-P87 HydrophobicContact CG1-CB 4.26Å; I6-P87 HydrophobicContact CG2-CB 4.35Å; F60-P87 HydrophobicContact CD1-CG 3.8Å; F60-P87 HydrophobicContact CE1-CG 3.81Å; E83-P87 VanDerWaalsContact O-CD 3.31Å; E83-P87 WeakPolarHBondContact O-CD 3.41Å; P87-S91 PolarHBondContact O-N 3.38Å
88	V	96.8	Very high	96.6	Very high	8 Å²	8	15.8 Å²	15.8	5%	0.048	9%	0.089	C	C	.	.	H	α-helix	trans	-72.6	-35.9	178.9	-177.1	0	0	0	0	110.9	S85 I86 L90 S91 Q93 I95 Y254	S85-V88 PolarHBondContact O-N 3.23Å; I86-V88 VanDerWaalsContact C-N 3.29Å; I86-V88 PolarHBondContact O-N 3.28Å; V88-L90 VanDerWaalsContact C-N 3.35Å; V88-S91 PolarHBondContact O-N 3.37Å; V88-S91 PolarHBondContact O-OG 3.16Å; V88-Q93 HydrophobicContact CG1-CB 4.1Å; V88-I95 HydrophobicContact CB-CD1 3.91Å; V88-I95 HydrophobicContact CB-CG1 4.38Å; V88-I95 HydrophobicContact CG1-CD1 3.9Å; V88-I95 HydrophobicContact CG1-CG1 3.81Å; V88-Y254 HydrophobicContact CB-CD1 4.27Å; V88-Y254 HydrophobicContact CG1-CD1 3.81Å; V88-Y254 HydrophobicContact CG1-CD2 4.5Å; V88-Y254 HydrophobicContact CG1-CG 3.73Å; V88-Y254 HydrophobicContact CG2-CD1 3.79Å; V88-Y254 HydrophobicContact CG2-CE1 3.79Å; V88-Y254 HydrophobicContact CG2-CG 4.28Å
89	A	97.7	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.2	-37	178.8	0	0	0	0	0	110.9	S85 I86 S91 G92 I95 P112 Q230 M232	S85-A89 VanDerWaalsContact O-CB 3.31Å; S85-A89 WeakPolarHBondContact O-CB 3.11Å; S85-A89 PolarHBondContact O-N 3.01Å; I86-A89 PolarHBondContact O-N 3.15Å; I86-A89 VanDerWaalsContact O-N 3.15Å; A89-S91 VanDerWaalsContact C-N 3.31Å; A89-S91 PolarHBondContact O-N 2.99Å; A89-G92 PolarHBondContact O-N 2.86Å; A89-G92 VanDerWaalsContact O-N 3.12Å; A89-I95 HydrophobicContact CB-CD1 3.72Å; A89-P112 HydrophobicContact CB-CB 3.46Å; A89-P112 VanDerWaalsContact CB-CB 3.46Å; A89-P112 HydrophobicContact CB-CG 3.39Å; A89-Q230 PolarHBondContact O-NE2 3.21Å; A89-M232 HydrophobicContact CB-SD 3.62Å
90	L	97.6	Very high	96.1	Very high	29 Å²	29	16.3 Å²	16.3	15%	0.152	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-32.1	175.5	-71.1	172.8	0	0	0	112.6	F60 L62 I86 V88 G92 P112 E115 R116	F60-L90 HydrophobicContact CB-CD1 4.36Å; L62-L90 HydrophobicContact CD2-CD1 4.05Å; I86-L90 HydrophobicContact CG2-CD1 3.85Å; I86-L90 HydrophobicContact CG2-CG 4.29Å; I86-L90 VanDerWaalsContact O-CG 3.3Å; I86-L90 WeakPolarHBondContact O-CG 3.34Å; I86-L90 PolarHBondContact O-N 3.14Å; V88-L90 VanDerWaalsContact C-N 3.35Å; L90-G92 PolarHBondContact O-N 3.16Å; L90-P112 HydrophobicContact CD2-CB 3.9Å; L90-P112 HydrophobicContact CG-CB 4.09Å; L90-E115 HydrophobicContact CD2-CB 3.81Å; L90-E115 HydrophobicContact CD2-CG 3.58Å; L90-R116 HydrophobicContact CD2-CG 4.48Å
91	S	95.7	Very high	95.7	Very high	23 Å²	23	16 Å²	16	16%	0.161	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.2	174.4	77.3	0	0	0	0	113.8	P87 V88 A89 Q93	P87-S91 PolarHBondContact O-N 3.38Å; V88-S91 PolarHBondContact O-N 3.37Å; V88-S91 PolarHBondContact O-OG 3.16Å; A89-S91 VanDerWaalsContact C-N 3.31Å; A89-S91 PolarHBondContact O-N 2.99Å; S91-Q93 VanDerWaalsContact C-N 3.29Å; S91-Q93 PolarHBondContact O-N 3.25Å
92	G	95.2	Very high	95.1	Very high	24 Å²	24	16.2 Å²	16.2	25%	0.247	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	6	-177.9	0	0	0	0	0	114.7	A89 L90 Q230	A89-G92 PolarHBondContact O-N 2.86Å; A89-G92 VanDerWaalsContact O-N 3.12Å; L90-G92 PolarHBondContact O-N 3.16Å; G92-Q230 WeakPolarHBondContact O-CG 2.96Å
93	Q	95.8	Very high	94.8	Very high	78 Å²	78	16.4 Å²	16.4	36%	0.364	9%	0.094	S	C	.	.			trans	-70.8	143.6	176	-169.7	174.5	3.3	0	0	111.3	V88 S91 Q230	V88-Q93 HydrophobicContact CG1-CB 4.1Å; S91-Q93 VanDerWaalsContact C-N 3.29Å; S91-Q93 PolarHBondContact O-N 3.25Å; Q93-Q230 PolarHBondContact O-NE2 3.08Å
94	D	97.6	Very high	94.5	Very high	16 Å²	16	16.7 Å²	16.7	9%	0.086	10%	0.099	C	C	.	.			trans	-57.7	141.3	169.8	-81.5	-0.3	0	0	0	111	Q230 I231 M250 K251 P253 Y254	D94-Q230 WeakPolarHBondContact OD1-CA 3.42Å; D94-I231 CarbonylContact C-O 3.58Å; D94-I231 VanDerWaalsContact CA-O 3.24Å; D94-I231 WeakPolarHBondContact CA-O 3.3Å; D94-I231 PolarHBondContact OD1-N 2.97Å; D94-M250 HydrophobicContact CB-CE 3.74Å; D94-M250 WeakPolarHBondContact OD2-CA 3.37Å; D94-K251 PolarHBondContact OD2-N 2.93Å; D94-K251 VanDerWaalsContact OD2-N 3.15Å; D94-P253 HydrophobicContact CB-CB 3.92Å; D94-P253 CarbonylContact O-C 3.57Å; D94-P253 WeakPolarHBondContact O-CA 3.27Å; D94-Y254 PolarHBondContact O-N 2.88Å
95	I	97.8	Very high	94.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138	179.7	-65.7	179.5	0	0	0	110.6	S85 V88 A89 A97 I231 M232 L233 M250 I256	S85-I95 WeakPolarHBondContact O-CD1 3.44Å; V88-I95 HydrophobicContact CB-CD1 3.91Å; V88-I95 HydrophobicContact CB-CG1 4.38Å; V88-I95 HydrophobicContact CG1-CD1 3.9Å; V88-I95 HydrophobicContact CG1-CG1 3.81Å; A89-I95 HydrophobicContact CB-CD1 3.72Å; I95-A97 HydrophobicContact CG2-CB 3.98Å; I95-I231 PolarHBondContact N-O 3.27Å; I95-M232 HydrophobicContact CB-CB 4.25Å; I95-M232 HydrophobicContact CB-CG 4.16Å; I95-M232 HydrophobicContact CD1-SD 4.37Å; I95-M232 HydrophobicContact CG1-CG 4.46Å; I95-M232 CarbonylContact O-C 3.53Å; I95-M232 WeakPolarHBondContact O-CA 3.42Å; I95-L233 PolarHBondContact O-N 3.25Å; I95-M250 VanDerWaalsContact O-CE 3.27Å; I95-M250 WeakPolarHBondContact O-CE 3.25Å; I95-I256 HydrophobicContact CG2-CD1 4.02Å
96	M	95.9	Very high	94.4	Very high	16 Å²	16	17.3 Å²	17.3	8%	0.079	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	105.4	165.5	-177.2	-165.7	88	0	0	108.9	L233 F238 L242 L246 P253 Y254 Q255 I256	M96-L233 HydrophobicContact CG-CD2 4.48Å; M96-F238 HydrophobicContact CE-CD1 4.5Å; M96-F238 HydrophobicContact CE-CE1 3.69Å; M96-F238 HydrophobicContact CE-CZ 4.36Å; M96-F238 HydrophobicContact CG-CE1 3.72Å; M96-F238 HydrophobicContact CG-CZ 4.03Å; M96-F238 HydrophobicContact SD-CE1 3.64Å; M96-F238 HydrophobicContact SD-CZ 4.48Å; M96-L242 HydrophobicContact SD-CD2 4.36Å; M96-L246 HydrophobicContact CB-CD2 4.41Å; M96-L246 HydrophobicContact CG-CD2 4.07Å; M96-L246 HydrophobicContact SD-CD1 3.26Å; M96-L246 WeakPolarHBondContact SD-CD1 3.41Å; M96-L246 HydrophobicContact SD-CD2 3.8Å; M96-L246 HydrophobicContact SD-CG 4.15Å; M96-P253 HydrophobicContact CB-CB 4.16Å; M96-P253 HydrophobicContact CB-CG 4.31Å; M96-Y254 PolarHBondContact N-O 3.37Å; M96-Q255 HydrophobicContact CE-CB 3.9Å; M96-Q255 VanDerWaalsContact CE-CD 3.41Å; M96-Q255 HydrophobicContact CE-CG 3.55Å; M96-Q255 WeakPolarHBondContact O-CA 3.44Å; M96-Q255 HydrophobicContact SD-CG 4.41Å; M96-I256 PolarHBondContact O-N 3.42Å
97	A	95.8	Very high	94.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.3	-173.6	0	0	0	0	0	112.3	I81 I95 L233 Y234 S235 I256	I81-A97 HydrophobicContact CD1-CB 3.92Å; I95-A97 HydrophobicContact CG2-CB 3.98Å; A97-L233 PolarHBondContact N-O 3.43Å; A97-Y234 HydrophobicContact CB-CD1 3.46Å; A97-Y234 VanDerWaalsContact CB-CD1 3.46Å; A97-Y234 HydrophobicContact CB-CE1 3.57Å; A97-Y234 HydrophobicContact CB-CG 4.1Å; A97-Y234 WeakPolarHBondContact O-CA 3.37Å; A97-S235 PolarHBondContact O-N 2.94Å; A97-I256 CarbonylContact C-O 3.59Å; A97-I256 WeakPolarHBondContact CA-O 3.36Å; A97-I256 HydrophobicContact CB-CB 4.33Å
98	R	93.3	Very high	94.4	Very high	62 Å²	62	16.3 Å²	16.3	23%	0.234	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.7	168.9	-171.6	170	-169.8	-174.8	4	110.2	S235 F238 I256 N257 L258 M259	R98-S235 WeakPolarHBondContact CA-O 3.41Å; R98-F238 HydrophobicContact CB-CD2 4.09Å; R98-F238 HydrophobicContact CB-CE2 3.3Å; R98-F238 HydrophobicContact CB-CZ 3.74Å; R98-F238 VanDerWaalsContact CD-CD2 3.49Å; R98-F238 HydrophobicContact CG-CD2 3.75Å; R98-F238 HydrophobicContact CG-CE2 3.4Å; R98-F238 VanDerWaalsContact CG-CE2 3.4Å; R98-F238 HydrophobicContact CG-CZ 4.32Å; R98-I256 PolarHBondContact N-O 2.73Å; R98-N257 HydrophobicContact CB-CB 4.47Å; R98-L258 PolarHBondContact O-N 2.71Å; R98-M259 HydrophobicContact CG-CG 4.18Å; R98-M259 HydrophobicContact CG-SD 3.53Å; R98-M259 VanDerWaalsContact CG-SD 3.53Å
99	A	92.2	Very high	94.5	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.017	9%	0.091	C	C	.	.			trans	-148	147.6	178.7	0	0	0	0	0	112.1	I81 K105 S235 M259	I81-A99 HydrophobicContact CB-CB 4.18Å; I81-A99 HydrophobicContact CD1-CB 4.02Å; I81-A99 HydrophobicContact CG1-CB 3.87Å; A99-K105 HydrophobicContact CB-CD 4.1Å; A99-K105 HydrophobicContact CB-CG 4.1Å; A99-S235 PolarHBondContact N-O 3.29Å; A99-S235 VanDerWaalsContact N-O 3.16Å; A99-M259 VanDerWaalsContact CA-SD 3.57Å
100	K	90.3	Very high	94.5	Very high	12 Å²	12	15.9 Å²	15.9	5%	0.052	9%	0.091	C	C	.	.			trans	-58.7	157.4	178.9	-56.2	175.4	-179.4	-176.3	0	110.9	D48 T103 M259 E261 T263 L264	D48-K100 WeakPolarHBondContact OD1-CD 3.5Å; D48-K100 WeakPolarHBondContact OD1-CE 3.29Å; D48-K100 IonicContact OD1-NZ 3.61Å; D48-K100 PolarHBondContact OD1-NZ 2.92Å; D48-K100 IonicContact OD2-NZ 3.69Å; D48-K100 PolarHBondContact OD2-NZ 2.82Å; K100-T103 HydrophobicContact CB-CG2 3.73Å; K100-T103 PolarHBondContact O-OG1 2.97Å; K100-M259 HydrophobicContact CB-CE 4.23Å; K100-M259 HydrophobicContact CG-CE 3.5Å; K100-M259 VanDerWaalsContact CG-CE 3.5Å; K100-M259 HydrophobicContact CG-CG 3.97Å; K100-M259 HydrophobicContact CG-SD 4.14Å; K100-M259 PolarHBondContact N-SD 3.2Å; K100-M259 VanDerWaalsContact N-SD 3.39Å; K100-E261 WeakPolarHBondContact CE-O 3.42Å; K100-T263 WeakPolarHBondContact CD-O 3.37Å; K100-T263 WeakPolarHBondContact CE-O 3.47Å; K100-T263 PolarHBondContact NZ-O 3.13Å; K100-L264 HydrophobicContact CB-CD2 3.88Å; K100-L264 HydrophobicContact CB-CG 4.46Å; K100-L264 HydrophobicContact CD-CD2 4.08Å
101	N	86.3	Confident	94.6	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.037	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	140.6	175.1	-72.7	-29	0	0	0	110.9	T103 K105 L264 H378	N101-T103 PolarHBondContact O-N 3.27Å; N101-K105 PolarHBondContact OD1-NZ 2.84Å; N101-L264 WeakPolarHBondContact O-CD1 3.48Å; N101-L264 WeakPolarHBondContact O-CD2 3.47Å; N101-H378 PolarHBondContact ND2-ND1 2.77Å
102	G	85.2	Confident	94.7	Very high	8 Å²	8	13.5 Å²	13.5	8%	0.082	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	14.3	176.2	0	0	0	0	0	115.9	F386	G102-F386 VanDerWaalsContact O-CA 3.24Å; G102-F386 WeakPolarHBondContact O-CA 3.22Å; G102-F386 PolarHBondContact O-N 2.87Å
103	T	90.1	Very high	94.8	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.037	7%	0.066	C	C	.	.	S	Bend	trans	-91.9	6.3	179.1	55.8	0	0	0	0	114.7	D48 S79 I81 K100 N101 L264	D48-T103 HydrophobicContact CB-CG2 4.33Å; S79-T103 VanDerWaalsContact CB-O 3.26Å; S79-T103 WeakPolarHBondContact CB-O 3.07Å; S79-T103 PolarHBondContact OG-O 2.82Å; I81-T103 VanDerWaalsContact CG2-O 3.3Å; I81-T103 WeakPolarHBondContact CG2-O 3.14Å; K100-T103 HydrophobicContact CB-CG2 3.73Å; K100-T103 PolarHBondContact O-OG1 2.97Å; N101-T103 PolarHBondContact O-N 3.27Å; T103-L264 HydrophobicContact CG2-CD2 4.1Å
104	G	92.8	Very high	95	Very high	16 Å²	16	8.8 Å²	8.8	17%	0.165	5%	0.048	C	C	.	.	S	Bend	trans	97.7	19.8	178.9	0	0	0	0	0	115.8	Q82 T106 G107 A108	Q82-G104 WeakPolarHBondContact CG-O 3.32Å; Q82-G104 PolarHBondContact NE2-O 2.82Å; G104-T106 PolarHBondContact O-N 2.65Å; G104-T106 VanDerWaalsContact O-N 3.15Å; G104-G107 PolarHBondContact O-N 2.84Å; G104-G107 VanDerWaalsContact O-N 3.14Å; G104-A108 PolarHBondContact O-N 3.24Å
105	K	95	Very high	95	Very high	13 Å²	13	9.5 Å²	9.5	6%	0.057	5%	0.051	C	C	.	.	H	α-helix	trans	-49.1	-37.9	176	-63.9	-174	-64.9	-173.2	0	113.3	A99 N101 A108 Y109 E205 Y234	A99-K105 HydrophobicContact CB-CD 4.1Å; A99-K105 HydrophobicContact CB-CG 4.1Å; N101-K105 PolarHBondContact OD1-NZ 2.84Å; K105-A108 VanDerWaalsContact O-CB 3.3Å; K105-A108 WeakPolarHBondContact O-CB 3.26Å; K105-A108 PolarHBondContact O-N 2.86Å; K105-Y109 WeakPolarHBondContact O-CD1 3.21Å; K105-Y109 VanDerWaalsContact O-CE1 3.31Å; K105-Y109 WeakPolarHBondContact O-CE1 3.44Å; K105-Y109 PolarHBondContact O-N 3.41Å; K105-E205 IonicContact NZ-OE2 3.34Å; K105-E205 PolarHBondContact NZ-OE2 2.7Å; K105-Y234 HydrophobicContact CB-CD1 4.19Å; K105-Y234 HydrophobicContact CG-CD1 4.31Å
106	T	96.1	Very high	95	Very high	21 Å²	21	14.6 Å²	14.6	13%	0.129	7%	0.07	C	C	.	.	H	α-helix	trans	-61.1	-48.8	179.6	-53.6	0	0	0	0	112.4	G104 A108 Y109 S110 T139 I142	G104-T106 PolarHBondContact O-N 2.65Å; G104-T106 VanDerWaalsContact O-N 3.15Å; T106-A108 VanDerWaalsContact C-N 3.25Å; T106-A108 PolarHBondContact O-N 3.49Å; T106-Y109 HydrophobicContact CG2-CE2 4.07Å; T106-Y109 WeakPolarHBondContact O-CD2 3.26Å; T106-Y109 PolarHBondContact O-N 3.08Å; T106-Y109 PolarHBondContact OG1-OH 3.29Å; T106-S110 VanDerWaalsContact O-CB 3.23Å; T106-S110 WeakPolarHBondContact O-CB 3.08Å; T106-S110 PolarHBondContact O-N 3.46Å; T106-S110 PolarHBondContact O-OG 3.26Å; T106-T139 HydrophobicContact CG2-CG2 4.18Å; T106-I142 HydrophobicContact CG2-CB 4.21Å; T106-I142 HydrophobicContact CG2-CD1 3.84Å; T106-I142 HydrophobicContact CG2-CG2 3.86Å
107	G	97.2	Very high	95.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-36.7	175.3	0	0	0	0	0	112.7	G104 Y109 S110 I111	G104-G107 PolarHBondContact O-N 2.84Å; G104-G107 VanDerWaalsContact O-N 3.14Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 3.23Å; G107-S110 WeakPolarHBondContact CA-OG 3.24Å; G107-S110 PolarHBondContact O-N 2.92Å; G107-I111 WeakPolarHBondContact O-CB 3.29Å; G107-I111 WeakPolarHBondContact O-CD1 3.36Å; G107-I111 VanDerWaalsContact O-CG1 3.26Å; G107-I111 WeakPolarHBondContact O-CG1 3.23Å; G107-I111 PolarHBondContact O-N 2.94Å; G107-I111 VanDerWaalsContact O-N 3.09Å
108	A	97.8	Very high	95.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-35.9	-178.5	0	0	0	0	0	113.4	I81 Q82 S85 G104 K105 T106 P112 Y234	I81-A108 HydrophobicContact CG1-CB 4.25Å; Q82-A108 HydrophobicContact CG-CB 3.95Å; S85-A108 WeakPolarHBondContact OG-CB 3.31Å; G104-A108 PolarHBondContact O-N 3.24Å; K105-A108 VanDerWaalsContact O-CB 3.3Å; K105-A108 WeakPolarHBondContact O-CB 3.26Å; K105-A108 PolarHBondContact O-N 2.86Å; T106-A108 VanDerWaalsContact C-N 3.25Å; T106-A108 PolarHBondContact O-N 3.49Å; A108-P112 VanDerWaalsContact O-CD 3.31Å; A108-P112 WeakPolarHBondContact O-CD 3.26Å; A108-P112 VanDerWaalsContact O-CG 3.28Å; A108-P112 WeakPolarHBondContact O-CG 3.27Å; A108-Y234 HydrophobicContact CB-CE1 3.8Å; A108-Y234 PolarHBondContact O-OH 3.07Å
109	Y	98.4	Very high	95.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-98.9	-30.6	173.9	58.4	-109.4	0	0	0	114.1	K105 T106 G107 P112 I113 I128 T139 V202 D204 Y234	K105-Y109 WeakPolarHBondContact O-CD1 3.21Å; K105-Y109 VanDerWaalsContact O-CE1 3.31Å; K105-Y109 WeakPolarHBondContact O-CE1 3.44Å; K105-Y109 PolarHBondContact O-N 3.41Å; T106-Y109 HydrophobicContact CG2-CE2 4.07Å; T106-Y109 WeakPolarHBondContact O-CD2 3.26Å; T106-Y109 PolarHBondContact O-N 3.08Å; T106-Y109 PolarHBondContact OG1-OH 3.29Å; G107-Y109 VanDerWaalsContact C-N 3.3Å; G107-Y109 PolarHBondContact O-N 3.23Å; Y109-P112 WeakPolarHBondContact O-CD 3.26Å; Y109-P112 WeakPolarHBondContact O-CG 3.46Å; Y109-I113 HydrophobicContact CD2-CD1 4.49Å; Y109-I113 WeakPolarHBondContact O-CB 3.48Å; Y109-I113 WeakPolarHBondContact O-CD1 3.26Å; Y109-I113 VanDerWaalsContact O-CG1 3.25Å; Y109-I113 WeakPolarHBondContact O-CG1 3.3Å; Y109-I113 PolarHBondContact O-N 2.87Å; Y109-I128 HydrophobicContact CD2-CD1 4.04Å; Y109-I128 HydrophobicContact CD2-CG1 4.43Å; Y109-I128 HydrophobicContact CE2-CD1 3.87Å; Y109-I128 HydrophobicContact CE2-CG1 4.4Å; Y109-I128 HydrophobicContact CE2-CG2 4.1Å; Y109-T139 HydrophobicContact CE2-CG2 4Å; Y109-V202 HydrophobicContact CD1-CG1 3.84Å; Y109-V202 HydrophobicContact CD2-CG1 4.03Å; Y109-V202 HydrophobicContact CD2-CG2 4.31Å; Y109-V202 HydrophobicContact CE1-CG1 4.18Å; Y109-V202 HydrophobicContact CE2-CG1 4.4Å; Y109-V202 HydrophobicContact CG-CG1 3.76Å; Y109-V202 HydrophobicContact CG-CG2 4.2Å; Y109-D204 HydrophobicContact CE1-CB 3.97Å; Y109-D204 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D204 PolarHBondContact OH-OD2 3.19Å; Y109-Y234 AromaticContact CD1-CD2 3.69Å; Y109-Y234 HydrophobicContact CD1-CD2 3.69Å; Y109-Y234 AromaticContact CD1-CE2 3.81Å; Y109-Y234 HydrophobicContact CD1-CE2 3.81Å; Y109-Y234 HydrophobicContact CD1-CG 4.1Å; Y109-Y234 HydrophobicContact CG-CD2 4.44Å; Y109-Y234 HydrophobicContact CG-CE2 4.19Å
110	S	98.5	Very high	95.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-73.1	-38.5	-174.4	66.3	0	0	0	0	112	T106 G107 I113 L114 L146	T106-S110 VanDerWaalsContact O-CB 3.23Å; T106-S110 WeakPolarHBondContact O-CB 3.08Å; T106-S110 PolarHBondContact O-N 3.46Å; T106-S110 PolarHBondContact O-OG 3.26Å; G107-S110 WeakPolarHBondContact CA-OG 3.24Å; G107-S110 PolarHBondContact O-N 2.92Å; S110-I113 PolarHBondContact O-N 2.81Å; S110-L114 WeakPolarHBondContact O-CB 3.45Å; S110-L114 WeakPolarHBondContact O-CG 3.41Å; S110-L114 PolarHBondContact O-N 3.49Å; S110-L146 WeakPolarHBondContact OG-CD1 3.45Å
111	I	98.7	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-56.3	178	-68.2	170.2	0	0	0	111.3	F57 L62 L66 I70 W75 I86 G107 I113 L114 E115 L146	F57-I111 HydrophobicContact CD1-CD1 4.16Å; F57-I111 HydrophobicContact CE1-CD1 3.6Å; F57-I111 HydrophobicContact CZ-CD1 4.4Å; L62-I111 HydrophobicContact CD1-CG2 3.62Å; L62-I111 HydrophobicContact CD2-CG2 3.93Å; L62-I111 HydrophobicContact CG-CG2 4.45Å; L66-I111 HydrophobicContact CD2-CG2 4.09Å; I70-I111 HydrophobicContact CD1-CD1 3.92Å; I70-I111 HydrophobicContact CD1-CG1 4.08Å; I70-I111 HydrophobicContact CD1-CG2 4.3Å; I70-I111 HydrophobicContact CG1-CD1 4.32Å; I70-I111 HydrophobicContact CG1-CG1 4.42Å; W75-I111 HydrophobicContact CE3-CD1 4.4Å; W75-I111 HydrophobicContact CZ3-CD1 4.23Å; I86-I111 HydrophobicContact CD1-CB 4.31Å; I86-I111 HydrophobicContact CD1-CD1 3.9Å; I86-I111 HydrophobicContact CD1-CG2 4.22Å; I86-I111 HydrophobicContact CG2-CG2 4.36Å; G107-I111 WeakPolarHBondContact O-CB 3.29Å; G107-I111 WeakPolarHBondContact O-CD1 3.36Å; G107-I111 VanDerWaalsContact O-CG1 3.26Å; G107-I111 WeakPolarHBondContact O-CG1 3.23Å; G107-I111 PolarHBondContact O-N 2.94Å; G107-I111 VanDerWaalsContact O-N 3.09Å; I111-I113 VanDerWaalsContact C-N 3.31Å; I111-I113 PolarHBondContact O-N 2.89Å; I111-L114 PolarHBondContact O-N 3.12Å; I111-E115 WeakPolarHBondContact O-CB 3.2Å; I111-E115 PolarHBondContact O-N 3.23Å; I111-L146 HydrophobicContact CG1-CD1 4.32Å
112	P	98.4	Very high	96.4	Very high	2 Å²	2	35 Å²	35	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-30.7	-179.5	25.1	-35.3	0	0	0	113.1	A89 L90 A108 Y109 R116	A89-P112 HydrophobicContact CB-CB 3.46Å; A89-P112 VanDerWaalsContact CB-CB 3.46Å; A89-P112 HydrophobicContact CB-CG 3.39Å; L90-P112 HydrophobicContact CD2-CB 3.9Å; L90-P112 HydrophobicContact CG-CB 4.09Å; A108-P112 VanDerWaalsContact O-CD 3.31Å; A108-P112 WeakPolarHBondContact O-CD 3.26Å; A108-P112 VanDerWaalsContact O-CG 3.28Å; A108-P112 WeakPolarHBondContact O-CG 3.27Å; Y109-P112 WeakPolarHBondContact O-CD 3.26Å; Y109-P112 WeakPolarHBondContact O-CG 3.46Å; P112-R116 WeakPolarHBondContact O-CB 3.36Å; P112-R116 VanDerWaalsContact O-CG 3.3Å; P112-R116 WeakPolarHBondContact O-CG 3.49Å; P112-R116 PolarHBondContact O-N 2.83Å; P112-R116 VanDerWaalsContact O-N 3.13Å
113	I	98.6	Very high	97	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-53.6	171.1	-76.2	167.3	0	0	0	110.6	Y109 S110 I111 E115 R116 I117 A126 I128 L176 T200 V202 M232	Y109-I113 HydrophobicContact CD2-CD1 4.49Å; Y109-I113 WeakPolarHBondContact O-CB 3.48Å; Y109-I113 WeakPolarHBondContact O-CD1 3.26Å; Y109-I113 VanDerWaalsContact O-CG1 3.25Å; Y109-I113 WeakPolarHBondContact O-CG1 3.3Å; Y109-I113 PolarHBondContact O-N 2.87Å; S110-I113 PolarHBondContact O-N 2.81Å; I111-I113 VanDerWaalsContact C-N 3.31Å; I111-I113 PolarHBondContact O-N 2.89Å; I113-E115 VanDerWaalsContact C-N 3.27Å; I113-E115 PolarHBondContact O-N 3.46Å; I113-R116 PolarHBondContact O-N 2.95Å; I113-R116 VanDerWaalsContact O-N 3.16Å; I113-I117 HydrophobicContact CG2-CD1 3.84Å; I113-I117 HydrophobicContact CG2-CG1 4.42Å; I113-I117 WeakPolarHBondContact O-CG1 3.45Å; I113-I117 PolarHBondContact O-N 3.09Å; I113-I117 VanDerWaalsContact O-N 3.12Å; I113-A126 HydrophobicContact CG1-CB 4.47Å; I113-A126 HydrophobicContact CG2-CB 3.59Å; I113-I128 HydrophobicContact CD1-CD1 3.96Å; I113-I128 HydrophobicContact CD1-CG1 3.8Å; I113-L176 HydrophobicContact CG2-CD1 4.09Å; I113-L176 HydrophobicContact CG2-CD2 4.13Å; I113-T200 HydrophobicContact CD1-CG2 4.37Å; I113-T200 HydrophobicContact CG1-CG2 3.85Å; I113-V202 HydrophobicContact CD1-CG2 3.47Å; I113-V202 VanDerWaalsContact CD1-CG2 3.47Å; I113-M232 HydrophobicContact CD1-CE 4.05Å; I113-M232 HydrophobicContact CG1-CE 3.86Å
114	L	98.7	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-35.7	-175.6	-69.7	174.8	0	0	0	111.7	L66 S110 I111 I117 L146 L150 V152 L176	L66-L114 HydrophobicContact CD1-CB 4.14Å; L66-L114 HydrophobicContact CD1-CD1 4.19Å; L66-L114 HydrophobicContact CD2-CB 4.43Å; S110-L114 WeakPolarHBondContact O-CB 3.45Å; S110-L114 WeakPolarHBondContact O-CG 3.41Å; S110-L114 PolarHBondContact O-N 3.49Å; I111-L114 PolarHBondContact O-N 3.12Å; L114-I117 HydrophobicContact CD2-CD1 4.35Å; L114-L146 HydrophobicContact CD1-CB 3.55Å; L114-L146 HydrophobicContact CD1-CD1 4.34Å; L114-L150 HydrophobicContact CB-CD1 4Å; L114-V152 HydrophobicContact CD2-CB 4.34Å; L114-V152 HydrophobicContact CD2-CG1 3.9Å; L114-V152 HydrophobicContact CD2-CG2 4.4Å; L114-L176 HydrophobicContact CD2-CD2 4.23Å
115	E	98.3	Very high	97.7	Very high	30 Å²	30	38.1 Å²	38.1	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-44.5	173.8	-177.7	49.3	-130.3	0	0	111.4	L62 K63 L66 L90 I111 I113	L62-E115 HydrophobicContact CD2-CB 4.27Å; L62-E115 HydrophobicContact CD2-CG 4.06Å; K63-E115 WeakPolarHBondContact CB-OE2 3.41Å; K63-E115 WeakPolarHBondContact CD-OE1 3.38Å; K63-E115 WeakPolarHBondContact CE-OE1 3.47Å; K63-E115 VanDerWaalsContact CG-OE1 3.31Å; K63-E115 WeakPolarHBondContact CG-OE1 3.29Å; K63-E115 WeakPolarHBondContact CG-OE2 3.36Å; K63-E115 PolarHBondContact N-OE2 3.32Å; K63-E115 PolarHBondContact NZ-O 3.39Å; K63-E115 IonicContact NZ-OE1 3.35Å; L66-E115 HydrophobicContact CD2-CB 3.84Å; L90-E115 HydrophobicContact CD2-CB 3.81Å; L90-E115 HydrophobicContact CD2-CG 3.58Å; I111-E115 WeakPolarHBondContact O-CB 3.2Å; I111-E115 PolarHBondContact O-N 3.23Å; I113-E115 VanDerWaalsContact C-N 3.27Å; I113-E115 PolarHBondContact O-N 3.46Å
116	R	97.3	Very high	97.8	Very high	107 Å²	107	37.6 Å²	37.6	40%	0.404	18%	0.18	S	C	.	.	H	α-helix	trans	-80.1	-16.8	-175.3	-68.2	-175.6	70.4	-160.5	0.8	114.9	L90 P112 I113 N118	L90-R116 HydrophobicContact CD2-CG 4.48Å; P112-R116 WeakPolarHBondContact O-CB 3.36Å; P112-R116 VanDerWaalsContact O-CG 3.3Å; P112-R116 WeakPolarHBondContact O-CG 3.49Å; P112-R116 PolarHBondContact O-N 2.83Å; P112-R116 VanDerWaalsContact O-N 3.13Å; I113-R116 PolarHBondContact O-N 2.95Å; I113-R116 VanDerWaalsContact O-N 3.16Å; R116-N118 PolarHBondContact O-N 3.08Å
117	I	98.1	Very high	98	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	17%	0.174	C	C	.	.			trans	-63.7	128.9	179.7	-75.9	166.7	0	0	0	111.1	I113 L114 V119 Q125 V152 H175 L176	I113-I117 HydrophobicContact CG2-CD1 3.84Å; I113-I117 HydrophobicContact CG2-CG1 4.42Å; I113-I117 WeakPolarHBondContact O-CG1 3.45Å; I113-I117 PolarHBondContact O-N 3.09Å; I113-I117 VanDerWaalsContact O-N 3.12Å; L114-I117 HydrophobicContact CD2-CD1 4.35Å; I117-V119 HydrophobicContact CG2-CG1 4.13Å; I117-Q125 HydrophobicContact CG1-CB 4.44Å; I117-V152 HydrophobicContact CB-CG2 4.34Å; I117-V152 HydrophobicContact CD1-CG1 3.81Å; I117-V152 HydrophobicContact CG2-CG1 4.31Å; I117-V152 HydrophobicContact CG2-CG2 3.91Å; I117-H175 HydrophobicContact CD1-CB 4.23Å; I117-H175 HydrophobicContact CG2-CB 3.65Å; I117-L176 HydrophobicContact CD1-CB 3.97Å
118	N	97.7	Very high	98	Very high	83 Å²	83	36.6 Å²	36.6	44%	0.444	17%	0.174	S	C	.	.			trans	-93.1	104.1	168.7	177.3	9.8	0	0	0	110.4	R116 K120 S121 Q125	R116-N118 PolarHBondContact O-N 3.08Å; N118-K120 PolarHBondContact O-N 2.96Å; N118-K120 VanDerWaalsContact O-N 3.15Å; N118-K120 WeakPolarHBondContact OD1-CB 3.35Å; N118-K120 PolarHBondContact OD1-N 3.44Å; N118-S121 PolarHBondContact O-N 2.92Å; N118-S121 VanDerWaalsContact O-N 3.16Å; N118-Q125 PolarHBondContact O-NE2 3.02Å
119	V	97.2	Very high	98.1	Very high	65 Å²	65	36.6 Å²	36.6	39%	0.394	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.8	-179.7	-62.2	0	0	0	0	115.3	I117 L150 V152	I117-V119 HydrophobicContact CG2-CG1 4.13Å; V119-L150 VanDerWaalsContact CG1-O 3.3Å; V119-L150 WeakPolarHBondContact CG1-O 3.17Å; V119-V152 HydrophobicContact CG1-CG2 3.71Å
120	K	97	Very high	98	Very high	190 Å²	190	36.6 Å²	36.6	83%	0.826	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-25.9	172.2	-60.3	-178.3	-179.7	176.7	0	112.2	N118	N118-K120 PolarHBondContact O-N 2.96Å; N118-K120 VanDerWaalsContact O-N 3.15Å; N118-K120 WeakPolarHBondContact OD1-CB 3.35Å; N118-K120 PolarHBondContact OD1-N 3.44Å
121	S	96.8	Very high	97.7	Very high	27 Å²	27	37.2 Å²	37.2	19%	0.189	18%	0.178	C	C	.	.	S	Bend	trans	-76.9	143.7	170.8	157.1	0	0	0	0	109	N118 D123 H175	N118-S121 PolarHBondContact O-N 2.92Å; N118-S121 VanDerWaalsContact O-N 3.16Å; S121-D123 VanDerWaalsContact C-N 3.33Å; S121-D123 WeakPolarHBondContact OG-CB 3.31Å; S121-D123 PolarHBondContact OG-N 3.34Å; S121-D123 VanDerWaalsContact OG-N 3.1Å; S121-D123 PolarHBondContact OG-OD2 2.79Å; S121-H175 PolarHBondContact O-CD2 3.24Å; S121-H175 VanDerWaalsContact O-CD2 3.23Å; S121-H175 PolarHBondContact O-NE2 3.44Å
122	K	96.1	Very high	97.4	Very high	158 Å²	158	38.1 Å²	38.1	69%	0.687	18%	0.184	S	C	*	.			trans	-92.6	0.6	177.7	-64.6	-174.4	179.4	177.5	0	112.9	V173	K122-V173 HydrophobicContact CB-CG1 4.34Å; K122-V173 HydrophobicContact CB-CG2 3.94Å; K122-V173 HydrophobicContact CD-CG2 3.96Å; K122-V173 HydrophobicContact CG-CG2 3.7Å
123	D	97.8	Very high	97.1	Very high	60 Å²	60	41.5 Å²	41.5	32%	0.321	20%	0.196	S	C	.	.	S	Bend	trans	-90.4	156.2	-168.6	-48.6	-74.4	0	0	0	112	S121 Q125 V174 H197	S121-D123 VanDerWaalsContact C-N 3.33Å; S121-D123 WeakPolarHBondContact OG-CB 3.31Å; S121-D123 PolarHBondContact OG-N 3.34Å; S121-D123 VanDerWaalsContact OG-N 3.1Å; S121-D123 PolarHBondContact OG-OD2 2.79Å; D123-Q125 PolarHBondContact O-N 3.48Å; D123-V174 CarbonylContact C-O 3.59Å; D123-V174 VanDerWaalsContact C-O 3.3Å; D123-H197 HydrophobicContact CB-CB 3.75Å; D123-H197 IonicContact OD1-ND1 3.89Å; D123-H197 PolarHBondContact OD1-ND1 2.91Å; D123-H197 IonicContact OD2-ND1 2.93Å
124	I	98.5	Very high	96.8	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.056	20%	0.195	C	C	.	.			trans	-69.3	115.9	168.5	-59	168.3	0	0	0	107.9	L170 V174 V177 A193 M195 H197 C198	I124-L170 HydrophobicContact CD1-CD2 3.92Å; I124-V174 WeakPolarHBondContact CA-O 3.26Å; I124-V174 HydrophobicContact CG1-CB 4.4Å; I124-V174 HydrophobicContact CG1-CG1 4.35Å; I124-V174 WeakPolarHBondContact CG1-O 3.32Å; I124-V174 PolarHBondContact N-O 2.9Å; I124-V177 HydrophobicContact CD1-CG2 3.89Å; I124-V177 HydrophobicContact CG1-CG2 4.14Å; I124-V177 HydrophobicContact CG2-CG2 3.94Å; I124-A193 HydrophobicContact CD1-CB 4.41Å; I124-M195 HydrophobicContact CB-SD 4.29Å; I124-M195 HydrophobicContact CD1-CE 4.31Å; I124-M195 HydrophobicContact CD1-SD 4.31Å; I124-M195 HydrophobicContact CG2-CE 4.26Å; I124-M195 HydrophobicContact CG2-SD 3.77Å; I124-H197 CarbonylContact O-C 3.19Å; I124-C198 WeakPolarHBondContact O-CA 3.3Å; I124-C198 PolarHBondContact O-N 3.02Å; I124-C198 VanDerWaalsContact O-N 3.17Å
125	Q	98.6	Very high	96.5	Very high	24 Å²	24	41.4 Å²	41.4	11%	0.112	20%	0.195	C	C	.	.			trans	-104.5	-24.1	-177	-71.9	165.9	67.6	0	0	112.3	I117 N118 D123 H175 C198 S199 T200	I117-Q125 HydrophobicContact CG1-CB 4.44Å; N118-Q125 PolarHBondContact O-NE2 3.02Å; D123-Q125 PolarHBondContact O-N 3.48Å; Q125-H175 PolarHBondContact N-O 3.38Å; Q125-C198 CarbonylContact O-C 3.51Å; Q125-S199 PolarHBondContact O-N 2.78Å; Q125-T200 PolarHBondContact O-N 3.22Å
126	A	98.8	Very high	96.4	Very high	2 Å²	2	40 Å²	40	2%	0.017	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145	-179.4	0	0	0	0	0	113.1	I113 H175 L176 V177 T200	I113-A126 HydrophobicContact CG1-CB 4.47Å; I113-A126 HydrophobicContact CG2-CB 3.59Å; A126-H175 PolarHBondContact N-O 3.48Å; A126-H175 VanDerWaalsContact N-O 3.16Å; A126-L176 HydrophobicContact CB-CD1 3.74Å; A126-L176 WeakPolarHBondContact O-CA 3.48Å; A126-L176 WeakPolarHBondContact O-CD1 3.47Å; A126-V177 PolarHBondContact O-N 2.91Å; A126-T200 CarbonylContact C-O 3.5Å; A126-T200 VanDerWaalsContact CA-O 3.29Å; A126-T200 WeakPolarHBondContact CA-O 3.39Å
127	L	98.8	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121	177.7	175.1	62.5	0	0	0	110.4	I129 V177 A179 I184 M188 M195 T200 V201 V202 V221 L225	L127-I129 HydrophobicContact CD1-CG1 4.26Å; L127-I129 HydrophobicContact CD2-CD1 3.85Å; L127-I129 HydrophobicContact CD2-CG1 3.9Å; L127-I129 HydrophobicContact CG-CD1 4.3Å; L127-I129 HydrophobicContact CG-CG1 3.78Å; L127-V177 CarbonylContact C-O 3.3Å; L127-V177 WeakPolarHBondContact CA-O 3.17Å; L127-V177 HydrophobicContact CD1-CB 4.04Å; L127-V177 HydrophobicContact CD1-CG1 3.94Å; L127-A179 HydrophobicContact CD1-CB 4.42Å; L127-I184 HydrophobicContact CD1-CD1 4.37Å; L127-I184 HydrophobicContact CD1-CG1 3.97Å; L127-I184 HydrophobicContact CD2-CG1 4.39Å; L127-M188 HydrophobicContact CD2-CE 3.84Å; L127-M195 HydrophobicContact CD1-CE 4.14Å; L127-M195 HydrophobicContact CD2-CE 4.15Å; L127-T200 PolarHBondContact N-O 3.38Å; L127-V201 CarbonylContact O-C 3.49Å; L127-V201 VanDerWaalsContact O-CA 3.31Å; L127-V201 WeakPolarHBondContact O-CA 3.25Å; L127-V202 PolarHBondContact O-N 3.19Å; L127-V221 HydrophobicContact CD2-CG1 4.28Å; L127-L225 HydrophobicContact CD2-CD2 4.35Å
128	I	98.9	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.4	169.5	-59.6	164.3	0	0	0	108.5	Y109 I113 V130 T139 L176 V177 V178 A179 V202	Y109-I128 HydrophobicContact CD2-CD1 4.04Å; Y109-I128 HydrophobicContact CD2-CG1 4.43Å; Y109-I128 HydrophobicContact CE2-CD1 3.87Å; Y109-I128 HydrophobicContact CE2-CG1 4.4Å; Y109-I128 HydrophobicContact CE2-CG2 4.1Å; I113-I128 HydrophobicContact CD1-CD1 3.96Å; I113-I128 HydrophobicContact CD1-CG1 3.8Å; I128-V130 HydrophobicContact CG2-CG1 4.05Å; I128-T139 HydrophobicContact CD1-CG2 4.22Å; I128-T139 HydrophobicContact CG2-CG2 4.13Å; I128-L176 HydrophobicContact CD1-CD1 3.88Å; I128-L176 HydrophobicContact CD1-CD2 4.18Å; I128-L176 HydrophobicContact CG1-CD1 3.99Å; I128-V177 PolarHBondContact N-O 2.97Å; I128-V178 HydrophobicContact CB-CG1 4.36Å; I128-V178 HydrophobicContact CB-CG2 4.29Å; I128-V178 HydrophobicContact CD1-CG2 4.15Å; I128-V178 HydrophobicContact CG2-CG1 4.38Å; I128-V178 CarbonylContact O-C 3.55Å; I128-V178 WeakPolarHBondContact O-CA 3.2Å; I128-A179 PolarHBondContact O-N 3.22Å; I128-V202 HydrophobicContact CB-CB 4.35Å; I128-V202 HydrophobicContact CG1-CB 4.03Å; I128-V202 HydrophobicContact CG1-CG2 4.24Å; I128-V202 HydrophobicContact CG2-CB 4.2Å; I128-V202 HydrophobicContact CG2-CG1 4.2Å
129	I	98.5	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131	177	-49.6	-177.4	0	0	0	109.2	L127 A179 P181 V201 V202 L203 D204 L209 L218 V221	L127-I129 HydrophobicContact CD1-CG1 4.26Å; L127-I129 HydrophobicContact CD2-CD1 3.85Å; L127-I129 HydrophobicContact CD2-CG1 3.9Å; L127-I129 HydrophobicContact CG-CD1 4.3Å; L127-I129 HydrophobicContact CG-CG1 3.78Å; I129-A179 WeakPolarHBondContact CA-O 3.22Å; I129-P181 HydrophobicContact CG2-CB 4.38Å; I129-P181 HydrophobicContact CG2-CG 3.63Å; I129-V201 HydrophobicContact CD1-CG1 4.47Å; I129-V202 PolarHBondContact N-O 3.24Å; I129-L203 HydrophobicContact CB-CD2 3.82Å; I129-L203 HydrophobicContact CD1-CD2 3.86Å; I129-L203 HydrophobicContact CG1-CD2 4.14Å; I129-L203 HydrophobicContact CG2-CD2 4.46Å; I129-D204 PolarHBondContact O-N 3.43Å; I129-D204 VanDerWaalsContact O-N 3.13Å; I129-L209 HydrophobicContact CB-CD1 4.44Å; I129-L209 HydrophobicContact CG2-CD1 4.22Å; I129-L209 HydrophobicContact CG2-CD2 3.99Å; I129-L209 VanDerWaalsContact O-CD1 3.32Å; I129-L209 WeakPolarHBondContact O-CD1 3.5Å; I129-L218 HydrophobicContact CD1-CD2 3.92Å; I129-L218 HydrophobicContact CG2-CD2 4.2Å; I129-V221 HydrophobicContact CD1-CG1 3.83Å
130	V	96.7	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.			trans	-133.7	148.7	-179.6	-61.3	0	0	0	0	111.2	I128 T132 L135 A136 A179 T180 P181 D204	I128-V130 HydrophobicContact CG2-CG1 4.05Å; V130-T132 PolarHBondContact O-N 3.14Å; V130-L135 HydrophobicContact CB-CB 4.38Å; V130-L135 HydrophobicContact CB-CD2 3.96Å; V130-L135 HydrophobicContact CB-CG 3.99Å; V130-L135 HydrophobicContact CG1-CD2 4.14Å; V130-L135 HydrophobicContact CG1-CG 4.02Å; V130-L135 HydrophobicContact CG2-CB 4.47Å; V130-L135 HydrophobicContact CG2-CG 4.47Å; V130-A136 HydrophobicContact CG2-CB 3.5Å; V130-A136 VanDerWaalsContact CG2-CB 3.5Å; V130-A179 PolarHBondContact N-O 2.84Å; V130-T180 WeakPolarHBondContact O-CA 3.38Å; V130-P181 WeakPolarHBondContact O-CD 3.25Å; V130-D204 HydrophobicContact CG1-CB 4.17Å
131	P	93.2	Very high	95.9	Very high	14 Å²	14	25 Å²	25	9%	0.091	12%	0.121	C	C	.	.	S	Bend	trans	-75.4	-19.8	-173.2	28	-37.4	0	0	0	114.5	D204 E205 K208 L209 F214	P131-D204 VanDerWaalsContact CD-O 3.3Å; P131-D204 WeakPolarHBondContact CD-O 3.36Å; P131-E205 HydrophobicContact CG-CB 3.78Å; P131-E205 HydrophobicContact CG-CG 4.42Å; P131-K208 HydrophobicContact CB-CB 3.95Å; P131-K208 HydrophobicContact CB-CG 3.66Å; P131-K208 HydrophobicContact CG-CB 4.19Å; P131-K208 HydrophobicContact CG-CG 4.32Å; P131-L209 HydrophobicContact CB-CD2 3.97Å; P131-L209 HydrophobicContact CB-CG 4.28Å; P131-F214 HydrophobicContact CB-CE2 4.41Å
132	T	91.6	Very high	95.9	Very high	19 Å²	19	24.4 Å²	24.4	12%	0.117	12%	0.116	C	C	.	.	S	Bend	trans	-128.4	152	-173.7	70.1	0	0	0	0	112.2	V130 L135 A136	V130-T132 PolarHBondContact O-N 3.14Å; T132-L135 PolarHBondContact O-N 3.14Å; T132-L135 WeakPolarHBondContact OG1-CB 3.25Å; T132-L135 PolarHBondContact OG1-N 3.31Å; T132-A136 PolarHBondContact O-N 3.28Å; T132-A136 VanDerWaalsContact O-N 3.09Å
133	R	92	Very high	96	Very high	73 Å²	73	16.9 Å²	16.9	28%	0.275	8%	0.083	S	C	.	.	H	α-helix	trans	-68.9	-40.4	-177.6	-54	175.6	179.8	175.2	-9.2	110.9	L135 A136 L137 T158 G159 T180	R133-L135 VanDerWaalsContact C-N 3.34Å; R133-A136 WeakPolarHBondContact O-CB 3.28Å; R133-A136 PolarHBondContact O-N 2.85Å; R133-L137 WeakPolarHBondContact O-CG 3.3Å; R133-L137 PolarHBondContact O-N 3.09Å; R133-L137 VanDerWaalsContact O-N 3.09Å; R133-T158 HydrophobicContact CB-CG2 4.23Å; R133-G159 VanDerWaalsContact CD-O 3.26Å; R133-G159 WeakPolarHBondContact CD-O 3.19Å; R133-G159 VanDerWaalsContact CZ-C 3.47Å; R133-G159 PolarHBondContact NE-O 3.04Å; R133-G159 PolarHBondContact NH1-O 3.42Å; R133-G159 PolarHBondContact NH2-O 2.84Å; R133-T180 HydrophobicContact CG-CG2 4.14Å
134	E	91.6	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-37.4	177.7	-66.7	78.7	-170.5	0	0	112	L137 Q138 R331 F335 L352 I356	E134-L137 PolarHBondContact O-N 3.44Å; E134-Q138 PolarHBondContact O-N 2.95Å; E134-R331 IonicContact OE1-CZ 3.47Å; E134-R331 IonicContact OE1-NE 3.7Å; E134-R331 PolarHBondContact OE1-NE 2.82Å; E134-R331 IonicContact OE1-NH2 2.78Å; E134-R331 PolarHBondContact OE1-NH2 2.8Å; E134-R331 IonicContact OE2-CZ 2.67Å; E134-R331 IonicContact OE2-NH2 3.24Å; E134-R331 PolarHBondContact OE2-NH2 3.4Å; E134-F335 HydrophobicContact CB-CD1 4.34Å; E134-F335 HydrophobicContact CB-CE1 4.23Å; E134-F335 HydrophobicContact CB-CE2 4.48Å; E134-F335 HydrophobicContact CB-CG 4.5Å; E134-F335 HydrophobicContact CB-CZ 4.31Å; E134-F335 HydrophobicContact CG-CD1 4.32Å; E134-F335 HydrophobicContact CG-CD2 4.37Å; E134-F335 HydrophobicContact CG-CG 4.15Å; E134-L352 HydrophobicContact CB-CD2 4.07Å; E134-L352 HydrophobicContact CG-CD2 3.71Å; E134-I356 HydrophobicContact CB-CD1 3.53Å
135	L	93.1	Very high	96	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-39.2	173.2	-177.3	52.9	0	0	0	111.2	V130 T132 R133 L137 Q138 T139 E205	V130-L135 HydrophobicContact CB-CB 4.38Å; V130-L135 HydrophobicContact CB-CD2 3.96Å; V130-L135 HydrophobicContact CB-CG 3.99Å; V130-L135 HydrophobicContact CG1-CD2 4.14Å; V130-L135 HydrophobicContact CG1-CG 4.02Å; V130-L135 HydrophobicContact CG2-CB 4.47Å; V130-L135 HydrophobicContact CG2-CG 4.47Å; T132-L135 PolarHBondContact O-N 3.14Å; T132-L135 WeakPolarHBondContact OG1-CB 3.25Å; T132-L135 PolarHBondContact OG1-N 3.31Å; R133-L135 VanDerWaalsContact C-N 3.34Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 2.85Å; L135-Q138 PolarHBondContact O-N 3.21Å; L135-T139 WeakPolarHBondContact O-CB 3.4Å; L135-T139 PolarHBondContact O-N 2.98Å; L135-T139 PolarHBondContact O-OG1 2.83Å; L135-T139 VanDerWaalsContact O-OG1 3.13Å; L135-E205 HydrophobicContact CD2-CG 3.89Å
136	A	95.7	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-45.9	176.9	0	0	0	0	0	111.6	V130 T132 R133 T139 S140 V156 T158 V178	V130-A136 HydrophobicContact CG2-CB 3.5Å; V130-A136 VanDerWaalsContact CG2-CB 3.5Å; T132-A136 PolarHBondContact O-N 3.28Å; T132-A136 VanDerWaalsContact O-N 3.09Å; R133-A136 WeakPolarHBondContact O-CB 3.28Å; R133-A136 PolarHBondContact O-N 2.85Å; A136-T139 PolarHBondContact O-N 3.16Å; A136-S140 WeakPolarHBondContact O-CB 3.47Å; A136-S140 PolarHBondContact O-N 2.69Å; A136-S140 PolarHBondContact O-OG 3.42Å; A136-S140 VanDerWaalsContact O-OG 3.12Å; A136-V156 HydrophobicContact CB-CG2 3.82Å; A136-T158 HydrophobicContact CB-CG2 3.52Å; A136-V178 HydrophobicContact CB-CG1 4.17Å
137	L	93.5	Very high	96	Very high	54 Å²	54	18.8 Å²	18.8	28%	0.283	9%	0.092	S	C	.	.	H	α-helix	trans	-63.2	-40.7	176.9	-67.6	172.1	0	0	0	112.4	R133 E134 L135 S140 Q141 V156	R133-L137 WeakPolarHBondContact O-CG 3.3Å; R133-L137 PolarHBondContact O-N 3.09Å; R133-L137 VanDerWaalsContact O-N 3.09Å; E134-L137 PolarHBondContact O-N 3.44Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 2.85Å; L137-S140 PolarHBondContact O-OG 3.13Å; L137-Q141 WeakPolarHBondContact O-CB 3.44Å; L137-Q141 PolarHBondContact O-N 3.26Å; L137-Q141 VanDerWaalsContact O-N 3.14Å; L137-V156 HydrophobicContact CD2-CG1 4.04Å; L137-V156 HydrophobicContact CD2-CG2 4.19Å
138	Q	93.3	Very high	95.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-47.6	177.3	-177.2	-177.2	-66.3	0	0	111.7	E134 L135 Q141 I142 G355	E134-Q138 PolarHBondContact O-N 2.95Å; L135-Q138 PolarHBondContact O-N 3.21Å; Q138-Q141 PolarHBondContact O-N 3.35Å; Q138-I142 HydrophobicContact CG-CD1 4.18Å; Q138-I142 WeakPolarHBondContact O-CG1 3.3Å; Q138-I142 PolarHBondContact O-N 3.12Å; Q138-I142 VanDerWaalsContact O-N 3.07Å; Q138-G355 PolarHBondContact NE2-O 2.75Å
139	T	97	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-43.5	-179.6	-64.5	0	0	0	0	111.1	T106 Y109 I128 L135 A136 Q141 I142 C143 V178	T106-T139 HydrophobicContact CG2-CG2 4.18Å; Y109-T139 HydrophobicContact CE2-CG2 4Å; I128-T139 HydrophobicContact CD1-CG2 4.22Å; I128-T139 HydrophobicContact CG2-CG2 4.13Å; L135-T139 WeakPolarHBondContact O-CB 3.4Å; L135-T139 PolarHBondContact O-N 2.98Å; L135-T139 PolarHBondContact O-OG1 2.83Å; L135-T139 VanDerWaalsContact O-OG1 3.13Å; A136-T139 PolarHBondContact O-N 3.16Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.19Å; T139-I142 PolarHBondContact O-N 3.13Å; T139-C143 PolarHBondContact O-N 3.32Å; T139-C143 PolarHBondContact O-SG 2.67Å; T139-C143 VanDerWaalsContact O-SG 3.33Å; T139-V178 HydrophobicContact CG2-CG1 3.99Å; T139-V178 HydrophobicContact CG2-CG2 4.38Å
140	S	97.6	Very high	95.6	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-40.7	176.8	65.8	0	0	0	0	112.1	A136 L137 I142 C143 I144	A136-S140 WeakPolarHBondContact O-CB 3.47Å; A136-S140 PolarHBondContact O-N 2.69Å; A136-S140 PolarHBondContact O-OG 3.42Å; A136-S140 VanDerWaalsContact O-OG 3.12Å; L137-S140 PolarHBondContact O-OG 3.13Å; S140-I142 VanDerWaalsContact C-N 3.34Å; S140-I142 PolarHBondContact O-N 3.39Å; S140-C143 PolarHBondContact O-N 2.95Å; S140-I144 VanDerWaalsContact O-CG1 3.27Å; S140-I144 WeakPolarHBondContact O-CG1 3.38Å; S140-I144 PolarHBondContact O-N 3.05Å
141	Q	96.3	Very high	95.6	Very high	74 Å²	74	33.8 Å²	33.8	35%	0.346	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-43	176.7	-176.6	59.8	35.2	0	0	111.3	L137 Q138 T139 I144 E145	L137-Q141 WeakPolarHBondContact O-CB 3.44Å; L137-Q141 PolarHBondContact O-N 3.26Å; L137-Q141 VanDerWaalsContact O-N 3.14Å; Q138-Q141 PolarHBondContact O-N 3.35Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.19Å; Q141-I144 PolarHBondContact O-N 3.47Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.31Å; Q141-E145 PolarHBondContact NE2-OE1 3.08Å; Q141-E145 VanDerWaalsContact O-CG 3.28Å; Q141-E145 WeakPolarHBondContact O-CG 3.13Å; Q141-E145 PolarHBondContact O-N 2.78Å
142	I	97	Very high	95.8	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.082	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-46.4	175	-69.1	165.5	0	0	0	110.3	W75 T106 Q138 T139 S140 I144 E145 L146	W75-I142 HydrophobicContact CH2-CG2 3.74Å; W75-I142 HydrophobicContact CZ2-CG2 4.17Å; T106-I142 HydrophobicContact CG2-CB 4.21Å; T106-I142 HydrophobicContact CG2-CD1 3.84Å; T106-I142 HydrophobicContact CG2-CG2 3.86Å; Q138-I142 HydrophobicContact CG-CD1 4.18Å; Q138-I142 WeakPolarHBondContact O-CG1 3.3Å; Q138-I142 PolarHBondContact O-N 3.12Å; Q138-I142 VanDerWaalsContact O-N 3.07Å; T139-I142 PolarHBondContact O-N 3.13Å; S140-I142 VanDerWaalsContact C-N 3.34Å; S140-I142 PolarHBondContact O-N 3.39Å; I142-I144 VanDerWaalsContact C-N 3.32Å; I142-I144 PolarHBondContact O-N 3.24Å; I142-E145 PolarHBondContact O-N 3.04Å; I142-L146 HydrophobicContact CG2-CD1 3.84Å; I142-L146 HydrophobicContact CG2-CG 4.22Å; I142-L146 VanDerWaalsContact O-CG 3.28Å; I142-L146 WeakPolarHBondContact O-CG 3.5Å; I142-L146 PolarHBondContact O-N 3.27Å
143	C	98.7	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-39.8	177	-67.7	0	0	0	0	112.6	T139 S140 S147 V154 L176	T139-C143 PolarHBondContact O-N 3.32Å; T139-C143 PolarHBondContact O-SG 2.67Å; T139-C143 VanDerWaalsContact O-SG 3.33Å; S140-C143 PolarHBondContact O-N 2.95Å; C143-S147 VanDerWaalsContact O-CB 3.22Å; C143-S147 WeakPolarHBondContact O-CB 3.46Å; C143-S147 PolarHBondContact O-N 3.44Å; C143-S147 PolarHBondContact O-OG 3.46Å; C143-V154 HydrophobicContact CB-CG1 4Å; C143-V154 HydrophobicContact CB-CG2 4.09Å; C143-L176 HydrophobicContact CB-CD2 3.92Å
144	I	98.4	Very high	96.4	Very high	77 Å²	77	35.8 Å²	35.8	40%	0.395	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-44.3	176.7	-70.1	163.7	0	0	0	110.9	S140 Q141 I142 S147 K148 V154	S140-I144 VanDerWaalsContact O-CG1 3.27Å; S140-I144 WeakPolarHBondContact O-CG1 3.38Å; S140-I144 PolarHBondContact O-N 3.05Å; Q141-I144 PolarHBondContact O-N 3.47Å; I142-I144 VanDerWaalsContact C-N 3.32Å; I142-I144 PolarHBondContact O-N 3.24Å; I144-S147 PolarHBondContact O-N 3.05Å; I144-S147 PolarHBondContact O-OG 2.94Å; I144-K148 PolarHBondContact O-N 3.15Å; I144-K148 VanDerWaalsContact O-N 3.15Å; I144-V154 HydrophobicContact CG1-CB 3.84Å; I144-V154 HydrophobicContact CG1-CG1 4.29Å; I144-V154 HydrophobicContact CG1-CG2 4.24Å
145	E	97.5	Very high	96.7	Very high	53 Å²	53	36.3 Å²	36.3	25%	0.248	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-45	179.6	-70.6	162.3	171.7	0	0	111.9	K73 Q141 I142 S147 K148	K73-E145 HydrophobicContact CD-CB 4.28Å; K73-E145 WeakPolarHBondContact CD-OE2 3.37Å; K73-E145 WeakPolarHBondContact CE-OE2 3.41Å; K73-E145 IonicContact NZ-OE1 3.71Å; K73-E145 IonicContact NZ-OE2 2.83Å; K73-E145 PolarHBondContact NZ-OE2 3.12Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.31Å; Q141-E145 PolarHBondContact NE2-OE1 3.08Å; Q141-E145 VanDerWaalsContact O-CG 3.28Å; Q141-E145 WeakPolarHBondContact O-CG 3.13Å; Q141-E145 PolarHBondContact O-N 2.78Å; I142-E145 PolarHBondContact O-N 3.04Å; E145-S147 VanDerWaalsContact C-N 3.29Å; E145-S147 PolarHBondContact O-N 2.92Å; E145-K148 WeakPolarHBondContact O-CB 3.41Å; E145-K148 PolarHBondContact O-N 2.81Å
146	L	98.3	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.2	-32.4	177	-65.9	177.8	0	0	0	112.5	L66 I70 K73 W75 S110 I111 L114 I142	L66-L146 HydrophobicContact CD1-CB 4.42Å; I70-L146 HydrophobicContact CB-CD2 4.47Å; I70-L146 HydrophobicContact CG1-CD2 3.91Å; K73-L146 HydrophobicContact CB-CD2 4.22Å; K73-L146 HydrophobicContact CG-CD2 4.39Å; W75-L146 HydrophobicContact CE3-CD2 3.9Å; W75-L146 HydrophobicContact CH2-CD1 3.9Å; W75-L146 HydrophobicContact CH2-CD2 4.24Å; W75-L146 HydrophobicContact CH2-CG 4.46Å; W75-L146 HydrophobicContact CZ3-CD1 3.65Å; W75-L146 HydrophobicContact CZ3-CD2 3.71Å; W75-L146 HydrophobicContact CZ3-CG 4.23Å; S110-L146 WeakPolarHBondContact OG-CD1 3.45Å; I111-L146 HydrophobicContact CG1-CD1 4.32Å; L114-L146 HydrophobicContact CD1-CB 3.55Å; L114-L146 HydrophobicContact CD1-CD1 4.34Å; I142-L146 HydrophobicContact CG2-CD1 3.84Å; I142-L146 HydrophobicContact CG2-CG 4.22Å; I142-L146 VanDerWaalsContact O-CG 3.28Å; I142-L146 WeakPolarHBondContact O-CG 3.5Å; I142-L146 PolarHBondContact O-N 3.27Å
147	S	98	Very high	97	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.049	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	11	-177.8	65.8	0	0	0	0	114.9	C143 I144 E145 H149 L150	C143-S147 VanDerWaalsContact O-CB 3.22Å; C143-S147 WeakPolarHBondContact O-CB 3.46Å; C143-S147 PolarHBondContact O-N 3.44Å; C143-S147 PolarHBondContact O-OG 3.46Å; I144-S147 PolarHBondContact O-N 3.05Å; I144-S147 PolarHBondContact O-OG 2.94Å; E145-S147 VanDerWaalsContact C-N 3.29Å; E145-S147 PolarHBondContact O-N 2.92Å; S147-H149 PolarHBondContact O-N 3.44Å; S147-L150 PolarHBondContact O-N 2.64Å
148	K	96.6	Very high	97	Very high	124 Å²	124	36.2 Å²	36.2	54%	0.539	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-33.1	-175.7	-179.9	175.1	161.6	-152	0	113.9	E72 I144 E145	E72-K148 IonicContact OE1-NZ 2.97Å; E72-K148 PolarHBondContact OE1-NZ 3.29Å; E72-K148 VanDerWaalsContact OE2-CD 3.31Å; E72-K148 WeakPolarHBondContact OE2-CD 3.47Å; E72-K148 WeakPolarHBondContact OE2-CE 3.44Å; E72-K148 IonicContact OE2-NZ 3.08Å; E72-K148 PolarHBondContact OE2-NZ 3.18Å; I144-K148 PolarHBondContact O-N 3.15Å; I144-K148 VanDerWaalsContact O-N 3.15Å; E145-K148 WeakPolarHBondContact O-CB 3.41Å; E145-K148 PolarHBondContact O-N 2.81Å
149	H	96.7	Very high	96.8	Very high	55 Å²	55	36.9 Å²	36.9	26%	0.255	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-4.6	-179.5	-54.2	-77.8	0	0	0	114.5	E65 M68 E72 S147	E65-H149 HydrophobicContact CB-CB 3.74Å; E65-H149 HydrophobicContact CG-CB 4.23Å; E65-H149 WeakPolarHBondContact O-CB 3.35Å; M68-H149 VanDerWaalsContact CB-CD2 3.45Å; M68-H149 WeakPolarHBondContact CB-CD2 3.34Å; E72-H149 IonicContact OE1-NE2 2.86Å; E72-H149 IonicContact OE2-CD2 2.65Å; E72-H149 IonicContact OE2-CE1 2.89Å; E72-H149 IonicContact OE2-NE2 3.93Å; E72-H149 PolarHBondContact OE2-NE2 2.69Å; S147-H149 PolarHBondContact O-N 3.44Å
150	L	95.4	Very high	96.2	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.084	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8	-175.6	-68	168.1	0	0	0	113.8	K63 E65 L66 L114 V119 S147 V152	K63-L150 HydrophobicContact CB-CD2 4.17Å; K63-L150 HydrophobicContact CD-CD2 3.83Å; E65-L150 HydrophobicContact CB-CD2 3.71Å; E65-L150 HydrophobicContact CB-CG 4.2Å; L66-L150 HydrophobicContact CB-CD1 3.97Å; L66-L150 HydrophobicContact CB-CD2 4.3Å; L66-L150 HydrophobicContact CB-CG 4.43Å; L66-L150 HydrophobicContact CD1-CD1 3.92Å; L66-L150 HydrophobicContact CG-CD1 4.35Å; L114-L150 HydrophobicContact CB-CD1 4Å; V119-L150 VanDerWaalsContact CG1-O 3.3Å; V119-L150 WeakPolarHBondContact CG1-O 3.17Å; S147-L150 PolarHBondContact O-N 2.64Å; L150-V152 HydrophobicContact CB-CG2 3.71Å; L150-V152 HydrophobicContact CD1-CG2 4.43Å; L150-V152 PolarHBondContact O-N 3.29Å
151	N	95.8	Very high	95.6	Very high	120 Å²	120	41.6 Å²	41.6	64%	0.642	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	20.3	-169.2	-69.7	-43.9	0	0	0	114.6
152	V	98.3	Very high	95.1	Very high	13 Å²	13	42.6 Å²	42.6	8%	0.079	23%	0.233	C	C	.	.			trans	-69	138.5	175.2	175.2	0	0	0	0	109.9	L114 I117 V119 L150 V154 H175	L114-V152 HydrophobicContact CD2-CB 4.34Å; L114-V152 HydrophobicContact CD2-CG1 3.9Å; L114-V152 HydrophobicContact CD2-CG2 4.4Å; I117-V152 HydrophobicContact CB-CG2 4.34Å; I117-V152 HydrophobicContact CD1-CG1 3.81Å; I117-V152 HydrophobicContact CG2-CG1 4.31Å; I117-V152 HydrophobicContact CG2-CG2 3.91Å; V119-V152 HydrophobicContact CG1-CG2 3.71Å; L150-V152 HydrophobicContact CB-CG2 3.71Å; L150-V152 HydrophobicContact CD1-CG2 4.43Å; L150-V152 PolarHBondContact O-N 3.29Å; V152-V154 HydrophobicContact CG1-CG2 4.05Å; V152-H175 HydrophobicContact CG1-CB 4.22Å
153	K	98.2	Very high	94.8	Very high	109 Å²	109	43.7 Å²	43.7	47%	0.474	24%	0.24	S	C	.	.			trans	-101.5	110.2	176.1	-56.5	-55.5	178.4	-172.8	0	109.2	V173 H175 L176	K153-V173 WeakPolarHBondContact CB-O 3.01Å; K153-V173 HydrophobicContact CG-CG1 4.36Å; K153-V173 WeakPolarHBondContact CG-O 3.31Å; K153-H175 PolarHBondContact N-ND1 2.66Å; K153-H175 VanDerWaalsContact N-ND1 3.14Å; K153-H175 PolarHBondContact O-N 3.29Å; K153-L176 PolarHBondContact O-N 3.31Å; K153-L176 VanDerWaalsContact O-N 3.14Å
154	V	98.4	Very high	94.4	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.4	179.6	-174.9	0	0	0	0	108.7	C143 I144 V152 L176 V178	C143-V154 HydrophobicContact CB-CG1 4Å; C143-V154 HydrophobicContact CB-CG2 4.09Å; I144-V154 HydrophobicContact CG1-CB 3.84Å; I144-V154 HydrophobicContact CG1-CG1 4.29Å; I144-V154 HydrophobicContact CG1-CG2 4.24Å; V152-V154 HydrophobicContact CG1-CG2 4.05Å; V154-L176 CarbonylContact C-O 3.59Å; V154-L176 WeakPolarHBondContact CA-O 3.48Å; V154-L176 HydrophobicContact CG1-CD2 4.16Å; V154-L176 HydrophobicContact CG1-CG 4.19Å; V154-L176 HydrophobicContact CG2-CB 4.34Å; V154-L176 HydrophobicContact CG2-CD2 4.13Å; V154-V178 HydrophobicContact CG1-CG2 4.3Å
155	M	97.3	Very high	94.1	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.049	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.3	173.7	179.3	175.2	169.7	0	0	110.1	D166 N169 L170 V174 L176 V177 V178	M155-D166 HydrophobicContact CE-CB 3.73Å; M155-N169 HydrophobicContact CE-CB 3.95Å; M155-N169 HydrophobicContact SD-CB 3.84Å; M155-L170 HydrophobicContact CE-CD1 4.16Å; M155-L170 HydrophobicContact CE-CD2 4.47Å; M155-L170 HydrophobicContact CE-CG 3.86Å; M155-L170 HydrophobicContact SD-CD1 4.44Å; M155-L170 HydrophobicContact SD-CD2 3.7Å; M155-L170 HydrophobicContact SD-CG 3.64Å; M155-V174 HydrophobicContact CB-CG1 3.56Å; M155-V174 HydrophobicContact CB-CG2 4.14Å; M155-V174 HydrophobicContact SD-CG2 4.13Å; M155-L176 PolarHBondContact N-O 2.99Å; M155-V177 CarbonylContact O-C 3.59Å; M155-V177 WeakPolarHBondContact O-CA 3.3Å; M155-V178 PolarHBondContact O-N 3.43Å
156	V	97	Very high	93.8	Very high	44 Å²	44	48.7 Å²	48.7	27%	0.267	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.8	168.9	61.8	0	0	0	0	109.8	A136 L137 T158 V178	A136-V156 HydrophobicContact CB-CG2 3.82Å; L137-V156 HydrophobicContact CD2-CG1 4.04Å; L137-V156 HydrophobicContact CD2-CG2 4.19Å; V156-T158 HydrophobicContact CG2-CG2 4.19Å; V156-V178 VanDerWaalsContact CA-O 3.29Å; V156-V178 WeakPolarHBondContact CA-O 3.35Å
157	T	97	Very high	93.5	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	128.1	177.8	178	0	0	0	0	111.6	D166 V177 V178 A179 T180 R183 I184 L187	T157-D166 PolarHBondContact OG1-OD1 3.34Å; T157-D166 PolarHBondContact OG1-OD2 3.16Å; T157-V177 HydrophobicContact CG2-CG1 3.89Å; T157-V178 PolarHBondContact N-O 3.09Å; T157-A179 HydrophobicContact CG2-CB 3.63Å; T157-A179 WeakPolarHBondContact O-CA 3.27Å; T157-A179 WeakPolarHBondContact O-CB 3.22Å; T157-T180 PolarHBondContact O-N 2.98Å; T157-R183 HydrophobicContact CG2-CG 4.33Å; T157-R183 WeakPolarHBondContact OG1-CG 3.18Å; T157-I184 HydrophobicContact CG2-CD1 4.3Å; T157-L187 HydrophobicContact CG2-CD1 3.85Å
158	T	94.9	Very high	93.3	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.037	30%	0.3	C	S	.	.			trans	-143.4	153.5	-174.5	76.5	0	0	0	0	111.5	R133 A136 V156 T161 T180 R183	R133-T158 HydrophobicContact CB-CG2 4.23Å; A136-T158 HydrophobicContact CB-CG2 3.52Å; V156-T158 HydrophobicContact CG2-CG2 4.19Å; T158-T161 PolarHBondContact O-OG1 3.25Å; T158-T180 WeakPolarHBondContact CA-OG1 3.38Å; T158-T180 HydrophobicContact CG2-CG2 4.03Å; T158-R183 PolarHBondContact O-NH1 3.13Å; T158-R183 PolarHBondContact O-NH2 3.45Å
159	G	89.1	Confident	93	Very high	16 Å²	16	53.9 Å²	53.9	17%	0.165	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	153.5	175.8	0	0	0	0	0	112.4	R133 T161 T180	R133-G159 VanDerWaalsContact CD-O 3.26Å; R133-G159 WeakPolarHBondContact CD-O 3.19Å; R133-G159 VanDerWaalsContact CZ-C 3.47Å; R133-G159 PolarHBondContact NE-O 3.04Å; R133-G159 PolarHBondContact NH1-O 3.42Å; R133-G159 PolarHBondContact NH2-O 2.84Å; G159-T161 VanDerWaalsContact C-N 3.29Å; G159-T161 PolarHBondContact O-N 3.01Å; G159-T180 PolarHBondContact N-OG1 2.78Å
160	G	84.1	Confident	92.9	Very high	52 Å²	52	52.7 Å²	52.7	54%	0.536	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	2	176.3	0	0	0	0	0	115.7
161	T	84.3	Confident	92.7	Very high	53 Å²	53	56.8 Å²	56.8	33%	0.325	32%	0.319	S	S	.	.	S	Bend	trans	-97.5	165.9	161.6	64	0	0	0	0	110.5	T158 G159 L163 R183	T158-T161 PolarHBondContact O-OG1 3.25Å; G159-T161 VanDerWaalsContact C-N 3.29Å; G159-T161 PolarHBondContact O-N 3.01Å; T161-L163 PolarHBondContact O-N 3.23Å; T161-R183 PolarHBondContact O-NH1 2.84Å; T161-R183 PolarHBondContact O-NH2 3.33Å; T161-R183 PolarHBondContact OG1-NH1 3.29Å
162	D	85.8	Confident	92.6	Very high	95 Å²	95	54.5 Å²	54.5	51%	0.508	31%	0.312	S	S	.	.			trans	-64.8	130.4	175.6	-164.1	-18.8	0	0	0	110.4	K164	D162-K164 PolarHBondContact O-N 3.49Å; D162-K164 WeakPolarHBondContact OD1-CB 3.36Å; D162-K164 PolarHBondContact OD1-N 3.48Å
163	L	90.2	Very high	92.6	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.209	32%	0.323	C	S	.	.	H	α-helix	trans	-69.4	-27.3	176.2	-174.7	68.2	0	0	0	111.2	T161 D165 D166 I167 L187 K190	T161-L163 PolarHBondContact O-N 3.23Å; L163-D165 VanDerWaalsContact C-N 3.33Å; L163-D165 PolarHBondContact O-N 3.34Å; L163-D166 WeakPolarHBondContact O-CB 3.4Å; L163-D166 PolarHBondContact O-N 3.28Å; L163-I167 HydrophobicContact CD2-CD1 4.34Å; L163-I167 HydrophobicContact CG-CD1 4.01Å; L163-I167 HydrophobicContact CG-CG1 4.42Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 2.88Å; L163-L187 HydrophobicContact CD1-CD2 3.56Å; L163-L187 HydrophobicContact CD1-CG 4.29Å; L163-K190 HydrophobicContact CD2-CD 4.25Å
164	K	91.9	Very high	92.6	Very high	135 Å²	135	51.5 Å²	51.5	59%	0.587	30%	0.303	S	S	*	.	H	α-helix	trans	-61.3	-42.2	-179.8	-173.2	-178.2	176	-174.4	0	111.8	D162 D166 I167 I168	D162-K164 PolarHBondContact O-N 3.49Å; D162-K164 WeakPolarHBondContact OD1-CB 3.36Å; D162-K164 PolarHBondContact OD1-N 3.48Å; K164-D166 VanDerWaalsContact C-N 3.31Å; K164-D166 PolarHBondContact O-N 3.32Å; K164-I167 PolarHBondContact O-N 3.4Å; K164-I168 HydrophobicContact CG-CD1 4.07Å; K164-I168 VanDerWaalsContact O-CG1 3.3Å; K164-I168 WeakPolarHBondContact O-CG1 3.47Å; K164-I168 PolarHBondContact O-N 3.13Å
165	D	90.7	Very high	92.6	Very high	92 Å²	92	50.4 Å²	50.4	49%	0.492	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-39.3	177.5	-66.3	-22.2	0	0	0	111.1	L163 I168 N169	L163-D165 VanDerWaalsContact C-N 3.33Å; L163-D165 PolarHBondContact O-N 3.34Å; D165-I168 PolarHBondContact O-N 3.1Å; D165-N169 WeakPolarHBondContact O-CB 3.41Å; D165-N169 PolarHBondContact O-N 2.77Å; D165-N169 PolarHBondContact O-ND2 2.86Å; D165-N169 VanDerWaalsContact O-ND2 3.17Å
166	D	92.1	Very high	92.6	Very high	7 Å²	7	50 Å²	50	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-42.8	175.2	-69.4	-20.9	0	0	0	111.8	M155 T157 L163 K164 I168 N169 L170 R183 L187	M155-D166 HydrophobicContact CE-CB 3.73Å; T157-D166 PolarHBondContact OG1-OD1 3.34Å; T157-D166 PolarHBondContact OG1-OD2 3.16Å; L163-D166 WeakPolarHBondContact O-CB 3.4Å; L163-D166 PolarHBondContact O-N 3.28Å; K164-D166 VanDerWaalsContact C-N 3.31Å; K164-D166 PolarHBondContact O-N 3.32Å; D166-I168 VanDerWaalsContact C-N 3.35Å; D166-N169 PolarHBondContact O-N 2.78Å; D166-L170 WeakPolarHBondContact O-CB 3.41Å; D166-L170 WeakPolarHBondContact O-CG 3.13Å; D166-L170 PolarHBondContact O-N 3.41Å; D166-R183 IonicContact OD2-CZ 3.44Å; D166-R183 IonicContact OD2-NH1 3.83Å; D166-R183 PolarHBondContact OD2-NH1 2.89Å; D166-L187 HydrophobicContact CB-CD1 4.39Å; D166-L187 HydrophobicContact CB-CD2 4.22Å
167	I	91.8	Very high	92.7	Very high	75 Å²	75	47.9 Å²	47.9	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-44.2	176.5	-68.6	162.7	0	0	0	110.8	L163 K164 L170 S171 I192	L163-I167 HydrophobicContact CD2-CD1 4.34Å; L163-I167 HydrophobicContact CG-CD1 4.01Å; L163-I167 HydrophobicContact CG-CG1 4.42Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 2.88Å; K164-I167 PolarHBondContact O-N 3.4Å; I167-L170 PolarHBondContact O-N 3.19Å; I167-S171 PolarHBondContact O-N 3.27Å; I167-I192 HydrophobicContact CB-CG2 4.5Å; I167-I192 HydrophobicContact CD1-CD1 3.96Å; I167-I192 HydrophobicContact CG1-CD1 3.68Å; I167-I192 HydrophobicContact CG1-CG1 4.36Å; I167-I192 HydrophobicContact CG1-CG2 3.99Å
168	I	93	Very high	92.8	Very high	91 Å²	91	47.8 Å²	47.8	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-46	177.7	-67.9	165.3	0	0	0	109.9	K164 D165 D166 L170 S171	K164-I168 HydrophobicContact CG-CD1 4.07Å; K164-I168 VanDerWaalsContact O-CG1 3.3Å; K164-I168 WeakPolarHBondContact O-CG1 3.47Å; K164-I168 PolarHBondContact O-N 3.13Å; D165-I168 PolarHBondContact O-N 3.1Å; D166-I168 VanDerWaalsContact C-N 3.35Å; I168-L170 PolarHBondContact O-N 3.49Å; I168-S171 WeakPolarHBondContact O-CB 3.23Å; I168-S171 PolarHBondContact O-N 3.1Å; I168-S171 VanDerWaalsContact O-N 3.16Å; I168-S171 PolarHBondContact O-OG 3.36Å
169	N	91.9	Very high	93	Very high	75 Å²	75	47.5 Å²	47.5	40%	0.401	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-41	179.2	-70.5	-27.8	0	0	0	112	M155 D165 D166 S171 S172	M155-N169 HydrophobicContact CE-CB 3.95Å; M155-N169 HydrophobicContact SD-CB 3.84Å; D165-N169 WeakPolarHBondContact O-CB 3.41Å; D165-N169 PolarHBondContact O-N 2.77Å; D165-N169 PolarHBondContact O-ND2 2.86Å; D165-N169 VanDerWaalsContact O-ND2 3.17Å; D166-N169 PolarHBondContact O-N 2.78Å; N169-S171 VanDerWaalsContact C-N 3.26Å; N169-S171 PolarHBondContact O-N 3.14Å; N169-S172 WeakPolarHBondContact O-CB 3.31Å; N169-S172 PolarHBondContact O-N 3.42Å; N169-S172 PolarHBondContact O-OG 3.12Å
170	L	94.4	Very high	93.3	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-72.4	-14.6	176.5	-74.1	168.9	0	0	0	114	I124 M155 D166 I167 I168 S172 V174 L187 I192 A193	I124-L170 HydrophobicContact CD1-CD2 3.92Å; M155-L170 HydrophobicContact CE-CD1 4.16Å; M155-L170 HydrophobicContact CE-CD2 4.47Å; M155-L170 HydrophobicContact CE-CG 3.86Å; M155-L170 HydrophobicContact SD-CD1 4.44Å; M155-L170 HydrophobicContact SD-CD2 3.7Å; M155-L170 HydrophobicContact SD-CG 3.64Å; D166-L170 WeakPolarHBondContact O-CB 3.41Å; D166-L170 WeakPolarHBondContact O-CG 3.13Å; D166-L170 PolarHBondContact O-N 3.41Å; I167-L170 PolarHBondContact O-N 3.19Å; I168-L170 PolarHBondContact O-N 3.49Å; L170-S172 PolarHBondContact O-N 3.09Å; L170-V174 HydrophobicContact CD2-CB 4.48Å; L170-V174 HydrophobicContact CD2-CG2 4.31Å; L170-L187 HydrophobicContact CD1-CD1 4.09Å; L170-L187 HydrophobicContact CD1-CD2 4.1Å; L170-I192 HydrophobicContact CB-CG2 4.1Å; L170-I192 HydrophobicContact CD1-CG2 3.66Å; L170-A193 HydrophobicContact CD1-CB 4.11Å
171	S	91.5	Very high	93.9	Very high	102 Å²	102	45 Å²	45	71%	0.713	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.4	168.1	79.1	0	0	0	0	112.8	I167 I168 N169	I167-S171 PolarHBondContact O-N 3.27Å; I168-S171 WeakPolarHBondContact O-CB 3.23Å; I168-S171 PolarHBondContact O-N 3.1Å; I168-S171 VanDerWaalsContact O-N 3.16Å; I168-S171 PolarHBondContact O-OG 3.36Å; N169-S171 VanDerWaalsContact C-N 3.26Å; N169-S171 PolarHBondContact O-N 3.14Å
172	S	93.8	Very high	94.4	Very high	72 Å²	72	44.3 Å²	44.3	50%	0.503	25%	0.254	S	S	.	.	S	Bend	trans	-99.6	171.9	172.8	79.7	0	0	0	0	111.3	N169 L170 V174	N169-S172 WeakPolarHBondContact O-CB 3.31Å; N169-S172 PolarHBondContact O-N 3.42Å; N169-S172 PolarHBondContact O-OG 3.12Å; L170-S172 PolarHBondContact O-N 3.09Å; S172-V174 PolarHBondContact O-N 3.04Å
173	V	96.5	Very high	94.9	Very high	50 Å²	50	41 Å²	41	30%	0.303	23%	0.234	S	C	.	.			trans	-67	125.5	179.4	177.2	0	0	0	0	110.6	K122 K153 H175	K122-V173 HydrophobicContact CB-CG1 4.34Å; K122-V173 HydrophobicContact CB-CG2 3.94Å; K122-V173 HydrophobicContact CD-CG2 3.96Å; K122-V173 HydrophobicContact CG-CG2 3.7Å; K153-V173 WeakPolarHBondContact CB-O 3.01Å; K153-V173 HydrophobicContact CG-CG1 4.36Å; K153-V173 WeakPolarHBondContact CG-O 3.31Å; V173-H175 WeakPolarHBondContact CG1-NE2 3.45Å
174	V	98.1	Very high	95.3	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.048	22%	0.224	C	C	.	.			trans	-133.6	120.4	175.6	177.7	0	0	0	0	108.7	D123 I124 M155 L170 S172 V177	D123-V174 CarbonylContact C-O 3.59Å; D123-V174 VanDerWaalsContact C-O 3.3Å; I124-V174 WeakPolarHBondContact CA-O 3.26Å; I124-V174 HydrophobicContact CG1-CB 4.4Å; I124-V174 HydrophobicContact CG1-CG1 4.35Å; I124-V174 WeakPolarHBondContact CG1-O 3.32Å; I124-V174 PolarHBondContact N-O 2.9Å; M155-V174 HydrophobicContact CB-CG1 3.56Å; M155-V174 HydrophobicContact CB-CG2 4.14Å; M155-V174 HydrophobicContact SD-CG2 4.13Å; L170-V174 HydrophobicContact CD2-CB 4.48Å; L170-V174 HydrophobicContact CD2-CG2 4.31Å; S172-V174 PolarHBondContact O-N 3.04Å; V174-V177 HydrophobicContact CG1-CG2 3.71Å
175	H	98.6	Very high	95.6	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	20%	0.2	C	C	.	.	S	Bend	trans	-97.9	-34.9	179.5	-48.5	132.9	0	0	0	112.5	I117 S121 Q125 A126 V152 K153 V173	I117-H175 HydrophobicContact CD1-CB 4.23Å; I117-H175 HydrophobicContact CG2-CB 3.65Å; S121-H175 PolarHBondContact O-CD2 3.24Å; S121-H175 VanDerWaalsContact O-CD2 3.23Å; S121-H175 PolarHBondContact O-NE2 3.44Å; Q125-H175 PolarHBondContact N-O 3.38Å; A126-H175 PolarHBondContact N-O 3.48Å; A126-H175 VanDerWaalsContact N-O 3.16Å; V152-H175 HydrophobicContact CG1-CB 4.22Å; K153-H175 PolarHBondContact N-ND1 2.66Å; K153-H175 VanDerWaalsContact N-ND1 3.14Å; K153-H175 PolarHBondContact O-N 3.29Å; V173-H175 WeakPolarHBondContact CG1-NE2 3.45Å
176	L	98.8	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.5	-178.5	171.5	57.9	0	0	0	110.1	I113 L114 I117 A126 I128 C143 K153 V154 M155	I113-L176 HydrophobicContact CG2-CD1 4.09Å; I113-L176 HydrophobicContact CG2-CD2 4.13Å; L114-L176 HydrophobicContact CD2-CD2 4.23Å; I117-L176 HydrophobicContact CD1-CB 3.97Å; A126-L176 HydrophobicContact CB-CD1 3.74Å; A126-L176 WeakPolarHBondContact O-CA 3.48Å; A126-L176 WeakPolarHBondContact O-CD1 3.47Å; I128-L176 HydrophobicContact CD1-CD1 3.88Å; I128-L176 HydrophobicContact CD1-CD2 4.18Å; I128-L176 HydrophobicContact CG1-CD1 3.99Å; C143-L176 HydrophobicContact CB-CD2 3.92Å; K153-L176 PolarHBondContact O-N 3.31Å; K153-L176 VanDerWaalsContact O-N 3.14Å; V154-L176 CarbonylContact C-O 3.59Å; V154-L176 WeakPolarHBondContact CA-O 3.48Å; V154-L176 HydrophobicContact CG1-CD2 4.16Å; V154-L176 HydrophobicContact CG1-CG 4.19Å; V154-L176 HydrophobicContact CG2-CB 4.34Å; V154-L176 HydrophobicContact CG2-CD2 4.13Å; M155-L176 PolarHBondContact N-O 2.99Å
177	V	98.7	Very high	96.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130	171.8	177.6	0	0	0	0	110.1	I124 A126 L127 I128 M155 T157 V174 A179 I184	I124-V177 HydrophobicContact CD1-CG2 3.89Å; I124-V177 HydrophobicContact CG1-CG2 4.14Å; I124-V177 HydrophobicContact CG2-CG2 3.94Å; A126-V177 PolarHBondContact O-N 2.91Å; L127-V177 CarbonylContact C-O 3.3Å; L127-V177 WeakPolarHBondContact CA-O 3.17Å; L127-V177 HydrophobicContact CD1-CB 4.04Å; L127-V177 HydrophobicContact CD1-CG1 3.94Å; I128-V177 PolarHBondContact N-O 2.97Å; M155-V177 CarbonylContact O-C 3.59Å; M155-V177 WeakPolarHBondContact O-CA 3.3Å; T157-V177 HydrophobicContact CG2-CG1 3.89Å; V174-V177 HydrophobicContact CG1-CG2 3.71Å; V177-A179 HydrophobicContact CG1-CB 4Å; V177-I184 HydrophobicContact CG1-CD1 3.85Å
178	V	98.7	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.7	167.5	-172.6	0	0	0	0	108.4	I128 A136 T139 V154 M155 V156 T157	I128-V178 HydrophobicContact CB-CG1 4.36Å; I128-V178 HydrophobicContact CB-CG2 4.29Å; I128-V178 HydrophobicContact CD1-CG2 4.15Å; I128-V178 HydrophobicContact CG2-CG1 4.38Å; I128-V178 CarbonylContact O-C 3.55Å; I128-V178 WeakPolarHBondContact O-CA 3.2Å; A136-V178 HydrophobicContact CB-CG1 4.17Å; T139-V178 HydrophobicContact CG2-CG1 3.99Å; T139-V178 HydrophobicContact CG2-CG2 4.38Å; V154-V178 HydrophobicContact CG1-CG2 4.3Å; M155-V178 PolarHBondContact O-N 3.43Å; V156-V178 VanDerWaalsContact CA-O 3.29Å; V156-V178 WeakPolarHBondContact CA-O 3.35Å; T157-V178 PolarHBondContact N-O 3.09Å
179	A	98.1	Very high	96.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.2	-170.3	0	0	0	0	0	116.1	L127 I128 I129 V130 T157 V177 I184	L127-A179 HydrophobicContact CD1-CB 4.42Å; I128-A179 PolarHBondContact O-N 3.22Å; I129-A179 WeakPolarHBondContact CA-O 3.22Å; V130-A179 PolarHBondContact N-O 2.84Å; T157-A179 HydrophobicContact CG2-CB 3.63Å; T157-A179 WeakPolarHBondContact O-CA 3.27Å; T157-A179 WeakPolarHBondContact O-CB 3.22Å; V177-A179 HydrophobicContact CG1-CB 4Å; A179-I184 HydrophobicContact CB-CB 3.73Å; A179-I184 HydrophobicContact CB-CD1 4.36Å; A179-I184 HydrophobicContact CB-CG1 4.28Å; A179-I184 HydrophobicContact CB-CG2 4.29Å
180	T	96.1	Very high	96.7	Very high	14 Å²	14	28.9 Å²	28.9	9%	0.086	17%	0.173	C	C	.	.			trans	-85.9	143.5	163.9	58.5	0	0	0	0	110.8	V130 R133 T157 T158 G159 G182 R183 I184	V130-T180 WeakPolarHBondContact O-CA 3.38Å; R133-T180 HydrophobicContact CG-CG2 4.14Å; T157-T180 PolarHBondContact O-N 2.98Å; T158-T180 WeakPolarHBondContact CA-OG1 3.38Å; T158-T180 HydrophobicContact CG2-CG2 4.03Å; G159-T180 PolarHBondContact N-OG1 2.78Å; T180-G182 PolarHBondContact O-N 2.65Å; T180-R183 PolarHBondContact O-N 3.22Å; T180-R183 VanDerWaalsContact O-N 3.14Å; T180-I184 PolarHBondContact O-N 2.95Å
181	P	96.8	Very high	96.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-50.7	-48.6	-171.1	-27.8	30	0	0	0	115	I129 V130 R183 I184 L185 L209 F214 I217 L218	I129-P181 HydrophobicContact CG2-CB 4.38Å; I129-P181 HydrophobicContact CG2-CG 3.63Å; V130-P181 WeakPolarHBondContact O-CD 3.25Å; P181-R183 VanDerWaalsContact C-N 3.34Å; P181-R183 PolarHBondContact O-N 3.05Å; P181-I184 WeakPolarHBondContact O-CG2 3.31Å; P181-L185 WeakPolarHBondContact O-CB 3.49Å; P181-L185 PolarHBondContact O-N 3.24Å; P181-L185 VanDerWaalsContact O-N 3.09Å; P181-L209 HydrophobicContact CG-CD2 3.58Å; P181-F214 HydrophobicContact CB-CD1 4.19Å; P181-F214 HydrophobicContact CG-CD1 4.07Å; P181-F214 HydrophobicContact CG-CE1 4.36Å; P181-F214 HydrophobicContact CG-CG 4.38Å; P181-I217 HydrophobicContact CB-CG2 3.63Å; P181-L218 HydrophobicContact CB-CD2 4.33Å; P181-L218 HydrophobicContact CG-CD2 4.38Å
182	G	95.8	Very high	97	Very high	39 Å²	39	33.9 Å²	33.9	40%	0.402	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-33.6	-175	0	0	0	0	0	113.8	T180 D186	T180-G182 PolarHBondContact O-N 2.65Å; G182-D186 PolarHBondContact O-N 2.8Å
183	R	96.3	Very high	97.1	Very high	24 Å²	24	30.7 Å²	30.7	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-78	-41.7	-179.5	173.6	58.2	65.4	86.5	0.5	111.8	T157 T158 T161 D166 T180 P181 L185 D186 L187	T157-R183 HydrophobicContact CG2-CG 4.33Å; T157-R183 WeakPolarHBondContact OG1-CG 3.18Å; T158-R183 PolarHBondContact O-NH1 3.13Å; T158-R183 PolarHBondContact O-NH2 3.45Å; T161-R183 PolarHBondContact O-NH1 2.84Å; T161-R183 PolarHBondContact O-NH2 3.33Å; T161-R183 PolarHBondContact OG1-NH1 3.29Å; D166-R183 IonicContact OD2-CZ 3.44Å; D166-R183 IonicContact OD2-NH1 3.83Å; D166-R183 PolarHBondContact OD2-NH1 2.89Å; T180-R183 PolarHBondContact O-N 3.22Å; T180-R183 VanDerWaalsContact O-N 3.14Å; P181-R183 VanDerWaalsContact C-N 3.34Å; P181-R183 PolarHBondContact O-N 3.05Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 3.22Å; R183-D186 PolarHBondContact O-N 2.84Å; R183-L187 HydrophobicContact CG-CD1 4.24Å; R183-L187 WeakPolarHBondContact O-CG 3.03Å; R183-L187 PolarHBondContact O-N 3.43Å; R183-L187 VanDerWaalsContact O-N 3.1Å
184	I	97.9	Very high	97.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-37.2	177.7	-164.5	61.3	0	0	0	111.4	L127 T157 V177 A179 T180 P181 L187 M188 A193 M195 V221	L127-I184 HydrophobicContact CD1-CD1 4.37Å; L127-I184 HydrophobicContact CD1-CG1 3.97Å; L127-I184 HydrophobicContact CD2-CG1 4.39Å; T157-I184 HydrophobicContact CG2-CD1 4.3Å; V177-I184 HydrophobicContact CG1-CD1 3.85Å; A179-I184 HydrophobicContact CB-CB 3.73Å; A179-I184 HydrophobicContact CB-CD1 4.36Å; A179-I184 HydrophobicContact CB-CG1 4.28Å; A179-I184 HydrophobicContact CB-CG2 4.29Å; T180-I184 PolarHBondContact O-N 2.95Å; P181-I184 WeakPolarHBondContact O-CG2 3.31Å; I184-L187 HydrophobicContact CD1-CD1 4.44Å; I184-L187 PolarHBondContact O-N 3.13Å; I184-M188 HydrophobicContact CD1-CE 4.45Å; I184-M188 HydrophobicContact CG1-CE 3.54Å; I184-M188 HydrophobicContact CG1-SD 4.34Å; I184-M188 VanDerWaalsContact O-CG 3.25Å; I184-M188 WeakPolarHBondContact O-CG 3.37Å; I184-M188 PolarHBondContact O-N 2.78Å; I184-A193 HydrophobicContact CD1-CB 4.22Å; I184-M195 HydrophobicContact CD1-CE 3.56Å; I184-M195 HydrophobicContact CG1-CE 3.81Å; I184-V221 HydrophobicContact CG2-CG2 4.12Å
185	L	97.6	Very high	97.1	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-46.5	172.9	-180	60.6	0	0	0	111.8	P181 R183 L187 M188 D189 I217 K220 V221 F224	P181-L185 WeakPolarHBondContact O-CB 3.49Å; P181-L185 PolarHBondContact O-N 3.24Å; P181-L185 VanDerWaalsContact O-N 3.09Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 3.22Å; L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 PolarHBondContact O-N 3.42Å; L185-M188 PolarHBondContact O-N 2.69Å; L185-M188 VanDerWaalsContact O-N 3.15Å; L185-D189 WeakPolarHBondContact O-CB 3.43Å; L185-D189 PolarHBondContact O-N 3.48Å; L185-I217 HydrophobicContact CB-CG2 4.25Å; L185-I217 HydrophobicContact CD2-CB 4.41Å; L185-I217 HydrophobicContact CD2-CG2 3.82Å; L185-K220 HydrophobicContact CD1-CB 3.64Å; L185-K220 HydrophobicContact CD2-CB 4.03Å; L185-K220 HydrophobicContact CD2-CD 3.98Å; L185-V221 HydrophobicContact CB-CG2 3.85Å; L185-V221 HydrophobicContact CD1-CG2 4.2Å; L185-F224 HydrophobicContact CD1-CD2 4.23Å; L185-F224 HydrophobicContact CD1-CE2 3.83Å
186	D	96.7	Very high	97	Very high	53 Å²	53	36.6 Å²	36.6	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-58.2	-39.9	177.5	-176.9	42.1	0	0	0	112.1	G182 R183 K190	G182-D186 PolarHBondContact O-N 2.8Å; R183-D186 PolarHBondContact O-N 2.84Å; D186-K190 WeakPolarHBondContact O-CB 3.31Å; D186-K190 WeakPolarHBondContact O-CD 3.36Å; D186-K190 VanDerWaalsContact O-CG 3.31Å; D186-K190 WeakPolarHBondContact O-CG 3.18Å; D186-K190 PolarHBondContact O-N 3.35Å; D186-K190 WeakPolarHBondContact OD1-CE 3.34Å; D186-K190 IonicContact OD1-NZ 2.75Å; D186-K190 PolarHBondContact OD1-NZ 3.15Å; D186-K190 IonicContact OD2-NZ 2.86Å; D186-K190 PolarHBondContact OD2-NZ 3.09Å
187	L	97.5	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.4	-37.5	176.5	-69.3	167.3	0	0	0	112.8	T157 L163 D166 L170 R183 I184 L185 K191 I192 A193	T157-L187 HydrophobicContact CG2-CD1 3.85Å; L163-L187 HydrophobicContact CD1-CD2 3.56Å; L163-L187 HydrophobicContact CD1-CG 4.29Å; D166-L187 HydrophobicContact CB-CD1 4.39Å; D166-L187 HydrophobicContact CB-CD2 4.22Å; L170-L187 HydrophobicContact CD1-CD1 4.09Å; L170-L187 HydrophobicContact CD1-CD2 4.1Å; R183-L187 HydrophobicContact CG-CD1 4.24Å; R183-L187 WeakPolarHBondContact O-CG 3.03Å; R183-L187 PolarHBondContact O-N 3.43Å; R183-L187 VanDerWaalsContact O-N 3.1Å; I184-L187 HydrophobicContact CD1-CD1 4.44Å; I184-L187 PolarHBondContact O-N 3.13Å; L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 PolarHBondContact O-N 3.42Å; L187-K191 PolarHBondContact O-N 3.38Å; L187-I192 HydrophobicContact CD2-CB 4.12Å; L187-I192 HydrophobicContact CD2-CD1 4.01Å; L187-I192 HydrophobicContact CD2-CG2 4.03Å; L187-I192 PolarHBondContact O-N 3.2Å; L187-A193 HydrophobicContact CB-CB 3.79Å; L187-A193 PolarHBondContact O-N 2.81Å; L187-A193 VanDerWaalsContact O-N 3.11Å
188	M	97.7	Very high	97	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-47.4	175.2	-69.9	165.9	177.7	0	0	111.6	L127 I184 L185 K190 K191 A193 M195 V221 F224	L127-M188 HydrophobicContact CD2-CE 3.84Å; I184-M188 HydrophobicContact CD1-CE 4.45Å; I184-M188 HydrophobicContact CG1-CE 3.54Å; I184-M188 HydrophobicContact CG1-SD 4.34Å; I184-M188 VanDerWaalsContact O-CG 3.25Å; I184-M188 WeakPolarHBondContact O-CG 3.37Å; I184-M188 PolarHBondContact O-N 2.78Å; L185-M188 PolarHBondContact O-N 2.69Å; L185-M188 VanDerWaalsContact O-N 3.15Å; M188-K190 PolarHBondContact O-N 2.91Å; M188-K191 WeakPolarHBondContact O-CA 3.37Å; M188-K191 PolarHBondContact O-N 3.42Å; M188-A193 HydrophobicContact CG-CB 4.49Å; M188-M195 HydrophobicContact CE-CE 3.48Å; M188-M195 VanDerWaalsContact CE-CE 3.48Å; M188-M195 HydrophobicContact CE-CG 3.5Å; M188-M195 VanDerWaalsContact CE-CG 3.5Å; M188-M195 HydrophobicContact CE-SD 4.1Å; M188-M195 HydrophobicContact CG-CG 4.08Å; M188-M195 HydrophobicContact SD-CG 4.44Å; M188-V221 HydrophobicContact CE-CG1 3.83Å; M188-V221 HydrophobicContact SD-CB 4.39Å; M188-V221 HydrophobicContact SD-CG1 4.1Å; M188-V221 HydrophobicContact SD-CG2 4.25Å; M188-F224 HydrophobicContact CB-CB 4.39Å; M188-F224 HydrophobicContact CB-CD1 4.14Å; M188-F224 HydrophobicContact CB-CD2 3.85Å; M188-F224 HydrophobicContact CB-CE1 4.37Å; M188-F224 HydrophobicContact CB-CE2 4.12Å; M188-F224 HydrophobicContact CB-CG 3.87Å; M188-F224 HydrophobicContact CB-CZ 4.37Å; M188-F224 HydrophobicContact CG-CB 4.33Å; M188-F224 HydrophobicContact CG-CD2 4.47Å; M188-F224 HydrophobicContact CG-CG 4.34Å; M188-F224 HydrophobicContact SD-CB 3.89Å; M188-F224 HydrophobicContact SD-CD2 4.02Å; M188-F224 HydrophobicContact SD-CG 4.16Å
189	D	96.7	Very high	96.9	Very high	85 Å²	85	43.9 Å²	43.9	46%	0.455	23%	0.233	S	C	.	.	H	α-helix	trans	-58.5	-38.2	179.2	-82.9	-26.9	0	0	0	111.2	L185 K191 F224	L185-D189 WeakPolarHBondContact O-CB 3.43Å; L185-D189 PolarHBondContact O-N 3.48Å; D189-K191 PolarHBondContact O-N 3.38Å; D189-F224 WeakPolarHBondContact OD1-CE2 3.07Å; D189-F224 WeakPolarHBondContact OD1-CZ 3.33Å
190	K	95.4	Very high	96.9	Very high	103 Å²	103	44.1 Å²	44.1	45%	0.448	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	0.6	176	-71	171	178.4	158.1	0	114.1	L163 D186 M188 I192	L163-K190 HydrophobicContact CD2-CD 4.25Å; D186-K190 WeakPolarHBondContact O-CB 3.31Å; D186-K190 WeakPolarHBondContact O-CD 3.36Å; D186-K190 VanDerWaalsContact O-CG 3.31Å; D186-K190 WeakPolarHBondContact O-CG 3.18Å; D186-K190 PolarHBondContact O-N 3.35Å; D186-K190 WeakPolarHBondContact OD1-CE 3.34Å; D186-K190 IonicContact OD1-NZ 2.75Å; D186-K190 PolarHBondContact OD1-NZ 3.15Å; D186-K190 IonicContact OD2-NZ 2.86Å; D186-K190 PolarHBondContact OD2-NZ 3.09Å; M188-K190 PolarHBondContact O-N 2.91Å; K190-I192 HydrophobicContact CB-CD1 3.58Å; K190-I192 HydrophobicContact CB-CG1 3.88Å; K190-I192 HydrophobicContact CD-CD1 3.94Å; K190-I192 HydrophobicContact CG-CD1 4.41Å; K190-I192 PolarHBondContact O-N 2.89Å
191	K	95.1	Very high	97	Very high	190 Å²	190	43.5 Å²	43.5	83%	0.826	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	29.3	-176.4	-52.3	-179.3	178.9	-177.4	0	113.6	L187 M188 D189	L187-K191 PolarHBondContact O-N 3.38Å; M188-K191 WeakPolarHBondContact O-CA 3.37Å; M188-K191 PolarHBondContact O-N 3.42Å; D189-K191 PolarHBondContact O-N 3.38Å
192	I	95.6	Very high	97.1	Very high	47 Å²	47	43.4 Å²	43.4	24%	0.241	23%	0.23	C	C	.	.			trans	-87.3	-42.8	175.7	-59	159.5	0	0	0	109.5	I167 L170 L187 K190	I167-I192 HydrophobicContact CB-CG2 4.5Å; I167-I192 HydrophobicContact CD1-CD1 3.96Å; I167-I192 HydrophobicContact CG1-CD1 3.68Å; I167-I192 HydrophobicContact CG1-CG1 4.36Å; I167-I192 HydrophobicContact CG1-CG2 3.99Å; L170-I192 HydrophobicContact CB-CG2 4.1Å; L170-I192 HydrophobicContact CD1-CG2 3.66Å; L187-I192 HydrophobicContact CD2-CB 4.12Å; L187-I192 HydrophobicContact CD2-CD1 4.01Å; L187-I192 HydrophobicContact CD2-CG2 4.03Å; L187-I192 PolarHBondContact O-N 3.2Å; K190-I192 HydrophobicContact CB-CD1 3.58Å; K190-I192 HydrophobicContact CB-CG1 3.88Å; K190-I192 HydrophobicContact CD-CD1 3.94Å; K190-I192 HydrophobicContact CG-CD1 4.41Å; K190-I192 PolarHBondContact O-N 2.89Å
193	A	97.2	Very high	97.2	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.041	21%	0.211	C	C	.	.	S	Bend	trans	-95.5	98.8	173.9	0	0	0	0	0	109.7	I124 L170 I184 L187 M188 M195	I124-A193 HydrophobicContact CD1-CB 4.41Å; L170-A193 HydrophobicContact CD1-CB 4.11Å; I184-A193 HydrophobicContact CD1-CB 4.22Å; L187-A193 HydrophobicContact CB-CB 3.79Å; L187-A193 PolarHBondContact O-N 2.81Å; L187-A193 VanDerWaalsContact O-N 3.11Å; M188-A193 HydrophobicContact CG-CB 4.49Å; A193-M195 HydrophobicContact CB-CE 4.33Å; A193-M195 PolarHBondContact O-N 3.3Å
194	D	96.5	Very high	97.2	Very high	92 Å²	92	40.6 Å²	40.6	49%	0.492	21%	0.207	S	C	.	.			trans	-77.5	118.3	172.9	-174.4	2.4	0	0	0	110.5	T196	D194-T196 VanDerWaalsContact OD1-CB 3.24Å; D194-T196 WeakPolarHBondContact OD1-CB 3.49Å; D194-T196 PolarHBondContact OD1-N 3.19Å; D194-T196 PolarHBondContact OD1-OG1 3.05Å
195	M	97.7	Very high	97	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.02	21%	0.207	C	C	.	.			trans	-107.1	9.7	-176.5	-67.5	-64.1	-170.8	0	0	113.2	I124 L127 I184 M188 A193 H197 C198 L225 P226	I124-M195 HydrophobicContact CB-SD 4.29Å; I124-M195 HydrophobicContact CD1-CE 4.31Å; I124-M195 HydrophobicContact CD1-SD 4.31Å; I124-M195 HydrophobicContact CG2-CE 4.26Å; I124-M195 HydrophobicContact CG2-SD 3.77Å; L127-M195 HydrophobicContact CD1-CE 4.14Å; L127-M195 HydrophobicContact CD2-CE 4.15Å; I184-M195 HydrophobicContact CD1-CE 3.56Å; I184-M195 HydrophobicContact CG1-CE 3.81Å; M188-M195 HydrophobicContact CE-CE 3.48Å; M188-M195 VanDerWaalsContact CE-CE 3.48Å; M188-M195 HydrophobicContact CE-CG 3.5Å; M188-M195 VanDerWaalsContact CE-CG 3.5Å; M188-M195 HydrophobicContact CE-SD 4.1Å; M188-M195 HydrophobicContact CG-CG 4.08Å; M188-M195 HydrophobicContact SD-CG 4.44Å; A193-M195 HydrophobicContact CB-CE 4.33Å; A193-M195 PolarHBondContact O-N 3.3Å; M195-H197 PolarHBondContact O-N 2.73Å; M195-H197 VanDerWaalsContact O-N 3.08Å; M195-C198 HydrophobicContact CB-CB 4.17Å; M195-C198 WeakPolarHBondContact O-CB 3.19Å; M195-C198 PolarHBondContact O-N 3.27Å; M195-C198 HydrophobicContact SD-CB 3.81Å; M195-L225 HydrophobicContact CB-CD2 4.05Å; M195-L225 HydrophobicContact CG-CD2 4.34Å; M195-L225 HydrophobicContact SD-CD2 4.46Å; M195-P226 WeakPolarHBondContact O-CD 3.36Å
196	T	97	Very high	96.8	Very high	90 Å²	90	39.9 Å²	39.9	55%	0.552	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.1	-176.4	-57.7	0	0	0	0	113.1	D194 P226	D194-T196 VanDerWaalsContact OD1-CB 3.24Å; D194-T196 WeakPolarHBondContact OD1-CB 3.49Å; D194-T196 PolarHBondContact OD1-N 3.19Å; D194-T196 PolarHBondContact OD1-OG1 3.05Å; T196-P226 WeakPolarHBondContact O-CG 3.43Å
197	H	97.7	Very high	96.4	Very high	102 Å²	102	37.5 Å²	37.5	47%	0.472	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	10.7	178.6	-59.6	106.3	0	0	0	113.8	D123 I124 M195 S199	D123-H197 HydrophobicContact CB-CB 3.75Å; D123-H197 IonicContact OD1-ND1 3.89Å; D123-H197 PolarHBondContact OD1-ND1 2.91Å; D123-H197 IonicContact OD2-ND1 2.93Å; I124-H197 CarbonylContact O-C 3.19Å; M195-H197 PolarHBondContact O-N 2.73Å; M195-H197 VanDerWaalsContact O-N 3.08Å; H197-S199 PolarHBondContact O-N 3.46Å
198	C	98.2	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.			trans	-78.3	86	-179.3	-177.4	0	0	0	0	110.9	I124 Q125 M195 L225 P226	I124-C198 WeakPolarHBondContact O-CA 3.3Å; I124-C198 PolarHBondContact O-N 3.02Å; I124-C198 VanDerWaalsContact O-N 3.17Å; Q125-C198 CarbonylContact O-C 3.51Å; M195-C198 HydrophobicContact CB-CB 4.17Å; M195-C198 WeakPolarHBondContact O-CB 3.19Å; M195-C198 PolarHBondContact O-N 3.27Å; M195-C198 HydrophobicContact SD-CB 3.81Å; C198-L225 HydrophobicContact CB-CD2 3.94Å; C198-P226 VanDerWaalsContact O-CD 3.32Å; C198-P226 WeakPolarHBondContact O-CD 3.41Å
199	S	97	Very high	96	Very high	52 Å²	52	40 Å²	40	36%	0.364	20%	0.201	S	C	.	.			trans	-82.1	-12.9	-175.8	61	0	0	0	0	114.8	Q125 H197 R229 Q230	Q125-S199 PolarHBondContact O-N 2.78Å; H197-S199 PolarHBondContact O-N 3.46Å; S199-R229 CarbonylContact O-C 3.54Å; S199-R229 VanDerWaalsContact O-CA 3.25Å; S199-R229 WeakPolarHBondContact O-CA 3.28Å; S199-R229 WeakPolarHBondContact O-CB 3.5Å; S199-Q230 PolarHBondContact O-N 3.47Å
200	T	98.4	Very high	95.7	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.9	-177.9	-59.1	0	0	0	0	111.6	I113 Q125 A126 L127 Q230 M232	I113-T200 HydrophobicContact CD1-CG2 4.37Å; I113-T200 HydrophobicContact CG1-CG2 3.85Å; Q125-T200 PolarHBondContact O-N 3.22Å; A126-T200 CarbonylContact C-O 3.5Å; A126-T200 VanDerWaalsContact CA-O 3.29Å; A126-T200 WeakPolarHBondContact CA-O 3.39Å; L127-T200 PolarHBondContact N-O 3.38Å; T200-Q230 WeakPolarHBondContact CA-O 3.5Å; T200-M232 HydrophobicContact CG2-CE 3.55Å
201	V	98.5	Very high	95.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.1	-177.9	-171	0	0	0	0	109.6	L127 I129 F222 L225 Q230 I231 M232	L127-V201 CarbonylContact O-C 3.49Å; L127-V201 VanDerWaalsContact O-CA 3.31Å; L127-V201 WeakPolarHBondContact O-CA 3.25Å; I129-V201 HydrophobicContact CD1-CG1 4.47Å; V201-F222 HydrophobicContact CG1-CE1 4.37Å; V201-F222 HydrophobicContact CG1-CZ 4.05Å; V201-L225 HydrophobicContact CG1-CD1 4.26Å; V201-L225 HydrophobicContact CG2-CD1 3.73Å; V201-L225 HydrophobicContact CG2-CD2 4.19Å; V201-L225 HydrophobicContact CG2-CG 4.48Å; V201-Q230 PolarHBondContact N-O 3.04Å; V201-I231 CarbonylContact O-C 3.6Å; V201-I231 WeakPolarHBondContact O-CA 3.44Å; V201-M232 PolarHBondContact O-N 3.36Å
202	V	98.7	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	174.8	175.9	0	0	0	0	110.2	Y109 I113 L127 I128 I129 M232 Y234	Y109-V202 HydrophobicContact CD1-CG1 3.84Å; Y109-V202 HydrophobicContact CD2-CG1 4.03Å; Y109-V202 HydrophobicContact CD2-CG2 4.31Å; Y109-V202 HydrophobicContact CE1-CG1 4.18Å; Y109-V202 HydrophobicContact CE2-CG1 4.4Å; Y109-V202 HydrophobicContact CG-CG1 3.76Å; Y109-V202 HydrophobicContact CG-CG2 4.2Å; I113-V202 HydrophobicContact CD1-CG2 3.47Å; I113-V202 VanDerWaalsContact CD1-CG2 3.47Å; L127-V202 PolarHBondContact O-N 3.19Å; I128-V202 HydrophobicContact CB-CB 4.35Å; I128-V202 HydrophobicContact CG1-CB 4.03Å; I128-V202 HydrophobicContact CG1-CG2 4.24Å; I128-V202 HydrophobicContact CG2-CB 4.2Å; I128-V202 HydrophobicContact CG2-CG1 4.2Å; I129-V202 PolarHBondContact N-O 3.24Å; V202-M232 CarbonylContact C-O 3.58Å; V202-M232 VanDerWaalsContact CA-O 3.26Å; V202-M232 WeakPolarHBondContact CA-O 3.28Å; V202-M232 HydrophobicContact CG2-CB 4.22Å; V202-M232 HydrophobicContact CG2-CE 3.51Å; V202-Y234 HydrophobicContact CG1-CD2 4.35Å
203	L	97.8	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	104.1	166.4	-56.2	-175.9	0	0	0	108.7	I129 A206 L209 L210 L218 F222 M232 Y234 F245	I129-L203 HydrophobicContact CB-CD2 3.82Å; I129-L203 HydrophobicContact CD1-CD2 3.86Å; I129-L203 HydrophobicContact CG1-CD2 4.14Å; I129-L203 HydrophobicContact CG2-CD2 4.46Å; L203-A206 HydrophobicContact CB-CB 4.28Å; L203-L209 HydrophobicContact CB-CD1 3.94Å; L203-L209 HydrophobicContact CD2-CD1 4.22Å; L203-L210 HydrophobicContact CD1-CD2 4.28Å; L203-L218 HydrophobicContact CD2-CD2 4.38Å; L203-F222 HydrophobicContact CD1-CE2 4.29Å; L203-F222 HydrophobicContact CD1-CZ 4.25Å; L203-F222 HydrophobicContact CD2-CE2 4.32Å; L203-F222 HydrophobicContact CD2-CZ 4.38Å; L203-M232 PolarHBondContact N-O 2.6Å; L203-Y234 PolarHBondContact O-N 3.48Å; L203-F245 HydrophobicContact CD1-CE1 3.8Å; L203-F245 HydrophobicContact CD1-CE2 4.1Å; L203-F245 HydrophobicContact CD1-CZ 3.54Å
204	D	96.3	Very high	93.8	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.6	174.9	-168.5	10.9	0	0	0	110.6	Y109 I129 V130 P131 A206 L209	Y109-D204 HydrophobicContact CE1-CB 3.97Å; Y109-D204 WeakPolarHBondContact CE1-OD2 3.35Å; Y109-D204 PolarHBondContact OH-OD2 3.19Å; I129-D204 PolarHBondContact O-N 3.43Å; I129-D204 VanDerWaalsContact O-N 3.13Å; V130-D204 HydrophobicContact CG1-CB 4.17Å; P131-D204 VanDerWaalsContact CD-O 3.3Å; P131-D204 WeakPolarHBondContact CD-O 3.36Å; D204-A206 VanDerWaalsContact C-N 3.33Å; D204-L209 WeakPolarHBondContact O-CD1 3.38Å
205	E	93.2	Very high	93.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	19%	0.185	C	C	.	.	S	Bend	trans	53.4	51.9	-167.2	-53.3	-75.1	-154.2	0	0	111	K105 P131 L135 D207 K208 L209 Y234 R354 G355 H378	K105-E205 IonicContact NZ-OE2 3.34Å; K105-E205 PolarHBondContact NZ-OE2 2.7Å; P131-E205 HydrophobicContact CG-CB 3.78Å; P131-E205 HydrophobicContact CG-CG 4.42Å; L135-E205 HydrophobicContact CD2-CG 3.89Å; E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 2.88Å; E205-K208 PolarHBondContact O-N 3.06Å; E205-L209 PolarHBondContact O-N 3.31Å; E205-Y234 PolarHBondContact N-O 3.31Å; E205-R354 HydrophobicContact CG-CB 4.17Å; E205-G355 WeakPolarHBondContact OE1-CA 3.3Å; E205-G355 PolarHBondContact OE1-N 3.41Å; E205-H378 IonicContact OE2-CE1 2.89Å
206	A	93.4	Very high	93	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-28.8	-169.7	0	0	0	0	0	114.1	L203 D204 K208 L209 L210 L233 Y234 L242	L203-A206 HydrophobicContact CB-CB 4.28Å; D204-A206 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 3.4Å; A206-L209 PolarHBondContact O-N 3.4Å; A206-L210 HydrophobicContact CB-CD1 4.28Å; A206-L210 VanDerWaalsContact O-CB 3.26Å; A206-L210 WeakPolarHBondContact O-CB 3.45Å; A206-L210 WeakPolarHBondContact O-CG 3.38Å; A206-L210 PolarHBondContact O-N 3.16Å; A206-L233 HydrophobicContact CB-CD1 3.88Å; A206-L233 HydrophobicContact CB-CD2 3.35Å; A206-L233 HydrophobicContact CB-CG 3.37Å; A206-Y234 PolarHBondContact N-O 2.85Å; A206-Y234 VanDerWaalsContact N-O 3.12Å; A206-L242 HydrophobicContact CB-CD1 4.44Å
207	D	90	Very high	92.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-51.8	-42.1	170.5	56.5	-2.9	0	0	0	112.1	E205 S211 S235 T237 P239 R354 H378	E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 2.88Å; D207-S211 PolarHBondContact O-N 2.99Å; D207-S235 WeakPolarHBondContact CB-OG 3.3Å; D207-S235 PolarHBondContact N-OG 3.24Å; D207-T237 WeakPolarHBondContact CB-OG1 3.42Å; D207-T237 VanDerWaalsContact CG-OG1 3.32Å; D207-T237 PolarHBondContact OD2-OG1 3.38Å; D207-P239 HydrophobicContact CB-CG 4.17Å; D207-R354 IonicContact OD1-CZ 2.67Å; D207-R354 IonicContact OD1-NH1 4Å; D207-R354 PolarHBondContact OD1-NH1 2.92Å; D207-R354 IonicContact OD2-NH1 3.53Å; D207-R354 PolarHBondContact OD2-NH1 3.3Å; D207-H378 IonicContact OD2-CE1 3.98Å; D207-H378 IonicContact OD2-NE2 2.69Å; D207-H378 PolarHBondContact OD2-NE2 2.99Å; D207-H378 VanDerWaalsContact OD2-NE2 3.09Å
208	K	91	Very high	92.8	Very high	56 Å²	56	31.6 Å²	31.6	24%	0.243	17%	0.171	C	C	.	.	H	α-helix	trans	-75.2	-46.1	175.6	-169.3	50.9	-173.5	153.5	0	112.3	P131 E205 A206 L210 S211 D213 F214	P131-K208 HydrophobicContact CB-CB 3.95Å; P131-K208 HydrophobicContact CB-CG 3.66Å; P131-K208 HydrophobicContact CG-CB 4.19Å; P131-K208 HydrophobicContact CG-CG 4.32Å; E205-K208 PolarHBondContact O-N 3.06Å; A206-K208 PolarHBondContact O-N 3.4Å; K208-L210 PolarHBondContact O-N 3.11Å; K208-S211 PolarHBondContact NZ-OG 3.35Å; K208-S211 VanDerWaalsContact O-CB 3.26Å; K208-S211 WeakPolarHBondContact O-CB 3.23Å; K208-S211 PolarHBondContact O-N 3.32Å; K208-S211 VanDerWaalsContact O-N 3.08Å; K208-S211 PolarHBondContact O-OG 3.23Å; K208-D213 IonicContact NZ-OD2 3.22Å; K208-D213 PolarHBondContact NZ-OD2 3.44Å; K208-F214 HydrophobicContact CG-CE2 4.32Å; K208-F214 WeakPolarHBondContact O-CD2 3.4Å
209	L	94	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-31.1	-178.5	-73.2	177	0	0	0	112	I129 P131 P181 L203 D204 E205 A206 F214 L218	I129-L209 HydrophobicContact CB-CD1 4.44Å; I129-L209 HydrophobicContact CG2-CD1 4.22Å; I129-L209 HydrophobicContact CG2-CD2 3.99Å; I129-L209 VanDerWaalsContact O-CD1 3.32Å; I129-L209 WeakPolarHBondContact O-CD1 3.5Å; P131-L209 HydrophobicContact CB-CD2 3.97Å; P131-L209 HydrophobicContact CB-CG 4.28Å; P181-L209 HydrophobicContact CG-CD2 3.58Å; L203-L209 HydrophobicContact CB-CD1 3.94Å; L203-L209 HydrophobicContact CD2-CD1 4.22Å; D204-L209 WeakPolarHBondContact O-CD1 3.38Å; E205-L209 PolarHBondContact O-N 3.31Å; A206-L209 PolarHBondContact O-N 3.4Å; L209-F214 WeakPolarHBondContact O-CB 3.28Å; L209-L218 HydrophobicContact CB-CD1 4.06Å; L209-L218 WeakPolarHBondContact O-CD1 3.37Å
210	L	91.2	Very high	92.7	Very high	6 Å²	6	37 Å²	37	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.5	-179.8	-56.6	175.4	0	0	0	112.6	L203 A206 K208 L218 L233 S241 L242 F245	L203-L210 HydrophobicContact CD1-CD2 4.28Å; A206-L210 HydrophobicContact CB-CD1 4.28Å; A206-L210 VanDerWaalsContact O-CB 3.26Å; A206-L210 WeakPolarHBondContact O-CB 3.45Å; A206-L210 WeakPolarHBondContact O-CG 3.38Å; A206-L210 PolarHBondContact O-N 3.16Å; K208-L210 PolarHBondContact O-N 3.11Å; L210-L218 HydrophobicContact CD2-CD1 3.72Å; L210-L233 HydrophobicContact CD1-CD1 3.91Å; L210-S241 WeakPolarHBondContact O-CB 3.04Å; L210-S241 PolarHBondContact O-OG 3.15Å; L210-L242 HydrophobicContact CD1-CB 4.09Å; L210-L242 HydrophobicContact CD1-CG 3.93Å; L210-F245 HydrophobicContact CD1-CB 3.78Å; L210-F245 HydrophobicContact CD1-CD1 4.02Å; L210-F245 HydrophobicContact CD1-CD2 4.46Å; L210-F245 HydrophobicContact CD1-CG 3.83Å; L210-F245 HydrophobicContact CD2-CB 3.9Å; L210-F245 HydrophobicContact CD2-CD1 4.25Å; L210-F245 HydrophobicContact CD2-CD2 3.31Å; L210-F245 HydrophobicContact CD2-CE2 3.89Å; L210-F245 HydrophobicContact CD2-CG 3.54Å; L210-F245 HydrophobicContact CG-CB 4.41Å; L210-F245 HydrophobicContact CG-CG 4.35Å
211	S	87.8	Confident	92.6	Very high	24 Å²	24	36.8 Å²	36.8	17%	0.168	19%	0.189	C	C	.	.	S	Bend	trans	-69.5	162.7	169.3	69.1	0	0	0	0	111.4	D207 K208 D213 F214 K215	D207-S211 PolarHBondContact O-N 2.99Å; K208-S211 PolarHBondContact NZ-OG 3.35Å; K208-S211 VanDerWaalsContact O-CB 3.26Å; K208-S211 WeakPolarHBondContact O-CB 3.23Å; K208-S211 PolarHBondContact O-N 3.32Å; K208-S211 VanDerWaalsContact O-N 3.08Å; K208-S211 PolarHBondContact O-OG 3.23Å; S211-D213 PolarHBondContact O-N 2.73Å; S211-D213 VanDerWaalsContact O-N 3.08Å; S211-F214 PolarHBondContact O-N 3.16Å; S211-K215 PolarHBondContact O-N 3Å; S211-K215 VanDerWaalsContact O-N 3.07Å
212	H	82.3	Confident	92.5	Very high	174 Å²	174	37 Å²	37	81%	0.806	19%	0.19	S	C	*	.	H	α-helix	trans	-53.7	-31.3	-179.4	-76.2	-79.8	0	0	0	113.5	F214	H212-F214 VanDerWaalsContact C-N 3.26Å; H212-F214 PolarHBondContact O-N 3.16Å
213	D	83.3	Confident	92.4	Very high	111 Å²	111	41.1 Å²	41.1	59%	0.594	22%	0.219	S	C	*	.	H	α-helix	trans	-61	-32.3	-180	-57.4	-24.1	0	0	0	113.1	K208 S211	K208-D213 IonicContact NZ-OD2 3.22Å; K208-D213 PolarHBondContact NZ-OD2 3.44Å; S211-D213 PolarHBondContact O-N 2.73Å; S211-D213 VanDerWaalsContact O-N 3.08Å
214	F	89.1	Confident	92.4	Very high	42 Å²	42	44.9 Å²	44.9	18%	0.184	24%	0.235	C	C	.	.	H	α-helix	trans	-116.7	-14.2	-171.2	-69.6	-52.5	0	0	0	113.8	P131 P181 K208 L209 S211 H212 G216 I217 L218	P131-F214 HydrophobicContact CB-CE2 4.41Å; P181-F214 HydrophobicContact CB-CD1 4.19Å; P181-F214 HydrophobicContact CG-CD1 4.07Å; P181-F214 HydrophobicContact CG-CE1 4.36Å; P181-F214 HydrophobicContact CG-CG 4.38Å; K208-F214 HydrophobicContact CG-CE2 4.32Å; K208-F214 WeakPolarHBondContact O-CD2 3.4Å; L209-F214 WeakPolarHBondContact O-CB 3.28Å; S211-F214 PolarHBondContact O-N 3.16Å; H212-F214 VanDerWaalsContact C-N 3.26Å; H212-F214 PolarHBondContact O-N 3.16Å; F214-G216 PolarHBondContact O-N 3.25Å; F214-I217 HydrophobicContact CD1-CD1 4.28Å; F214-I217 WeakPolarHBondContact O-CB 3.28Å; F214-I217 PolarHBondContact O-N 2.83Å; F214-L218 PolarHBondContact O-N 3.24Å
215	K	87.5	Confident	92.4	Very high	87 Å²	87	45.2 Å²	45.2	38%	0.378	24%	0.237	S	C	.	.	H	α-helix	trans	-51.3	-49.7	-175.7	-175.5	170.7	176.9	165.8	0	113.2	S211 I217 L218 D219	S211-K215 PolarHBondContact O-N 3Å; S211-K215 VanDerWaalsContact O-N 3.07Å; K215-I217 VanDerWaalsContact C-N 3.32Å; K215-I217 PolarHBondContact O-N 3.39Å; K215-L218 PolarHBondContact O-N 2.85Å; K215-D219 PolarHBondContact O-N 3.1Å
216	G	91	Very high	92.6	Very high	47 Å²	47	46.7 Å²	46.7	49%	0.485	25%	0.246	S	C	.	.	H	α-helix	trans	-68.1	-29.7	179.3	0	0	0	0	0	114	F214 K220	F214-G216 PolarHBondContact O-N 3.25Å; G216-K220 PolarHBondContact O-N 2.75Å
217	I	95.5	Very high	92.5	Very high	50 Å²	50	55.3 Å²	55.3	26%	0.256	29%	0.287	S	S	.	.	H	α-helix	trans	-71.8	-46.4	176.4	-64.6	174.5	0	0	0	109.5	P181 L185 F214 K215 K220 V221	P181-I217 HydrophobicContact CB-CG2 3.63Å; L185-I217 HydrophobicContact CB-CG2 4.25Å; L185-I217 HydrophobicContact CD2-CB 4.41Å; L185-I217 HydrophobicContact CD2-CG2 3.82Å; F214-I217 HydrophobicContact CD1-CD1 4.28Å; F214-I217 WeakPolarHBondContact O-CB 3.28Å; F214-I217 PolarHBondContact O-N 2.83Å; K215-I217 VanDerWaalsContact C-N 3.32Å; K215-I217 PolarHBondContact O-N 3.39Å; I217-K220 PolarHBondContact O-N 3.43Å; I217-V221 WeakPolarHBondContact O-CG2 3.38Å; I217-V221 PolarHBondContact O-N 2.86Å
218	L	95.6	Very high	92.7	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-41.9	177.8	-73.2	178.2	0	0	0	111.8	I129 P181 L203 L209 L210 F214 K215 K220 V221 F222	I129-L218 HydrophobicContact CD1-CD2 3.92Å; I129-L218 HydrophobicContact CG2-CD2 4.2Å; P181-L218 HydrophobicContact CB-CD2 4.33Å; P181-L218 HydrophobicContact CG-CD2 4.38Å; L203-L218 HydrophobicContact CD2-CD2 4.38Å; L209-L218 HydrophobicContact CB-CD1 4.06Å; L209-L218 WeakPolarHBondContact O-CD1 3.37Å; L210-L218 HydrophobicContact CD2-CD1 3.72Å; F214-L218 PolarHBondContact O-N 3.24Å; K215-L218 PolarHBondContact O-N 2.85Å; L218-K220 PolarHBondContact O-N 3.33Å; L218-V221 PolarHBondContact O-N 3.48Å; L218-F222 HydrophobicContact CB-CD2 4.45Å; L218-F222 VanDerWaalsContact O-CD2 3.29Å; L218-F222 WeakPolarHBondContact O-CD2 3.19Å; L218-F222 PolarHBondContact O-N 3.4Å
219	D	94.6	Very high	92.9	Very high	46 Å²	46	61.5 Å²	61.5	25%	0.246	32%	0.32	C	S	.	.	H	α-helix	trans	-54.1	-39.4	176	-83.5	-13.9	0	0	0	112.1	K215 S223 K248 Y249	K215-D219 PolarHBondContact O-N 3.1Å; D219-S223 PolarHBondContact O-N 3.5Å; D219-K248 IonicContact OD1-NZ 2.89Å; D219-K248 PolarHBondContact OD1-NZ 3.37Å; D219-K248 IonicContact OD2-NZ 2.96Å; D219-K248 PolarHBondContact OD2-NZ 3.27Å; D219-Y249 WeakPolarHBondContact CA-OH 3.47Å; D219-Y249 VanDerWaalsContact CG-OH 3.3Å; D219-Y249 WeakPolarHBondContact OD1-CE2 3.38Å; D219-Y249 PolarHBondContact OD1-OH 3.07Å
220	K	96.5	Very high	93.1	Very high	119 Å²	119	61.9 Å²	61.9	52%	0.517	32%	0.321	S	S	.	.	H	α-helix	trans	-70.6	-45.1	173.8	-68.5	-177.9	174.8	-169.2	0	112.6	L185 G216 I217 L218 F222 S223 F224	L185-K220 HydrophobicContact CD1-CB 3.64Å; L185-K220 HydrophobicContact CD2-CB 4.03Å; L185-K220 HydrophobicContact CD2-CD 3.98Å; G216-K220 PolarHBondContact O-N 2.75Å; I217-K220 PolarHBondContact O-N 3.43Å; L218-K220 PolarHBondContact O-N 3.33Å; K220-F222 VanDerWaalsContact C-N 3.26Å; K220-F222 PolarHBondContact O-N 3.38Å; K220-S223 WeakPolarHBondContact O-CB 3.47Å; K220-S223 PolarHBondContact O-N 2.85Å; K220-S223 PolarHBondContact O-OG 3.43Å; K220-F224 VanDerWaalsContact O-CD2 3.26Å; K220-F224 WeakPolarHBondContact O-CD2 3.22Å; K220-F224 PolarHBondContact O-N 2.91Å
221	V	97.7	Very high	93.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-54.2	-45.3	175.9	168.2	0	0	0	0	110.9	L127 I129 I184 L185 M188 I217 L218 S223 F224 L225	L127-V221 HydrophobicContact CD2-CG1 4.28Å; I129-V221 HydrophobicContact CD1-CG1 3.83Å; I184-V221 HydrophobicContact CG2-CG2 4.12Å; L185-V221 HydrophobicContact CB-CG2 3.85Å; L185-V221 HydrophobicContact CD1-CG2 4.2Å; M188-V221 HydrophobicContact CE-CG1 3.83Å; M188-V221 HydrophobicContact SD-CB 4.39Å; M188-V221 HydrophobicContact SD-CG1 4.1Å; M188-V221 HydrophobicContact SD-CG2 4.25Å; I217-V221 WeakPolarHBondContact O-CG2 3.38Å; I217-V221 PolarHBondContact O-N 2.86Å; L218-V221 PolarHBondContact O-N 3.48Å; V221-S223 PolarHBondContact O-N 2.98Å; V221-F224 PolarHBondContact O-N 3.15Å; V221-F224 VanDerWaalsContact O-N 3.11Å; V221-L225 HydrophobicContact CG1-CD1 4.1Å; V221-L225 WeakPolarHBondContact O-CG 3.4Å
222	F	96.3	Very high	94	Very high	5 Å²	5	60.6 Å²	60.6	2%	0.022	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-19.3	178.7	-84.5	-85.8	0	0	0	114.2	V201 L203 L218 K220 L225 R229 I231 F245 Y249	V201-F222 HydrophobicContact CG1-CE1 4.37Å; V201-F222 HydrophobicContact CG1-CZ 4.05Å; L203-F222 HydrophobicContact CD1-CE2 4.29Å; L203-F222 HydrophobicContact CD1-CZ 4.25Å; L203-F222 HydrophobicContact CD2-CE2 4.32Å; L203-F222 HydrophobicContact CD2-CZ 4.38Å; L218-F222 HydrophobicContact CB-CD2 4.45Å; L218-F222 VanDerWaalsContact O-CD2 3.29Å; L218-F222 WeakPolarHBondContact O-CD2 3.19Å; L218-F222 PolarHBondContact O-N 3.4Å; K220-F222 VanDerWaalsContact C-N 3.26Å; K220-F222 PolarHBondContact O-N 3.38Å; F222-L225 HydrophobicContact CD1-CD1 4.09Å; F222-L225 HydrophobicContact CE1-CD1 4.32Å; F222-L225 HydrophobicContact CG-CD1 4.36Å; F222-R229 PolarHBondContact O-NH1 3.25Å; F222-R229 PolarHBondContact O-NH2 2.92Å; F222-I231 HydrophobicContact CD1-CD1 4.38Å; F222-I231 HydrophobicContact CE1-CD1 3.64Å; F222-I231 HydrophobicContact CE1-CG1 4.11Å; F222-I231 HydrophobicContact CZ-CD1 4.48Å; F222-F245 HydrophobicContact CD2-CE2 4.06Å; F222-F245 HydrophobicContact CD2-CZ 4.33Å; F222-F245 HydrophobicContact CE1-CZ 4.11Å; F222-F245 AromaticContact CE2-CE2 3.66Å; F222-F245 HydrophobicContact CE2-CE2 3.66Å; F222-F245 AromaticContact CE2-CZ 3.61Å; F222-F245 HydrophobicContact CE2-CZ 3.61Å; F222-F245 HydrophobicContact CZ-CE2 4.04Å; F222-F245 AromaticContact CZ-CZ 3.49Å; F222-F245 HydrophobicContact CZ-CZ 3.49Å; F222-F245 VanDerWaalsContact CZ-CZ 3.49Å; F222-Y249 HydrophobicContact CB-CD1 4.16Å; F222-Y249 HydrophobicContact CB-CE1 3.65Å; F222-Y249 HydrophobicContact CD1-CD1 4.12Å; F222-Y249 HydrophobicContact CD1-CE1 4.45Å; F222-Y249 HydrophobicContact CD1-CG 4.43Å; F222-Y249 HydrophobicContact CG-CD1 4.2Å; F222-Y249 HydrophobicContact CG-CE1 4.1Å
223	S	95.8	Very high	94.7	Very high	87 Å²	87	52.3 Å²	52.3	61%	0.608	27%	0.274	S	S	*	.	H	α-helix	trans	-76.7	-20.8	173.5	77.5	0	0	0	0	113.8	D219 K220 V221	D219-S223 PolarHBondContact O-N 3.5Å; K220-S223 WeakPolarHBondContact O-CB 3.47Å; K220-S223 PolarHBondContact O-N 2.85Å; K220-S223 PolarHBondContact O-OG 3.43Å; V221-S223 PolarHBondContact O-N 2.98Å
224	F	97.5	Very high	95.3	Very high	78 Å²	78	47 Å²	47	34%	0.342	25%	0.246	S	C	.	.	H	α-helix	trans	-87.1	-13	173.9	-72.5	-78.5	0	0	0	113.3	L185 M188 D189 K220 V221	L185-F224 HydrophobicContact CD1-CD2 4.23Å; L185-F224 HydrophobicContact CD1-CE2 3.83Å; M188-F224 HydrophobicContact CB-CB 4.39Å; M188-F224 HydrophobicContact CB-CD1 4.14Å; M188-F224 HydrophobicContact CB-CD2 3.85Å; M188-F224 HydrophobicContact CB-CE1 4.37Å; M188-F224 HydrophobicContact CB-CE2 4.12Å; M188-F224 HydrophobicContact CB-CG 3.87Å; M188-F224 HydrophobicContact CB-CZ 4.37Å; M188-F224 HydrophobicContact CG-CB 4.33Å; M188-F224 HydrophobicContact CG-CD2 4.47Å; M188-F224 HydrophobicContact CG-CG 4.34Å; M188-F224 HydrophobicContact SD-CB 3.89Å; M188-F224 HydrophobicContact SD-CD2 4.02Å; M188-F224 HydrophobicContact SD-CG 4.16Å; D189-F224 WeakPolarHBondContact OD1-CE2 3.07Å; D189-F224 WeakPolarHBondContact OD1-CZ 3.33Å; K220-F224 VanDerWaalsContact O-CD2 3.26Å; K220-F224 WeakPolarHBondContact O-CD2 3.22Å; K220-F224 PolarHBondContact O-N 2.91Å; V221-F224 PolarHBondContact O-N 3.15Å; V221-F224 VanDerWaalsContact O-N 3.11Å
225	L	97.4	Very high	95.5	Very high	10 Å²	10	45 Å²	45	5%	0.052	24%	0.237	C	C	.	.	S	Bend	trans	-89.4	151.5	-175.5	-65.8	164.8	0	0	0	110.8	L127 M195 C198 V201 V221 F222 R229	L127-L225 HydrophobicContact CD2-CD2 4.35Å; M195-L225 HydrophobicContact CB-CD2 4.05Å; M195-L225 HydrophobicContact CG-CD2 4.34Å; M195-L225 HydrophobicContact SD-CD2 4.46Å; C198-L225 HydrophobicContact CB-CD2 3.94Å; V201-L225 HydrophobicContact CG1-CD1 4.26Å; V201-L225 HydrophobicContact CG2-CD1 3.73Å; V201-L225 HydrophobicContact CG2-CD2 4.19Å; V201-L225 HydrophobicContact CG2-CG 4.48Å; V221-L225 HydrophobicContact CG1-CD1 4.1Å; V221-L225 WeakPolarHBondContact O-CG 3.4Å; F222-L225 HydrophobicContact CD1-CD1 4.09Å; F222-L225 HydrophobicContact CE1-CD1 4.32Å; F222-L225 HydrophobicContact CG-CD1 4.36Å; L225-R229 VanDerWaalsContact CB-NH1 3.29Å; L225-R229 PolarHBondContact O-NH1 2.94Å
226	P	96.7	Very high	95.5	Very high	33 Å²	33	40.9 Å²	40.9	21%	0.214	22%	0.219	C	C	.	.			trans	-62.7	141.3	177.9	-21.3	34.7	0	0	0	111.7	M195 T196 C198 N228 R229	M195-P226 WeakPolarHBondContact O-CD 3.36Å; T196-P226 WeakPolarHBondContact O-CG 3.43Å; C198-P226 VanDerWaalsContact O-CD 3.32Å; C198-P226 WeakPolarHBondContact O-CD 3.41Å; P226-N228 VanDerWaalsContact C-N 3.29Å; P226-N228 PolarHBondContact O-N 3.43Å; P226-R229 VanDerWaalsContact C-NH1 3.3Å; P226-R229 WeakPolarHBondContact O-CD 3.15Å; P226-R229 VanDerWaalsContact O-CG 3.28Å; P226-R229 WeakPolarHBondContact O-CG 3.27Å; P226-R229 PolarHBondContact O-NH1 3.29Å
227	E	92.6	Very high	95.2	Very high	182 Å²	182	39.7 Å²	39.7	85%	0.85	20%	0.202	S	C	*	.	S	Bend	trans	-60.9	-38	-179.6	-67.6	-169.9	168.2	0	0	113	R229	E227-R229 PolarHBondContact O-N 3.37Å
228	N	93.8	Very high	94.8	Very high	150 Å²	150	40.3 Å²	40.3	80%	0.802	20%	0.204	S	C	*	.	S	Bend	trans	-89.4	96.3	174	-171.1	19.9	0	0	0	109.8	P226	P226-N228 VanDerWaalsContact C-N 3.29Å; P226-N228 PolarHBondContact O-N 3.43Å
229	R	95.9	Very high	94.1	Very high	40 Å²	40	42.6 Å²	42.6	15%	0.151	22%	0.218	C	C	.	.			trans	-147.6	152.7	-177.3	59.2	-176.1	168.9	-118.7	3.9	109.7	S199 F222 L225 P226 E227 I231	S199-R229 CarbonylContact O-C 3.54Å; S199-R229 VanDerWaalsContact O-CA 3.25Å; S199-R229 WeakPolarHBondContact O-CA 3.28Å; S199-R229 WeakPolarHBondContact O-CB 3.5Å; F222-R229 PolarHBondContact O-NH1 3.25Å; F222-R229 PolarHBondContact O-NH2 2.92Å; L225-R229 VanDerWaalsContact CB-NH1 3.29Å; L225-R229 PolarHBondContact O-NH1 2.94Å; P226-R229 VanDerWaalsContact C-NH1 3.3Å; P226-R229 WeakPolarHBondContact O-CD 3.15Å; P226-R229 VanDerWaalsContact O-CG 3.28Å; P226-R229 WeakPolarHBondContact O-CG 3.27Å; P226-R229 PolarHBondContact O-NH1 3.29Å; E227-R229 PolarHBondContact O-N 3.37Å; R229-I231 HydrophobicContact CG-CG1 4.31Å
230	Q	97.9	Very high	93.6	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.8	167	-178.8	-175.9	28.9	0	0	109.6	A89 G92 Q93 D94 S199 T200 V201 M232	A89-Q230 PolarHBondContact O-NE2 3.21Å; G92-Q230 WeakPolarHBondContact O-CG 2.96Å; Q93-Q230 PolarHBondContact O-NE2 3.08Å; D94-Q230 WeakPolarHBondContact OD1-CA 3.42Å; S199-Q230 PolarHBondContact O-N 3.47Å; T200-Q230 WeakPolarHBondContact CA-O 3.5Å; V201-Q230 PolarHBondContact N-O 3.04Å; Q230-M232 HydrophobicContact CG-CG 4.11Å
231	I	98.1	Very high	93.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.9	172.3	-56.1	172.4	0	0	0	108.5	D94 I95 V201 F222 R229 F245 Y249 M250	D94-I231 CarbonylContact C-O 3.58Å; D94-I231 VanDerWaalsContact CA-O 3.24Å; D94-I231 WeakPolarHBondContact CA-O 3.3Å; D94-I231 PolarHBondContact OD1-N 2.97Å; I95-I231 PolarHBondContact N-O 3.27Å; V201-I231 CarbonylContact O-C 3.6Å; V201-I231 WeakPolarHBondContact O-CA 3.44Å; F222-I231 HydrophobicContact CD1-CD1 4.38Å; F222-I231 HydrophobicContact CE1-CD1 3.64Å; F222-I231 HydrophobicContact CE1-CG1 4.11Å; F222-I231 HydrophobicContact CZ-CD1 4.48Å; R229-I231 HydrophobicContact CG-CG1 4.31Å; I231-F245 HydrophobicContact CG2-CE1 4.49Å; I231-Y249 WeakPolarHBondContact CD1-O 3.43Å; I231-M250 HydrophobicContact CB-CE 3.81Å; I231-M250 HydrophobicContact CB-CG 4.2Å; I231-M250 HydrophobicContact CB-SD 4.47Å; I231-M250 HydrophobicContact CD1-CG 4.14Å; I231-M250 HydrophobicContact CG2-CE 3.77Å; I231-M250 HydrophobicContact CG2-CG 4.12Å; I231-M250 HydrophobicContact CG2-SD 4.02Å; I231-M250 WeakPolarHBondContact O-CE 3.26Å
232	M	98.2	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.7	172.8	-54.1	179.7	-82.2	0	0	110.3	A89 I95 I113 T200 V201 V202 L203 Q230 Y234	A89-M232 HydrophobicContact CB-SD 3.62Å; I95-M232 HydrophobicContact CB-CB 4.25Å; I95-M232 HydrophobicContact CB-CG 4.16Å; I95-M232 HydrophobicContact CD1-SD 4.37Å; I95-M232 HydrophobicContact CG1-CG 4.46Å; I95-M232 CarbonylContact O-C 3.53Å; I95-M232 WeakPolarHBondContact O-CA 3.42Å; I113-M232 HydrophobicContact CD1-CE 4.05Å; I113-M232 HydrophobicContact CG1-CE 3.86Å; T200-M232 HydrophobicContact CG2-CE 3.55Å; V201-M232 PolarHBondContact O-N 3.36Å; V202-M232 CarbonylContact C-O 3.58Å; V202-M232 VanDerWaalsContact CA-O 3.26Å; V202-M232 WeakPolarHBondContact CA-O 3.28Å; V202-M232 HydrophobicContact CG2-CB 4.22Å; V202-M232 HydrophobicContact CG2-CE 3.51Å; L203-M232 PolarHBondContact N-O 2.6Å; Q230-M232 HydrophobicContact CG-CG 4.11Å; M232-Y234 HydrophobicContact CB-CD2 4.47Å; M232-Y234 HydrophobicContact CB-CE2 3.8Å
233	L	97	Very high	92.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.5	-176.6	-172.7	161.4	0	0	0	109.4	I95 M96 A97 A206 L210 L242 F245 L246 M250	I95-L233 PolarHBondContact O-N 3.25Å; M96-L233 HydrophobicContact CG-CD2 4.48Å; A97-L233 PolarHBondContact N-O 3.43Å; A206-L233 HydrophobicContact CB-CD1 3.88Å; A206-L233 HydrophobicContact CB-CD2 3.35Å; A206-L233 HydrophobicContact CB-CG 3.37Å; L210-L233 HydrophobicContact CD1-CD1 3.91Å; L233-L242 HydrophobicContact CD1-CD1 4.3Å; L233-L242 HydrophobicContact CD1-CD2 4.3Å; L233-L242 HydrophobicContact CD1-CG 4.01Å; L233-L242 HydrophobicContact CD2-CD1 3.84Å; L233-L242 HydrophobicContact CD2-CG 4.39Å; L233-F245 HydrophobicContact CD1-CD1 4.28Å; L233-L246 HydrophobicContact CD1-CD2 4.21Å; L233-M250 HydrophobicContact CB-SD 4.47Å
234	Y	96.3	Very high	91.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.7	175.6	-68.7	-99.1	0	0	0	110.5	I81 S85 A97 K105 A108 Y109 V202 L203 E205 A206 M232	I81-Y234 HydrophobicContact CD1-CE1 4.33Å; I81-Y234 HydrophobicContact CG1-CE1 4.26Å; S85-Y234 PolarHBondContact OG-OH 2.92Å; A97-Y234 HydrophobicContact CB-CD1 3.46Å; A97-Y234 VanDerWaalsContact CB-CD1 3.46Å; A97-Y234 HydrophobicContact CB-CE1 3.57Å; A97-Y234 HydrophobicContact CB-CG 4.1Å; A97-Y234 WeakPolarHBondContact O-CA 3.37Å; K105-Y234 HydrophobicContact CB-CD1 4.19Å; K105-Y234 HydrophobicContact CG-CD1 4.31Å; A108-Y234 HydrophobicContact CB-CE1 3.8Å; A108-Y234 PolarHBondContact O-OH 3.07Å; Y109-Y234 AromaticContact CD1-CD2 3.69Å; Y109-Y234 HydrophobicContact CD1-CD2 3.69Å; Y109-Y234 AromaticContact CD1-CE2 3.81Å; Y109-Y234 HydrophobicContact CD1-CE2 3.81Å; Y109-Y234 HydrophobicContact CD1-CG 4.1Å; Y109-Y234 HydrophobicContact CG-CD2 4.44Å; Y109-Y234 HydrophobicContact CG-CE2 4.19Å; V202-Y234 HydrophobicContact CG1-CD2 4.35Å; L203-Y234 PolarHBondContact O-N 3.48Å; E205-Y234 PolarHBondContact N-O 3.31Å; A206-Y234 PolarHBondContact N-O 2.85Å; A206-Y234 VanDerWaalsContact N-O 3.12Å; M232-Y234 HydrophobicContact CB-CD2 4.47Å; M232-Y234 HydrophobicContact CB-CE2 3.8Å
235	S	93	Very high	91.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.7	-178.9	-165.7	0	0	0	0	112.8	A97 R98 A99 D207 T237	A97-S235 PolarHBondContact O-N 2.94Å; R98-S235 WeakPolarHBondContact CA-O 3.41Å; A99-S235 PolarHBondContact N-O 3.29Å; A99-S235 VanDerWaalsContact N-O 3.16Å; D207-S235 WeakPolarHBondContact CB-OG 3.3Å; D207-S235 PolarHBondContact N-OG 3.24Å; S235-T237 WeakPolarHBondContact CB-O 3.07Å; S235-T237 PolarHBondContact OG-N 3.03Å; S235-T237 PolarHBondContact OG-O 3.32Å
236	A	87.7	Confident	91	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-83.4	-33.3	168.9	0	0	0	0	0	111.7	L377	A236-L377 HydrophobicContact CB-CD2 4.38Å
237	T	85.6	Confident	90.6	Very high	22 Å²	22	46.7 Å²	46.7	14%	0.135	25%	0.247	C	C	.	.			trans	-124.4	158.2	-176.8	77	0	0	0	0	112	D207 S235 E374 L377	D207-T237 WeakPolarHBondContact CB-OG1 3.42Å; D207-T237 VanDerWaalsContact CG-OG1 3.32Å; D207-T237 PolarHBondContact OD2-OG1 3.38Å; S235-T237 WeakPolarHBondContact CB-O 3.07Å; S235-T237 PolarHBondContact OG-N 3.03Å; S235-T237 PolarHBondContact OG-O 3.32Å; T237-E374 HydrophobicContact CG2-CG 4.3Å; T237-L377 HydrophobicContact CG2-CD2 3.96Å
238	F	86.6	Confident	90.6	Very high	64 Å²	64	43.7 Å²	43.7	28%	0.281	23%	0.231	S	C	.	.			trans	-128.7	76.3	-172.3	-83.8	-107.5	0	0	0	110.6	M96 R98 L242	M96-F238 HydrophobicContact CE-CD1 4.5Å; M96-F238 HydrophobicContact CE-CE1 3.69Å; M96-F238 HydrophobicContact CE-CZ 4.36Å; M96-F238 HydrophobicContact CG-CE1 3.72Å; M96-F238 HydrophobicContact CG-CZ 4.03Å; M96-F238 HydrophobicContact SD-CE1 3.64Å; M96-F238 HydrophobicContact SD-CZ 4.48Å; R98-F238 HydrophobicContact CB-CD2 4.09Å; R98-F238 HydrophobicContact CB-CE2 3.3Å; R98-F238 HydrophobicContact CB-CZ 3.74Å; R98-F238 VanDerWaalsContact CD-CD2 3.49Å; R98-F238 HydrophobicContact CG-CD2 3.75Å; R98-F238 HydrophobicContact CG-CE2 3.4Å; R98-F238 VanDerWaalsContact CG-CE2 3.4Å; R98-F238 HydrophobicContact CG-CZ 4.32Å; F238-L242 HydrophobicContact CD1-CD1 3.92Å; F238-L242 HydrophobicContact CD1-CD2 3.58Å; F238-L242 HydrophobicContact CD1-CG 4.37Å; F238-L242 HydrophobicContact CE1-CD1 3.96Å; F238-L242 HydrophobicContact CE1-CD2 3.59Å; F238-L242 HydrophobicContact CE1-CG 4.46Å; F238-L242 HydrophobicContact CG-CD1 4.23Å; F238-L242 HydrophobicContact CZ-CD1 4.29Å
239	P	81.8	Confident	90.5	Very high	48 Å²	48	38.5 Å²	38.5	31%	0.312	20%	0.201	S	C	.	.			trans	-72	160.6	173.8	31.2	-35	0	0	0	111.3	D207 S241 L242	D207-P239 HydrophobicContact CB-CG 4.17Å; P239-S241 PolarHBondContact O-N 2.95Å; P239-S241 VanDerWaalsContact O-N 3.1Å; P239-L242 HydrophobicContact CG-CB 4.33Å; P239-L242 VanDerWaalsContact O-CB 3.23Å; P239-L242 WeakPolarHBondContact O-CB 3.47Å; P239-L242 PolarHBondContact O-N 3.09Å
240	T	84.2	Confident	90.4	Very high	113 Å²	113	37.3 Å²	37.3	69%	0.693	20%	0.197	S	C	*	.	H	α-helix	trans	-56.8	-28.1	177.5	-45	0	0	0	0	113.4	L242 E243 S244	T240-L242 PolarHBondContact O-N 3.32Å; T240-E243 WeakPolarHBondContact O-CB 3.38Å; T240-E243 PolarHBondContact O-N 3.42Å; T240-S244 PolarHBondContact O-N 2.92Å; T240-S244 VanDerWaalsContact O-N 3.1Å
241	S	85.2	Confident	89.7	Confident	30 Å²	30	45 Å²	45	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-31.3	175.6	61.3	0	0	0	0	112.7	L210 P239 S244 F245	L210-S241 WeakPolarHBondContact O-CB 3.04Å; L210-S241 PolarHBondContact O-OG 3.15Å; P239-S241 PolarHBondContact O-N 2.95Å; P239-S241 VanDerWaalsContact O-N 3.1Å; S241-S244 PolarHBondContact O-N 2.89Å; S241-S244 PolarHBondContact O-OG 3.44Å; S241-F245 PolarHBondContact O-N 3.45Å
242	L	86.2	Confident	89.3	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-47	174.9	-171	157.2	0	0	0	110.4	M96 A206 L210 L233 F238 P239 T240 S244 F245 L246	M96-L242 HydrophobicContact SD-CD2 4.36Å; A206-L242 HydrophobicContact CB-CD1 4.44Å; L210-L242 HydrophobicContact CD1-CB 4.09Å; L210-L242 HydrophobicContact CD1-CG 3.93Å; L233-L242 HydrophobicContact CD1-CD1 4.3Å; L233-L242 HydrophobicContact CD1-CD2 4.3Å; L233-L242 HydrophobicContact CD1-CG 4.01Å; L233-L242 HydrophobicContact CD2-CD1 3.84Å; L233-L242 HydrophobicContact CD2-CG 4.39Å; F238-L242 HydrophobicContact CD1-CD1 3.92Å; F238-L242 HydrophobicContact CD1-CD2 3.58Å; F238-L242 HydrophobicContact CD1-CG 4.37Å; F238-L242 HydrophobicContact CE1-CD1 3.96Å; F238-L242 HydrophobicContact CE1-CD2 3.59Å; F238-L242 HydrophobicContact CE1-CG 4.46Å; F238-L242 HydrophobicContact CG-CD1 4.23Å; F238-L242 HydrophobicContact CZ-CD1 4.29Å; P239-L242 HydrophobicContact CG-CB 4.33Å; P239-L242 VanDerWaalsContact O-CB 3.23Å; P239-L242 WeakPolarHBondContact O-CB 3.47Å; P239-L242 PolarHBondContact O-N 3.09Å; T240-L242 PolarHBondContact O-N 3.32Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.21Å; L242-F245 WeakPolarHBondContact O-CB 3.42Å; L242-F245 PolarHBondContact O-N 3.13Å; L242-L246 HydrophobicContact CD2-CD1 3.69Å; L242-L246 HydrophobicContact CD2-CD2 4.19Å; L242-L246 HydrophobicContact CD2-CG 3.86Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.19Å
243	E	86.5	Confident	89.2	Confident	112 Å²	112	51 Å²	51	52%	0.523	27%	0.272	S	S	.	.	H	α-helix	trans	-56.8	-43.6	175.6	-173	-179.3	-174.2	0	0	112.1	T240 F245 L246 N247	T240-E243 WeakPolarHBondContact O-CB 3.38Å; T240-E243 PolarHBondContact O-N 3.42Å; E243-F245 PolarHBondContact O-N 2.89Å; E243-L246 PolarHBondContact O-N 2.94Å; E243-N247 PolarHBondContact O-N 2.83Å; E243-N247 VanDerWaalsContact O-N 3.12Å; E243-N247 PolarHBondContact O-ND2 3.22Å
244	S	87.8	Confident	89.2	Confident	46 Å²	46	54.9 Å²	54.9	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-31.8	176.6	78.2	0	0	0	0	113.3	T240 S241 L242 K248	T240-S244 PolarHBondContact O-N 2.92Å; T240-S244 VanDerWaalsContact O-N 3.1Å; S241-S244 PolarHBondContact O-N 2.89Å; S241-S244 PolarHBondContact O-OG 3.44Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.21Å; S244-K248 WeakPolarHBondContact O-CB 3.4Å; S244-K248 PolarHBondContact O-N 3.49Å
245	F	90.7	Very high	89.1	Confident	10 Å²	10	61.1 Å²	61.1	4%	0.044	32%	0.316	C	S	.	.	H	α-helix	trans	-74.4	-43.6	176.3	176.9	-86.2	0	0	0	111.4	L203 L210 F222 I231 L233 S241 L242 E243 N247 K248 Y249 M250	L203-F245 HydrophobicContact CD1-CE1 3.8Å; L203-F245 HydrophobicContact CD1-CE2 4.1Å; L203-F245 HydrophobicContact CD1-CZ 3.54Å; L210-F245 HydrophobicContact CD1-CB 3.78Å; L210-F245 HydrophobicContact CD1-CD1 4.02Å; L210-F245 HydrophobicContact CD1-CD2 4.46Å; L210-F245 HydrophobicContact CD1-CG 3.83Å; L210-F245 HydrophobicContact CD2-CB 3.9Å; L210-F245 HydrophobicContact CD2-CD1 4.25Å; L210-F245 HydrophobicContact CD2-CD2 3.31Å; L210-F245 HydrophobicContact CD2-CE2 3.89Å; L210-F245 HydrophobicContact CD2-CG 3.54Å; L210-F245 HydrophobicContact CG-CB 4.41Å; L210-F245 HydrophobicContact CG-CG 4.35Å; F222-F245 HydrophobicContact CD2-CE2 4.06Å; F222-F245 HydrophobicContact CD2-CZ 4.33Å; F222-F245 HydrophobicContact CE1-CZ 4.11Å; F222-F245 AromaticContact CE2-CE2 3.66Å; F222-F245 HydrophobicContact CE2-CE2 3.66Å; F222-F245 AromaticContact CE2-CZ 3.61Å; F222-F245 HydrophobicContact CE2-CZ 3.61Å; F222-F245 HydrophobicContact CZ-CE2 4.04Å; F222-F245 AromaticContact CZ-CZ 3.49Å; F222-F245 HydrophobicContact CZ-CZ 3.49Å; F222-F245 VanDerWaalsContact CZ-CZ 3.49Å; I231-F245 HydrophobicContact CG2-CE1 4.49Å; L233-F245 HydrophobicContact CD1-CD1 4.28Å; S241-F245 PolarHBondContact O-N 3.45Å; L242-F245 WeakPolarHBondContact O-CB 3.42Å; L242-F245 PolarHBondContact O-N 3.13Å; E243-F245 PolarHBondContact O-N 2.89Å; F245-N247 VanDerWaalsContact C-N 3.32Å; F245-N247 PolarHBondContact O-N 3.23Å; F245-K248 PolarHBondContact O-N 3Å; F245-K248 VanDerWaalsContact O-N 3.09Å; F245-Y249 HydrophobicContact CD1-CD2 4.48Å; F245-Y249 AromaticContact CD2-CD2 3.36Å; F245-Y249 HydrophobicContact CD2-CD2 3.36Å; F245-Y249 AromaticContact CD2-CE2 3.73Å; F245-Y249 HydrophobicContact CD2-CE2 3.73Å; F245-Y249 HydrophobicContact CD2-CG 4.46Å; F245-Y249 HydrophobicContact CE1-CD2 4.35Å; F245-Y249 AromaticContact CE2-CD2 3.2Å; F245-Y249 HydrophobicContact CE2-CD2 3.2Å; F245-Y249 AromaticContact CE2-CE2 3.64Å; F245-Y249 HydrophobicContact CE2-CE2 3.64Å; F245-Y249 HydrophobicContact CE2-CG 4.01Å; F245-Y249 HydrophobicContact CG-CD2 4.01Å; F245-Y249 AromaticContact CZ-CD2 3.72Å; F245-Y249 HydrophobicContact CZ-CD2 3.72Å; F245-Y249 HydrophobicContact CZ-CG 4.11Å; F245-Y249 PolarHBondContact O-N 3.37Å; F245-M250 HydrophobicContact CE1-CG 4.34Å; F245-M250 HydrophobicContact CE1-SD 4.39Å
246	L	88.9	Confident	89.3	Confident	20 Å²	20	61.5 Å²	61.5	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-54.4	-51.1	177.1	-62.4	174	0	0	0	110.6	M96 L233 L242 E243 K248 Y249 M250 P253	M96-L246 HydrophobicContact CB-CD2 4.41Å; M96-L246 HydrophobicContact CG-CD2 4.07Å; M96-L246 HydrophobicContact SD-CD1 3.26Å; M96-L246 WeakPolarHBondContact SD-CD1 3.41Å; M96-L246 HydrophobicContact SD-CD2 3.8Å; M96-L246 HydrophobicContact SD-CG 4.15Å; L233-L246 HydrophobicContact CD1-CD2 4.21Å; L242-L246 HydrophobicContact CD2-CD1 3.69Å; L242-L246 HydrophobicContact CD2-CD2 4.19Å; L242-L246 HydrophobicContact CD2-CG 3.86Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.19Å; E243-L246 PolarHBondContact O-N 2.94Å; L246-K248 PolarHBondContact O-N 3.14Å; L246-Y249 PolarHBondContact O-N 3.14Å; L246-M250 HydrophobicContact CD2-CG 4.41Å; L246-M250 HydrophobicContact CD2-SD 3.41Å; L246-M250 WeakPolarHBondContact CD2-SD 3.31Å; L246-M250 PolarHBondContact O-N 2.86Å; L246-P253 HydrophobicContact CD2-CG 4.44Å
247	N	89.1	Confident	89.5	Confident	131 Å²	131	66.2 Å²	66.2	70%	0.701	34%	0.344	S	S	*	.	H	α-helix	trans	-62.8	-24.6	-178.5	-68.2	-20.7	0	0	0	113.1	E243 F245	E243-N247 PolarHBondContact O-N 2.83Å; E243-N247 VanDerWaalsContact O-N 3.12Å; E243-N247 PolarHBondContact O-ND2 3.22Å; F245-N247 VanDerWaalsContact C-N 3.32Å; F245-N247 PolarHBondContact O-N 3.23Å
248	K	91.8	Very high	89.5	Confident	119 Å²	119	68.2 Å²	68.2	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-89.6	-38.2	-177.9	-175	174.8	175.3	-170.2	0	113.1	D219 S244 F245 L246	D219-K248 IonicContact OD1-NZ 2.89Å; D219-K248 PolarHBondContact OD1-NZ 3.37Å; D219-K248 IonicContact OD2-NZ 2.96Å; D219-K248 PolarHBondContact OD2-NZ 3.27Å; S244-K248 WeakPolarHBondContact O-CB 3.4Å; S244-K248 PolarHBondContact O-N 3.49Å; F245-K248 PolarHBondContact O-N 3Å; F245-K248 VanDerWaalsContact O-N 3.09Å; L246-K248 PolarHBondContact O-N 3.14Å
249	Y	92.9	Very high	89.3	Confident	41 Å²	41	65.8 Å²	65.8	16%	0.161	34%	0.343	C	S	.	.	H	α-helix	trans	-120.8	-23.9	-166.6	-67.6	-67.8	0	0	0	115.8	D219 F222 I231 F245 L246	D219-Y249 WeakPolarHBondContact CA-OH 3.47Å; D219-Y249 VanDerWaalsContact CG-OH 3.3Å; D219-Y249 WeakPolarHBondContact OD1-CE2 3.38Å; D219-Y249 PolarHBondContact OD1-OH 3.07Å; F222-Y249 HydrophobicContact CB-CD1 4.16Å; F222-Y249 HydrophobicContact CB-CE1 3.65Å; F222-Y249 HydrophobicContact CD1-CD1 4.12Å; F222-Y249 HydrophobicContact CD1-CE1 4.45Å; F222-Y249 HydrophobicContact CD1-CG 4.43Å; F222-Y249 HydrophobicContact CG-CD1 4.2Å; F222-Y249 HydrophobicContact CG-CE1 4.1Å; I231-Y249 WeakPolarHBondContact CD1-O 3.43Å; F245-Y249 HydrophobicContact CD1-CD2 4.48Å; F245-Y249 AromaticContact CD2-CD2 3.36Å; F245-Y249 HydrophobicContact CD2-CD2 3.36Å; F245-Y249 AromaticContact CD2-CE2 3.73Å; F245-Y249 HydrophobicContact CD2-CE2 3.73Å; F245-Y249 HydrophobicContact CD2-CG 4.46Å; F245-Y249 HydrophobicContact CE1-CD2 4.35Å; F245-Y249 AromaticContact CE2-CD2 3.2Å; F245-Y249 HydrophobicContact CE2-CD2 3.2Å; F245-Y249 AromaticContact CE2-CE2 3.64Å; F245-Y249 HydrophobicContact CE2-CE2 3.64Å; F245-Y249 HydrophobicContact CE2-CG 4.01Å; F245-Y249 HydrophobicContact CG-CD2 4.01Å; F245-Y249 AromaticContact CZ-CD2 3.72Å; F245-Y249 HydrophobicContact CZ-CD2 3.72Å; F245-Y249 HydrophobicContact CZ-CG 4.11Å; F245-Y249 PolarHBondContact O-N 3.37Å; L246-Y249 PolarHBondContact O-N 3.14Å
250	M	91.9	Very high	89.2	Confident	15 Å²	15	71.4 Å²	71.4	7%	0.074	37%	0.365	C	S	.	.			trans	-105.8	139.5	-172.7	-60	-172.9	81.4	0	0	111.1	D94 I95 I231 L233 F245 L246 P253	D94-M250 HydrophobicContact CB-CE 3.74Å; D94-M250 WeakPolarHBondContact OD2-CA 3.37Å; I95-M250 VanDerWaalsContact O-CE 3.27Å; I95-M250 WeakPolarHBondContact O-CE 3.25Å; I231-M250 HydrophobicContact CB-CE 3.81Å; I231-M250 HydrophobicContact CB-CG 4.2Å; I231-M250 HydrophobicContact CB-SD 4.47Å; I231-M250 HydrophobicContact CD1-CG 4.14Å; I231-M250 HydrophobicContact CG2-CE 3.77Å; I231-M250 HydrophobicContact CG2-CG 4.12Å; I231-M250 HydrophobicContact CG2-SD 4.02Å; I231-M250 WeakPolarHBondContact O-CE 3.26Å; L233-M250 HydrophobicContact CB-SD 4.47Å; F245-M250 HydrophobicContact CE1-CG 4.34Å; F245-M250 HydrophobicContact CE1-SD 4.39Å; L246-M250 HydrophobicContact CD2-CG 4.41Å; L246-M250 HydrophobicContact CD2-SD 3.41Å; L246-M250 WeakPolarHBondContact CD2-SD 3.31Å; L246-M250 PolarHBondContact O-N 2.86Å; M250-P253 HydrophobicContact CB-CB 4.36Å; M250-P253 HydrophobicContact CB-CG 4.15Å; M250-P253 HydrophobicContact CE-CB 3.71Å; M250-P253 HydrophobicContact CE-CG 4.46Å; M250-P253 HydrophobicContact SD-CB 4.35Å; M250-P253 HydrophobicContact SD-CG 4.49Å
251	K	84	Confident	89.1	Confident	169 Å²	169	70.9 Å²	70.9	74%	0.735	35%	0.354	S	S	*	.	S	Bend	trans	-103.1	98.7	179.6	-67.1	178	-176.7	172	0	109.3	D94	D94-K251 PolarHBondContact OD2-N 2.93Å; D94-K251 VanDerWaalsContact OD2-N 3.15Å
252	S	90.6	Very high	89	Confident	107 Å²	107	70.9 Å²	70.9	75%	0.748	35%	0.352	S	S	*	.	S	Bend	trans	46.4	60.6	178.2	-61.2	0	0	0	0	113.1
253	P	95.4	Very high	89	Confident	21 Å²	21	71.2 Å²	71.2	14%	0.136	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-62.4	142.6	-175.8	28.8	-36.3	0	0	0	111.1	D94 M96 L246 M250 Q255	D94-P253 HydrophobicContact CB-CB 3.92Å; D94-P253 CarbonylContact O-C 3.57Å; D94-P253 WeakPolarHBondContact O-CA 3.27Å; M96-P253 HydrophobicContact CB-CB 4.16Å; M96-P253 HydrophobicContact CB-CG 4.31Å; L246-P253 HydrophobicContact CD2-CG 4.44Å; M250-P253 HydrophobicContact CB-CB 4.36Å; M250-P253 HydrophobicContact CB-CG 4.15Å; M250-P253 HydrophobicContact CE-CB 3.71Å; M250-P253 HydrophobicContact CE-CG 4.46Å; M250-P253 HydrophobicContact SD-CB 4.35Å; M250-P253 HydrophobicContact SD-CG 4.49Å; P253-Q255 WeakPolarHBondContact O-CG 3.36Å; P253-Q255 PolarHBondContact O-N 3.26Å
254	Y	96.8	Very high	88.9	Confident	82 Å²	82	66.4 Å²	66.4	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.5	170.7	-170.3	-99.2	0	0	0	109.3	V88 D94 M96 I256	V88-Y254 HydrophobicContact CB-CD1 4.27Å; V88-Y254 HydrophobicContact CG1-CD1 3.81Å; V88-Y254 HydrophobicContact CG1-CD2 4.5Å; V88-Y254 HydrophobicContact CG1-CG 3.73Å; V88-Y254 HydrophobicContact CG2-CD1 3.79Å; V88-Y254 HydrophobicContact CG2-CE1 3.79Å; V88-Y254 HydrophobicContact CG2-CG 4.28Å; D94-Y254 PolarHBondContact O-N 2.88Å; M96-Y254 PolarHBondContact N-O 3.37Å; Y254-I256 HydrophobicContact CD1-CD1 4.06Å; Y254-I256 HydrophobicContact CD1-CG1 3.62Å; Y254-I256 HydrophobicContact CE1-CD1 4.21Å; Y254-I256 HydrophobicContact CE1-CG1 3.65Å
255	Q	95.6	Very high	89	Confident	131 Å²	131	68.3 Å²	68.3	61%	0.612	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.2	-175.3	-57.8	-167.9	-1.7	0	0	110.4	M96 P253	M96-Q255 HydrophobicContact CE-CB 3.9Å; M96-Q255 VanDerWaalsContact CE-CD 3.41Å; M96-Q255 HydrophobicContact CE-CG 3.55Å; M96-Q255 WeakPolarHBondContact O-CA 3.44Å; M96-Q255 HydrophobicContact SD-CG 4.41Å; P253-Q255 WeakPolarHBondContact O-CG 3.36Å; P253-Q255 PolarHBondContact O-N 3.26Å
256	I	95.2	Very high	89.1	Confident	9 Å²	9	67.9 Å²	67.9	5%	0.046	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.6	175	-60	170.4	0	0	0	107.2	I81 A84 I95 M96 A97 R98 Y254 L258	I81-I256 HydrophobicContact CD1-CG2 3.84Å; A84-I256 HydrophobicContact CB-CD1 4.26Å; A84-I256 HydrophobicContact CB-CG2 3.97Å; A84-I256 WeakPolarHBondContact O-CD1 3.36Å; I95-I256 HydrophobicContact CG2-CD1 4.02Å; M96-I256 PolarHBondContact O-N 3.42Å; A97-I256 CarbonylContact C-O 3.59Å; A97-I256 WeakPolarHBondContact CA-O 3.36Å; A97-I256 HydrophobicContact CB-CB 4.33Å; R98-I256 PolarHBondContact N-O 2.73Å; Y254-I256 HydrophobicContact CD1-CD1 4.06Å; Y254-I256 HydrophobicContact CD1-CG1 3.62Å; Y254-I256 HydrophobicContact CE1-CD1 4.21Å; Y254-I256 HydrophobicContact CE1-CG1 3.65Å; I256-L258 HydrophobicContact CG2-CD1 4.08Å; I256-L258 HydrophobicContact CG2-CD2 4.33Å; I256-L258 HydrophobicContact CG2-CG 3.83Å
257	N	92.6	Very high	89.3	Confident	99 Å²	99	67.2 Å²	67.2	53%	0.529	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	108.9	171.6	-175.6	14.5	0	0	0	109.8	R98 M259	R98-N257 HydrophobicContact CB-CB 4.47Å; N257-M259 PolarHBondContact OD1-N 2.7Å; N257-M259 VanDerWaalsContact OD1-N 3.16Å
258	L	86.3	Confident	89.7	Confident	63 Å²	63	62.8 Å²	62.8	33%	0.33	31%	0.311	S	S	.	.			trans	-105.9	10.1	-179.8	-60.3	174.4	0	0	0	112.6	P80 I81 R98 I256	P80-L258 HydrophobicContact CB-CD1 4.1Å; I81-L258 VanDerWaalsContact CA-CD1 3.4Å; I81-L258 HydrophobicContact CB-CD1 3.76Å; I81-L258 HydrophobicContact CD1-CD1 3.89Å; I81-L258 HydrophobicContact CG1-CD1 4.42Å; R98-L258 PolarHBondContact O-N 2.71Å; I256-L258 HydrophobicContact CG2-CD1 4.08Å; I256-L258 HydrophobicContact CG2-CD2 4.33Å; I256-L258 HydrophobicContact CG2-CG 3.83Å
259	M	82.2	Confident	90	Very high	14 Å²	14	57.7 Å²	57.7	7%	0.069	29%	0.289	C	S	.	.			trans	-108.9	105.4	-173.1	-60.4	-177.3	69.3	0	0	110.4	R98 A99 K100 N257 L262	R98-M259 HydrophobicContact CG-CG 4.18Å; R98-M259 HydrophobicContact CG-SD 3.53Å; R98-M259 VanDerWaalsContact CG-SD 3.53Å; A99-M259 VanDerWaalsContact CA-SD 3.57Å; K100-M259 HydrophobicContact CB-CE 4.23Å; K100-M259 HydrophobicContact CG-CE 3.5Å; K100-M259 VanDerWaalsContact CG-CE 3.5Å; K100-M259 HydrophobicContact CG-CG 3.97Å; K100-M259 HydrophobicContact CG-SD 4.14Å; K100-M259 PolarHBondContact N-SD 3.2Å; K100-M259 VanDerWaalsContact N-SD 3.39Å; N257-M259 PolarHBondContact OD1-N 2.7Å; N257-M259 VanDerWaalsContact OD1-N 3.16Å; M259-L262 HydrophobicContact CE-CB 4.26Å; M259-L262 HydrophobicContact CE-CD2 3.69Å; M259-L262 WeakPolarHBondContact CE-O 3.04Å
260	E	79.8	Confident	90.2	Very high	165 Å²	165	57 Å²	57	77%	0.771	29%	0.286	S	S	*	.	S	Bend	trans	-80.7	-50.2	160.5	-70.2	170.3	160.5	0	0	109.2	R51	R51-E260 IonicContact NH1-OE2 2.71Å
261	E	81.3	Confident	90.5	Very high	102 Å²	102	59.3 Å²	59.3	48%	0.477	30%	0.295	S	S	.	.	S	Bend	trans	-100.8	153.4	171.3	-62.9	176.5	175.2	0	0	111	K100 L265	K100-E261 WeakPolarHBondContact CE-O 3.42Å; E261-L265 WeakPolarHBondContact OE2-CD2 3.44Å
262	L	83.9	Confident	91.2	Very high	31 Å²	31	51.7 Å²	51.7	16%	0.162	26%	0.263	C	S	.	.	S	Bend	trans	-84.4	-35.6	179.1	-60.5	-176.9	0	0	0	113.1	M259 L377 L411	M259-L262 HydrophobicContact CE-CB 4.26Å; M259-L262 HydrophobicContact CE-CD2 3.69Å; M259-L262 WeakPolarHBondContact CE-O 3.04Å; L262-L377 HydrophobicContact CB-CD1 4.37Å; L262-L377 HydrophobicContact CB-CD2 4.34Å; L262-L377 VanDerWaalsContact O-CD1 3.27Å; L262-L377 WeakPolarHBondContact O-CD1 3.41Å; L262-L411 HydrophobicContact CB-CD2 4.17Å; L262-L411 HydrophobicContact CD1-CD2 3.59Å
263	T	85.5	Confident	91.5	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.055	25%	0.252	C	S	.	.	S	Bend	trans	-81.9	153.5	-177.8	53.2	0	0	0	0	112.2	K100 L377 I380 T413	K100-T263 WeakPolarHBondContact CD-O 3.37Å; K100-T263 WeakPolarHBondContact CE-O 3.47Å; K100-T263 PolarHBondContact NZ-O 3.13Å; T263-L377 HydrophobicContact CG2-CD1 4.14Å; T263-I380 HydrophobicContact CG2-CD1 3.86Å; T263-T413 HydrophobicContact CG2-CG2 4.48Å
264	L	84.8	Confident	91.6	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.058	25%	0.25	C	S	.	.			trans	-67.1	135.3	172	-74.5	168.6	0	0	0	110.4	D48 K100 N101 T103 G266 V267	D48-L264 HydrophobicContact CB-CD2 4.43Å; D48-L264 WeakPolarHBondContact OD2-CA 3.14Å; K100-L264 HydrophobicContact CB-CD2 3.88Å; K100-L264 HydrophobicContact CB-CG 4.46Å; K100-L264 HydrophobicContact CD-CD2 4.08Å; N101-L264 WeakPolarHBondContact O-CD1 3.48Å; N101-L264 WeakPolarHBondContact O-CD2 3.47Å; T103-L264 HydrophobicContact CG2-CD2 4.1Å; L264-G266 PolarHBondContact O-N 3.26Å; L264-V267 HydrophobicContact CB-CB 4.29Å; L264-V267 HydrophobicContact CB-CG2 3.81Å; L264-V267 HydrophobicContact CD1-CG2 3.96Å; L264-V267 PolarHBondContact O-N 3.43Å; L264-V267 VanDerWaalsContact O-N 3.16Å
265	L	89.4	Confident	91.6	Very high	85 Å²	85	53.8 Å²	53.8	45%	0.445	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.8	174.6	-67.7	174.3	0	0	0	111.4	T46 A47 D48 E261 V267	T46-L265 HydrophobicContact CG2-CB 4.26Å; A47-L265 HydrophobicContact CB-CD1 4.02Å; D48-L265 PolarHBondContact OD2-N 2.86Å; E261-L265 WeakPolarHBondContact OE2-CD2 3.44Å; L265-V267 VanDerWaalsContact C-N 3.28Å; L265-V267 PolarHBondContact O-N 2.97Å
266	G	92.5	Very high	91.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.8	178.9	0	0	0	0	0	115.1	L264 L389 G390	L264-G266 PolarHBondContact O-N 3.26Å; G266-L389 CarbonylContact O-C 3.59Å; G266-L389 VanDerWaalsContact O-CA 3.22Å; G266-L389 WeakPolarHBondContact O-CA 3.37Å; G266-G390 PolarHBondContact O-N 3.46Å
267	V	94.6	Very high	91.8	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.8	-176.7	-178.9	0	0	0	0	110.7	L264 L265 Q269 I380 S383 G390 A392	L264-V267 HydrophobicContact CB-CB 4.29Å; L264-V267 HydrophobicContact CB-CG2 3.81Å; L264-V267 HydrophobicContact CD1-CG2 3.96Å; L264-V267 PolarHBondContact O-N 3.43Å; L264-V267 VanDerWaalsContact O-N 3.16Å; L265-V267 VanDerWaalsContact C-N 3.28Å; L265-V267 PolarHBondContact O-N 2.97Å; V267-Q269 HydrophobicContact CG1-CG 4.34Å; V267-I380 HydrophobicContact CG1-CB 4.36Å; V267-S383 VanDerWaalsContact CG2-O 3.27Å; V267-S383 WeakPolarHBondContact CG2-O 3.33Å; V267-G390 CarbonylContact C-O 3.58Å; V267-G390 WeakPolarHBondContact CA-O 3.15Å; V267-A392 HydrophobicContact CG1-CB 3.87Å
268	T	96.6	Very high	92	Very high	37 Å²	37	59.3 Å²	59.3	23%	0.227	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.5	171.2	-48.1	0	0	0	0	110.4	Y270 G390 I391 A392 L426	T268-Y270 HydrophobicContact CG2-CD2 4.47Å; T268-Y270 HydrophobicContact CG2-CE1 4.08Å; T268-Y270 HydrophobicContact CG2-CE2 3.74Å; T268-Y270 WeakPolarHBondContact CG2-OH 3.17Å; T268-G390 PolarHBondContact N-O 2.72Å; T268-I391 CarbonylContact O-C 3.47Å; T268-I391 WeakPolarHBondContact O-CA 3.36Å; T268-A392 PolarHBondContact O-N 3.03Å; T268-L426 HydrophobicContact CG2-CD1 4.29Å
269	Q	97.8	Very high	92.6	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.5	-170.2	-60.3	170.5	72	0	0	110.2	V267 Y376 I380 T413 I415 H416	V267-Q269 HydrophobicContact CG1-CG 4.34Å; Q269-Y376 VanDerWaalsContact OE1-CZ 3.28Å; Q269-Y376 PolarHBondContact OE1-OH 3.01Å; Q269-I380 HydrophobicContact CG-CD1 4.17Å; Q269-T413 PolarHBondContact NE2-OG1 3.18Å; Q269-T413 VanDerWaalsContact NE2-OG1 3.17Å; Q269-I415 HydrophobicContact CB-CG1 4.33Å; Q269-I415 HydrophobicContact CB-CG2 4.27Å; Q269-H416 PolarHBondContact O-N 2.67Å
270	Y	98.2	Very high	93.3	Very high	26 Å²	26	58.3 Å²	58.3	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.1	176.9	-63	-60.8	0	0	0	112.1	T268 I391 A392 I393 N394 H416 I418 P419 V422 L426	T268-Y270 HydrophobicContact CG2-CD2 4.47Å; T268-Y270 HydrophobicContact CG2-CE1 4.08Å; T268-Y270 HydrophobicContact CG2-CE2 3.74Å; T268-Y270 WeakPolarHBondContact CG2-OH 3.17Å; Y270-I391 HydrophobicContact CE2-CG2 4.26Å; Y270-A392 PolarHBondContact N-O 3.43Å; Y270-I393 CarbonylContact O-C 3.6Å; Y270-I393 WeakPolarHBondContact O-CA 3.26Å; Y270-N394 WeakPolarHBondContact O-CB 3.4Å; Y270-N394 PolarHBondContact O-N 3.26Å; Y270-N394 PolarHBondContact O-ND2 3.28Å; Y270-H416 CarbonylContact C-O 3.46Å; Y270-H416 WeakPolarHBondContact CA-O 3.45Å; Y270-H416 HydrophobicContact CD1-CB 4.2Å; Y270-H416 HydrophobicContact CE1-CB 4.42Å; Y270-I418 HydrophobicContact CD2-CG1 4.5Å; Y270-I418 HydrophobicContact CG-CB 4.38Å; Y270-I418 HydrophobicContact CG-CG1 4.26Å; Y270-P419 HydrophobicContact CE1-CG 4.25Å; Y270-V422 HydrophobicContact CE2-CG1 3.86Å; Y270-V422 HydrophobicContact CE2-CG2 4.27Å; Y270-L426 WeakPolarHBondContact OH-CD1 3.46Å
271	Y	97.9	Very high	94.2	Very high	64 Å²	64	56.6 Å²	56.6	25%	0.251	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145	163.4	76.9	-94	0	0	0	112.3	N394 I415 H416 P417 I418	Y271-N394 CarbonylContact C-O 3.48Å; Y271-N394 WeakPolarHBondContact CA-O 3.17Å; Y271-I415 HydrophobicContact CD1-CG2 4.1Å; Y271-I415 WeakPolarHBondContact CD1-O 3.47Å; Y271-I415 VanDerWaalsContact CE1-O 3.26Å; Y271-I415 WeakPolarHBondContact CE1-O 3.33Å; Y271-H416 WeakPolarHBondContact CD1-O 3.42Å; Y271-H416 PolarHBondContact N-O 2.91Å; Y271-P417 HydrophobicContact CE1-CB 4.21Å; Y271-P417 HydrophobicContact CE1-CG 3.86Å; Y271-I418 PolarHBondContact O-N 3.46Å
272	A	97.9	Very high	94.9	Very high	8 Å²	8	52.7 Å²	52.7	7%	0.066	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.6	168.3	0	0	0	0	0	107.9	V274 N394 V396 I418	A272-V274 HydrophobicContact CB-CG1 4.28Å; A272-V274 PolarHBondContact O-N 2.77Å; A272-N394 PolarHBondContact N-O 2.85Å; A272-V396 PolarHBondContact O-N 3.44Å; A272-I418 HydrophobicContact CB-CG2 3.94Å
273	Y	97.1	Very high	95.6	Very high	131 Å²	131	51.2 Å²	51.2	51%	0.514	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116	174.7	-170.2	-97.4	0	0	0	109.8	V396 Y398	Y273-V396 CarbonylContact C-O 3.59Å; Y273-V396 WeakPolarHBondContact CA-O 3.39Å; Y273-V396 HydrophobicContact CD2-CG1 4.36Å; Y273-Y398 VanDerWaalsContact OH-CA 3.3Å; Y273-Y398 WeakPolarHBondContact OH-CA 3.4Å; Y273-Y398 VanDerWaalsContact OH-CB 3.24Å; Y273-Y398 WeakPolarHBondContact OH-CB 3.47Å; Y273-Y398 WeakPolarHBondContact OH-CD2 3.39Å
274	V	97.7	Very high	96.2	Very high	17 Å²	17	51.8 Å²	51.8	10%	0.103	25%	0.246	C	C	.	.			trans	-142.9	145.6	-171.2	-66.1	0	0	0	0	111.7	A272 K279 C282 M395 V396 T397	A272-V274 HydrophobicContact CB-CG1 4.28Å; A272-V274 PolarHBondContact O-N 2.77Å; V274-K279 HydrophobicContact CG2-CG 3.72Å; V274-C282 HydrophobicContact CG1-CB 3.96Å; V274-M395 HydrophobicContact CG2-CB 3.89Å; V274-M395 HydrophobicContact CG2-CG 4.3Å; V274-V396 PolarHBondContact N-O 3.41Å; V274-T397 WeakPolarHBondContact O-CA 3.46Å; V274-T397 WeakPolarHBondContact O-CG2 3.49Å
275	Q	97.6	Very high	96.8	Very high	107 Å²	107	53.6 Å²	53.6	50%	0.5	26%	0.257	S	S	.	.			trans	-74.2	149.9	167.5	-61.9	-179.2	12.8	0	0	109.9	K277 Q278 K279	Q275-K277 VanDerWaalsContact C-N 3.27Å; Q275-K277 HydrophobicContact CB-CG 4.35Å; Q275-K277 PolarHBondContact O-N 3.29Å; Q275-Q278 HydrophobicContact CB-CG 4.48Å; Q275-Q278 WeakPolarHBondContact O-CA 3.4Å; Q275-Q278 WeakPolarHBondContact O-CB 3.33Å; Q275-Q278 PolarHBondContact O-N 2.99Å; Q275-K279 PolarHBondContact O-N 3.31Å
276	E	97	Very high	97.1	Very high	90 Å²	90	50.1 Å²	50.1	42%	0.421	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-51.9	-44.8	-178.3	-175.6	61.1	-156	0	0	112.4	Q278 K279 R304	E276-Q278 PolarHBondContact O-N 3.4Å; E276-Q278 VanDerWaalsContact O-N 3.14Å; E276-K279 PolarHBondContact O-N 3.12Å; E276-K279 WeakPolarHBondContact OE2-CD 3.42Å; E276-K279 VanDerWaalsContact OE2-CE 3.22Å; E276-K279 WeakPolarHBondContact OE2-CE 3.22Å; E276-K279 IonicContact OE2-NZ 3.03Å; E276-K279 PolarHBondContact OE2-NZ 3.09Å; E276-R304 IonicContact OE1-CZ 3.75Å; E276-R304 IonicContact OE1-NH1 2.7Å; E276-R304 PolarHBondContact OE1-NH1 3.44Å; E276-R304 IonicContact OE1-NH2 3.11Å; E276-R304 PolarHBondContact OE1-NH2 3.41Å; E276-R304 IonicContact OE2-NH2 3.26Å
277	K	96.6	Very high	97.3	Very high	172 Å²	172	50.6 Å²	50.6	75%	0.748	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-64	-16.9	177.9	67.3	180	175	-178.6	0	114.6	Q275	Q275-K277 VanDerWaalsContact C-N 3.27Å; Q275-K277 HydrophobicContact CB-CG 4.35Å; Q275-K277 PolarHBondContact O-N 3.29Å
278	Q	97.5	Very high	97.3	Very high	93 Å²	93	59.1 Å²	59.1	44%	0.435	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-101.4	-7.8	-178.8	-66.1	177.8	-47	0	0	113.2	Q275 E276 V280 H281 C282	Q275-Q278 HydrophobicContact CB-CG 4.48Å; Q275-Q278 WeakPolarHBondContact O-CA 3.4Å; Q275-Q278 WeakPolarHBondContact O-CB 3.33Å; Q275-Q278 PolarHBondContact O-N 2.99Å; E276-Q278 PolarHBondContact O-N 3.4Å; E276-Q278 VanDerWaalsContact O-N 3.14Å; Q278-V280 VanDerWaalsContact C-N 3.34Å; Q278-V280 PolarHBondContact O-N 3.39Å; Q278-H281 WeakPolarHBondContact O-CB 3.43Å; Q278-H281 PolarHBondContact O-N 2.82Å; Q278-C282 PolarHBondContact O-N 3.17Å
279	K	98.3	Very high	97.3	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.022	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-43.9	-176.1	-77.2	-176	168.2	170.1	0	113.4	V274 Q275 E276 H281 C282 L283 F367 D368 M395	V274-K279 HydrophobicContact CG2-CG 3.72Å; Q275-K279 PolarHBondContact O-N 3.31Å; E276-K279 PolarHBondContact O-N 3.12Å; E276-K279 WeakPolarHBondContact OE2-CD 3.42Å; E276-K279 VanDerWaalsContact OE2-CE 3.22Å; E276-K279 WeakPolarHBondContact OE2-CE 3.22Å; E276-K279 IonicContact OE2-NZ 3.03Å; E276-K279 PolarHBondContact OE2-NZ 3.09Å; K279-H281 VanDerWaalsContact C-N 3.33Å; K279-H281 PolarHBondContact O-N 2.87Å; K279-C282 WeakPolarHBondContact O-CB 3.36Å; K279-C282 PolarHBondContact O-N 2.98Å; K279-L283 PolarHBondContact O-N 2.89Å; K279-F367 HydrophobicContact CB-CD2 4.36Å; K279-F367 HydrophobicContact CB-CE1 4.17Å; K279-F367 HydrophobicContact CB-CE2 3.57Å; K279-F367 HydrophobicContact CB-CZ 3.45Å; K279-F367 VanDerWaalsContact CB-CZ 3.45Å; K279-F367 HydrophobicContact CD-CD1 4.35Å; K279-F367 HydrophobicContact CD-CE1 4.04Å; K279-F367 HydrophobicContact CD-CZ 4.17Å; K279-F367 WeakPolarHBondContact CD-O 3.14Å; K279-F367 VanDerWaalsContact CE-O 3.24Å; K279-F367 WeakPolarHBondContact CE-O 3.4Å; K279-F367 HydrophobicContact CG-CZ 4.45Å; K279-F367 PolarHBondContact NZ-O 3.28Å; K279-D368 IonicContact NZ-OD1 3.65Å; K279-D368 PolarHBondContact NZ-OD1 3.31Å; K279-M395 HydrophobicContact CB-SD 3.98Å; K279-M395 HydrophobicContact CG-CB 4.46Å; K279-M395 HydrophobicContact CG-SD 4.08Å
280	V	98	Very high	97.2	Very high	51 Å²	51	63.4 Å²	63.4	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-38.8	177.8	179.3	0	0	0	0	111.6	Q278 L283 N284 L308 L315 F367	Q278-V280 VanDerWaalsContact C-N 3.34Å; Q278-V280 PolarHBondContact O-N 3.39Å; V280-L283 PolarHBondContact O-N 3.3Å; V280-N284 PolarHBondContact O-N 3.37Å; V280-L308 HydrophobicContact CG2-CD1 4.39Å; V280-L315 HydrophobicContact CG1-CD1 4.14Å; V280-F367 HydrophobicContact CG2-CE2 4.36Å; V280-F367 HydrophobicContact CG2-CZ 4Å
281	H	97.4	Very high	97.1	Very high	128 Å²	128	66.9 Å²	66.9	59%	0.593	31%	0.305	S	S	*	.	H	α-helix	trans	-66.3	-40.8	175.3	178.6	78.6	0	0	0	111.9	Q278 K279 N284 T285	Q278-H281 WeakPolarHBondContact O-CB 3.43Å; Q278-H281 PolarHBondContact O-N 2.82Å; K279-H281 VanDerWaalsContact C-N 3.33Å; K279-H281 PolarHBondContact O-N 2.87Å; H281-N284 PolarHBondContact O-N 2.81Å; H281-T285 PolarHBondContact O-N 2.88Å; H281-T285 PolarHBondContact O-OG1 3.12Å
282	C	97.8	Very high	97	Very high	20 Å²	20	64.1 Å²	64.1	14%	0.135	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-47.1	172.9	-175.1	0	0	0	0	110.6	V274 Q278 K279 N284 T285 L286 M395	V274-C282 HydrophobicContact CG1-CB 3.96Å; Q278-C282 PolarHBondContact O-N 3.17Å; K279-C282 WeakPolarHBondContact O-CB 3.36Å; K279-C282 PolarHBondContact O-N 2.98Å; C282-N284 PolarHBondContact O-N 2.79Å; C282-T285 WeakPolarHBondContact O-CA 3.4Å; C282-T285 VanDerWaalsContact O-CB 3.31Å; C282-T285 WeakPolarHBondContact O-CB 3.31Å; C282-T285 PolarHBondContact O-N 3.33Å; C282-L286 WeakPolarHBondContact O-CG 3.4Å; C282-L286 PolarHBondContact O-N 2.8Å; C282-M395 HydrophobicContact CB-CE 4.06Å
283	L	98	Very high	96.8	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-47.6	177.9	-171	62.2	0	0	0	112.4	K279 V280 T285 L286 F287 I297 L308 I312 V365 F367 M395	K279-L283 PolarHBondContact O-N 2.89Å; V280-L283 PolarHBondContact O-N 3.3Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 2.9Å; L283-L286 WeakPolarHBondContact O-CB 3.44Å; L283-L286 PolarHBondContact O-N 3.08Å; L283-L286 VanDerWaalsContact O-N 3.11Å; L283-F287 HydrophobicContact CD1-CE1 3.93Å; L283-F287 HydrophobicContact CD1-CE2 4.45Å; L283-F287 HydrophobicContact CD1-CZ 3.89Å; L283-F287 HydrophobicContact CD2-CE2 4.12Å; L283-F287 HydrophobicContact CD2-CZ 4.01Å; L283-F287 HydrophobicContact CG-CD2 4.42Å; L283-F287 HydrophobicContact CG-CE1 4.21Å; L283-F287 HydrophobicContact CG-CE2 3.84Å; L283-F287 HydrophobicContact CG-CZ 3.75Å; L283-F287 WeakPolarHBondContact O-CG 3.4Å; L283-F287 PolarHBondContact O-N 3.11Å; L283-I297 HydrophobicContact CD1-CD1 4.27Å; L283-I297 HydrophobicContact CD2-CD1 4.32Å; L283-L308 HydrophobicContact CD2-CD1 3.9Å; L283-L308 HydrophobicContact CD2-CD2 4.46Å; L283-L308 HydrophobicContact CD2-CG 4.5Å; L283-I312 HydrophobicContact CD2-CD1 3.8Å; L283-I312 HydrophobicContact CD2-CG1 3.87Å; L283-V365 HydrophobicContact CD1-CG1 4.06Å; L283-V365 HydrophobicContact CD1-CG2 4.44Å; L283-F367 HydrophobicContact CB-CE2 4.49Å; L283-F367 HydrophobicContact CD2-CD2 4.23Å; L283-F367 HydrophobicContact CD2-CE2 4.33Å; L283-M395 HydrophobicContact CB-CE 3.85Å; L283-M395 HydrophobicContact CD1-CE 4.05Å
284	N	97.5	Very high	96.8	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.118	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-38.5	175.5	-174.8	32.7	0	0	0	111.8	V280 H281 C282 F287 R288 L315 Y317	V280-N284 PolarHBondContact O-N 3.37Å; H281-N284 PolarHBondContact O-N 2.81Å; C282-N284 PolarHBondContact O-N 2.79Å; N284-F287 PolarHBondContact O-N 3.45Å; N284-R288 WeakPolarHBondContact O-CG 3.48Å; N284-R288 PolarHBondContact O-N 3.04Å; N284-R288 VanDerWaalsContact O-N 3.15Å; N284-R288 PolarHBondContact OD1-NE 3.2Å; N284-L315 HydrophobicContact CB-CD1 4.03Å; N284-Y317 PolarHBondContact OD1-OH 3.42Å
285	T	96.7	Very high	96.8	Very high	48 Å²	48	61.6 Å²	61.6	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-41.7	175	-56.7	0	0	0	0	111.5	H281 C282 L283 R288 K289	H281-T285 PolarHBondContact O-N 2.88Å; H281-T285 PolarHBondContact O-OG1 3.12Å; C282-T285 WeakPolarHBondContact O-CA 3.4Å; C282-T285 VanDerWaalsContact O-CB 3.31Å; C282-T285 WeakPolarHBondContact O-CB 3.31Å; C282-T285 PolarHBondContact O-N 3.33Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 2.9Å; T285-R288 PolarHBondContact O-N 3.31Å; T285-K289 HydrophobicContact CG2-CD 4.13Å; T285-K289 HydrophobicContact CG2-CG 4.45Å; T285-K289 WeakPolarHBondContact O-CB 3.49Å; T285-K289 WeakPolarHBondContact O-CG 3.24Å; T285-K289 PolarHBondContact O-N 2.94Å
286	L	96.9	Very high	96.8	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-45.4	175.3	-63.6	177.9	0	0	0	111.3	C282 L283 R288 K289 L290 V365 I393 M395 I418	C282-L286 WeakPolarHBondContact O-CG 3.4Å; C282-L286 PolarHBondContact O-N 2.8Å; L283-L286 WeakPolarHBondContact O-CB 3.44Å; L283-L286 PolarHBondContact O-N 3.08Å; L283-L286 VanDerWaalsContact O-N 3.11Å; L286-R288 PolarHBondContact O-N 3.12Å; L286-K289 PolarHBondContact O-N 2.93Å; L286-L290 HydrophobicContact CB-CD1 4.08Å; L286-L290 HydrophobicContact CD2-CD1 4.19Å; L286-L290 WeakPolarHBondContact O-CB 3.15Å; L286-L290 WeakPolarHBondContact O-CG 3.35Å; L286-L290 PolarHBondContact O-N 3Å; L286-V365 HydrophobicContact CD1-CG1 4.49Å; L286-I393 HydrophobicContact CD1-CB 4.48Å; L286-I393 HydrophobicContact CD1-CD1 4.15Å; L286-I393 HydrophobicContact CD1-CG2 3.84Å; L286-I393 HydrophobicContact CD2-CD1 4Å; L286-M395 HydrophobicContact CD1-CE 3.78Å; L286-I418 HydrophobicContact CD2-CD1 3.69Å
287	F	96.7	Very high	96.8	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-31.6	177.2	-68	-21.3	0	0	0	113.8	L283 N284 I292 I297 I312 Y317	L283-F287 HydrophobicContact CD1-CE1 3.93Å; L283-F287 HydrophobicContact CD1-CE2 4.45Å; L283-F287 HydrophobicContact CD1-CZ 3.89Å; L283-F287 HydrophobicContact CD2-CE2 4.12Å; L283-F287 HydrophobicContact CD2-CZ 4.01Å; L283-F287 HydrophobicContact CG-CD2 4.42Å; L283-F287 HydrophobicContact CG-CE1 4.21Å; L283-F287 HydrophobicContact CG-CE2 3.84Å; L283-F287 HydrophobicContact CG-CZ 3.75Å; L283-F287 WeakPolarHBondContact O-CG 3.4Å; L283-F287 PolarHBondContact O-N 3.11Å; N284-F287 PolarHBondContact O-N 3.45Å; F287-I292 HydrophobicContact CD1-CD1 3.53Å; F287-I292 HydrophobicContact CE1-CD1 4.07Å; F287-I297 HydrophobicContact CE1-CD1 4.05Å; F287-I297 HydrophobicContact CZ-CD1 3.67Å; F287-I312 HydrophobicContact CE2-CD1 4.43Å; F287-I312 HydrophobicContact CE2-CG1 4.11Å; F287-I312 HydrophobicContact CE2-CG2 3.82Å; F287-I312 HydrophobicContact CZ-CD1 4.22Å; F287-I312 HydrophobicContact CZ-CG1 4.39Å; F287-I312 HydrophobicContact CZ-CG2 4.24Å; F287-Y317 HydrophobicContact CB-CD1 4.36Å; F287-Y317 HydrophobicContact CB-CE1 3.73Å; F287-Y317 HydrophobicContact CB-CE2 4.14Å; F287-Y317 HydrophobicContact CD2-CD1 4.18Å; F287-Y317 AromaticContact CD2-CD2 3.59Å; F287-Y317 HydrophobicContact CD2-CD2 3.59Å; F287-Y317 HydrophobicContact CD2-CE1 4.23Å; F287-Y317 AromaticContact CD2-CE2 3.65Å; F287-Y317 HydrophobicContact CD2-CE2 3.65Å; F287-Y317 AromaticContact CD2-CG 3.87Å; F287-Y317 HydrophobicContact CD2-CG 3.87Å; F287-Y317 AromaticContact CD2-CZ 3.98Å; F287-Y317 HydrophobicContact CE2-CD2 4.09Å; F287-Y317 HydrophobicContact CE2-CG 4.26Å; F287-Y317 HydrophobicContact CG-CD1 4.47Å; F287-Y317 HydrophobicContact CG-CE1 4.3Å; F287-Y317 HydrophobicContact CG-CE2 4.38Å
288	R	95.1	Very high	96.9	Very high	187 Å²	187	44.1 Å²	44.1	71%	0.706	21%	0.209	S	C	*	.	H	α-helix	trans	-79.7	-33.8	177.3	-69.8	173.9	-178.6	-146	-4.5	113.1	N284 T285 L286	N284-R288 WeakPolarHBondContact O-CG 3.48Å; N284-R288 PolarHBondContact O-N 3.04Å; N284-R288 VanDerWaalsContact O-N 3.15Å; N284-R288 PolarHBondContact OD1-NE 3.2Å; T285-R288 PolarHBondContact O-N 3.31Å; L286-R288 PolarHBondContact O-N 3.12Å
289	K	95.4	Very high	96.9	Very high	129 Å²	129	39.7 Å²	39.7	56%	0.561	19%	0.188	S	C	*	.	H	α-helix	trans	-90.6	-29.3	-174	-75.5	-169.1	166.4	-163.1	0	114.1	T285 L286 K420	T285-K289 HydrophobicContact CG2-CD 4.13Å; T285-K289 HydrophobicContact CG2-CG 4.45Å; T285-K289 WeakPolarHBondContact O-CB 3.49Å; T285-K289 WeakPolarHBondContact O-CG 3.24Å; T285-K289 PolarHBondContact O-N 2.94Å; L286-K289 PolarHBondContact O-N 2.93Å; K289-K420 PolarHBondContact NZ-O 3.43Å; K289-K420 VanDerWaalsContact NZ-O 3.08Å
290	L	96.4	Very high	96.8	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.058	20%	0.198	C	C	.	.	S	Bend	trans	-99.6	140.8	-173.5	-59.1	173.8	0	0	0	111.4	L286 I292 V363 I391 I393 V422 Y427	L286-L290 HydrophobicContact CB-CD1 4.08Å; L286-L290 HydrophobicContact CD2-CD1 4.19Å; L286-L290 WeakPolarHBondContact O-CB 3.15Å; L286-L290 WeakPolarHBondContact O-CG 3.35Å; L286-L290 PolarHBondContact O-N 3Å; L290-I292 HydrophobicContact CB-CD1 4.33Å; L290-I292 HydrophobicContact CB-CG1 3.88Å; L290-I292 PolarHBondContact O-N 2.97Å; L290-V363 HydrophobicContact CD1-CG1 4.49Å; L290-I391 HydrophobicContact CD1-CD1 4.11Å; L290-I391 HydrophobicContact CD2-CD1 4.14Å; L290-I393 HydrophobicContact CD1-CD1 3.37Å; L290-V422 HydrophobicContact CD2-CB 3.9Å; L290-V422 HydrophobicContact CD2-CG1 4.49Å; L290-V422 HydrophobicContact CD2-CG2 3.99Å; L290-Y427 WeakPolarHBondContact CA-OH 3.3Å; L290-Y427 HydrophobicContact CB-CE2 4.26Å
291	Q	95.8	Very high	96.6	Very high	99 Å²	99	41.1 Å²	41.1	46%	0.463	20%	0.198	S	C	.	.			trans	-81.9	69.5	171.9	-68.4	-178.4	-56.6	0	0	110.5	N293 N362 Y427 V428	Q291-N293 PolarHBondContact O-N 3.25Å; Q291-N362 PolarHBondContact O-ND2 2.83Å; Q291-N362 VanDerWaalsContact O-ND2 3.16Å; Q291-Y427 HydrophobicContact CB-CE2 4.25Å; Q291-Y427 PolarHBondContact N-OH 3.09Å; Q291-Y427 WeakPolarHBondContact O-CE2 3.24Å; Q291-V428 HydrophobicContact CB-CG2 3.66Å
292	I	95.1	Very high	96.5	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	18%	0.177	C	C	.	.			trans	-71.2	124.1	-179.8	-61.7	170.3	0	0	0	109.4	F287 L290 R344 V363	F287-I292 HydrophobicContact CD1-CD1 3.53Å; F287-I292 HydrophobicContact CE1-CD1 4.07Å; L290-I292 HydrophobicContact CB-CD1 4.33Å; L290-I292 HydrophobicContact CB-CG1 3.88Å; L290-I292 PolarHBondContact O-N 2.97Å; I292-R344 HydrophobicContact CG2-CG 4.3Å; I292-R344 PolarHBondContact O-NE 3.29Å; I292-R344 PolarHBondContact O-NH2 2.84Å; I292-V363 HydrophobicContact CG1-CB 4.23Å; I292-V363 HydrophobicContact CG1-CG2 3.85Å
293	N	94.4	Very high	96.5	Very high	96 Å²	96	41.8 Å²	41.8	51%	0.513	20%	0.201	S	C	.	.	S	Bend	trans	-80.5	-62.9	167	-177.7	31.9	0	0	0	109.2	Q291 R344 S360 N362	Q291-N293 PolarHBondContact O-N 3.25Å; N293-R344 WeakPolarHBondContact O-CG 3.19Å; N293-S360 WeakPolarHBondContact ND2-CB 3.47Å; N293-S360 PolarHBondContact ND2-O 2.75Å; N293-S360 VanDerWaalsContact ND2-O 3.14Å; N293-N362 PolarHBondContact N-ND2 3.03Å; N293-N362 PolarHBondContact N-OD1 2.98Å
294	Q	96.7	Very high	96.4	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.5	163.3	-66.3	-175.7	-92.8	0	0	110.3	F338 C343 R344 S360 V361 N362	Q294-F338 HydrophobicContact CB-CE2 4.17Å; Q294-F338 HydrophobicContact CB-CZ 4.09Å; Q294-F338 HydrophobicContact CG-CE2 4.46Å; Q294-F338 VanDerWaalsContact NE2-CD2 3.33Å; Q294-F338 VanDerWaalsContact NE2-CE2 3.27Å; Q294-F338 PolarHBondContact NE2-O 3.11Å; Q294-C343 PolarHBondContact NE2-O 2.65Å; Q294-R344 CarbonylContact C-O 3.56Å; Q294-R344 WeakPolarHBondContact CA-O 3.42Å; Q294-S360 PolarHBondContact N-O 3.37Å; Q294-S360 PolarHBondContact OE1-OG 3.05Å; Q294-V361 HydrophobicContact CB-CG2 4.16Å; Q294-V361 WeakPolarHBondContact O-CA 3.35Å; Q294-N362 PolarHBondContact O-N 3.37Å; Q294-N362 PolarHBondContact O-OD1 3.4Å
295	S	97.3	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.5	175.3	76.2	0	0	0	0	113.4	R344 N345 L346 V363	S295-R344 PolarHBondContact N-O 2.74Å; S295-N345 PolarHBondContact OG-OD1 2.95Å; S295-L346 PolarHBondContact O-N 2.71Å; S295-V363 WeakPolarHBondContact CA-O 3.29Å; S295-V363 WeakPolarHBondContact CB-O 3.33Å
296	I	97.4	Very high	96.5	Very high	2 Å²	2	46 Å²	46	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.8	166.6	-62.4	177.8	0	0	0	108.4	F298 F338 L346 C348 V361 V363 V364 V365 R382	I296-F298 HydrophobicContact CB-CE2 4.38Å; I296-F298 HydrophobicContact CG2-CD1 4.49Å; I296-F298 HydrophobicContact CG2-CD2 4.1Å; I296-F298 HydrophobicContact CG2-CE1 4.01Å; I296-F298 HydrophobicContact CG2-CE2 3.57Å; I296-F298 HydrophobicContact CG2-CZ 3.52Å; I296-F338 HydrophobicContact CD1-CE1 4.11Å; I296-F338 HydrophobicContact CG1-CE1 3.84Å; I296-F338 HydrophobicContact CG1-CZ 3.94Å; I296-L346 CarbonylContact C-O 3.55Å; I296-L346 WeakPolarHBondContact CA-O 3.34Å; I296-L346 HydrophobicContact CG1-CB 4.47Å; I296-C348 VanDerWaalsContact CG2-SG 3.58Å; I296-V361 HydrophobicContact CD1-CG1 4.26Å; I296-V361 HydrophobicContact CD1-CG2 3.98Å; I296-V361 HydrophobicContact CG1-CG1 4.07Å; I296-V361 HydrophobicContact CG1-CG2 3.95Å; I296-V363 PolarHBondContact N-O 2.84Å; I296-V364 WeakPolarHBondContact O-CA 3.25Å; I296-V365 PolarHBondContact O-N 3.25Å; I296-R382 HydrophobicContact CD1-CB 4.02Å; I296-R382 HydrophobicContact CD1-CG 4.08Å
297	I	98.3	Very high	96.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113.4	-174.4	-53.9	168.1	0	0	0	108.5	L283 F287 L308 I312 N345 L346 V347 C348 V365 F367	L283-I297 HydrophobicContact CD1-CD1 4.27Å; L283-I297 HydrophobicContact CD2-CD1 4.32Å; F287-I297 HydrophobicContact CE1-CD1 4.05Å; F287-I297 HydrophobicContact CZ-CD1 3.67Å; I297-L308 HydrophobicContact CG2-CD2 3.76Å; I297-I312 HydrophobicContact CD1-CD1 3.64Å; I297-N345 HydrophobicContact CD1-CB 4.29Å; I297-L346 PolarHBondContact N-O 3.06Å; I297-V347 HydrophobicContact CB-CG2 4.2Å; I297-V347 HydrophobicContact CD1-CG2 4.31Å; I297-V347 CarbonylContact O-C 3.47Å; I297-V347 VanDerWaalsContact O-CA 3.29Å; I297-V347 WeakPolarHBondContact O-CA 3.19Å; I297-C348 PolarHBondContact O-N 3.48Å; I297-V365 CarbonylContact C-O 3.58Å; I297-V365 VanDerWaalsContact CA-O 3.26Å; I297-V365 WeakPolarHBondContact CA-O 3.48Å; I297-V365 HydrophobicContact CG1-CB 4.2Å; I297-V365 HydrophobicContact CG2-CB 4.3Å; I297-F367 HydrophobicContact CG2-CB 3.81Å
298	F	98.3	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.9	-175.3	-69.2	-77.5	0	0	0	112.6	I296 C348 T353 V364 V365 F367 D368 R379 R382	I296-F298 HydrophobicContact CB-CE2 4.38Å; I296-F298 HydrophobicContact CG2-CD1 4.49Å; I296-F298 HydrophobicContact CG2-CD2 4.1Å; I296-F298 HydrophobicContact CG2-CE1 4.01Å; I296-F298 HydrophobicContact CG2-CE2 3.57Å; I296-F298 HydrophobicContact CG2-CZ 3.52Å; F298-C348 WeakPolarHBondContact CA-O 3.24Å; F298-C348 WeakPolarHBondContact CD1-SG 3.3Å; F298-C348 WeakPolarHBondContact CE1-SG 3.45Å; F298-T353 HydrophobicContact CD1-CG2 4.05Å; F298-T353 HydrophobicContact CE1-CG2 3.52Å; F298-T353 HydrophobicContact CZ-CG2 4.1Å; F298-V364 HydrophobicContact CD2-CG1 3.88Å; F298-V364 HydrophobicContact CE2-CG1 3.83Å; F298-V365 PolarHBondContact N-O 3.44Å; F298-F367 WeakPolarHBondContact O-CB 3.33Å; F298-F367 PolarHBondContact O-N 2.79Å; F298-D368 PolarHBondContact O-N 3.3Å; F298-R379 HydrophobicContact CB-CG 4.31Å; F298-R379 HydrophobicContact CD1-CG 3.89Å; F298-R379 HydrophobicContact CD2-CB 3.73Å; F298-R379 HydrophobicContact CD2-CG 3.64Å; F298-R379 HydrophobicContact CE1-CG 4.03Å; F298-R379 HydrophobicContact CE2-CB 3.67Å; F298-R379 HydrophobicContact CE2-CG 3.8Å; F298-R379 HydrophobicContact CG-CB 4.3Å; F298-R379 HydrophobicContact CG-CG 3.68Å; F298-R379 HydrophobicContact CZ-CB 4.21Å; F298-R379 HydrophobicContact CZ-CG 3.99Å; F298-R382 HydrophobicContact CE2-CG 4.09Å; F298-R382 HydrophobicContact CZ-CG 3.74Å
299	C	97.8	Very high	96.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.			trans	-120.5	153.5	169.5	-56.5	0	0	0	0	111.1	S301 R304 V305 L308 C348 S349 D368	C299-S301 VanDerWaalsContact C-N 3.32Å; C299-S301 PolarHBondContact O-N 2.97Å; C299-R304 HydrophobicContact CB-CB 4.07Å; C299-V305 HydrophobicContact CB-CG2 3.83Å; C299-L308 VanDerWaalsContact SG-CD2 3.51Å; C299-C348 PolarHBondContact N-O 3.2Å; C299-S349 WeakPolarHBondContact O-CA 3.41Å; C299-D368 WeakPolarHBondContact CA-OD2 3.45Å
300	N	95.4	Very high	96.9	Very high	43 Å²	43	41.4 Å²	41.4	23%	0.23	20%	0.203	C	C	.	.	S	Bend	trans	-81.4	-8.4	-177.4	-73.1	-12.9	0	0	0	113.7	D368 F369 R379	N300-D368 HydrophobicContact CB-CB 3.98Å; N300-D368 VanDerWaalsContact CG-CB 3.49Å; N300-D368 PolarHBondContact N-OD2 3.33Å; N300-F369 PolarHBondContact ND2-O 3.06Å; N300-R379 PolarHBondContact OD1-NH1 3.4Å; N300-R379 PolarHBondContact OD1-NH2 3.27Å
301	S	95.2	Very high	96.9	Very high	43 Å²	43	45.5 Å²	45.5	30%	0.301	22%	0.22	S	C	.	.	S	Bend	trans	-142.8	149.8	-179.6	74.5	0	0	0	0	112.9	C299 Q303 R304 V305	C299-S301 VanDerWaalsContact C-N 3.32Å; C299-S301 PolarHBondContact O-N 2.97Å; S301-Q303 VanDerWaalsContact C-N 3.34Å; S301-Q303 PolarHBondContact O-N 2.92Å; S301-R304 PolarHBondContact O-N 2.63Å; S301-R304 WeakPolarHBondContact OG-CB 3.33Å; S301-R304 WeakPolarHBondContact OG-CD 3.47Å; S301-R304 VanDerWaalsContact OG-CG 3.22Å; S301-R304 WeakPolarHBondContact OG-CG 3.14Å; S301-R304 PolarHBondContact OG-N 2.76Å; S301-V305 WeakPolarHBondContact O-CG2 3.38Å; S301-V305 PolarHBondContact O-N 3.47Å; S301-V305 VanDerWaalsContact O-N 3.09Å
302	T	95.4	Very high	97.1	Very high	25 Å²	25	40.8 Å²	40.8	15%	0.153	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-38.7	179.5	57.5	0	0	0	0	112.9	R304 V305 E306 H323 K325	T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.2Å; T302-V305 WeakPolarHBondContact O-CB 3.38Å; T302-V305 PolarHBondContact O-N 3.01Å; T302-E306 PolarHBondContact O-N 3.33Å; T302-H323 HydrophobicContact CG2-CB 3.75Å; T302-K325 HydrophobicContact CG2-CG 4.49Å
303	Q	96.5	Very high	97.2	Very high	137 Å²	137	44.4 Å²	44.4	64%	0.64	22%	0.221	S	C	*	.	H	α-helix	trans	-61.9	-42.1	176	-174.9	-177.6	6.9	0	0	111.8	S301 V305 E306 L307	S301-Q303 VanDerWaalsContact C-N 3.34Å; S301-Q303 PolarHBondContact O-N 2.92Å; Q303-V305 VanDerWaalsContact C-N 3.34Å; Q303-E306 PolarHBondContact O-N 3.04Å; Q303-L307 HydrophobicContact CG-CD1 4.09Å; Q303-L307 WeakPolarHBondContact O-CG 3.22Å; Q303-L307 PolarHBondContact O-N 3.5Å; Q303-L307 VanDerWaalsContact O-N 3.12Å
304	R	96.8	Very high	97.3	Very high	75 Å²	75	45.1 Å²	45.1	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-67.6	-35	177.8	-71.9	177.1	65.8	84.5	-6.1	112.3	E276 C299 S301 T302 L307 L308 F367 D368	E276-R304 IonicContact OE1-CZ 3.75Å; E276-R304 IonicContact OE1-NH1 2.7Å; E276-R304 PolarHBondContact OE1-NH1 3.44Å; E276-R304 IonicContact OE1-NH2 3.11Å; E276-R304 PolarHBondContact OE1-NH2 3.41Å; E276-R304 IonicContact OE2-NH2 3.26Å; C299-R304 HydrophobicContact CB-CB 4.07Å; S301-R304 PolarHBondContact O-N 2.63Å; S301-R304 WeakPolarHBondContact OG-CB 3.33Å; S301-R304 WeakPolarHBondContact OG-CD 3.47Å; S301-R304 VanDerWaalsContact OG-CG 3.22Å; S301-R304 WeakPolarHBondContact OG-CG 3.14Å; S301-R304 PolarHBondContact OG-N 2.76Å; T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.2Å; R304-L307 PolarHBondContact O-N 2.87Å; R304-L308 WeakPolarHBondContact O-CB 3.28Å; R304-L308 PolarHBondContact O-N 3Å; R304-F367 VanDerWaalsContact NH2-CE1 3.31Å; R304-D368 IonicContact CZ-OD1 3.78Å; R304-D368 IonicContact CZ-OD2 3.4Å; R304-D368 IonicContact NE-OD1 3.74Å; R304-D368 PolarHBondContact NE-OD1 2.93Å; R304-D368 IonicContact NE-OD2 2.78Å; R304-D368 PolarHBondContact NE-OD2 2.94Å; R304-D368 IonicContact NH2-OD1 2.71Å; R304-D368 PolarHBondContact NH2-OD1 3.01Å; R304-D368 IonicContact NH2-OD2 2.72Å
305	V	98.1	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-52.3	174.6	166.6	0	0	0	0	111	C299 S301 T302 Q303 L308 A309 Y321 H323 V347	C299-V305 HydrophobicContact CB-CG2 3.83Å; S301-V305 WeakPolarHBondContact O-CG2 3.38Å; S301-V305 PolarHBondContact O-N 3.47Å; S301-V305 VanDerWaalsContact O-N 3.09Å; T302-V305 WeakPolarHBondContact O-CB 3.38Å; T302-V305 PolarHBondContact O-N 3.01Å; Q303-V305 VanDerWaalsContact C-N 3.34Å; V305-L308 PolarHBondContact O-N 3.12Å; V305-A309 WeakPolarHBondContact O-CB 3.19Å; V305-A309 PolarHBondContact O-N 3.38Å; V305-Y321 HydrophobicContact CG1-CD2 4.41Å; V305-Y321 HydrophobicContact CG1-CG 4.45Å; V305-H323 HydrophobicContact CG1-CB 4.45Å; V305-V347 HydrophobicContact CB-CG1 4.18Å; V305-V347 HydrophobicContact CG1-CB 4.38Å; V305-V347 HydrophobicContact CG1-CG1 3.98Å; V305-V347 HydrophobicContact CG2-CG1 4.28Å
306	E	97.8	Very high	97.2	Very high	83 Å²	83	51.2 Å²	51.2	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-45.8	-179.2	-65.5	-179.5	-145.7	0	0	112	T302 Q303 L308 A309 K310 Y321 H323	T302-E306 PolarHBondContact O-N 3.33Å; Q303-E306 PolarHBondContact O-N 3.04Å; E306-L308 PolarHBondContact O-N 3.46Å; E306-A309 PolarHBondContact O-N 3.37Å; E306-K310 PolarHBondContact O-N 3.47Å; E306-Y321 HydrophobicContact CG-CD2 4.15Å; E306-Y321 HydrophobicContact CG-CE2 3.9Å; E306-H323 WeakPolarHBondContact CG-NE2 3.24Å; E306-H323 IonicContact OE1-CE1 3.05Å; E306-H323 PolarHBondContact OE1-CE1 3.2Å; E306-H323 IonicContact OE1-NE2 2.8Å; E306-H323 PolarHBondContact OE1-NE2 2.9Å; E306-H323 VanDerWaalsContact OE1-NE2 3.08Å
307	L	97.9	Very high	97.2	Very high	100 Å²	100	53.8 Å²	53.8	52%	0.524	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-42.5	179.1	-71.5	174.1	0	0	0	112.1	Q303 R304 K311	Q303-L307 HydrophobicContact CG-CD1 4.09Å; Q303-L307 WeakPolarHBondContact O-CG 3.22Å; Q303-L307 PolarHBondContact O-N 3.5Å; Q303-L307 VanDerWaalsContact O-N 3.12Å; R304-L307 PolarHBondContact O-N 2.87Å; L307-K311 VanDerWaalsContact O-CG 3.3Å; L307-K311 WeakPolarHBondContact O-CG 3.49Å; L307-K311 PolarHBondContact O-N 3.26Å
308	L	98.3	Very high	97	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-43.5	179.5	-179.1	60.7	0	0	0	111.2	V280 L283 I297 C299 R304 V305 E306 K310 K311 I312 V347 F367	V280-L308 HydrophobicContact CG2-CD1 4.39Å; L283-L308 HydrophobicContact CD2-CD1 3.9Å; L283-L308 HydrophobicContact CD2-CD2 4.46Å; L283-L308 HydrophobicContact CD2-CG 4.5Å; I297-L308 HydrophobicContact CG2-CD2 3.76Å; C299-L308 VanDerWaalsContact SG-CD2 3.51Å; R304-L308 WeakPolarHBondContact O-CB 3.28Å; R304-L308 PolarHBondContact O-N 3Å; V305-L308 PolarHBondContact O-N 3.12Å; E306-L308 PolarHBondContact O-N 3.46Å; L308-K310 VanDerWaalsContact C-N 3.31Å; L308-K310 PolarHBondContact O-N 2.95Å; L308-K311 CarbonylContact O-C 3.29Å; L308-K311 WeakPolarHBondContact O-CB 3.16Å; L308-K311 PolarHBondContact O-N 3.03Å; L308-K311 VanDerWaalsContact O-N 3.08Å; L308-I312 HydrophobicContact CD1-CD1 4.29Å; L308-I312 HydrophobicContact CD1-CG1 4.25Å; L308-I312 HydrophobicContact CD2-CD1 4.5Å; L308-I312 HydrophobicContact CG-CD1 3.91Å; L308-I312 HydrophobicContact CG-CG1 4.33Å; L308-I312 VanDerWaalsContact O-CG1 3.32Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 2.81Å; L308-V347 HydrophobicContact CB-CG1 4.28Å; L308-V347 HydrophobicContact CD2-CG1 4.02Å; L308-V347 HydrophobicContact CD2-CG2 4.39Å; L308-V347 HydrophobicContact CG-CG1 4.39Å; L308-V347 HydrophobicContact CG-CG2 4.34Å; L308-F367 HydrophobicContact CD1-CD2 4.19Å; L308-F367 HydrophobicContact CD1-CE1 4.34Å; L308-F367 HydrophobicContact CD1-CE2 3.72Å; L308-F367 HydrophobicContact CD1-CZ 3.81Å; L308-F367 HydrophobicContact CD2-CB 4.02Å; L308-F367 HydrophobicContact CD2-CD1 3.83Å; L308-F367 HydrophobicContact CD2-CD2 3.75Å; L308-F367 HydrophobicContact CD2-CE1 4.17Å; L308-F367 HydrophobicContact CD2-CE2 4.1Å; L308-F367 HydrophobicContact CD2-CG 3.59Å; L308-F367 HydrophobicContact CD2-CZ 4.3Å
309	A	98	Very high	96.9	Very high	3 Å²	3	57.4 Å²	57.4	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-45.1	177.2	0	0	0	0	0	111.5	V305 E306 K311 I312 T313 Y321 V347	V305-A309 WeakPolarHBondContact O-CB 3.19Å; V305-A309 PolarHBondContact O-N 3.38Å; E306-A309 PolarHBondContact O-N 3.37Å; A309-K311 VanDerWaalsContact C-N 3.32Å; A309-K311 PolarHBondContact O-N 2.86Å; A309-I312 PolarHBondContact O-N 2.93Å; A309-T313 PolarHBondContact O-N 3.17Å; A309-T313 PolarHBondContact O-OG1 3.16Å; A309-T313 VanDerWaalsContact O-OG1 3.13Å; A309-Y321 HydrophobicContact CB-CD1 3.74Å; A309-Y321 HydrophobicContact CB-CG 4.09Å; A309-V347 HydrophobicContact CB-CB 4.28Å; A309-V347 HydrophobicContact CB-CG2 4.15Å
310	K	97.7	Very high	96.9	Very high	132 Å²	132	60.9 Å²	60.9	57%	0.574	32%	0.318	S	S	*	.	H	α-helix	trans	-56.2	-45.9	172.7	-175.7	178.4	178.9	178.7	0	111.8	E306 L308 I312 T313 E314	E306-K310 PolarHBondContact O-N 3.47Å; L308-K310 VanDerWaalsContact C-N 3.31Å; L308-K310 PolarHBondContact O-N 2.95Å; K310-I312 PolarHBondContact O-N 2.69Å; K310-T313 PolarHBondContact O-N 3.14Å; K310-E314 WeakPolarHBondContact CE-OE1 3.39Å; K310-E314 WeakPolarHBondContact O-CG 3.29Å; K310-E314 PolarHBondContact O-N 3.34Å
311	K	98	Very high	96.9	Very high	97 Å²	97	63.2 Å²	63.2	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-37.9	178.2	-72.1	-73.8	161.7	-153.8	0	112.9	L307 L308 A309 E314 L315	L307-K311 VanDerWaalsContact O-CG 3.3Å; L307-K311 WeakPolarHBondContact O-CG 3.49Å; L307-K311 PolarHBondContact O-N 3.26Å; L308-K311 CarbonylContact O-C 3.29Å; L308-K311 WeakPolarHBondContact O-CB 3.16Å; L308-K311 PolarHBondContact O-N 3.03Å; L308-K311 VanDerWaalsContact O-N 3.08Å; A309-K311 VanDerWaalsContact C-N 3.32Å; A309-K311 PolarHBondContact O-N 2.86Å; K311-E314 WeakPolarHBondContact CD-OE2 3.3Å; K311-E314 WeakPolarHBondContact CE-OE2 3.44Å; K311-E314 IonicContact NZ-OE1 2.74Å; K311-E314 IonicContact NZ-OE2 3.78Å; K311-E314 PolarHBondContact NZ-OE2 2.88Å; K311-E314 PolarHBondContact O-N 3.06Å; K311-L315 VanDerWaalsContact O-CG 3.3Å; K311-L315 WeakPolarHBondContact O-CG 3.34Å; K311-L315 PolarHBondContact O-N 3.18Å; K311-L315 VanDerWaalsContact O-N 3.08Å
312	I	98.1	Very high	96.9	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-42.3	176.2	-67.8	169	0	0	0	110.6	L283 F287 I297 L308 A309 K310 L315 G316 Y317 C319 V347	L283-I312 HydrophobicContact CD2-CD1 3.8Å; L283-I312 HydrophobicContact CD2-CG1 3.87Å; F287-I312 HydrophobicContact CE2-CD1 4.43Å; F287-I312 HydrophobicContact CE2-CG1 4.11Å; F287-I312 HydrophobicContact CE2-CG2 3.82Å; F287-I312 HydrophobicContact CZ-CD1 4.22Å; F287-I312 HydrophobicContact CZ-CG1 4.39Å; F287-I312 HydrophobicContact CZ-CG2 4.24Å; I297-I312 HydrophobicContact CD1-CD1 3.64Å; L308-I312 HydrophobicContact CD1-CD1 4.29Å; L308-I312 HydrophobicContact CD1-CG1 4.25Å; L308-I312 HydrophobicContact CD2-CD1 4.5Å; L308-I312 HydrophobicContact CG-CD1 3.91Å; L308-I312 HydrophobicContact CG-CG1 4.33Å; L308-I312 VanDerWaalsContact O-CG1 3.32Å; L308-I312 WeakPolarHBondContact O-CG1 3.35Å; L308-I312 PolarHBondContact O-N 2.81Å; A309-I312 PolarHBondContact O-N 2.93Å; K310-I312 PolarHBondContact O-N 2.69Å; I312-L315 WeakPolarHBondContact O-CB 3.28Å; I312-L315 PolarHBondContact O-N 3.2Å; I312-G316 PolarHBondContact O-N 2.7Å; I312-Y317 PolarHBondContact O-N 2.89Å; I312-C319 HydrophobicContact CB-CB 4.01Å; I312-C319 HydrophobicContact CG2-CB 3.52Å; I312-V347 HydrophobicContact CD1-CG2 3.52Å
313	T	97.1	Very high	96.9	Very high	80 Å²	80	60.1 Å²	60.1	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-41.7	174.8	-54.4	0	0	0	0	111.9	A309 K310 L315 G316	A309-T313 PolarHBondContact O-N 3.17Å; A309-T313 PolarHBondContact O-OG1 3.16Å; A309-T313 VanDerWaalsContact O-OG1 3.13Å; K310-T313 PolarHBondContact O-N 3.14Å; T313-L315 PolarHBondContact O-N 2.98Å; T313-G316 PolarHBondContact O-N 3.34Å
314	E	97.4	Very high	96.5	Very high	111 Å²	111	57 Å²	57	52%	0.519	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-30	174.1	-74.5	171.3	-170.8	0	0	112.7	K310 K311 G316	K310-E314 WeakPolarHBondContact CE-OE1 3.39Å; K310-E314 WeakPolarHBondContact O-CG 3.29Å; K310-E314 PolarHBondContact O-N 3.34Å; K311-E314 WeakPolarHBondContact CD-OE2 3.3Å; K311-E314 WeakPolarHBondContact CE-OE2 3.44Å; K311-E314 IonicContact NZ-OE1 2.74Å; K311-E314 IonicContact NZ-OE2 3.78Å; K311-E314 PolarHBondContact NZ-OE2 2.88Å; K311-E314 PolarHBondContact O-N 3.06Å; E314-G316 PolarHBondContact O-N 2.81Å
315	L	96	Very high	96.3	Very high	69 Å²	69	61 Å²	61	36%	0.361	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.3	173.9	-70.6	169.7	0	0	0	113.6	V280 N284 K311 I312 T313 Y317	V280-L315 HydrophobicContact CG1-CD1 4.14Å; N284-L315 HydrophobicContact CB-CD1 4.03Å; K311-L315 VanDerWaalsContact O-CG 3.3Å; K311-L315 WeakPolarHBondContact O-CG 3.34Å; K311-L315 PolarHBondContact O-N 3.18Å; K311-L315 VanDerWaalsContact O-N 3.08Å; I312-L315 WeakPolarHBondContact O-CB 3.28Å; I312-L315 PolarHBondContact O-N 3.2Å; T313-L315 PolarHBondContact O-N 2.98Å; L315-Y317 HydrophobicContact CB-CD2 3.76Å; L315-Y317 HydrophobicContact CB-CE2 3.96Å
316	G	96	Very high	96.1	Very high	67 Å²	67	62.5 Å²	62.5	69%	0.691	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	12.8	177.8	0	0	0	0	0	115	I312 T313 E314	I312-G316 PolarHBondContact O-N 2.7Å; T313-G316 PolarHBondContact O-N 3.34Å; E314-G316 PolarHBondContact O-N 2.81Å
317	Y	96.6	Very high	95.8	Very high	57 Å²	57	61.3 Å²	61.3	22%	0.224	33%	0.328	C	S	.	.			trans	-101.5	137.2	179.1	-60.3	-81.7	0	0	0	111.5	N284 F287 I312 L315 C319	N284-Y317 PolarHBondContact OD1-OH 3.42Å; F287-Y317 HydrophobicContact CB-CD1 4.36Å; F287-Y317 HydrophobicContact CB-CE1 3.73Å; F287-Y317 HydrophobicContact CB-CE2 4.14Å; F287-Y317 HydrophobicContact CD2-CD1 4.18Å; F287-Y317 AromaticContact CD2-CD2 3.59Å; F287-Y317 HydrophobicContact CD2-CD2 3.59Å; F287-Y317 HydrophobicContact CD2-CE1 4.23Å; F287-Y317 AromaticContact CD2-CE2 3.65Å; F287-Y317 HydrophobicContact CD2-CE2 3.65Å; F287-Y317 AromaticContact CD2-CG 3.87Å; F287-Y317 HydrophobicContact CD2-CG 3.87Å; F287-Y317 AromaticContact CD2-CZ 3.98Å; F287-Y317 HydrophobicContact CE2-CD2 4.09Å; F287-Y317 HydrophobicContact CE2-CG 4.26Å; F287-Y317 HydrophobicContact CG-CD1 4.47Å; F287-Y317 HydrophobicContact CG-CE1 4.3Å; F287-Y317 HydrophobicContact CG-CE2 4.38Å; I312-Y317 PolarHBondContact O-N 2.89Å; L315-Y317 HydrophobicContact CB-CD2 3.76Å; L315-Y317 HydrophobicContact CB-CE2 3.96Å; Y317-C319 PolarHBondContact O-N 3.07Å
318	S	94	Very high	95.4	Very high	61 Å²	61	57.1 Å²	57.1	43%	0.427	31%	0.306	S	S	.	.			trans	-60.5	125.4	170.7	175.6	0	0	0	0	109.9	C343 N345	S318-C343 PolarHBondContact OG-SG 3.28Å; S318-N345 WeakPolarHBondContact O-CB 3.26Å; S318-N345 PolarHBondContact O-N 3.03Å; S318-N345 PolarHBondContact O-ND2 3.35Å
319	C	97.4	Very high	95	Very high	15 Å²	15	60.3 Å²	60.3	10%	0.101	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	131.1	-176.3	-171.6	0	0	0	0	112.1	I312 Y317 C343 N345 V347	I312-C319 HydrophobicContact CB-CB 4.01Å; I312-C319 HydrophobicContact CG2-CB 3.52Å; Y317-C319 PolarHBondContact O-N 3.07Å; C319-C343 VanDerWaalsContact C-SG 3.54Å; C319-C343 WeakPolarHBondContact CA-SG 3.39Å; C319-N345 CarbonylContact C-O 3.51Å; C319-N345 VanDerWaalsContact CA-O 3.28Å; C319-N345 WeakPolarHBondContact CA-O 3.47Å; C319-N345 HydrophobicContact CB-CB 4.39Å; C319-V347 VanDerWaalsContact SG-CG2 3.58Å
320	Y	96.6	Very high	94.8	Very high	73 Å²	73	65.9 Å²	65.9	29%	0.286	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	164.8	165.3	-67.4	-21.5	0	0	0	110.4	V334 D337 C343 N345 L346 V347	Y320-V334 HydrophobicContact CD2-CG1 4.15Å; Y320-V334 HydrophobicContact CG-CG1 4.29Å; Y320-D337 HydrophobicContact CD2-CB 4.49Å; Y320-D337 HydrophobicContact CE2-CB 3.64Å; Y320-C343 HydrophobicContact CD1-CB 4.3Å; Y320-C343 HydrophobicContact CD2-CB 3.36Å; Y320-C343 HydrophobicContact CE1-CB 4.33Å; Y320-C343 HydrophobicContact CE2-CB 3.4Å; Y320-C343 VanDerWaalsContact CE2-CB 3.4Å; Y320-C343 HydrophobicContact CG-CB 3.84Å; Y320-C343 PolarHBondContact N-SG 2.8Å; Y320-N345 PolarHBondContact N-O 3.18Å; Y320-L346 WeakPolarHBondContact O-CA 3.24Å; Y320-V347 PolarHBondContact O-N 3.26Å
321	Y	96.9	Very high	94.6	Very high	92 Å²	92	60.1 Å²	60.1	36%	0.361	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.8	172.2	66.6	-95.8	0	0	0	112.5	V305 E306 A309 H323 M326 V347	V305-Y321 HydrophobicContact CG1-CD2 4.41Å; V305-Y321 HydrophobicContact CG1-CG 4.45Å; E306-Y321 HydrophobicContact CG-CD2 4.15Å; E306-Y321 HydrophobicContact CG-CE2 3.9Å; A309-Y321 HydrophobicContact CB-CD1 3.74Å; A309-Y321 HydrophobicContact CB-CG 4.09Å; Y321-H323 AromaticContact CD2-CD2 3.64Å; Y321-H323 AromaticContact CD2-NE2 3.6Å; Y321-H323 AromaticContact CE2-NE2 3.49Å; Y321-H323 WeakPolarHBondContact CE2-NE2 3.26Å; Y321-M326 HydrophobicContact CD2-CE 4.36Å; Y321-M326 HydrophobicContact CD2-SD 3.74Å; Y321-M326 HydrophobicContact CE2-CE 4.14Å; Y321-M326 HydrophobicContact CE2-CG 4.33Å; Y321-M326 HydrophobicContact CE2-SD 3.75Å; Y321-V347 CarbonylContact C-O 3.59Å; Y321-V347 WeakPolarHBondContact CA-O 3.41Å
322	I	94.9	Very high	94.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	126.5	178.9	-177	154.5	0	0	0	112.2	M326 R331 V334 L346 V347 C348 S349 L351 L352	I322-M326 VanDerWaalsContact CA-SD 3.58Å; I322-M326 HydrophobicContact CB-SD 4.5Å; I322-R331 HydrophobicContact CD1-CB 3.79Å; I322-R331 HydrophobicContact CD1-CG 3.98Å; I322-R331 HydrophobicContact CG1-CB 4.41Å; I322-R331 HydrophobicContact CG1-CG 4.04Å; I322-V334 HydrophobicContact CB-CG1 4.33Å; I322-L346 HydrophobicContact CB-CD1 4.33Å; I322-L346 HydrophobicContact CG2-CD1 3.64Å; I322-L346 HydrophobicContact CG2-CD2 3.95Å; I322-L346 HydrophobicContact CG2-CG 3.91Å; I322-V347 PolarHBondContact N-O 2.78Å; I322-C348 HydrophobicContact CG2-CB 3.46Å; I322-C348 VanDerWaalsContact CG2-CB 3.46Å; I322-C348 VanDerWaalsContact O-CA 3.23Å; I322-C348 WeakPolarHBondContact O-CA 3.22Å; I322-C348 VanDerWaalsContact O-CB 3.28Å; I322-C348 WeakPolarHBondContact O-CB 3.36Å; I322-S349 PolarHBondContact O-N 2.78Å; I322-L351 HydrophobicContact CG1-CD2 3.96Å; I322-L352 HydrophobicContact CB-CD1 4.41Å; I322-L352 HydrophobicContact CD1-CD1 4.12Å; I322-L352 HydrophobicContact CD1-CD2 4.24Å; I322-L352 HydrophobicContact CD1-CG 4.43Å; I322-L352 HydrophobicContact CG1-CD1 4.37Å; I322-L352 HydrophobicContact CG1-CG 4.47Å; I322-L352 HydrophobicContact CG2-CD1 3.3Å; I322-L352 HydrophobicContact CG2-CG 3.88Å
323	H	94.1	Very high	94	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.009	36%	0.356	C	S	.	.			trans	-152.9	170.5	176.3	57.4	90.3	0	0	0	111.6	T302 V305 E306 Y321 K325 M326	T302-H323 HydrophobicContact CG2-CB 3.75Å; V305-H323 HydrophobicContact CG1-CB 4.45Å; E306-H323 WeakPolarHBondContact CG-NE2 3.24Å; E306-H323 IonicContact OE1-CE1 3.05Å; E306-H323 PolarHBondContact OE1-CE1 3.2Å; E306-H323 IonicContact OE1-NE2 2.8Å; E306-H323 PolarHBondContact OE1-NE2 2.9Å; E306-H323 VanDerWaalsContact OE1-NE2 3.08Å; Y321-H323 AromaticContact CD2-CD2 3.64Å; Y321-H323 AromaticContact CD2-NE2 3.6Å; Y321-H323 AromaticContact CE2-NE2 3.49Å; Y321-H323 WeakPolarHBondContact CE2-NE2 3.26Å; H323-K325 VanDerWaalsContact C-N 3.28Å; H323-K325 PolarHBondContact ND1-N 2.75Å; H323-K325 PolarHBondContact O-N 2.82Å; H323-M326 PolarHBondContact O-N 3.03Å
324	S	89.4	Confident	93.9	Very high	71 Å²	71	63.3 Å²	63.3	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22	-171.2	55.2	0	0	0	0	115.5	M326	S324-M326 VanDerWaalsContact C-N 3.32Å
325	K	91.7	Very high	93.6	Very high	159 Å²	159	58.4 Å²	58.4	69%	0.691	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.4	179.8	-62.6	-178.5	175.2	179.6	0	114	T302 H323	T302-K325 HydrophobicContact CG2-CG 4.49Å; H323-K325 VanDerWaalsContact C-N 3.28Å; H323-K325 PolarHBondContact ND1-N 2.75Å; H323-K325 PolarHBondContact O-N 2.82Å
326	M	93.2	Very high	93.4	Very high	32 Å²	32	60.1 Å²	60.1	16%	0.158	32%	0.322	C	S	.	.	S	Bend	trans	-77.3	147.9	176.9	-65.9	170.9	69.5	0	0	111.3	Y321 I322 H323 S324 H330 R331 V334	Y321-M326 HydrophobicContact CD2-CE 4.36Å; Y321-M326 HydrophobicContact CD2-SD 3.74Å; Y321-M326 HydrophobicContact CE2-CE 4.14Å; Y321-M326 HydrophobicContact CE2-CG 4.33Å; Y321-M326 HydrophobicContact CE2-SD 3.75Å; I322-M326 VanDerWaalsContact CA-SD 3.58Å; I322-M326 HydrophobicContact CB-SD 4.5Å; H323-M326 PolarHBondContact O-N 3.03Å; S324-M326 VanDerWaalsContact C-N 3.32Å; M326-H330 HydrophobicContact CE-CB 4.22Å; M326-R331 HydrophobicContact CB-CG 3.74Å; M326-R331 HydrophobicContact SD-CG 4.5Å; M326-V334 HydrophobicContact CE-CG2 4.27Å
327	A	91.9	Very high	93.3	Very high	58 Å²	58	58.1 Å²	58.1	48%	0.479	30%	0.295	S	S	.	.			trans	-57.2	141.5	168.6	0	0	0	0	0	110.9	A329 H330 R331	A327-A329 VanDerWaalsContact C-N 3.32Å; A327-A329 PolarHBondContact O-N 2.84Å; A327-H330 PolarHBondContact O-N 2.58Å; A327-H330 VanDerWaalsContact O-N 3.1Å; A327-R331 PolarHBondContact O-N 3.18Å; A327-R331 VanDerWaalsContact O-N 3.1Å
328	Q	90	Very high	93.2	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-38.4	-173.6	-170.6	57.8	38.1	0	0	112.7	H330 R331 N332	Q328-H330 VanDerWaalsContact C-N 3.27Å; Q328-H330 PolarHBondContact O-N 3.23Å; Q328-R331 WeakPolarHBondContact O-CB 3.44Å; Q328-R331 PolarHBondContact O-N 3.28Å; Q328-R331 VanDerWaalsContact O-N 3.16Å; Q328-N332 PolarHBondContact NE2-OD1 2.87Å; Q328-N332 VanDerWaalsContact O-CG 3.32Å; Q328-N332 PolarHBondContact O-N 3.47Å; Q328-N332 PolarHBondContact O-OD1 2.66Å
329	A	91	Very high	93.1	Very high	73 Å²	73	56.4 Å²	56.4	60%	0.603	28%	0.279	S	S	*	.	H	α-helix	trans	-58.4	-40	176.3	0	0	0	0	0	112	A327 N332 R333	A327-A329 VanDerWaalsContact C-N 3.32Å; A327-A329 PolarHBondContact O-N 2.84Å; A329-N332 PolarHBondContact O-N 3.38Å; A329-R333 PolarHBondContact O-N 2.9Å
330	H	93.4	Very high	92.8	Very high	120 Å²	120	60.8 Å²	60.8	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-69.3	-40.1	176.7	-65.4	-176.3	0	0	0	111.7	M326 A327 Q328 R333 V334	M326-H330 HydrophobicContact CE-CB 4.22Å; A327-H330 PolarHBondContact O-N 2.58Å; A327-H330 VanDerWaalsContact O-N 3.1Å; Q328-H330 VanDerWaalsContact C-N 3.27Å; Q328-H330 PolarHBondContact O-N 3.23Å; H330-R333 PolarHBondContact O-N 3.28Å; H330-V334 WeakPolarHBondContact O-CG2 3.46Å; H330-V334 PolarHBondContact O-N 3.17Å
331	R	92.5	Very high	92.6	Very high	12 Å²	12	59.3 Å²	59.3	5%	0.045	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174.5	-70.5	173.6	52.6	178.2	-4.4	111.7	E134 I322 M326 A327 Q328 R333 V334 F335 L351	E134-R331 IonicContact OE1-CZ 3.47Å; E134-R331 IonicContact OE1-NE 3.7Å; E134-R331 PolarHBondContact OE1-NE 2.82Å; E134-R331 IonicContact OE1-NH2 2.78Å; E134-R331 PolarHBondContact OE1-NH2 2.8Å; E134-R331 IonicContact OE2-CZ 2.67Å; E134-R331 IonicContact OE2-NH2 3.24Å; E134-R331 PolarHBondContact OE2-NH2 3.4Å; I322-R331 HydrophobicContact CD1-CB 3.79Å; I322-R331 HydrophobicContact CD1-CG 3.98Å; I322-R331 HydrophobicContact CG1-CB 4.41Å; I322-R331 HydrophobicContact CG1-CG 4.04Å; M326-R331 HydrophobicContact CB-CG 3.74Å; M326-R331 HydrophobicContact SD-CG 4.5Å; A327-R331 PolarHBondContact O-N 3.18Å; A327-R331 VanDerWaalsContact O-N 3.1Å; Q328-R331 WeakPolarHBondContact O-CB 3.44Å; Q328-R331 PolarHBondContact O-N 3.28Å; Q328-R331 VanDerWaalsContact O-N 3.16Å; R331-R333 VanDerWaalsContact C-N 3.31Å; R331-R333 PolarHBondContact O-N 2.78Å; R331-V334 PolarHBondContact O-N 3.16Å; R331-F335 WeakPolarHBondContact O-CB 3.27Å; R331-F335 PolarHBondContact O-N 3.3Å; R331-L351 VanDerWaalsContact NH2-CD2 3.32Å
332	N	90.8	Very high	92.4	Very high	46 Å²	46	61.3 Å²	61.3	25%	0.246	32%	0.316	C	S	.	.	H	α-helix	trans	-59.6	-43.9	177.9	-70.6	-2.2	0	0	0	111.1	Q328 A329 F335 H336	Q328-N332 PolarHBondContact NE2-OD1 2.87Å; Q328-N332 VanDerWaalsContact O-CG 3.32Å; Q328-N332 PolarHBondContact O-N 3.47Å; Q328-N332 PolarHBondContact O-OD1 2.66Å; A329-N332 PolarHBondContact O-N 3.38Å; N332-F335 PolarHBondContact O-N 2.72Å; N332-H336 VanDerWaalsContact O-CB 3.25Å; N332-H336 WeakPolarHBondContact O-CB 3.42Å; N332-H336 PolarHBondContact O-N 3.2Å
333	R	93.8	Very high	92.4	Very high	177 Å²	177	61.4 Å²	61.4	67%	0.668	32%	0.316	S	S	*	.	H	α-helix	trans	-62.7	-52.1	176.3	-177.8	177	179.3	166.1	2.5	112.2	A329 H330 R331 F335 H336 D337	A329-R333 PolarHBondContact O-N 2.9Å; H330-R333 PolarHBondContact O-N 3.28Å; R331-R333 VanDerWaalsContact C-N 3.31Å; R331-R333 PolarHBondContact O-N 2.78Å; R333-F335 VanDerWaalsContact C-N 3.26Å; R333-F335 PolarHBondContact O-N 3.23Å; R333-H336 PolarHBondContact O-N 3.49Å; R333-D337 IonicContact NE-OD2 3.92Å; R333-D337 WeakPolarHBondContact O-CB 3.29Å; R333-D337 VanDerWaalsContact O-CG 3.24Å; R333-D337 PolarHBondContact O-N 3.12Å
334	V	93.9	Very high	92.4	Very high	22 Å²	22	66.5 Å²	66.5	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-57.8	-43.4	178	167.4	0	0	0	0	110.9	Y320 I322 M326 H330 R331 F338 L346	Y320-V334 HydrophobicContact CD2-CG1 4.15Å; Y320-V334 HydrophobicContact CG-CG1 4.29Å; I322-V334 HydrophobicContact CB-CG1 4.33Å; M326-V334 HydrophobicContact CE-CG2 4.27Å; H330-V334 WeakPolarHBondContact O-CG2 3.46Å; H330-V334 PolarHBondContact O-N 3.17Å; R331-V334 PolarHBondContact O-N 3.16Å; V334-F338 VanDerWaalsContact O-CB 3.24Å; V334-F338 WeakPolarHBondContact O-CB 3.33Å; V334-F338 PolarHBondContact O-N 3.13Å; V334-L346 HydrophobicContact CG1-CD1 3.8Å
335	F	91.5	Very high	92.8	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-44	178.9	-174.5	-114.5	0	0	0	112	E134 R331 N332 R333 R339 L352 I356 I358	E134-F335 HydrophobicContact CB-CD1 4.34Å; E134-F335 HydrophobicContact CB-CE1 4.23Å; E134-F335 HydrophobicContact CB-CE2 4.48Å; E134-F335 HydrophobicContact CB-CG 4.5Å; E134-F335 HydrophobicContact CB-CZ 4.31Å; E134-F335 HydrophobicContact CG-CD1 4.32Å; E134-F335 HydrophobicContact CG-CD2 4.37Å; E134-F335 HydrophobicContact CG-CG 4.15Å; R331-F335 WeakPolarHBondContact O-CB 3.27Å; R331-F335 PolarHBondContact O-N 3.3Å; N332-F335 PolarHBondContact O-N 2.72Å; R333-F335 VanDerWaalsContact C-N 3.26Å; R333-F335 PolarHBondContact O-N 3.23Å; F335-R339 HydrophobicContact CE1-CG 4.43Å; F335-R339 HydrophobicContact CE2-CG 4.38Å; F335-R339 HydrophobicContact CZ-CG 4.21Å; F335-R339 WeakPolarHBondContact O-CB 3.5Å; F335-R339 WeakPolarHBondContact O-CG 3.37Å; F335-R339 PolarHBondContact O-N 3.01Å; F335-L352 HydrophobicContact CD2-CD1 4.39Å; F335-I356 HydrophobicContact CE2-CB 4.45Å; F335-I356 HydrophobicContact CE2-CD1 3.96Å; F335-I356 HydrophobicContact CE2-CG1 4.22Å; F335-I356 HydrophobicContact CE2-CG2 3.49Å; F335-I356 VanDerWaalsContact CE2-CG2 3.49Å; F335-I356 HydrophobicContact CZ-CD1 3.75Å; F335-I356 HydrophobicContact CZ-CG1 4.43Å; F335-I356 HydrophobicContact CZ-CG2 3.89Å; F335-I358 HydrophobicContact CE2-CD1 4.12Å
336	H	91.9	Very high	93.1	Very high	104 Å²	104	55.7 Å²	55.7	48%	0.481	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-54.7	174.6	178.3	83.2	0	0	0	111.1	N332 R333 F338 R339 Q340	N332-H336 VanDerWaalsContact O-CB 3.25Å; N332-H336 WeakPolarHBondContact O-CB 3.42Å; N332-H336 PolarHBondContact O-N 3.2Å; R333-H336 PolarHBondContact O-N 3.49Å; H336-F338 VanDerWaalsContact C-N 3.28Å; H336-F338 PolarHBondContact O-N 3.36Å; H336-R339 WeakPolarHBondContact O-CB 3.47Å; H336-R339 PolarHBondContact O-N 3.37Å; H336-Q340 WeakPolarHBondContact O-CG 3.38Å; H336-Q340 PolarHBondContact O-N 3.4Å
337	D	94.5	Very high	93.3	Very high	25 Å²	25	54.1 Å²	54.1	13%	0.134	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-37.9	-177.3	-66	-11.4	0	0	0	111.5	Y320 R333 Q340 G341 F342	Y320-D337 HydrophobicContact CD2-CB 4.49Å; Y320-D337 HydrophobicContact CE2-CB 3.64Å; R333-D337 IonicContact NE-OD2 3.92Å; R333-D337 WeakPolarHBondContact O-CB 3.29Å; R333-D337 VanDerWaalsContact O-CG 3.24Å; R333-D337 PolarHBondContact O-N 3.12Å; D337-Q340 PolarHBondContact O-N 3.43Å; D337-G341 PolarHBondContact O-N 3.43Å; D337-F342 HydrophobicContact CB-CB 4.32Å; D337-F342 HydrophobicContact CB-CD2 3.94Å; D337-F342 WeakPolarHBondContact O-CB 3.29Å; D337-F342 PolarHBondContact O-N 3.07Å
338	F	93.8	Very high	93.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-40.4	175.2	-173.3	-113.3	0	0	0	112.1	Q294 I296 V334 H336 Q340 G341 C343 L346 I358 V361	Q294-F338 HydrophobicContact CB-CE2 4.17Å; Q294-F338 HydrophobicContact CB-CZ 4.09Å; Q294-F338 HydrophobicContact CG-CE2 4.46Å; Q294-F338 VanDerWaalsContact NE2-CD2 3.33Å; Q294-F338 VanDerWaalsContact NE2-CE2 3.27Å; Q294-F338 PolarHBondContact NE2-O 3.11Å; I296-F338 HydrophobicContact CD1-CE1 4.11Å; I296-F338 HydrophobicContact CG1-CE1 3.84Å; I296-F338 HydrophobicContact CG1-CZ 3.94Å; V334-F338 VanDerWaalsContact O-CB 3.24Å; V334-F338 WeakPolarHBondContact O-CB 3.33Å; V334-F338 PolarHBondContact O-N 3.13Å; H336-F338 VanDerWaalsContact C-N 3.28Å; H336-F338 PolarHBondContact O-N 3.36Å; F338-Q340 VanDerWaalsContact C-N 3.29Å; F338-Q340 PolarHBondContact O-N 3.43Å; F338-G341 PolarHBondContact O-N 2.66Å; F338-G341 VanDerWaalsContact O-N 3.12Å; F338-C343 HydrophobicContact CD2-CB 4.34Å; F338-C343 VanDerWaalsContact CD2-O 3.25Å; F338-C343 WeakPolarHBondContact CD2-O 3.24Å; F338-C343 WeakPolarHBondContact CE2-O 3.45Å; F338-L346 HydrophobicContact CD1-CB 4.07Å; F338-L346 HydrophobicContact CD1-CD2 3.49Å; F338-L346 VanDerWaalsContact CD1-CD2 3.49Å; F338-L346 HydrophobicContact CD1-CG 4.38Å; F338-L346 HydrophobicContact CD2-CB 3.83Å; F338-L346 HydrophobicContact CE1-CB 3.84Å; F338-L346 HydrophobicContact CE1-CD2 3.73Å; F338-L346 HydrophobicContact CE1-CG 4.46Å; F338-L346 HydrophobicContact CE2-CB 3.58Å; F338-L346 HydrophobicContact CG-CB 4.08Å; F338-L346 HydrophobicContact CG-CD2 3.95Å; F338-L346 HydrophobicContact CG-CG 4.49Å; F338-L346 HydrophobicContact CZ-CB 3.59Å; F338-L346 HydrophobicContact CZ-CD2 4.36Å; F338-I358 HydrophobicContact CD1-CD1 3.36Å; F338-I358 HydrophobicContact CE1-CD1 3.54Å; F338-I358 HydrophobicContact CE1-CG2 4.34Å; F338-V361 HydrophobicContact CE1-CG2 3.87Å; F338-V361 HydrophobicContact CZ-CG2 3.87Å
339	R	91.3	Very high	93.7	Very high	83 Å²	83	51.4 Å²	51.4	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-32.7	173.6	-78.3	-174.4	74.5	-167.3	2.1	113	F335 H336 G341 I358	F335-R339 HydrophobicContact CE1-CG 4.43Å; F335-R339 HydrophobicContact CE2-CG 4.38Å; F335-R339 HydrophobicContact CZ-CG 4.21Å; F335-R339 WeakPolarHBondContact O-CB 3.5Å; F335-R339 WeakPolarHBondContact O-CG 3.37Å; F335-R339 PolarHBondContact O-N 3.01Å; H336-R339 WeakPolarHBondContact O-CB 3.47Å; H336-R339 PolarHBondContact O-N 3.37Å; R339-G341 PolarHBondContact O-N 3.41Å; R339-I358 HydrophobicContact CG-CD1 3.89Å; R339-I358 HydrophobicContact CG-CG1 3.98Å
340	Q	91.7	Very high	93.6	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.3	175.6	-61.7	-51.6	-44.8	0	0	113.4	H336 D337 F338 F342	H336-Q340 WeakPolarHBondContact O-CG 3.38Å; H336-Q340 PolarHBondContact O-N 3.4Å; D337-Q340 PolarHBondContact O-N 3.43Å; F338-Q340 VanDerWaalsContact C-N 3.29Å; F338-Q340 PolarHBondContact O-N 3.43Å; Q340-F342 VanDerWaalsContact C-N 3.32Å; Q340-F342 HydrophobicContact CB-CD1 4.21Å; Q340-F342 HydrophobicContact CB-CD2 3.99Å; Q340-F342 HydrophobicContact CB-CE1 4Å; Q340-F342 HydrophobicContact CB-CE2 3.76Å; Q340-F342 HydrophobicContact CB-CG 4.2Å; Q340-F342 HydrophobicContact CB-CZ 3.77Å; Q340-F342 HydrophobicContact CG-CE2 4.19Å; Q340-F342 HydrophobicContact CG-CZ 4.33Å; Q340-F342 PolarHBondContact O-N 3.31Å
341	G	92.2	Very high	93	Very high	42 Å²	42	46.6 Å²	46.6	43%	0.433	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	11	-179.4	0	0	0	0	0	114.5	D337 F338 R339 C343	D337-G341 PolarHBondContact O-N 3.43Å; F338-G341 PolarHBondContact O-N 2.66Å; F338-G341 VanDerWaalsContact O-N 3.12Å; R339-G341 PolarHBondContact O-N 3.41Å; G341-C343 PolarHBondContact O-N 3.14Å
342	F	93.4	Very high	92.3	Very high	134 Å²	134	46 Å²	46	59%	0.588	22%	0.217	S	C	*	.	S	Bend	trans	-69.7	-15.1	179.5	-59.6	-26.6	0	0	0	113.3	D337 Q340	D337-F342 HydrophobicContact CB-CB 4.32Å; D337-F342 HydrophobicContact CB-CD2 3.94Å; D337-F342 WeakPolarHBondContact O-CB 3.29Å; D337-F342 PolarHBondContact O-N 3.07Å; Q340-F342 VanDerWaalsContact C-N 3.32Å; Q340-F342 HydrophobicContact CB-CD1 4.21Å; Q340-F342 HydrophobicContact CB-CD2 3.99Å; Q340-F342 HydrophobicContact CB-CE1 4Å; Q340-F342 HydrophobicContact CB-CE2 3.76Å; Q340-F342 HydrophobicContact CB-CG 4.2Å; Q340-F342 HydrophobicContact CB-CZ 3.77Å; Q340-F342 HydrophobicContact CG-CE2 4.19Å; Q340-F342 HydrophobicContact CG-CZ 4.33Å; Q340-F342 PolarHBondContact O-N 3.31Å
343	C	93.6	Very high	91.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	21%	0.207	C	C	.	.			trans	-135	135.2	175.8	-176	0	0	0	0	111.8	Q294 S318 C319 Y320 F338 G341 N345	Q294-C343 PolarHBondContact NE2-O 2.65Å; S318-C343 PolarHBondContact OG-SG 3.28Å; C319-C343 VanDerWaalsContact C-SG 3.54Å; C319-C343 WeakPolarHBondContact CA-SG 3.39Å; Y320-C343 HydrophobicContact CD1-CB 4.3Å; Y320-C343 HydrophobicContact CD2-CB 3.36Å; Y320-C343 HydrophobicContact CE1-CB 4.33Å; Y320-C343 HydrophobicContact CE2-CB 3.4Å; Y320-C343 VanDerWaalsContact CE2-CB 3.4Å; Y320-C343 HydrophobicContact CG-CB 3.84Å; Y320-C343 PolarHBondContact N-SG 2.8Å; F338-C343 HydrophobicContact CD2-CB 4.34Å; F338-C343 VanDerWaalsContact CD2-O 3.25Å; F338-C343 WeakPolarHBondContact CD2-O 3.24Å; F338-C343 WeakPolarHBondContact CE2-O 3.45Å; G341-C343 PolarHBondContact O-N 3.14Å; C343-N345 PolarHBondContact SG-O 2.63Å
344	R	95.4	Very high	91.1	Very high	110 Å²	110	36.9 Å²	36.9	42%	0.415	18%	0.18	S	C	.	.	S	Bend	trans	-78.8	-31.1	-177.6	-179.2	157	171.8	169.7	-4.6	113.7	I292 N293 Q294 S295	I292-R344 HydrophobicContact CG2-CG 4.3Å; I292-R344 PolarHBondContact O-NE 3.29Å; I292-R344 PolarHBondContact O-NH2 2.84Å; N293-R344 WeakPolarHBondContact O-CG 3.19Å; Q294-R344 CarbonylContact C-O 3.56Å; Q294-R344 WeakPolarHBondContact CA-O 3.42Å; S295-R344 PolarHBondContact N-O 2.74Å
345	N	97.6	Very high	90	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.2	-174.1	-52.2	-70.6	0	0	0	111.1	S295 I297 S318 C319 Y320 C343	S295-N345 PolarHBondContact OG-OD1 2.95Å; I297-N345 HydrophobicContact CD1-CB 4.29Å; S318-N345 WeakPolarHBondContact O-CB 3.26Å; S318-N345 PolarHBondContact O-N 3.03Å; S318-N345 PolarHBondContact O-ND2 3.35Å; C319-N345 CarbonylContact C-O 3.51Å; C319-N345 VanDerWaalsContact CA-O 3.28Å; C319-N345 WeakPolarHBondContact CA-O 3.47Å; C319-N345 HydrophobicContact CB-CB 4.39Å; Y320-N345 PolarHBondContact N-O 3.18Å; C343-N345 PolarHBondContact SG-O 2.63Å
346	L	97.4	Very high	89.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.8	174.2	-178	63.4	0	0	0	110.2	S295 I296 I297 Y320 I322 V334 F338 L352	S295-L346 PolarHBondContact O-N 2.71Å; I296-L346 CarbonylContact C-O 3.55Å; I296-L346 WeakPolarHBondContact CA-O 3.34Å; I296-L346 HydrophobicContact CG1-CB 4.47Å; I297-L346 PolarHBondContact N-O 3.06Å; Y320-L346 WeakPolarHBondContact O-CA 3.24Å; I322-L346 HydrophobicContact CB-CD1 4.33Å; I322-L346 HydrophobicContact CG2-CD1 3.64Å; I322-L346 HydrophobicContact CG2-CD2 3.95Å; I322-L346 HydrophobicContact CG2-CG 3.91Å; V334-L346 HydrophobicContact CG1-CD1 3.8Å; F338-L346 HydrophobicContact CD1-CB 4.07Å; F338-L346 HydrophobicContact CD1-CD2 3.49Å; F338-L346 VanDerWaalsContact CD1-CD2 3.49Å; F338-L346 HydrophobicContact CD1-CG 4.38Å; F338-L346 HydrophobicContact CD2-CB 3.83Å; F338-L346 HydrophobicContact CE1-CB 3.84Å; F338-L346 HydrophobicContact CE1-CD2 3.73Å; F338-L346 HydrophobicContact CE1-CG 4.46Å; F338-L346 HydrophobicContact CE2-CB 3.58Å; F338-L346 HydrophobicContact CG-CB 4.08Å; F338-L346 HydrophobicContact CG-CD2 3.95Å; F338-L346 HydrophobicContact CG-CG 4.49Å; F338-L346 HydrophobicContact CZ-CB 3.59Å; F338-L346 HydrophobicContact CZ-CD2 4.36Å; L346-L352 HydrophobicContact CD2-CD1 3.68Å
347	V	98.2	Very high	89.2	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.5	171.7	-173.1	0	0	0	0	109.4	I297 V305 L308 A309 I312 C319 Y320 Y321 I322	I297-V347 HydrophobicContact CB-CG2 4.2Å; I297-V347 HydrophobicContact CD1-CG2 4.31Å; I297-V347 CarbonylContact O-C 3.47Å; I297-V347 VanDerWaalsContact O-CA 3.29Å; I297-V347 WeakPolarHBondContact O-CA 3.19Å; V305-V347 HydrophobicContact CB-CG1 4.18Å; V305-V347 HydrophobicContact CG1-CB 4.38Å; V305-V347 HydrophobicContact CG1-CG1 3.98Å; V305-V347 HydrophobicContact CG2-CG1 4.28Å; L308-V347 HydrophobicContact CB-CG1 4.28Å; L308-V347 HydrophobicContact CD2-CG1 4.02Å; L308-V347 HydrophobicContact CD2-CG2 4.39Å; L308-V347 HydrophobicContact CG-CG1 4.39Å; L308-V347 HydrophobicContact CG-CG2 4.34Å; A309-V347 HydrophobicContact CB-CB 4.28Å; A309-V347 HydrophobicContact CB-CG2 4.15Å; I312-V347 HydrophobicContact CD1-CG2 3.52Å; C319-V347 VanDerWaalsContact SG-CG2 3.58Å; Y320-V347 PolarHBondContact O-N 3.26Å; Y321-V347 CarbonylContact C-O 3.59Å; Y321-V347 WeakPolarHBondContact CA-O 3.41Å; I322-V347 PolarHBondContact N-O 2.78Å
348	C	96.2	Very high	88.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.5	179.5	65.6	0	0	0	0	113.4	I296 I297 F298 C299 I322	I296-C348 VanDerWaalsContact CG2-SG 3.58Å; I297-C348 PolarHBondContact O-N 3.48Å; F298-C348 WeakPolarHBondContact CA-O 3.24Å; F298-C348 WeakPolarHBondContact CD1-SG 3.3Å; F298-C348 WeakPolarHBondContact CE1-SG 3.45Å; C299-C348 PolarHBondContact N-O 3.2Å; I322-C348 HydrophobicContact CG2-CB 3.46Å; I322-C348 VanDerWaalsContact CG2-CB 3.46Å; I322-C348 VanDerWaalsContact O-CA 3.23Å; I322-C348 WeakPolarHBondContact O-CA 3.22Å; I322-C348 VanDerWaalsContact O-CB 3.28Å; I322-C348 WeakPolarHBondContact O-CB 3.36Å
349	S	93.5	Very high	88.5	Confident	14 Å²	14	37.5 Å²	37.5	10%	0.098	18%	0.184	C	C	.	.			trans	-81.3	-168.4	166.2	68.6	0	0	0	0	109.6	C299 I322 L351	C299-S349 WeakPolarHBondContact O-CA 3.41Å; I322-S349 PolarHBondContact O-N 2.78Å; S349-L351 PolarHBondContact O-N 3.08Å
350	D	88.9	Confident	88.4	Confident	59 Å²	59	35 Å²	35	32%	0.316	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-65.3	6	175.7	-66	-48.9	0	0	0	115.5	T353 T375 R379	D350-T353 HydrophobicContact CB-CG2 4.01Å; D350-T353 WeakPolarHBondContact O-CG2 3.19Å; D350-T353 PolarHBondContact O-N 3.32Å; D350-T353 PolarHBondContact O-OG1 2.85Å; D350-T353 WeakPolarHBondContact OD1-CG2 3.41Å; D350-T375 WeakPolarHBondContact OD1-CG2 3.41Å; D350-R379 IonicContact OD1-CZ 3.56Å; D350-R379 IonicContact OD1-NE 3.91Å; D350-R379 PolarHBondContact OD1-NE 3.18Å; D350-R379 IonicContact OD1-NH2 2.83Å; D350-R379 PolarHBondContact OD1-NH2 3.3Å; D350-R379 IonicContact OD2-NH2 2.7Å; D350-R379 PolarHBondContact OD2-NH2 3.38Å
351	L	82	Confident	88.6	Confident	32 Å²	32	30.1 Å²	30.1	17%	0.168	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62	-43.4	-179.4	-174.5	69.4	0	0	0	112.5	I322 R331 S349	I322-L351 HydrophobicContact CG1-CD2 3.96Å; R331-L351 VanDerWaalsContact NH2-CD2 3.32Å; S349-L351 PolarHBondContact O-N 3.08Å
352	L	76.8	Confident	88.8	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-99.7	20.7	-176.3	-63	-167.2	0	0	0	113.5	E134 I322 F335 L346 R354 I356	E134-L352 HydrophobicContact CB-CD2 4.07Å; E134-L352 HydrophobicContact CG-CD2 3.71Å; I322-L352 HydrophobicContact CB-CD1 4.41Å; I322-L352 HydrophobicContact CD1-CD1 4.12Å; I322-L352 HydrophobicContact CD1-CD2 4.24Å; I322-L352 HydrophobicContact CD1-CG 4.43Å; I322-L352 HydrophobicContact CG1-CD1 4.37Å; I322-L352 HydrophobicContact CG1-CG 4.47Å; I322-L352 HydrophobicContact CG2-CD1 3.3Å; I322-L352 HydrophobicContact CG2-CG 3.88Å; F335-L352 HydrophobicContact CD2-CD1 4.39Å; L346-L352 HydrophobicContact CD2-CD1 3.68Å; L352-R354 VanDerWaalsContact C-N 3.28Å; L352-R354 PolarHBondContact O-N 2.92Å; L352-I356 HydrophobicContact CB-CG1 4.34Å; L352-I356 HydrophobicContact CD2-CG1 4.25Å
353	T	78.1	Confident	89	Confident	8 Å²	8	22.5 Å²	22.5	5%	0.049	11%	0.113	C	C	.	.			trans	-73.6	-20.1	-179.1	53.9	0	0	0	0	113.2	F298 D350 H378 R379 R382	F298-T353 HydrophobicContact CD1-CG2 4.05Å; F298-T353 HydrophobicContact CE1-CG2 3.52Å; F298-T353 HydrophobicContact CZ-CG2 4.1Å; D350-T353 HydrophobicContact CB-CG2 4.01Å; D350-T353 WeakPolarHBondContact O-CG2 3.19Å; D350-T353 PolarHBondContact O-N 3.32Å; D350-T353 PolarHBondContact O-OG1 2.85Å; D350-T353 WeakPolarHBondContact OD1-CG2 3.41Å; T353-H378 CarbonylContact O-C 3.57Å; T353-H378 WeakPolarHBondContact O-CB 3.41Å; T353-R379 HydrophobicContact CG2-CG 3.58Å; T353-R382 PolarHBondContact O-NE 3.4Å; T353-R382 PolarHBondContact O-NH2 3.41Å
354	R	81	Confident	89.2	Confident	23 Å²	23	22.5 Å²	22.5	9%	0.087	11%	0.112	C	C	.	.	S	Bend	trans	-112.8	133.2	-168.7	-61.3	-169.6	-175.7	-104.3	0.3	113	E205 D207 L352 I356 E374 H378	E205-R354 HydrophobicContact CG-CB 4.17Å; D207-R354 IonicContact OD1-CZ 2.67Å; D207-R354 IonicContact OD1-NH1 4Å; D207-R354 PolarHBondContact OD1-NH1 2.92Å; D207-R354 IonicContact OD2-NH1 3.53Å; D207-R354 PolarHBondContact OD2-NH1 3.3Å; L352-R354 VanDerWaalsContact C-N 3.28Å; L352-R354 PolarHBondContact O-N 2.92Å; R354-I356 WeakPolarHBondContact O-CG1 3.5Å; R354-I356 PolarHBondContact O-N 2.99Å; R354-E374 IonicContact CZ-OE1 3.69Å; R354-E374 IonicContact NH1-OE1 3.79Å; R354-E374 PolarHBondContact NH1-OE1 3.29Å; R354-E374 IonicContact NH2-OE1 2.84Å; R354-E374 PolarHBondContact NH2-OE1 3.27Å; R354-H378 PolarHBondContact NH1-NE2 2.89Å
355	G	71.7	Confident	89.3	Confident	8 Å²	8	17.3 Å²	17.3	8%	0.082	9%	0.093	C	C	.	.	S	Bend	trans	64.9	-29.9	171.6	0	0	0	0	0	119.2	Q138 E205 D357 R382 R385	Q138-G355 PolarHBondContact NE2-O 2.75Å; E205-G355 WeakPolarHBondContact OE1-CA 3.3Å; E205-G355 PolarHBondContact OE1-N 3.41Å; G355-D357 PolarHBondContact O-N 2.83Å; G355-R382 VanDerWaalsContact C-NH1 3.27Å; G355-R382 VanDerWaalsContact N-NH1 3.14Å; G355-R385 PolarHBondContact O-NH1 3.24Å; G355-R385 VanDerWaalsContact O-NH1 3.13Å; G355-R385 PolarHBondContact O-NH2 2.84Å
356	I	82.6	Confident	89.4	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.092	C	C	.	.			trans	-49.4	117.4	178.2	-56.6	-41.9	0	0	0	114.2	E134 F335 L352 R354 I358 R382 R385	E134-I356 HydrophobicContact CB-CD1 3.53Å; F335-I356 HydrophobicContact CE2-CB 4.45Å; F335-I356 HydrophobicContact CE2-CD1 3.96Å; F335-I356 HydrophobicContact CE2-CG1 4.22Å; F335-I356 HydrophobicContact CE2-CG2 3.49Å; F335-I356 VanDerWaalsContact CE2-CG2 3.49Å; F335-I356 HydrophobicContact CZ-CD1 3.75Å; F335-I356 HydrophobicContact CZ-CG1 4.43Å; F335-I356 HydrophobicContact CZ-CG2 3.89Å; L352-I356 HydrophobicContact CB-CG1 4.34Å; L352-I356 HydrophobicContact CD2-CG1 4.25Å; R354-I356 WeakPolarHBondContact O-CG1 3.5Å; R354-I356 PolarHBondContact O-N 2.99Å; I356-I358 HydrophobicContact CG2-CD1 3.82Å; I356-I358 HydrophobicContact CG2-CG1 3.83Å; I356-R382 PolarHBondContact O-NH1 2.51Å; I356-R385 VanDerWaalsContact C-CZ 3.47Å; I356-R385 PolarHBondContact O-NE 3Å; I356-R385 PolarHBondContact O-NH1 3.24Å; I356-R385 PolarHBondContact O-NH2 2.92Å
357	D	83.7	Confident	89.4	Confident	44 Å²	44	17.7 Å²	17.7	24%	0.235	9%	0.094	C	C	.	.			trans	-109.9	114.2	179.5	-153.9	-37.5	0	0	0	111.7	G355 R385	G355-D357 PolarHBondContact O-N 2.83Å; D357-R385 VanDerWaalsContact CG-CD 3.4Å; D357-R385 WeakPolarHBondContact OD1-CD 3.1Å; D357-R385 IonicContact OD1-NH1 3.46Å; D357-R385 IonicContact OD2-CZ 3.69Å; D357-R385 IonicContact OD2-NH1 3.67Å; D357-R385 PolarHBondContact OD2-NH1 3.43Å
358	I	88.7	Confident	89.4	Confident	8 Å²	8	18.1 Å²	18.1	4%	0.041	10%	0.097	C	C	.	.			trans	-138.2	92.6	177.7	-51.8	-175.5	0	0	0	106.9	F335 F338 R339 I356 S360 V361	F335-I358 HydrophobicContact CE2-CD1 4.12Å; F338-I358 HydrophobicContact CD1-CD1 3.36Å; F338-I358 HydrophobicContact CE1-CD1 3.54Å; F338-I358 HydrophobicContact CE1-CG2 4.34Å; R339-I358 HydrophobicContact CG-CD1 3.89Å; R339-I358 HydrophobicContact CG-CG1 3.98Å; I356-I358 HydrophobicContact CG2-CD1 3.82Å; I356-I358 HydrophobicContact CG2-CG1 3.83Å; I358-S360 VanDerWaalsContact CG2-OG 3.31Å; I358-S360 WeakPolarHBondContact CG2-OG 3.3Å; I358-S360 PolarHBondContact O-N 3.18Å; I358-S360 VanDerWaalsContact O-N 3.07Å; I358-V361 HydrophobicContact CB-CG2 3.83Å; I358-V361 HydrophobicContact CG2-CG2 3.74Å; I358-V361 WeakPolarHBondContact O-CB 3.28Å; I358-V361 PolarHBondContact O-N 2.95Å
359	Q	84.9	Confident	89.5	Confident	110 Å²	110	18.2 Å²	18.2	51%	0.514	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.7	-172.6	-69.3	-173.2	-31.4	0	0	114.5	V361	Q359-V361 VanDerWaalsContact C-N 3.31Å
360	S	89.7	Confident	89.6	Confident	30 Å²	30	17.6 Å²	17.6	21%	0.21	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.3	177	44.3	0	0	0	0	113.6	N293 Q294 I358 N362	N293-S360 WeakPolarHBondContact ND2-CB 3.47Å; N293-S360 PolarHBondContact ND2-O 2.75Å; N293-S360 VanDerWaalsContact ND2-O 3.14Å; Q294-S360 PolarHBondContact N-O 3.37Å; Q294-S360 PolarHBondContact OE1-OG 3.05Å; I358-S360 VanDerWaalsContact CG2-OG 3.31Å; I358-S360 WeakPolarHBondContact CG2-OG 3.3Å; I358-S360 PolarHBondContact O-N 3.18Å; I358-S360 VanDerWaalsContact O-N 3.07Å; S360-N362 PolarHBondContact O-N 2.81Å
361	V	95.4	Very high	89.9	Confident	6 Å²	6	23.4 Å²	23.4	4%	0.036	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	106.8	174.5	176.1	0	0	0	0	109.3	Q294 I296 F338 I358 Q359 V364	Q294-V361 HydrophobicContact CB-CG2 4.16Å; Q294-V361 WeakPolarHBondContact O-CA 3.35Å; I296-V361 HydrophobicContact CD1-CG1 4.26Å; I296-V361 HydrophobicContact CD1-CG2 3.98Å; I296-V361 HydrophobicContact CG1-CG1 4.07Å; I296-V361 HydrophobicContact CG1-CG2 3.95Å; F338-V361 HydrophobicContact CE1-CG2 3.87Å; F338-V361 HydrophobicContact CZ-CG2 3.87Å; I358-V361 HydrophobicContact CB-CG2 3.83Å; I358-V361 HydrophobicContact CG2-CG2 3.74Å; I358-V361 WeakPolarHBondContact O-CB 3.28Å; I358-V361 PolarHBondContact O-N 2.95Å; Q359-V361 VanDerWaalsContact C-N 3.31Å; V361-V364 HydrophobicContact CG1-CG2 4.35Å
362	N	95.7	Very high	90.4	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-13.4	177	65.8	-24.5	0	0	0	113.7	Q291 N293 Q294 S360 S383 G390 I391 Y427	Q291-N362 PolarHBondContact O-ND2 2.83Å; Q291-N362 VanDerWaalsContact O-ND2 3.16Å; N293-N362 PolarHBondContact N-ND2 3.03Å; N293-N362 PolarHBondContact N-OD1 2.98Å; Q294-N362 PolarHBondContact O-N 3.37Å; Q294-N362 PolarHBondContact O-OD1 3.4Å; S360-N362 PolarHBondContact O-N 2.81Å; N362-S383 VanDerWaalsContact C-OG 3.24Å; N362-S383 PolarHBondContact O-OG 3.21Å; N362-G390 WeakPolarHBondContact O-CA 3.49Å; N362-I391 PolarHBondContact O-N 3.07Å; N362-Y427 WeakPolarHBondContact CB-O 3.49Å; N362-Y427 WeakPolarHBondContact ND2-CD2 3.43Å; N362-Y427 PolarHBondContact ND2-O 3.3Å
363	V	97.8	Very high	91.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126	179.2	-177.3	0	0	0	0	110.8	L290 I292 S295 I296 V365 I391 I393 Y427	L290-V363 HydrophobicContact CD1-CG1 4.49Å; I292-V363 HydrophobicContact CG1-CB 4.23Å; I292-V363 HydrophobicContact CG1-CG2 3.85Å; S295-V363 WeakPolarHBondContact CA-O 3.29Å; S295-V363 WeakPolarHBondContact CB-O 3.33Å; I296-V363 PolarHBondContact N-O 2.84Å; V363-V365 HydrophobicContact CG1-CG2 3.98Å; V363-I391 WeakPolarHBondContact CA-O 3.36Å; V363-I391 HydrophobicContact CB-CG1 4.3Å; V363-I391 HydrophobicContact CG1-CD1 4.43Å; V363-I391 HydrophobicContact CG1-CG1 4.15Å; V363-I391 HydrophobicContact CG2-CD1 3.98Å; V363-I391 HydrophobicContact CG2-CG1 3.75Å; V363-I393 HydrophobicContact CG1-CD1 4.47Å; V363-Y427 HydrophobicContact CG2-CD2 3.76Å; V363-Y427 HydrophobicContact CG2-CE2 4.22Å
364	V	97.6	Very high	91.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.1	166.4	168.9	0	0	0	0	108.6	I296 F298 V361 R382 I391 A392 I393	I296-V364 WeakPolarHBondContact O-CA 3.25Å; F298-V364 HydrophobicContact CD2-CG1 3.88Å; F298-V364 HydrophobicContact CE2-CG1 3.83Å; V361-V364 HydrophobicContact CG1-CG2 4.35Å; V364-R382 HydrophobicContact CG2-CB 3.73Å; V364-I391 PolarHBondContact N-O 2.86Å; V364-A392 HydrophobicContact CB-CB 4.39Å; V364-A392 CarbonylContact O-C 3.57Å; V364-A392 WeakPolarHBondContact O-CA 3.31Å; V364-I393 PolarHBondContact O-N 3.21Å
365	V	98.4	Very high	92.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.5	173.5	-174.3	0	0	0	0	109.5	L283 L286 I296 I297 F298 V363 F367 I393 M395	L283-V365 HydrophobicContact CD1-CG1 4.06Å; L283-V365 HydrophobicContact CD1-CG2 4.44Å; L286-V365 HydrophobicContact CD1-CG1 4.49Å; I296-V365 PolarHBondContact O-N 3.25Å; I297-V365 CarbonylContact C-O 3.58Å; I297-V365 VanDerWaalsContact CA-O 3.26Å; I297-V365 WeakPolarHBondContact CA-O 3.48Å; I297-V365 HydrophobicContact CG1-CB 4.2Å; I297-V365 HydrophobicContact CG2-CB 4.3Å; F298-V365 PolarHBondContact N-O 3.44Å; V363-V365 HydrophobicContact CG1-CG2 3.98Å; V365-F367 PolarHBondContact O-N 3.2Å; V365-F367 VanDerWaalsContact O-N 3.16Å; V365-I393 CarbonylContact C-O 3.29Å; V365-I393 WeakPolarHBondContact CA-O 3.26Å; V365-M395 HydrophobicContact CG1-CE 4.02Å
366	N	98.5	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	87.8	166.2	-70	-37.5	0	0	0	108.2	D368 R379 I393 N394 M395	N366-D368 VanDerWaalsContact C-N 3.28Å; N366-R379 WeakPolarHBondContact OD1-CD 3.47Å; N366-I393 PolarHBondContact N-O 2.86Å; N366-N394 WeakPolarHBondContact CB-OD1 3.32Å; N366-N394 PolarHBondContact ND2-OD1 2.91Å; N366-M395 PolarHBondContact O-N 2.99Å
367	F	98.5	Very high	93.9	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.044	13%	0.131	C	C	.	.	S	Bend	trans	-64.2	-39.1	177.2	-174.7	-92.8	0	0	0	111.1	K279 V280 L283 I297 F298 R304 L308 V365 M395	K279-F367 HydrophobicContact CB-CD2 4.36Å; K279-F367 HydrophobicContact CB-CE1 4.17Å; K279-F367 HydrophobicContact CB-CE2 3.57Å; K279-F367 HydrophobicContact CB-CZ 3.45Å; K279-F367 VanDerWaalsContact CB-CZ 3.45Å; K279-F367 HydrophobicContact CD-CD1 4.35Å; K279-F367 HydrophobicContact CD-CE1 4.04Å; K279-F367 HydrophobicContact CD-CZ 4.17Å; K279-F367 WeakPolarHBondContact CD-O 3.14Å; K279-F367 VanDerWaalsContact CE-O 3.24Å; K279-F367 WeakPolarHBondContact CE-O 3.4Å; K279-F367 HydrophobicContact CG-CZ 4.45Å; K279-F367 PolarHBondContact NZ-O 3.28Å; V280-F367 HydrophobicContact CG2-CE2 4.36Å; V280-F367 HydrophobicContact CG2-CZ 4Å; L283-F367 HydrophobicContact CB-CE2 4.49Å; L283-F367 HydrophobicContact CD2-CD2 4.23Å; L283-F367 HydrophobicContact CD2-CE2 4.33Å; I297-F367 HydrophobicContact CG2-CB 3.81Å; F298-F367 WeakPolarHBondContact O-CB 3.33Å; F298-F367 PolarHBondContact O-N 2.79Å; R304-F367 VanDerWaalsContact NH2-CE1 3.31Å; L308-F367 HydrophobicContact CD1-CD2 4.19Å; L308-F367 HydrophobicContact CD1-CE1 4.34Å; L308-F367 HydrophobicContact CD1-CE2 3.72Å; L308-F367 HydrophobicContact CD1-CZ 3.81Å; L308-F367 HydrophobicContact CD2-CB 4.02Å; L308-F367 HydrophobicContact CD2-CD1 3.83Å; L308-F367 HydrophobicContact CD2-CD2 3.75Å; L308-F367 HydrophobicContact CD2-CE1 4.17Å; L308-F367 HydrophobicContact CD2-CE2 4.1Å; L308-F367 HydrophobicContact CD2-CG 3.59Å; L308-F367 HydrophobicContact CD2-CZ 4.3Å; V365-F367 PolarHBondContact O-N 3.2Å; V365-F367 VanDerWaalsContact O-N 3.16Å; F367-M395 HydrophobicContact CD2-CE 4.28Å; F367-M395 HydrophobicContact CD2-SD 3.59Å; F367-M395 VanDerWaalsContact CD2-SD 3.59Å; F367-M395 HydrophobicContact CE2-SD 4.03Å; F367-M395 HydrophobicContact CG-SD 4.3Å
368	D	98	Very high	94.3	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	12%	0.12	C	C	.	.	S	Bend	trans	-106.8	126.7	162.1	-61.9	-36.1	0	0	0	108.9	K279 F298 C299 N300 R304 N366 R379	K279-D368 IonicContact NZ-OD1 3.65Å; K279-D368 PolarHBondContact NZ-OD1 3.31Å; F298-D368 PolarHBondContact O-N 3.3Å; C299-D368 WeakPolarHBondContact CA-OD2 3.45Å; N300-D368 HydrophobicContact CB-CB 3.98Å; N300-D368 VanDerWaalsContact CG-CB 3.49Å; N300-D368 PolarHBondContact N-OD2 3.33Å; R304-D368 IonicContact CZ-OD1 3.78Å; R304-D368 IonicContact CZ-OD2 3.4Å; R304-D368 IonicContact NE-OD1 3.74Å; R304-D368 PolarHBondContact NE-OD1 2.93Å; R304-D368 IonicContact NE-OD2 2.78Å; R304-D368 PolarHBondContact NE-OD2 2.94Å; R304-D368 IonicContact NH2-OD1 2.71Å; R304-D368 PolarHBondContact NH2-OD1 3.01Å; R304-D368 IonicContact NH2-OD2 2.72Å; N366-D368 VanDerWaalsContact C-N 3.28Å; D368-R379 PolarHBondContact O-NH1 3.42Å
369	F	97.8	Very high	94.6	Very high	3 Å²	3	25 Å²	25	1%	0.013	12%	0.118	C	C	.	.			trans	-60.9	134.9	176	-161.6	-112.6	0	0	0	110	N300 Y376 N394 V396 D400 T403 L404 I407	N300-F369 PolarHBondContact ND2-O 3.06Å; F369-Y376 HydrophobicContact CE2-CD2 4.19Å; F369-Y376 HydrophobicContact CE2-CE2 4.12Å; F369-Y376 HydrophobicContact CZ-CD2 4.39Å; F369-N394 HydrophobicContact CD2-CB 3.9Å; F369-N394 HydrophobicContact CE2-CB 3.9Å; F369-V396 HydrophobicContact CD2-CG2 3.82Å; F369-V396 HydrophobicContact CE2-CG2 4.12Å; F369-V396 HydrophobicContact CG-CG2 4.28Å; F369-D400 HydrophobicContact CB-CB 4.1Å; F369-D400 HydrophobicContact CD1-CB 4.06Å; F369-D400 HydrophobicContact CG-CB 4.3Å; F369-T403 HydrophobicContact CD1-CG2 4.07Å; F369-T403 HydrophobicContact CE1-CG2 3.98Å; F369-L404 HydrophobicContact CE1-CB 3.94Å; F369-L404 HydrophobicContact CE1-CD1 4.33Å; F369-L404 HydrophobicContact CE2-CD1 4.03Å; F369-L404 HydrophobicContact CZ-CB 4.04Å; F369-L404 HydrophobicContact CZ-CD1 3.56Å; F369-L404 HydrophobicContact CZ-CG 4.43Å; F369-I407 HydrophobicContact CE1-CD1 3.69Å; F369-I407 HydrophobicContact CZ-CD1 3.92Å
370	P	96.4	Very high	95	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.			trans	-67.3	153.4	-178.7	26.8	-34	0	0	0	111.5	T375 Y376 T403 I407	P370-T375 HydrophobicContact CB-CG2 3.81Å; P370-Y376 HydrophobicContact CG-CD2 3.59Å; P370-Y376 HydrophobicContact CG-CG 4.05Å; P370-T403 VanDerWaalsContact O-CG2 3.31Å; P370-T403 WeakPolarHBondContact O-CG2 3.44Å; P370-I407 HydrophobicContact CG-CD1 4.26Å
371	R	94.1	Very high	95.1	Very high	181 Å²	181	18.6 Å²	18.6	68%	0.683	9%	0.086	S	C	*	.	S	Bend	trans	-80.7	-13.7	-174.4	-63.5	178.6	179.2	160.9	-1.3	114.3	R406	R371-R406 PolarHBondContact O-NH2 3.4Å
372	N	93.4	Very high	94.9	Very high	54 Å²	54	18.5 Å²	18.5	29%	0.289	9%	0.085	S	C	.	.	S	Bend	trans	-156.4	163.5	-177.7	58	45.1	0	0	0	111.1	E374 T375 Y376	N372-E374 VanDerWaalsContact C-N 3.33Å; N372-E374 PolarHBondContact O-N 3.23Å; N372-T375 PolarHBondContact O-N 3.19Å; N372-T375 WeakPolarHBondContact OD1-CB 3.34Å; N372-T375 PolarHBondContact OD1-N 2.81Å; N372-T375 PolarHBondContact OD1-OG1 2.93Å; N372-Y376 PolarHBondContact O-N 2.85Å; N372-Y376 VanDerWaalsContact O-N 3.09Å
373	A	92.9	Very high	94.7	Very high	5 Å²	5	17.7 Å²	17.7	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-63.9	-36.2	-176.8	0	0	0	0	0	113.2	Y376 L377 I407 E410 L411	A373-Y376 WeakPolarHBondContact O-CB 3.45Å; A373-Y376 PolarHBondContact O-N 3.48Å; A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 3.11Å; A373-I407 HydrophobicContact CB-CG1 4.22Å; A373-E410 HydrophobicContact CB-CB 3.81Å; A373-E410 WeakPolarHBondContact CB-OE2 3.38Å; A373-L411 HydrophobicContact CB-CD1 4.19Å; A373-L411 HydrophobicContact CB-CD2 3.84Å; A373-L411 HydrophobicContact CB-CG 3.79Å
374	E	90.3	Very high	94.4	Very high	68 Å²	68	17.9 Å²	17.9	32%	0.318	8%	0.082	S	C	.	.	H	α-helix	trans	-59	-51.9	177.3	-176.1	-172.1	169	0	0	110.9	T237 R354 N372 Y376 L377 H378	T237-E374 HydrophobicContact CG2-CG 4.3Å; R354-E374 IonicContact CZ-OE1 3.69Å; R354-E374 IonicContact NH1-OE1 3.79Å; R354-E374 PolarHBondContact NH1-OE1 3.29Å; R354-E374 IonicContact NH2-OE1 2.84Å; R354-E374 PolarHBondContact NH2-OE1 3.27Å; N372-E374 VanDerWaalsContact C-N 3.33Å; N372-E374 PolarHBondContact O-N 3.23Å; E374-Y376 VanDerWaalsContact C-N 3.3Å; E374-Y376 PolarHBondContact O-N 3.35Å; E374-L377 PolarHBondContact O-N 3.14Å; E374-H378 PolarHBondContact O-CD2 3.36Å; E374-H378 PolarHBondContact O-N 2.85Å; E374-H378 VanDerWaalsContact O-N 3.11Å
375	T	92.6	Very high	94	Very high	23 Å²	23	18.6 Å²	18.6	14%	0.141	9%	0.085	C	C	.	.	H	α-helix	trans	-61.9	-41.6	178.3	-55.5	0	0	0	0	110.8	D350 P370 N372 H378 R379	D350-T375 WeakPolarHBondContact OD1-CG2 3.41Å; P370-T375 HydrophobicContact CB-CG2 3.81Å; N372-T375 PolarHBondContact O-N 3.19Å; N372-T375 WeakPolarHBondContact OD1-CB 3.34Å; N372-T375 PolarHBondContact OD1-N 2.81Å; N372-T375 PolarHBondContact OD1-OG1 2.93Å; T375-H378 PolarHBondContact O-N 2.82Å; T375-R379 HydrophobicContact CG2-CG 4.34Å; T375-R379 WeakPolarHBondContact O-CB 3.15Å; T375-R379 VanDerWaalsContact O-CG 3.28Å; T375-R379 WeakPolarHBondContact O-CG 3.49Å; T375-R379 PolarHBondContact O-N 2.89Å
376	Y	95	Very high	93.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.5	-53.1	175.8	180	-91.6	0	0	0	112	Q269 F369 P370 N372 A373 E374 H378 R379 I380 N394 I407 L411 I415	Q269-Y376 VanDerWaalsContact OE1-CZ 3.28Å; Q269-Y376 PolarHBondContact OE1-OH 3.01Å; F369-Y376 HydrophobicContact CE2-CD2 4.19Å; F369-Y376 HydrophobicContact CE2-CE2 4.12Å; F369-Y376 HydrophobicContact CZ-CD2 4.39Å; P370-Y376 HydrophobicContact CG-CD2 3.59Å; P370-Y376 HydrophobicContact CG-CG 4.05Å; N372-Y376 PolarHBondContact O-N 2.85Å; N372-Y376 VanDerWaalsContact O-N 3.09Å; A373-Y376 WeakPolarHBondContact O-CB 3.45Å; A373-Y376 PolarHBondContact O-N 3.48Å; E374-Y376 VanDerWaalsContact C-N 3.3Å; E374-Y376 PolarHBondContact O-N 3.35Å; Y376-H378 VanDerWaalsContact C-N 3.28Å; Y376-H378 PolarHBondContact O-N 2.95Å; Y376-R379 PolarHBondContact O-N 2.84Å; Y376-R379 VanDerWaalsContact O-N 3.17Å; Y376-I380 HydrophobicContact CD1-CD1 4.13Å; Y376-I380 HydrophobicContact CD1-CG1 4.41Å; Y376-I380 HydrophobicContact CD1-CG2 4.43Å; Y376-I380 HydrophobicContact CD2-CG2 4.41Å; Y376-I380 HydrophobicContact CE1-CD1 3.51Å; Y376-I380 HydrophobicContact CE1-CG1 4.17Å; Y376-I380 HydrophobicContact CE1-CG2 4.05Å; Y376-I380 HydrophobicContact CE2-CG2 3.99Å; Y376-I380 WeakPolarHBondContact O-CG1 3.41Å; Y376-I380 PolarHBondContact O-N 2.85Å; Y376-N394 VanDerWaalsContact CE2-OD1 3.29Å; Y376-N394 WeakPolarHBondContact CE2-OD1 3.44Å; Y376-N394 PolarHBondContact OH-ND2 3.07Å; Y376-I407 HydrophobicContact CD1-CG2 3.84Å; Y376-I407 HydrophobicContact CD2-CG2 4.18Å; Y376-I407 HydrophobicContact CE1-CG2 4.34Å; Y376-I407 HydrophobicContact CG-CG2 3.76Å; Y376-L411 HydrophobicContact CD1-CD1 3.4Å; Y376-L411 HydrophobicContact CE1-CD1 3.94Å; Y376-L411 HydrophobicContact CG-CD1 4.37Å; Y376-I415 HydrophobicContact CE1-CD1 4.23Å; Y376-I415 HydrophobicContact CE2-CD1 3.78Å; Y376-I415 VanDerWaalsContact CZ-CD1 3.5Å; Y376-I415 VanDerWaalsContact OH-CD1 3.24Å; Y376-I415 WeakPolarHBondContact OH-CD1 3.44Å; Y376-I415 WeakPolarHBondContact OH-CG1 3.34Å
377	L	92.2	Very high	93.3	Very high	9 Å²	9	20.2 Å²	20.2	5%	0.047	9%	0.092	C	C	.	.	H	α-helix	trans	-57.2	-42.2	-178.9	-179	64.1	0	0	0	112	A236 T237 L262 T263 A373 E374 G381	A236-L377 HydrophobicContact CB-CD2 4.38Å; T237-L377 HydrophobicContact CG2-CD2 3.96Å; L262-L377 HydrophobicContact CB-CD1 4.37Å; L262-L377 HydrophobicContact CB-CD2 4.34Å; L262-L377 VanDerWaalsContact O-CD1 3.27Å; L262-L377 WeakPolarHBondContact O-CD1 3.41Å; T263-L377 HydrophobicContact CG2-CD1 4.14Å; A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 3.11Å; E374-L377 PolarHBondContact O-N 3.14Å; L377-G381 PolarHBondContact O-N 2.89Å; L377-G381 VanDerWaalsContact O-N 3.12Å
378	H	91.7	Very high	93	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.9	-40.2	178.8	-75.7	-60.4	0	0	0	112.9	N101 E205 D207 T353 R354 E374 T375 Y376 R382	N101-H378 PolarHBondContact ND2-ND1 2.77Å; E205-H378 IonicContact OE2-CE1 2.89Å; D207-H378 IonicContact OD2-CE1 3.98Å; D207-H378 IonicContact OD2-NE2 2.69Å; D207-H378 PolarHBondContact OD2-NE2 2.99Å; D207-H378 VanDerWaalsContact OD2-NE2 3.09Å; T353-H378 CarbonylContact O-C 3.57Å; T353-H378 WeakPolarHBondContact O-CB 3.41Å; R354-H378 PolarHBondContact NH1-NE2 2.89Å; E374-H378 PolarHBondContact O-CD2 3.36Å; E374-H378 PolarHBondContact O-N 2.85Å; E374-H378 VanDerWaalsContact O-N 3.11Å; T375-H378 PolarHBondContact O-N 2.82Å; Y376-H378 VanDerWaalsContact C-N 3.28Å; Y376-H378 PolarHBondContact O-N 2.95Å; H378-R382 PolarHBondContact O-NE 2.95Å; H378-R382 VanDerWaalsContact O-NE 3.13Å; H378-R382 PolarHBondContact O-NH2 3.39Å
379	R	95.2	Very high	92.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-53.3	175.7	-74.6	-176.4	-175	-173	2.6	112.1	F298 N300 D350 T353 N366 D368 T375 Y376 G381 R382	F298-R379 HydrophobicContact CB-CG 4.31Å; F298-R379 HydrophobicContact CD1-CG 3.89Å; F298-R379 HydrophobicContact CD2-CB 3.73Å; F298-R379 HydrophobicContact CD2-CG 3.64Å; F298-R379 HydrophobicContact CE1-CG 4.03Å; F298-R379 HydrophobicContact CE2-CB 3.67Å; F298-R379 HydrophobicContact CE2-CG 3.8Å; F298-R379 HydrophobicContact CG-CB 4.3Å; F298-R379 HydrophobicContact CG-CG 3.68Å; F298-R379 HydrophobicContact CZ-CB 4.21Å; F298-R379 HydrophobicContact CZ-CG 3.99Å; N300-R379 PolarHBondContact OD1-NH1 3.4Å; N300-R379 PolarHBondContact OD1-NH2 3.27Å; D350-R379 IonicContact OD1-CZ 3.56Å; D350-R379 IonicContact OD1-NE 3.91Å; D350-R379 PolarHBondContact OD1-NE 3.18Å; D350-R379 IonicContact OD1-NH2 2.83Å; D350-R379 PolarHBondContact OD1-NH2 3.3Å; D350-R379 IonicContact OD2-NH2 2.7Å; D350-R379 PolarHBondContact OD2-NH2 3.38Å; T353-R379 HydrophobicContact CG2-CG 3.58Å; N366-R379 WeakPolarHBondContact OD1-CD 3.47Å; D368-R379 PolarHBondContact O-NH1 3.42Å; T375-R379 HydrophobicContact CG2-CG 4.34Å; T375-R379 WeakPolarHBondContact O-CB 3.15Å; T375-R379 VanDerWaalsContact O-CG 3.28Å; T375-R379 WeakPolarHBondContact O-CG 3.49Å; T375-R379 PolarHBondContact O-N 2.89Å; Y376-R379 PolarHBondContact O-N 2.84Å; Y376-R379 VanDerWaalsContact O-N 3.17Å; R379-G381 VanDerWaalsContact C-N 3.26Å; R379-G381 PolarHBondContact O-N 2.81Å; R379-R382 WeakPolarHBondContact O-CB 3.48Å; R379-R382 WeakPolarHBondContact O-CG 3.35Å; R379-R382 PolarHBondContact O-N 3.23Å
380	I	94.6	Very high	92.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-29.4	-176.7	68.1	162.8	0	0	0	112.1	T263 V267 Q269 Y376 R382 S383 A392	T263-I380 HydrophobicContact CG2-CD1 3.86Å; V267-I380 HydrophobicContact CG1-CB 4.36Å; Q269-I380 HydrophobicContact CG-CD1 4.17Å; Y376-I380 HydrophobicContact CD1-CD1 4.13Å; Y376-I380 HydrophobicContact CD1-CG1 4.41Å; Y376-I380 HydrophobicContact CD1-CG2 4.43Å; Y376-I380 HydrophobicContact CD2-CG2 4.41Å; Y376-I380 HydrophobicContact CE1-CD1 3.51Å; Y376-I380 HydrophobicContact CE1-CG1 4.17Å; Y376-I380 HydrophobicContact CE1-CG2 4.05Å; Y376-I380 HydrophobicContact CE2-CG2 3.99Å; Y376-I380 WeakPolarHBondContact O-CG1 3.41Å; Y376-I380 PolarHBondContact O-N 2.85Å; I380-R382 PolarHBondContact O-N 3.08Å; I380-S383 PolarHBondContact O-N 3.48Å; I380-S383 VanDerWaalsContact O-N 3.07Å; I380-A392 HydrophobicContact CB-CB 3.81Å; I380-A392 HydrophobicContact CG2-CB 3.53Å
381	G	91.4	Very high	92.9	Very high	4 Å²	4	21.2 Å²	21.2	4%	0.041	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	10.1	174.4	0	0	0	0	0	115.2	L377 R379 R385	L377-G381 PolarHBondContact O-N 2.89Å; L377-G381 VanDerWaalsContact O-N 3.12Å; R379-G381 VanDerWaalsContact C-N 3.26Å; R379-G381 PolarHBondContact O-N 2.81Å; G381-R385 PolarHBondContact O-NE 3.18Å
382	R	91.5	Very high	93.1	Very high	3 Å²	3	12.6 Å²	12.6	1%	0.011	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-20.3	164.8	-62.9	-45.3	90.4	173.9	6.5	112.9	I296 F298 T353 G355 I356 V364 H378 R379 I380	I296-R382 HydrophobicContact CD1-CB 4.02Å; I296-R382 HydrophobicContact CD1-CG 4.08Å; F298-R382 HydrophobicContact CE2-CG 4.09Å; F298-R382 HydrophobicContact CZ-CG 3.74Å; T353-R382 PolarHBondContact O-NE 3.4Å; T353-R382 PolarHBondContact O-NH2 3.41Å; G355-R382 VanDerWaalsContact C-NH1 3.27Å; G355-R382 VanDerWaalsContact N-NH1 3.14Å; I356-R382 PolarHBondContact O-NH1 2.51Å; V364-R382 HydrophobicContact CG2-CB 3.73Å; H378-R382 PolarHBondContact O-NE 2.95Å; H378-R382 VanDerWaalsContact O-NE 3.13Å; H378-R382 PolarHBondContact O-NH2 3.39Å; R379-R382 WeakPolarHBondContact O-CB 3.48Å; R379-R382 WeakPolarHBondContact O-CG 3.35Å; R379-R382 PolarHBondContact O-N 3.23Å; I380-R382 PolarHBondContact O-N 3.08Å
383	S	91.8	Very high	93.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-102.2	166	172.8	-159.4	0	0	0	0	110.4	V267 N362 I380 R385 G390	V267-S383 VanDerWaalsContact CG2-O 3.27Å; V267-S383 WeakPolarHBondContact CG2-O 3.33Å; N362-S383 VanDerWaalsContact C-OG 3.24Å; N362-S383 PolarHBondContact O-OG 3.21Å; I380-S383 PolarHBondContact O-N 3.48Å; I380-S383 VanDerWaalsContact O-N 3.07Å; S383-R385 VanDerWaalsContact C-N 3.28Å; S383-R385 PolarHBondContact O-N 2.88Å; S383-G390 WeakPolarHBondContact OG-CA 3.34Å
384	G	89.7	Confident	93.6	Very high	3 Å²	3	9.8 Å²	9.8	3%	0.031	5%	0.049	C	C	.	.	S	Bend	trans	62.6	30	175.8	0	0	0	0	0	114.8	H388	G384-H388 CarbonylContact C-O 3.59Å; G384-H388 VanDerWaalsContact C-O 3.29Å; G384-H388 WeakPolarHBondContact CA-O 3.03Å
385	R	90.1	Very high	94	Very high	15 Å²	15	6.5 Å²	6.5	6%	0.057	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-71.5	148.7	-175.6	-74.2	-160.4	157.5	-135.7	-0.8	112.8	G355 I356 D357 G381 S383 G387 H388	G355-R385 PolarHBondContact O-NH1 3.24Å; G355-R385 VanDerWaalsContact O-NH1 3.13Å; G355-R385 PolarHBondContact O-NH2 2.84Å; I356-R385 VanDerWaalsContact C-CZ 3.47Å; I356-R385 PolarHBondContact O-NE 3Å; I356-R385 PolarHBondContact O-NH1 3.24Å; I356-R385 PolarHBondContact O-NH2 2.92Å; D357-R385 VanDerWaalsContact CG-CD 3.4Å; D357-R385 WeakPolarHBondContact OD1-CD 3.1Å; D357-R385 IonicContact OD1-NH1 3.46Å; D357-R385 IonicContact OD2-CZ 3.69Å; D357-R385 IonicContact OD2-NH1 3.67Å; D357-R385 PolarHBondContact OD2-NH1 3.43Å; G381-R385 PolarHBondContact O-NE 3.18Å; S383-R385 VanDerWaalsContact C-N 3.28Å; S383-R385 PolarHBondContact O-N 2.88Å; R385-G387 PolarHBondContact O-N 3.42Å; R385-H388 WeakPolarHBondContact O-CB 3.33Å; R385-H388 PolarHBondContact O-N 3.46Å; R385-H388 PolarHBondContact O-ND1 3.12Å
386	F	90.8	Very high	94.2	Very high	35 Å²	35	5.5 Å²	5.5	15%	0.154	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	51.1	41.8	-179.1	-153.8	-103.5	0	0	0	112.9	V49 G102 H388	V49-F386 HydrophobicContact CG1-CD2 4.31Å; V49-F386 HydrophobicContact CG1-CG 4.5Å; G102-F386 VanDerWaalsContact O-CA 3.24Å; G102-F386 WeakPolarHBondContact O-CA 3.22Å; G102-F386 PolarHBondContact O-N 2.87Å; F386-H388 VanDerWaalsContact C-N 3.28Å; F386-H388 PolarHBondContact O-N 3.47Å
387	G	91.1	Very high	94.4	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.01	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	80.8	-4.4	176.5	0	0	0	0	0	116	K45 T46 R385	K45-G387 CarbonylContact C-O 3.56Å; K45-G387 WeakPolarHBondContact CA-O 3.43Å; T46-G387 WeakPolarHBondContact CG2-O 3.41Å; T46-G387 PolarHBondContact N-O 3.14Å; T46-G387 WeakPolarHBondContact OG1-CA 3.19Å; T46-G387 PolarHBondContact OG1-O 3.22Å; R385-G387 PolarHBondContact O-N 3.42Å
388	H	93.1	Very high	94.6	Very high	9 Å²	9	12.3 Å²	12.3	4%	0.042	6%	0.056	C	C	.	.			trans	-65.2	161.7	174.7	-64.1	96.4	0	0	0	111.8	D41 R43 G384 R385 F386	D41-H388 IonicContact OD1-NE2 3.48Å; D41-H388 IonicContact OD2-CE1 2.85Å; D41-H388 PolarHBondContact OD2-CE1 3.1Å; D41-H388 IonicContact OD2-NE2 3.21Å; D41-H388 PolarHBondContact OD2-NE2 2.69Å; R43-H388 PolarHBondContact NE-CD2 3.21Å; R43-H388 VanDerWaalsContact NE-CD2 3.25Å; R43-H388 PolarHBondContact NE-NE2 3.24Å; R43-H388 PolarHBondContact NH2-CE1 3.17Å; R43-H388 PolarHBondContact NH2-NE2 3.09Å; R43-H388 VanDerWaalsContact NH2-NE2 3.12Å; G384-H388 CarbonylContact C-O 3.59Å; G384-H388 VanDerWaalsContact C-O 3.29Å; G384-H388 WeakPolarHBondContact CA-O 3.03Å; R385-H388 WeakPolarHBondContact O-CB 3.33Å; R385-H388 PolarHBondContact O-N 3.46Å; R385-H388 PolarHBondContact O-ND1 3.12Å; F386-H388 VanDerWaalsContact C-N 3.28Å; F386-H388 PolarHBondContact O-N 3.47Å
389	L	95.1	Very high	94.7	Very high	33 Å²	33	18.7 Å²	18.7	17%	0.173	9%	0.086	C	C	.	.			trans	-91.5	144.7	174.4	-42.9	177.9	0	0	0	111.3	L44 T46 G266 K425 L426 Q432	L44-L389 HydrophobicContact CD2-CD1 3.88Å; L44-L389 HydrophobicContact CD2-CD2 4.3Å; L44-L389 HydrophobicContact CD2-CG 4.22Å; T46-L389 HydrophobicContact CG2-CD2 3.67Å; G266-L389 CarbonylContact O-C 3.59Å; G266-L389 VanDerWaalsContact O-CA 3.22Å; G266-L389 WeakPolarHBondContact O-CA 3.37Å; L389-K425 WeakPolarHBondContact CD1-O 3.21Å; L389-L426 CarbonylContact C-O 3.56Å; L389-L426 VanDerWaalsContact C-O 3.29Å; L389-L426 VanDerWaalsContact CB-O 3.22Å; L389-L426 WeakPolarHBondContact CB-O 3.33Å; L389-Q432 HydrophobicContact CD1-CG 4.42Å
390	G	96.2	Very high	94.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	173.1	173.4	0	0	0	0	0	111.5	G266 V267 T268 N362 S383 L426	G266-G390 PolarHBondContact O-N 3.46Å; V267-G390 CarbonylContact C-O 3.58Å; V267-G390 WeakPolarHBondContact CA-O 3.15Å; T268-G390 PolarHBondContact N-O 2.72Å; N362-G390 WeakPolarHBondContact O-CA 3.49Å; S383-G390 WeakPolarHBondContact OG-CA 3.34Å; G390-L426 CarbonylContact C-O 3.4Å; G390-L426 VanDerWaalsContact CA-O 3.31Å; G390-L426 WeakPolarHBondContact CA-O 3.43Å; G390-L426 PolarHBondContact N-O 2.93Å
391	I	97.6	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.1	178.7	60.1	177.8	0	0	0	112.4	T268 Y270 L290 N362 V363 V364 I393 V422 L426 Y427	T268-I391 CarbonylContact O-C 3.47Å; T268-I391 WeakPolarHBondContact O-CA 3.36Å; Y270-I391 HydrophobicContact CE2-CG2 4.26Å; L290-I391 HydrophobicContact CD1-CD1 4.11Å; L290-I391 HydrophobicContact CD2-CD1 4.14Å; N362-I391 PolarHBondContact O-N 3.07Å; V363-I391 WeakPolarHBondContact CA-O 3.36Å; V363-I391 HydrophobicContact CB-CG1 4.3Å; V363-I391 HydrophobicContact CG1-CD1 4.43Å; V363-I391 HydrophobicContact CG1-CG1 4.15Å; V363-I391 HydrophobicContact CG2-CD1 3.98Å; V363-I391 HydrophobicContact CG2-CG1 3.75Å; V364-I391 PolarHBondContact N-O 2.86Å; I391-I393 HydrophobicContact CD1-CD1 4.08Å; I391-I393 HydrophobicContact CD1-CG1 4.49Å; I391-V422 HydrophobicContact CD1-CG1 4.15Å; I391-V422 HydrophobicContact CG2-CG1 4.35Å; I391-L426 HydrophobicContact CG2-CB 4.1Å; I391-Y427 HydrophobicContact CD1-CD1 3.91Å; I391-Y427 HydrophobicContact CD1-CD2 4.09Å; I391-Y427 HydrophobicContact CD1-CE1 4.17Å; I391-Y427 HydrophobicContact CD1-CE2 4.35Å; I391-Y427 HydrophobicContact CD1-CG 3.9Å; I391-Y427 HydrophobicContact CG1-CD1 4.37Å; I391-Y427 HydrophobicContact CG1-CD2 4.34Å; I391-Y427 HydrophobicContact CG1-CG 4.01Å; I391-Y427 HydrophobicContact CG2-CD1 4.1Å; I391-Y427 HydrophobicContact CG2-CG 4.29Å
392	A	97.9	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.9	169.5	0	0	0	0	0	109.6	V267 T268 Y270 V364 I380	V267-A392 HydrophobicContact CG1-CB 3.87Å; T268-A392 PolarHBondContact O-N 3.03Å; Y270-A392 PolarHBondContact N-O 3.43Å; V364-A392 HydrophobicContact CB-CB 4.39Å; V364-A392 CarbonylContact O-C 3.57Å; V364-A392 WeakPolarHBondContact O-CA 3.31Å; I380-A392 HydrophobicContact CB-CB 3.81Å; I380-A392 HydrophobicContact CG2-CB 3.53Å
393	I	98.4	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.8	-178.3	-58	172.3	0	0	0	109.5	Y270 L286 L290 V363 V364 V365 N366 I391 I418	Y270-I393 CarbonylContact O-C 3.6Å; Y270-I393 WeakPolarHBondContact O-CA 3.26Å; L286-I393 HydrophobicContact CD1-CB 4.48Å; L286-I393 HydrophobicContact CD1-CD1 4.15Å; L286-I393 HydrophobicContact CD1-CG2 3.84Å; L286-I393 HydrophobicContact CD2-CD1 4Å; L290-I393 HydrophobicContact CD1-CD1 3.37Å; V363-I393 HydrophobicContact CG1-CD1 4.47Å; V364-I393 PolarHBondContact O-N 3.21Å; V365-I393 CarbonylContact C-O 3.29Å; V365-I393 WeakPolarHBondContact CA-O 3.26Å; N366-I393 PolarHBondContact N-O 2.86Å; I391-I393 HydrophobicContact CD1-CD1 4.08Å; I391-I393 HydrophobicContact CD1-CG1 4.49Å; I393-I418 HydrophobicContact CD1-CD1 3.94Å; I393-I418 HydrophobicContact CG1-CD1 4.3Å; I393-I418 HydrophobicContact CG2-CD1 4.11Å
394	N	98.6	Very high	95.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.2	-175.7	-62.3	-71.6	0	0	0	110.7	Y270 Y271 A272 N366 F369 Y376 V396	Y270-N394 WeakPolarHBondContact O-CB 3.4Å; Y270-N394 PolarHBondContact O-N 3.26Å; Y270-N394 PolarHBondContact O-ND2 3.28Å; Y271-N394 CarbonylContact C-O 3.48Å; Y271-N394 WeakPolarHBondContact CA-O 3.17Å; A272-N394 PolarHBondContact N-O 2.85Å; N366-N394 WeakPolarHBondContact CB-OD1 3.32Å; N366-N394 PolarHBondContact ND2-OD1 2.91Å; F369-N394 HydrophobicContact CD2-CB 3.9Å; F369-N394 HydrophobicContact CE2-CB 3.9Å; Y376-N394 VanDerWaalsContact CE2-OD1 3.29Å; Y376-N394 WeakPolarHBondContact CE2-OD1 3.44Å; Y376-N394 PolarHBondContact OH-ND2 3.07Å; N394-V396 HydrophobicContact CB-CG2 4.15Å; N394-V396 PolarHBondContact O-N 3.01Å
395	M	98.5	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	109	170.5	-67.7	-175.4	-175.5	0	0	109.1	V274 K279 C282 L283 L286 V365 N366 F367	V274-M395 HydrophobicContact CG2-CB 3.89Å; V274-M395 HydrophobicContact CG2-CG 4.3Å; K279-M395 HydrophobicContact CB-SD 3.98Å; K279-M395 HydrophobicContact CG-CB 4.46Å; K279-M395 HydrophobicContact CG-SD 4.08Å; C282-M395 HydrophobicContact CB-CE 4.06Å; L283-M395 HydrophobicContact CB-CE 3.85Å; L283-M395 HydrophobicContact CD1-CE 4.05Å; L286-M395 HydrophobicContact CD1-CE 3.78Å; V365-M395 HydrophobicContact CG1-CE 4.02Å; N366-M395 PolarHBondContact O-N 2.99Å; F367-M395 HydrophobicContact CD2-CE 4.28Å; F367-M395 HydrophobicContact CD2-SD 3.59Å; F367-M395 VanDerWaalsContact CD2-SD 3.59Å; F367-M395 HydrophobicContact CE2-SD 4.03Å; F367-M395 HydrophobicContact CG-SD 4.3Å
396	V	98.2	Very high	96.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126	-173.2	176.2	0	0	0	0	108.8	A272 Y273 V274 F369 N394 D400 L404	A272-V396 PolarHBondContact O-N 3.44Å; Y273-V396 CarbonylContact C-O 3.59Å; Y273-V396 WeakPolarHBondContact CA-O 3.39Å; Y273-V396 HydrophobicContact CD2-CG1 4.36Å; V274-V396 PolarHBondContact N-O 3.41Å; F369-V396 HydrophobicContact CD2-CG2 3.82Å; F369-V396 HydrophobicContact CE2-CG2 4.12Å; F369-V396 HydrophobicContact CG-CG2 4.28Å; N394-V396 HydrophobicContact CB-CG2 4.15Å; N394-V396 PolarHBondContact O-N 3.01Å; V396-D400 HydrophobicContact CG1-CB 3.81Å; V396-L404 HydrophobicContact CG1-CD2 4.14Å; V396-L404 HydrophobicContact CG2-CD2 4.42Å
397	T	97.9	Very high	96.6	Very high	20 Å²	20	36.2 Å²	36.2	12%	0.123	17%	0.172	C	C	.	.			trans	-95.2	174	171.8	70.8	0	0	0	0	110.9	V274 E399 D400	V274-T397 WeakPolarHBondContact O-CA 3.46Å; V274-T397 WeakPolarHBondContact O-CG2 3.49Å; T397-E399 PolarHBondContact O-N 2.91Å; T397-E399 PolarHBondContact OG1-N 3.35Å; T397-D400 WeakPolarHBondContact CB-OD2 3.3Å; T397-D400 PolarHBondContact N-OD2 2.87Å; T397-D400 PolarHBondContact O-N 2.95Å; T397-D400 VanDerWaalsContact O-N 3.11Å; T397-D400 PolarHBondContact OG1-OD2 3.01Å
398	Y	96.6	Very high	96.8	Very high	132 Å²	132	38.5 Å²	38.5	52%	0.518	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-55.7	-39.1	174.1	-176	-107.3	0	0	0	112.4	Y273 D400 R401	Y273-Y398 VanDerWaalsContact OH-CA 3.3Å; Y273-Y398 WeakPolarHBondContact OH-CA 3.4Å; Y273-Y398 VanDerWaalsContact OH-CB 3.24Å; Y273-Y398 WeakPolarHBondContact OH-CB 3.47Å; Y273-Y398 WeakPolarHBondContact OH-CD2 3.39Å; Y398-D400 PolarHBondContact O-N 3.11Å; Y398-R401 VanDerWaalsContact CE1-NH1 3.28Å; Y398-R401 WeakPolarHBondContact O-CB 3.18Å; Y398-R401 WeakPolarHBondContact O-CD 3.43Å; Y398-R401 WeakPolarHBondContact O-CG 3.43Å; Y398-R401 PolarHBondContact O-N 3Å; Y398-R401 PolarHBondContact O-NH1 3.09Å; Y398-R401 PolarHBondContact OH-NH2 3.36Å
399	E	95.5	Very high	96.8	Very high	134 Å²	134	45.7 Å²	45.7	63%	0.626	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-70.2	-24.2	-179	-58.9	-50.7	150.3	0	0	112.9	T397 R401	T397-E399 PolarHBondContact O-N 2.91Å; T397-E399 PolarHBondContact OG1-N 3.35Å; E399-R401 VanDerWaalsContact C-N 3.28Å; E399-R401 PolarHBondContact O-N 3.25Å; E399-R401 IonicContact OE2-NH1 3.77Å
400	D	97.6	Very high	96.7	Very high	29 Å²	29	48.7 Å²	48.7	16%	0.155	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-78.2	-12.1	-180	-60.2	-51.5	0	0	0	112.6	F369 V396 T397 Y398 H402 T403 L404	F369-D400 HydrophobicContact CB-CB 4.1Å; F369-D400 HydrophobicContact CD1-CB 4.06Å; F369-D400 HydrophobicContact CG-CB 4.3Å; V396-D400 HydrophobicContact CG1-CB 3.81Å; T397-D400 WeakPolarHBondContact CB-OD2 3.3Å; T397-D400 PolarHBondContact N-OD2 2.87Å; T397-D400 PolarHBondContact O-N 2.95Å; T397-D400 VanDerWaalsContact O-N 3.11Å; T397-D400 PolarHBondContact OG1-OD2 3.01Å; Y398-D400 PolarHBondContact O-N 3.11Å; D400-H402 VanDerWaalsContact C-N 3.32Å; D400-H402 PolarHBondContact O-N 2.86Å; D400-T403 CarbonylContact O-C 3.52Å; D400-T403 WeakPolarHBondContact O-CA 3.19Å; D400-T403 WeakPolarHBondContact O-CB 3.26Å; D400-T403 PolarHBondContact O-N 3.35Å; D400-L404 PolarHBondContact O-N 3.16Å
401	R	95.4	Very high	96.4	Very high	80 Å²	80	49.1 Å²	49.1	30%	0.302	23%	0.232	S	C	.	.	H	α-helix	trans	-54.4	-40.8	-172.4	73.6	-165.8	179	-73.1	3.7	114.5	Y398 E399 A405	Y398-R401 VanDerWaalsContact CE1-NH1 3.28Å; Y398-R401 WeakPolarHBondContact O-CB 3.18Å; Y398-R401 WeakPolarHBondContact O-CD 3.43Å; Y398-R401 WeakPolarHBondContact O-CG 3.43Å; Y398-R401 PolarHBondContact O-N 3Å; Y398-R401 PolarHBondContact O-NH1 3.09Å; Y398-R401 PolarHBondContact OH-NH2 3.36Å; E399-R401 VanDerWaalsContact C-N 3.28Å; E399-R401 PolarHBondContact O-N 3.25Å; E399-R401 IonicContact OE2-NH1 3.77Å; R401-A405 PolarHBondContact O-N 3.3Å; R401-A405 VanDerWaalsContact O-N 3.12Å
402	H	96.4	Very high	96.1	Very high	124 Å²	124	54.6 Å²	54.6	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-74.3	-36	179.2	-64.4	-55.7	0	0	0	111.5	D400 R406	D400-H402 VanDerWaalsContact C-N 3.32Å; D400-H402 PolarHBondContact O-N 2.86Å; H402-R406 WeakPolarHBondContact O-CB 3.46Å; H402-R406 PolarHBondContact O-N 3.06Å
403	T	97	Very high	95.8	Very high	33 Å²	33	55.6 Å²	55.6	20%	0.202	28%	0.276	C	S	.	.	H	α-helix	trans	-68.8	-38.9	175.7	-54.6	0	0	0	0	110.7	F369 P370 D400 R406 I407	F369-T403 HydrophobicContact CD1-CG2 4.07Å; F369-T403 HydrophobicContact CE1-CG2 3.98Å; P370-T403 VanDerWaalsContact O-CG2 3.31Å; P370-T403 WeakPolarHBondContact O-CG2 3.44Å; D400-T403 CarbonylContact O-C 3.52Å; D400-T403 WeakPolarHBondContact O-CA 3.19Å; D400-T403 WeakPolarHBondContact O-CB 3.26Å; D400-T403 PolarHBondContact O-N 3.35Å; T403-R406 PolarHBondContact O-N 3.05Å; T403-I407 HydrophobicContact CG2-CD1 3.9Å; T403-I407 HydrophobicContact CG2-CG1 4.43Å; T403-I407 WeakPolarHBondContact O-CB 3.42Å; T403-I407 VanDerWaalsContact O-CG1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.31Å; T403-I407 PolarHBondContact O-N 3.01Å
404	L	97.2	Very high	95.5	Very high	18 Å²	18	59.9 Å²	59.9	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-55.3	174.6	175.8	64.6	0	0	0	110.8	F369 V396 D400 R406 I407 E408 I415	F369-L404 HydrophobicContact CE1-CB 3.94Å; F369-L404 HydrophobicContact CE1-CD1 4.33Å; F369-L404 HydrophobicContact CE2-CD1 4.03Å; F369-L404 HydrophobicContact CZ-CB 4.04Å; F369-L404 HydrophobicContact CZ-CD1 3.56Å; F369-L404 HydrophobicContact CZ-CG 4.43Å; V396-L404 HydrophobicContact CG1-CD2 4.14Å; V396-L404 HydrophobicContact CG2-CD2 4.42Å; D400-L404 PolarHBondContact O-N 3.16Å; L404-R406 VanDerWaalsContact C-N 3.28Å; L404-R406 PolarHBondContact O-N 2.89Å; L404-I407 PolarHBondContact O-N 2.81Å; L404-I407 VanDerWaalsContact O-N 3.09Å; L404-E408 HydrophobicContact CD1-CG 4.36Å; L404-E408 PolarHBondContact O-N 3.04Å; L404-I415 HydrophobicContact CD1-CB 4.32Å; L404-I415 HydrophobicContact CD1-CD1 3.62Å
405	A	96.6	Very high	95.4	Very high	53 Å²	53	60 Å²	60	44%	0.438	30%	0.302	S	S	.	.	H	α-helix	trans	-57.7	-41.5	179.4	0	0	0	0	0	112.2	R401 Q409	R401-A405 PolarHBondContact O-N 3.3Å; R401-A405 VanDerWaalsContact O-N 3.12Å; A405-Q409 WeakPolarHBondContact O-CB 3.45Å; A405-Q409 PolarHBondContact O-N 3.2Å
406	R	96.4	Very high	95.3	Very high	93 Å²	93	65 Å²	65	35%	0.351	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-42	176.2	-177.4	173.2	63.1	95.1	-2.4	112.4	R371 H402 T403 L404 Q409 E410	R371-R406 PolarHBondContact O-NH2 3.4Å; H402-R406 WeakPolarHBondContact O-CB 3.46Å; H402-R406 PolarHBondContact O-N 3.06Å; T403-R406 PolarHBondContact O-N 3.05Å; L404-R406 VanDerWaalsContact C-N 3.28Å; L404-R406 PolarHBondContact O-N 2.89Å; R406-Q409 PolarHBondContact O-N 2.81Å; R406-E410 VanDerWaalsContact CD-OE1 3.31Å; R406-E410 WeakPolarHBondContact CD-OE1 3.49Å; R406-E410 HydrophobicContact CG-CG 4.2Å; R406-E410 WeakPolarHBondContact CG-OE1 3.1Å; R406-E410 IonicContact CZ-OE1 3.09Å; R406-E410 IonicContact NE-OE1 2.84Å; R406-E410 IonicContact NH1-OE1 3.08Å; R406-E410 PolarHBondContact NH1-OE1 3.45Å; R406-E410 IonicContact NH1-OE2 3.96Å; R406-E410 WeakPolarHBondContact O-CB 3.44Å; R406-E410 WeakPolarHBondContact O-CG 3.39Å; R406-E410 PolarHBondContact O-N 3.4Å
407	I	96.3	Very high	95.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-43	178.8	-73.8	175.3	0	0	0	111.1	F369 P370 A373 Y376 T403 L404 Q409 E410 L411	F369-I407 HydrophobicContact CE1-CD1 3.69Å; F369-I407 HydrophobicContact CZ-CD1 3.92Å; P370-I407 HydrophobicContact CG-CD1 4.26Å; A373-I407 HydrophobicContact CB-CG1 4.22Å; Y376-I407 HydrophobicContact CD1-CG2 3.84Å; Y376-I407 HydrophobicContact CD2-CG2 4.18Å; Y376-I407 HydrophobicContact CE1-CG2 4.34Å; Y376-I407 HydrophobicContact CG-CG2 3.76Å; T403-I407 HydrophobicContact CG2-CD1 3.9Å; T403-I407 HydrophobicContact CG2-CG1 4.43Å; T403-I407 WeakPolarHBondContact O-CB 3.42Å; T403-I407 VanDerWaalsContact O-CG1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.31Å; T403-I407 PolarHBondContact O-N 3.01Å; L404-I407 PolarHBondContact O-N 2.81Å; L404-I407 VanDerWaalsContact O-N 3.09Å; I407-Q409 VanDerWaalsContact C-N 3.29Å; I407-Q409 PolarHBondContact O-N 2.92Å; I407-E410 PolarHBondContact O-N 3.04Å; I407-L411 HydrophobicContact CG2-CD1 3.79Å; I407-L411 HydrophobicContact CG2-CG 4.39Å; I407-L411 WeakPolarHBondContact O-CB 3.31Å; I407-L411 WeakPolarHBondContact O-CG 3.41Å; I407-L411 PolarHBondContact O-N 2.66Å
408	E	95.5	Very high	95.2	Very high	49 Å²	49	69.9 Å²	69.9	23%	0.229	36%	0.355	C	S	.	.	H	α-helix	trans	-58.2	-43.6	174.7	-73.5	-174.2	130.6	0	0	111.4	L404 S412 T413 I415	L404-E408 HydrophobicContact CD1-CG 4.36Å; L404-E408 PolarHBondContact O-N 3.04Å; E408-S412 WeakPolarHBondContact O-CA 3.32Å; E408-S412 PolarHBondContact O-N 3.29Å; E408-T413 WeakPolarHBondContact CA-O 3.22Å; E408-T413 VanDerWaalsContact CB-O 3.22Å; E408-T413 WeakPolarHBondContact CB-O 3.44Å; E408-T413 WeakPolarHBondContact CG-O 3.49Å; E408-T413 PolarHBondContact O-N 3.4Å; E408-I415 HydrophobicContact CG-CD1 4.07Å; E408-I415 HydrophobicContact CG-CG1 4.15Å; E408-I415 PolarHBondContact OE1-N 2.91Å
409	Q	94.5	Very high	95.2	Very high	160 Å²	160	66.2 Å²	66.2	75%	0.748	35%	0.347	S	S	*	.	H	α-helix	trans	-66.7	-48.8	176.6	-174.8	-175.9	-10.6	0	0	112.7	A405 R406 I407 L411 S412	A405-Q409 WeakPolarHBondContact O-CB 3.45Å; A405-Q409 PolarHBondContact O-N 3.2Å; R406-Q409 PolarHBondContact O-N 2.81Å; I407-Q409 VanDerWaalsContact C-N 3.29Å; I407-Q409 PolarHBondContact O-N 2.92Å; Q409-L411 VanDerWaalsContact C-N 3.27Å; Q409-L411 PolarHBondContact O-N 3.26Å; Q409-S412 PolarHBondContact O-N 3.15Å
410	E	92.3	Very high	95.1	Very high	95 Å²	95	68.4 Å²	68.4	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-30.9	-178.4	-77.2	176	-165.2	0	0	112.2	A373 R406 I407	A373-E410 HydrophobicContact CB-CB 3.81Å; A373-E410 WeakPolarHBondContact CB-OE2 3.38Å; R406-E410 VanDerWaalsContact CD-OE1 3.31Å; R406-E410 WeakPolarHBondContact CD-OE1 3.49Å; R406-E410 HydrophobicContact CG-CG 4.2Å; R406-E410 WeakPolarHBondContact CG-OE1 3.1Å; R406-E410 IonicContact CZ-OE1 3.09Å; R406-E410 IonicContact NE-OE1 2.84Å; R406-E410 IonicContact NH1-OE1 3.08Å; R406-E410 PolarHBondContact NH1-OE1 3.45Å; R406-E410 IonicContact NH1-OE2 3.96Å; R406-E410 WeakPolarHBondContact O-CB 3.44Å; R406-E410 WeakPolarHBondContact O-CG 3.39Å; R406-E410 PolarHBondContact O-N 3.4Å; I407-E410 PolarHBondContact O-N 3.04Å
411	L	90.9	Very high	94.9	Very high	10 Å²	10	73.5 Å²	73.5	5%	0.052	38%	0.382	C	S	.	.	H	α-helix	trans	-98.8	-2.2	-179.1	-61.5	-178.4	0	0	0	114.1	L262 A373 Y376 I407 Q409 T413	L262-L411 HydrophobicContact CB-CD2 4.17Å; L262-L411 HydrophobicContact CD1-CD2 3.59Å; A373-L411 HydrophobicContact CB-CD1 4.19Å; A373-L411 HydrophobicContact CB-CD2 3.84Å; A373-L411 HydrophobicContact CB-CG 3.79Å; Y376-L411 HydrophobicContact CD1-CD1 3.4Å; Y376-L411 HydrophobicContact CE1-CD1 3.94Å; Y376-L411 HydrophobicContact CG-CD1 4.37Å; I407-L411 HydrophobicContact CG2-CD1 3.79Å; I407-L411 HydrophobicContact CG2-CG 4.39Å; I407-L411 WeakPolarHBondContact O-CB 3.31Å; I407-L411 WeakPolarHBondContact O-CG 3.41Å; I407-L411 PolarHBondContact O-N 2.66Å; Q409-L411 VanDerWaalsContact C-N 3.27Å; Q409-L411 PolarHBondContact O-N 3.26Å; L411-T413 HydrophobicContact CB-CG2 3.83Å; L411-T413 PolarHBondContact O-N 2.9Å
412	S	90.6	Very high	94.9	Very high	115 Å²	115	70.6 Å²	70.6	80%	0.804	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	44.8	-172.2	-59.5	0	0	0	0	112.1	E408 Q409	E408-S412 WeakPolarHBondContact O-CA 3.32Å; E408-S412 PolarHBondContact O-N 3.29Å; Q409-S412 PolarHBondContact O-N 3.15Å
413	T	91.1	Very high	94.9	Very high	20 Å²	20	68.6 Å²	68.6	12%	0.123	37%	0.366	C	S	.	.			trans	-128.8	155.3	-175.9	-159.4	0	0	0	0	110.4	T263 Q269 E408 L411 I415	T263-T413 HydrophobicContact CG2-CG2 4.48Å; Q269-T413 PolarHBondContact NE2-OG1 3.18Å; Q269-T413 VanDerWaalsContact NE2-OG1 3.17Å; E408-T413 WeakPolarHBondContact CA-O 3.22Å; E408-T413 VanDerWaalsContact CB-O 3.22Å; E408-T413 WeakPolarHBondContact CB-O 3.44Å; E408-T413 WeakPolarHBondContact CG-O 3.49Å; E408-T413 PolarHBondContact O-N 3.4Å; L411-T413 HydrophobicContact CB-CG2 3.83Å; L411-T413 PolarHBondContact O-N 2.9Å; T413-I415 HydrophobicContact CG2-CG1 4.41Å
414	V	92	Very high	94.8	Very high	90 Å²	90	68.8 Å²	68.8	55%	0.545	37%	0.368	S	S	.	.			trans	-114.9	124.2	175.5	-177.9	0	0	0	0	108.3
415	I	96.3	Very high	94.7	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.01	39%	0.389	C	S	.	.			trans	-99.3	110.3	176.7	-56.1	166.6	0	0	0	106.4	Q269 Y271 Y376 L404 E408 T413	Q269-I415 HydrophobicContact CB-CG1 4.33Å; Q269-I415 HydrophobicContact CB-CG2 4.27Å; Y271-I415 HydrophobicContact CD1-CG2 4.1Å; Y271-I415 WeakPolarHBondContact CD1-O 3.47Å; Y271-I415 VanDerWaalsContact CE1-O 3.26Å; Y271-I415 WeakPolarHBondContact CE1-O 3.33Å; Y376-I415 HydrophobicContact CE1-CD1 4.23Å; Y376-I415 HydrophobicContact CE2-CD1 3.78Å; Y376-I415 VanDerWaalsContact CZ-CD1 3.5Å; Y376-I415 VanDerWaalsContact OH-CD1 3.24Å; Y376-I415 WeakPolarHBondContact OH-CD1 3.44Å; Y376-I415 WeakPolarHBondContact OH-CG1 3.34Å; L404-I415 HydrophobicContact CD1-CB 4.32Å; L404-I415 HydrophobicContact CD1-CD1 3.62Å; E408-I415 HydrophobicContact CG-CD1 4.07Å; E408-I415 HydrophobicContact CG-CG1 4.15Å; E408-I415 PolarHBondContact OE1-N 2.91Å; T413-I415 HydrophobicContact CG2-CG1 4.41Å
416	H	96.1	Very high	94.6	Very high	106 Å²	106	73.2 Å²	73.2	49%	0.491	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	152.2	-173.4	-66.7	-69.4	0	0	0	112.1	Q269 Y270 Y271 I418	Q269-H416 PolarHBondContact O-N 2.67Å; Y270-H416 CarbonylContact C-O 3.46Å; Y270-H416 WeakPolarHBondContact CA-O 3.45Å; Y270-H416 HydrophobicContact CD1-CB 4.2Å; Y270-H416 HydrophobicContact CE1-CB 4.42Å; Y271-H416 WeakPolarHBondContact CD1-O 3.42Å; Y271-H416 PolarHBondContact N-O 2.91Å; H416-I418 PolarHBondContact O-N 2.99Å
417	P	97.2	Very high	94.6	Very high	77 Å²	77	69 Å²	69	50%	0.5	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	137.7	167.6	-15.1	25.1	0	0	0	110.3	Y271 P419	Y271-P417 HydrophobicContact CE1-CB 4.21Å; Y271-P417 HydrophobicContact CE1-CG 3.86Å; P417-P419 WeakPolarHBondContact O-CD 3.49Å
418	I	97.1	Very high	94.5	Very high	48 Å²	48	69.7 Å²	69.7	25%	0.246	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.7	125.5	177.8	-166.4	172.5	0	0	0	110	Y270 Y271 A272 L286 I393 H416 V422	Y270-I418 HydrophobicContact CD2-CG1 4.5Å; Y270-I418 HydrophobicContact CG-CB 4.38Å; Y270-I418 HydrophobicContact CG-CG1 4.26Å; Y271-I418 PolarHBondContact O-N 3.46Å; A272-I418 HydrophobicContact CB-CG2 3.94Å; L286-I418 HydrophobicContact CD2-CD1 3.69Å; I393-I418 HydrophobicContact CD1-CD1 3.94Å; I393-I418 HydrophobicContact CG1-CD1 4.3Å; I393-I418 HydrophobicContact CG2-CD1 4.11Å; H416-I418 PolarHBondContact O-N 2.99Å; I418-V422 HydrophobicContact CD1-CG2 4.33Å; I418-V422 HydrophobicContact CG1-CG2 4.07Å
419	P	96.3	Very high	94.2	Very high	55 Å²	55	68.9 Å²	68.9	36%	0.357	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-71.2	165.9	177.6	29.6	-35.8	0	0	0	111.4	Y270 P417 N421 V422	Y270-P419 HydrophobicContact CE1-CG 4.25Å; P417-P419 WeakPolarHBondContact O-CD 3.49Å; P419-N421 WeakPolarHBondContact CB-O 3.47Å; P419-N421 VanDerWaalsContact CG-O 3.27Å; P419-N421 WeakPolarHBondContact CG-O 3.35Å; P419-N421 PolarHBondContact O-N 3.04Å; P419-V422 HydrophobicContact CG-CG2 4.11Å
420	K	93.3	Very high	94	Very high	180 Å²	180	67.5 Å²	67.5	78%	0.783	37%	0.367	S	S	*	.	S	Bend	trans	-58.8	-35.5	176.7	-71.8	-176.7	180	177.2	0	112.7	K289	K289-K420 PolarHBondContact NZ-O 3.43Å; K289-K420 VanDerWaalsContact NZ-O 3.08Å
421	N	94.2	Very high	94	Very high	136 Å²	136	68 Å²	68	73%	0.727	37%	0.367	S	S	*	.	S	Bend	trans	-130.3	129.6	177.1	-59.3	-40.6	0	0	0	108.1	P419	P419-N421 WeakPolarHBondContact CB-O 3.47Å; P419-N421 VanDerWaalsContact CG-O 3.27Å; P419-N421 WeakPolarHBondContact CG-O 3.35Å; P419-N421 PolarHBondContact O-N 3.04Å
422	V	96	Very high	94	Very high	19 Å²	19	68.1 Å²	68.1	12%	0.115	37%	0.368	C	S	.	.			trans	-98.1	128.9	174.8	-179.8	0	0	0	0	107.8	Y270 L290 I391 I418 P419 P424 Y427	Y270-V422 HydrophobicContact CE2-CG1 3.86Å; Y270-V422 HydrophobicContact CE2-CG2 4.27Å; L290-V422 HydrophobicContact CD2-CB 3.9Å; L290-V422 HydrophobicContact CD2-CG1 4.49Å; L290-V422 HydrophobicContact CD2-CG2 3.99Å; I391-V422 HydrophobicContact CD1-CG1 4.15Å; I391-V422 HydrophobicContact CG2-CG1 4.35Å; I418-V422 HydrophobicContact CD1-CG2 4.33Å; I418-V422 HydrophobicContact CG1-CG2 4.07Å; P419-V422 HydrophobicContact CG-CG2 4.11Å; V422-P424 WeakPolarHBondContact O-CD 3.47Å; V422-Y427 HydrophobicContact CG1-CD1 4.27Å; V422-Y427 HydrophobicContact CG1-CE1 3.92Å
423	D	95.8	Very high	93.7	Very high	81 Å²	81	66.9 Å²	66.9	43%	0.433	35%	0.35	S	S	.	.			trans	-62	120.4	179.4	-175.4	-10.7	0	0	0	110.5	K425 L426 Y427	D423-K425 PolarHBondContact O-N 3.03Å; D423-K425 WeakPolarHBondContact OD1-CB 3.4Å; D423-K425 PolarHBondContact OD1-N 2.79Å; D423-L426 HydrophobicContact CB-CD1 4.13Å; D423-L426 HydrophobicContact CB-CG 4.17Å; D423-L426 WeakPolarHBondContact O-CB 3.47Å; D423-L426 PolarHBondContact O-N 3.23Å; D423-L426 VanDerWaalsContact O-N 3.11Å; D423-Y427 WeakPolarHBondContact O-CE1 3.34Å
424	P	95.4	Very high	92.7	Very high	37 Å²	37	68.5 Å²	68.5	24%	0.24	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-53.6	-30.2	175.5	-28.1	37.2	0	0	0	114.4	V422 L426 Y427 V428 F431	V422-P424 WeakPolarHBondContact O-CD 3.47Å; P424-L426 PolarHBondContact O-N 3.17Å; P424-L426 VanDerWaalsContact O-N 3.07Å; P424-Y427 PolarHBondContact O-N 3.18Å; P424-V428 HydrophobicContact CB-CB 4.27Å; P424-V428 HydrophobicContact CB-CG2 3.95Å; P424-V428 WeakPolarHBondContact O-CB 3.42Å; P424-V428 WeakPolarHBondContact O-CG2 3.49Å; P424-V428 PolarHBondContact O-N 3.18Å; P424-F431 HydrophobicContact CB-CD1 4.4Å; P424-F431 HydrophobicContact CB-CD2 3.78Å; P424-F431 HydrophobicContact CB-CE1 4.49Å; P424-F431 HydrophobicContact CB-CE2 3.86Å; P424-F431 HydrophobicContact CB-CG 4.04Å; P424-F431 HydrophobicContact CB-CZ 4.22Å
425	K	94.5	Very high	91.2	Very high	122 Å²	122	67.6 Å²	67.6	53%	0.53	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-56.2	-28.9	177.9	-70.6	-179.9	175.7	-172.4	0	112.7	L389 D423 Y427 F431 Q432	L389-K425 WeakPolarHBondContact CD1-O 3.21Å; D423-K425 PolarHBondContact O-N 3.03Å; D423-K425 WeakPolarHBondContact OD1-CB 3.4Å; D423-K425 PolarHBondContact OD1-N 2.79Å; K425-Y427 VanDerWaalsContact C-N 3.26Å; K425-Y427 PolarHBondContact O-N 3.11Å; K425-F431 HydrophobicContact CG-CB 3.94Å; K425-Q432 VanDerWaalsContact O-CG 3.24Å; K425-Q432 WeakPolarHBondContact O-CG 3.38Å; K425-Q432 PolarHBondContact O-NE2 3.27Å
426	L	95.1	Very high	89.3	Confident	43 Å²	43	73.3 Å²	73.3	23%	0.225	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-72.8	-13.1	-178.3	-59	174.4	0	0	0	113.9	T268 Y270 L389 G390 I391 D423 P424	T268-L426 HydrophobicContact CG2-CD1 4.29Å; Y270-L426 WeakPolarHBondContact OH-CD1 3.46Å; L389-L426 CarbonylContact C-O 3.56Å; L389-L426 VanDerWaalsContact C-O 3.29Å; L389-L426 VanDerWaalsContact CB-O 3.22Å; L389-L426 WeakPolarHBondContact CB-O 3.33Å; G390-L426 CarbonylContact C-O 3.4Å; G390-L426 VanDerWaalsContact CA-O 3.31Å; G390-L426 WeakPolarHBondContact CA-O 3.43Å; G390-L426 PolarHBondContact N-O 2.93Å; I391-L426 HydrophobicContact CG2-CB 4.1Å; D423-L426 HydrophobicContact CB-CD1 4.13Å; D423-L426 HydrophobicContact CB-CG 4.17Å; D423-L426 WeakPolarHBondContact O-CB 3.47Å; D423-L426 PolarHBondContact O-N 3.23Å; D423-L426 VanDerWaalsContact O-N 3.11Å; P424-L426 PolarHBondContact O-N 3.17Å; P424-L426 VanDerWaalsContact O-N 3.07Å
427	Y	95.5	Very high	87.2	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.02	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-156.1	-7.2	-175.1	66.6	-72	0	0	0	116.3	L290 Q291 N362 V363 I391 V422 D423 P424 K425 Q432	L290-Y427 WeakPolarHBondContact CA-OH 3.3Å; L290-Y427 HydrophobicContact CB-CE2 4.26Å; Q291-Y427 HydrophobicContact CB-CE2 4.25Å; Q291-Y427 PolarHBondContact N-OH 3.09Å; Q291-Y427 WeakPolarHBondContact O-CE2 3.24Å; N362-Y427 WeakPolarHBondContact CB-O 3.49Å; N362-Y427 WeakPolarHBondContact ND2-CD2 3.43Å; N362-Y427 PolarHBondContact ND2-O 3.3Å; V363-Y427 HydrophobicContact CG2-CD2 3.76Å; V363-Y427 HydrophobicContact CG2-CE2 4.22Å; I391-Y427 HydrophobicContact CD1-CD1 3.91Å; I391-Y427 HydrophobicContact CD1-CD2 4.09Å; I391-Y427 HydrophobicContact CD1-CE1 4.17Å; I391-Y427 HydrophobicContact CD1-CE2 4.35Å; I391-Y427 HydrophobicContact CD1-CG 3.9Å; I391-Y427 HydrophobicContact CG1-CD1 4.37Å; I391-Y427 HydrophobicContact CG1-CD2 4.34Å; I391-Y427 HydrophobicContact CG1-CG 4.01Å; I391-Y427 HydrophobicContact CG2-CD1 4.1Å; I391-Y427 HydrophobicContact CG2-CG 4.29Å; V422-Y427 HydrophobicContact CG1-CD1 4.27Å; V422-Y427 HydrophobicContact CG1-CE1 3.92Å; D423-Y427 WeakPolarHBondContact O-CE1 3.34Å; P424-Y427 PolarHBondContact O-N 3.18Å; K425-Y427 VanDerWaalsContact C-N 3.26Å; K425-Y427 PolarHBondContact O-N 3.11Å; Y427-Q432 VanDerWaalsContact C-NE2 3.33Å; Y427-Q432 VanDerWaalsContact CA-NE2 3.34Å
428	V	94.6	Very high	85	Confident	13 Å²	13	72.9 Å²	72.9	8%	0.079	39%	0.385	C	S	.	.			trans	-104.3	118.2	-177.6	-174.5	0	0	0	0	109.2	Q291 P424 D430 F431 Q432	Q291-V428 HydrophobicContact CB-CG2 3.66Å; P424-V428 HydrophobicContact CB-CB 4.27Å; P424-V428 HydrophobicContact CB-CG2 3.95Å; P424-V428 WeakPolarHBondContact O-CB 3.42Å; P424-V428 WeakPolarHBondContact O-CG2 3.49Å; P424-V428 PolarHBondContact O-N 3.18Å; V428-D430 VanDerWaalsContact C-N 3.3Å; V428-D430 PolarHBondContact O-N 3.07Å; V428-F431 HydrophobicContact CB-CD2 3.69Å; V428-F431 HydrophobicContact CB-CE2 4.33Å; V428-F431 HydrophobicContact CG1-CD2 3.58Å; V428-F431 HydrophobicContact CG1-CE2 3.94Å; V428-F431 PolarHBondContact O-N 2.93Å; V428-Q432 WeakPolarHBondContact O-CG 3.27Å
429	A	90.3	Very high	82.5	Confident	33 Å²	33	74 Å²	74	27%	0.273	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-53.2	-42.1	-174	0	0	0	0	0	113.7	F431 Q432	A429-F431 PolarHBondContact O-N 3.42Å; A429-Q432 WeakPolarHBondContact O-CB 3.47Å; A429-Q432 PolarHBondContact O-N 3.3Å
430	D	90.1	Very high	80.3	Confident	131 Å²	131	76.4 Å²	76.4	70%	0.701	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-61.7	-26.7	-178.6	-60.9	-24.1	0	0	0	112.9	V428 Q432	V428-D430 VanDerWaalsContact C-N 3.3Å; V428-D430 PolarHBondContact O-N 3.07Å; D430-Q432 VanDerWaalsContact C-N 3.34Å
431	F	91.1	Very high	78.2	Confident	105 Å²	105	71.6 Å²	71.6	46%	0.461	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-90.7	0.7	177.6	-65.1	-91.7	0	0	0	113.1	P424 K425 V428 A429	P424-F431 HydrophobicContact CB-CD1 4.4Å; P424-F431 HydrophobicContact CB-CD2 3.78Å; P424-F431 HydrophobicContact CB-CE1 4.49Å; P424-F431 HydrophobicContact CB-CE2 3.86Å; P424-F431 HydrophobicContact CB-CG 4.04Å; P424-F431 HydrophobicContact CB-CZ 4.22Å; K425-F431 HydrophobicContact CG-CB 3.94Å; V428-F431 HydrophobicContact CB-CD2 3.69Å; V428-F431 HydrophobicContact CB-CE2 4.33Å; V428-F431 HydrophobicContact CG1-CD2 3.58Å; V428-F431 HydrophobicContact CG1-CE2 3.94Å; V428-F431 PolarHBondContact O-N 2.93Å; A429-F431 PolarHBondContact O-N 3.42Å
432	Q	90.2	Very high	75.8	Confident	13 Å²	13	73.6 Å²	73.6	6%	0.061	39%	0.391	C	S	.	.	S	Bend	trans	-112.9	3.6	-176.3	-64.4	167	0.8	0	0	112.8	R43 L44 L389 K425 Y427 V428 A429 D430 D434	R43-Q432 WeakPolarHBondContact CA-O 3.33Å; L44-Q432 PolarHBondContact N-O 2.97Å; L389-Q432 HydrophobicContact CD1-CG 4.42Å; K425-Q432 VanDerWaalsContact O-CG 3.24Å; K425-Q432 WeakPolarHBondContact O-CG 3.38Å; K425-Q432 PolarHBondContact O-NE2 3.27Å; Y427-Q432 VanDerWaalsContact C-NE2 3.33Å; Y427-Q432 VanDerWaalsContact CA-NE2 3.34Å; V428-Q432 WeakPolarHBondContact O-CG 3.27Å; A429-Q432 WeakPolarHBondContact O-CB 3.47Å; A429-Q432 PolarHBondContact O-N 3.3Å; D430-Q432 VanDerWaalsContact C-N 3.34Å; Q432-D434 PolarHBondContact O-N 3.21Å
433	M	86.3	Confident	73.4	Confident	88 Å²	88	81.4 Å²	81.4	43%	0.433	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-68.3	127.1	177.3	-61.7	-62.4	169.4	0	0	109.4	R42 R43 A435	R42-M433 HydrophobicContact CB-SD 4.47Å; R43-M433 HydrophobicContact CG-CE 3.85Å; R43-M433 HydrophobicContact CG-SD 3.96Å; M433-A435 PolarHBondContact O-N 3.4Å
434	D	69.9	Low	70.6	Confident	55 Å²	55	85.8 Å²	85.8	29%	0.294	44%	0.441	S	S	.	.			trans	-69	114.9	175.7	-165.7	-10.5	0	0	0	109.5	R42 Q432 D436 Q437	R42-D434 PolarHBondContact O-N 3.19Å; Q432-D434 PolarHBondContact O-N 3.21Å; D434-D436 VanDerWaalsContact C-N 3.26Å; D434-D436 PolarHBondContact O-N 3.21Å; D434-D436 PolarHBondContact OD1-N 3.33Å; D434-Q437 HydrophobicContact CB-CG 4.26Å
435	A	60.4	Low	67.8	Low	70 Å²	70	92.6 Å²	92.6	58%	0.579	48%	0.483	S	S	*	.	S	Bend	trans	-68.1	-30.1	-176.5	0	0	0	0	0	111.7	M433 I438	M433-A435 PolarHBondContact O-N 3.4Å; A435-I438 PolarHBondContact O-N 3.11Å
436	D	56	Low	66.5	Low	123 Å²	123	91.2 Å²	91.2	66%	0.658	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-34.6	-174.1	-68	-23.3	0	0	0	111.2	D434 I438 S439	D434-D436 VanDerWaalsContact C-N 3.26Å; D434-D436 PolarHBondContact O-N 3.21Å; D434-D436 PolarHBondContact OD1-N 3.33Å; D436-I438 PolarHBondContact O-N 3.31Å; D436-S439 PolarHBondContact O-N 3.22Å; D436-S439 PolarHBondContact O-OG 3.44Å
437	Q	52.5	Low	65	Low	70 Å²	70	93.7 Å²	93.7	33%	0.327	49%	0.494	S	S	.	.	H	α-helix	trans	-71.2	-10.6	177.1	-65	-167	14	0	0	114.7	R42 D434	R42-Q437 PolarHBondContact NH1-O 3.29Å; D434-Q437 HydrophobicContact CB-CG 4.26Å
438	I	50	Low	63.3	Low	104 Å²	104	98.6 Å²	98.6	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-74.3	-24.5	174.7	-57.5	175.1	0	0	0	110	A435 D436	A435-I438 PolarHBondContact O-N 3.11Å; D436-I438 PolarHBondContact O-N 3.31Å
439	S	45.8	Very low	61.4	Low	70 Å²	70	103.6 Å²	103.6	49%	0.49	55%	0.546	S	S	.	.	H	α-helix	trans	-84.2	-31	-172.6	73	0	0	0	0	114.2	D436 D441 K442	D436-S439 PolarHBondContact O-N 3.22Å; D436-S439 PolarHBondContact O-OG 3.44Å; S439-D441 PolarHBondContact O-N 3.48Å; S439-K442 PolarHBondContact O-N 3.14Å
440	D	49.5	Very low	59.6	Low	107 Å²	107	108.1 Å²	108.1	57%	0.572	56%	0.563	S	S	*	*	H	α-helix	trans	-69.5	-35.7	-172.2	-73.7	-30	0	0	0	112.9	K442 K443	D440-K442 VanDerWaalsContact C-N 3.32Å; D440-K442 PolarHBondContact O-N 3.08Å; D440-K443 PolarHBondContact O-N 3.25Å; D440-K443 VanDerWaalsContact O-N 3.14Å
441	D	48.1	Very low	57.6	Low	78 Å²	78	106.5 Å²	106.5	42%	0.417	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-72.6	-21	-179.4	-73.5	-23	0	0	0	113.9	R42 S439 K443 E444	R42-D441 IonicContact CZ-OD2 3.75Å; R42-D441 IonicContact NH1-OD2 3.5Å; R42-D441 IonicContact NH2-OD2 3.34Å; R42-D441 PolarHBondContact NH2-OD2 3.1Å; S439-D441 PolarHBondContact O-N 3.48Å; D441-K443 PolarHBondContact O-N 3.18Å; D441-K443 VanDerWaalsContact O-N 3.11Å; D441-E444 PolarHBondContact O-N 2.8Å
442	K	45.7	Very low	55.2	Low	179 Å²	179	106.6 Å²	106.6	78%	0.778	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-68.4	-6.6	173.4	-77.7	-167.8	179.3	-178.6	0	112.7	S439 D440	S439-K442 PolarHBondContact O-N 3.14Å; D440-K442 VanDerWaalsContact C-N 3.32Å; D440-K442 PolarHBondContact O-N 3.08Å
443	K	44	Very low	52.5	Low	183 Å²	183	113.8 Å²	113.8	80%	0.796	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-104.6	-9.9	174.5	-71.8	-176.8	178.1	174.6	0	114.2	D440 D441	D440-K443 PolarHBondContact O-N 3.25Å; D440-K443 VanDerWaalsContact O-N 3.14Å; D441-K443 PolarHBondContact O-N 3.18Å; D441-K443 VanDerWaalsContact O-N 3.11Å
444	E	37.2	Very low	49.7	Very low	172 Å²	172	116 Å²	116	80%	0.804	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	5.4	-177.9	-74.2	-166.8	164.1	0	0	115.2	D441	D441-E444 PolarHBondContact O-N 2.8Å
445	T	37.1	Very low	47.8	Very low	181 Å²	181	121.5 Å²	121.5	100%	1.11	64%	0.642	S	S	*	*			trans	-91	0	157.2	53.7	0	0	0	0	110.7

Retrieved 445 of 445 residues in 312.8 ms (Link to these results)

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