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T-complex protein 1 subunit beta

Component of the chaperonin-containing T-complex (TRiC), a molecular chaperone complex that assists the folding of actin, tubulin and other proteins upon ATP hydrolysis^1,2,3,4. The TRiC complex mediates the folding of WRAP53/TCAB1, thereby regulating telomere maintenance⁵. As part of the TRiC complex may play a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia⁶.

AlphaFold DB , UniProt , Accession P78371, Species HUMAN (Homo sapiens, Human), Gene CCT2, Length 535 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	42.3	Very low	59.9	Low	251 Å²	251	136.3 Å²	136.3	100%	1.236	81%	0.809	S	S	*	*				0	86.9	0	-80.2	-148.9	-80.6	0	0	110
2	A	45.7	Very low	62	Low	88 Å²	88	131.8 Å²	131.8	73%	0.727	77%	0.772	S	S	*	*			trans	-144.4	89.3	160.9	0	0	0	0	0	106.1	L4	A2-L4 PolarHBondContact O-N 2.83Å; A2-L4 VanDerWaalsContact O-N 3.16Å
3	S	49.1	Very low	63.4	Low	121 Å²	121	135.7 Å²	135.7	85%	0.846	77%	0.773	S	S	*	*			trans	-70.5	99.3	169.1	48.5	0	0	0	0	107.6	S5	S3-S5 PolarHBondContact O-N 3.13Å; S3-S5 VanDerWaalsContact O-N 3.12Å
4	L	51.6	Low	64.6	Low	162 Å²	162	133.4 Å²	133.4	85%	0.848	78%	0.779	S	S	*	*			trans	-62	110.6	164	-90.7	90.4	0	0	0	107.6	A2 L6	A2-L4 PolarHBondContact O-N 2.83Å; A2-L4 VanDerWaalsContact O-N 3.16Å; L4-L6 PolarHBondContact O-N 3.08Å
5	S	51.2	Low	65.7	Low	107 Å²	107	128.5 Å²	128.5	75%	0.748	77%	0.769	S	S	*	*			trans	-62.8	125.9	167.3	44.3	0	0	0	0	109.2	S3 A7	S3-S5 PolarHBondContact O-N 3.13Å; S3-S5 VanDerWaalsContact O-N 3.12Å; S5-A7 PolarHBondContact O-N 3.17Å
6	L	59.4	Low	67	Low	181 Å²	181	122.4 Å²	122.4	95%	0.948	74%	0.736	S	S	*	*			trans	-68.3	63.5	168.6	-79.5	144.4	0	0	0	110.2	L4	L4-L6 PolarHBondContact O-N 3.08Å
7	A	60	Low	68.2	Low	68 Å²	68	120.2 Å²	120.2	56%	0.562	72%	0.719	S	S	*	*			trans	-60.3	135.4	165	0	0	0	0	0	108.1	S5 V9	S5-A7 PolarHBondContact O-N 3.17Å; A7-V9 PolarHBondContact O-N 2.7Å
8	P	61.7	Low	69.5	Low	114 Å²	114	116.2 Å²	116.2	74%	0.74	69%	0.692	S	S	*	*			trans	-55.2	118.9	179.4	20.9	-30.7	0	0	0	109.1	N10	P8-N10 PolarHBondContact O-N 3.11Å
9	V	76.4	Confident	70.6	Confident	128 Å²	128	111.4 Å²	111.4	78%	0.776	66%	0.662	S	S	*	*			trans	-69.8	102.2	177.3	-179.1	0	0	0	0	106.9	A7 I11	A7-V9 PolarHBondContact O-N 2.7Å; V9-I11 PolarHBondContact O-N 3.34Å
10	N	77	Confident	71.6	Confident	145 Å²	145	113.2 Å²	113.2	78%	0.775	66%	0.656	S	S	*	*			trans	-66.1	106.3	171.5	-78.4	-12.6	0	0	0	108.7	P8	P8-N10 PolarHBondContact O-N 3.11Å
11	I	84.3	Confident	72.4	Confident	134 Å²	134	109.9 Å²	109.9	69%	0.687	64%	0.642	S	S	*	*			trans	-72.1	-36.6	179.6	-59.3	174.4	0	0	0	110.5	V9	V9-I11 PolarHBondContact O-N 3.34Å
12	F	84.8	Confident	74.5	Confident	83 Å²	83	105.2 Å²	105.2	36%	0.364	62%	0.618	S	S	.	*	S	Bend	trans	-93.4	154.9	-174.5	-55.9	-73.5	0	0	0	113.4	A16 E18 I521	F12-A16 HydrophobicContact CB-CB 3.82Å; F12-A16 HydrophobicContact CG-CB 4.49Å; F12-E18 HydrophobicContact CE2-CB 4.05Å; F12-E18 HydrophobicContact CE2-CG 4.36Å; F12-E18 VanDerWaalsContact CE2-OE2 3.28Å; F12-E18 WeakPolarHBondContact CE2-OE2 3.47Å; F12-I521 HydrophobicContact CE1-CG2 3.99Å; F12-I521 HydrophobicContact CZ-CD1 4.36Å; F12-I521 HydrophobicContact CZ-CG2 4.43Å
13	K	80.3	Confident	76.5	Confident	182 Å²	182	104.8 Å²	104.8	79%	0.791	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-65.3	150.1	172.4	-67.3	-177.9	-179.6	177.5	0	110.4	G15 A16	K13-G15 PolarHBondContact O-N 3.39Å; K13-A16 WeakPolarHBondContact O-CB 3.48Å; K13-A16 PolarHBondContact O-N 3.32Å
14	A	80.5	Confident	78.5	Confident	104 Å²	104	99 Å²	99	86%	0.86	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	127.4	174.3	0	0	0	0	0	111.3
15	G	81.8	Confident	80.3	Confident	60 Å²	60	93.4 Å²	93.4	62%	0.619	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-2.8	-177.1	0	0	0	0	0	115.2	K13 A524	K13-G15 PolarHBondContact O-N 3.39Å; G15-A524 WeakPolarHBondContact O-CA 3.45Å
16	A	86.5	Confident	82.1	Confident	30 Å²	30	92.6 Å²	92.6	25%	0.248	52%	0.52	C	S	.	.			trans	-81.7	148.9	163.8	0	0	0	0	0	110.1	F12 K13 K522	F12-A16 HydrophobicContact CB-CB 3.82Å; F12-A16 HydrophobicContact CG-CB 4.49Å; K13-A16 WeakPolarHBondContact O-CB 3.48Å; K13-A16 PolarHBondContact O-N 3.32Å; A16-K522 VanDerWaalsContact CA-O 3.22Å; A16-K522 WeakPolarHBondContact CA-O 3.24Å; A16-K522 WeakPolarHBondContact CB-O 3.41Å
17	D	87.6	Confident	83.7	Confident	85 Å²	85	85.5 Å²	85.5	46%	0.455	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145	-177.8	-165.5	10.7	0	0	0	109.9	K522	D17-K522 HydrophobicContact CB-CB 4.3Å; D17-K522 PolarHBondContact N-O 3.28Å; D17-K522 PolarHBondContact O-N 2.87Å
18	E	90.9	Very high	85.2	Confident	48 Å²	48	82.4 Å²	82.4	22%	0.224	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.2	179.6	-174.7	-173.8	-167.8	0	0	109.7	F12 R20 N519 I521	F12-E18 HydrophobicContact CE2-CB 4.05Å; F12-E18 HydrophobicContact CE2-CG 4.36Å; F12-E18 VanDerWaalsContact CE2-OE2 3.28Å; F12-E18 WeakPolarHBondContact CE2-OE2 3.47Å; E18-R20 HydrophobicContact CG-CG 3.92Å; E18-R20 IonicContact OE1-CZ 3.04Å; E18-R20 IonicContact OE1-NE 3.26Å; E18-R20 PolarHBondContact OE1-NE 3.48Å; E18-R20 IonicContact OE1-NH2 3.28Å; E18-R20 PolarHBondContact OE1-NH2 3.09Å; E18-R20 IonicContact OE2-CZ 3.33Å; E18-R20 VanDerWaalsContact OE2-CZ 3.25Å; E18-R20 IonicContact OE2-NE 3.25Å; E18-R20 PolarHBondContact OE2-NE 2.89Å; E18-R20 IonicContact OE2-NH2 2.72Å; E18-R20 PolarHBondContact OE2-NH2 3.38Å; E18-N519 VanDerWaalsContact CG-OD1 3.32Å; E18-N519 WeakPolarHBondContact CG-OD1 3.37Å; E18-N519 PolarHBondContact OE1-ND2 3.39Å; E18-I521 HydrophobicContact CG-CG1 4.19Å
19	E	90.3	Very high	86.7	Confident	25 Å²	25	77.2 Å²	77.2	12%	0.117	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.2	172.4	-58	173.9	-155.8	0	0	108.2	A24 T27 N519 I520 K522	E19-A24 HydrophobicContact CB-CB 4.33Å; E19-A24 WeakPolarHBondContact O-CB 3.42Å; E19-T27 WeakPolarHBondContact OE2-CB 3.48Å; E19-T27 VanDerWaalsContact OE2-CG2 3.27Å; E19-T27 WeakPolarHBondContact OE2-CG2 3.4Å; E19-T27 PolarHBondContact OE2-OG1 3.32Å; E19-N519 WeakPolarHBondContact O-CA 3.32Å; E19-N519 PolarHBondContact O-OD1 3.02Å; E19-I520 HydrophobicContact CB-CB 4.3Å; E19-I520 PolarHBondContact N-O 3.17Å; E19-I520 PolarHBondContact O-N 3.38Å; E19-K522 IonicContact OE1-NZ 3.04Å; E19-K522 PolarHBondContact OE1-NZ 3.48Å
20	R	90.5	Very high	87.5	Confident	147 Å²	147	75.6 Å²	75.6	56%	0.555	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	141.2	-175	-68.4	-171.6	177.3	167.6	9	113.2	E18 E22 T23	E18-R20 HydrophobicContact CG-CG 3.92Å; E18-R20 IonicContact OE1-CZ 3.04Å; E18-R20 IonicContact OE1-NE 3.26Å; E18-R20 PolarHBondContact OE1-NE 3.48Å; E18-R20 IonicContact OE1-NH2 3.28Å; E18-R20 PolarHBondContact OE1-NH2 3.09Å; E18-R20 IonicContact OE2-CZ 3.33Å; E18-R20 VanDerWaalsContact OE2-CZ 3.25Å; E18-R20 IonicContact OE2-NE 3.25Å; E18-R20 PolarHBondContact OE2-NE 2.89Å; E18-R20 IonicContact OE2-NH2 2.72Å; E18-R20 PolarHBondContact OE2-NH2 3.38Å; R20-E22 PolarHBondContact O-N 3.41Å; R20-T23 PolarHBondContact N-OG1 3.08Å; R20-T23 VanDerWaalsContact N-OG1 3.11Å; R20-T23 PolarHBondContact O-N 2.92Å; R20-T23 PolarHBondContact O-OG1 3.28Å
21	A	89.1	Confident	88.3	Confident	44 Å²	44	69 Å²	69	36%	0.364	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	-102	171	0	0	0	0	0	113.8	R25 D518	A21-R25 WeakPolarHBondContact O-CG 3.47Å; A21-R25 PolarHBondContact O-N 3.48Å; A21-D518 WeakPolarHBondContact CA-O 3.35Å; A21-D518 PolarHBondContact N-O 2.93Å
22	E	85	Confident	88.8	Confident	153 Å²	153	62.7 Å²	62.7	72%	0.715	34%	0.344	S	S	*	.	H	α-helix	trans	-66	-38.5	-176.1	-67	-177.9	172.7	0	0	112.1	R20 R25 L26	R20-E22 PolarHBondContact O-N 3.41Å; E22-R25 PolarHBondContact O-N 3.05Å; E22-L26 VanDerWaalsContact O-CB 3.3Å; E22-L26 WeakPolarHBondContact O-CB 3.46Å; E22-L26 PolarHBondContact O-N 3.4Å
23	T	89.4	Confident	89.3	Confident	79 Å²	79	59.5 Å²	59.5	49%	0.485	33%	0.331	S	S	.	.	H	α-helix	trans	-69.2	-44.5	179	58	0	0	0	0	111.2	R20 R25 L26 T27	R20-T23 PolarHBondContact N-OG1 3.08Å; R20-T23 VanDerWaalsContact N-OG1 3.11Å; R20-T23 PolarHBondContact O-N 2.92Å; R20-T23 PolarHBondContact O-OG1 3.28Å; T23-R25 VanDerWaalsContact C-N 3.33Å; T23-R25 PolarHBondContact O-N 3.28Å; T23-L26 PolarHBondContact O-N 2.96Å; T23-T27 WeakPolarHBondContact O-CB 3.41Å; T23-T27 PolarHBondContact O-N 3.29Å; T23-T27 PolarHBondContact O-OG1 3.16Å; T23-T27 VanDerWaalsContact O-OG1 3.07Å
24	A	90.9	Very high	90	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-43.9	174.7	0	0	0	0	0	112.8	E19 S28 I520	E19-A24 HydrophobicContact CB-CB 4.33Å; E19-A24 WeakPolarHBondContact O-CB 3.42Å; A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 2.62Å; A24-S28 PolarHBondContact O-OG 3.41Å; A24-I520 HydrophobicContact CB-CD1 4.2Å; A24-I520 HydrophobicContact CB-CG1 3.99Å
25	R	89.3	Confident	90.6	Very high	45 Å²	45	49 Å²	49	17%	0.17	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-46.5	177.7	-76.4	-172.7	-67.2	-90	2.8	111.6	A21 E22 T23 S28 F29	A21-R25 WeakPolarHBondContact O-CG 3.47Å; A21-R25 PolarHBondContact O-N 3.48Å; E22-R25 PolarHBondContact O-N 3.05Å; T23-R25 VanDerWaalsContact C-N 3.33Å; T23-R25 PolarHBondContact O-N 3.28Å; R25-S28 WeakPolarHBondContact O-CB 3.4Å; R25-S28 PolarHBondContact O-N 2.88Å; R25-S28 VanDerWaalsContact O-N 3.16Å; R25-F29 HydrophobicContact CB-CE2 4.04Å; R25-F29 HydrophobicContact CB-CZ 4.5Å; R25-F29 VanDerWaalsContact O-CD2 3.23Å; R25-F29 WeakPolarHBondContact O-CD2 3.31Å; R25-F29 VanDerWaalsContact O-CG 3.32Å; R25-F29 WeakPolarHBondContact O-CG 3.37Å; R25-F29 PolarHBondContact O-N 2.88Å
26	L	88.6	Confident	91.2	Very high	89 Å²	89	46.1 Å²	46.1	47%	0.466	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-46.4	178	-177	150.5	0	0	0	111.2	E22 T23 S28 F29 I30	E22-L26 VanDerWaalsContact O-CB 3.3Å; E22-L26 WeakPolarHBondContact O-CB 3.46Å; E22-L26 PolarHBondContact O-N 3.4Å; T23-L26 PolarHBondContact O-N 2.96Å; L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 3.24Å; L26-F29 PolarHBondContact O-N 3.04Å; L26-I30 HydrophobicContact CD2-CD1 3.36Å; L26-I30 HydrophobicContact CD2-CG1 4.24Å; L26-I30 HydrophobicContact CG-CD1 4.08Å; L26-I30 WeakPolarHBondContact O-CB 3.43Å; L26-I30 VanDerWaalsContact O-CG1 3.32Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 2.94Å
27	T	92	Very high	91.6	Very high	33 Å²	33	48 Å²	48	20%	0.202	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-41.8	174.5	-61.3	0	0	0	0	111.2	E19 T23 G31 N78 I520	E19-T27 WeakPolarHBondContact OE2-CB 3.48Å; E19-T27 VanDerWaalsContact OE2-CG2 3.27Å; E19-T27 WeakPolarHBondContact OE2-CG2 3.4Å; E19-T27 PolarHBondContact OE2-OG1 3.32Å; T23-T27 WeakPolarHBondContact O-CB 3.41Å; T23-T27 PolarHBondContact O-N 3.29Å; T23-T27 PolarHBondContact O-OG1 3.16Å; T23-T27 VanDerWaalsContact O-OG1 3.07Å; T27-G31 PolarHBondContact O-N 3.21Å; T27-N78 WeakPolarHBondContact CG2-ND2 3.33Å; T27-N78 PolarHBondContact O-ND2 3.48Å; T27-I520 HydrophobicContact CG2-CD1 4.26Å
28	S	92.9	Very high	92	Very high	3 Å²	3	47 Å²	47	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-45.9	179.2	-61.1	0	0	0	0	112.3	A24 R25 L26 G31 A32 A80	A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 2.62Å; A24-S28 PolarHBondContact O-OG 3.41Å; R25-S28 WeakPolarHBondContact O-CB 3.4Å; R25-S28 PolarHBondContact O-N 2.88Å; R25-S28 VanDerWaalsContact O-N 3.16Å; L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 3.24Å; S28-G31 PolarHBondContact O-N 3.39Å; S28-A32 WeakPolarHBondContact O-CB 3.48Å; S28-A32 PolarHBondContact O-N 2.92Å; S28-A80 VanDerWaalsContact O-CB 3.3Å; S28-A80 WeakPolarHBondContact O-CB 3.27Å
29	F	93.5	Very high	92.2	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.022	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-47.2	177.8	-62.1	-36.9	0	0	0	111.7	R25 L26 G31 A32 I33 L110 A113 E114 I117 L515	R25-F29 HydrophobicContact CB-CE2 4.04Å; R25-F29 HydrophobicContact CB-CZ 4.5Å; R25-F29 VanDerWaalsContact O-CD2 3.23Å; R25-F29 WeakPolarHBondContact O-CD2 3.31Å; R25-F29 VanDerWaalsContact O-CG 3.32Å; R25-F29 WeakPolarHBondContact O-CG 3.37Å; R25-F29 PolarHBondContact O-N 2.88Å; L26-F29 PolarHBondContact O-N 3.04Å; F29-G31 VanDerWaalsContact C-N 3.27Å; F29-G31 PolarHBondContact O-N 3.28Å; F29-A32 PolarHBondContact O-N 3.15Å; F29-I33 HydrophobicContact CB-CD1 4.23Å; F29-I33 WeakPolarHBondContact O-CB 3.39Å; F29-I33 WeakPolarHBondContact O-CD1 3.34Å; F29-I33 WeakPolarHBondContact O-CG1 3.49Å; F29-I33 PolarHBondContact O-N 3.15Å; F29-L110 HydrophobicContact CD1-CB 4.07Å; F29-L110 HydrophobicContact CD1-CD2 4.01Å; F29-L110 HydrophobicContact CE1-CD2 3.79Å; F29-A113 HydrophobicContact CE1-CB 4.38Å; F29-A113 HydrophobicContact CZ-CB 4.41Å; F29-E114 HydrophobicContact CD2-CB 3.89Å; F29-E114 HydrophobicContact CD2-CG 4.04Å; F29-E114 HydrophobicContact CE2-CB 4.28Å; F29-E114 HydrophobicContact CG-CB 4.33Å; F29-I117 HydrophobicContact CE2-CD1 3.54Å; F29-I117 HydrophobicContact CZ-CD1 3.36Å; F29-L515 HydrophobicContact CE1-CD1 4.36Å; F29-L515 HydrophobicContact CZ-CD1 4.05Å
30	I	93.4	Very high	92.4	Very high	94 Å²	94	45.2 Å²	45.2	48%	0.482	24%	0.238	S	C	.	.	H	α-helix	trans	-58.1	-43.3	177.3	-69.1	178.9	0	0	0	110.8	L26 A34	L26-I30 HydrophobicContact CD2-CD1 3.36Å; L26-I30 HydrophobicContact CD2-CG1 4.24Å; L26-I30 HydrophobicContact CG-CD1 4.08Å; L26-I30 WeakPolarHBondContact O-CB 3.43Å; L26-I30 VanDerWaalsContact O-CG1 3.32Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 2.94Å; I30-A34 WeakPolarHBondContact O-CB 3.48Å; I30-A34 PolarHBondContact O-N 3.1Å
31	G	93.2	Very high	92.5	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-50.4	177.7	0	0	0	0	0	112.8	T27 S28 F29 I35 N78	T27-G31 PolarHBondContact O-N 3.21Å; S28-G31 PolarHBondContact O-N 3.39Å; F29-G31 VanDerWaalsContact C-N 3.27Å; F29-G31 PolarHBondContact O-N 3.28Å; G31-I35 WeakPolarHBondContact O-CG1 3.41Å; G31-I35 PolarHBondContact O-N 3.29Å; G31-N78 WeakPolarHBondContact CA-ND2 3.43Å
32	A	94.3	Very high	92.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-44	-179.9	0	0	0	0	0	112.6	S28 F29 I35 G36 L84 L110 I514	S28-A32 WeakPolarHBondContact O-CB 3.48Å; S28-A32 PolarHBondContact O-N 2.92Å; F29-A32 PolarHBondContact O-N 3.15Å; A32-I35 PolarHBondContact O-N 3.46Å; A32-G36 PolarHBondContact O-N 3.44Å; A32-L84 HydrophobicContact CB-CD1 3.78Å; A32-L84 HydrophobicContact CB-CG 4.49Å; A32-L110 HydrophobicContact CB-CD1 3.35Å; A32-I514 HydrophobicContact CB-CD1 4.41Å
33	I	94.5	Very high	93.1	Very high	16 Å²	16	31.2 Å²	31.2	8%	0.082	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-45.4	177.9	-73.5	167.9	0	0	0	110.7	F29 I35 G36 D37 R111	F29-I33 HydrophobicContact CB-CD1 4.23Å; F29-I33 WeakPolarHBondContact O-CB 3.39Å; F29-I33 WeakPolarHBondContact O-CD1 3.34Å; F29-I33 WeakPolarHBondContact O-CG1 3.49Å; F29-I33 PolarHBondContact O-N 3.15Å; I33-I35 VanDerWaalsContact C-N 3.29Å; I33-I35 PolarHBondContact O-N 3.3Å; I33-G36 PolarHBondContact O-N 3.47Å; I33-D37 WeakPolarHBondContact CG2-OD2 3.39Å; I33-D37 WeakPolarHBondContact O-CB 3.43Å; I33-D37 PolarHBondContact O-N 2.83Å; I33-R111 HydrophobicContact CD1-CB 4.14Å; I33-R111 HydrophobicContact CD1-CG 4.33Å; I33-R111 HydrophobicContact CG1-CB 4.29Å
34	A	95.1	Very high	93.1	Very high	56 Å²	56	28 Å²	28	46%	0.463	16%	0.159	S	C	.	.	H	α-helix	trans	-61.3	-38.2	178.9	0	0	0	0	0	112.3	I30 L38	I30-A34 WeakPolarHBondContact O-CB 3.48Å; I30-A34 PolarHBondContact O-N 3.1Å; A34-L38 WeakPolarHBondContact O-CB 3.34Å; A34-L38 PolarHBondContact O-N 3.44Å
35	I	94.2	Very high	93	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.046	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-44.4	174.9	-72.4	-56	0	0	0	111.9	G31 A32 I33 L38 V39 L71 V76 A81 L84 T103	G31-I35 WeakPolarHBondContact O-CG1 3.41Å; G31-I35 PolarHBondContact O-N 3.29Å; A32-I35 PolarHBondContact O-N 3.46Å; I33-I35 VanDerWaalsContact C-N 3.29Å; I33-I35 PolarHBondContact O-N 3.3Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 PolarHBondContact O-N 3.26Å; I35-V39 PolarHBondContact O-N 3.4Å; I35-L71 HydrophobicContact CD1-CD2 4.2Å; I35-L71 HydrophobicContact CG2-CD1 4.41Å; I35-L71 HydrophobicContact CG2-CD2 3.55Å; I35-V76 HydrophobicContact CD1-CG2 3.91Å; I35-A81 HydrophobicContact CD1-CB 4.25Å; I35-A81 HydrophobicContact CG1-CB 3.47Å; I35-A81 VanDerWaalsContact CG1-CB 3.47Å; I35-L84 HydrophobicContact CB-CD1 4.37Å; I35-L84 HydrophobicContact CG2-CB 4.14Å; I35-L84 HydrophobicContact CG2-CD1 4.15Å; I35-T103 HydrophobicContact CG2-CG2 3.6Å
36	G	94.4	Very high	93	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-54.2	174.1	0	0	0	0	0	111.5	A32 I33 L38 V39 K40	A32-G36 PolarHBondContact O-N 3.44Å; I33-G36 PolarHBondContact O-N 3.47Å; G36-L38 PolarHBondContact O-N 3.41Å; G36-V39 WeakPolarHBondContact O-CG2 3.19Å; G36-V39 PolarHBondContact O-N 2.95Å; G36-V39 VanDerWaalsContact O-N 3.08Å; G36-K40 WeakPolarHBondContact O-CG 3.45Å; G36-K40 PolarHBondContact O-N 3.49Å
37	D	95.3	Very high	93.1	Very high	71 Å²	71	29.1 Å²	29.1	38%	0.38	17%	0.171	S	C	.	.	H	α-helix	trans	-59.4	-32.7	-179.7	-73.1	-21.6	0	0	0	112.6	I33 K40 R111	I33-D37 WeakPolarHBondContact CG2-OD2 3.39Å; I33-D37 WeakPolarHBondContact O-CB 3.43Å; I33-D37 PolarHBondContact O-N 2.83Å; D37-K40 WeakPolarHBondContact OD1-CD 3.39Å; D37-K40 WeakPolarHBondContact OD1-CE 3.36Å; D37-K40 IonicContact OD1-NZ 3.76Å; D37-K40 PolarHBondContact OD1-NZ 3.18Å; D37-R111 VanDerWaalsContact CG-NH2 3.3Å; D37-R111 IonicContact OD1-NH2 3.91Å; D37-R111 PolarHBondContact OD1-NH2 3.14Å; D37-R111 IonicContact OD2-NH2 3.47Å; D37-R111 PolarHBondContact OD2-NH2 3.46Å
38	L	94.9	Very high	93	Very high	64 Å²	64	33.9 Å²	33.9	34%	0.335	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-52.1	173.4	-177.6	63.6	0	0	0	111.1	A34 I35 G36 K50 I74	A34-L38 WeakPolarHBondContact O-CB 3.34Å; A34-L38 PolarHBondContact O-N 3.44Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 PolarHBondContact O-N 3.26Å; G36-L38 PolarHBondContact O-N 3.41Å; L38-K50 HydrophobicContact CD1-CD 4.45Å; L38-K50 WeakPolarHBondContact O-CE 3.31Å; L38-K50 PolarHBondContact O-NZ 2.79Å; L38-I74 HydrophobicContact CD2-CD1 3.21Å; L38-I74 HydrophobicContact CD2-CG1 4.44Å; L38-I74 HydrophobicContact CG-CD1 4.45Å
39	V	94.8	Very high	93	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-83.2	-12.2	-174.3	-60.1	0	0	0	0	114.1	I35 G36 S41 T42 I70 L71 T100 T103 V104	I35-V39 PolarHBondContact O-N 3.4Å; G36-V39 WeakPolarHBondContact O-CG2 3.19Å; G36-V39 PolarHBondContact O-N 2.95Å; G36-V39 VanDerWaalsContact O-N 3.08Å; V39-S41 PolarHBondContact O-N 3.34Å; V39-T42 PolarHBondContact O-N 3.22Å; V39-T42 PolarHBondContact O-OG1 3.33Å; V39-I70 HydrophobicContact CG1-CG2 4.15Å; V39-L71 HydrophobicContact CG1-CD1 4.32Å; V39-L71 HydrophobicContact CG1-CD2 3.82Å; V39-L71 HydrophobicContact CG1-CG 3.97Å; V39-T100 HydrophobicContact CB-CG2 4.19Å; V39-T100 HydrophobicContact CG2-CG2 4.14Å; V39-T100 WeakPolarHBondContact O-CG2 3.28Å; V39-T103 HydrophobicContact CG2-CG2 3.83Å; V39-V104 HydrophobicContact CG2-CG2 3.96Å
40	K	94.3	Very high	92.9	Very high	34 Å²	34	38.3 Å²	38.3	15%	0.148	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-48.7	-39.2	-179.8	-84.9	-177	-172.9	175.7	0	114.2	G36 D37 T42 L43 V104 E108 I449 N453	G36-K40 WeakPolarHBondContact O-CG 3.45Å; G36-K40 PolarHBondContact O-N 3.49Å; D37-K40 WeakPolarHBondContact OD1-CD 3.39Å; D37-K40 WeakPolarHBondContact OD1-CE 3.36Å; D37-K40 IonicContact OD1-NZ 3.76Å; D37-K40 PolarHBondContact OD1-NZ 3.18Å; K40-T42 PolarHBondContact O-N 2.88Å; K40-T42 VanDerWaalsContact O-N 3.15Å; K40-L43 PolarHBondContact O-N 3.24Å; K40-V104 HydrophobicContact CG-CG1 4.27Å; K40-V104 HydrophobicContact CG-CG2 4Å; K40-E108 WeakPolarHBondContact CE-OE1 3.34Å; K40-E108 IonicContact NZ-OE1 3.84Å; K40-E108 PolarHBondContact NZ-OE1 2.98Å; K40-I449 HydrophobicContact CB-CG2 4.12Å; K40-I449 HydrophobicContact CD-CD1 3.89Å; K40-I449 HydrophobicContact CD-CG1 4.24Å; K40-I449 HydrophobicContact CG-CD1 4.03Å; K40-I449 HydrophobicContact CG-CG2 4.18Å; K40-N453 PolarHBondContact O-ND2 3.09Å
41	S	94.4	Very high	92.9	Very high	36 Å²	36	39.7 Å²	39.7	25%	0.252	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.1	-16.1	-177.4	74	0	0	0	0	114.1	V39 G47 M48 K50	V39-S41 PolarHBondContact O-N 3.34Å; S41-G47 CarbonylContact O-C 3.57Å; S41-G47 WeakPolarHBondContact O-CA 3.39Å; S41-M48 PolarHBondContact O-N 3.07Å; S41-K50 PolarHBondContact OG-NZ 2.87Å
42	T	92.6	Very high	92.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-90.7	-9.7	-179.9	72.4	0	0	0	0	112.7	V39 K40 M48 K50 N65 I70 T100	V39-T42 PolarHBondContact O-N 3.22Å; V39-T42 PolarHBondContact O-OG1 3.33Å; K40-T42 PolarHBondContact O-N 2.88Å; K40-T42 VanDerWaalsContact O-N 3.15Å; T42-M48 WeakPolarHBondContact CG2-O 3.39Å; T42-K50 HydrophobicContact CG2-CG 4.33Å; T42-N65 VanDerWaalsContact CB-O 3.22Å; T42-N65 WeakPolarHBondContact CB-O 3.45Å; T42-N65 WeakPolarHBondContact CG2-O 3.38Å; T42-N65 PolarHBondContact O-OD1 3.12Å; T42-N65 PolarHBondContact OG1-O 2.96Å; T42-I70 HydrophobicContact CG2-CD1 3.63Å; T42-T100 WeakPolarHBondContact OG1-CG2 3.32Å; T42-T100 PolarHBondContact OG1-OG1 3.04Å; T42-T100 VanDerWaalsContact OG1-OG1 3.12Å
43	L	92.7	Very high	92.6	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.068	26%	0.255	C	S	.	.			trans	-78.1	131	-175.7	-171	66.9	0	0	0	112.3	K40 T100 S101 V104 L446 I449 I450 N453	K40-L43 PolarHBondContact O-N 3.24Å; L43-T100 HydrophobicContact CB-CG2 3.98Å; L43-T100 HydrophobicContact CD1-CG2 4.18Å; L43-S101 WeakPolarHBondContact CD1-OG 3.41Å; L43-V104 HydrophobicContact CD2-CG1 4.49Å; L43-L446 HydrophobicContact CD2-CD2 3.88Å; L43-I449 HydrophobicContact CB-CG2 4.29Å; L43-I449 HydrophobicContact CD2-CB 4.29Å; L43-I449 HydrophobicContact CD2-CG2 4.01Å; L43-I450 HydrophobicContact CD2-CG1 4.06Å; L43-I450 HydrophobicContact CG-CG1 3.95Å; L43-N453 PolarHBondContact O-ND2 3.17Å
44	G	90.1	Very high	92.2	Very high	13 Å²	13	48.4 Å²	48.4	13%	0.134	27%	0.27	C	S	.	.	S	Bend	trans	94.7	169	173	0	0	0	0	0	114.3	K46 G47 S169	G44-K46 PolarHBondContact O-N 3.16Å; G44-G47 PolarHBondContact O-N 3.44Å; G44-S169 WeakPolarHBondContact O-CB 3.3Å
45	P	88.3	Confident	91.5	Very high	57 Å²	57	51.6 Å²	51.6	37%	0.37	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.9	-170.9	27.7	-36	0	0	0	114.3	S168 M480	P45-S168 CarbonylContact C-O 3.58Å; P45-S168 VanDerWaalsContact CA-O 3.27Å; P45-S168 WeakPolarHBondContact CA-O 3.19Å; P45-M480 HydrophobicContact CG-CB 3.77Å; P45-M480 HydrophobicContact CG-CG 3.83Å
46	K	89.7	Confident	90.8	Very high	86 Å²	86	53.6 Å²	53.6	37%	0.374	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	21.7	172.5	-67.5	-177.2	177.8	170.4	0	111.7	G44 A454 Y456 M480	G44-K46 PolarHBondContact O-N 3.16Å; K46-A454 HydrophobicContact CB-CB 4.25Å; K46-A454 HydrophobicContact CD-CB 3.76Å; K46-A454 HydrophobicContact CG-CB 4.45Å; K46-Y456 PolarHBondContact NZ-OH 3.48Å; K46-M480 WeakPolarHBondContact CE-O 3.1Å; K46-M480 PolarHBondContact NZ-O 2.94Å
47	G	89.5	Confident	89.5	Confident	13 Å²	13	65.7 Å²	65.7	13%	0.134	36%	0.358	C	S	.	.			trans	-63	152	172.6	0	0	0	0	0	111.5	S41 G44	S41-G47 CarbonylContact O-C 3.57Å; S41-G47 WeakPolarHBondContact O-CA 3.39Å; G44-G47 PolarHBondContact O-N 3.44Å
48	M	91.7	Very high	88.3	Confident	134 Å²	134	69.2 Å²	69.2	66%	0.66	38%	0.377	S	S	*	.			trans	-110.5	138.8	-177.4	-65.4	-65.1	-63.8	0	0	110.9	S41 T42	S41-M48 PolarHBondContact O-N 3.07Å; T42-M48 WeakPolarHBondContact CG2-O 3.39Å
49	D	91.6	Very high	87.1	Confident	57 Å²	57	69.5 Å²	69.5	31%	0.305	39%	0.388	S	S	.	.			trans	-70.9	158.1	177.9	-57	-18.7	0	0	0	112.3	V63 N65	D49-V63 HydrophobicContact CB-CG1 3.76Å; D49-N65 WeakPolarHBondContact OD1-CB 3.5Å; D49-N65 PolarHBondContact OD1-ND2 3.32Å
50	K	92.4	Very high	86.5	Confident	43 Å²	43	72.8 Å²	72.8	19%	0.187	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.9	171.9	-62.8	-163	-170	-67.4	0	111.7	L38 S41 T42 V63 T64 I70	L38-K50 HydrophobicContact CD1-CD 4.45Å; L38-K50 WeakPolarHBondContact O-CE 3.31Å; L38-K50 PolarHBondContact O-NZ 2.79Å; S41-K50 PolarHBondContact OG-NZ 2.87Å; T42-K50 HydrophobicContact CG2-CG 4.33Å; K50-V63 WeakPolarHBondContact O-CA 3.49Å; K50-T64 PolarHBondContact N-O 3.36Å; K50-T64 PolarHBondContact O-N 2.99Å; K50-I70 HydrophobicContact CB-CD1 4.07Å; K50-I70 HydrophobicContact CB-CG1 4.32Å; K50-I70 HydrophobicContact CD-CD1 3.88Å; K50-I70 HydrophobicContact CD-CG1 4.39Å; K50-I70 HydrophobicContact CD-CG2 4.13Å; K50-I70 HydrophobicContact CG-CD1 3.95Å
51	I	92.4	Very high	86.2	Confident	123 Å²	123	75.2 Å²	75.2	63%	0.631	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	117.9	172	-55.8	173.5	0	0	0	108	L61 V63	I51-L61 HydrophobicContact CG2-CD1 3.92Å; I51-L61 HydrophobicContact CG2-CG 4.07Å; I51-V63 HydrophobicContact CG1-CG2 4.23Å
52	L	91.2	Very high	85.9	Confident	26 Å²	26	76 Å²	76	14%	0.136	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.6	176.2	-53.1	174.3	0	0	0	108.5	M62 T64 I70 N73	L52-M62 HydrophobicContact CB-CB 4.43Å; L52-M62 PolarHBondContact N-O 3.15Å; L52-M62 PolarHBondContact O-N 3.29Å; L52-T64 HydrophobicContact CD1-CG2 3.92Å; L52-I70 HydrophobicContact CD1-CG1 4.36Å; L52-I70 HydrophobicContact CD2-CG2 4.49Å; L52-N73 HydrophobicContact CD1-CB 4.04Å
53	L	90	Very high	85.8	Confident	122 Å²	122	77.9 Å²	77.9	64%	0.639	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.5	177.2	-178	67.7	0	0	0	109.1
54	S	86.9	Confident	85.7	Confident	59 Å²	59	77.3 Å²	77.3	41%	0.413	43%	0.434	S	S	.	.			trans	-77.3	136.6	174.2	-171.4	0	0	0	0	110.8	S60	S54-S60 WeakPolarHBondContact CB-OG 3.4Å; S54-S60 PolarHBondContact N-O 2.98Å
55	S	80.5	Confident	85.6	Confident	122 Å²	122	76.9 Å²	76.9	85%	0.853	43%	0.429	S	S	*	.			trans	-91.2	106.4	173.6	-65.7	0	0	0	0	109.4
56	G	78.5	Confident	85.6	Confident	52 Å²	52	74.5 Å²	74.5	54%	0.536	41%	0.413	S	S	.	.	S	Bend	trans	-174	177.3	-178.7	0	0	0	0	0	111.8	D58	G56-D58 PolarHBondContact O-N 3.21Å
57	R	66.9	Low	85.6	Confident	254 Å²	254	70.4 Å²	70.4	96%	0.958	40%	0.395	S	S	*	.	S	Bend	trans	-62.8	-29.8	174.3	-71.9	-174.2	179.4	-179	0.3	111.8
58	D	70.1	Confident	85.7	Confident	145 Å²	145	69.8 Å²	69.8	78%	0.775	39%	0.389	S	S	*	.	S	Bend	trans	-104.6	78.8	172.3	-56.3	-39.3	0	0	0	108.3	G56 S60	G56-D58 PolarHBondContact O-N 3.21Å; D58-S60 VanDerWaalsContact C-N 3.26Å; D58-S60 PolarHBondContact O-N 2.98Å
59	A	70.6	Confident	85.6	Confident	70 Å²	70	64 Å²	64	58%	0.579	36%	0.361	S	S	*	.			trans	-64.1	88.2	176.1	0	0	0	0	0	109.7
60	S	82.6	Confident	85.6	Confident	68 Å²	68	61.4 Å²	61.4	48%	0.476	35%	0.347	S	S	.	.			trans	-80.3	123.4	176	62	0	0	0	0	109.5	S54 D58	S54-S60 WeakPolarHBondContact CB-OG 3.4Å; S54-S60 PolarHBondContact N-O 2.98Å; D58-S60 VanDerWaalsContact C-N 3.26Å; D58-S60 PolarHBondContact O-N 2.98Å
61	L	87.7	Confident	85.7	Confident	85 Å²	85	59.4 Å²	59.4	45%	0.445	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.5	169.3	-179.2	139.7	0	0	0	108.7	I51 V63 Q381	I51-L61 HydrophobicContact CG2-CD1 3.92Å; I51-L61 HydrophobicContact CG2-CG 4.07Å; L61-V63 HydrophobicContact CD2-CG2 4.01Å; L61-Q381 HydrophobicContact CD2-CG 3.98Å
62	M	87	Confident	85.5	Confident	52 Å²	52	58.1 Å²	58.1	26%	0.256	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133	177.2	-174.9	179.6	-67.5	0	0	109	L52 T69 R388	L52-M62 HydrophobicContact CB-CB 4.43Å; L52-M62 PolarHBondContact N-O 3.15Å; L52-M62 PolarHBondContact O-N 3.29Å; M62-T69 HydrophobicContact SD-CG2 3.57Å; M62-T69 VanDerWaalsContact SD-CG2 3.57Å; M62-R388 PolarHBondContact SD-NH1 3.39Å; M62-R388 PolarHBondContact SD-NH2 3.36Å; M62-R388 VanDerWaalsContact SD-NH2 3.35Å
63	V	91	Very high	85.5	Confident	42 Å²	42	61.3 Å²	61.3	26%	0.255	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.4	171.3	-174.9	0	0	0	0	106.5	D49 K50 I51 L61	D49-V63 HydrophobicContact CB-CG1 3.76Å; K50-V63 WeakPolarHBondContact O-CA 3.49Å; I51-V63 HydrophobicContact CG1-CG2 4.23Å; L61-V63 HydrophobicContact CD2-CG2 4.01Å
64	T	90	Very high	85.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	147.6	-179.5	-162.5	0	0	0	0	114.2	K50 L52 D66 T69 I70 E385 R388	K50-T64 PolarHBondContact N-O 3.36Å; K50-T64 PolarHBondContact O-N 2.99Å; L52-T64 HydrophobicContact CD1-CG2 3.92Å; T64-D66 PolarHBondContact OG1-N 3.5Å; T64-T69 HydrophobicContact CG2-CG2 4.08Å; T64-I70 HydrophobicContact CG2-CD1 4.36Å; T64-I70 HydrophobicContact CG2-CG1 3.69Å; T64-E385 VanDerWaalsContact CA-OE2 3.25Å; T64-E385 WeakPolarHBondContact CA-OE2 3.41Å; T64-E385 WeakPolarHBondContact CB-OE2 3.47Å; T64-E385 PolarHBondContact OG1-OE1 3.37Å; T64-E385 PolarHBondContact OG1-OE2 3.02Å; T64-R388 VanDerWaalsContact CB-NH1 3.28Å; T64-R388 PolarHBondContact OG1-NH1 3.06Å
65	N	89.7	Confident	85.5	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	35%	0.348	C	S	.	.			trans	-91.3	-24.4	170.2	-158.1	-94.4	0	0	0	112.5	T42 D49 G67 S169 K170 E385	T42-N65 VanDerWaalsContact CB-O 3.22Å; T42-N65 WeakPolarHBondContact CB-O 3.45Å; T42-N65 WeakPolarHBondContact CG2-O 3.38Å; T42-N65 PolarHBondContact O-OD1 3.12Å; T42-N65 PolarHBondContact OG1-O 2.96Å; D49-N65 WeakPolarHBondContact OD1-CB 3.5Å; D49-N65 PolarHBondContact OD1-ND2 3.32Å; N65-G67 PolarHBondContact O-N 2.92Å; N65-S169 VanDerWaalsContact CG-O 3.23Å; N65-S169 PolarHBondContact ND2-O 3.24Å; N65-S169 PolarHBondContact OD1-O 3.35Å; N65-K170 HydrophobicContact CB-CG 4.49Å; N65-E385 PolarHBondContact N-OE1 2.95Å
66	D	88.1	Confident	85.9	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.037	32%	0.316	C	S	.	.			trans	-68.1	121.5	-171.7	169.6	40	0	0	0	112.1	T64 A68 T69 I70 T99 R388	T64-D66 PolarHBondContact OG1-N 3.5Å; D66-A68 VanDerWaalsContact C-N 3.32Å; D66-A68 PolarHBondContact O-N 3.25Å; D66-A68 PolarHBondContact OD1-N 3.39Å; D66-A68 VanDerWaalsContact OD1-N 3.09Å; D66-T69 PolarHBondContact O-N 2.98Å; D66-T69 VanDerWaalsContact OD2-CB 3.3Å; D66-T69 WeakPolarHBondContact OD2-CB 3.38Å; D66-T69 PolarHBondContact OD2-N 3.34Å; D66-T69 PolarHBondContact OD2-OG1 3.49Å; D66-I70 WeakPolarHBondContact O-CD1 3.46Å; D66-I70 WeakPolarHBondContact O-CG1 3.34Å; D66-I70 PolarHBondContact O-N 2.96Å; D66-T99 PolarHBondContact OD1-OG1 3.37Å; D66-R388 HydrophobicContact CB-CG 4.43Å
67	G	89.5	Confident	86.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-39.4	179.4	0	0	0	0	0	112.6	N65 I70 L71 T99 T100	N65-G67 PolarHBondContact O-N 2.92Å; G67-I70 PolarHBondContact O-N 2.95Å; G67-L71 WeakPolarHBondContact O-CB 3.49Å; G67-L71 WeakPolarHBondContact O-CG 3.41Å; G67-L71 PolarHBondContact O-N 3.49Å; G67-T99 PolarHBondContact N-OG1 3.38Å; G67-T100 WeakPolarHBondContact CA-OG1 3.4Å; G67-T100 PolarHBondContact N-OG1 3.49Å
68	A	90.4	Very high	87.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-43.6	-179.8	0	0	0	0	0	110.9	D66 I70 L71 K72 S88 D92 T99	D66-A68 VanDerWaalsContact C-N 3.32Å; D66-A68 PolarHBondContact O-N 3.25Å; D66-A68 PolarHBondContact OD1-N 3.39Å; D66-A68 VanDerWaalsContact OD1-N 3.09Å; A68-I70 PolarHBondContact O-N 3.39Å; A68-L71 PolarHBondContact O-N 3.02Å; A68-K72 WeakPolarHBondContact O-CB 3.46Å; A68-K72 WeakPolarHBondContact O-CG 3.34Å; A68-K72 PolarHBondContact O-N 2.93Å; A68-S88 WeakPolarHBondContact CA-OG 3.49Å; A68-D92 HydrophobicContact CB-CB 3.89Å; A68-T99 HydrophobicContact CB-CG2 3.66Å; A68-T99 PolarHBondContact N-OG1 2.93Å
69	T	89.7	Confident	88.7	Confident	14 Å²	14	44.2 Å²	44.2	9%	0.086	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-42	177.1	-59.2	0	0	0	0	112.3	M62 T64 D66 L71 K72 N73 R388	M62-T69 HydrophobicContact SD-CG2 3.57Å; M62-T69 VanDerWaalsContact SD-CG2 3.57Å; T64-T69 HydrophobicContact CG2-CG2 4.08Å; D66-T69 PolarHBondContact O-N 2.98Å; D66-T69 VanDerWaalsContact OD2-CB 3.3Å; D66-T69 WeakPolarHBondContact OD2-CB 3.38Å; D66-T69 PolarHBondContact OD2-N 3.34Å; D66-T69 PolarHBondContact OD2-OG1 3.49Å; T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 PolarHBondContact O-N 3.37Å; T69-K72 PolarHBondContact O-N 3.18Å; T69-N73 WeakPolarHBondContact CG2-ND2 3.24Å; T69-N73 PolarHBondContact O-N 3.06Å; T69-N73 PolarHBondContact O-ND2 3.32Å; T69-R388 WeakPolarHBondContact OG1-CD 3.27Å; T69-R388 PolarHBondContact OG1-NE 3.47Å; T69-R388 VanDerWaalsContact OG1-NE 3.12Å
70	I	93	Very high	89.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-52.6	175	-69.2	162.4	0	0	0	109.6	V39 T42 K50 L52 T64 D66 G67 A68 K72 N73 I74	V39-I70 HydrophobicContact CG1-CG2 4.15Å; T42-I70 HydrophobicContact CG2-CD1 3.63Å; K50-I70 HydrophobicContact CB-CD1 4.07Å; K50-I70 HydrophobicContact CB-CG1 4.32Å; K50-I70 HydrophobicContact CD-CD1 3.88Å; K50-I70 HydrophobicContact CD-CG1 4.39Å; K50-I70 HydrophobicContact CD-CG2 4.13Å; K50-I70 HydrophobicContact CG-CD1 3.95Å; L52-I70 HydrophobicContact CD1-CG1 4.36Å; L52-I70 HydrophobicContact CD2-CG2 4.49Å; T64-I70 HydrophobicContact CG2-CD1 4.36Å; T64-I70 HydrophobicContact CG2-CG1 3.69Å; D66-I70 WeakPolarHBondContact O-CD1 3.46Å; D66-I70 WeakPolarHBondContact O-CG1 3.34Å; D66-I70 PolarHBondContact O-N 2.96Å; G67-I70 PolarHBondContact O-N 2.95Å; A68-I70 PolarHBondContact O-N 3.39Å; I70-K72 PolarHBondContact O-N 3.32Å; I70-N73 PolarHBondContact O-N 3.4Å; I70-I74 HydrophobicContact CG2-CD1 3.53Å; I70-I74 WeakPolarHBondContact O-CD1 3.12Å; I70-I74 VanDerWaalsContact O-CG1 3.25Å; I70-I74 WeakPolarHBondContact O-CG1 3.36Å; I70-I74 PolarHBondContact O-N 3.14Å
71	L	93	Very high	90.3	Very high	2 Å²	2	38 Å²	38	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-35.5	-175.4	-66.5	176.6	0	0	0	113.6	I35 V39 G67 A68 T69 N73 I74 V85 T103	I35-L71 HydrophobicContact CD1-CD2 4.2Å; I35-L71 HydrophobicContact CG2-CD1 4.41Å; I35-L71 HydrophobicContact CG2-CD2 3.55Å; V39-L71 HydrophobicContact CG1-CD1 4.32Å; V39-L71 HydrophobicContact CG1-CD2 3.82Å; V39-L71 HydrophobicContact CG1-CG 3.97Å; G67-L71 WeakPolarHBondContact O-CB 3.49Å; G67-L71 WeakPolarHBondContact O-CG 3.41Å; G67-L71 PolarHBondContact O-N 3.49Å; A68-L71 PolarHBondContact O-N 3.02Å; T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 PolarHBondContact O-N 3.37Å; L71-N73 VanDerWaalsContact C-N 3.26Å; L71-N73 PolarHBondContact O-N 3.46Å; L71-I74 PolarHBondContact O-N 2.7Å; L71-V85 HydrophobicContact CB-CB 4.42Å; L71-V85 HydrophobicContact CB-CG1 4.1Å; L71-V85 HydrophobicContact CB-CG2 4.05Å; L71-V85 HydrophobicContact CD2-CG2 4.41Å; L71-T103 HydrophobicContact CD1-CG2 3.88Å
72	K	90.2	Very high	90.5	Very high	95 Å²	95	38.8 Å²	38.8	41%	0.413	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-29.7	175.6	-75.6	167.7	-178.1	174.2	0	112.7	A68 T69 I70 D92	A68-K72 WeakPolarHBondContact O-CB 3.46Å; A68-K72 WeakPolarHBondContact O-CG 3.34Å; A68-K72 PolarHBondContact O-N 2.93Å; T69-K72 PolarHBondContact O-N 3.18Å; I70-K72 PolarHBondContact O-N 3.32Å; K72-D92 IonicContact NZ-OD2 3.12Å; K72-D92 PolarHBondContact NZ-OD2 3.29Å
73	N	89.4	Confident	90.9	Very high	93 Å²	93	38.3 Å²	38.3	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-95.2	-7.6	-175.2	-76.7	-78.7	0	0	0	114.3	L52 T69 I70 L71	L52-N73 HydrophobicContact CD1-CB 4.04Å; T69-N73 WeakPolarHBondContact CG2-ND2 3.24Å; T69-N73 PolarHBondContact O-N 3.06Å; T69-N73 PolarHBondContact O-ND2 3.32Å; I70-N73 PolarHBondContact O-N 3.4Å; L71-N73 VanDerWaalsContact C-N 3.26Å; L71-N73 PolarHBondContact O-N 3.46Å
74	I	89.7	Confident	91	Very high	55 Å²	55	36.4 Å²	36.4	28%	0.282	21%	0.21	S	C	.	.	S	Bend	trans	-91.2	128.8	-179.6	-64.5	154.9	0	0	0	109.9	L38 I70 L71 V76	L38-I74 HydrophobicContact CD2-CD1 3.21Å; L38-I74 HydrophobicContact CD2-CG1 4.44Å; L38-I74 HydrophobicContact CG-CD1 4.45Å; I70-I74 HydrophobicContact CG2-CD1 3.53Å; I70-I74 WeakPolarHBondContact O-CD1 3.12Å; I70-I74 VanDerWaalsContact O-CG1 3.25Å; I70-I74 WeakPolarHBondContact O-CG1 3.36Å; I70-I74 PolarHBondContact O-N 3.14Å; L71-I74 PolarHBondContact O-N 2.7Å; I74-V76 HydrophobicContact CB-CG2 4.33Å; I74-V76 HydrophobicContact CG2-CG2 3.71Å; I74-V76 PolarHBondContact O-N 2.85Å
75	G	87.5	Confident	91.2	Very high	80 Å²	80	37.4 Å²	37.4	83%	0.825	22%	0.217	S	C	*	.			trans	-74	108.2	170	0	0	0	0	0	110.7
76	V	89.2	Confident	91.3	Very high	29 Å²	29	41.7 Å²	41.7	18%	0.176	24%	0.239	C	C	.	.			trans	-117	131	178.9	-166.8	0	0	0	0	111.2	I35 I74 N78 A81 K82	I35-V76 HydrophobicContact CD1-CG2 3.91Å; I74-V76 HydrophobicContact CB-CG2 4.33Å; I74-V76 HydrophobicContact CG2-CG2 3.71Å; I74-V76 PolarHBondContact O-N 2.85Å; V76-N78 HydrophobicContact CG1-CB 4.26Å; V76-A81 HydrophobicContact CB-CB 4.46Å; V76-A81 HydrophobicContact CG1-CB 3.35Å; V76-K82 WeakPolarHBondContact O-CE 3.34Å
77	D	90.3	Very high	91.5	Very high	152 Å²	152	43.5 Å²	43.5	81%	0.813	25%	0.248	S	C	*	.			trans	-94	-26.7	177.1	-72.3	-37.3	0	0	0	113.4
78	N	91.8	Very high	91.7	Very high	29 Å²	29	43.5 Å²	43.5	16%	0.155	25%	0.248	C	C	.	.			trans	-69	128.6	-177.1	-174.4	-56	0	0	0	111.2	T27 G31 V76 A80 A81 K82	T27-N78 WeakPolarHBondContact CG2-ND2 3.33Å; T27-N78 PolarHBondContact O-ND2 3.48Å; G31-N78 WeakPolarHBondContact CA-ND2 3.43Å; V76-N78 HydrophobicContact CG1-CB 4.26Å; N78-A80 WeakPolarHBondContact OD1-CB 3.49Å; N78-A80 PolarHBondContact OD1-N 3.23Å; N78-A81 HydrophobicContact CB-CB 3.93Å; N78-A81 WeakPolarHBondContact O-CB 3.12Å; N78-A81 PolarHBondContact O-N 2.69Å; N78-A81 PolarHBondContact OD1-N 3.08Å; N78-K82 PolarHBondContact O-N 3.14Å; N78-K82 VanDerWaalsContact O-N 3.09Å
79	P	92.5	Very high	91.8	Very high	51 Å²	51	50 Å²	50	33%	0.331	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-38.4	-176.9	26.2	-34.2	0	0	0	113.3	A81 K82 V83 I520	P79-A81 VanDerWaalsContact C-N 3.3Å; P79-A81 PolarHBondContact O-N 3.1Å; P79-K82 WeakPolarHBondContact O-CB 3.43Å; P79-K82 PolarHBondContact O-N 3.01Å; P79-V83 WeakPolarHBondContact O-CG2 3.47Å; P79-V83 PolarHBondContact O-N 3.38Å; P79-I520 HydrophobicContact CG-CD1 4.06Å; P79-I520 HydrophobicContact CG-CG1 4.48Å; P79-I520 HydrophobicContact CG-CG2 4.01Å
80	A	92.7	Very high	91.9	Very high	6 Å²	6	52.1 Å²	52.1	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-36.3	178.5	0	0	0	0	0	111.5	S28 N78 V83 L84 I514	S28-A80 VanDerWaalsContact O-CB 3.3Å; S28-A80 WeakPolarHBondContact O-CB 3.27Å; N78-A80 WeakPolarHBondContact OD1-CB 3.49Å; N78-A80 PolarHBondContact OD1-N 3.23Å; A80-V83 WeakPolarHBondContact O-CB 3.43Å; A80-V83 PolarHBondContact O-N 3.44Å; A80-L84 PolarHBondContact O-N 3Å; A80-I514 HydrophobicContact CB-CD1 4.13Å; A80-I514 HydrophobicContact CB-CG1 4.15Å; A80-I514 HydrophobicContact CB-CG2 4.04Å
81	A	93.7	Very high	91.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-43	172.6	0	0	0	0	0	112	I35 V76 N78 P79 V83 L84 V85	I35-A81 HydrophobicContact CD1-CB 4.25Å; I35-A81 HydrophobicContact CG1-CB 3.47Å; I35-A81 VanDerWaalsContact CG1-CB 3.47Å; V76-A81 HydrophobicContact CB-CB 4.46Å; V76-A81 HydrophobicContact CG1-CB 3.35Å; N78-A81 HydrophobicContact CB-CB 3.93Å; N78-A81 WeakPolarHBondContact O-CB 3.12Å; N78-A81 PolarHBondContact O-N 2.69Å; N78-A81 PolarHBondContact OD1-N 3.08Å; P79-A81 VanDerWaalsContact C-N 3.3Å; P79-A81 PolarHBondContact O-N 3.1Å; A81-V83 VanDerWaalsContact C-N 3.3Å; A81-V83 PolarHBondContact O-N 3.01Å; A81-L84 PolarHBondContact O-N 3.16Å; A81-L84 VanDerWaalsContact O-N 3.09Å; A81-V85 WeakPolarHBondContact O-CG2 3.19Å; A81-V85 PolarHBondContact O-N 2.62Å
82	K	93.4	Very high	91.9	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-39.5	174.2	-71.1	-178.3	-176.8	179.4	0	112.6	V76 N78 P79 L84 V85 D86	V76-K82 WeakPolarHBondContact O-CE 3.34Å; N78-K82 PolarHBondContact O-N 3.14Å; N78-K82 VanDerWaalsContact O-N 3.09Å; P79-K82 WeakPolarHBondContact O-CB 3.43Å; P79-K82 PolarHBondContact O-N 3.01Å; K82-L84 VanDerWaalsContact C-N 3.29Å; K82-L84 PolarHBondContact O-N 3.42Å; K82-V85 PolarHBondContact O-N 3.2Å; K82-V85 VanDerWaalsContact O-N 3.14Å; K82-D86 PolarHBondContact O-N 3.39Å
83	V	93.8	Very high	91.8	Very high	42 Å²	42	53.6 Å²	53.6	26%	0.255	30%	0.298	S	S	.	.	H	α-helix	trans	-56.3	-46	173.7	172.7	0	0	0	0	110.4	P79 A80 A81 V85 D86 M87 I514	P79-V83 WeakPolarHBondContact O-CG2 3.47Å; P79-V83 PolarHBondContact O-N 3.38Å; A80-V83 WeakPolarHBondContact O-CB 3.43Å; A80-V83 PolarHBondContact O-N 3.44Å; A81-V83 VanDerWaalsContact C-N 3.3Å; A81-V83 PolarHBondContact O-N 3.01Å; V83-V85 PolarHBondContact O-N 3.31Å; V83-D86 PolarHBondContact O-N 3.18Å; V83-M87 HydrophobicContact CG1-CG 4.43Å; V83-M87 WeakPolarHBondContact O-CG 3.43Å; V83-M87 PolarHBondContact O-N 3.36Å; V83-I514 HydrophobicContact CB-CD1 4.32Å; V83-I514 HydrophobicContact CB-CG1 4.43Å; V83-I514 HydrophobicContact CG1-CD1 4.18Å; V83-I514 HydrophobicContact CG1-CG1 4.24Å
84	L	93.5	Very high	91.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-37.5	176.3	-64.7	-170.7	0	0	0	113.4	A32 I35 A80 A81 K82 M87 S88 T103 A106 A510 I514	A32-L84 HydrophobicContact CB-CD1 3.78Å; A32-L84 HydrophobicContact CB-CG 4.49Å; I35-L84 HydrophobicContact CB-CD1 4.37Å; I35-L84 HydrophobicContact CG2-CB 4.14Å; I35-L84 HydrophobicContact CG2-CD1 4.15Å; A80-L84 PolarHBondContact O-N 3Å; A81-L84 PolarHBondContact O-N 3.16Å; A81-L84 VanDerWaalsContact O-N 3.09Å; K82-L84 VanDerWaalsContact C-N 3.29Å; K82-L84 PolarHBondContact O-N 3.42Å; L84-M87 PolarHBondContact O-N 3.34Å; L84-S88 WeakPolarHBondContact O-CB 3.5Å; L84-S88 PolarHBondContact O-N 3.15Å; L84-T103 HydrophobicContact CB-CG2 4.44Å; L84-T103 HydrophobicContact CD1-CG2 4.38Å; L84-A106 HydrophobicContact CD2-CB 3.56Å; L84-A510 HydrophobicContact CD2-CB 4Å; L84-I514 HydrophobicContact CD2-CD1 4.12Å; L84-I514 HydrophobicContact CG-CD1 4.3Å
85	V	93.9	Very high	91.7	Very high	22 Å²	22	52.5 Å²	52.5	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-46.3	174.6	177.3	0	0	0	0	110.9	L71 A81 K82 V83 M87 S88 R89	L71-V85 HydrophobicContact CB-CB 4.42Å; L71-V85 HydrophobicContact CB-CG1 4.1Å; L71-V85 HydrophobicContact CB-CG2 4.05Å; L71-V85 HydrophobicContact CD2-CG2 4.41Å; A81-V85 WeakPolarHBondContact O-CG2 3.19Å; A81-V85 PolarHBondContact O-N 2.62Å; K82-V85 PolarHBondContact O-N 3.2Å; K82-V85 VanDerWaalsContact O-N 3.14Å; V83-V85 PolarHBondContact O-N 3.31Å; V85-M87 VanDerWaalsContact C-N 3.34Å; V85-M87 PolarHBondContact O-N 2.87Å; V85-S88 PolarHBondContact O-N 3.16Å; V85-R89 PolarHBondContact O-N 3.39Å
86	D	92.8	Very high	91.6	Very high	93 Å²	93	48.8 Å²	48.8	50%	0.497	25%	0.25	S	S	.	.	H	α-helix	trans	-65.1	-38.3	178.8	-70.9	-25.4	0	0	0	111.4	K82 V83 R89 V90	K82-D86 PolarHBondContact O-N 3.39Å; V83-D86 PolarHBondContact O-N 3.18Å; D86-R89 WeakPolarHBondContact O-CB 3.4Å; D86-R89 PolarHBondContact O-N 3.43Å; D86-V90 WeakPolarHBondContact O-CG2 3.38Å; D86-V90 PolarHBondContact O-N 2.95Å
87	M	92.2	Very high	91.5	Very high	45 Å²	45	48.6 Å²	48.6	22%	0.222	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-38.9	175.1	-67	-62.7	93.8	0	0	112.9	V83 L84 V85 R89 V90 Q91 V102 A510	V83-M87 HydrophobicContact CG1-CG 4.43Å; V83-M87 WeakPolarHBondContact O-CG 3.43Å; V83-M87 PolarHBondContact O-N 3.36Å; L84-M87 PolarHBondContact O-N 3.34Å; V85-M87 VanDerWaalsContact C-N 3.34Å; V85-M87 PolarHBondContact O-N 2.87Å; M87-R89 VanDerWaalsContact C-N 3.3Å; M87-R89 PolarHBondContact O-N 3.27Å; M87-V90 HydrophobicContact CE-CG2 4.19Å; M87-V90 PolarHBondContact O-N 3.46Å; M87-Q91 PolarHBondContact O-N 3.24Å; M87-V102 HydrophobicContact CB-CG1 4.49Å; M87-A510 HydrophobicContact CG-CB 3.92Å
88	S	93.4	Very high	91.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-39.1	173.7	-175	0	0	0	0	111.7	A68 L84 V85 Q91 D92	A68-S88 WeakPolarHBondContact CA-OG 3.49Å; L84-S88 WeakPolarHBondContact O-CB 3.5Å; L84-S88 PolarHBondContact O-N 3.15Å; V85-S88 PolarHBondContact O-N 3.16Å; S88-Q91 PolarHBondContact O-N 3.46Å; S88-D92 WeakPolarHBondContact O-CB 3.28Å; S88-D92 PolarHBondContact O-N 3.16Å
89	R	91.9	Very high	91.5	Very high	138 Å²	138	40.4 Å²	40.4	52%	0.521	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-42.6	173.2	178	-179.5	175.1	-178.2	1.8	112.6	V85 D86 M87 Q91 D92 D93	V85-R89 PolarHBondContact O-N 3.39Å; D86-R89 WeakPolarHBondContact O-CB 3.4Å; D86-R89 PolarHBondContact O-N 3.43Å; M87-R89 VanDerWaalsContact C-N 3.3Å; M87-R89 PolarHBondContact O-N 3.27Å; R89-Q91 VanDerWaalsContact C-N 3.29Å; R89-Q91 PolarHBondContact O-N 3.41Å; R89-D92 WeakPolarHBondContact O-CB 3.31Å; R89-D92 PolarHBondContact O-N 2.89Å; R89-D93 IonicContact NE-OD2 3.36Å; R89-D93 VanDerWaalsContact O-CG 3.29Å; R89-D93 PolarHBondContact O-N 3.03Å
90	V	93.2	Very high	91.5	Very high	58 Å²	58	38.6 Å²	38.6	35%	0.352	19%	0.194	S	C	.	.	H	α-helix	trans	-62.7	-38.9	177.1	171.6	0	0	0	0	111	D86 M87 D93 E94	D86-V90 WeakPolarHBondContact O-CG2 3.38Å; D86-V90 PolarHBondContact O-N 2.95Å; M87-V90 HydrophobicContact CE-CG2 4.19Å; M87-V90 PolarHBondContact O-N 3.46Å; V90-D93 PolarHBondContact O-N 2.98Å; V90-E94 HydrophobicContact CG1-CG 4.36Å; V90-E94 WeakPolarHBondContact O-CB 3.37Å; V90-E94 WeakPolarHBondContact O-CG 3.3Å; V90-E94 PolarHBondContact O-N 3.08Å
91	Q	92.7	Very high	91.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-43.5	175.5	-176.6	64.8	29.3	0	0	112.3	M87 S88 R89 V95 G96 D97 T99 V102	M87-Q91 PolarHBondContact O-N 3.24Å; S88-Q91 PolarHBondContact O-N 3.46Å; R89-Q91 VanDerWaalsContact C-N 3.29Å; R89-Q91 PolarHBondContact O-N 3.41Å; Q91-V95 PolarHBondContact O-N 3.49Å; Q91-G96 PolarHBondContact O-N 2.92Å; Q91-D97 WeakPolarHBondContact CG-O 3.23Å; Q91-D97 PolarHBondContact NE2-O 2.93Å; Q91-T99 HydrophobicContact CG-CG2 4.5Å; Q91-V102 HydrophobicContact CB-CG2 4.12Å; Q91-V102 HydrophobicContact CG-CG2 3.72Å
92	D	91.9	Very high	91.7	Very high	24 Å²	24	39.2 Å²	39.2	13%	0.128	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-47.6	176	-169	40.6	0	0	0	111.3	A68 K72 S88 R89 E94 G96 T99	A68-D92 HydrophobicContact CB-CB 3.89Å; K72-D92 IonicContact NZ-OD2 3.12Å; K72-D92 PolarHBondContact NZ-OD2 3.29Å; S88-D92 WeakPolarHBondContact O-CB 3.28Å; S88-D92 PolarHBondContact O-N 3.16Å; R89-D92 WeakPolarHBondContact O-CB 3.31Å; R89-D92 PolarHBondContact O-N 2.89Å; D92-E94 PolarHBondContact O-N 3.15Å; D92-G96 WeakPolarHBondContact O-CA 3.36Å; D92-G96 PolarHBondContact O-N 3.43Å; D92-T99 HydrophobicContact CB-CG2 3.85Å
93	D	89.5	Confident	91.8	Very high	105 Å²	105	34.4 Å²	34.4	56%	0.561	18%	0.177	S	C	*	.	H	α-helix	trans	-68	-36	-178.5	-66.7	-18.1	0	0	0	112.6	R89 V90	R89-D93 IonicContact NE-OD2 3.36Å; R89-D93 VanDerWaalsContact O-CG 3.29Å; R89-D93 PolarHBondContact O-N 3.03Å; V90-D93 PolarHBondContact O-N 2.98Å
94	E	87.9	Confident	91.9	Very high	116 Å²	116	32.4 Å²	32.4	54%	0.542	17%	0.165	S	C	.	.	H	α-helix	trans	-83.2	-42.9	-177.2	-73.1	-68.3	145.2	0	0	113.5	V90 D92 Q399	V90-E94 HydrophobicContact CG1-CG 4.36Å; V90-E94 WeakPolarHBondContact O-CB 3.37Å; V90-E94 WeakPolarHBondContact O-CG 3.3Å; V90-E94 PolarHBondContact O-N 3.08Å; D92-E94 PolarHBondContact O-N 3.15Å; E94-Q399 PolarHBondContact O-NE2 2.99Å
95	V	87.9	Confident	92.1	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.055	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-24.3	-171.2	-157.1	0	0	0	0	113.4	Q91 D97 C395 Q399 V499 Q502	Q91-V95 PolarHBondContact O-N 3.49Å; V95-D97 PolarHBondContact O-N 2.95Å; V95-C395 WeakPolarHBondContact O-CB 3.18Å; V95-Q399 HydrophobicContact CG1-CG 4.49Å; V95-V499 HydrophobicContact CB-CG2 4.47Å; V95-V499 HydrophobicContact CG1-CB 4.17Å; V95-V499 HydrophobicContact CG1-CG2 3.3Å; V95-Q502 HydrophobicContact CG2-CB 4.04Å; V95-Q502 HydrophobicContact CG2-CG 4.12Å
96	G	84.6	Confident	92.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	75.6	0.7	179.2	0	0	0	0	0	115.8	Q91 D92 D392	Q91-G96 PolarHBondContact O-N 2.92Å; D92-G96 WeakPolarHBondContact O-CA 3.36Å; D92-G96 PolarHBondContact O-N 3.43Å; G96-D392 WeakPolarHBondContact O-CB 3.17Å
97	D	88	Confident	92.4	Very high	26 Å²	26	27 Å²	27	14%	0.139	14%	0.135	C	C	.	.	S	Bend	trans	-145.4	165.8	175.3	-167.1	15.2	0	0	0	110.6	Q91 V95 T166 V396	Q91-D97 WeakPolarHBondContact CG-O 3.23Å; Q91-D97 PolarHBondContact NE2-O 2.93Å; V95-D97 PolarHBondContact O-N 2.95Å; D97-T166 HydrophobicContact CB-CG2 4.48Å; D97-T166 VanDerWaalsContact OD2-CG2 3.24Å; D97-T166 WeakPolarHBondContact OD2-CG2 3.5Å; D97-T166 PolarHBondContact OD2-OG1 2.62Å; D97-V396 HydrophobicContact CB-CG2 3.2Å
98	G	89.3	Confident	92.6	Very high	4 Å²	4	25 Å²	25	4%	0.041	13%	0.125	C	C	.	.			trans	79.9	15.1	-175.5	0	0	0	0	0	114.1	T100 S101 V102	G98-T100 PolarHBondContact O-N 3.35Å; G98-S101 PolarHBondContact O-N 3.27Å; G98-V102 WeakPolarHBondContact O-CG2 3.19Å; G98-V102 PolarHBondContact O-N 2.96Å
99	T	91.9	Very high	92.8	Very high	5 Å²	5	25 Å²	25	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-46.9	-179.9	58.6	0	0	0	0	111.7	D66 G67 A68 Q91 D92 T103	D66-T99 PolarHBondContact OD1-OG1 3.37Å; G67-T99 PolarHBondContact N-OG1 3.38Å; A68-T99 HydrophobicContact CB-CG2 3.66Å; A68-T99 PolarHBondContact N-OG1 2.93Å; Q91-T99 HydrophobicContact CG-CG2 4.5Å; D92-T99 HydrophobicContact CB-CG2 3.85Å; T99-T103 PolarHBondContact O-N 3.41Å; T99-T103 PolarHBondContact O-OG1 3.29Å
100	T	93.5	Very high	92.9	Very high	12 Å²	12	18.4 Å²	18.4	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-45.5	173.1	-54.3	0	0	0	0	111.4	V39 T42 L43 G67 G98 V102 T103 V104	V39-T100 HydrophobicContact CB-CG2 4.19Å; V39-T100 HydrophobicContact CG2-CG2 4.14Å; V39-T100 WeakPolarHBondContact O-CG2 3.28Å; T42-T100 WeakPolarHBondContact OG1-CG2 3.32Å; T42-T100 PolarHBondContact OG1-OG1 3.04Å; T42-T100 VanDerWaalsContact OG1-OG1 3.12Å; L43-T100 HydrophobicContact CB-CG2 3.98Å; L43-T100 HydrophobicContact CD1-CG2 4.18Å; G67-T100 WeakPolarHBondContact CA-OG1 3.4Å; G67-T100 PolarHBondContact N-OG1 3.49Å; G98-T100 PolarHBondContact O-N 3.35Å; T100-V102 PolarHBondContact O-N 3.29Å; T100-T103 PolarHBondContact O-N 3.07Å; T100-T103 VanDerWaalsContact O-N 3.15Å; T100-V104 HydrophobicContact CG2-CG2 3.98Å; T100-V104 WeakPolarHBondContact O-CB 3.28Å; T100-V104 WeakPolarHBondContact O-CG2 3.41Å; T100-V104 PolarHBondContact O-N 2.89Å
101	S	94.5	Very high	93.1	Very high	19 Å²	19	19.3 Å²	19.3	13%	0.133	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-42.1	-177	-56.8	0	0	0	0	112.7	L43 G98 L105	L43-S101 WeakPolarHBondContact CD1-OG 3.41Å; G98-S101 PolarHBondContact O-N 3.27Å; S101-L105 WeakPolarHBondContact O-CB 3.44Å; S101-L105 PolarHBondContact O-N 3.45Å
102	V	95.4	Very high	93.2	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-50.1	173.3	166.4	0	0	0	0	111	M87 Q91 G98 T100 L105 A106 V503	M87-V102 HydrophobicContact CB-CG1 4.49Å; Q91-V102 HydrophobicContact CB-CG2 4.12Å; Q91-V102 HydrophobicContact CG-CG2 3.72Å; G98-V102 WeakPolarHBondContact O-CG2 3.19Å; G98-V102 PolarHBondContact O-N 2.96Å; T100-V102 PolarHBondContact O-N 3.29Å; V102-L105 PolarHBondContact O-N 3.45Å; V102-A106 VanDerWaalsContact O-CB 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 3.26Å; V102-V503 HydrophobicContact CG2-CB 4.08Å; V102-V503 HydrophobicContact CG2-CG1 4.2Å; V102-V503 HydrophobicContact CG2-CG2 3.88Å
103	T	95.7	Very high	93.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-45.3	-174.4	-53.1	0	0	0	0	111.1	I35 V39 L71 L84 T99 T100 A107	I35-T103 HydrophobicContact CG2-CG2 3.6Å; V39-T103 HydrophobicContact CG2-CG2 3.83Å; L71-T103 HydrophobicContact CD1-CG2 3.88Å; L84-T103 HydrophobicContact CB-CG2 4.44Å; L84-T103 HydrophobicContact CD1-CG2 4.38Å; T99-T103 PolarHBondContact O-N 3.41Å; T99-T103 PolarHBondContact O-OG1 3.29Å; T100-T103 PolarHBondContact O-N 3.07Å; T100-T103 VanDerWaalsContact O-N 3.15Å; T103-A107 WeakPolarHBondContact O-CB 3.3Å; T103-A107 PolarHBondContact O-N 2.88Å
104	V	96.4	Very high	93.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-46.5	178.6	173	0	0	0	0	110.6	V39 K40 L43 T100 A106 A107 E108 L446 I449	V39-V104 HydrophobicContact CG2-CG2 3.96Å; K40-V104 HydrophobicContact CG-CG1 4.27Å; K40-V104 HydrophobicContact CG-CG2 4Å; L43-V104 HydrophobicContact CD2-CG1 4.49Å; T100-V104 HydrophobicContact CG2-CG2 3.98Å; T100-V104 WeakPolarHBondContact O-CB 3.28Å; T100-V104 WeakPolarHBondContact O-CG2 3.41Å; T100-V104 PolarHBondContact O-N 2.89Å; V104-A106 PolarHBondContact O-N 2.97Å; V104-A107 PolarHBondContact O-N 3.44Å; V104-E108 HydrophobicContact CG1-CG 4.35Å; V104-E108 WeakPolarHBondContact O-CG 3.4Å; V104-E108 PolarHBondContact O-N 3.44Å; V104-L446 HydrophobicContact CB-CD2 4.13Å; V104-L446 HydrophobicContact CG1-CD2 3.77Å; V104-I449 HydrophobicContact CG1-CD1 3.34Å
105	L	97	Very high	93.8	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-62.2	-43.4	179.3	-178	57.9	0	0	0	111.7	S101 V102 E108 L109 L443 L446 V503 A507	S101-L105 WeakPolarHBondContact O-CB 3.44Å; S101-L105 PolarHBondContact O-N 3.45Å; V102-L105 PolarHBondContact O-N 3.45Å; L105-E108 PolarHBondContact O-N 3.5Å; L105-L109 HydrophobicContact CG-CD1 4.38Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 VanDerWaalsContact O-CG 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.23Å; L105-L109 PolarHBondContact O-N 2.88Å; L105-L443 HydrophobicContact CD1-CD2 3.96Å; L105-L443 HydrophobicContact CD1-CG 4.48Å; L105-L443 HydrophobicContact CD2-CD2 4.14Å; L105-L446 HydrophobicContact CB-CD1 4.23Å; L105-L446 HydrophobicContact CB-CD2 4.47Å; L105-L446 HydrophobicContact CD1-CD1 4.19Å; L105-L446 HydrophobicContact CD2-CD1 4.36Å; L105-L446 HydrophobicContact CG-CD1 4.49Å; L105-V503 HydrophobicContact CD2-CG1 4.24Å; L105-A507 HydrophobicContact CB-CB 3.92Å; L105-A507 HydrophobicContact CD2-CB 3.75Å; L105-A507 HydrophobicContact CG-CB 3.76Å
106	A	96.5	Very high	94	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-42	176.9	0	0	0	0	0	112	L84 V102 V104 L109 L110 A507 A510	L84-A106 HydrophobicContact CD2-CB 3.56Å; V102-A106 VanDerWaalsContact O-CB 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.4Å; V102-A106 PolarHBondContact O-N 3.26Å; V104-A106 PolarHBondContact O-N 2.97Å; A106-L109 PolarHBondContact O-N 3.43Å; A106-L110 VanDerWaalsContact O-CG 3.3Å; A106-L110 WeakPolarHBondContact O-CG 3.32Å; A106-L110 PolarHBondContact O-N 3.46Å; A106-L110 VanDerWaalsContact O-N 3.1Å; A106-A507 HydrophobicContact CB-CB 4.14Å; A106-A510 HydrophobicContact CB-CB 4.2Å
107	A	96.4	Very high	94.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-41	176.7	0	0	0	0	0	112.5	T103 V104 L110 R111	T103-A107 WeakPolarHBondContact O-CB 3.3Å; T103-A107 PolarHBondContact O-N 2.88Å; V104-A107 PolarHBondContact O-N 3.44Å; A107-L110 PolarHBondContact O-N 2.96Å; A107-R111 PolarHBondContact O-N 3.46Å
108	E	96.7	Very high	94.6	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-69.5	-35.2	177.3	-70.2	-54.7	129.5	0	0	112.5	K40 V104 L105 L110 R111 E112 A442 M445 I449	K40-E108 WeakPolarHBondContact CE-OE1 3.34Å; K40-E108 IonicContact NZ-OE1 3.84Å; K40-E108 PolarHBondContact NZ-OE1 2.98Å; V104-E108 HydrophobicContact CG1-CG 4.35Å; V104-E108 WeakPolarHBondContact O-CG 3.4Å; V104-E108 PolarHBondContact O-N 3.44Å; L105-E108 PolarHBondContact O-N 3.5Å; E108-L110 VanDerWaalsContact C-N 3.33Å; E108-L110 PolarHBondContact O-N 3.09Å; E108-R111 PolarHBondContact O-N 3.21Å; E108-R111 IonicContact OE1-CZ 2.84Å; E108-R111 IonicContact OE1-NE 2.72Å; E108-R111 PolarHBondContact OE1-NE 3.21Å; E108-R111 VanDerWaalsContact OE1-NE 3.12Å; E108-R111 IonicContact OE1-NH2 2.81Å; E108-R111 PolarHBondContact OE1-NH2 2.95Å; E108-R111 IonicContact OE2-NE 3.84Å; E108-R111 PolarHBondContact OE2-NE 3.06Å; E108-E112 PolarHBondContact O-N 3.1Å; E108-A442 HydrophobicContact CB-CB 4.19Å; E108-M445 HydrophobicContact CB-CB 4.28Å; E108-M445 HydrophobicContact CG-CB 3.84Å; E108-M445 HydrophobicContact CG-CG 4.3Å; E108-I449 HydrophobicContact CG-CD1 4.43Å
109	L	96.8	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.6	-46.5	169.1	-75.6	170.4	0	0	0	111	L105 A106 R111 E112 A113 W130 Y439 A442 A511	L105-L109 HydrophobicContact CG-CD1 4.38Å; L105-L109 WeakPolarHBondContact O-CB 3.39Å; L105-L109 VanDerWaalsContact O-CG 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.23Å; L105-L109 PolarHBondContact O-N 2.88Å; A106-L109 PolarHBondContact O-N 3.43Å; L109-R111 PolarHBondContact O-N 3.49Å; L109-E112 PolarHBondContact O-N 3.4Å; L109-A113 PolarHBondContact O-N 3.05Å; L109-W130 HydrophobicContact CB-CH2 3.95Å; L109-W130 HydrophobicContact CB-CZ2 4.3Å; L109-W130 HydrophobicContact CB-CZ3 4.4Å; L109-W130 HydrophobicContact CD2-CZ2 4.28Å; L109-W130 WeakPolarHBondContact O-CH2 3.2Å; L109-W130 VanDerWaalsContact O-CZ2 3.24Å; L109-W130 WeakPolarHBondContact O-CZ2 3.25Å; L109-Y439 HydrophobicContact CD1-CD2 4.47Å; L109-Y439 HydrophobicContact CD1-CE2 3.92Å; L109-Y439 HydrophobicContact CD2-CD2 3.28Å; L109-Y439 HydrophobicContact CD2-CE2 3.58Å; L109-Y439 HydrophobicContact CD2-CG 3.93Å; L109-Y439 HydrophobicContact CG-CE2 4.43Å; L109-A442 HydrophobicContact CD2-CB 3.59Å; L109-A442 HydrophobicContact CG-CB 3.9Å; L109-A511 HydrophobicContact CB-CB 3.94Å; L109-A511 HydrophobicContact CD1-CB 4.01Å
110	L	95.9	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-34.2	-180	-69.9	167.8	0	0	0	112.9	F29 A32 A106 A107 E108 A113 E114 A511 I514	F29-L110 HydrophobicContact CD1-CB 4.07Å; F29-L110 HydrophobicContact CD1-CD2 4.01Å; F29-L110 HydrophobicContact CE1-CD2 3.79Å; A32-L110 HydrophobicContact CB-CD1 3.35Å; A106-L110 VanDerWaalsContact O-CG 3.3Å; A106-L110 WeakPolarHBondContact O-CG 3.32Å; A106-L110 PolarHBondContact O-N 3.46Å; A106-L110 VanDerWaalsContact O-N 3.1Å; A107-L110 PolarHBondContact O-N 2.96Å; E108-L110 VanDerWaalsContact C-N 3.33Å; E108-L110 PolarHBondContact O-N 3.09Å; L110-A113 PolarHBondContact O-N 3.23Å; L110-E114 PolarHBondContact O-N 3.04Å; L110-A511 HydrophobicContact CD2-CB 4.37Å; L110-A511 HydrophobicContact CG-CB 4.33Å; L110-I514 HydrophobicContact CD1-CB 4.14Å; L110-I514 HydrophobicContact CD1-CD1 3.59Å; L110-I514 HydrophobicContact CD1-CG1 4.46Å; L110-I514 HydrophobicContact CD1-CG2 3.95Å; L110-I514 HydrophobicContact CD2-CB 3.95Å; L110-I514 HydrophobicContact CD2-CG2 3.73Å
111	R	95.8	Very high	94.6	Very high	76 Å²	76	34 Å²	34	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-61.3	-43.5	170.9	-169.8	-173.4	-58	-79.3	3.8	111.8	I33 D37 A107 E108 L109 E114 S115	I33-R111 HydrophobicContact CD1-CB 4.14Å; I33-R111 HydrophobicContact CD1-CG 4.33Å; I33-R111 HydrophobicContact CG1-CB 4.29Å; D37-R111 VanDerWaalsContact CG-NH2 3.3Å; D37-R111 IonicContact OD1-NH2 3.91Å; D37-R111 PolarHBondContact OD1-NH2 3.14Å; D37-R111 IonicContact OD2-NH2 3.47Å; D37-R111 PolarHBondContact OD2-NH2 3.46Å; A107-R111 PolarHBondContact O-N 3.46Å; E108-R111 PolarHBondContact O-N 3.21Å; E108-R111 IonicContact OE1-CZ 2.84Å; E108-R111 IonicContact OE1-NE 2.72Å; E108-R111 PolarHBondContact OE1-NE 3.21Å; E108-R111 VanDerWaalsContact OE1-NE 3.12Å; E108-R111 IonicContact OE1-NH2 2.81Å; E108-R111 PolarHBondContact OE1-NH2 2.95Å; E108-R111 IonicContact OE2-NE 3.84Å; E108-R111 PolarHBondContact OE2-NE 3.06Å; L109-R111 PolarHBondContact O-N 3.49Å; R111-E114 WeakPolarHBondContact O-CB 3.33Å; R111-E114 PolarHBondContact O-N 2.72Å; R111-S115 PolarHBondContact O-N 3.28Å
112	E	95.2	Very high	94.5	Very high	37 Å²	37	39.1 Å²	39.1	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-37.6	174.6	-75.6	-67.5	149.6	0	0	111.8	E108 L109 E114 S115 L116 K441 A442	E108-E112 PolarHBondContact O-N 3.1Å; L109-E112 PolarHBondContact O-N 3.4Å; E112-E114 PolarHBondContact O-N 2.88Å; E112-S115 WeakPolarHBondContact O-CB 3.43Å; E112-S115 PolarHBondContact O-N 3.43Å; E112-L116 WeakPolarHBondContact O-CG 3.3Å; E112-L116 PolarHBondContact O-N 2.93Å; E112-L116 VanDerWaalsContact O-N 3.08Å; E112-K441 HydrophobicContact CG-CB 4.44Å; E112-A442 HydrophobicContact CG-CB 4.41Å
113	A	94.4	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-39.1	174.2	0	0	0	0	0	113	F29 L109 L110 S115 L116 I117 W130 L515	F29-A113 HydrophobicContact CE1-CB 4.38Å; F29-A113 HydrophobicContact CZ-CB 4.41Å; L109-A113 PolarHBondContact O-N 3.05Å; L110-A113 PolarHBondContact O-N 3.23Å; A113-S115 VanDerWaalsContact C-N 3.28Å; A113-S115 PolarHBondContact O-N 3.12Å; A113-L116 PolarHBondContact O-N 2.82Å; A113-L116 VanDerWaalsContact O-N 3.16Å; A113-I117 WeakPolarHBondContact O-CB 3.36Å; A113-I117 WeakPolarHBondContact O-CG1 3.19Å; A113-I117 PolarHBondContact O-N 2.87Å; A113-W130 HydrophobicContact CB-CH2 3.52Å; A113-W130 HydrophobicContact CB-CZ2 3.88Å; A113-W130 HydrophobicContact CB-CZ3 4.48Å; A113-L515 HydrophobicContact CB-CD1 4.04Å; A113-L515 HydrophobicContact CB-CD2 4.48Å
114	E	93.6	Very high	94.3	Very high	76 Å²	76	44.5 Å²	44.5	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-55.7	-45.8	174.5	-174.3	-177.6	-168.5	0	0	110.9	F29 L110 R111 E112 L116 I117 A118	F29-E114 HydrophobicContact CD2-CB 3.89Å; F29-E114 HydrophobicContact CD2-CG 4.04Å; F29-E114 HydrophobicContact CE2-CB 4.28Å; F29-E114 HydrophobicContact CG-CB 4.33Å; L110-E114 PolarHBondContact O-N 3.04Å; R111-E114 WeakPolarHBondContact O-CB 3.33Å; R111-E114 PolarHBondContact O-N 2.72Å; E112-E114 PolarHBondContact O-N 2.88Å; E114-L116 PolarHBondContact O-N 3.04Å; E114-I117 PolarHBondContact O-N 2.82Å; E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 3.3Å
115	S	93.4	Very high	94.2	Very high	52 Å²	52	46.4 Å²	46.4	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-39.2	176.2	-176.2	0	0	0	0	113	R111 E112 A113 K119	R111-S115 PolarHBondContact O-N 3.28Å; E112-S115 WeakPolarHBondContact O-CB 3.43Å; E112-S115 PolarHBondContact O-N 3.43Å; A113-S115 VanDerWaalsContact C-N 3.28Å; A113-S115 PolarHBondContact O-N 3.12Å; S115-K119 WeakPolarHBondContact O-CG 3.39Å; S115-K119 PolarHBondContact O-N 2.69Å
116	L	93.8	Very high	94.1	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-70.8	-36.9	176.9	-63.8	-178	0	0	0	112.8	E112 A113 E114 K119 K120 I121 I126 V434 A435 S438	E112-L116 WeakPolarHBondContact O-CG 3.3Å; E112-L116 PolarHBondContact O-N 2.93Å; E112-L116 VanDerWaalsContact O-N 3.08Å; A113-L116 PolarHBondContact O-N 2.82Å; A113-L116 VanDerWaalsContact O-N 3.16Å; E114-L116 PolarHBondContact O-N 3.04Å; L116-K119 CarbonylContact O-C 3.49Å; L116-K119 WeakPolarHBondContact O-CA 3.3Å; L116-K119 WeakPolarHBondContact O-CB 3.49Å; L116-K119 PolarHBondContact O-N 2.96Å; L116-K120 PolarHBondContact O-N 2.99Å; L116-I121 HydrophobicContact CB-CD1 4.33Å; L116-I121 HydrophobicContact CD2-CD1 4.06Å; L116-I121 WeakPolarHBondContact O-CB 3.39Å; L116-I121 PolarHBondContact O-N 3.17Å; L116-I121 VanDerWaalsContact O-N 3.15Å; L116-I126 HydrophobicContact CB-CD1 3.59Å; L116-I126 HydrophobicContact CB-CG1 4.19Å; L116-I126 HydrophobicContact CD1-CD1 4.12Å; L116-I126 HydrophobicContact CD1-CG1 3.98Å; L116-I126 HydrophobicContact CD1-CG2 3.97Å; L116-V434 HydrophobicContact CD2-CG1 3.7Å; L116-A435 HydrophobicContact CD1-CB 4.14Å; L116-S438 WeakPolarHBondContact CD1-OG 3.49Å
117	I	92.1	Very high	94.1	Very high	37 Å²	37	46.4 Å²	46.4	19%	0.19	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-39.9	175.7	-71.4	163.1	0	0	0	110.2	F29 A113 E114 K119 K120 P123 I126 L515	F29-I117 HydrophobicContact CE2-CD1 3.54Å; F29-I117 HydrophobicContact CZ-CD1 3.36Å; A113-I117 WeakPolarHBondContact O-CB 3.36Å; A113-I117 WeakPolarHBondContact O-CG1 3.19Å; A113-I117 PolarHBondContact O-N 2.87Å; E114-I117 PolarHBondContact O-N 2.82Å; I117-K119 PolarHBondContact O-N 2.76Å; I117-K120 WeakPolarHBondContact O-CA 3.24Å; I117-K120 PolarHBondContact O-N 3.11Å; I117-P123 HydrophobicContact CD1-CG 4.41Å; I117-P123 HydrophobicContact CG1-CG 4.49Å; I117-I126 HydrophobicContact CG1-CD1 3.9Å; I117-L515 HydrophobicContact CD1-CD1 3.78Å
118	A	91.2	Very high	94	Very high	82 Å²	82	47.9 Å²	47.9	68%	0.678	25%	0.246	S	C	*	.	H	α-helix	trans	-59.1	-31.9	172.4	0	0	0	0	0	112.2	E114 K120	E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 3.3Å; A118-K120 PolarHBondContact O-N 3.02Å
119	K	91.7	Very high	94	Very high	127 Å²	127	47.7 Å²	47.7	55%	0.552	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	9	171.2	-66	172.6	-173.7	174.1	0	114.2	S115 L116 I117 I121	S115-K119 WeakPolarHBondContact O-CG 3.39Å; S115-K119 PolarHBondContact O-N 2.69Å; L116-K119 CarbonylContact O-C 3.49Å; L116-K119 WeakPolarHBondContact O-CA 3.3Å; L116-K119 WeakPolarHBondContact O-CB 3.49Å; L116-K119 PolarHBondContact O-N 2.96Å; I117-K119 PolarHBondContact O-N 2.76Å; K119-I121 VanDerWaalsContact C-N 3.35Å; K119-I121 PolarHBondContact O-N 3.12Å
120	K	91.2	Very high	94	Very high	182 Å²	182	48 Å²	48	79%	0.791	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	33.9	178.7	-53.1	-179.5	177.4	-178.9	0	114	L116 I117 A118	L116-K120 PolarHBondContact O-N 2.99Å; I117-K120 WeakPolarHBondContact O-CA 3.24Å; I117-K120 PolarHBondContact O-N 3.11Å; A118-K120 PolarHBondContact O-N 3.02Å
121	I	92.7	Very high	94	Very high	16 Å²	16	53.2 Å²	53.2	8%	0.082	27%	0.266	C	S	.	.			trans	-86.8	131.9	168.8	-55.4	-179.7	0	0	0	108.6	L116 K119 T125 I126 K431 V434	L116-I121 HydrophobicContact CB-CD1 4.33Å; L116-I121 HydrophobicContact CD2-CD1 4.06Å; L116-I121 WeakPolarHBondContact O-CB 3.39Å; L116-I121 PolarHBondContact O-N 3.17Å; L116-I121 VanDerWaalsContact O-N 3.15Å; K119-I121 VanDerWaalsContact C-N 3.35Å; K119-I121 PolarHBondContact O-N 3.12Å; I121-T125 HydrophobicContact CG2-CG2 4.39Å; I121-I126 HydrophobicContact CB-CD1 4.45Å; I121-I126 HydrophobicContact CB-CG1 4.34Å; I121-I126 HydrophobicContact CG2-CD1 4.36Å; I121-I126 HydrophobicContact CG2-CG1 3.74Å; I121-K431 HydrophobicContact CG2-CB 4.47Å; I121-V434 HydrophobicContact CD1-CB 4.35Å; I121-V434 HydrophobicContact CD1-CG1 4.2Å
122	H	93.1	Very high	94	Very high	125 Å²	125	53.3 Å²	53.3	58%	0.579	27%	0.27	S	S	*	.			trans	-68	135.8	-178.9	-170.3	-86.7	0	0	0	110.7	Q124 T125 I126	H122-Q124 VanDerWaalsContact C-N 3.25Å; H122-Q124 VanDerWaalsContact ND1-CB 3.33Å; H122-Q124 WeakPolarHBondContact ND1-CB 3.41Å; H122-Q124 PolarHBondContact ND1-N 3.39Å; H122-Q124 VanDerWaalsContact ND1-N 3.16Å; H122-Q124 PolarHBondContact O-N 3.47Å; H122-Q124 VanDerWaalsContact O-N 3.15Å; H122-T125 WeakPolarHBondContact O-CB 3.46Å; H122-T125 PolarHBondContact O-N 3.06Å; H122-I126 PolarHBondContact O-N 3.28Å
123	P	93	Very high	94	Very high	22 Å²	22	51.6 Å²	51.6	14%	0.143	26%	0.262	C	S	.	.	H	α-helix	trans	-51.2	-40.8	-178.7	-30	35.9	0	0	0	114	I117 T125 I126 I127 L515	I117-P123 HydrophobicContact CD1-CG 4.41Å; I117-P123 HydrophobicContact CG1-CG 4.49Å; P123-T125 VanDerWaalsContact C-N 3.28Å; P123-T125 PolarHBondContact O-N 2.95Å; P123-I126 WeakPolarHBondContact O-CB 3.45Å; P123-I126 PolarHBondContact O-N 3.08Å; P123-I126 VanDerWaalsContact O-N 3.1Å; P123-I127 WeakPolarHBondContact O-CG1 3.5Å; P123-I127 PolarHBondContact O-N 3.38Å; P123-L515 HydrophobicContact CB-CD1 3.95Å; P123-L515 HydrophobicContact CB-CG 4.04Å
124	Q	93.8	Very high	94.1	Very high	94 Å²	94	52.3 Å²	52.3	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-32.3	177.8	-165.6	61.1	25.6	0	0	113.9	H122 A128	H122-Q124 VanDerWaalsContact C-N 3.25Å; H122-Q124 VanDerWaalsContact ND1-CB 3.33Å; H122-Q124 WeakPolarHBondContact ND1-CB 3.41Å; H122-Q124 PolarHBondContact ND1-N 3.39Å; H122-Q124 VanDerWaalsContact ND1-N 3.16Å; H122-Q124 PolarHBondContact O-N 3.47Å; H122-Q124 VanDerWaalsContact O-N 3.15Å; Q124-A128 PolarHBondContact O-N 2.92Å
125	T	94.6	Very high	94.3	Very high	40 Å²	40	53.2 Å²	53.2	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-73.5	-35.3	175.8	-53.3	0	0	0	0	111.1	I121 H122 P123 A128 G129 K431 E432	I121-T125 HydrophobicContact CG2-CG2 4.39Å; H122-T125 WeakPolarHBondContact O-CB 3.46Å; H122-T125 PolarHBondContact O-N 3.06Å; P123-T125 VanDerWaalsContact C-N 3.28Å; P123-T125 PolarHBondContact O-N 2.95Å; T125-A128 PolarHBondContact O-N 3.48Å; T125-G129 PolarHBondContact O-N 2.93Å; T125-G129 VanDerWaalsContact O-N 3.09Å; T125-K431 HydrophobicContact CG2-CB 3.86Å; T125-E432 HydrophobicContact CG2-CG 3.91Å
126	I	95.4	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-47.1	173.5	-58.6	170.5	0	0	0	109.5	L116 I117 I121 H122 P123 A128 G129 W130 A435 L515	L116-I126 HydrophobicContact CB-CD1 3.59Å; L116-I126 HydrophobicContact CB-CG1 4.19Å; L116-I126 HydrophobicContact CD1-CD1 4.12Å; L116-I126 HydrophobicContact CD1-CG1 3.98Å; L116-I126 HydrophobicContact CD1-CG2 3.97Å; I117-I126 HydrophobicContact CG1-CD1 3.9Å; I121-I126 HydrophobicContact CB-CD1 4.45Å; I121-I126 HydrophobicContact CB-CG1 4.34Å; I121-I126 HydrophobicContact CG2-CD1 4.36Å; I121-I126 HydrophobicContact CG2-CG1 3.74Å; H122-I126 PolarHBondContact O-N 3.28Å; P123-I126 WeakPolarHBondContact O-CB 3.45Å; P123-I126 PolarHBondContact O-N 3.08Å; P123-I126 VanDerWaalsContact O-N 3.1Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.26Å; I126-G129 PolarHBondContact O-N 3.46Å; I126-W130 HydrophobicContact CG2-CD2 3.84Å; I126-W130 HydrophobicContact CG2-CE3 4.26Å; I126-W130 HydrophobicContact CG2-CG 4.34Å; I126-W130 HydrophobicContact CG2-CH2 4.26Å; I126-W130 HydrophobicContact CG2-CZ2 3.81Å; I126-W130 HydrophobicContact CG2-CZ3 4.43Å; I126-W130 WeakPolarHBondContact O-CB 3.23Å; I126-W130 PolarHBondContact O-N 2.96Å; I126-A435 HydrophobicContact CB-CB 4.44Å; I126-A435 HydrophobicContact CG2-CB 4.27Å; I126-L515 HydrophobicContact CB-CD2 3.92Å; I126-L515 HydrophobicContact CG2-CD2 3.65Å
127	I	95.6	Very high	94.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-44.6	176.3	-66.4	167.4	0	0	0	111.3	P123 W130 R131 E512 L515 R516	P123-I127 WeakPolarHBondContact O-CG1 3.5Å; P123-I127 PolarHBondContact O-N 3.38Å; I127-W130 PolarHBondContact O-N 2.89Å; I127-R131 HydrophobicContact CG2-CG 4.4Å; I127-R131 VanDerWaalsContact O-CG 3.31Å; I127-R131 WeakPolarHBondContact O-CG 3.38Å; I127-R131 PolarHBondContact O-N 3.23Å; I127-E512 HydrophobicContact CD1-CG 4.29Å; I127-E512 HydrophobicContact CG1-CG 4.25Å; I127-E512 HydrophobicContact CG2-CG 3.7Å; I127-L515 HydrophobicContact CD1-CB 4.37Å; I127-L515 HydrophobicContact CD1-CD2 4.28Å; I127-L515 HydrophobicContact CD1-CG 4.18Å; I127-L515 HydrophobicContact CG1-CB 4.35Å; I127-L515 HydrophobicContact CG1-CD2 3.56Å; I127-L515 HydrophobicContact CG1-CG 4Å; I127-R516 HydrophobicContact CD1-CG 3.51Å
128	A	95	Very high	94.7	Very high	30 Å²	30	54.3 Å²	54.3	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-47.8	177.8	0	0	0	0	0	111.8	Q124 T125 I126 W130 R131 E132	Q124-A128 PolarHBondContact O-N 2.92Å; T125-A128 PolarHBondContact O-N 3.48Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.26Å; A128-W130 PolarHBondContact O-N 3.48Å; A128-R131 PolarHBondContact O-N 3.47Å; A128-E132 PolarHBondContact O-N 3.26Å
129	G	95.2	Very high	94.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-39.5	176.4	0	0	0	0	0	113.4	T125 I126 E132 A133 M436	T125-G129 PolarHBondContact O-N 2.93Å; T125-G129 VanDerWaalsContact O-N 3.09Å; I126-G129 PolarHBondContact O-N 3.46Å; G129-E132 PolarHBondContact O-N 3.48Å; G129-A133 WeakPolarHBondContact O-CB 3.26Å; G129-A133 PolarHBondContact O-N 3.41Å; G129-M436 WeakPolarHBondContact O-CG 3.39Å
130	W	96.6	Very high	95.1	Very high	8 Å²	8	50.8 Å²	50.8	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-37	177.4	-74.9	-2.2	0	0	0	113.4	L109 A113 I126 I127 A128 E132 A133 T134 A435 S438 Y439 A511 L515	L109-W130 HydrophobicContact CB-CH2 3.95Å; L109-W130 HydrophobicContact CB-CZ2 4.3Å; L109-W130 HydrophobicContact CB-CZ3 4.4Å; L109-W130 HydrophobicContact CD2-CZ2 4.28Å; L109-W130 WeakPolarHBondContact O-CH2 3.2Å; L109-W130 VanDerWaalsContact O-CZ2 3.24Å; L109-W130 WeakPolarHBondContact O-CZ2 3.25Å; A113-W130 HydrophobicContact CB-CH2 3.52Å; A113-W130 HydrophobicContact CB-CZ2 3.88Å; A113-W130 HydrophobicContact CB-CZ3 4.48Å; I126-W130 HydrophobicContact CG2-CD2 3.84Å; I126-W130 HydrophobicContact CG2-CE3 4.26Å; I126-W130 HydrophobicContact CG2-CG 4.34Å; I126-W130 HydrophobicContact CG2-CH2 4.26Å; I126-W130 HydrophobicContact CG2-CZ2 3.81Å; I126-W130 HydrophobicContact CG2-CZ3 4.43Å; I126-W130 WeakPolarHBondContact O-CB 3.23Å; I126-W130 PolarHBondContact O-N 2.96Å; I127-W130 PolarHBondContact O-N 2.89Å; A128-W130 PolarHBondContact O-N 3.48Å; W130-E132 VanDerWaalsContact C-N 3.33Å; W130-E132 PolarHBondContact O-N 3.48Å; W130-A133 CarbonylContact O-C 3.58Å; W130-A133 WeakPolarHBondContact O-CB 3.25Å; W130-A133 PolarHBondContact O-N 3.49Å; W130-T134 PolarHBondContact O-N 3.24Å; W130-T134 PolarHBondContact O-OG1 2.94Å; W130-A435 PolarHBondContact NE1-O 2.98Å; W130-A435 VanDerWaalsContact NE1-O 3.15Å; W130-S438 PolarHBondContact NE1-OG 3.38Å; W130-S438 VanDerWaalsContact NE1-OG 3.16Å; W130-Y439 HydrophobicContact CB-CD2 4.05Å; W130-Y439 HydrophobicContact CB-CE2 4.45Å; W130-Y439 AromaticContact CD1-CD2 3.72Å; W130-Y439 HydrophobicContact CD2-CD2 4.28Å; W130-Y439 AromaticContact CG-CD2 3.77Å; W130-Y439 HydrophobicContact CG-CD2 3.77Å; W130-A511 HydrophobicContact CE3-CB 4.32Å; W130-A511 HydrophobicContact CH2-CB 4.43Å; W130-A511 HydrophobicContact CZ3-CB 3.69Å; W130-L515 HydrophobicContact CE3-CD2 4.07Å; W130-L515 HydrophobicContact CH2-CD2 4.22Å; W130-L515 HydrophobicContact CZ3-CD2 3.69Å
131	R	96.2	Very high	95.3	Very high	108 Å²	108	42.1 Å²	42.1	41%	0.408	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-42.3	176	-76.4	167.3	168	-157.3	-11.5	112.3	I127 A128 K135 E512	I127-R131 HydrophobicContact CG2-CG 4.4Å; I127-R131 VanDerWaalsContact O-CG 3.31Å; I127-R131 WeakPolarHBondContact O-CG 3.38Å; I127-R131 PolarHBondContact O-N 3.23Å; A128-R131 PolarHBondContact O-N 3.47Å; R131-K135 WeakPolarHBondContact O-CG 3.24Å; R131-K135 PolarHBondContact O-N 2.92Å; R131-K135 VanDerWaalsContact O-N 3.16Å; R131-E512 IonicContact CZ-OE1 3.28Å; R131-E512 VanDerWaalsContact CZ-OE1 3.28Å; R131-E512 IonicContact CZ-OE2 3.67Å; R131-E512 IonicContact NE-OE1 3.24Å; R131-E512 PolarHBondContact NE-OE1 3Å; R131-E512 IonicContact NE-OE2 2.88Å; R131-E512 PolarHBondContact NE-OE2 3.17Å; R131-E512 IonicContact NH2-OE1 2.62Å; R131-E512 PolarHBondContact NH2-OE1 3.1Å; R131-E512 IonicContact NH2-OE2 3.59Å
132	E	95.5	Very high	95.3	Very high	79 Å²	79	44.9 Å²	44.9	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-69.7	-37.8	175.1	-65.7	-52.3	129	0	0	111.5	A128 G129 W130 K135 A136 M436	A128-E132 PolarHBondContact O-N 3.26Å; G129-E132 PolarHBondContact O-N 3.48Å; W130-E132 VanDerWaalsContact C-N 3.33Å; W130-E132 PolarHBondContact O-N 3.48Å; E132-K135 PolarHBondContact O-N 3.14Å; E132-K135 IonicContact OE1-NZ 2.7Å; E132-K135 PolarHBondContact OE1-NZ 2.86Å; E132-K135 IonicContact OE2-NZ 3.65Å; E132-A136 PolarHBondContact O-N 2.97Å; E132-M436 HydrophobicContact CB-CE 3.46Å; E132-M436 VanDerWaalsContact CB-CE 3.46Å; E132-M436 HydrophobicContact CG-CE 4.29Å
133	A	96.6	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-44.5	172.2	0	0	0	0	0	112.5	G129 W130 K135 A136 A137 V421 M436 Y439	G129-A133 WeakPolarHBondContact O-CB 3.26Å; G129-A133 PolarHBondContact O-N 3.41Å; W130-A133 CarbonylContact O-C 3.58Å; W130-A133 WeakPolarHBondContact O-CB 3.25Å; W130-A133 PolarHBondContact O-N 3.49Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3.43Å; A133-A136 PolarHBondContact O-N 2.9Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.38Å; A133-V421 HydrophobicContact CB-CG1 3.66Å; A133-V421 HydrophobicContact CB-CG2 4.13Å; A133-V421 WeakPolarHBondContact O-CG2 3.13Å; A133-M436 HydrophobicContact CB-CG 4.26Å; A133-Y439 HydrophobicContact CB-CD1 3.71Å; A133-Y439 HydrophobicContact CB-CD2 4.2Å; A133-Y439 HydrophobicContact CB-CE1 4.3Å; A133-Y439 HydrophobicContact CB-CG 3.65Å
134	T	96.6	Very high	95.3	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-39.2	177.6	-58.7	0	0	0	0	111.7	W130 R138 Y439 L504 L505 A508	W130-T134 PolarHBondContact O-N 3.24Å; W130-T134 PolarHBondContact O-OG1 2.94Å; T134-R138 VanDerWaalsContact O-CB 3.27Å; T134-R138 WeakPolarHBondContact O-CB 3.28Å; T134-R138 PolarHBondContact O-N 3.28Å; T134-Y439 PolarHBondContact OG1-OH 3.25Å; T134-L504 HydrophobicContact CG2-CD2 4.49Å; T134-L504 HydrophobicContact CG2-CG 4.32Å; T134-L505 HydrophobicContact CG2-CD2 4Å; T134-A508 HydrophobicContact CG2-CB 3.94Å; T134-A508 WeakPolarHBondContact OG1-CB 3.48Å
135	K	96.5	Very high	95.2	Very high	95 Å²	95	41 Å²	41	41%	0.413	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-49.6	174.4	-71.6	172.3	-173.2	170.5	0	111.4	R131 E132 A133 A137 R138 E139	R131-K135 WeakPolarHBondContact O-CG 3.24Å; R131-K135 PolarHBondContact O-N 2.92Å; R131-K135 VanDerWaalsContact O-N 3.16Å; E132-K135 PolarHBondContact O-N 3.14Å; E132-K135 IonicContact OE1-NZ 2.7Å; E132-K135 PolarHBondContact OE1-NZ 2.86Å; E132-K135 IonicContact OE2-NZ 3.65Å; A133-K135 VanDerWaalsContact C-N 3.33Å; A133-K135 PolarHBondContact O-N 3.43Å; K135-A137 PolarHBondContact O-N 3.35Å; K135-R138 PolarHBondContact O-N 3.15Å; K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 2.63Å
136	A	96.2	Very high	95.1	Very high	16 Å²	16	41.5 Å²	41.5	13%	0.132	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-42.6	179.5	0	0	0	0	0	112.6	E132 A133 E139 A140 L424	E132-A136 PolarHBondContact O-N 2.97Å; A133-A136 PolarHBondContact O-N 2.9Å; A136-E139 PolarHBondContact O-N 2.68Å; A136-A140 WeakPolarHBondContact O-CB 3.26Å; A136-A140 PolarHBondContact O-N 3.26Å; A136-L424 HydrophobicContact CB-CD2 3.73Å
137	A	96.6	Very high	94.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-44.7	174.6	0	0	0	0	0	111.5	A133 K135 E139 A140 L141 M417 V421 Y439 L504	A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.38Å; K135-A137 PolarHBondContact O-N 3.35Å; A137-E139 PolarHBondContact O-N 3.25Å; A137-A140 PolarHBondContact O-N 3.07Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.93Å; A137-M417 HydrophobicContact CB-CB 3.88Å; A137-M417 HydrophobicContact CB-CG 4.01Å; A137-M417 HydrophobicContact CB-SD 4.05Å; A137-M417 WeakPolarHBondContact O-CG 3.49Å; A137-V421 HydrophobicContact CB-CG2 3.95Å; A137-Y439 HydrophobicContact CB-CE1 4.48Å; A137-L504 HydrophobicContact CB-CD1 3.9Å; A137-L504 HydrophobicContact CB-CD2 3.78Å; A137-L504 HydrophobicContact CB-CG 4.48Å
138	R	95.8	Very high	94.4	Very high	98 Å²	98	48.1 Å²	48.1	37%	0.37	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-42.1	177.8	-173.2	-175.1	73	-179.4	3.4	112.2	T134 K135 L141 L142 L504	T134-R138 VanDerWaalsContact O-CB 3.27Å; T134-R138 WeakPolarHBondContact O-CB 3.28Å; T134-R138 PolarHBondContact O-N 3.28Å; K135-R138 PolarHBondContact O-N 3.15Å; R138-L141 PolarHBondContact O-N 3.39Å; R138-L142 HydrophobicContact CG-CD1 4.2Å; R138-L142 WeakPolarHBondContact O-CB 3.39Å; R138-L142 WeakPolarHBondContact O-CG 3.5Å; R138-L142 PolarHBondContact O-N 3.03Å; R138-L504 HydrophobicContact CB-CD2 3.96Å
139	E	96.1	Very high	93.8	Very high	122 Å²	122	48.5 Å²	48.5	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-64.5	-42.3	176.8	-75.2	172.8	-171.4	0	0	111.6	K135 A136 A137 L142 S143	K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 2.63Å; A136-E139 PolarHBondContact O-N 2.68Å; A137-E139 PolarHBondContact O-N 3.25Å; E139-L142 PolarHBondContact O-N 2.91Å; E139-S143 WeakPolarHBondContact O-CB 3.44Å; E139-S143 PolarHBondContact O-N 3.39Å; E139-S143 PolarHBondContact O-OG 3.39Å
140	A	94.9	Very high	93.3	Very high	13 Å²	13	54.3 Å²	54.3	11%	0.107	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-46.2	175.1	0	0	0	0	0	111.1	A136 A137 L142 S143 S144 L416 A420	A136-A140 WeakPolarHBondContact O-CB 3.26Å; A136-A140 PolarHBondContact O-N 3.26Å; A137-A140 PolarHBondContact O-N 3.07Å; A140-L142 PolarHBondContact O-N 3.49Å; A140-S143 PolarHBondContact O-N 3.12Å; A140-S143 PolarHBondContact O-OG 3.04Å; A140-S144 PolarHBondContact O-N 3.45Å; A140-S144 PolarHBondContact O-OG 3.39Å; A140-L416 HydrophobicContact CB-CD2 3.56Å; A140-A420 HydrophobicContact CB-CB 3.55Å
141	L	94.7	Very high	92.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-41.6	176.5	-171.7	71.5	0	0	0	112.5	A137 R138 S143 S144 A145 V407 M417 F497 K500 R501	A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 2.93Å; R138-L141 PolarHBondContact O-N 3.39Å; L141-S143 VanDerWaalsContact C-N 3.32Å; L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-N 3.5Å; L141-S144 PolarHBondContact O-OG 3.34Å; L141-A145 PolarHBondContact O-N 3.39Å; L141-V407 HydrophobicContact CD1-CB 4.42Å; L141-V407 HydrophobicContact CD1-CG1 3.97Å; L141-V407 HydrophobicContact CD1-CG2 4.45Å; L141-V407 HydrophobicContact CG-CG1 4.48Å; L141-M417 HydrophobicContact CB-CG 4.37Å; L141-M417 HydrophobicContact CB-SD 4.19Å; L141-M417 HydrophobicContact CD1-SD 4.46Å; L141-M417 HydrophobicContact CD2-SD 4.46Å; L141-F497 HydrophobicContact CB-CE2 4.45Å; L141-F497 HydrophobicContact CD2-CD2 4.2Å; L141-F497 HydrophobicContact CD2-CE2 3.89Å; L141-F497 HydrophobicContact CG-CD2 4.02Å; L141-F497 HydrophobicContact CG-CE2 3.79Å; L141-K500 HydrophobicContact CD1-CB 4.12Å; L141-K500 HydrophobicContact CD2-CB 3.81Å; L141-R501 HydrophobicContact CD2-CB 4.13Å
142	L	94.6	Very high	92.5	Very high	74 Å²	74	59.7 Å²	59.7	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-39.3	175	-81	164.5	0	0	0	111.8	R138 E139 A140 S144 A145 F497	R138-L142 HydrophobicContact CG-CD1 4.2Å; R138-L142 WeakPolarHBondContact O-CB 3.39Å; R138-L142 WeakPolarHBondContact O-CG 3.5Å; R138-L142 PolarHBondContact O-N 3.03Å; E139-L142 PolarHBondContact O-N 2.91Å; A140-L142 PolarHBondContact O-N 3.49Å; L142-S144 VanDerWaalsContact C-N 3.34Å; L142-A145 PolarHBondContact O-N 3.12Å; L142-F497 HydrophobicContact CD2-CE1 3.99Å; L142-F497 HydrophobicContact CD2-CE2 3.86Å; L142-F497 HydrophobicContact CD2-CZ 3.25Å; L142-F497 HydrophobicContact CG-CE2 4.09Å; L142-F497 HydrophobicContact CG-CZ 3.78Å
143	S	93.7	Very high	92.2	Very high	102 Å²	102	61.6 Å²	61.6	71%	0.713	35%	0.349	S	S	*	.	H	α-helix	trans	-71.9	-27.7	-179.9	72	0	0	0	0	113.6	E139 A140 L141	E139-S143 WeakPolarHBondContact O-CB 3.44Å; E139-S143 PolarHBondContact O-N 3.39Å; E139-S143 PolarHBondContact O-OG 3.39Å; A140-S143 PolarHBondContact O-N 3.12Å; A140-S143 PolarHBondContact O-OG 3.04Å; L141-S143 VanDerWaalsContact C-N 3.32Å
144	S	91.4	Very high	91.8	Very high	32 Å²	32	66.9 Å²	66.9	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-86.2	-9.6	177	59.4	0	0	0	0	113.8	A140 L141 L142	A140-S144 PolarHBondContact O-N 3.45Å; A140-S144 PolarHBondContact O-OG 3.39Å; L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-N 3.5Å; L141-S144 PolarHBondContact O-OG 3.34Å; L142-S144 VanDerWaalsContact C-N 3.34Å
145	A	92.5	Very high	91.5	Very high	25 Å²	25	67.4 Å²	67.4	21%	0.207	37%	0.373	C	S	.	.			trans	-70.3	133	-176.5	0	0	0	0	0	111.3	L141 L142 R405 T406 V407 F497	L141-A145 PolarHBondContact O-N 3.39Å; L142-A145 PolarHBondContact O-N 3.12Å; A145-R405 HydrophobicContact CB-CB 4.4Å; A145-T406 WeakPolarHBondContact CA-O 3.5Å; A145-V407 HydrophobicContact CB-CG1 4.12Å; A145-F497 HydrophobicContact CB-CD2 3.87Å; A145-F497 HydrophobicContact CB-CE2 4.42Å; A145-F497 HydrophobicContact CB-CG 4.33Å
146	V	91.2	Very high	91.3	Very high	51 Å²	51	67.2 Å²	67.2	31%	0.309	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.7	176.7	-175.6	0	0	0	0	108.7	H148 R405 T406	V146-H148 WeakPolarHBondContact CG1-CE1 3.39Å; V146-H148 WeakPolarHBondContact CG1-NE2 3.35Å; V146-R405 CarbonylContact O-C 3.58Å; V146-R405 WeakPolarHBondContact O-CA 3.48Å; V146-T406 PolarHBondContact N-O 3.09Å; V146-T406 PolarHBondContact O-N 2.65Å; V146-T406 PolarHBondContact O-OG1 3.02Å
147	D	91.4	Very high	91.1	Very high	90 Å²	90	71.2 Å²	71.2	48%	0.481	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.2	178.3	-170.9	-0.4	0	0	0	110.2	G149 S404 R405	D147-G149 PolarHBondContact OD1-N 2.81Å; D147-S404 VanDerWaalsContact OD1-CB 3.25Å; D147-S404 WeakPolarHBondContact OD1-CB 3.36Å; D147-S404 PolarHBondContact OD1-OG 2.79Å; D147-R405 HydrophobicContact CB-CG 4.04Å
148	H	86	Confident	90.8	Very high	52 Å²	52	71.9 Å²	71.9	24%	0.241	39%	0.389	C	S	.	.			trans	-114.1	14.8	175.6	-62.6	130.6	0	0	0	112.8	V146 S150 D151 K154 D158	V146-H148 WeakPolarHBondContact CG1-CE1 3.39Å; V146-H148 WeakPolarHBondContact CG1-NE2 3.35Å; H148-S150 PolarHBondContact O-N 3.08Å; H148-D151 PolarHBondContact O-N 2.66Å; H148-K154 HydrophobicContact CB-CB 4.17Å; H148-D158 WeakPolarHBondContact CB-OD2 3.35Å; H148-D158 IonicContact CE1-OD2 2.68Å; H148-D158 IonicContact CG-OD2 3.61Å; H148-D158 IonicContact ND1-OD1 3.25Å; H148-D158 IonicContact ND1-OD2 3.59Å; H148-D158 PolarHBondContact ND1-OD2 2.56Å
149	G	81.4	Confident	90.7	Very high	38 Å²	38	67.2 Å²	67.2	39%	0.392	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.8	-175.1	0	0	0	0	0	115.2	D147	D147-G149 PolarHBondContact OD1-N 2.81Å
150	S	84.4	Confident	90.6	Very high	122 Å²	122	63.2 Å²	63.2	85%	0.853	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-19.9	176.8	59.2	0	0	0	0	115	H148	H148-S150 PolarHBondContact O-N 3.08Å
151	D	88.8	Confident	90.5	Very high	58 Å²	58	64.2 Å²	64.2	31%	0.31	36%	0.357	S	S	.	.			trans	-112.7	101.7	-176.5	-176.5	-15	0	0	0	109.5	H148 V153 K154 F155	H148-D151 PolarHBondContact O-N 2.66Å; D151-V153 PolarHBondContact O-N 3.33Å; D151-V153 PolarHBondContact OD1-N 3.02Å; D151-K154 HydrophobicContact CB-CB 4.18Å; D151-K154 HydrophobicContact CB-CD 4.37Å; D151-K154 HydrophobicContact CB-CG 4.43Å; D151-K154 PolarHBondContact O-N 3.21Å; D151-K154 PolarHBondContact OD1-N 2.97Å; D151-K154 VanDerWaalsContact OD2-CD 3.23Å; D151-K154 WeakPolarHBondContact OD2-CD 3.24Å; D151-K154 VanDerWaalsContact OD2-CE 3.31Å; D151-K154 WeakPolarHBondContact OD2-CE 3.27Å; D151-K154 WeakPolarHBondContact OD2-CG 3.23Å; D151-K154 IonicContact OD2-NZ 2.92Å; D151-F155 VanDerWaalsContact O-CB 3.24Å; D151-F155 WeakPolarHBondContact O-CB 3.31Å; D151-F155 PolarHBondContact O-N 3.06Å
152	E	86.8	Confident	90.4	Very high	171 Å²	171	64.3 Å²	64.3	80%	0.799	36%	0.357	S	S	*	.	H	α-helix	trans	-56.5	-34.4	-175.4	-67	-174.8	174.6	0	0	113.3	R156	E152-R156 VanDerWaalsContact O-CB 3.3Å; E152-R156 WeakPolarHBondContact O-CB 3.08Å; E152-R156 PolarHBondContact O-N 3.33Å
153	V	90.3	Very high	90.4	Very high	118 Å²	118	60.8 Å²	60.8	72%	0.715	34%	0.339	S	S	*	.	H	α-helix	trans	-72.8	-46.1	-176.9	-179.6	0	0	0	0	110.3	D151 Q157	D151-V153 PolarHBondContact O-N 3.33Å; D151-V153 PolarHBondContact OD1-N 3.02Å; V153-Q157 PolarHBondContact O-N 3.05Å
154	K	88.7	Confident	90.3	Very high	112 Å²	112	56.6 Å²	56.6	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-68.5	-42.3	176.5	-69.9	-176.6	-173	174.9	0	111.5	H148 D151 R156 Q157 D158	H148-K154 HydrophobicContact CB-CB 4.17Å; D151-K154 HydrophobicContact CB-CB 4.18Å; D151-K154 HydrophobicContact CB-CD 4.37Å; D151-K154 HydrophobicContact CB-CG 4.43Å; D151-K154 PolarHBondContact O-N 3.21Å; D151-K154 PolarHBondContact OD1-N 2.97Å; D151-K154 VanDerWaalsContact OD2-CD 3.23Å; D151-K154 WeakPolarHBondContact OD2-CD 3.24Å; D151-K154 VanDerWaalsContact OD2-CE 3.31Å; D151-K154 WeakPolarHBondContact OD2-CE 3.27Å; D151-K154 WeakPolarHBondContact OD2-CG 3.23Å; D151-K154 IonicContact OD2-NZ 2.92Å; K154-R156 VanDerWaalsContact C-N 3.31Å; K154-R156 PolarHBondContact O-N 2.92Å; K154-Q157 CarbonylContact O-C 3.6Å; K154-Q157 WeakPolarHBondContact O-CA 3.45Å; K154-Q157 WeakPolarHBondContact O-CB 3.35Å; K154-Q157 PolarHBondContact O-N 3.39Å; K154-D158 PolarHBondContact O-N 2.82Å
155	F	90	Very high	90.3	Very high	27 Å²	27	56.6 Å²	56.6	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-40.7	177.8	-173	-116.3	0	0	0	111.7	D151 Q157 D158 L159 T400 V401	D151-F155 VanDerWaalsContact O-CB 3.24Å; D151-F155 WeakPolarHBondContact O-CB 3.31Å; D151-F155 PolarHBondContact O-N 3.06Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 3.27Å; F155-D158 WeakPolarHBondContact O-CB 3.46Å; F155-D158 PolarHBondContact O-N 2.93Å; F155-L159 HydrophobicContact CD1-CD1 4.07Å; F155-L159 HydrophobicContact CD1-CG 4.43Å; F155-L159 HydrophobicContact CE1-CD1 3.72Å; F155-L159 HydrophobicContact CE1-CD2 4.34Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CE2-CD2 4.38Å; F155-L159 HydrophobicContact CE2-CG 4.49Å; F155-L159 HydrophobicContact CZ-CD1 4.19Å; F155-L159 HydrophobicContact CZ-CD2 3.95Å; F155-L159 HydrophobicContact CZ-CG 4.15Å; F155-L159 WeakPolarHBondContact O-CG 3.47Å; F155-L159 PolarHBondContact O-N 3.17Å; F155-T400 HydrophobicContact CE2-CG2 4.26Å; F155-T400 HydrophobicContact CZ-CG2 4.49Å; F155-V401 HydrophobicContact CE1-CG2 4.37Å; F155-V401 HydrophobicContact CZ-CG2 4.43Å
156	R	91.3	Very high	90.3	Very high	90 Å²	90	55.8 Å²	55.8	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-39.4	172.9	-176.2	177.6	174.6	100.7	0.9	112.1	E152 K154 L159 M160 V184 E185 L188	E152-R156 VanDerWaalsContact O-CB 3.3Å; E152-R156 WeakPolarHBondContact O-CB 3.08Å; E152-R156 PolarHBondContact O-N 3.33Å; K154-R156 VanDerWaalsContact C-N 3.31Å; K154-R156 PolarHBondContact O-N 2.92Å; R156-L159 PolarHBondContact O-N 3.03Å; R156-M160 HydrophobicContact CG-CE 4.35Å; R156-M160 WeakPolarHBondContact O-CG 3.44Å; R156-M160 PolarHBondContact O-N 3.35Å; R156-V184 HydrophobicContact CG-CG1 4.34Å; R156-E185 IonicContact NH2-OE1 2.66Å; R156-L188 HydrophobicContact CG-CD1 4.44Å
157	Q	92.2	Very high	90.2	Very high	100 Å²	100	53.4 Å²	53.4	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-40.6	175.7	-173.8	61	45	0	0	111.7	V153 K154 F155 M160 N161	V153-Q157 PolarHBondContact O-N 3.05Å; K154-Q157 CarbonylContact O-C 3.6Å; K154-Q157 WeakPolarHBondContact O-CA 3.45Å; K154-Q157 WeakPolarHBondContact O-CB 3.35Å; K154-Q157 PolarHBondContact O-N 3.39Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 3.27Å; Q157-M160 WeakPolarHBondContact O-CB 3.32Å; Q157-M160 PolarHBondContact O-N 3.4Å; Q157-N161 PolarHBondContact NE2-OD1 2.85Å; Q157-N161 VanDerWaalsContact O-CG 3.24Å; Q157-N161 PolarHBondContact O-N 2.98Å; Q157-N161 PolarHBondContact O-OD1 3.46Å
158	D	91.2	Very high	90	Very high	14 Å²	14	50.2 Å²	50.2	8%	0.075	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-44	175.1	-74	-7.6	0	0	0	111.3	H148 K154 F155 M160 N161 I162 T406	H148-D158 WeakPolarHBondContact CB-OD2 3.35Å; H148-D158 IonicContact CE1-OD2 2.68Å; H148-D158 IonicContact CG-OD2 3.61Å; H148-D158 IonicContact ND1-OD1 3.25Å; H148-D158 IonicContact ND1-OD2 3.59Å; H148-D158 PolarHBondContact ND1-OD2 2.56Å; K154-D158 PolarHBondContact O-N 2.82Å; F155-D158 WeakPolarHBondContact O-CB 3.46Å; F155-D158 PolarHBondContact O-N 2.93Å; D158-M160 VanDerWaalsContact C-N 3.32Å; D158-M160 PolarHBondContact O-N 3.07Å; D158-N161 PolarHBondContact O-N 3.49Å; D158-I162 WeakPolarHBondContact O-CB 3.47Å; D158-I162 VanDerWaalsContact O-CG1 3.26Å; D158-I162 WeakPolarHBondContact O-CG1 3.46Å; D158-I162 PolarHBondContact O-N 3.18Å; D158-T406 HydrophobicContact CB-CG2 4.15Å
159	L	93.1	Very high	89.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-41.3	174	-68.4	178.1	0	0	0	111.8	F155 R156 I162 A163 V184 L188 L397 T400 V401	F155-L159 HydrophobicContact CD1-CD1 4.07Å; F155-L159 HydrophobicContact CD1-CG 4.43Å; F155-L159 HydrophobicContact CE1-CD1 3.72Å; F155-L159 HydrophobicContact CE1-CD2 4.34Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CE2-CD2 4.38Å; F155-L159 HydrophobicContact CE2-CG 4.49Å; F155-L159 HydrophobicContact CZ-CD1 4.19Å; F155-L159 HydrophobicContact CZ-CD2 3.95Å; F155-L159 HydrophobicContact CZ-CG 4.15Å; F155-L159 WeakPolarHBondContact O-CG 3.47Å; F155-L159 PolarHBondContact O-N 3.17Å; R156-L159 PolarHBondContact O-N 3.03Å; L159-I162 PolarHBondContact O-N 3.41Å; L159-A163 WeakPolarHBondContact O-CB 3.3Å; L159-A163 PolarHBondContact O-N 3.45Å; L159-V184 HydrophobicContact CB-CG1 4.24Å; L159-V184 HydrophobicContact CB-CG2 4.02Å; L159-L188 HydrophobicContact CD1-CD2 4.16Å; L159-L397 HydrophobicContact CB-CD2 3.81Å; L159-L397 HydrophobicContact CD2-CD2 3.64Å; L159-L397 HydrophobicContact CG-CD2 4.27Å; L159-L397 WeakPolarHBondContact O-CD2 3.23Å; L159-T400 HydrophobicContact CD2-CG2 3.86Å; L159-V401 HydrophobicContact CD1-CG2 4.5Å
160	M	93.7	Very high	90	Very high	38 Å²	38	47.8 Å²	47.8	19%	0.187	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-43.2	174.6	-73	-173.7	177.3	0	0	111.9	R156 Q157 D158 G164 T180 K181 V184	R156-M160 HydrophobicContact CG-CE 4.35Å; R156-M160 WeakPolarHBondContact O-CG 3.44Å; R156-M160 PolarHBondContact O-N 3.35Å; Q157-M160 WeakPolarHBondContact O-CB 3.32Å; Q157-M160 PolarHBondContact O-N 3.4Å; D158-M160 VanDerWaalsContact C-N 3.32Å; D158-M160 PolarHBondContact O-N 3.07Å; M160-G164 PolarHBondContact O-N 3Å; M160-T180 HydrophobicContact CB-CG2 4Å; M160-T180 HydrophobicContact CG-CG2 4.29Å; M160-T180 WeakPolarHBondContact O-CG2 3.48Å; M160-K181 HydrophobicContact CE-CG 4.48Å; M160-V184 HydrophobicContact CG-CG2 4.1Å
161	N	93	Very high	90	Very high	34 Å²	34	44.4 Å²	44.4	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-41	179.3	-69.8	-7.6	0	0	0	112	Q157 D158 G164 T165 G492 T494	Q157-N161 PolarHBondContact NE2-OD1 2.85Å; Q157-N161 VanDerWaalsContact O-CG 3.24Å; Q157-N161 PolarHBondContact O-N 2.98Å; Q157-N161 PolarHBondContact O-OD1 3.46Å; D158-N161 PolarHBondContact O-N 3.49Å; N161-G164 PolarHBondContact O-N 2.72Å; N161-T165 WeakPolarHBondContact O-CB 3.41Å; N161-T165 PolarHBondContact O-N 2.85Å; N161-T165 PolarHBondContact O-OG1 3.33Å; N161-G492 VanDerWaalsContact CB-O 3.28Å; N161-G492 WeakPolarHBondContact CB-O 3.47Å; N161-T494 WeakPolarHBondContact CB-OG1 3.49Å
162	I	93.4	Very high	89.8	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-51.9	176.3	-70.2	167.7	0	0	0	111	D158 L159 G164 T165 T166 V396 T400 T406 T494	D158-I162 WeakPolarHBondContact O-CB 3.47Å; D158-I162 VanDerWaalsContact O-CG1 3.26Å; D158-I162 WeakPolarHBondContact O-CG1 3.46Å; D158-I162 PolarHBondContact O-N 3.18Å; L159-I162 PolarHBondContact O-N 3.41Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 2.91Å; I162-T165 PolarHBondContact O-N 2.96Å; I162-T165 VanDerWaalsContact O-N 3.13Å; I162-T166 PolarHBondContact O-N 3.44Å; I162-T166 PolarHBondContact O-OG1 2.76Å; I162-V396 HydrophobicContact CG2-CG1 3.42Å; I162-V396 VanDerWaalsContact CG2-CG1 3.42Å; I162-T400 HydrophobicContact CD1-CG2 3.71Å; I162-T406 HydrophobicContact CD1-CG2 3.82Å; I162-T494 WeakPolarHBondContact CA-O 3.35Å; I162-T494 WeakPolarHBondContact CG1-O 3.36Å
163	A	93.5	Very high	89.6	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-39.4	177.9	0	0	0	0	0	111.9	L159 T165 L167 T180 V184 L397	L159-A163 WeakPolarHBondContact O-CB 3.3Å; L159-A163 PolarHBondContact O-N 3.45Å; A163-T165 VanDerWaalsContact C-N 3.3Å; A163-T165 PolarHBondContact O-N 3.02Å; A163-L167 VanDerWaalsContact O-CB 3.31Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CG 3.32Å; A163-L167 PolarHBondContact O-N 2.87Å; A163-T180 HydrophobicContact CB-CG2 4.04Å; A163-V184 HydrophobicContact CB-CG2 4.39Å; A163-L397 HydrophobicContact CB-CD1 4.03Å; A163-L397 HydrophobicContact CB-CD2 4.13Å; A163-L397 HydrophobicContact CB-CG 4.29Å
164	G	92.3	Very high	89.4	Confident	13 Å²	13	38.2 Å²	38.2	13%	0.134	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-39.5	174.2	0	0	0	0	0	112.7	M160 N161 I162 S168 T180	M160-G164 PolarHBondContact O-N 3Å; N161-G164 PolarHBondContact O-N 2.72Å; I162-G164 VanDerWaalsContact C-N 3.3Å; I162-G164 PolarHBondContact O-N 2.91Å; G164-S168 PolarHBondContact O-N 3.16Å; G164-S168 PolarHBondContact O-OG 3.07Å; G164-T180 WeakPolarHBondContact CA-OG1 3.31Å
165	T	91.8	Very high	89.4	Confident	32 Å²	32	36 Å²	36	20%	0.196	18%	0.182	C	C	.	.	H	α-helix	trans	-70.3	-50.1	178.5	-56.8	0	0	0	0	111.4	N161 I162 A163 L167 S168 I493 T494 E495	N161-T165 WeakPolarHBondContact O-CB 3.41Å; N161-T165 PolarHBondContact O-N 2.85Å; N161-T165 PolarHBondContact O-OG1 3.33Å; I162-T165 PolarHBondContact O-N 2.96Å; I162-T165 VanDerWaalsContact O-N 3.13Å; A163-T165 VanDerWaalsContact C-N 3.3Å; A163-T165 PolarHBondContact O-N 3.02Å; T165-L167 VanDerWaalsContact C-N 3.29Å; T165-L167 PolarHBondContact O-N 3.05Å; T165-S168 WeakPolarHBondContact O-CB 3.48Å; T165-S168 PolarHBondContact O-N 2.94Å; T165-S168 VanDerWaalsContact O-N 3.14Å; T165-I493 HydrophobicContact CG2-CG2 3.97Å; T165-T494 PolarHBondContact OG1-O 2.84Å; T165-E495 HydrophobicContact CG2-CG 3.86Å
166	T	91.1	Very high	89.3	Confident	9 Å²	9	37.2 Å²	37.2	6%	0.055	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-34	178.6	-66.5	0	0	0	0	112.9	D97 I162 S168 K170 D392 A393	D97-T166 HydrophobicContact CB-CG2 4.48Å; D97-T166 VanDerWaalsContact OD2-CG2 3.24Å; D97-T166 WeakPolarHBondContact OD2-CG2 3.5Å; D97-T166 PolarHBondContact OD2-OG1 2.62Å; I162-T166 PolarHBondContact O-N 3.44Å; I162-T166 PolarHBondContact O-OG1 2.76Å; T166-S168 VanDerWaalsContact C-N 3.35Å; T166-K170 WeakPolarHBondContact O-CE 3.49Å; T166-D392 HydrophobicContact CG2-CB 4.48Å; T166-A393 HydrophobicContact CG2-CB 4.45Å
167	L	90.1	Very high	89.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-80.5	-13.9	179.3	-68.8	174.2	0	0	0	113.9	A163 T165 S169 K170 L172 T173 F179 S389 A393	A163-L167 VanDerWaalsContact O-CB 3.31Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CG 3.32Å; A163-L167 PolarHBondContact O-N 2.87Å; T165-L167 VanDerWaalsContact C-N 3.29Å; T165-L167 PolarHBondContact O-N 3.05Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 2.86Å; L167-K170 PolarHBondContact O-N 3.02Å; L167-L172 HydrophobicContact CD2-CB 4.32Å; L167-L172 HydrophobicContact CD2-CD1 3.9Å; L167-T173 PolarHBondContact O-OG1 2.96Å; L167-F179 HydrophobicContact CD1-CB 3.81Å; L167-S389 WeakPolarHBondContact CD2-O 3.2Å; L167-A393 HydrophobicContact CD1-CB 4.43Å; L167-A393 HydrophobicContact CD2-CB 3.91Å; L167-A393 HydrophobicContact CG-CB 4.04Å
168	S	87	Confident	89.3	Confident	24 Å²	24	36.5 Å²	36.5	17%	0.168	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.2	-171.4	-72.2	0	0	0	0	115	P45 G164 T165 T166 T173	P45-S168 CarbonylContact C-O 3.58Å; P45-S168 VanDerWaalsContact CA-O 3.27Å; P45-S168 WeakPolarHBondContact CA-O 3.19Å; G164-S168 PolarHBondContact O-N 3.16Å; G164-S168 PolarHBondContact O-OG 3.07Å; T165-S168 WeakPolarHBondContact O-CB 3.48Å; T165-S168 PolarHBondContact O-N 2.94Å; T165-S168 VanDerWaalsContact O-N 3.14Å; T166-S168 VanDerWaalsContact C-N 3.35Å; S168-T173 WeakPolarHBondContact CA-OG1 3.19Å; S168-T173 PolarHBondContact O-OG1 3.36Å
169	S	83.2	Confident	89.4	Confident	25 Å²	25	35.8 Å²	35.8	18%	0.175	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.3	175.4	65.7	0	0	0	0	113.7	G44 N65 L167	G44-S169 WeakPolarHBondContact O-CB 3.3Å; N65-S169 VanDerWaalsContact CG-O 3.23Å; N65-S169 PolarHBondContact ND2-O 3.24Å; N65-S169 PolarHBondContact OD1-O 3.35Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 2.86Å
170	K	84.8	Confident	89.4	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.057	19%	0.19	C	C	.	.	S	Bend	trans	-114.7	174.1	-166.7	-52.5	-177.1	-170.2	173.4	0	111.5	N65 T166 L167 L172 T173 S389 D392	N65-K170 HydrophobicContact CB-CG 4.49Å; T166-K170 WeakPolarHBondContact O-CE 3.49Å; L167-K170 PolarHBondContact O-N 3.02Å; K170-L172 PolarHBondContact O-N 2.92Å; K170-T173 PolarHBondContact N-OG1 3.26Å; K170-T173 WeakPolarHBondContact O-CB 3.36Å; K170-T173 PolarHBondContact O-N 3.14Å; K170-T173 PolarHBondContact O-OG1 2.9Å; K170-S389 WeakPolarHBondContact CB-OG 3.45Å; K170-S389 WeakPolarHBondContact CD-OG 3.27Å; K170-D392 VanDerWaalsContact NZ-CG 3.31Å; K170-D392 IonicContact NZ-OD2 3.41Å; K170-D392 PolarHBondContact NZ-OD2 3.13Å
171	L	83.9	Confident	89.4	Confident	51 Å²	51	39.9 Å²	39.9	27%	0.267	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-53.2	-30.3	177.6	-173.7	67.2	0	0	0	113.3	T173 L209 I382 E385	L171-T173 PolarHBondContact O-N 3.02Å; L171-L209 HydrophobicContact CD2-CD1 4.36Å; L171-L209 HydrophobicContact CG-CD1 4.39Å; L171-I382 HydrophobicContact CD2-CB 4.02Å; L171-I382 HydrophobicContact CD2-CG1 3.95Å; L171-I382 HydrophobicContact CD2-CG2 3.74Å; L171-E385 HydrophobicContact CB-CG 4.21Å; L171-E385 HydrophobicContact CD2-CB 4.47Å
172	L	84.3	Confident	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-71.8	-4.3	-179	-60.7	-173.2	0	0	0	114.5	L167 K170 H174 H175 K176 F179 L209 A386	L167-L172 HydrophobicContact CD2-CB 4.32Å; L167-L172 HydrophobicContact CD2-CD1 3.9Å; K170-L172 PolarHBondContact O-N 2.92Å; L172-H174 VanDerWaalsContact C-N 3.27Å; L172-H174 PolarHBondContact O-N 3.32Å; L172-H175 CarbonylContact O-C 3.5Å; L172-H175 VanDerWaalsContact O-C 3.26Å; L172-H175 PolarHBondContact O-N 3.4Å; L172-K176 WeakPolarHBondContact O-CA 3.22Å; L172-K176 PolarHBondContact O-N 3Å; L172-F179 HydrophobicContact CB-CD2 4.24Å; L172-F179 HydrophobicContact CB-CG 4.49Å; L172-F179 HydrophobicContact CD1-CB 4.32Å; L172-F179 HydrophobicContact CD1-CD1 3.89Å; L172-F179 HydrophobicContact CD1-CD2 4.26Å; L172-F179 HydrophobicContact CD1-CE1 4.26Å; L172-F179 HydrophobicContact CD1-CG 3.89Å; L172-F179 HydrophobicContact CD2-CD1 4.46Å; L172-F179 HydrophobicContact CD2-CD2 3.88Å; L172-F179 HydrophobicContact CD2-CE1 4.21Å; L172-F179 HydrophobicContact CD2-CE2 3.6Å; L172-F179 HydrophobicContact CD2-CG 4.31Å; L172-F179 HydrophobicContact CD2-CZ 3.77Å; L172-F179 HydrophobicContact CG-CD2 4.35Å; L172-F179 HydrophobicContact CG-CG 4.46Å; L172-L209 HydrophobicContact CD2-CD1 4.33Å; L172-L209 HydrophobicContact CD2-CD2 4.18Å; L172-A386 HydrophobicContact CD2-CB 3.84Å
173	T	83.7	Confident	89.4	Confident	49 Å²	49	38.9 Å²	38.9	30%	0.301	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-54.4	-38.7	-177.9	-59.3	0	0	0	0	113.4	L167 S168 K170 L171 H175 K176	L167-T173 PolarHBondContact O-OG1 2.96Å; S168-T173 WeakPolarHBondContact CA-OG1 3.19Å; S168-T173 PolarHBondContact O-OG1 3.36Å; K170-T173 PolarHBondContact N-OG1 3.26Å; K170-T173 WeakPolarHBondContact O-CB 3.36Å; K170-T173 PolarHBondContact O-N 3.14Å; K170-T173 PolarHBondContact O-OG1 2.9Å; L171-T173 PolarHBondContact O-N 3.02Å; T173-H175 PolarHBondContact O-N 2.81Å; T173-K176 WeakPolarHBondContact O-CB 3.11Å; T173-K176 PolarHBondContact O-N 3.38Å
174	H	85	Confident	89.4	Confident	169 Å²	169	38.9 Å²	38.9	78%	0.782	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-64.9	-27.5	179	-67.6	-67.6	0	0	0	113.5	L172	L172-H174 VanDerWaalsContact C-N 3.27Å; L172-H174 PolarHBondContact O-N 3.32Å
175	H	88	Confident	89.4	Confident	65 Å²	65	41.8 Å²	41.8	30%	0.301	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-118.4	29	179.1	-61.5	-62.7	0	0	0	111.3	L172 T173 D177 H178 F179	L172-H175 CarbonylContact O-C 3.5Å; L172-H175 VanDerWaalsContact O-C 3.26Å; L172-H175 PolarHBondContact O-N 3.4Å; T173-H175 PolarHBondContact O-N 2.81Å; H175-D177 VanDerWaalsContact C-N 3.28Å; H175-D177 PolarHBondContact O-N 2.89Å; H175-H178 WeakPolarHBondContact O-CB 3.38Å; H175-H178 PolarHBondContact O-N 3.15Å; H175-F179 HydrophobicContact CB-CD2 3.9Å; H175-F179 HydrophobicContact CB-CE2 3.96Å; H175-F179 WeakPolarHBondContact O-CD2 3.44Å; H175-F179 PolarHBondContact O-N 3.47Å; H175-F179 VanDerWaalsContact O-N 3.13Å
176	K	87.8	Confident	89.4	Confident	52 Å²	52	40.3 Å²	40.3	23%	0.226	20%	0.2	C	C	.	.	H	α-helix	trans	-54.3	-42.5	-171.8	68.8	176.3	-165.8	149.3	0	112.7	L172 T173 H178 F179 T180	L172-K176 WeakPolarHBondContact O-CA 3.22Å; L172-K176 PolarHBondContact O-N 3Å; T173-K176 WeakPolarHBondContact O-CB 3.11Å; T173-K176 PolarHBondContact O-N 3.38Å; K176-H178 PolarHBondContact O-N 3.43Å; K176-F179 PolarHBondContact O-N 3.41Å; K176-T180 WeakPolarHBondContact O-CB 3.31Å; K176-T180 PolarHBondContact O-N 2.91Å; K176-T180 PolarHBondContact O-OG1 3.28Å
177	D	91.4	Very high	89.4	Confident	105 Å²	105	40.2 Å²	40.2	56%	0.561	20%	0.2	S	C	*	.	H	α-helix	trans	-68.2	-30.5	-174.9	-60.9	-24.9	0	0	0	111.2	H175 K181	H175-D177 VanDerWaalsContact C-N 3.28Å; H175-D177 PolarHBondContact O-N 2.89Å; D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.19Å; D177-K181 PolarHBondContact O-N 3Å
178	H	93	Very high	89.3	Confident	70 Å²	70	43.4 Å²	43.4	32%	0.324	22%	0.216	S	C	.	.	H	α-helix	trans	-71.7	-55.1	176.2	-175.2	62.3	0	0	0	110.7	H175 K176 T180 K181 L182 A210 S212	H175-H178 WeakPolarHBondContact O-CB 3.38Å; H175-H178 PolarHBondContact O-N 3.15Å; K176-H178 PolarHBondContact O-N 3.43Å; H178-T180 VanDerWaalsContact C-N 3.3Å; H178-T180 PolarHBondContact O-N 2.96Å; H178-K181 PolarHBondContact O-N 3.45Å; H178-L182 WeakPolarHBondContact O-CG 3.37Å; H178-L182 PolarHBondContact O-N 2.89Å; H178-A210 PolarHBondContact NE2-O 2.96Å; H178-S212 PolarHBondContact NE2-O 3.26Å
179	F	93.6	Very high	89.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-31.1	-179.8	-77.5	-79	0	0	0	113.3	L167 L172 H175 K176 L182 A183 L209 L375	L167-F179 HydrophobicContact CD1-CB 3.81Å; L172-F179 HydrophobicContact CB-CD2 4.24Å; L172-F179 HydrophobicContact CB-CG 4.49Å; L172-F179 HydrophobicContact CD1-CB 4.32Å; L172-F179 HydrophobicContact CD1-CD1 3.89Å; L172-F179 HydrophobicContact CD1-CD2 4.26Å; L172-F179 HydrophobicContact CD1-CE1 4.26Å; L172-F179 HydrophobicContact CD1-CG 3.89Å; L172-F179 HydrophobicContact CD2-CD1 4.46Å; L172-F179 HydrophobicContact CD2-CD2 3.88Å; L172-F179 HydrophobicContact CD2-CE1 4.21Å; L172-F179 HydrophobicContact CD2-CE2 3.6Å; L172-F179 HydrophobicContact CD2-CG 4.31Å; L172-F179 HydrophobicContact CD2-CZ 3.77Å; L172-F179 HydrophobicContact CG-CD2 4.35Å; L172-F179 HydrophobicContact CG-CG 4.46Å; H175-F179 HydrophobicContact CB-CD2 3.9Å; H175-F179 HydrophobicContact CB-CE2 3.96Å; H175-F179 WeakPolarHBondContact O-CD2 3.44Å; H175-F179 PolarHBondContact O-N 3.47Å; H175-F179 VanDerWaalsContact O-N 3.13Å; K176-F179 PolarHBondContact O-N 3.41Å; F179-L182 HydrophobicContact CD1-CD1 4.19Å; F179-L182 HydrophobicContact CE1-CD1 4.42Å; F179-L182 PolarHBondContact O-N 3.39Å; F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.83Å; F179-L209 HydrophobicContact CE2-CB 4.32Å; F179-L209 HydrophobicContact CZ-CB 4.46Å; F179-L209 HydrophobicContact CZ-CD2 4.41Å; F179-L209 WeakPolarHBondContact CZ-O 3.17Å; F179-L375 HydrophobicContact CE1-CD2 3.65Å; F179-L375 HydrophobicContact CZ-CD2 4.35Å
180	T	93.3	Very high	89.2	Confident	10 Å²	10	44.3 Å²	44.3	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-48.8	172.8	-64.9	0	0	0	0	110.7	M160 A163 G164 K176 H178 A183 V184	M160-T180 HydrophobicContact CB-CG2 4Å; M160-T180 HydrophobicContact CG-CG2 4.29Å; M160-T180 WeakPolarHBondContact O-CG2 3.48Å; A163-T180 HydrophobicContact CB-CG2 4.04Å; G164-T180 WeakPolarHBondContact CA-OG1 3.31Å; K176-T180 WeakPolarHBondContact O-CB 3.31Å; K176-T180 PolarHBondContact O-N 2.91Å; K176-T180 PolarHBondContact O-OG1 3.28Å; H178-T180 VanDerWaalsContact C-N 3.3Å; H178-T180 PolarHBondContact O-N 2.96Å; T180-A183 PolarHBondContact O-N 2.9Å; T180-V184 VanDerWaalsContact O-CG2 3.28Å; T180-V184 WeakPolarHBondContact O-CG2 3.38Å; T180-V184 PolarHBondContact O-N 3.12Å
181	K	94.1	Very high	88.9	Confident	115 Å²	115	50.3 Å²	50.3	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-45.1	177.4	-71.9	172.7	-174.8	177	0	111.4	M160 D177 H178 A183 V184 E185	M160-K181 HydrophobicContact CE-CG 4.48Å; D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.19Å; D177-K181 PolarHBondContact O-N 3Å; H178-K181 PolarHBondContact O-N 3.45Å; K181-A183 PolarHBondContact O-N 3.04Å; K181-V184 PolarHBondContact O-N 2.66Å; K181-E185 WeakPolarHBondContact O-CB 3.44Å; K181-E185 VanDerWaalsContact O-CG 3.32Å; K181-E185 WeakPolarHBondContact O-CG 3.48Å; K181-E185 PolarHBondContact O-N 2.67Å
182	L	93.4	Very high	88.3	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-47.5	177.9	-67.8	178.2	0	0	0	112.1	H178 F179 E185 A186 L214	H178-L182 WeakPolarHBondContact O-CG 3.37Å; H178-L182 PolarHBondContact O-N 2.89Å; F179-L182 HydrophobicContact CD1-CD1 4.19Å; F179-L182 HydrophobicContact CE1-CD1 4.42Å; F179-L182 PolarHBondContact O-N 3.39Å; L182-E185 PolarHBondContact O-N 3.43Å; L182-A186 VanDerWaalsContact O-CB 3.27Å; L182-A186 WeakPolarHBondContact O-CB 2.77Å; L182-A186 PolarHBondContact O-N 2.92Å; L182-L214 HydrophobicContact CD2-CB 3.6Å; L182-L214 VanDerWaalsContact CD2-N 3.32Å
183	A	93.2	Very high	87.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-45.3	-179.1	0	0	0	0	0	111.8	F179 T180 K181 A186 V187 L390 L394 L397	F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.83Å; T180-A183 PolarHBondContact O-N 2.9Å; K181-A183 PolarHBondContact O-N 3.04Å; A183-A186 PolarHBondContact O-N 3.36Å; A183-V187 WeakPolarHBondContact O-CG2 3.46Å; A183-V187 PolarHBondContact O-N 3.42Å; A183-L390 HydrophobicContact CB-CD1 4.02Å; A183-L394 HydrophobicContact CB-CD2 4.11Å; A183-L397 HydrophobicContact CB-CD1 3.74Å
184	V	93.1	Very high	87.3	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-43.8	178.2	173.4	0	0	0	0	111.3	R156 L159 M160 A163 T180 K181 V187 L188 L397	R156-V184 HydrophobicContact CG-CG1 4.34Å; L159-V184 HydrophobicContact CB-CG1 4.24Å; L159-V184 HydrophobicContact CB-CG2 4.02Å; M160-V184 HydrophobicContact CG-CG2 4.1Å; A163-V184 HydrophobicContact CB-CG2 4.39Å; T180-V184 VanDerWaalsContact O-CG2 3.28Å; T180-V184 WeakPolarHBondContact O-CG2 3.38Å; T180-V184 PolarHBondContact O-N 3.12Å; K181-V184 PolarHBondContact O-N 2.66Å; V184-V187 PolarHBondContact O-N 3.32Å; V184-L188 HydrophobicContact CG1-CD1 3.76Å; V184-L188 HydrophobicContact CG1-CG 4.33Å; V184-L188 WeakPolarHBondContact O-CB 3.37Å; V184-L188 VanDerWaalsContact O-CG 3.25Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.27Å; V184-L397 HydrophobicContact CG2-CD1 4.08Å; V184-L397 HydrophobicContact CG2-CD2 4.29Å
185	E	91.7	Very high	87.1	Confident	74 Å²	74	47.9 Å²	47.9	35%	0.346	25%	0.253	S	S	.	.	H	α-helix	trans	-65.1	-39.7	176.9	-73.3	179.1	-176.8	0	0	112.4	R156 K181 L182 R189 L214	R156-E185 IonicContact NH2-OE1 2.66Å; K181-E185 WeakPolarHBondContact O-CB 3.44Å; K181-E185 VanDerWaalsContact O-CG 3.32Å; K181-E185 WeakPolarHBondContact O-CG 3.48Å; K181-E185 PolarHBondContact O-N 2.67Å; L182-E185 PolarHBondContact O-N 3.43Å; E185-R189 VanDerWaalsContact O-CG 3.31Å; E185-R189 WeakPolarHBondContact O-CG 2.93Å; E185-R189 PolarHBondContact O-N 3.42Å; E185-R189 VanDerWaalsContact O-N 3.13Å; E185-L214 HydrophobicContact CB-CD2 3.71Å
186	A	92.2	Very high	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-45.2	176.8	0	0	0	0	0	111.9	L182 A183 R189 I199 L214 I373 L394	L182-A186 VanDerWaalsContact O-CB 3.27Å; L182-A186 WeakPolarHBondContact O-CB 2.77Å; L182-A186 PolarHBondContact O-N 2.92Å; A183-A186 PolarHBondContact O-N 3.36Å; A186-R189 PolarHBondContact O-N 3.05Å; A186-I199 HydrophobicContact CB-CD1 4.06Å; A186-L214 HydrophobicContact CB-CD1 4.3Å; A186-L214 HydrophobicContact CB-CD2 4.21Å; A186-I373 HydrophobicContact CB-CD1 3.87Å; A186-L394 HydrophobicContact CB-CD2 4.15Å
187	V	90.8	Very high	86.9	Confident	7 Å²	7	50 Å²	50	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-70.6	-39.4	-179.7	173.4	0	0	0	0	112	A183 V184 R189 L190 I199 L394 L397 V401	A183-V187 WeakPolarHBondContact O-CG2 3.46Å; A183-V187 PolarHBondContact O-N 3.42Å; V184-V187 PolarHBondContact O-N 3.32Å; V187-R189 PolarHBondContact O-N 3.36Å; V187-L190 WeakPolarHBondContact O-CB 3.36Å; V187-L190 PolarHBondContact O-N 3.4Å; V187-L190 VanDerWaalsContact O-N 3.09Å; V187-I199 HydrophobicContact CG2-CD1 4.47Å; V187-L394 HydrophobicContact CG2-CD2 3.67Å; V187-L397 HydrophobicContact CB-CB 4.27Å; V187-L397 HydrophobicContact CG1-CB 4.16Å; V187-L397 HydrophobicContact CG2-CB 3.81Å; V187-L397 HydrophobicContact CG2-CD1 4.11Å; V187-V401 HydrophobicContact CG1-CG2 3.82Å
188	L	88.4	Confident	86.6	Confident	67 Å²	67	45.2 Å²	45.2	35%	0.351	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-30.7	176.1	-71.7	173.3	0	0	0	112.3	R156 L159 V184 L190 K191	R156-L188 HydrophobicContact CG-CD1 4.44Å; L159-L188 HydrophobicContact CD1-CD2 4.16Å; V184-L188 HydrophobicContact CG1-CD1 3.76Å; V184-L188 HydrophobicContact CG1-CG 4.33Å; V184-L188 WeakPolarHBondContact O-CB 3.37Å; V184-L188 VanDerWaalsContact O-CG 3.25Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.27Å; L188-L190 VanDerWaalsContact C-N 3.26Å; L188-L190 PolarHBondContact O-N 3.27Å; L188-K191 PolarHBondContact O-N 3.44Å
189	R	85.1	Confident	86.5	Confident	64 Å²	64	42.3 Å²	42.3	24%	0.242	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-25.9	173.6	-76.2	-178.4	-169.7	-174.9	11.6	113.5	E185 A186 V187 K191 D215	E185-R189 VanDerWaalsContact O-CG 3.31Å; E185-R189 WeakPolarHBondContact O-CG 2.93Å; E185-R189 PolarHBondContact O-N 3.42Å; E185-R189 VanDerWaalsContact O-N 3.13Å; A186-R189 PolarHBondContact O-N 3.05Å; V187-R189 PolarHBondContact O-N 3.36Å; R189-K191 PolarHBondContact O-N 3.5Å; R189-D215 PolarHBondContact NH1-O 3.39Å
190	L	83.3	Confident	86.4	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9	178.3	-62.8	-176.8	0	0	0	114.1	V187 L188 G192 S193 A198 I199 E369	V187-L190 WeakPolarHBondContact O-CB 3.36Å; V187-L190 PolarHBondContact O-N 3.4Å; V187-L190 VanDerWaalsContact O-N 3.09Å; L188-L190 VanDerWaalsContact C-N 3.26Å; L188-L190 PolarHBondContact O-N 3.27Å; L190-G192 PolarHBondContact O-N 2.92Å; L190-S193 WeakPolarHBondContact O-CB 3.4Å; L190-S193 PolarHBondContact O-N 3.2Å; L190-S193 VanDerWaalsContact O-N 3.07Å; L190-S193 PolarHBondContact O-OG 3.06Å; L190-A198 HydrophobicContact CD2-CB 3.58Å; L190-I199 HydrophobicContact CD1-CD1 3.8Å; L190-I199 HydrophobicContact CD1-CG1 3.98Å; L190-I199 HydrophobicContact CD2-CG1 3.95Å; L190-I199 HydrophobicContact CG-CD1 4.29Å; L190-I199 HydrophobicContact CG-CG1 4.22Å; L190-E369 WeakPolarHBondContact CD2-O 3.31Å
191	K	76.6	Confident	86.4	Confident	140 Å²	140	44.9 Å²	44.9	61%	0.609	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	37.5	177.1	-64.5	177.5	-175.6	157.8	0	114.5	L188 R189 S193 L367 E369	L188-K191 PolarHBondContact O-N 3.44Å; R189-K191 PolarHBondContact O-N 3.5Å; K191-S193 PolarHBondContact O-N 2.7Å; K191-L367 PolarHBondContact NZ-O 3.3Å; K191-E369 HydrophobicContact CD-CG 4.12Å
192	G	72.9	Confident	86.4	Confident	53 Å²	53	39.6 Å²	39.6	55%	0.546	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.9	175.4	0	0	0	0	0	115.7	L190 G194	L190-G192 PolarHBondContact O-N 2.92Å; G192-G194 PolarHBondContact O-N 2.72Å
193	S	72.4	Confident	86.4	Confident	70 Å²	70	42.1 Å²	42.1	49%	0.49	23%	0.226	S	C	.	.			trans	-58.6	-29.1	172	66.4	0	0	0	0	112.2	L190 K191 N195	L190-S193 WeakPolarHBondContact O-CB 3.4Å; L190-S193 PolarHBondContact O-N 3.2Å; L190-S193 VanDerWaalsContact O-N 3.07Å; L190-S193 PolarHBondContact O-OG 3.06Å; K191-S193 PolarHBondContact O-N 2.7Å; S193-N195 PolarHBondContact O-N 3.39Å
194	G	73.8	Confident	86.4	Confident	21 Å²	21	42.7 Å²	42.7	22%	0.216	23%	0.228	C	C	.	.			trans	63.4	8.8	-179	0	0	0	0	0	113.7	G192	G192-G194 PolarHBondContact O-N 2.72Å
195	N	80.7	Confident	86.4	Confident	73 Å²	73	47.3 Å²	47.3	39%	0.39	25%	0.252	S	S	.	.			trans	-93.2	106	178.6	-171.5	2.3	0	0	0	109.9	S193 E197 A198	S193-N195 PolarHBondContact O-N 3.39Å; N195-E197 PolarHBondContact O-N 3.29Å; N195-E197 WeakPolarHBondContact OD1-CB 3.07Å; N195-E197 WeakPolarHBondContact OD1-CG 3.04Å; N195-E197 PolarHBondContact OD1-N 3.35Å; N195-A198 WeakPolarHBondContact O-CB 3.42Å; N195-A198 PolarHBondContact O-N 3.44Å
196	L	85.4	Confident	86.3	Confident	42 Å²	42	45.1 Å²	45.1	22%	0.22	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-66.5	-21.9	179.1	-65	169.8	0	0	0	112.8	A198 I199 L394 C395 A398	L196-A198 PolarHBondContact O-N 3.19Å; L196-A198 VanDerWaalsContact O-N 3.15Å; L196-I199 PolarHBondContact O-N 2.8Å; L196-L394 HydrophobicContact CD2-CB 3.87Å; L196-C395 HydrophobicContact CD1-CB 4.22Å; L196-C395 WeakPolarHBondContact CD1-SG 3.46Å; L196-A398 HydrophobicContact CD2-CB 3.82Å; L196-A398 HydrophobicContact CG-CB 4.38Å
197	E	85.7	Confident	86.1	Confident	121 Å²	121	47.2 Å²	47.2	57%	0.565	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-63.3	-21	178.2	-62.8	-176.2	155.3	0	0	112.5	N195 I199 R322	N195-E197 PolarHBondContact O-N 3.29Å; N195-E197 WeakPolarHBondContact OD1-CB 3.07Å; N195-E197 WeakPolarHBondContact OD1-CG 3.04Å; N195-E197 PolarHBondContact OD1-N 3.35Å; E197-I199 PolarHBondContact O-N 3.24Å; E197-R322 PolarHBondContact O-NE 2.89Å; E197-R322 PolarHBondContact O-NH2 2.86Å
198	A	86.8	Confident	86.2	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.025	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-69.8	-18.2	174.1	0	0	0	0	0	113.2	L190 N195 L196 L325 A370 C371	L190-A198 HydrophobicContact CD2-CB 3.58Å; N195-A198 WeakPolarHBondContact O-CB 3.42Å; N195-A198 PolarHBondContact O-N 3.44Å; L196-A198 PolarHBondContact O-N 3.19Å; L196-A198 VanDerWaalsContact O-N 3.15Å; A198-L325 HydrophobicContact CB-CD1 4.17Å; A198-A370 HydrophobicContact CB-CB 4.09Å; A198-A370 WeakPolarHBondContact O-CA 3.32Å; A198-A370 WeakPolarHBondContact O-CB 3.48Å; A198-C371 PolarHBondContact O-N 2.56Å
199	I	90.4	Very high	86.3	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.8	173	-54.7	-179.3	0	0	0	108.2	A186 V187 L190 L196 E197 I373 L394	A186-I199 HydrophobicContact CB-CD1 4.06Å; V187-I199 HydrophobicContact CG2-CD1 4.47Å; L190-I199 HydrophobicContact CD1-CD1 3.8Å; L190-I199 HydrophobicContact CD1-CG1 3.98Å; L190-I199 HydrophobicContact CD2-CG1 3.95Å; L190-I199 HydrophobicContact CG-CD1 4.29Å; L190-I199 HydrophobicContact CG-CG1 4.22Å; L196-I199 PolarHBondContact O-N 2.8Å; E197-I199 PolarHBondContact O-N 3.24Å; I199-I373 HydrophobicContact CG2-CD1 3.78Å; I199-I373 HydrophobicContact CG2-CG1 4.17Å; I199-L394 HydrophobicContact CD1-CD1 3.97Å; I199-L394 HydrophobicContact CD1-CD2 3.74Å; I199-L394 HydrophobicContact CD1-CG 4.34Å; I199-L394 HydrophobicContact CG2-CD1 4.03Å
200	H	91.6	Very high	86.6	Confident	38 Å²	38	46 Å²	46	18%	0.176	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.6	174	-171.3	26.5	0	0	0	110.3	I202 F218 R322 C371 T372 I373	H200-I202 WeakPolarHBondContact NE2-CG1 3.38Å; H200-F218 HydrophobicContact CB-CE2 4.14Å; H200-R322 PolarHBondContact ND1-NH1 3.27Å; H200-R322 VanDerWaalsContact ND1-NH1 3.15Å; H200-C371 PolarHBondContact N-O 3.44Å; H200-T372 HydrophobicContact CB-CG2 4.17Å; H200-T372 CarbonylContact O-C 3.02Å; H200-T372 VanDerWaalsContact O-CA 3.27Å; H200-T372 WeakPolarHBondContact O-CA 3.47Å; H200-T372 WeakPolarHBondContact O-CG2 3.35Å; H200-I373 PolarHBondContact O-N 3.39Å
201	I	93.4	Very high	87.1	Confident	25 Å²	25	50.1 Å²	50.1	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.1	171.6	-56.3	174.7	0	0	0	108.4	I373 L375 E387 L390 L394	I201-I373 WeakPolarHBondContact CA-O 3.41Å; I201-L375 HydrophobicContact CG2-CD1 3.47Å; I201-L375 VanDerWaalsContact CG2-CD1 3.47Å; I201-L375 HydrophobicContact CG2-CG 3.83Å; I201-E387 HydrophobicContact CD1-CG 4.19Å; I201-E387 HydrophobicContact CG2-CB 4.46Å; I201-E387 HydrophobicContact CG2-CG 4.11Å; I201-L390 HydrophobicContact CD1-CD2 4.17Å; I201-L394 HydrophobicContact CD1-CD1 4.41Å
202	I	92.9	Very high	87.9	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.7	174.9	-60.3	-179.2	0	0	0	108.3	H200 K204 L219 T372 I373 V374 L375	H200-I202 WeakPolarHBondContact NE2-CG1 3.38Å; I202-K204 HydrophobicContact CG2-CD 4.2Å; I202-K204 HydrophobicContact CG2-CG 4Å; I202-L219 HydrophobicContact CD1-CB 3.88Å; I202-T372 HydrophobicContact CD1-CG2 3.56Å; I202-T372 HydrophobicContact CG1-CG2 3.75Å; I202-I373 PolarHBondContact N-O 3.22Å; I202-V374 CarbonylContact O-C 3.59Å; I202-V374 WeakPolarHBondContact O-CA 3.34Å; I202-L375 PolarHBondContact O-N 3.04Å
203	K	93.7	Very high	88.9	Confident	66 Å²	66	45.1 Å²	45.1	29%	0.287	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.6	174.7	-65	-178.8	-67.5	-167.1	0	109.8	L375 L383 D384 E387	K203-L375 HydrophobicContact CG-CB 4.47Å; K203-L383 HydrophobicContact CB-CB 4.41Å; K203-L383 HydrophobicContact CB-CD1 4.29Å; K203-L383 HydrophobicContact CD-CB 4.05Å; K203-L383 HydrophobicContact CG-CB 4.35Å; K203-D384 IonicContact NZ-OD1 3.2Å; K203-D384 PolarHBondContact NZ-OD1 3.03Å; K203-E387 HydrophobicContact CD-CB 4.08Å; K203-E387 VanDerWaalsContact CD-OE2 3.23Å; K203-E387 WeakPolarHBondContact CD-OE2 3.14Å; K203-E387 WeakPolarHBondContact CE-OE2 3.42Å; K203-E387 IonicContact NZ-OE2 3.72Å; K203-E387 PolarHBondContact NZ-OE2 2.92Å
204	K	92.8	Very high	89.9	Confident	12 Å²	12	42.5 Å²	42.5	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127	172.4	-63.3	-61.2	-178.7	-168	0	110.3	I202 D221 I354 D357 L375	I202-K204 HydrophobicContact CG2-CD 4.2Å; I202-K204 HydrophobicContact CG2-CG 4Å; K204-D221 IonicContact NZ-OD1 3.92Å; K204-D221 PolarHBondContact NZ-OD1 3Å; K204-D221 IonicContact NZ-OD2 2.83Å; K204-D221 PolarHBondContact NZ-OD2 3.22Å; K204-I354 HydrophobicContact CB-CG2 4.19Å; K204-I354 HydrophobicContact CG-CG2 3.98Å; K204-D357 HydrophobicContact CD-CB 4.15Å; K204-D357 VanDerWaalsContact CD-OD2 3.27Å; K204-D357 WeakPolarHBondContact CD-OD2 3.25Å; K204-D357 WeakPolarHBondContact CE-OD2 3.32Å; K204-D357 IonicContact NZ-OD2 2.63Å; K204-D357 PolarHBondContact NZ-OD2 2.9Å; K204-L375 PolarHBondContact N-O 3.13Å
205	L	92.9	Very high	90.8	Very high	98 Å²	98	42.1 Å²	42.1	51%	0.513	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	147.1	179.6	-73.7	164.5	0	0	0	111.8	Q380 L383	L205-Q380 HydrophobicContact CD2-CB 4.34Å; L205-L383 HydrophobicContact CD2-CD1 3.63Å; L205-L383 HydrophobicContact CG-CD1 3.97Å
206	G	91	Very high	90.9	Very high	29 Å²	29	46.8 Å²	46.8	30%	0.299	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	96	157.2	178	0	0	0	0	0	113.8	R376 G377	G206-R376 PolarHBondContact O-NE 2.98Å; G206-R376 PolarHBondContact O-NH2 3.04Å; G206-G377 PolarHBondContact N-O 3.01Å; G206-G377 PolarHBondContact O-N 2.86Å
207	G	88.4	Confident	91	Very high	43 Å²	43	44.9 Å²	44.9	44%	0.443	25%	0.246	S	C	.	.	S	Bend	trans	82.1	-172.4	-174.2	0	0	0	0	0	113.2
208	S	91.3	Very high	91.2	Very high	51 Å²	51	39.1 Å²	39.1	36%	0.357	22%	0.219	S	C	.	.			trans	-93.5	158.2	174.7	175.8	0	0	0	0	111.1	A210 D211 R376	S208-A210 PolarHBondContact O-N 3.32Å; S208-A210 PolarHBondContact OG-N 3.17Å; S208-D211 PolarHBondContact N-OD2 3.14Å; S208-D211 WeakPolarHBondContact O-CB 3.24Å; S208-D211 PolarHBondContact O-N 2.98Å; S208-R376 WeakPolarHBondContact O-CB 3.39Å
209	L	91	Very high	91.5	Very high	22 Å²	22	39 Å²	39	12%	0.115	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-57.1	-30.9	167.5	-78.6	168.7	0	0	0	112.1	L171 L172 F179 D211 S212 R376 I382 A386	L171-L209 HydrophobicContact CD2-CD1 4.36Å; L171-L209 HydrophobicContact CG-CD1 4.39Å; L172-L209 HydrophobicContact CD2-CD1 4.33Å; L172-L209 HydrophobicContact CD2-CD2 4.18Å; F179-L209 HydrophobicContact CE2-CB 4.32Å; F179-L209 HydrophobicContact CZ-CB 4.46Å; F179-L209 HydrophobicContact CZ-CD2 4.41Å; F179-L209 WeakPolarHBondContact CZ-O 3.17Å; L209-D211 PolarHBondContact O-N 3.13Å; L209-S212 VanDerWaalsContact O-CB 3.23Å; L209-S212 WeakPolarHBondContact O-CB 3.47Å; L209-S212 PolarHBondContact O-N 3.2Å; L209-S212 PolarHBondContact O-OG 3.04Å; L209-R376 WeakPolarHBondContact CA-O 3.37Å; L209-R376 WeakPolarHBondContact CD2-O 3.4Å; L209-I382 HydrophobicContact CD1-CG2 3.82Å; L209-I382 HydrophobicContact CD2-CG2 3.78Å; L209-I382 HydrophobicContact CG-CG2 3.86Å; L209-A386 HydrophobicContact CD2-CB 3.82Å
210	A	91.7	Very high	91.5	Very high	41 Å²	41	38.9 Å²	38.9	34%	0.339	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-64.9	-22.2	176.1	0	0	0	0	0	113.6	H178 S208 S212	H178-A210 PolarHBondContact NE2-O 2.96Å; S208-A210 PolarHBondContact O-N 3.32Å; S208-A210 PolarHBondContact OG-N 3.17Å; A210-S212 PolarHBondContact O-N 2.83Å
211	D	92.8	Very high	91.4	Very high	89 Å²	89	40.4 Å²	40.4	48%	0.476	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-80.3	-0.9	178.1	-55.4	-33.5	0	0	0	112.1	S208 L209 Y213 R376	S208-D211 PolarHBondContact N-OD2 3.14Å; S208-D211 WeakPolarHBondContact O-CB 3.24Å; S208-D211 PolarHBondContact O-N 2.98Å; L209-D211 PolarHBondContact O-N 3.13Å; D211-Y213 WeakPolarHBondContact O-CD1 3.5Å; D211-R376 HydrophobicContact CB-CB 4.08Å; D211-R376 HydrophobicContact CB-CG 4.16Å
212	S	94	Very high	91.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	23%	0.23	C	C	.	.			trans	-69.2	143.4	173.7	-53.4	0	0	0	0	110.2	H178 L209 A210 V374 R376	H178-S212 PolarHBondContact NE2-O 3.26Å; L209-S212 VanDerWaalsContact O-CB 3.23Å; L209-S212 WeakPolarHBondContact O-CB 3.47Å; L209-S212 PolarHBondContact O-N 3.2Å; L209-S212 PolarHBondContact O-OG 3.04Å; A210-S212 PolarHBondContact O-N 2.83Å; S212-V374 CarbonylContact C-O 3.53Å; S212-V374 WeakPolarHBondContact CA-O 3.32Å; S212-V374 VanDerWaalsContact CB-O 3.23Å; S212-V374 WeakPolarHBondContact CB-O 3.31Å; S212-R376 PolarHBondContact OG-N 3.15Å
213	Y	94.4	Very high	91	Very high	87 Å²	87	48.2 Å²	48.2	34%	0.341	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	160.8	-178.3	66	-86.4	0	0	0	112.3	D211 D215 I354 V374	D211-Y213 WeakPolarHBondContact O-CD1 3.5Å; Y213-D215 HydrophobicContact CE2-CB 4.18Å; Y213-I354 WeakPolarHBondContact OH-CD1 3.22Å; Y213-V374 HydrophobicContact CD1-CB 4.32Å; Y213-V374 HydrophobicContact CE1-CB 4Å; Y213-V374 HydrophobicContact CE1-CG1 4.26Å; Y213-V374 HydrophobicContact CE1-CG2 4.3Å; Y213-V374 HydrophobicContact CE2-CG2 4.3Å; Y213-V374 PolarHBondContact N-O 3.33Å; Y213-V374 PolarHBondContact O-N 2.81Å
214	L	93.7	Very high	90.7	Very high	16 Å²	16	46.1 Å²	46.1	8%	0.084	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.8	170.9	171.6	63.8	0	0	0	107.7	L182 E185 A186 C371 I373	L182-L214 HydrophobicContact CD2-CB 3.6Å; L182-L214 VanDerWaalsContact CD2-N 3.32Å; E185-L214 HydrophobicContact CB-CD2 3.71Å; A186-L214 HydrophobicContact CB-CD1 4.3Å; A186-L214 HydrophobicContact CB-CD2 4.21Å; L214-C371 HydrophobicContact CD1-CB 3.76Å; L214-I373 HydrophobicContact CD1-CG1 3.72Å
215	D	91.6	Very high	90.2	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.064	26%	0.256	C	S	.	.			trans	-66.5	137.6	178.6	-170.1	68.8	0	0	0	110.3	R189 Y213 G217 F218 L219 H361 T372	R189-D215 PolarHBondContact NH1-O 3.39Å; Y213-D215 HydrophobicContact CE2-CB 4.18Å; D215-G217 PolarHBondContact O-N 2.86Å; D215-G217 WeakPolarHBondContact OD2-CA 3.34Å; D215-G217 PolarHBondContact OD2-N 2.99Å; D215-F218 PolarHBondContact OD2-N 3.06Å; D215-F218 VanDerWaalsContact OD2-N 3.15Å; D215-L219 HydrophobicContact CB-CD1 3.92Å; D215-L219 HydrophobicContact CB-CG 4.21Å; D215-H361 IonicContact OD1-CD2 2.86Å; D215-H361 IonicContact OD1-NE2 2.67Å; D215-H361 PolarHBondContact OD1-NE2 3.33Å; D215-H361 IonicContact OD2-CD2 3.83Å; D215-H361 PolarHBondContact OD2-CD2 3.48Å; D215-H361 VanDerWaalsContact OD2-CD2 3.26Å; D215-H361 IonicContact OD2-NE2 2.7Å; D215-H361 PolarHBondContact OD2-NE2 2.91Å; D215-T372 PolarHBondContact N-O 3.12Å
216	E	84.7	Confident	89.8	Confident	172 Å²	172	46.5 Å²	46.5	80%	0.804	26%	0.262	S	S	*	.	S	Bend	trans	-68.3	-20.9	179	-70.2	-170.7	170.7	0	0	112.8
217	G	85.8	Confident	89.4	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.021	29%	0.287	C	S	.	.	S	Bend	trans	-112.3	-121.4	177.1	0	0	0	0	0	111.7	D215 F362	D215-G217 PolarHBondContact O-N 2.86Å; D215-G217 WeakPolarHBondContact OD2-CA 3.34Å; D215-G217 PolarHBondContact OD2-N 2.99Å; G217-F362 WeakPolarHBondContact CA-O 3.41Å
218	F	90.9	Very high	89.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137	177	-173.4	-99.5	0	0	0	109.9	H200 D215 L220 R322 L323 V326 F362 T372	H200-F218 HydrophobicContact CB-CE2 4.14Å; D215-F218 PolarHBondContact OD2-N 3.06Å; D215-F218 VanDerWaalsContact OD2-N 3.15Å; F218-L220 HydrophobicContact CE1-CB 4.3Å; F218-L220 HydrophobicContact CE1-CD1 4.2Å; F218-R322 HydrophobicContact CE1-CB 4.45Å; F218-R322 HydrophobicContact CE2-CB 3.61Å; F218-R322 HydrophobicContact CE2-CG 4.18Å; F218-R322 HydrophobicContact CZ-CB 3.5Å; F218-R322 HydrophobicContact CZ-CG 4.26Å; F218-L323 HydrophobicContact CD1-CD2 3.65Å; F218-L323 HydrophobicContact CD1-CG 4.31Å; F218-L323 HydrophobicContact CE1-CD2 3.79Å; F218-L323 HydrophobicContact CE1-CG 3.95Å; F218-V326 HydrophobicContact CB-CB 4.43Å; F218-V326 HydrophobicContact CB-CG1 3.84Å; F218-V326 HydrophobicContact CB-CG2 3.92Å; F218-V326 HydrophobicContact CD2-CG2 3.76Å; F218-V326 HydrophobicContact CG-CG2 3.93Å; F218-F362 HydrophobicContact CB-CB 4.36Å; F218-F362 HydrophobicContact CD1-CD2 4.31Å; F218-F362 PolarHBondContact N-O 3.08Å; F218-F362 VanDerWaalsContact N-O 3.15Å; F218-F362 WeakPolarHBondContact O-CD2 3.44Å; F218-F362 PolarHBondContact O-N 3.44Å; F218-T372 WeakPolarHBondContact CD2-OG1 3.35Å
219	L	92.4	Very high	89.2	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.6	175.3	-67.9	162.7	0	0	0	109.5	I202 D215 V352 I354 L359 I360 H361 T372 V374	I202-L219 HydrophobicContact CD1-CB 3.88Å; D215-L219 HydrophobicContact CB-CD1 3.92Å; D215-L219 HydrophobicContact CB-CG 4.21Å; L219-V352 HydrophobicContact CD2-CG2 3.9Å; L219-I354 HydrophobicContact CD1-CD1 3.94Å; L219-L359 HydrophobicContact CD2-CB 4.5Å; L219-I360 WeakPolarHBondContact CA-O 3.39Å; L219-H361 HydrophobicContact CD2-CB 3.63Å; L219-T372 HydrophobicContact CB-CG2 3.8Å; L219-T372 HydrophobicContact CD1-CG2 4.4Å; L219-T372 PolarHBondContact N-OG1 2.67Å; L219-T372 PolarHBondContact O-OG1 2.9Å; L219-V374 HydrophobicContact CD1-CG2 3.32Å
220	L	91	Very high	89	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124	177.1	-174.2	72.5	0	0	0	110	F218 K222 I312 L323 I360 F362	F218-L220 HydrophobicContact CE1-CB 4.3Å; F218-L220 HydrophobicContact CE1-CD1 4.2Å; L220-K222 HydrophobicContact CD1-CG 4.35Å; L220-K222 HydrophobicContact CD2-CB 4.12Å; L220-K222 HydrophobicContact CD2-CG 4.02Å; L220-K222 HydrophobicContact CG-CB 4.16Å; L220-K222 HydrophobicContact CG-CG 3.85Å; L220-K222 PolarHBondContact O-N 3.05Å; L220-I312 HydrophobicContact CD2-CG2 3.78Å; L220-L323 HydrophobicContact CD1-CD1 4.39Å; L220-L323 HydrophobicContact CD2-CD1 4.14Å; L220-I360 HydrophobicContact CB-CB 4.43Å; L220-I360 PolarHBondContact N-O 3.48Å; L220-I360 PolarHBondContact O-N 3.36Å; L220-F362 HydrophobicContact CB-CE2 3.95Å; L220-F362 HydrophobicContact CD2-CE2 4.34Å
221	D	89.1	Confident	89	Confident	71 Å²	71	60.1 Å²	60.1	38%	0.38	29%	0.294	S	S	.	.	S	Bend	trans	-80.7	65.5	177.5	-159.6	-0.3	0	0	0	111.9	K204 L359	K204-D221 IonicContact NZ-OD1 3.92Å; K204-D221 PolarHBondContact NZ-OD1 3Å; K204-D221 IonicContact NZ-OD2 2.83Å; K204-D221 PolarHBondContact NZ-OD2 3.22Å; D221-L359 VanDerWaalsContact CA-CD2 3.45Å; D221-L359 HydrophobicContact CB-CD2 3.62Å; D221-L359 VanDerWaalsContact CG-CD2 3.4Å; D221-L359 WeakPolarHBondContact OD1-CD2 3.23Å
222	K	90.3	Very high	89	Confident	41 Å²	41	56.6 Å²	56.6	18%	0.178	28%	0.275	C	S	.	.			trans	-142.3	168.5	177	-59	-65.7	156.5	161.6	0	109.8	L220 I312 H314 D316 I360	L220-K222 HydrophobicContact CD1-CG 4.35Å; L220-K222 HydrophobicContact CD2-CB 4.12Å; L220-K222 HydrophobicContact CD2-CG 4.02Å; L220-K222 HydrophobicContact CG-CB 4.16Å; L220-K222 HydrophobicContact CG-CG 3.85Å; L220-K222 PolarHBondContact O-N 3.05Å; K222-I312 HydrophobicContact CB-CG2 4.05Å; K222-H314 WeakPolarHBondContact CD-O 3.45Å; K222-H314 WeakPolarHBondContact CE-O 2.76Å; K222-H314 PolarHBondContact NZ-O 3.5Å; K222-D316 IonicContact NZ-OD1 3.94Å; K222-D316 IonicContact NZ-OD2 3.63Å; K222-D316 PolarHBondContact NZ-OD2 3.41Å; K222-I360 HydrophobicContact CB-CD1 4.43Å; K222-I360 WeakPolarHBondContact O-CG1 3.37Å
223	K	86.8	Confident	88.9	Confident	153 Å²	153	62.2 Å²	62.2	67%	0.665	30%	0.302	S	S	*	.			trans	-108.5	150.3	179.4	-64.4	176.2	-177	173	0	109.9
224	I	88.9	Confident	88.7	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.108	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-78.6	145.3	170.9	-67.9	155.7	0	0	0	108.5	Q228 M310 E351 I360	I224-Q228 HydrophobicContact CG2-CB 3.85Å; I224-M310 HydrophobicContact CD1-CE 3.73Å; I224-M310 HydrophobicContact CD1-SD 4.08Å; I224-M310 HydrophobicContact CG1-CE 4.23Å; I224-M310 HydrophobicContact CG1-CG 4.12Å; I224-M310 HydrophobicContact CG1-SD 3.99Å; I224-M310 HydrophobicContact CG2-CG 3.86Å; I224-E351 HydrophobicContact CD1-CB 4.02Å; I224-I360 HydrophobicContact CD1-CD1 4.43Å; I224-I360 HydrophobicContact CD1-CG1 4.23Å; I224-I360 HydrophobicContact CG1-CD1 3.69Å; I224-I360 HydrophobicContact CG1-CG1 4Å
225	G	82.7	Confident	88.6	Confident	15 Å²	15	63.2 Å²	63.2	16%	0.155	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-59.4	162.6	177.2	0	0	0	0	0	114.2	Q228 E301 A311	G225-Q228 VanDerWaalsContact CA-OE1 3.31Å; G225-Q228 VanDerWaalsContact N-OE1 3.16Å; G225-E301 WeakPolarHBondContact CA-OE1 3.44Å; G225-A311 PolarHBondContact N-O 3.36Å
226	V	84	Confident	88.7	Confident	103 Å²	103	68.3 Å²	68.3	62%	0.624	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	138.6	-176.3	-172.5	0	0	0	0	110.4	Q228 E301	V226-Q228 PolarHBondContact O-N 3.27Å; V226-E301 PolarHBondContact N-OE1 2.91Å
227	N	82	Confident	89.1	Confident	155 Å²	155	60.1 Å²	60.1	83%	0.829	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	24.5	-179.7	-62.4	-27.6	0	0	0	115.6
228	Q	87.2	Confident	89.5	Confident	14 Å²	14	60 Å²	60	7%	0.065	30%	0.295	C	S	.	.	S	Bend	trans	-101.5	157.4	176	-69.3	168.5	7.9	0	0	111.5	I224 G225 V226 K230 A311	I224-Q228 HydrophobicContact CG2-CB 3.85Å; G225-Q228 VanDerWaalsContact CA-OE1 3.31Å; G225-Q228 VanDerWaalsContact N-OE1 3.16Å; V226-Q228 PolarHBondContact O-N 3.27Å; Q228-K230 PolarHBondContact O-N 3.03Å; Q228-A311 PolarHBondContact OE1-O 3.5Å; Q228-A311 VanDerWaalsContact OE1-O 3.12Å
229	P	87.7	Confident	89.7	Confident	48 Å²	48	60.1 Å²	60.1	31%	0.312	30%	0.296	S	S	.	.			trans	-61.6	124.7	176.4	25.5	-34.1	0	0	0	110	R231 I232 M310	P229-R231 PolarHBondContact O-N 2.84Å; P229-I232 HydrophobicContact CB-CG1 4.33Å; P229-I232 HydrophobicContact CG-CD1 4.09Å; P229-I232 HydrophobicContact CG-CG1 4.08Å; P229-M310 WeakPolarHBondContact O-CE 3.15Å
230	K	87.9	Confident	89.7	Confident	118 Å²	118	60 Å²	60	51%	0.513	30%	0.295	S	S	.	.	S	Bend	trans	-76.9	-11.9	178.7	-66.2	-171.6	169.9	-146.3	0	114.3	Q228 E350 E351	Q228-K230 PolarHBondContact O-N 3.03Å; K230-E350 WeakPolarHBondContact O-CA 3.4Å; K230-E351 WeakPolarHBondContact CE-OE2 3.22Å; K230-E351 IonicContact NZ-OE2 3.94Å; K230-E351 PolarHBondContact NZ-OE2 3.37Å; K230-E351 PolarHBondContact O-N 2.98Å; K230-E351 VanDerWaalsContact O-N 3.1Å
231	R	92.2	Very high	89.8	Confident	138 Å²	138	61.5 Å²	61.5	52%	0.521	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.8	179.6	176.4	170.4	161.5	160.4	-4.1	109.1	P229 E233 L348 I349 E350	P229-R231 PolarHBondContact O-N 2.84Å; R231-E233 IonicContact CZ-OE1 3.85Å; R231-E233 IonicContact NE-OE1 3.66Å; R231-E233 IonicContact NH2-OE1 3.71Å; R231-E233 PolarHBondContact NH2-OE1 2.67Å; R231-L348 HydrophobicContact CG-CD1 3.8Å; R231-I349 CarbonylContact C-O 3.26Å; R231-I349 WeakPolarHBondContact CA-O 3.35Å; R231-E350 HydrophobicContact CB-CB 4.38Å; R231-E350 HydrophobicContact CG-CB 4.32Å; R231-E350 IonicContact NH1-OE2 2.81Å
232	I	91.6	Very high	89.8	Confident	14 Å²	14	58.7 Å²	58.7	7%	0.072	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.6	176.2	-69.4	179.7	0	0	0	108.8	P229 A235 N288 M310 L348 I349	P229-I232 HydrophobicContact CB-CG1 4.33Å; P229-I232 HydrophobicContact CG-CD1 4.09Å; P229-I232 HydrophobicContact CG-CG1 4.08Å; I232-A235 HydrophobicContact CG2-CB 3.94Å; I232-N288 WeakPolarHBondContact CD1-O 3.42Å; I232-N288 HydrophobicContact CG2-CB 4.39Å; I232-M310 HydrophobicContact CB-CE 4.46Å; I232-M310 HydrophobicContact CD1-CB 3.36Å; I232-M310 HydrophobicContact CD1-CE 3.78Å; I232-M310 HydrophobicContact CD1-CG 4.35Å; I232-M310 HydrophobicContact CD1-SD 4.2Å; I232-M310 HydrophobicContact CG1-CE 3.84Å; I232-L348 CarbonylContact O-C 3.6Å; I232-L348 WeakPolarHBondContact O-CA 3.21Å; I232-I349 HydrophobicContact CB-CB 4.49Å; I232-I349 PolarHBondContact N-O 2.79Å; I232-I349 PolarHBondContact O-N 2.94Å
233	E	91.9	Very high	89.7	Confident	120 Å²	120	57.8 Å²	57.8	56%	0.561	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.9	170.9	-65.1	-177.3	176	0	0	110	R231 K347 L348	R231-E233 IonicContact CZ-OE1 3.85Å; R231-E233 IonicContact NE-OE1 3.66Å; R231-E233 IonicContact NH2-OE1 3.71Å; R231-E233 PolarHBondContact NH2-OE1 2.67Å; E233-K347 CarbonylContact C-O 3.6Å; E233-K347 WeakPolarHBondContact CA-O 3.49Å; E233-L348 HydrophobicContact CG-CD1 3.89Å
234	N	90.8	Very high	89.7	Confident	121 Å²	121	50.5 Å²	50.5	65%	0.647	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.7	64.1	-176.1	-58.5	-54.9	0	0	0	112.3	K236 N288 C346 K347	N234-K236 PolarHBondContact O-N 3.22Å; N234-N288 PolarHBondContact O-ND2 3.13Å; N234-C346 CarbonylContact C-O 3.59Å; N234-C346 WeakPolarHBondContact CA-O 3.33Å; N234-K347 PolarHBondContact N-O 2.93Å
235	A	91.6	Very high	89.4	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.017	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131.3	-177.6	0	0	0	0	0	112.2	I232 I237 N288 S345 C346 I349	I232-A235 HydrophobicContact CG2-CB 3.94Å; A235-I237 HydrophobicContact CB-CD1 4.26Å; A235-I237 HydrophobicContact CB-CG1 3.89Å; A235-N288 WeakPolarHBondContact CA-ND2 3.5Å; A235-N288 WeakPolarHBondContact CA-OD1 3.46Å; A235-S345 VanDerWaalsContact O-CA 3.3Å; A235-S345 WeakPolarHBondContact O-CA 3.5Å; A235-C346 VanDerWaalsContact CB-SG 3.5Å; A235-C346 PolarHBondContact N-O 3.2Å; A235-C346 PolarHBondContact O-N 3.23Å; A235-C346 VanDerWaalsContact O-N 3.16Å; A235-I349 HydrophobicContact CB-CD1 3.41Å; A235-I349 VanDerWaalsContact CB-CD1 3.41Å; A235-I349 HydrophobicContact CB-CG1 3.79Å
236	K	93.1	Very high	88.9	Confident	119 Å²	119	54.8 Å²	54.8	52%	0.517	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	106.6	162.6	-69.6	-176.5	179.1	-177.9	0	107.6	N234 G286 N288 C289	N234-K236 PolarHBondContact O-N 3.22Å; K236-G286 WeakPolarHBondContact CD-O 3.43Å; K236-N288 PolarHBondContact N-ND2 2.93Å; K236-N288 PolarHBondContact N-OD1 3.41Å; K236-N288 PolarHBondContact O-N 3.42Å; K236-N288 VanDerWaalsContact O-N 3.1Å; K236-N288 PolarHBondContact O-OD1 3.39Å; K236-N288 VanDerWaalsContact O-OD1 3.08Å; K236-C289 PolarHBondContact O-N 2.94Å
237	I	93.6	Very high	88	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125	-167.3	-54.2	167.1	0	0	0	108.8	A235 I239 C289 I291 T327 G344 C346 I349 F362	A235-I237 HydrophobicContact CB-CD1 4.26Å; A235-I237 HydrophobicContact CB-CG1 3.89Å; I237-I239 HydrophobicContact CG2-CG1 4Å; I237-C289 WeakPolarHBondContact CA-O 3.48Å; I237-C289 HydrophobicContact CG1-CB 4.06Å; I237-I291 HydrophobicContact CG2-CD1 3.59Å; I237-I291 HydrophobicContact CG2-CG1 3.86Å; I237-T327 HydrophobicContact CD1-CG2 3.5Å; I237-G344 PolarHBondContact N-O 3.05Å; I237-G344 PolarHBondContact O-N 3.32Å; I237-C346 HydrophobicContact CD1-CB 4.29Å; I237-I349 HydrophobicContact CD1-CD1 3.98Å; I237-I349 HydrophobicContact CG1-CD1 4.09Å; I237-F362 HydrophobicContact CD1-CD1 4.1Å; I237-F362 HydrophobicContact CD1-CE1 4.07Å
238	L	94.4	Very high	87.2	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121	165.4	-179.4	69.9	0	0	0	109.1	I282 I287 C289 F290 I291 A332 F335 V341 L343	L238-I282 HydrophobicContact CD2-CG2 3.83Å; L238-I287 HydrophobicContact CB-CB 4.47Å; L238-I287 HydrophobicContact CB-CD1 3.78Å; L238-I287 HydrophobicContact CB-CG2 3.78Å; L238-I287 HydrophobicContact CD2-CD1 4.06Å; L238-C289 PolarHBondContact N-O 3.46Å; L238-F290 HydrophobicContact CB-CD2 4.29Å; L238-F290 HydrophobicContact CD2-CD2 3.95Å; L238-F290 HydrophobicContact CD2-CE2 4Å; L238-F290 HydrophobicContact CG-CD2 4.3Å; L238-F290 HydrophobicContact CG-CE2 4.47Å; L238-I291 PolarHBondContact O-N 3.14Å; L238-A332 HydrophobicContact CD1-CB 4.19Å; L238-F335 HydrophobicContact CD2-CD1 3.97Å; L238-F335 HydrophobicContact CD2-CE1 3.95Å; L238-V341 HydrophobicContact CD1-CG1 3.67Å; L238-L343 HydrophobicContact CB-CD2 4.09Å; L238-L343 HydrophobicContact CD1-CD2 3.69Å; L238-L343 HydrophobicContact CG-CD2 4.49Å
239	I	94.4	Very high	86.1	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.4	177.3	-59.1	176.9	0	0	0	107.5	I237 V320 L323 A324 I331 A332	I237-I239 HydrophobicContact CG2-CG1 4Å; I239-V320 HydrophobicContact CG2-CB 4.37Å; I239-V320 HydrophobicContact CG2-CG1 3.26Å; I239-L323 HydrophobicContact CD1-CB 3.87Å; I239-A324 HydrophobicContact CD1-CB 4.14Å; I239-I331 HydrophobicContact CG2-CG1 4.14Å; I239-A332 PolarHBondContact O-N 3.01Å
240	A	93.1	Very high	85.2	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.2	-169.2	0	0	0	0	0	113.8	T242 F290 I291 N292 R293 A332 F335	A240-T242 HydrophobicContact CB-CG2 4.36Å; A240-F290 HydrophobicContact CB-CD2 4.47Å; A240-F290 HydrophobicContact CB-CE2 3.46Å; A240-F290 VanDerWaalsContact CB-CE2 3.46Å; A240-F290 HydrophobicContact CB-CZ 3.76Å; A240-I291 PolarHBondContact N-O 3.04Å; A240-N292 WeakPolarHBondContact O-CA 3.45Å; A240-N292 PolarHBondContact O-OD1 3.09Å; A240-R293 PolarHBondContact O-N 3.37Å; A240-A332 CarbonylContact C-O 3.57Å; A240-A332 WeakPolarHBondContact CA-O 3.27Å; A240-F335 HydrophobicContact CB-CE1 3.94Å; A240-F335 HydrophobicContact CB-CZ 3.85Å
241	N	92.6	Very high	84.3	Confident	37 Å²	37	64.6 Å²	64.6	20%	0.198	31%	0.314	C	S	.	.			trans	-128.1	78.4	167.9	179	14.5	0	0	0	110.1	R293 Q294 I331 A332	N241-R293 HydrophobicContact CB-CB 4.28Å; N241-R293 VanDerWaalsContact CG-CZ 3.41Å; N241-R293 PolarHBondContact ND2-NH1 3.19Å; N241-R293 VanDerWaalsContact ND2-NH1 3.17Å; N241-R293 PolarHBondContact OD1-NE 2.99Å; N241-R293 PolarHBondContact OD1-NH2 3.48Å; N241-R293 VanDerWaalsContact OD1-NH2 3.07Å; N241-Q294 PolarHBondContact OD1-NE2 3.34Å; N241-I331 HydrophobicContact CB-CG2 4.09Å; N241-A332 PolarHBondContact N-O 3.05Å
242	T	89.7	Confident	83.1	Confident	12 Å²	12	68 Å²	68	7%	0.074	33%	0.333	C	S	.	.			trans	-134.5	149.1	-179.8	178.2	0	0	0	0	111.7	A240 M244 K278 F290 N292 Q294 F335	A240-T242 HydrophobicContact CB-CG2 4.36Å; T242-M244 HydrophobicContact CG2-CG 4.09Å; T242-M244 HydrophobicContact CG2-SD 3.82Å; T242-K278 WeakPolarHBondContact OG1-CE 3.48Å; T242-K278 PolarHBondContact OG1-NZ 3.07Å; T242-F290 HydrophobicContact CG2-CZ 4.31Å; T242-N292 PolarHBondContact N-OD1 2.78Å; T242-N292 VanDerWaalsContact N-OD1 3.1Å; T242-N292 PolarHBondContact O-ND2 3.28Å; T242-N292 PolarHBondContact O-OD1 2.98Å; T242-Q294 WeakPolarHBondContact O-CB 3.36Å; T242-F335 HydrophobicContact CG2-CE2 3.59Å; T242-F335 HydrophobicContact CG2-CZ 3.53Å
243	G	87.8	Confident	82.1	Confident	21 Å²	21	70.6 Å²	70.6	22%	0.216	36%	0.363	C	S	.	.			trans	-70.4	131.3	167.5	0	0	0	0	0	111.1	K278	G243-K278 PolarHBondContact O-NZ 2.9Å
244	M	87	Confident	81	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-124	31.6	177.8	-60.3	-65.2	-66.8	0	0	111.2	T242 M275 K278 V279 I282 I296 Y297 P300 F304	T242-M244 HydrophobicContact CG2-CG 4.09Å; T242-M244 HydrophobicContact CG2-SD 3.82Å; M244-M275 HydrophobicContact CE-SD 4.26Å; M244-K278 HydrophobicContact SD-CD 4.43Å; M244-V279 HydrophobicContact CE-CG2 3.88Å; M244-I282 HydrophobicContact CE-CD1 4.34Å; M244-I282 HydrophobicContact SD-CD1 4.28Å; M244-I296 HydrophobicContact CB-CB 4.49Å; M244-I296 HydrophobicContact CB-CG1 4.37Å; M244-I296 HydrophobicContact CB-CG2 4.45Å; M244-I296 HydrophobicContact CG-CG1 4.37Å; M244-Y297 PolarHBondContact O-N 3.37Å; M244-P300 HydrophobicContact CB-CG 4.48Å; M244-P300 HydrophobicContact CE-CB 3.67Å; M244-P300 HydrophobicContact CE-CG 4.15Å; M244-F304 HydrophobicContact CE-CE2 3.73Å; M244-F304 HydrophobicContact CE-CZ 3.98Å
245	D	81.3	Confident	80.3	Confident	75 Å²	75	72.6 Å²	72.6	40%	0.401	37%	0.367	S	S	.	.	S	Bend	trans	-106	-70.9	174	177.6	15.5	0	0	0	109.3	M275 Y297	D245-M275 WeakPolarHBondContact O-CE 3.4Å; D245-Y297 HydrophobicContact CB-CD1 4.41Å; D245-Y297 HydrophobicContact CB-CD2 3.5Å; D245-Y297 HydrophobicContact CB-CE1 4.22Å; D245-Y297 HydrophobicContact CB-CE2 3.32Å; D245-Y297 HydrophobicContact CB-CG 4.07Å; D245-Y297 VanDerWaalsContact CG-CE1 3.47Å; D245-Y297 VanDerWaalsContact CG-CE2 3.47Å; D245-Y297 WeakPolarHBondContact OD1-CD1 3.47Å; D245-Y297 WeakPolarHBondContact OD1-CE1 3.16Å; D245-Y297 PolarHBondContact OD2-OH 2.89Å
246	T	72.3	Confident	79.5	Confident	50 Å²	50	77.8 Å²	77.8	31%	0.307	40%	0.398	S	S	.	.			trans	-131.2	130.7	178.6	52.6	0	0	0	0	108.9	K248	T246-K248 PolarHBondContact O-N 3.14Å; T246-K248 WeakPolarHBondContact OG1-CE 3.19Å
247	D	65.9	Low	79	Confident	69 Å²	69	82.6 Å²	82.6	37%	0.369	41%	0.413	S	S	.	.			trans	-84.1	58.3	172.9	-148.3	39.1	0	0	0	109	I249 K278	D247-I249 PolarHBondContact O-N 2.99Å; D247-K278 IonicContact OD1-NZ 2.8Å; D247-K278 PolarHBondContact OD1-NZ 3.5Å
248	K	64.5	Low	78.5	Confident	149 Å²	149	84.8 Å²	84.8	65%	0.648	43%	0.426	S	S	*	.			trans	-66.3	136.4	179.3	-74.1	-178.9	-173.3	173.7	0	109.4	T246 K250	T246-K248 PolarHBondContact O-N 3.14Å; T246-K248 WeakPolarHBondContact OG1-CE 3.19Å; K248-K250 PolarHBondContact O-N 3.39Å
249	I	65.2	Low	78.2	Confident	108 Å²	108	91.4 Å²	91.4	55%	0.554	46%	0.462	S	S	*	.			trans	-58.4	123.2	167.1	-53.7	172.8	0	0	0	106.6	D247 I251	D247-I249 PolarHBondContact O-N 2.99Å; I249-I251 HydrophobicContact CG2-CB 4.18Å; I249-I251 HydrophobicContact CG2-CD1 3.61Å; I249-I251 HydrophobicContact CG2-CG1 3.73Å; I249-I251 PolarHBondContact O-N 2.97Å
250	K	67.6	Low	77.9	Confident	204 Å²	204	93.8 Å²	93.8	89%	0.887	48%	0.479	S	S	*	.	S	Bend	trans	-66.3	18.4	-176.7	-65.9	-176.4	178.8	176.9	0	114.4	K248 F252	K248-K250 PolarHBondContact O-N 3.39Å; K250-F252 PolarHBondContact O-N 3.09Å
251	I	69.6	Low	77.7	Confident	114 Å²	114	99.9 Å²	99.9	59%	0.585	52%	0.516	S	S	*	.			trans	-85.8	105.1	174.5	-60.8	168.7	0	0	0	107.7	I249 G253 S254	I249-I251 HydrophobicContact CG2-CB 4.18Å; I249-I251 HydrophobicContact CG2-CD1 3.61Å; I249-I251 HydrophobicContact CG2-CG1 3.73Å; I249-I251 PolarHBondContact O-N 2.97Å; I251-G253 PolarHBondContact O-N 3.23Å; I251-S254 PolarHBondContact O-N 3.32Å; I251-S254 PolarHBondContact O-OG 3.39Å
252	F	67.9	Low	77.6	Confident	209 Å²	209	100.9 Å²	100.9	92%	0.917	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	129.5	172.2	-88.8	-84.6	0	0	0	110.5	K250	K250-F252 PolarHBondContact O-N 3.09Å
253	G	69	Low	77.5	Confident	69 Å²	69	104.4 Å²	104.4	71%	0.711	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	5.3	177.2	0	0	0	0	0	115.5	I251 R255	I251-G253 PolarHBondContact O-N 3.23Å; G253-R255 PolarHBondContact O-N 2.9Å
254	S	70.5	Confident	77.5	Confident	70 Å²	70	107.1 Å²	107.1	49%	0.49	56%	0.556	S	S	.	*			trans	-61.6	102.8	168.4	51.7	0	0	0	0	110	I251	I251-S254 PolarHBondContact O-N 3.32Å; I251-S254 PolarHBondContact O-OG 3.39Å
255	R	74.7	Confident	77.5	Confident	213 Å²	213	109.8 Å²	109.8	80%	0.804	58%	0.578	S	S	*	*			trans	-109.7	119.4	173.6	-70.6	-176.4	177.4	-177.1	0.1	108	G253 R257	G253-R255 PolarHBondContact O-N 2.9Å; R255-R257 PolarHBondContact O-N 3.43Å
256	V	76.3	Confident	77.9	Confident	111 Å²	111	112.4 Å²	112.4	67%	0.673	59%	0.588	S	S	*	*			trans	-87.1	110.2	171.8	-171.9	0	0	0	0	107.5	V258 I267	V256-V258 HydrophobicContact CG1-CG2 3.98Å; V256-I267 HydrophobicContact CG1-CD1 3.62Å
257	R	82	Confident	78.5	Confident	221 Å²	221	112.6 Å²	112.6	83%	0.834	59%	0.586	S	S	*	*			trans	-91.5	134.1	171	-70.4	-175.5	-178.1	176.5	1.3	108.6	R255	R255-R257 PolarHBondContact O-N 3.43Å
258	V	83.5	Confident	79.4	Confident	45 Å²	45	114 Å²	114	27%	0.273	59%	0.591	S	S	.	*			trans	-128.7	133.3	-170.4	-168.1	0	0	0	0	109.3	V256 S260 K263 V264 I267	V256-V258 HydrophobicContact CG1-CG2 3.98Å; V258-S260 VanDerWaalsContact CG1-O 3.29Å; V258-S260 WeakPolarHBondContact CG1-O 3.41Å; V258-K263 HydrophobicContact CG1-CB 3.06Å; V258-K263 HydrophobicContact CG1-CD 3.83Å; V258-K263 HydrophobicContact CG1-CG 4.1Å; V258-V264 HydrophobicContact CB-CG2 3.98Å; V258-V264 HydrophobicContact CG1-CG2 3.94Å; V258-V264 HydrophobicContact CG2-CG2 4.2Å; V258-I267 HydrophobicContact CG2-CD1 3.37Å
259	D	87.7	Confident	80.6	Confident	140 Å²	140	112.4 Å²	112.4	75%	0.749	59%	0.585	S	S	*	*	S	Bend	trans	-83.4	-14.3	-174.7	-42.9	-56.1	0	0	0	113.7	K263	D259-K263 IonicContact OD2-NZ 2.7Å; D259-K263 PolarHBondContact OD2-NZ 2.93Å
260	S	87.6	Confident	81.6	Confident	51 Å²	51	109.5 Å²	109.5	36%	0.357	58%	0.577	S	S	.	*	S	Bend	trans	-146.5	153.6	-176.1	69	0	0	0	0	112.1	V258 A262 K263 V264	V258-S260 VanDerWaalsContact CG1-O 3.29Å; V258-S260 WeakPolarHBondContact CG1-O 3.41Å; S260-A262 VanDerWaalsContact C-N 3.25Å; S260-A262 PolarHBondContact O-N 3.44Å; S260-K263 PolarHBondContact O-N 3.38Å; S260-K263 PolarHBondContact OG-N 3.03Å; S260-V264 PolarHBondContact O-N 2.99Å
261	T	89.2	Confident	82.5	Confident	129 Å²	129	104.6 Å²	104.6	79%	0.791	56%	0.557	S	S	*	*	H	α-helix	trans	-63.1	-31	175.1	49	0	0	0	0	112.6	V264 A265	T261-V264 WeakPolarHBondContact O-CB 3.4Å; T261-V264 PolarHBondContact O-N 3.3Å; T261-V264 VanDerWaalsContact O-N 3.16Å; T261-A265 PolarHBondContact O-N 2.96Å
262	A	90.5	Very high	83.3	Confident	57 Å²	57	103.4 Å²	103.4	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-60.8	-45.8	176.8	0	0	0	0	0	112.3	S260 V264 A265 E266	S260-A262 VanDerWaalsContact C-N 3.25Å; S260-A262 PolarHBondContact O-N 3.44Å; A262-V264 PolarHBondContact O-N 3.26Å; A262-A265 WeakPolarHBondContact O-CB 3.45Å; A262-A265 PolarHBondContact O-N 3.28Å; A262-A265 VanDerWaalsContact O-N 3.13Å; A262-E266 PolarHBondContact O-N 3.46Å
263	K	87.4	Confident	84.4	Confident	87 Å²	87	96.6 Å²	96.6	38%	0.378	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-26.5	176.5	-74.8	180	-177	-176.2	0	112.4	V258 D259 S260 E266 I267	V258-K263 HydrophobicContact CG1-CB 3.06Å; V258-K263 HydrophobicContact CG1-CD 3.83Å; V258-K263 HydrophobicContact CG1-CG 4.1Å; D259-K263 IonicContact OD2-NZ 2.7Å; D259-K263 PolarHBondContact OD2-NZ 2.93Å; S260-K263 PolarHBondContact O-N 3.38Å; S260-K263 PolarHBondContact OG-N 3.03Å; K263-E266 PolarHBondContact O-N 3.07Å; K263-I267 WeakPolarHBondContact O-CD1 3.44Å; K263-I267 VanDerWaalsContact O-CG1 3.27Å; K263-I267 WeakPolarHBondContact O-CG1 3.17Å; K263-I267 PolarHBondContact O-N 3.06Å
264	V	87.2	Confident	85.3	Confident	78 Å²	78	97.8 Å²	97.8	47%	0.473	51%	0.505	S	S	.	.	H	α-helix	trans	-67.1	-42.8	173.1	179	0	0	0	0	110.4	V258 S260 T261 A262 E266 I267 E268	V258-V264 HydrophobicContact CB-CG2 3.98Å; V258-V264 HydrophobicContact CG1-CG2 3.94Å; V258-V264 HydrophobicContact CG2-CG2 4.2Å; S260-V264 PolarHBondContact O-N 2.99Å; T261-V264 WeakPolarHBondContact O-CB 3.4Å; T261-V264 PolarHBondContact O-N 3.3Å; T261-V264 VanDerWaalsContact O-N 3.16Å; A262-V264 PolarHBondContact O-N 3.26Å; V264-E266 VanDerWaalsContact C-N 3.32Å; V264-E266 PolarHBondContact O-N 2.94Å; V264-I267 PolarHBondContact O-N 3.48Å; V264-E268 PolarHBondContact O-N 3.37Å
265	A	88.6	Confident	86.2	Confident	56 Å²	56	94.8 Å²	94.8	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-64.2	-36.9	174.9	0	0	0	0	0	112.2	T261 A262 E268 H269	T261-A265 PolarHBondContact O-N 2.96Å; A262-A265 WeakPolarHBondContact O-CB 3.45Å; A262-A265 PolarHBondContact O-N 3.28Å; A262-A265 VanDerWaalsContact O-N 3.13Å; A265-E268 PolarHBondContact O-N 3.33Å; A265-H269 WeakPolarHBondContact O-CB 3.47Å; A265-H269 PolarHBondContact O-N 3.36Å
266	E	88.7	Confident	87	Confident	130 Å²	130	87.8 Å²	87.8	61%	0.607	46%	0.459	S	S	*	.	H	α-helix	trans	-61.6	-41.6	172.7	-69.1	170.2	-170.2	0	0	112	A262 K263 V264 H269 A270	A262-E266 PolarHBondContact O-N 3.46Å; K263-E266 PolarHBondContact O-N 3.07Å; V264-E266 VanDerWaalsContact C-N 3.32Å; V264-E266 PolarHBondContact O-N 2.94Å; E266-H269 PolarHBondContact O-N 3.21Å; E266-A270 WeakPolarHBondContact O-CB 3.49Å; E266-A270 PolarHBondContact O-N 2.81Å
267	I	85.5	Confident	87.8	Confident	55 Å²	55	87.4 Å²	87.4	28%	0.282	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-44.4	176.5	-68.5	159.1	0	0	0	110.8	V256 V258 K263 V264 H269 A270 E271	V256-I267 HydrophobicContact CG1-CD1 3.62Å; V258-I267 HydrophobicContact CG2-CD1 3.37Å; K263-I267 WeakPolarHBondContact O-CD1 3.44Å; K263-I267 VanDerWaalsContact O-CG1 3.27Å; K263-I267 WeakPolarHBondContact O-CG1 3.17Å; K263-I267 PolarHBondContact O-N 3.06Å; V264-I267 PolarHBondContact O-N 3.48Å; I267-H269 VanDerWaalsContact C-N 3.3Å; I267-H269 PolarHBondContact O-N 3Å; I267-A270 PolarHBondContact O-N 2.94Å; I267-E271 WeakPolarHBondContact O-CG 3.33Å; I267-E271 PolarHBondContact O-N 3.48Å
268	E	85.2	Confident	88.2	Confident	99 Å²	99	77.7 Å²	77.7	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-60	-42.6	176.6	-167.9	-166.8	150	0	0	111.3	V264 A265 E271 K272	V264-E268 PolarHBondContact O-N 3.37Å; A265-E268 PolarHBondContact O-N 3.33Å; E268-E271 PolarHBondContact O-N 3.26Å; E268-K272 WeakPolarHBondContact O-CG 3.44Å; E268-K272 PolarHBondContact O-N 3.03Å; E268-K272 VanDerWaalsContact O-N 3.1Å; E268-K272 WeakPolarHBondContact OE1-CE 3.35Å; E268-K272 IonicContact OE1-NZ 2.7Å; E268-K272 PolarHBondContact OE1-NZ 3.48Å
269	H	88.8	Confident	88.6	Confident	115 Å²	115	75.6 Å²	75.6	53%	0.532	40%	0.401	S	S	.	.	H	α-helix	trans	-64.5	-41.8	175	-170.2	-68.2	0	0	0	111.7	A265 E266 I267 E271 K272 E273	A265-H269 WeakPolarHBondContact O-CB 3.47Å; A265-H269 PolarHBondContact O-N 3.36Å; E266-H269 PolarHBondContact O-N 3.21Å; I267-H269 VanDerWaalsContact C-N 3.3Å; I267-H269 PolarHBondContact O-N 3Å; H269-E271 VanDerWaalsContact C-N 3.33Å; H269-E271 PolarHBondContact O-N 2.96Å; H269-K272 PolarHBondContact O-N 3.2Å; H269-E273 VanDerWaalsContact CE1-CG 3.46Å; H269-E273 WeakPolarHBondContact CE1-CG 3.33Å; H269-E273 IonicContact CE1-OE1 2.66Å; H269-E273 PolarHBondContact O-N 2.91Å
270	A	87.2	Confident	88.8	Confident	47 Å²	47	73.2 Å²	73.2	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-36.3	177.3	0	0	0	0	0	112.4	E266 I267 K274	E266-A270 WeakPolarHBondContact O-CB 3.49Å; E266-A270 PolarHBondContact O-N 2.81Å; I267-A270 PolarHBondContact O-N 2.94Å; A270-K274 WeakPolarHBondContact O-CB 3.49Å; A270-K274 WeakPolarHBondContact O-CG 3.35Å; A270-K274 PolarHBondContact O-N 3.08Å
271	E	84.5	Confident	89	Confident	100 Å²	100	74.4 Å²	74.4	47%	0.467	38%	0.382	S	S	.	.	H	α-helix	trans	-65.9	-41.6	173.8	-73.7	-174.1	167.1	0	0	111.9	I267 E268 H269 K274 M275	I267-E271 WeakPolarHBondContact O-CG 3.33Å; I267-E271 PolarHBondContact O-N 3.48Å; E268-E271 PolarHBondContact O-N 3.26Å; H269-E271 VanDerWaalsContact C-N 3.33Å; H269-E271 PolarHBondContact O-N 2.96Å; E271-K274 PolarHBondContact O-N 2.97Å; E271-M275 PolarHBondContact O-N 3.2Å
272	K	87.6	Confident	89.1	Confident	90 Å²	90	68.3 Å²	68.3	39%	0.391	34%	0.344	S	S	.	.	H	α-helix	trans	-63	-46.5	174.4	-72.6	176.2	-172.6	165.2	0	111.9	E268 H269 K274 M275 K276 Y299	E268-K272 WeakPolarHBondContact O-CG 3.44Å; E268-K272 PolarHBondContact O-N 3.03Å; E268-K272 VanDerWaalsContact O-N 3.1Å; E268-K272 WeakPolarHBondContact OE1-CE 3.35Å; E268-K272 IonicContact OE1-NZ 2.7Å; E268-K272 PolarHBondContact OE1-NZ 3.48Å; H269-K272 PolarHBondContact O-N 3.2Å; K272-K274 PolarHBondContact O-N 3.24Å; K272-M275 PolarHBondContact O-N 3.39Å; K272-K276 WeakPolarHBondContact O-CB 3.48Å; K272-K276 PolarHBondContact O-N 2.99Å; K272-Y299 HydrophobicContact CB-CE1 4.04Å; K272-Y299 HydrophobicContact CG-CE1 4.37Å; K272-Y299 WeakPolarHBondContact O-CE1 3.37Å
273	E	90.9	Very high	89.1	Confident	65 Å²	65	68.1 Å²	68.1	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-41.4	178.1	-72.8	-60.2	126.7	0	0	112	H269 M275 K276 E277	H269-E273 VanDerWaalsContact CE1-CG 3.46Å; H269-E273 WeakPolarHBondContact CE1-CG 3.33Å; H269-E273 IonicContact CE1-OE1 2.66Å; H269-E273 PolarHBondContact O-N 2.91Å; E273-M275 VanDerWaalsContact C-N 3.29Å; E273-M275 PolarHBondContact O-N 3.4Å; E273-K276 CarbonylContact O-C 3.57Å; E273-K276 WeakPolarHBondContact O-CB 3.08Å; E273-K276 PolarHBondContact O-N 3.49Å; E273-K276 VanDerWaalsContact O-N 3.14Å; E273-K276 IonicContact OE1-NZ 3.46Å; E273-K276 IonicContact OE2-NZ 2.89Å; E273-E277 WeakPolarHBondContact O-CG 3.43Å; E273-E277 PolarHBondContact O-N 3.41Å
274	K	87.9	Confident	89.3	Confident	94 Å²	94	71.4 Å²	71.4	41%	0.409	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-41.7	173.3	-79.2	179.9	178.2	-178.2	0	112.7	A270 E271 K272 K276 E277 K278	A270-K274 WeakPolarHBondContact O-CB 3.49Å; A270-K274 WeakPolarHBondContact O-CG 3.35Å; A270-K274 PolarHBondContact O-N 3.08Å; E271-K274 PolarHBondContact O-N 2.97Å; K272-K274 PolarHBondContact O-N 3.24Å; K274-K276 VanDerWaalsContact C-N 3.34Å; K274-E277 PolarHBondContact O-N 3.27Å; K274-K278 WeakPolarHBondContact O-CB 3.41Å; K274-K278 PolarHBondContact O-N 3.36Å
275	M	89.5	Confident	89.4	Confident	8 Å²	8	68.5 Å²	68.5	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-42.1	177	-172.5	57.2	69.9	0	0	110.9	M244 D245 E271 K272 E273 K278 V279 Y299 P300	M244-M275 HydrophobicContact CE-SD 4.26Å; D245-M275 WeakPolarHBondContact O-CE 3.4Å; E271-M275 PolarHBondContact O-N 3.2Å; K272-M275 PolarHBondContact O-N 3.39Å; E273-M275 VanDerWaalsContact C-N 3.29Å; E273-M275 PolarHBondContact O-N 3.4Å; M275-K278 WeakPolarHBondContact O-CB 3.38Å; M275-K278 PolarHBondContact O-N 3.35Å; M275-K278 HydrophobicContact SD-CD 4.33Å; M275-V279 WeakPolarHBondContact O-CG2 3.45Å; M275-V279 PolarHBondContact O-N 3.15Å; M275-Y299 HydrophobicContact CB-CD1 4.38Å; M275-Y299 HydrophobicContact CB-CE1 4.38Å; M275-Y299 HydrophobicContact CG-CD1 4.22Å; M275-P300 HydrophobicContact CG-CG 3.53Å; M275-P300 HydrophobicContact SD-CG 3.7Å
276	K	91.9	Very high	89.5	Confident	66 Å²	66	68.1 Å²	68.1	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-46.7	174.8	-176.1	-174.6	168.7	-161.7	0	112.2	K272 E273 K274 K278 V279 E280 L303	K272-K276 WeakPolarHBondContact O-CB 3.48Å; K272-K276 PolarHBondContact O-N 2.99Å; E273-K276 CarbonylContact O-C 3.57Å; E273-K276 WeakPolarHBondContact O-CB 3.08Å; E273-K276 PolarHBondContact O-N 3.49Å; E273-K276 VanDerWaalsContact O-N 3.14Å; E273-K276 IonicContact OE1-NZ 3.46Å; E273-K276 IonicContact OE2-NZ 2.89Å; K274-K276 VanDerWaalsContact C-N 3.34Å; K276-K278 PolarHBondContact O-N 3.2Å; K276-V279 PolarHBondContact O-N 2.7Å; K276-V279 VanDerWaalsContact O-N 3.15Å; K276-E280 WeakPolarHBondContact CE-OE1 3.37Å; K276-E280 WeakPolarHBondContact O-CG 3.41Å; K276-E280 PolarHBondContact O-N 3.07Å; K276-L303 HydrophobicContact CB-CD1 4.08Å; K276-L303 HydrophobicContact CG-CD1 4.18Å; K276-L303 HydrophobicContact CG-CD2 4.5Å
277	E	91.5	Very high	89.6	Confident	103 Å²	103	62.5 Å²	62.5	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-57.9	-37	173.9	-73.2	175.2	-177.9	0	0	112.2	E273 K274 R281	E273-E277 WeakPolarHBondContact O-CG 3.43Å; E273-E277 PolarHBondContact O-N 3.41Å; K274-E277 PolarHBondContact O-N 3.27Å; E277-R281 WeakPolarHBondContact O-CB 3.24Å; E277-R281 WeakPolarHBondContact O-CG 3.34Å; E277-R281 PolarHBondContact O-N 3.26Å; E277-R281 PolarHBondContact O-NE 3.42Å
278	K	90.9	Very high	90	Very high	16 Å²	16	61.8 Å²	61.8	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-67.8	-44.4	175.6	-171.7	177.7	-172.1	170.8	0	111.8	T242 G243 M244 D247 K274 M275 K276 R281 I282	T242-K278 WeakPolarHBondContact OG1-CE 3.48Å; T242-K278 PolarHBondContact OG1-NZ 3.07Å; G243-K278 PolarHBondContact O-NZ 2.9Å; M244-K278 HydrophobicContact SD-CD 4.43Å; D247-K278 IonicContact OD1-NZ 2.8Å; D247-K278 PolarHBondContact OD1-NZ 3.5Å; K274-K278 WeakPolarHBondContact O-CB 3.41Å; K274-K278 PolarHBondContact O-N 3.36Å; M275-K278 WeakPolarHBondContact O-CB 3.38Å; M275-K278 PolarHBondContact O-N 3.35Å; M275-K278 HydrophobicContact SD-CD 4.33Å; K276-K278 PolarHBondContact O-N 3.2Å; K278-R281 WeakPolarHBondContact O-CB 3.47Å; K278-R281 PolarHBondContact O-N 3.15Å; K278-I282 WeakPolarHBondContact O-CG1 3.35Å; K278-I282 PolarHBondContact O-N 2.78Å; K278-I282 VanDerWaalsContact O-N 3.1Å
279	V	91.7	Very high	90.4	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-43.4	173.7	179.9	0	0	0	0	110.6	M244 M275 K276 R281 I282 L283 P300 L303 F304	M244-V279 HydrophobicContact CE-CG2 3.88Å; M275-V279 WeakPolarHBondContact O-CG2 3.45Å; M275-V279 PolarHBondContact O-N 3.15Å; K276-V279 PolarHBondContact O-N 2.7Å; K276-V279 VanDerWaalsContact O-N 3.15Å; V279-R281 VanDerWaalsContact C-N 3.32Å; V279-R281 PolarHBondContact O-N 3.06Å; V279-I282 CarbonylContact O-C 3.59Å; V279-I282 WeakPolarHBondContact O-CA 3.35Å; V279-I282 WeakPolarHBondContact O-CB 3.44Å; V279-I282 PolarHBondContact O-N 2.89Å; V279-L283 HydrophobicContact CG1-CD1 4.03Å; V279-L283 HydrophobicContact CG1-CG 4.2Å; V279-L283 WeakPolarHBondContact O-CG 3.39Å; V279-L283 PolarHBondContact O-N 2.96Å; V279-P300 HydrophobicContact CG2-CB 4.21Å; V279-L303 HydrophobicContact CB-CB 4.41Å; V279-L303 HydrophobicContact CB-CD1 4.06Å; V279-L303 HydrophobicContact CG1-CB 3.87Å; V279-L303 HydrophobicContact CG1-CD1 4.43Å; V279-L303 HydrophobicContact CG2-CB 4.43Å; V279-L303 HydrophobicContact CG2-CD1 3.87Å; V279-F304 HydrophobicContact CG1-CD1 4.02Å; V279-F304 HydrophobicContact CG1-CE1 3.75Å; V279-F304 HydrophobicContact CG1-CE2 4.47Å; V279-F304 HydrophobicContact CG1-CG 4.49Å; V279-F304 HydrophobicContact CG1-CZ 3.99Å; V279-F304 HydrophobicContact CG2-CE2 4.46Å; V279-F304 HydrophobicContact CG2-CZ 4.38Å
280	E	92.3	Very high	90.7	Very high	89 Å²	89	51.6 Å²	51.6	42%	0.416	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-39.7	176.1	-73.9	177.3	-172.2	0	0	112.2	K276 I282 L283 K284	K276-E280 WeakPolarHBondContact CE-OE1 3.37Å; K276-E280 WeakPolarHBondContact O-CG 3.41Å; K276-E280 PolarHBondContact O-N 3.07Å; E280-I282 VanDerWaalsContact C-N 3.31Å; E280-I282 PolarHBondContact O-N 2.77Å; E280-L283 PolarHBondContact O-N 3.38Å; E280-K284 WeakPolarHBondContact O-CG 3.26Å; E280-K284 PolarHBondContact O-N 2.88Å
281	R	91.1	Very high	91	Very high	77 Å²	77	49.4 Å²	49.4	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-59.4	-40.8	171.7	-80.5	-177.5	-79.7	167.2	-5.3	112.2	E277 K278 V279 H285 F335 D336	E277-R281 WeakPolarHBondContact O-CB 3.24Å; E277-R281 WeakPolarHBondContact O-CG 3.34Å; E277-R281 PolarHBondContact O-N 3.26Å; E277-R281 PolarHBondContact O-NE 3.42Å; K278-R281 WeakPolarHBondContact O-CB 3.47Å; K278-R281 PolarHBondContact O-N 3.15Å; V279-R281 VanDerWaalsContact C-N 3.32Å; V279-R281 PolarHBondContact O-N 3.06Å; R281-H285 PolarHBondContact O-CD2 3.46Å; R281-F335 HydrophobicContact CB-CB 4.44Å; R281-D336 WeakPolarHBondContact CD-OD1 3.1Å; R281-D336 IonicContact CZ-OD1 3.43Å; R281-D336 IonicContact NH1-OD1 2.73Å; R281-D336 PolarHBondContact NH1-OD1 3.36Å
282	I	92.3	Very high	91.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-42.1	175.3	-69	164.2	0	0	0	111.1	L238 M244 K278 V279 E280 K284 H285 I287 F290 F304 F335	L238-I282 HydrophobicContact CD2-CG2 3.83Å; M244-I282 HydrophobicContact CE-CD1 4.34Å; M244-I282 HydrophobicContact SD-CD1 4.28Å; K278-I282 WeakPolarHBondContact O-CG1 3.35Å; K278-I282 PolarHBondContact O-N 2.78Å; K278-I282 VanDerWaalsContact O-N 3.1Å; V279-I282 CarbonylContact O-C 3.59Å; V279-I282 WeakPolarHBondContact O-CA 3.35Å; V279-I282 WeakPolarHBondContact O-CB 3.44Å; V279-I282 PolarHBondContact O-N 2.89Å; E280-I282 VanDerWaalsContact C-N 3.31Å; E280-I282 PolarHBondContact O-N 2.77Å; I282-K284 VanDerWaalsContact C-N 3.29Å; I282-K284 PolarHBondContact O-N 3.38Å; I282-H285 WeakPolarHBondContact O-CB 3.47Å; I282-H285 PolarHBondContact O-CD2 2.93Å; I282-H285 VanDerWaalsContact O-CD2 3.24Å; I282-H285 PolarHBondContact O-N 2.99Å; I282-I287 HydrophobicContact CG2-CD1 3.59Å; I282-F290 HydrophobicContact CD1-CE2 3.99Å; I282-F290 HydrophobicContact CD1-CZ 3.9Å; I282-F290 HydrophobicContact CG1-CE2 4.47Å; I282-F290 HydrophobicContact CG2-CD2 3.74Å; I282-F290 HydrophobicContact CG2-CE2 3.9Å; I282-F290 HydrophobicContact CG2-CG 4.38Å; I282-F304 HydrophobicContact CD1-CZ 4.25Å; I282-F304 HydrophobicContact CG2-CE1 3.91Å; I282-F304 HydrophobicContact CG2-CZ 4.23Å; I282-F335 HydrophobicContact CD1-CD2 4.23Å; I282-F335 HydrophobicContact CD1-CE2 4.19Å; I282-F335 HydrophobicContact CD1-CG 4.49Å; I282-F335 HydrophobicContact CD1-CZ 4.4Å; I282-F335 HydrophobicContact CG1-CB 4.22Å; I282-F335 HydrophobicContact CG1-CD1 3.89Å; I282-F335 HydrophobicContact CG1-CD2 3.9Å; I282-F335 HydrophobicContact CG1-CE1 4.25Å; I282-F335 HydrophobicContact CG1-CE2 4.27Å; I282-F335 HydrophobicContact CG1-CG 3.71Å; I282-F335 HydrophobicContact CG1-CZ 4.44Å
283	L	91.4	Very high	91.7	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.277	21%	0.21	S	C	.	.	H	α-helix	trans	-66	-29.6	179.4	-67.8	174.3	0	0	0	112.9	V279 E280 H285 G286 F304 A307 V309	V279-L283 HydrophobicContact CG1-CD1 4.03Å; V279-L283 HydrophobicContact CG1-CG 4.2Å; V279-L283 WeakPolarHBondContact O-CG 3.39Å; V279-L283 PolarHBondContact O-N 2.96Å; E280-L283 PolarHBondContact O-N 3.38Å; L283-H285 PolarHBondContact O-N 3.48Å; L283-H285 VanDerWaalsContact O-N 3.09Å; L283-G286 PolarHBondContact O-N 3.2Å; L283-F304 HydrophobicContact CD2-CD1 4.27Å; L283-A307 HydrophobicContact CD1-CB 3.72Å; L283-A307 HydrophobicContact CD2-CB 3.74Å; L283-A307 HydrophobicContact CG-CB 4.41Å; L283-V309 HydrophobicContact CD2-CB 4.34Å; L283-V309 HydrophobicContact CD2-CG2 3.54Å
284	K	91.5	Very high	91.8	Very high	156 Å²	156	44.5 Å²	44.5	68%	0.678	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.5	175	-76.3	174.1	-173.4	177.8	0	114	E280 I282 G286	E280-K284 WeakPolarHBondContact O-CG 3.26Å; E280-K284 PolarHBondContact O-N 2.88Å; I282-K284 VanDerWaalsContact C-N 3.29Å; I282-K284 PolarHBondContact O-N 3.38Å; K284-G286 PolarHBondContact O-N 3.5Å
285	H	89.4	Confident	92	Very high	18 Å²	18	43.8 Å²	43.8	8%	0.083	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.3	173.9	-66.5	-100.4	0	0	0	113.2	R281 I282 L283 I287 F335 P338	R281-H285 PolarHBondContact O-CD2 3.46Å; I282-H285 WeakPolarHBondContact O-CB 3.47Å; I282-H285 PolarHBondContact O-CD2 2.93Å; I282-H285 VanDerWaalsContact O-CD2 3.24Å; I282-H285 PolarHBondContact O-N 2.99Å; L283-H285 PolarHBondContact O-N 3.48Å; L283-H285 VanDerWaalsContact O-N 3.09Å; H285-I287 HydrophobicContact CB-CG2 3.75Å; H285-F335 PolarHBondContact NE2-O 2.96Å; H285-F335 VanDerWaalsContact NE2-O 3.12Å; H285-P338 WeakPolarHBondContact CE1-CA 3.18Å; H285-P338 WeakPolarHBondContact ND1-CA 3.49Å
286	G	88.9	Confident	92	Very high	47 Å²	47	43.7 Å²	43.7	49%	0.485	21%	0.212	S	C	.	.			trans	70	37.7	179.6	0	0	0	0	0	113	K236 L283 K284	K236-G286 WeakPolarHBondContact CD-O 3.43Å; L283-G286 PolarHBondContact O-N 3.2Å; K284-G286 PolarHBondContact O-N 3.5Å
287	I	92.3	Very high	92	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.067	22%	0.219	C	C	.	.			trans	-90	153.6	-177	61.8	168.6	0	0	0	110.7	L238 I282 H285 F290 V309 L343	L238-I287 HydrophobicContact CB-CB 4.47Å; L238-I287 HydrophobicContact CB-CD1 3.78Å; L238-I287 HydrophobicContact CB-CG2 3.78Å; L238-I287 HydrophobicContact CD2-CD1 4.06Å; I282-I287 HydrophobicContact CG2-CD1 3.59Å; H285-I287 HydrophobicContact CB-CG2 3.75Å; I287-F290 HydrophobicContact CD1-CB 3.93Å; I287-F290 HydrophobicContact CD1-CD2 4.1Å; I287-F290 HydrophobicContact CD1-CG 4.45Å; I287-V309 HydrophobicContact CD1-CG1 4.44Å; I287-V309 HydrophobicContact CG1-CG1 4.48Å; I287-L343 HydrophobicContact CG2-CD1 4.02Å; I287-L343 HydrophobicContact CG2-CD2 3.81Å
288	N	93.1	Very high	91.9	Very high	40 Å²	40	47.1 Å²	47.1	21%	0.214	23%	0.229	C	C	.	.	S	Bend	trans	-115.2	-13.4	170.5	60.3	15	0	0	0	112.6	I232 N234 A235 K236 V309 M310	I232-N288 WeakPolarHBondContact CD1-O 3.42Å; I232-N288 HydrophobicContact CG2-CB 4.39Å; N234-N288 PolarHBondContact O-ND2 3.13Å; A235-N288 WeakPolarHBondContact CA-ND2 3.5Å; A235-N288 WeakPolarHBondContact CA-OD1 3.46Å; K236-N288 PolarHBondContact N-ND2 2.93Å; K236-N288 PolarHBondContact N-OD1 3.41Å; K236-N288 PolarHBondContact O-N 3.42Å; K236-N288 VanDerWaalsContact O-N 3.1Å; K236-N288 PolarHBondContact O-OD1 3.39Å; K236-N288 VanDerWaalsContact O-OD1 3.08Å; N288-V309 WeakPolarHBondContact O-CA 3.35Å; N288-M310 PolarHBondContact O-N 2.86Å
289	C	93.7	Very high	91.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.7	173.3	-177.1	0	0	0	0	109.9	K236 I237 L238 M310 I349	K236-C289 PolarHBondContact O-N 2.94Å; I237-C289 WeakPolarHBondContact CA-O 3.48Å; I237-C289 HydrophobicContact CG1-CB 4.06Å; L238-C289 PolarHBondContact N-O 3.46Å; C289-M310 CarbonylContact C-O 3.5Å; C289-M310 WeakPolarHBondContact CA-O 3.3Å; C289-I349 HydrophobicContact CB-CD1 3.88Å
290	F	94.4	Very high	91.9	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.5	175.9	178.7	-112.4	0	0	0	109	L238 A240 T242 I282 I287 N292 I296 F304 V309 M310 A311 I312	L238-F290 HydrophobicContact CB-CD2 4.29Å; L238-F290 HydrophobicContact CD2-CD2 3.95Å; L238-F290 HydrophobicContact CD2-CE2 4Å; L238-F290 HydrophobicContact CG-CD2 4.3Å; L238-F290 HydrophobicContact CG-CE2 4.47Å; A240-F290 HydrophobicContact CB-CD2 4.47Å; A240-F290 HydrophobicContact CB-CE2 3.46Å; A240-F290 VanDerWaalsContact CB-CE2 3.46Å; A240-F290 HydrophobicContact CB-CZ 3.76Å; T242-F290 HydrophobicContact CG2-CZ 4.31Å; I282-F290 HydrophobicContact CD1-CE2 3.99Å; I282-F290 HydrophobicContact CD1-CZ 3.9Å; I282-F290 HydrophobicContact CG1-CE2 4.47Å; I282-F290 HydrophobicContact CG2-CD2 3.74Å; I282-F290 HydrophobicContact CG2-CE2 3.9Å; I282-F290 HydrophobicContact CG2-CG 4.38Å; I287-F290 HydrophobicContact CD1-CB 3.93Å; I287-F290 HydrophobicContact CD1-CD2 4.1Å; I287-F290 HydrophobicContact CD1-CG 4.45Å; F290-N292 HydrophobicContact CE1-CB 3.76Å; F290-N292 HydrophobicContact CZ-CB 4.03Å; F290-I296 HydrophobicContact CD1-CD1 3.83Å; F290-I296 HydrophobicContact CE1-CD1 3.81Å; F290-F304 HydrophobicContact CB-CE1 4.27Å; F290-F304 HydrophobicContact CD1-CD2 4.41Å; F290-F304 HydrophobicContact CD1-CE1 4.04Å; F290-F304 AromaticContact CD1-CE2 3.66Å; F290-F304 HydrophobicContact CD1-CE2 3.66Å; F290-F304 AromaticContact CD1-CZ 3.44Å; F290-F304 HydrophobicContact CD1-CZ 3.44Å; F290-F304 VanDerWaalsContact CD1-CZ 3.44Å; F290-F304 AromaticContact CE1-CE2 3.86Å; F290-F304 HydrophobicContact CE1-CE2 3.86Å; F290-F304 AromaticContact CE1-CZ 3.67Å; F290-F304 HydrophobicContact CE1-CZ 3.67Å; F290-F304 HydrophobicContact CG-CE1 4.11Å; F290-F304 AromaticContact CG-CZ 3.93Å; F290-F304 HydrophobicContact CG-CZ 3.93Å; F290-F304 HydrophobicContact CZ-CZ 4.33Å; F290-V309 HydrophobicContact CB-CG1 4.05Å; F290-M310 PolarHBondContact N-O 3.45Å; F290-A311 CarbonylContact O-C 3.55Å; F290-A311 WeakPolarHBondContact O-CA 3.41Å; F290-I312 PolarHBondContact O-N 2.81Å
291	I	94.5	Very high	91.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.9	178.6	-51.1	-177	0	0	0	108	I237 L238 A240 I312 A315 L323 F362	I237-I291 HydrophobicContact CG2-CD1 3.59Å; I237-I291 HydrophobicContact CG2-CG1 3.86Å; L238-I291 PolarHBondContact O-N 3.14Å; A240-I291 PolarHBondContact N-O 3.04Å; I291-I312 WeakPolarHBondContact CA-O 3.45Å; I291-I312 HydrophobicContact CD1-CD1 4.11Å; I291-I312 HydrophobicContact CG1-CB 4.22Å; I291-I312 HydrophobicContact CG1-CD1 4.05Å; I291-I312 HydrophobicContact CG1-CG1 4.49Å; I291-I312 HydrophobicContact CG2-CB 4.22Å; I291-I312 HydrophobicContact CG2-CG2 4.35Å; I291-A315 HydrophobicContact CG2-CB 3.89Å; I291-L323 HydrophobicContact CD1-CD1 3.79Å; I291-L323 HydrophobicContact CD1-CD2 4.34Å; I291-L323 HydrophobicContact CG2-CD1 3.84Å; I291-F362 HydrophobicContact CD1-CE1 3.84Å; I291-F362 HydrophobicContact CD1-CZ 3.73Å
292	N	94.2	Very high	91.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.7	179.9	-167.5	30.2	0	0	0	111.3	A240 T242 F290 Q294 I296 I312 H314 A315	A240-N292 WeakPolarHBondContact O-CA 3.45Å; A240-N292 PolarHBondContact O-OD1 3.09Å; T242-N292 PolarHBondContact N-OD1 2.78Å; T242-N292 VanDerWaalsContact N-OD1 3.1Å; T242-N292 PolarHBondContact O-ND2 3.28Å; T242-N292 PolarHBondContact O-OD1 2.98Å; F290-N292 HydrophobicContact CE1-CB 3.76Å; F290-N292 HydrophobicContact CZ-CB 4.03Å; N292-Q294 VanDerWaalsContact C-N 3.29Å; N292-Q294 PolarHBondContact ND2-O 3.21Å; N292-Q294 PolarHBondContact O-N 3.3Å; N292-I296 HydrophobicContact CB-CD1 3.96Å; N292-I296 HydrophobicContact CB-CG1 4.06Å; N292-I312 PolarHBondContact N-O 3.31Å; N292-H314 PolarHBondContact O-N 3.47Å; N292-A315 PolarHBondContact O-N 3.21Å
293	R	93.2	Very high	91.9	Very high	81 Å²	81	52 Å²	52	31%	0.306	25%	0.254	S	S	.	.	S	Bend	trans	-62.6	-39.8	171.5	-164.2	-171.2	71.5	173.9	2.5	112	A240 N241 H314 A315 V320	A240-R293 PolarHBondContact O-N 3.37Å; N241-R293 HydrophobicContact CB-CB 4.28Å; N241-R293 VanDerWaalsContact CG-CZ 3.41Å; N241-R293 PolarHBondContact ND2-NH1 3.19Å; N241-R293 VanDerWaalsContact ND2-NH1 3.17Å; N241-R293 PolarHBondContact OD1-NE 2.99Å; N241-R293 PolarHBondContact OD1-NH2 3.48Å; N241-R293 VanDerWaalsContact OD1-NH2 3.07Å; R293-H314 WeakPolarHBondContact O-CA 3.28Å; R293-A315 VanDerWaalsContact CA-O 3.23Å; R293-A315 WeakPolarHBondContact CA-O 3.5Å; R293-A315 VanDerWaalsContact CG-O 3.27Å; R293-A315 WeakPolarHBondContact CG-O 3.11Å; R293-V320 HydrophobicContact CB-CG2 3.9Å; R293-V320 HydrophobicContact CG-CG2 4.02Å
294	Q	91.5	Very high	92	Very high	72 Å²	72	49.5 Å²	49.5	34%	0.336	24%	0.241	S	C	.	.	S	Bend	trans	-91.7	168.6	-177.2	-51.3	-174	24.4	0	0	110.7	N241 T242 N292 H314	N241-Q294 PolarHBondContact OD1-NE2 3.34Å; T242-Q294 WeakPolarHBondContact O-CB 3.36Å; N292-Q294 VanDerWaalsContact C-N 3.29Å; N292-Q294 PolarHBondContact ND2-O 3.21Å; N292-Q294 PolarHBondContact O-N 3.3Å; Q294-H314 PolarHBondContact O-N 3.02Å
295	L	91.7	Very high	91.9	Very high	79 Å²	79	43 Å²	43	41%	0.414	22%	0.219	S	C	.	.			trans	-61	149.2	173.5	-66.8	162.7	0	0	0	111.2	Y297 H314	L295-Y297 HydrophobicContact CB-CD2 4.48Å; L295-Y297 HydrophobicContact CB-CE2 4.19Å; L295-H314 HydrophobicContact CD2-CB 3.88Å
296	I	91.2	Very high	92	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-115.5	110.7	174.9	-58	176.5	0	0	0	107	M244 F290 N292 P300 E301 F304 A311 E313	M244-I296 HydrophobicContact CB-CB 4.49Å; M244-I296 HydrophobicContact CB-CG1 4.37Å; M244-I296 HydrophobicContact CB-CG2 4.45Å; M244-I296 HydrophobicContact CG-CG1 4.37Å; F290-I296 HydrophobicContact CD1-CD1 3.83Å; F290-I296 HydrophobicContact CE1-CD1 3.81Å; N292-I296 HydrophobicContact CB-CD1 3.96Å; N292-I296 HydrophobicContact CB-CG1 4.06Å; I296-P300 HydrophobicContact CG2-CB 3.8Å; I296-E301 HydrophobicContact CG2-CB 4.1Å; I296-F304 HydrophobicContact CG2-CD2 4.33Å; I296-F304 HydrophobicContact CG2-CE2 4.3Å; I296-A311 HydrophobicContact CD1-CB 3.9Å; I296-E313 HydrophobicContact CB-CB 3.95Å; I296-E313 HydrophobicContact CD1-CB 4.01Å; I296-E313 HydrophobicContact CG1-CB 3.73Å; I296-E313 PolarHBondContact N-OE2 3.33Å
297	Y	90.5	Very high	92	Very high	110 Å²	110	46.7 Å²	46.7	43%	0.431	25%	0.247	S	C	.	.			trans	-73.4	162.1	-177.1	-79.8	-122.2	0	0	0	111.3	M244 D245 L295 Y299 P300 E301	M244-Y297 PolarHBondContact O-N 3.37Å; D245-Y297 HydrophobicContact CB-CD1 4.41Å; D245-Y297 HydrophobicContact CB-CD2 3.5Å; D245-Y297 HydrophobicContact CB-CE1 4.22Å; D245-Y297 HydrophobicContact CB-CE2 3.32Å; D245-Y297 HydrophobicContact CB-CG 4.07Å; D245-Y297 VanDerWaalsContact CG-CE1 3.47Å; D245-Y297 VanDerWaalsContact CG-CE2 3.47Å; D245-Y297 WeakPolarHBondContact OD1-CD1 3.47Å; D245-Y297 WeakPolarHBondContact OD1-CE1 3.16Å; D245-Y297 PolarHBondContact OD2-OH 2.89Å; L295-Y297 HydrophobicContact CB-CD2 4.48Å; L295-Y297 HydrophobicContact CB-CE2 4.19Å; Y297-Y299 PolarHBondContact O-N 3.22Å; Y297-P300 WeakPolarHBondContact O-CD 3.29Å; Y297-E301 WeakPolarHBondContact O-CB 3.33Å; Y297-E301 PolarHBondContact O-N 3.24Å
298	N	90.8	Very high	91.9	Very high	130 Å²	130	48 Å²	48	70%	0.695	26%	0.264	S	S	*	.	H	α-helix	trans	-49.7	-37.6	-173.1	-58.2	-1.3	0	0	0	114.3	Q302	N298-Q302 VanDerWaalsContact O-CB 3.32Å; N298-Q302 WeakPolarHBondContact O-CB 2.79Å; N298-Q302 PolarHBondContact O-N 3.19Å
299	Y	90.7	Very high	91.9	Very high	75 Å²	75	46.4 Å²	46.4	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-70.9	-54.1	-177.4	-179.6	-110.9	0	0	0	112.5	K272 M275 Y297 E301 Q302 L303	K272-Y299 HydrophobicContact CB-CE1 4.04Å; K272-Y299 HydrophobicContact CG-CE1 4.37Å; K272-Y299 WeakPolarHBondContact O-CE1 3.37Å; M275-Y299 HydrophobicContact CB-CD1 4.38Å; M275-Y299 HydrophobicContact CB-CE1 4.38Å; M275-Y299 HydrophobicContact CG-CD1 4.22Å; Y297-Y299 PolarHBondContact O-N 3.22Å; Y299-E301 VanDerWaalsContact C-N 3.3Å; Y299-E301 PolarHBondContact O-N 2.97Å; Y299-Q302 WeakPolarHBondContact O-CB 3.48Å; Y299-Q302 PolarHBondContact O-N 3.41Å; Y299-L303 HydrophobicContact CD1-CD1 4.38Å; Y299-L303 HydrophobicContact CE1-CD1 3.95Å; Y299-L303 WeakPolarHBondContact O-CG 3.18Å; Y299-L303 PolarHBondContact O-N 3.41Å; Y299-L303 VanDerWaalsContact O-N 3.13Å
300	P	91.7	Very high	91.8	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-53.1	-42.6	166.8	-31.7	36.1	0	0	0	114.8	M244 M275 V279 I296 Y297 Q302 L303 F304	M244-P300 HydrophobicContact CB-CG 4.48Å; M244-P300 HydrophobicContact CE-CB 3.67Å; M244-P300 HydrophobicContact CE-CG 4.15Å; M275-P300 HydrophobicContact CG-CG 3.53Å; M275-P300 HydrophobicContact SD-CG 3.7Å; V279-P300 HydrophobicContact CG2-CB 4.21Å; I296-P300 HydrophobicContact CG2-CB 3.8Å; Y297-P300 WeakPolarHBondContact O-CD 3.29Å; P300-Q302 VanDerWaalsContact C-N 3.3Å; P300-Q302 PolarHBondContact O-N 3.2Å; P300-L303 WeakPolarHBondContact O-CB 3.17Å; P300-L303 PolarHBondContact O-N 2.96Å; P300-L303 VanDerWaalsContact O-N 3.11Å; P300-F304 HydrophobicContact CB-CE2 4.39Å; P300-F304 WeakPolarHBondContact O-CD2 3.41Å; P300-F304 PolarHBondContact O-N 3.04Å
301	E	91.2	Very high	91.8	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.15	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-42	179.7	-169.3	-172.7	-178.8	0	0	111.5	G225 V226 I296 Y297 Y299 F304 G305	G225-E301 WeakPolarHBondContact CA-OE1 3.44Å; V226-E301 PolarHBondContact N-OE1 2.91Å; I296-E301 HydrophobicContact CG2-CB 4.1Å; Y297-E301 WeakPolarHBondContact O-CB 3.33Å; Y297-E301 PolarHBondContact O-N 3.24Å; Y299-E301 VanDerWaalsContact C-N 3.3Å; Y299-E301 PolarHBondContact O-N 2.97Å; E301-F304 PolarHBondContact O-N 2.88Å; E301-G305 PolarHBondContact O-N 3.27Å
302	Q	91.7	Very high	91.7	Very high	138 Å²	138	46.6 Å²	46.6	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-62.8	-40	173.9	-176.3	-177.8	5.6	0	0	112.1	N298 Y299 P300 G305 A306	N298-Q302 VanDerWaalsContact O-CB 3.32Å; N298-Q302 WeakPolarHBondContact O-CB 2.79Å; N298-Q302 PolarHBondContact O-N 3.19Å; Y299-Q302 WeakPolarHBondContact O-CB 3.48Å; Y299-Q302 PolarHBondContact O-N 3.41Å; P300-Q302 VanDerWaalsContact C-N 3.3Å; P300-Q302 PolarHBondContact O-N 3.2Å; Q302-G305 PolarHBondContact O-N 3.02Å; Q302-A306 WeakPolarHBondContact O-CB 3.33Å; Q302-A306 PolarHBondContact O-N 3.1Å
303	L	92.6	Very high	91.6	Very high	39 Å²	39	50 Å²	50	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-41.4	177.3	-66.9	174.3	0	0	0	111.7	K276 V279 Y299 P300 A306 A307	K276-L303 HydrophobicContact CB-CD1 4.08Å; K276-L303 HydrophobicContact CG-CD1 4.18Å; K276-L303 HydrophobicContact CG-CD2 4.5Å; V279-L303 HydrophobicContact CB-CB 4.41Å; V279-L303 HydrophobicContact CB-CD1 4.06Å; V279-L303 HydrophobicContact CG1-CB 3.87Å; V279-L303 HydrophobicContact CG1-CD1 4.43Å; V279-L303 HydrophobicContact CG2-CB 4.43Å; V279-L303 HydrophobicContact CG2-CD1 3.87Å; Y299-L303 HydrophobicContact CD1-CD1 4.38Å; Y299-L303 HydrophobicContact CE1-CD1 3.95Å; Y299-L303 WeakPolarHBondContact O-CG 3.18Å; Y299-L303 PolarHBondContact O-N 3.41Å; Y299-L303 VanDerWaalsContact O-N 3.13Å; P300-L303 WeakPolarHBondContact O-CB 3.17Å; P300-L303 PolarHBondContact O-N 2.96Å; P300-L303 VanDerWaalsContact O-N 3.11Å; L303-A306 PolarHBondContact O-N 3.39Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 3.26Å
304	F	92.5	Very high	91.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-43.6	173.3	-71	-60.1	0	0	0	112	M244 V279 I282 L283 F290 I296 P300 E301 A306 A307 G308 V309 A311	M244-F304 HydrophobicContact CE-CE2 3.73Å; M244-F304 HydrophobicContact CE-CZ 3.98Å; V279-F304 HydrophobicContact CG1-CD1 4.02Å; V279-F304 HydrophobicContact CG1-CE1 3.75Å; V279-F304 HydrophobicContact CG1-CE2 4.47Å; V279-F304 HydrophobicContact CG1-CG 4.49Å; V279-F304 HydrophobicContact CG1-CZ 3.99Å; V279-F304 HydrophobicContact CG2-CE2 4.46Å; V279-F304 HydrophobicContact CG2-CZ 4.38Å; I282-F304 HydrophobicContact CD1-CZ 4.25Å; I282-F304 HydrophobicContact CG2-CE1 3.91Å; I282-F304 HydrophobicContact CG2-CZ 4.23Å; L283-F304 HydrophobicContact CD2-CD1 4.27Å; F290-F304 HydrophobicContact CB-CE1 4.27Å; F290-F304 HydrophobicContact CD1-CD2 4.41Å; F290-F304 HydrophobicContact CD1-CE1 4.04Å; F290-F304 AromaticContact CD1-CE2 3.66Å; F290-F304 HydrophobicContact CD1-CE2 3.66Å; F290-F304 AromaticContact CD1-CZ 3.44Å; F290-F304 HydrophobicContact CD1-CZ 3.44Å; F290-F304 VanDerWaalsContact CD1-CZ 3.44Å; F290-F304 AromaticContact CE1-CE2 3.86Å; F290-F304 HydrophobicContact CE1-CE2 3.86Å; F290-F304 AromaticContact CE1-CZ 3.67Å; F290-F304 HydrophobicContact CE1-CZ 3.67Å; F290-F304 HydrophobicContact CG-CE1 4.11Å; F290-F304 AromaticContact CG-CZ 3.93Å; F290-F304 HydrophobicContact CG-CZ 3.93Å; F290-F304 HydrophobicContact CZ-CZ 4.33Å; I296-F304 HydrophobicContact CG2-CD2 4.33Å; I296-F304 HydrophobicContact CG2-CE2 4.3Å; P300-F304 HydrophobicContact CB-CE2 4.39Å; P300-F304 WeakPolarHBondContact O-CD2 3.41Å; P300-F304 PolarHBondContact O-N 3.04Å; E301-F304 PolarHBondContact O-N 2.88Å; F304-A306 PolarHBondContact O-N 2.92Å; F304-A307 CarbonylContact O-C 3.55Å; F304-A307 PolarHBondContact O-N 2.64Å; F304-G308 PolarHBondContact O-N 3.3Å; F304-G308 VanDerWaalsContact O-N 3.11Å; F304-V309 CarbonylContact C-O 3.58Å; F304-V309 HydrophobicContact CB-CB 4.46Å; F304-V309 HydrophobicContact CD1-CB 4.23Å; F304-V309 HydrophobicContact CD1-CG1 4.11Å; F304-V309 PolarHBondContact O-N 2.86Å; F304-A311 HydrophobicContact CB-CB 4.09Å; F304-A311 HydrophobicContact CD2-CB 3.97Å; F304-A311 HydrophobicContact CG-CB 4.17Å
305	G	90.3	Very high	91.1	Very high	21 Å²	21	46.6 Å²	46.6	22%	0.216	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-43.2	175	0	0	0	0	0	112.7	E301 Q302 A307 G308	E301-G305 PolarHBondContact O-N 3.27Å; Q302-G305 PolarHBondContact O-N 3.02Å; G305-A307 VanDerWaalsContact C-N 3.31Å; G305-A307 PolarHBondContact O-N 2.87Å; G305-G308 PolarHBondContact O-N 3.47Å; G305-G308 VanDerWaalsContact O-N 3.1Å
306	A	90.8	Very high	90.7	Very high	90 Å²	90	46.8 Å²	46.8	74%	0.744	26%	0.262	S	S	*	.	H	α-helix	trans	-65.4	-32	176.2	0	0	0	0	0	113.1	Q302 L303 F304 G308	Q302-A306 WeakPolarHBondContact O-CB 3.33Å; Q302-A306 PolarHBondContact O-N 3.1Å; L303-A306 PolarHBondContact O-N 3.39Å; F304-A306 PolarHBondContact O-N 2.92Å; A306-G308 VanDerWaalsContact C-N 3.28Å
307	A	90.3	Very high	90.5	Very high	52 Å²	52	52 Å²	52	43%	0.43	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.6	174.4	0	0	0	0	0	113.6	L283 L303 F304 G305 V309	L283-A307 HydrophobicContact CD1-CB 3.72Å; L283-A307 HydrophobicContact CD2-CB 3.74Å; L283-A307 HydrophobicContact CG-CB 4.41Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 3.26Å; F304-A307 CarbonylContact O-C 3.55Å; F304-A307 PolarHBondContact O-N 2.64Å; G305-A307 VanDerWaalsContact C-N 3.31Å; G305-A307 PolarHBondContact O-N 2.87Å; A307-V309 VanDerWaalsContact C-N 3.29Å; A307-V309 HydrophobicContact CB-CG2 4.24Å
308	G	89.3	Confident	90.4	Very high	41 Å²	41	48.3 Å²	48.3	42%	0.423	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	20.6	-175.6	0	0	0	0	0	114.1	F304 G305 A306	F304-G308 PolarHBondContact O-N 3.3Å; F304-G308 VanDerWaalsContact O-N 3.11Å; G305-G308 PolarHBondContact O-N 3.47Å; G305-G308 VanDerWaalsContact O-N 3.1Å; A306-G308 VanDerWaalsContact C-N 3.28Å
309	V	92.2	Very high	90.2	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.036	25%	0.247	C	C	.	.			trans	-94.5	129.5	177.8	176.4	0	0	0	0	109.4	L283 I287 N288 F290 F304 A307 A311	L283-V309 HydrophobicContact CD2-CB 4.34Å; L283-V309 HydrophobicContact CD2-CG2 3.54Å; I287-V309 HydrophobicContact CD1-CG1 4.44Å; I287-V309 HydrophobicContact CG1-CG1 4.48Å; N288-V309 WeakPolarHBondContact O-CA 3.35Å; F290-V309 HydrophobicContact CB-CG1 4.05Å; F304-V309 CarbonylContact C-O 3.58Å; F304-V309 HydrophobicContact CB-CB 4.46Å; F304-V309 HydrophobicContact CD1-CB 4.23Å; F304-V309 HydrophobicContact CD1-CG1 4.11Å; F304-V309 PolarHBondContact O-N 2.86Å; A307-V309 VanDerWaalsContact C-N 3.29Å; A307-V309 HydrophobicContact CB-CG2 4.24Å; V309-A311 PolarHBondContact O-N 3.49Å
310	M	93.4	Very high	90.3	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.8	171.9	176	-169.5	-71.1	0	0	109.3	I224 P229 I232 N288 C289 F290 I312 I349	I224-M310 HydrophobicContact CD1-CE 3.73Å; I224-M310 HydrophobicContact CD1-SD 4.08Å; I224-M310 HydrophobicContact CG1-CE 4.23Å; I224-M310 HydrophobicContact CG1-CG 4.12Å; I224-M310 HydrophobicContact CG1-SD 3.99Å; I224-M310 HydrophobicContact CG2-CG 3.86Å; P229-M310 WeakPolarHBondContact O-CE 3.15Å; I232-M310 HydrophobicContact CB-CE 4.46Å; I232-M310 HydrophobicContact CD1-CB 3.36Å; I232-M310 HydrophobicContact CD1-CE 3.78Å; I232-M310 HydrophobicContact CD1-CG 4.35Å; I232-M310 HydrophobicContact CD1-SD 4.2Å; I232-M310 HydrophobicContact CG1-CE 3.84Å; N288-M310 PolarHBondContact O-N 2.86Å; C289-M310 CarbonylContact C-O 3.5Å; C289-M310 WeakPolarHBondContact CA-O 3.3Å; F290-M310 PolarHBondContact N-O 3.45Å; M310-I312 HydrophobicContact CG-CG1 4.29Å; M310-I312 HydrophobicContact SD-CD1 4.16Å; M310-I312 HydrophobicContact SD-CG1 4.4Å; M310-I349 HydrophobicContact CE-CB 4.41Å; M310-I349 HydrophobicContact CE-CG2 3.99Å; M310-I349 HydrophobicContact SD-CB 4.45Å; M310-I349 HydrophobicContact SD-CG2 3.71Å
311	A	93.4	Very high	90.2	Very high	3 Å²	3	42 Å²	42	3%	0.025	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.8	174.8	0	0	0	0	0	109.8	G225 Q228 F290 I296 F304 V309	G225-A311 PolarHBondContact N-O 3.36Å; Q228-A311 PolarHBondContact OE1-O 3.5Å; Q228-A311 VanDerWaalsContact OE1-O 3.12Å; F290-A311 CarbonylContact O-C 3.55Å; F290-A311 WeakPolarHBondContact O-CA 3.41Å; I296-A311 HydrophobicContact CD1-CB 3.9Å; F304-A311 HydrophobicContact CB-CB 4.09Å; F304-A311 HydrophobicContact CD2-CB 3.97Å; F304-A311 HydrophobicContact CG-CB 4.17Å; V309-A311 PolarHBondContact O-N 3.49Å
312	I	92.7	Very high	90.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.4	173.8	-57.5	172.4	0	0	0	106.8	L220 K222 F290 I291 N292 M310 I360 F362	L220-I312 HydrophobicContact CD2-CG2 3.78Å; K222-I312 HydrophobicContact CB-CG2 4.05Å; F290-I312 PolarHBondContact O-N 2.81Å; I291-I312 WeakPolarHBondContact CA-O 3.45Å; I291-I312 HydrophobicContact CD1-CD1 4.11Å; I291-I312 HydrophobicContact CG1-CB 4.22Å; I291-I312 HydrophobicContact CG1-CD1 4.05Å; I291-I312 HydrophobicContact CG1-CG1 4.49Å; I291-I312 HydrophobicContact CG2-CB 4.22Å; I291-I312 HydrophobicContact CG2-CG2 4.35Å; N292-I312 PolarHBondContact N-O 3.31Å; M310-I312 HydrophobicContact CG-CG1 4.29Å; M310-I312 HydrophobicContact SD-CD1 4.16Å; M310-I312 HydrophobicContact SD-CG1 4.4Å; I312-I360 HydrophobicContact CD1-CD1 3.53Å; I312-I360 HydrophobicContact CD1-CG2 4.19Å; I312-I360 HydrophobicContact CG1-CD1 3.76Å; I312-I360 HydrophobicContact CG2-CD1 4Å; I312-F362 HydrophobicContact CD1-CZ 3.87Å
313	E	91.7	Very high	90.1	Very high	72 Å²	72	35.8 Å²	35.8	34%	0.336	22%	0.217	S	C	.	.			trans	-99.6	162.9	-179.4	66.1	167.4	-180	0	0	112.8	I296 A315	I296-E313 HydrophobicContact CB-CB 3.95Å; I296-E313 HydrophobicContact CD1-CB 4.01Å; I296-E313 HydrophobicContact CG1-CB 3.73Å; I296-E313 PolarHBondContact N-OE2 3.33Å; E313-A315 PolarHBondContact O-N 3.06Å; E313-A315 VanDerWaalsContact O-N 3.13Å
314	H	89.5	Confident	90.1	Very high	82 Å²	82	34.8 Å²	34.8	38%	0.38	21%	0.214	S	C	.	.			trans	53.6	37.7	170.1	-157.7	-97	0	0	0	113.7	K222 N292 R293 Q294 L295 D316	K222-H314 WeakPolarHBondContact CD-O 3.45Å; K222-H314 WeakPolarHBondContact CE-O 2.76Å; K222-H314 PolarHBondContact NZ-O 3.5Å; N292-H314 PolarHBondContact O-N 3.47Å; R293-H314 WeakPolarHBondContact O-CA 3.28Å; Q294-H314 PolarHBondContact O-N 3.02Å; L295-H314 HydrophobicContact CD2-CB 3.88Å; H314-D316 IonicContact CE1-OD1 3.88Å; H314-D316 PolarHBondContact CE1-OD1 3.09Å; H314-D316 IonicContact ND1-OD1 3.57Å; H314-D316 PolarHBondContact O-N 2.84Å
315	A	85.6	Confident	89.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.23	C	C	.	.			trans	-68	114.3	164.8	0	0	0	0	0	107.4	I291 N292 R293 E313 V320	I291-A315 HydrophobicContact CG2-CB 3.89Å; N292-A315 PolarHBondContact O-N 3.21Å; R293-A315 VanDerWaalsContact CA-O 3.23Å; R293-A315 WeakPolarHBondContact CA-O 3.5Å; R293-A315 VanDerWaalsContact CG-O 3.27Å; R293-A315 WeakPolarHBondContact CG-O 3.11Å; E313-A315 PolarHBondContact O-N 3.06Å; E313-A315 VanDerWaalsContact O-N 3.13Å; A315-V320 HydrophobicContact CB-CG2 3.61Å; A315-V320 WeakPolarHBondContact O-CG2 3.22Å
316	D	83.4	Confident	89.8	Confident	83 Å²	83	36.9 Å²	36.9	44%	0.444	22%	0.22	S	C	.	.			trans	-59.8	163.2	-178.4	-57	-58.6	0	0	0	110.5	K222 H314 A318 G319 V320	K222-D316 IonicContact NZ-OD1 3.94Å; K222-D316 IonicContact NZ-OD2 3.63Å; K222-D316 PolarHBondContact NZ-OD2 3.41Å; H314-D316 IonicContact CE1-OD1 3.88Å; H314-D316 PolarHBondContact CE1-OD1 3.09Å; H314-D316 IonicContact ND1-OD1 3.57Å; H314-D316 PolarHBondContact O-N 2.84Å; D316-A318 VanDerWaalsContact C-N 3.31Å; D316-A318 PolarHBondContact O-N 2.7Å; D316-G319 WeakPolarHBondContact O-CA 3.41Å; D316-G319 PolarHBondContact O-N 3.46Å; D316-V320 PolarHBondContact O-N 3.47Å
317	F	86.7	Confident	89.7	Confident	115 Å²	115	32.7 Å²	32.7	50%	0.504	19%	0.185	S	C	.	.	H	α-helix	trans	-50	-50	-174.8	-174.2	-98.1	0	0	0	112.7	G319 V320 E321	F317-G319 VanDerWaalsContact C-N 3.29Å; F317-G319 PolarHBondContact O-N 3.4Å; F317-V320 PolarHBondContact O-N 3.47Å; F317-E321 HydrophobicContact CE1-CG 4.26Å; F317-E321 WeakPolarHBondContact CE1-OE1 3.4Å; F317-E321 WeakPolarHBondContact CE1-OE2 3.41Å; F317-E321 WeakPolarHBondContact CZ-OE1 3.35Å; F317-E321 PolarHBondContact O-N 3.28Å; F317-E321 VanDerWaalsContact O-N 3.12Å
318	A	87.1	Confident	89.7	Confident	33 Å²	33	30.7 Å²	30.7	27%	0.273	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-33.5	175.6	0	0	0	0	0	113.1	D316 R322	D316-A318 VanDerWaalsContact C-N 3.31Å; D316-A318 PolarHBondContact O-N 2.7Å; A318-R322 WeakPolarHBondContact O-CB 3.25Å; A318-R322 VanDerWaalsContact O-CD 3.31Å; A318-R322 WeakPolarHBondContact O-CD 3.46Å; A318-R322 WeakPolarHBondContact O-CG 3.3Å; A318-R322 PolarHBondContact O-N 3.07Å
319	G	88.3	Confident	89.7	Confident	6 Å²	6	29.1 Å²	29.1	6%	0.062	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-42.7	176.7	0	0	0	0	0	112.3	D316 F317 R322 L323	D316-G319 WeakPolarHBondContact O-CA 3.41Å; D316-G319 PolarHBondContact O-N 3.46Å; F317-G319 VanDerWaalsContact C-N 3.29Å; F317-G319 PolarHBondContact O-N 3.4Å; G319-R322 PolarHBondContact O-N 3.49Å; G319-L323 WeakPolarHBondContact O-CB 3.35Å; G319-L323 WeakPolarHBondContact O-CD1 3.35Å; G319-L323 VanDerWaalsContact O-CG 3.23Å; G319-L323 WeakPolarHBondContact O-CG 3.49Å; G319-L323 PolarHBondContact O-N 2.83Å
320	V	91.2	Very high	89.7	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-42.6	177.9	176.4	0	0	0	0	111.2	I239 R293 A315 D316 F317 L323 A324 I331	I239-V320 HydrophobicContact CG2-CB 4.37Å; I239-V320 HydrophobicContact CG2-CG1 3.26Å; R293-V320 HydrophobicContact CB-CG2 3.9Å; R293-V320 HydrophobicContact CG-CG2 4.02Å; A315-V320 HydrophobicContact CB-CG2 3.61Å; A315-V320 WeakPolarHBondContact O-CG2 3.22Å; D316-V320 PolarHBondContact O-N 3.47Å; F317-V320 PolarHBondContact O-N 3.47Å; V320-L323 PolarHBondContact O-N 3.31Å; V320-A324 PolarHBondContact O-N 3.34Å; V320-I331 HydrophobicContact CG1-CB 4.47Å; V320-I331 HydrophobicContact CG1-CD1 3.69Å; V320-I331 HydrophobicContact CG1-CG1 3.8Å; V320-I331 HydrophobicContact CG1-CG2 3.9Å
321	E	90.5	Very high	89.6	Confident	68 Å²	68	36.9 Å²	36.9	32%	0.318	19%	0.19	S	C	.	.	H	α-helix	trans	-64.5	-44	176.1	-70.7	-177.2	149.9	0	0	112.3	F317 L323 A324 L325 I331	F317-E321 HydrophobicContact CE1-CG 4.26Å; F317-E321 WeakPolarHBondContact CE1-OE1 3.4Å; F317-E321 WeakPolarHBondContact CE1-OE2 3.41Å; F317-E321 WeakPolarHBondContact CZ-OE1 3.35Å; F317-E321 PolarHBondContact O-N 3.28Å; F317-E321 VanDerWaalsContact O-N 3.12Å; E321-L323 VanDerWaalsContact C-N 3.35Å; E321-L323 PolarHBondContact O-N 3.06Å; E321-A324 WeakPolarHBondContact O-CB 3.05Å; E321-A324 PolarHBondContact O-N 3.49Å; E321-L325 WeakPolarHBondContact O-CG 3.48Å; E321-L325 PolarHBondContact O-N 3.14Å; E321-I331 HydrophobicContact CG-CD1 3.96Å
322	R	90.5	Very high	89.6	Confident	39 Å²	39	37.1 Å²	37.1	15%	0.147	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-45.1	174.1	-71.3	163.6	-173.7	152.9	7.2	111.6	E197 H200 F218 A318 G319 A324 L325 V326 A370	E197-R322 PolarHBondContact O-NE 2.89Å; E197-R322 PolarHBondContact O-NH2 2.86Å; H200-R322 PolarHBondContact ND1-NH1 3.27Å; H200-R322 VanDerWaalsContact ND1-NH1 3.15Å; F218-R322 HydrophobicContact CE1-CB 4.45Å; F218-R322 HydrophobicContact CE2-CB 3.61Å; F218-R322 HydrophobicContact CE2-CG 4.18Å; F218-R322 HydrophobicContact CZ-CB 3.5Å; F218-R322 HydrophobicContact CZ-CG 4.26Å; A318-R322 WeakPolarHBondContact O-CB 3.25Å; A318-R322 VanDerWaalsContact O-CD 3.31Å; A318-R322 WeakPolarHBondContact O-CD 3.46Å; A318-R322 WeakPolarHBondContact O-CG 3.3Å; A318-R322 PolarHBondContact O-N 3.07Å; G319-R322 PolarHBondContact O-N 3.49Å; R322-A324 VanDerWaalsContact C-N 3.27Å; R322-A324 PolarHBondContact O-N 2.87Å; R322-L325 PolarHBondContact O-N 3.08Å; R322-L325 VanDerWaalsContact O-N 3.16Å; R322-V326 WeakPolarHBondContact O-CB 3.25Å; R322-V326 VanDerWaalsContact O-CG2 3.23Å; R322-V326 WeakPolarHBondContact O-CG2 3.39Å; R322-V326 PolarHBondContact O-N 3.34Å; R322-A370 HydrophobicContact CB-CB 4.3Å; R322-A370 HydrophobicContact CG-CB 4.49Å
323	L	91	Very high	89.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-36.3	177.2	-74.5	166.1	0	0	0	111.9	F218 L220 I239 I291 G319 V320 E321 V326 T327 F362	F218-L323 HydrophobicContact CD1-CD2 3.65Å; F218-L323 HydrophobicContact CD1-CG 4.31Å; F218-L323 HydrophobicContact CE1-CD2 3.79Å; F218-L323 HydrophobicContact CE1-CG 3.95Å; L220-L323 HydrophobicContact CD1-CD1 4.39Å; L220-L323 HydrophobicContact CD2-CD1 4.14Å; I239-L323 HydrophobicContact CD1-CB 3.87Å; I291-L323 HydrophobicContact CD1-CD1 3.79Å; I291-L323 HydrophobicContact CD1-CD2 4.34Å; I291-L323 HydrophobicContact CG2-CD1 3.84Å; G319-L323 WeakPolarHBondContact O-CB 3.35Å; G319-L323 WeakPolarHBondContact O-CD1 3.35Å; G319-L323 VanDerWaalsContact O-CG 3.23Å; G319-L323 WeakPolarHBondContact O-CG 3.49Å; G319-L323 PolarHBondContact O-N 2.83Å; V320-L323 PolarHBondContact O-N 3.31Å; E321-L323 VanDerWaalsContact C-N 3.35Å; E321-L323 PolarHBondContact O-N 3.06Å; L323-V326 PolarHBondContact O-N 2.85Å; L323-T327 VanDerWaalsContact O-CB 3.29Å; L323-T327 WeakPolarHBondContact O-CB 3.16Å; L323-T327 VanDerWaalsContact O-CG2 3.27Å; L323-T327 WeakPolarHBondContact O-CG2 3.37Å; L323-T327 PolarHBondContact O-N 3.5Å; L323-T327 PolarHBondContact O-OG1 3.43Å; L323-F362 HydrophobicContact CD2-CD1 4.41Å; L323-F362 HydrophobicContact CD2-CD2 4.16Å; L323-F362 HydrophobicContact CD2-CE1 4.11Å; L323-F362 HydrophobicContact CD2-CE2 3.85Å; L323-F362 HydrophobicContact CD2-CG 4.44Å; L323-F362 HydrophobicContact CD2-CZ 3.83Å
324	A	90.9	Very high	89.1	Confident	17 Å²	17	41.4 Å²	41.4	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-45.5	173.7	0	0	0	0	0	111.4	I239 V320 E321 R322 G328 G329 I331	I239-A324 HydrophobicContact CD1-CB 4.14Å; V320-A324 PolarHBondContact O-N 3.34Å; E321-A324 WeakPolarHBondContact O-CB 3.05Å; E321-A324 PolarHBondContact O-N 3.49Å; R322-A324 VanDerWaalsContact C-N 3.27Å; R322-A324 PolarHBondContact O-N 2.87Å; A324-G328 WeakPolarHBondContact O-CA 3.45Å; A324-G328 PolarHBondContact O-N 2.63Å; A324-G329 WeakPolarHBondContact CA-O 3.31Å; A324-G329 VanDerWaalsContact CB-O 3.27Å; A324-G329 WeakPolarHBondContact CB-O 3.48Å; A324-G329 PolarHBondContact O-N 3.12Å; A324-I331 HydrophobicContact CB-CG1 4.25Å
325	L	87.7	Confident	89	Confident	66 Å²	66	38 Å²	38	35%	0.346	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-35.9	177.2	-67.5	171.1	0	0	0	113.3	A198 E321 R322 L367 A370	A198-L325 HydrophobicContact CB-CD1 4.17Å; E321-L325 WeakPolarHBondContact O-CG 3.48Å; E321-L325 PolarHBondContact O-N 3.14Å; R322-L325 PolarHBondContact O-N 3.08Å; R322-L325 VanDerWaalsContact O-N 3.16Å; L325-L367 WeakPolarHBondContact O-CB 3.34Å; L325-A370 HydrophobicContact CB-CB 4.05Å
326	V	89	Confident	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74	-51.6	179.7	170.5	0	0	0	0	111.2	F218 R322 L323 V365 A366 L367 A370	F218-V326 HydrophobicContact CB-CB 4.43Å; F218-V326 HydrophobicContact CB-CG1 3.84Å; F218-V326 HydrophobicContact CB-CG2 3.92Å; F218-V326 HydrophobicContact CD2-CG2 3.76Å; F218-V326 HydrophobicContact CG-CG2 3.93Å; R322-V326 WeakPolarHBondContact O-CB 3.25Å; R322-V326 VanDerWaalsContact O-CG2 3.23Å; R322-V326 WeakPolarHBondContact O-CG2 3.39Å; R322-V326 PolarHBondContact O-N 3.34Å; L323-V326 PolarHBondContact O-N 2.85Å; V326-V365 HydrophobicContact CG1-CB 3.44Å; V326-V365 VanDerWaalsContact CG1-CB 3.44Å; V326-V365 HydrophobicContact CG1-CG1 3.2Å; V326-V365 HydrophobicContact CG1-CG2 3.9Å; V326-A366 PolarHBondContact O-N 3.42Å; V326-L367 PolarHBondContact O-N 3.31Å; V326-A370 HydrophobicContact CG2-CB 3.5Å; V326-A370 WeakPolarHBondContact CG2-O 3.28Å
327	T	90.2	Very high	88.9	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-86.7	-18.1	-171.4	67.5	0	0	0	0	113.1	I237 L323 G329 G344 S345	I237-T327 HydrophobicContact CD1-CG2 3.5Å; L323-T327 VanDerWaalsContact O-CB 3.29Å; L323-T327 WeakPolarHBondContact O-CB 3.16Å; L323-T327 VanDerWaalsContact O-CG2 3.27Å; L323-T327 WeakPolarHBondContact O-CG2 3.37Å; L323-T327 PolarHBondContact O-N 3.5Å; L323-T327 PolarHBondContact O-OG1 3.43Å; T327-G329 VanDerWaalsContact C-N 3.32Å; T327-G329 PolarHBondContact OG1-N 3.33Å; T327-G344 WeakPolarHBondContact O-CA 3.21Å; T327-S345 PolarHBondContact O-N 3.02Å
328	G	88.5	Confident	88.7	Confident	10 Å²	10	39.8 Å²	39.8	10%	0.103	22%	0.224	C	C	.	.			trans	77.8	10.7	-175.8	0	0	0	0	0	115.4	A324 K342 L367	A324-G328 WeakPolarHBondContact O-CA 3.45Å; A324-G328 PolarHBondContact O-N 2.63Å; G328-K342 WeakPolarHBondContact O-CD 3.3Å; G328-K342 WeakPolarHBondContact O-CE 3.32Å; G328-K342 PolarHBondContact O-NZ 3.36Å; G328-K342 VanDerWaalsContact O-NZ 3.13Å; G328-L367 VanDerWaalsContact CA-CD1 3.42Å
329	G	89.9	Confident	88.5	Confident	8 Å²	8	44.8 Å²	44.8	8%	0.082	24%	0.242	C	C	.	.			trans	-82.6	160.5	177.2	0	0	0	0	0	113.4	A324 T327 K342	A324-G329 WeakPolarHBondContact CA-O 3.31Å; A324-G329 VanDerWaalsContact CB-O 3.27Å; A324-G329 WeakPolarHBondContact CB-O 3.48Å; A324-G329 PolarHBondContact O-N 3.12Å; T327-G329 VanDerWaalsContact C-N 3.32Å; T327-G329 PolarHBondContact OG1-N 3.33Å; G329-K342 WeakPolarHBondContact CA-O 3.38Å
330	E	91.8	Very high	88.4	Confident	112 Å²	112	50.5 Å²	50.5	52%	0.523	27%	0.271	S	S	.	.			trans	-98.3	149.3	174.8	-173.9	177.4	175.8	0	0	111.3	A332 K342	E330-A332 PolarHBondContact O-N 2.98Å; E330-K342 HydrophobicContact CB-CB 4.24Å; E330-K342 PolarHBondContact N-O 2.89Å
331	I	92.8	Very high	88.2	Confident	57 Å²	57	51.6 Å²	51.6	29%	0.292	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	101.3	175.8	-51.5	176.7	0	0	0	109.2	I239 N241 V320 E321 A324	I239-I331 HydrophobicContact CG2-CG1 4.14Å; N241-I331 HydrophobicContact CB-CG2 4.09Å; V320-I331 HydrophobicContact CG1-CB 4.47Å; V320-I331 HydrophobicContact CG1-CD1 3.69Å; V320-I331 HydrophobicContact CG1-CG1 3.8Å; V320-I331 HydrophobicContact CG1-CG2 3.9Å; E321-I331 HydrophobicContact CG-CD1 3.96Å; A324-I331 HydrophobicContact CB-CG1 4.25Å
332	A	92	Very high	88.2	Confident	8 Å²	8	54.4 Å²	54.4	7%	0.066	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.1	-178.8	0	0	0	0	0	112.6	L238 I239 A240 N241 E330 F335 V341	L238-A332 HydrophobicContact CD1-CB 4.19Å; I239-A332 PolarHBondContact O-N 3.01Å; A240-A332 CarbonylContact C-O 3.57Å; A240-A332 WeakPolarHBondContact CA-O 3.27Å; N241-A332 PolarHBondContact N-O 3.05Å; E330-A332 PolarHBondContact O-N 2.98Å; A332-F335 HydrophobicContact CB-CE1 4.19Å; A332-V341 HydrophobicContact CB-CG1 3.77Å; A332-V341 HydrophobicContact CB-CG2 4.21Å
333	S	88.1	Confident	88.3	Confident	71 Å²	71	55 Å²	55	50%	0.497	29%	0.294	S	S	.	.	S	Bend	trans	-113.9	-19.5	169.2	-59.3	0	0	0	0	113.1
334	T	86.2	Confident	88.3	Confident	91 Å²	91	55.1 Å²	55.1	56%	0.558	30%	0.295	S	S	*	.			trans	-118.8	136.3	-179.1	-57	0	0	0	0	108.4	D336	T334-D336 HydrophobicContact CG2-CB 4.4Å; T334-D336 WeakPolarHBondContact CG2-OD2 2.95Å
335	F	87.6	Confident	88.3	Confident	10 Å²	10	57.2 Å²	57.2	4%	0.044	31%	0.309	C	S	.	.			trans	-118.8	5.9	-171.7	-49.9	-70.7	0	0	0	113.5	L238 A240 T242 R281 I282 H285 A332 H337	L238-F335 HydrophobicContact CD2-CD1 3.97Å; L238-F335 HydrophobicContact CD2-CE1 3.95Å; A240-F335 HydrophobicContact CB-CE1 3.94Å; A240-F335 HydrophobicContact CB-CZ 3.85Å; T242-F335 HydrophobicContact CG2-CE2 3.59Å; T242-F335 HydrophobicContact CG2-CZ 3.53Å; R281-F335 HydrophobicContact CB-CB 4.44Å; I282-F335 HydrophobicContact CD1-CD2 4.23Å; I282-F335 HydrophobicContact CD1-CE2 4.19Å; I282-F335 HydrophobicContact CD1-CG 4.49Å; I282-F335 HydrophobicContact CD1-CZ 4.4Å; I282-F335 HydrophobicContact CG1-CB 4.22Å; I282-F335 HydrophobicContact CG1-CD1 3.89Å; I282-F335 HydrophobicContact CG1-CD2 3.9Å; I282-F335 HydrophobicContact CG1-CE1 4.25Å; I282-F335 HydrophobicContact CG1-CE2 4.27Å; I282-F335 HydrophobicContact CG1-CG 3.71Å; I282-F335 HydrophobicContact CG1-CZ 4.44Å; H285-F335 PolarHBondContact NE2-O 2.96Å; H285-F335 VanDerWaalsContact NE2-O 3.12Å; A332-F335 HydrophobicContact CB-CE1 4.19Å; F335-H337 VanDerWaalsContact C-N 3.32Å; F335-H337 PolarHBondContact O-N 3.2Å
336	D	83.7	Confident	88.5	Confident	85 Å²	85	54.4 Å²	54.4	46%	0.455	30%	0.295	S	S	.	.	S	Bend	trans	-72	-27	-171.8	-59.2	-43.7	0	0	0	113.1	R281 T334 P338	R281-D336 WeakPolarHBondContact CD-OD1 3.1Å; R281-D336 IonicContact CZ-OD1 3.43Å; R281-D336 IonicContact NH1-OD1 2.73Å; R281-D336 PolarHBondContact NH1-OD1 3.36Å; T334-D336 HydrophobicContact CG2-CB 4.4Å; T334-D336 WeakPolarHBondContact CG2-OD2 2.95Å; D336-P338 WeakPolarHBondContact O-CD 3.12Å
337	H	84.3	Confident	88.7	Confident	106 Å²	106	61.4 Å²	61.4	49%	0.491	33%	0.325	S	S	.	.			trans	-121.4	88.7	-176.2	-68.7	-68.9	0	0	0	111.1	F335 E339 L340	F335-H337 VanDerWaalsContact C-N 3.32Å; F335-H337 PolarHBondContact O-N 3.2Å; H337-E339 WeakPolarHBondContact CB-OE1 3.25Å; H337-E339 IonicContact CG-OE1 2.72Å; H337-E339 IonicContact ND1-OE1 2.67Å; H337-E339 PolarHBondContact ND1-OE1 3.39Å; H337-E339 PolarHBondContact O-N 3.09Å; H337-L340 HydrophobicContact CB-CB 4.39Å; H337-L340 HydrophobicContact CB-CD1 3.8Å; H337-L340 HydrophobicContact CB-CG 4Å; H337-L340 PolarHBondContact O-N 3.34Å
338	P	82.3	Confident	88.8	Confident	45 Å²	45	62.9 Å²	62.9	29%	0.292	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-56.7	-31.2	178.5	-25.3	34.8	0	0	0	115	H285 D336 L340 V341	H285-P338 WeakPolarHBondContact CE1-CA 3.18Å; H285-P338 WeakPolarHBondContact ND1-CA 3.49Å; D336-P338 WeakPolarHBondContact O-CD 3.12Å; P338-L340 PolarHBondContact O-N 3.46Å; P338-V341 PolarHBondContact O-N 3.02Å
339	E	82.7	Confident	89.1	Confident	138 Å²	138	62.4 Å²	62.4	65%	0.645	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-65.5	-21.1	-179.9	62.1	-79.5	-177.9	0	0	114.5	H337	H337-E339 WeakPolarHBondContact CB-OE1 3.25Å; H337-E339 IonicContact CG-OE1 2.72Å; H337-E339 IonicContact ND1-OE1 2.67Å; H337-E339 PolarHBondContact ND1-OE1 3.39Å; H337-E339 PolarHBondContact O-N 3.09Å
340	L	85.1	Confident	89.2	Confident	126 Å²	126	64.4 Å²	64.4	66%	0.66	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-93.4	-15.2	-177	-62.1	-179.9	0	0	0	113.4	H337 P338	H337-L340 HydrophobicContact CB-CB 4.39Å; H337-L340 HydrophobicContact CB-CD1 3.8Å; H337-L340 HydrophobicContact CB-CG 4Å; H337-L340 PolarHBondContact O-N 3.34Å; P338-L340 PolarHBondContact O-N 3.46Å
341	V	87.1	Confident	89.2	Confident	24 Å²	24	61.4 Å²	61.4	15%	0.145	32%	0.321	C	S	.	.			trans	-98	120.1	-172.2	-178.5	0	0	0	0	110.4	L238 A332 P338 L343	L238-V341 HydrophobicContact CD1-CG1 3.67Å; A332-V341 HydrophobicContact CB-CG1 3.77Å; A332-V341 HydrophobicContact CB-CG2 4.21Å; P338-V341 PolarHBondContact O-N 3.02Å; V341-L343 PolarHBondContact O-N 3.21Å
342	K	90.8	Very high	89.2	Confident	127 Å²	127	60.2 Å²	60.2	55%	0.552	32%	0.316	S	S	*	.			trans	-75.4	110.4	173.6	-169.3	-178.3	179.5	-160.9	0	110.4	G328 G329 E330	G328-K342 WeakPolarHBondContact O-CD 3.3Å; G328-K342 WeakPolarHBondContact O-CE 3.32Å; G328-K342 PolarHBondContact O-NZ 3.36Å; G328-K342 VanDerWaalsContact O-NZ 3.13Å; G329-K342 WeakPolarHBondContact CA-O 3.38Å; E330-K342 HydrophobicContact CB-CB 4.24Å; E330-K342 PolarHBondContact N-O 2.89Å
343	L	92	Very high	89.1	Confident	53 Å²	53	66.3 Å²	66.3	28%	0.277	35%	0.345	S	S	.	.			trans	-74.2	143.3	174.9	-59.3	179	0	0	0	111.2	L238 I287 V341	L238-L343 HydrophobicContact CB-CD2 4.09Å; L238-L343 HydrophobicContact CD1-CD2 3.69Å; L238-L343 HydrophobicContact CG-CD2 4.49Å; I287-L343 HydrophobicContact CG2-CD1 4.02Å; I287-L343 HydrophobicContact CG2-CD2 3.81Å; V341-L343 PolarHBondContact O-N 3.21Å
344	G	91.7	Very high	89.1	Confident	2 Å²	2	63.5 Å²	63.5	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	156.8	169.6	0	0	0	0	0	111.4	I237 T327	I237-G344 PolarHBondContact N-O 3.05Å; I237-G344 PolarHBondContact O-N 3.32Å; T327-G344 WeakPolarHBondContact O-CA 3.21Å
345	S	92	Very high	89	Confident	60 Å²	60	61.3 Å²	61.3	42%	0.42	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.6	176.1	64.7	0	0	0	0	112.4	A235 T327	A235-S345 VanDerWaalsContact O-CA 3.3Å; A235-S345 WeakPolarHBondContact O-CA 3.5Å; T327-S345 PolarHBondContact O-N 3.02Å
346	C	91.8	Very high	89	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.054	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.6	166.9	79	0	0	0	0	111.3	N234 A235 I237 I349 G364 V365	N234-C346 CarbonylContact C-O 3.59Å; N234-C346 WeakPolarHBondContact CA-O 3.33Å; A235-C346 VanDerWaalsContact CB-SG 3.5Å; A235-C346 PolarHBondContact N-O 3.2Å; A235-C346 PolarHBondContact O-N 3.23Å; A235-C346 VanDerWaalsContact O-N 3.16Å; I237-C346 HydrophobicContact CD1-CB 4.29Å; C346-I349 WeakPolarHBondContact SG-CG1 3.22Å; C346-G364 WeakPolarHBondContact CA-O 3.1Å; C346-V365 HydrophobicContact CB-CG1 4.41Å
347	K	92.4	Very high	89.2	Confident	146 Å²	146	69.5 Å²	69.5	64%	0.635	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	-39.8	-177.7	-67.7	-177.7	-173.9	173.9	0	113	E233 N234 S363 G364	E233-K347 CarbonylContact C-O 3.6Å; E233-K347 WeakPolarHBondContact CA-O 3.49Å; N234-K347 PolarHBondContact N-O 2.93Å; K347-S363 PolarHBondContact N-O 3.24Å; K347-S363 VanDerWaalsContact N-O 3.1Å; K347-G364 PolarHBondContact N-O 3.05Å
348	L	92.9	Very high	89.5	Confident	33 Å²	33	68.4 Å²	68.4	17%	0.173	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	136.2	-175.9	-174.5	68.3	0	0	0	109.8	R231 I232 E233 E350 F362 S363	R231-L348 HydrophobicContact CG-CD1 3.8Å; I232-L348 CarbonylContact O-C 3.6Å; I232-L348 WeakPolarHBondContact O-CA 3.21Å; E233-L348 HydrophobicContact CG-CD1 3.89Å; L348-E350 HydrophobicContact CD2-CG 4.29Å; L348-E350 HydrophobicContact CG-CG 4.45Å; L348-F362 CarbonylContact O-C 3.53Å; L348-S363 PolarHBondContact N-O 3.31Å; L348-S363 VanDerWaalsContact N-O 3.1Å; L348-S363 PolarHBondContact O-N 2.79Å
349	I	93.6	Very high	90	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126	163.6	-54.5	177.7	0	0	0	106.8	R231 I232 A235 I237 C289 M310 C346 I360 H361 F362	R231-I349 CarbonylContact C-O 3.26Å; R231-I349 WeakPolarHBondContact CA-O 3.35Å; I232-I349 HydrophobicContact CB-CB 4.49Å; I232-I349 PolarHBondContact N-O 2.79Å; I232-I349 PolarHBondContact O-N 2.94Å; A235-I349 HydrophobicContact CB-CD1 3.41Å; A235-I349 VanDerWaalsContact CB-CD1 3.41Å; A235-I349 HydrophobicContact CB-CG1 3.79Å; I237-I349 HydrophobicContact CD1-CD1 3.98Å; I237-I349 HydrophobicContact CG1-CD1 4.09Å; C289-I349 HydrophobicContact CB-CD1 3.88Å; M310-I349 HydrophobicContact CE-CB 4.41Å; M310-I349 HydrophobicContact CE-CG2 3.99Å; M310-I349 HydrophobicContact SD-CB 4.45Å; M310-I349 HydrophobicContact SD-CG2 3.71Å; C346-I349 WeakPolarHBondContact SG-CG1 3.22Å; I349-I360 HydrophobicContact CG2-CG2 3.44Å; I349-I360 VanDerWaalsContact CG2-CG2 3.44Å; I349-H361 WeakPolarHBondContact CA-O 3.4Å; I349-F362 HydrophobicContact CD1-CD1 3.86Å; I349-F362 HydrophobicContact CD1-CE1 3.59Å; I349-F362 HydrophobicContact CG1-CD1 3.73Å; I349-F362 HydrophobicContact CG1-CE1 3.93Å; I349-F362 HydrophobicContact CG2-CD1 4.39Å; I349-F362 HydrophobicContact CG2-CE1 4.19Å; I349-F362 HydrophobicContact CG2-CZ 4.4Å
350	E	92.8	Very high	90.5	Very high	51 Å²	51	59.7 Å²	59.7	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.6	175.9	61.3	179.2	-175.3	0	0	113.4	K230 R231 L348 V352 H361	K230-E350 WeakPolarHBondContact O-CA 3.4Å; R231-E350 HydrophobicContact CB-CB 4.38Å; R231-E350 HydrophobicContact CG-CB 4.32Å; R231-E350 IonicContact NH1-OE2 2.81Å; L348-E350 HydrophobicContact CD2-CG 4.29Å; L348-E350 HydrophobicContact CG-CG 4.45Å; E350-V352 HydrophobicContact CG-CG1 4.01Å; E350-V352 PolarHBondContact O-N 3.13Å; E350-H361 HydrophobicContact CG-CB 4.35Å; E350-H361 PolarHBondContact N-O 3.36Å; E350-H361 PolarHBondContact O-N 2.63Å; E350-H361 IonicContact OE1-ND1 2.77Å
351	E	92.1	Very high	90.8	Very high	48 Å²	48	55.1 Å²	55.1	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113	170.4	-170.5	175.3	-124.3	0	0	109.9	I224 K230 K358 L359	I224-E351 HydrophobicContact CD1-CB 4.02Å; K230-E351 WeakPolarHBondContact CE-OE2 3.22Å; K230-E351 IonicContact NZ-OE2 3.94Å; K230-E351 PolarHBondContact NZ-OE2 3.37Å; K230-E351 PolarHBondContact O-N 2.98Å; K230-E351 VanDerWaalsContact O-N 3.1Å; E351-K358 HydrophobicContact CG-CB 4.21Å; E351-K358 HydrophobicContact CG-CD 4.47Å; E351-K358 IonicContact OE2-NZ 3.49Å; E351-L359 CarbonylContact C-O 3.52Å; E351-L359 WeakPolarHBondContact CA-O 3.27Å
352	V	92.5	Very high	91.1	Very high	32 Å²	32	54 Å²	54	19%	0.194	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.6	175.7	-62.4	0	0	0	0	110.7	L219 E350 I354 K358 L359 H361	L219-V352 HydrophobicContact CD2-CG2 3.9Å; E350-V352 HydrophobicContact CG-CG1 4.01Å; E350-V352 PolarHBondContact O-N 3.13Å; V352-I354 HydrophobicContact CG2-CG1 4.42Å; V352-K358 WeakPolarHBondContact O-CA 3.27Å; V352-L359 HydrophobicContact CG2-CB 4.18Å; V352-L359 PolarHBondContact N-O 3.01Å; V352-L359 PolarHBondContact O-N 2.89Å; V352-H361 HydrophobicContact CG1-CB 3.81Å; V352-H361 HydrophobicContact CG2-CB 3.84Å
353	M	90.4	Very high	91.1	Very high	136 Å²	136	49.1 Å²	49.1	67%	0.67	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.9	170.5	-88.6	-173.7	-65.7	0	0	110.3	D357 K358	M353-D357 WeakPolarHBondContact CA-O 3.21Å; M353-K358 HydrophobicContact CG-CG 3.7Å; M353-K358 HydrophobicContact SD-CG 4.42Å
354	I	88	Confident	90.8	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	103.8	172.5	-59	-165.9	0	0	0	108	K204 Y213 L219 V352 E356 D357 L359 V374	K204-I354 HydrophobicContact CB-CG2 4.19Å; K204-I354 HydrophobicContact CG-CG2 3.98Å; Y213-I354 WeakPolarHBondContact OH-CD1 3.22Å; L219-I354 HydrophobicContact CD1-CD1 3.94Å; V352-I354 HydrophobicContact CG2-CG1 4.42Å; I354-E356 PolarHBondContact O-N 3.06Å; I354-D357 PolarHBondContact N-O 3.45Å; I354-D357 PolarHBondContact O-N 3.43Å; I354-L359 HydrophobicContact CB-CD1 3.89Å; I354-L359 HydrophobicContact CD1-CD1 3.58Å; I354-L359 HydrophobicContact CG1-CD1 3.8Å; I354-V374 HydrophobicContact CD1-CG1 4.39Å; I354-V374 HydrophobicContact CD1-CG2 4.16Å; I354-V374 HydrophobicContact CG2-CG1 4.13Å
355	G	84	Confident	90.4	Very high	45 Å²	45	49.6 Å²	49.6	46%	0.464	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-124.4	-170.1	0	0	0	0	0	110.1
356	E	86.5	Confident	89.7	Confident	190 Å²	190	49.9 Å²	49.9	89%	0.888	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-11.8	176.9	-61.2	-177	175.6	0	0	112.8	I354	I354-E356 PolarHBondContact O-N 3.06Å
357	D	88.8	Confident	88.9	Confident	77 Å²	77	52.3 Å²	52.3	41%	0.412	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	145.9	-175.4	-70.3	-33.2	0	0	0	112.5	K204 M353 I354	K204-D357 HydrophobicContact CD-CB 4.15Å; K204-D357 VanDerWaalsContact CD-OD2 3.27Å; K204-D357 WeakPolarHBondContact CD-OD2 3.25Å; K204-D357 WeakPolarHBondContact CE-OD2 3.32Å; K204-D357 IonicContact NZ-OD2 2.63Å; K204-D357 PolarHBondContact NZ-OD2 2.9Å; M353-D357 WeakPolarHBondContact CA-O 3.21Å; I354-D357 PolarHBondContact N-O 3.45Å; I354-D357 PolarHBondContact O-N 3.43Å
358	K	90.1	Very high	88.2	Confident	82 Å²	82	46.3 Å²	46.3	36%	0.357	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.3	173.1	-65.9	177	175.8	-168	0	109.5	E351 V352 M353	E351-K358 HydrophobicContact CG-CB 4.21Å; E351-K358 HydrophobicContact CG-CD 4.47Å; E351-K358 IonicContact OE2-NZ 3.49Å; V352-K358 WeakPolarHBondContact O-CA 3.27Å; M353-K358 HydrophobicContact CG-CG 3.7Å; M353-K358 HydrophobicContact SD-CG 4.42Å
359	L	92.6	Very high	87.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159.5	178.9	-56.7	174.1	0	0	0	109.2	L219 D221 E351 V352 I354	L219-L359 HydrophobicContact CD2-CB 4.5Å; D221-L359 VanDerWaalsContact CA-CD2 3.45Å; D221-L359 HydrophobicContact CB-CD2 3.62Å; D221-L359 VanDerWaalsContact CG-CD2 3.4Å; D221-L359 WeakPolarHBondContact OD1-CD2 3.23Å; E351-L359 CarbonylContact C-O 3.52Å; E351-L359 WeakPolarHBondContact CA-O 3.27Å; V352-L359 HydrophobicContact CG2-CB 4.18Å; V352-L359 PolarHBondContact N-O 3.01Å; V352-L359 PolarHBondContact O-N 2.89Å; I354-L359 HydrophobicContact CB-CD1 3.89Å; I354-L359 HydrophobicContact CD1-CD1 3.58Å; I354-L359 HydrophobicContact CG1-CD1 3.8Å
360	I	92.7	Very high	87.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.5	175.3	-56	169.7	0	0	0	108	L219 L220 K222 I224 I312 I349 F362	L219-I360 WeakPolarHBondContact CA-O 3.39Å; L220-I360 HydrophobicContact CB-CB 4.43Å; L220-I360 PolarHBondContact N-O 3.48Å; L220-I360 PolarHBondContact O-N 3.36Å; K222-I360 HydrophobicContact CB-CD1 4.43Å; K222-I360 WeakPolarHBondContact O-CG1 3.37Å; I224-I360 HydrophobicContact CD1-CD1 4.43Å; I224-I360 HydrophobicContact CD1-CG1 4.23Å; I224-I360 HydrophobicContact CG1-CD1 3.69Å; I224-I360 HydrophobicContact CG1-CG1 4Å; I312-I360 HydrophobicContact CD1-CD1 3.53Å; I312-I360 HydrophobicContact CD1-CG2 4.19Å; I312-I360 HydrophobicContact CG1-CD1 3.76Å; I312-I360 HydrophobicContact CG2-CD1 4Å; I349-I360 HydrophobicContact CG2-CG2 3.44Å; I349-I360 VanDerWaalsContact CG2-CG2 3.44Å; I360-F362 HydrophobicContact CB-CE2 4.14Å; I360-F362 HydrophobicContact CG2-CD2 4.19Å; I360-F362 HydrophobicContact CG2-CE2 3.58Å; I360-F362 HydrophobicContact CG2-CZ 3.93Å
361	H	93.2	Very high	87.2	Confident	30 Å²	30	44.8 Å²	44.8	14%	0.139	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.4	179.6	180	-147.6	0	0	0	110.4	D215 L219 I349 E350 V352 S363	D215-H361 IonicContact OD1-CD2 2.86Å; D215-H361 IonicContact OD1-NE2 2.67Å; D215-H361 PolarHBondContact OD1-NE2 3.33Å; D215-H361 IonicContact OD2-CD2 3.83Å; D215-H361 PolarHBondContact OD2-CD2 3.48Å; D215-H361 VanDerWaalsContact OD2-CD2 3.26Å; D215-H361 IonicContact OD2-NE2 2.7Å; D215-H361 PolarHBondContact OD2-NE2 2.91Å; L219-H361 HydrophobicContact CD2-CB 3.63Å; I349-H361 WeakPolarHBondContact CA-O 3.4Å; E350-H361 HydrophobicContact CG-CB 4.35Å; E350-H361 PolarHBondContact N-O 3.36Å; E350-H361 PolarHBondContact O-N 2.63Å; E350-H361 IonicContact OE1-ND1 2.77Å; V352-H361 HydrophobicContact CG1-CB 3.81Å; V352-H361 HydrophobicContact CG2-CB 3.84Å; H361-S363 PolarHBondContact CE1-OG 2.75Å; H361-S363 PolarHBondContact ND1-OG 3.39Å; H361-S363 PolarHBondContact NE2-OG 2.63Å
362	F	92.6	Very high	87.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	101.6	176.3	-65.7	-100.8	0	0	0	109.3	G217 F218 L220 I237 I291 I312 L323 L348 I349 I360 V365	G217-F362 WeakPolarHBondContact CA-O 3.41Å; F218-F362 HydrophobicContact CB-CB 4.36Å; F218-F362 HydrophobicContact CD1-CD2 4.31Å; F218-F362 PolarHBondContact N-O 3.08Å; F218-F362 VanDerWaalsContact N-O 3.15Å; F218-F362 WeakPolarHBondContact O-CD2 3.44Å; F218-F362 PolarHBondContact O-N 3.44Å; L220-F362 HydrophobicContact CB-CE2 3.95Å; L220-F362 HydrophobicContact CD2-CE2 4.34Å; I237-F362 HydrophobicContact CD1-CD1 4.1Å; I237-F362 HydrophobicContact CD1-CE1 4.07Å; I291-F362 HydrophobicContact CD1-CE1 3.84Å; I291-F362 HydrophobicContact CD1-CZ 3.73Å; I312-F362 HydrophobicContact CD1-CZ 3.87Å; L323-F362 HydrophobicContact CD2-CD1 4.41Å; L323-F362 HydrophobicContact CD2-CD2 4.16Å; L323-F362 HydrophobicContact CD2-CE1 4.11Å; L323-F362 HydrophobicContact CD2-CE2 3.85Å; L323-F362 HydrophobicContact CD2-CG 4.44Å; L323-F362 HydrophobicContact CD2-CZ 3.83Å; L348-F362 CarbonylContact O-C 3.53Å; I349-F362 HydrophobicContact CD1-CD1 3.86Å; I349-F362 HydrophobicContact CD1-CE1 3.59Å; I349-F362 HydrophobicContact CG1-CD1 3.73Å; I349-F362 HydrophobicContact CG1-CE1 3.93Å; I349-F362 HydrophobicContact CG2-CD1 4.39Å; I349-F362 HydrophobicContact CG2-CE1 4.19Å; I349-F362 HydrophobicContact CG2-CZ 4.4Å; I360-F362 HydrophobicContact CB-CE2 4.14Å; I360-F362 HydrophobicContact CG2-CD2 4.19Å; I360-F362 HydrophobicContact CG2-CE2 3.58Å; I360-F362 HydrophobicContact CG2-CZ 3.93Å; F362-V365 HydrophobicContact CB-CG1 4.37Å; F362-V365 WeakPolarHBondContact O-CG1 3.38Å
363	S	90.7	Very high	87.3	Confident	25 Å²	25	41 Å²	41	18%	0.175	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.3	-178.7	-34.9	0	0	0	0	112.4	K347 L348 H361	K347-S363 PolarHBondContact N-O 3.24Å; K347-S363 VanDerWaalsContact N-O 3.1Å; L348-S363 PolarHBondContact N-O 3.31Å; L348-S363 VanDerWaalsContact N-O 3.1Å; L348-S363 PolarHBondContact O-N 2.79Å; H361-S363 PolarHBondContact CE1-OG 2.75Å; H361-S363 PolarHBondContact ND1-OG 3.39Å; H361-S363 PolarHBondContact NE2-OG 2.63Å
364	G	85.8	Confident	87.5	Confident	35 Å²	35	34.5 Å²	34.5	36%	0.361	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.1	61.3	176.5	0	0	0	0	0	112.6	C346 K347	C346-G364 WeakPolarHBondContact CA-O 3.1Å; K347-G364 PolarHBondContact N-O 3.05Å
365	V	83.9	Confident	87.9	Confident	30 Å²	30	33.9 Å²	33.9	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	148.9	-173.7	-61.2	0	0	0	0	111	V326 C346 F362	V326-V365 HydrophobicContact CG1-CB 3.44Å; V326-V365 VanDerWaalsContact CG1-CB 3.44Å; V326-V365 HydrophobicContact CG1-CG1 3.2Å; V326-V365 HydrophobicContact CG1-CG2 3.9Å; C346-V365 HydrophobicContact CB-CG1 4.41Å; F362-V365 HydrophobicContact CB-CG1 4.37Å; F362-V365 WeakPolarHBondContact O-CG1 3.38Å
366	A	75.4	Confident	88.3	Confident	66 Å²	66	33.8 Å²	33.8	55%	0.545	19%	0.19	S	C	.	.	S	Bend	trans	-78.3	-45.4	-168.4	0	0	0	0	0	114	V326	V326-A366 PolarHBondContact O-N 3.42Å
367	L	76.2	Confident	88.6	Confident	59 Å²	59	24.7 Å²	24.7	31%	0.309	15%	0.148	S	C	.	.	S	Bend	trans	-96.2	-39	-178.4	-96.3	111.7	0	0	0	112.7	K191 L325 V326 G328 E369	K191-L367 PolarHBondContact NZ-O 3.3Å; L325-L367 WeakPolarHBondContact O-CB 3.34Å; V326-L367 PolarHBondContact O-N 3.31Å; G328-L367 VanDerWaalsContact CA-CD1 3.42Å; L367-E369 HydrophobicContact CB-CG 4.27Å; L367-E369 VanDerWaalsContact CD2-CD 3.44Å; L367-E369 HydrophobicContact CD2-CG 4.12Å; L367-E369 WeakPolarHBondContact CD2-OE1 3.37Å; L367-E369 PolarHBondContact O-N 3.44Å
368	G	76.8	Confident	88.7	Confident	20 Å²	20	24.6 Å²	24.6	21%	0.206	16%	0.157	C	C	.	.			trans	61.7	25.1	178.3	0	0	0	0	0	114.5	A370	G368-A370 VanDerWaalsContact C-N 3.32Å
369	E	82.7	Confident	88.8	Confident	51 Å²	51	23.4 Å²	23.4	24%	0.238	16%	0.157	C	C	.	.			trans	-84.5	-4.5	-176.5	-69.8	-177.1	173.5	0	0	114.1	L190 K191 L367	L190-E369 WeakPolarHBondContact CD2-O 3.31Å; K191-E369 HydrophobicContact CD-CG 4.12Å; L367-E369 HydrophobicContact CB-CG 4.27Å; L367-E369 VanDerWaalsContact CD2-CD 3.44Å; L367-E369 HydrophobicContact CD2-CG 4.12Å; L367-E369 WeakPolarHBondContact CD2-OE1 3.37Å; L367-E369 PolarHBondContact O-N 3.44Å
370	A	86.1	Confident	88.7	Confident	2 Å²	2	26.9 Å²	26.9	2%	0.017	17%	0.173	C	C	.	.	S	Bend	trans	-127.3	153.1	170	0	0	0	0	0	108.5	A198 R322 L325 V326 G368	A198-A370 HydrophobicContact CB-CB 4.09Å; A198-A370 WeakPolarHBondContact O-CA 3.32Å; A198-A370 WeakPolarHBondContact O-CB 3.48Å; R322-A370 HydrophobicContact CB-CB 4.3Å; R322-A370 HydrophobicContact CG-CB 4.49Å; L325-A370 HydrophobicContact CB-CB 4.05Å; V326-A370 HydrophobicContact CG2-CB 3.5Å; V326-A370 WeakPolarHBondContact CG2-O 3.28Å; G368-A370 VanDerWaalsContact C-N 3.32Å
371	C	89.7	Confident	88.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	164	-173.2	69	0	0	0	0	111	A198 H200 L214	A198-C371 PolarHBondContact O-N 2.56Å; H200-C371 PolarHBondContact N-O 3.44Å; L214-C371 HydrophobicContact CD1-CB 3.76Å
372	T	93.1	Very high	88.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.5	178	-49.1	0	0	0	0	110.7	H200 I202 D215 F218 L219	H200-T372 HydrophobicContact CB-CG2 4.17Å; H200-T372 CarbonylContact O-C 3.02Å; H200-T372 VanDerWaalsContact O-CA 3.27Å; H200-T372 WeakPolarHBondContact O-CA 3.47Å; H200-T372 WeakPolarHBondContact O-CG2 3.35Å; I202-T372 HydrophobicContact CD1-CG2 3.56Å; I202-T372 HydrophobicContact CG1-CG2 3.75Å; D215-T372 PolarHBondContact N-O 3.12Å; F218-T372 WeakPolarHBondContact CD2-OG1 3.35Å; L219-T372 HydrophobicContact CB-CG2 3.8Å; L219-T372 HydrophobicContact CD1-CG2 4.4Å; L219-T372 PolarHBondContact N-OG1 2.67Å; L219-T372 PolarHBondContact O-OG1 2.9Å
373	I	94.5	Very high	88.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.8	172.2	-58.6	172.5	0	0	0	107.5	A186 I199 H200 I201 I202 L214 L375 L390 L394	A186-I373 HydrophobicContact CB-CD1 3.87Å; I199-I373 HydrophobicContact CG2-CD1 3.78Å; I199-I373 HydrophobicContact CG2-CG1 4.17Å; H200-I373 PolarHBondContact O-N 3.39Å; I201-I373 WeakPolarHBondContact CA-O 3.41Å; I202-I373 PolarHBondContact N-O 3.22Å; L214-I373 HydrophobicContact CD1-CG1 3.72Å; I373-L375 HydrophobicContact CG2-CD2 4.15Å; I373-L390 HydrophobicContact CB-CD2 4.4Å; I373-L390 HydrophobicContact CD1-CD2 3.82Å; I373-L390 HydrophobicContact CG2-CD2 3.79Å; I373-L394 HydrophobicContact CD1-CD1 4.39Å
374	V	94.9	Very high	88.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.4	174.1	-177.9	0	0	0	0	108.2	I202 S212 Y213 L219 I354 R376	I202-V374 CarbonylContact O-C 3.59Å; I202-V374 WeakPolarHBondContact O-CA 3.34Å; S212-V374 CarbonylContact C-O 3.53Å; S212-V374 WeakPolarHBondContact CA-O 3.32Å; S212-V374 VanDerWaalsContact CB-O 3.23Å; S212-V374 WeakPolarHBondContact CB-O 3.31Å; Y213-V374 HydrophobicContact CD1-CB 4.32Å; Y213-V374 HydrophobicContact CE1-CB 4Å; Y213-V374 HydrophobicContact CE1-CG1 4.26Å; Y213-V374 HydrophobicContact CE1-CG2 4.3Å; Y213-V374 HydrophobicContact CE2-CG2 4.3Å; Y213-V374 PolarHBondContact N-O 3.33Å; Y213-V374 PolarHBondContact O-N 2.81Å; L219-V374 HydrophobicContact CD1-CG2 3.32Å; I354-V374 HydrophobicContact CD1-CG1 4.39Å; I354-V374 HydrophobicContact CD1-CG2 4.16Å; I354-V374 HydrophobicContact CG2-CG1 4.13Å; V374-R376 HydrophobicContact CG1-CG 4.42Å
375	L	94.9	Very high	88.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.8	172.9	-65.2	-178.7	0	0	0	110.2	F179 I201 I202 K203 K204 I373 L383 A386 E387 L390	F179-L375 HydrophobicContact CE1-CD2 3.65Å; F179-L375 HydrophobicContact CZ-CD2 4.35Å; I201-L375 HydrophobicContact CG2-CD1 3.47Å; I201-L375 VanDerWaalsContact CG2-CD1 3.47Å; I201-L375 HydrophobicContact CG2-CG 3.83Å; I202-L375 PolarHBondContact O-N 3.04Å; K203-L375 HydrophobicContact CG-CB 4.47Å; K204-L375 PolarHBondContact N-O 3.13Å; I373-L375 HydrophobicContact CG2-CD2 4.15Å; L375-L383 HydrophobicContact CB-CD2 3.99Å; L375-L383 WeakPolarHBondContact O-CD2 3.27Å; L375-A386 HydrophobicContact CD1-CB 4.32Å; L375-E387 VanDerWaalsContact CD1-CA 3.49Å; L375-E387 HydrophobicContact CD1-CB 3.84Å; L375-L390 HydrophobicContact CD1-CD2 4.47Å; L375-L390 HydrophobicContact CD2-CD2 4.09Å
376	R	93.2	Very high	89.1	Confident	42 Å²	42	29.7 Å²	29.7	16%	0.158	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	145.3	175.8	-62.9	-60.7	-61.6	-125.9	-2	109.5	G206 S208 L209 D211 S212 V374 L383	G206-R376 PolarHBondContact O-NE 2.98Å; G206-R376 PolarHBondContact O-NH2 3.04Å; S208-R376 WeakPolarHBondContact O-CB 3.39Å; L209-R376 WeakPolarHBondContact CA-O 3.37Å; L209-R376 WeakPolarHBondContact CD2-O 3.4Å; D211-R376 HydrophobicContact CB-CB 4.08Å; D211-R376 HydrophobicContact CB-CG 4.16Å; S212-R376 PolarHBondContact OG-N 3.15Å; V374-R376 HydrophobicContact CG1-CG 4.42Å; R376-L383 VanDerWaalsContact C-CD2 3.44Å
377	G	92.1	Very high	89.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	153.4	-175.1	0	0	0	0	0	112.8	G206	G206-G377 PolarHBondContact N-O 3.01Å; G206-G377 PolarHBondContact O-N 2.86Å
378	A	91.8	Very high	90.6	Very high	74 Å²	74	29.1 Å²	29.1	61%	0.612	16%	0.157	S	C	*	.	S	Bend	trans	-71.6	-34.1	-174	0	0	0	0	0	113.4
379	T	91.6	Very high	91.2	Very high	58 Å²	58	28.1 Å²	28.1	36%	0.356	15%	0.147	S	C	.	.	S	Bend	trans	-132.7	157.3	-178.5	66	0	0	0	0	110.9	Q381 I382 L383	T379-Q381 VanDerWaalsContact C-N 3.28Å; T379-Q381 PolarHBondContact O-N 3.41Å; T379-I382 PolarHBondContact O-N 2.97Å; T379-I382 WeakPolarHBondContact OG1-CD1 3.42Å; T379-I382 VanDerWaalsContact OG1-CG1 3.3Å; T379-I382 WeakPolarHBondContact OG1-CG1 3.34Å; T379-I382 PolarHBondContact OG1-N 3.43Å; T379-L383 PolarHBondContact O-N 3.31Å
380	Q	90.8	Very high	91.7	Very high	73 Å²	73	25.7 Å²	25.7	34%	0.341	14%	0.136	S	C	.	.	H	α-helix	trans	-62	-37.7	179.5	-171.1	60.7	38.4	0	0	111.7	L205 I382 L383 D384	L205-Q380 HydrophobicContact CD2-CB 4.34Å; Q380-I382 VanDerWaalsContact C-N 3.33Å; Q380-I382 PolarHBondContact O-N 3.48Å; Q380-L383 WeakPolarHBondContact O-CB 3.34Å; Q380-L383 PolarHBondContact O-N 2.84Å; Q380-L383 VanDerWaalsContact O-N 3.16Å; Q380-D384 PolarHBondContact NE2-OD1 3.24Å; Q380-D384 PolarHBondContact O-N 2.87Å
381	Q	90.2	Very high	92	Very high	75 Å²	75	29.6 Å²	29.6	35%	0.35	15%	0.154	S	C	.	.	H	α-helix	trans	-63.1	-39.8	179.2	-63.8	78.4	9	0	0	112	L61 T379 L383 E385	L61-Q381 HydrophobicContact CD2-CG 3.98Å; T379-Q381 VanDerWaalsContact C-N 3.28Å; T379-Q381 PolarHBondContact O-N 3.41Å; Q381-L383 VanDerWaalsContact C-N 3.35Å; Q381-E385 WeakPolarHBondContact O-CB 3.46Å; Q381-E385 PolarHBondContact O-N 3.29Å
382	I	91.3	Very high	92	Very high	50 Å²	50	29.8 Å²	29.8	26%	0.256	16%	0.155	S	C	.	.	H	α-helix	trans	-64.6	-41.8	175.4	-72.3	172.9	0	0	0	110.5	L171 L209 T379 Q380 A386	L171-I382 HydrophobicContact CD2-CB 4.02Å; L171-I382 HydrophobicContact CD2-CG1 3.95Å; L171-I382 HydrophobicContact CD2-CG2 3.74Å; L209-I382 HydrophobicContact CD1-CG2 3.82Å; L209-I382 HydrophobicContact CD2-CG2 3.78Å; L209-I382 HydrophobicContact CG-CG2 3.86Å; T379-I382 PolarHBondContact O-N 2.97Å; T379-I382 WeakPolarHBondContact OG1-CD1 3.42Å; T379-I382 VanDerWaalsContact OG1-CG1 3.3Å; T379-I382 WeakPolarHBondContact OG1-CG1 3.34Å; T379-I382 PolarHBondContact OG1-N 3.43Å; Q380-I382 VanDerWaalsContact C-N 3.33Å; Q380-I382 PolarHBondContact O-N 3.48Å; I382-A386 WeakPolarHBondContact O-CB 3.44Å; I382-A386 PolarHBondContact O-N 3.49Å
383	L	92.5	Very high	92	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-42.7	178.3	-74.5	174.7	0	0	0	112.4	K203 L205 L375 R376 T379 Q380 Q381 A386 E387	K203-L383 HydrophobicContact CB-CB 4.41Å; K203-L383 HydrophobicContact CB-CD1 4.29Å; K203-L383 HydrophobicContact CD-CB 4.05Å; K203-L383 HydrophobicContact CG-CB 4.35Å; L205-L383 HydrophobicContact CD2-CD1 3.63Å; L205-L383 HydrophobicContact CG-CD1 3.97Å; L375-L383 HydrophobicContact CB-CD2 3.99Å; L375-L383 WeakPolarHBondContact O-CD2 3.27Å; R376-L383 VanDerWaalsContact C-CD2 3.44Å; T379-L383 PolarHBondContact O-N 3.31Å; Q380-L383 WeakPolarHBondContact O-CB 3.34Å; Q380-L383 PolarHBondContact O-N 2.84Å; Q380-L383 VanDerWaalsContact O-N 3.16Å; Q381-L383 VanDerWaalsContact C-N 3.35Å; L383-A386 PolarHBondContact O-N 2.67Å; L383-E387 WeakPolarHBondContact O-CB 3.31Å; L383-E387 PolarHBondContact O-N 3.29Å
384	D	91.2	Very high	92	Very high	50 Å²	50	30 Å²	30	27%	0.267	16%	0.156	S	C	.	.	H	α-helix	trans	-64.9	-41.3	178.8	-65.6	-20.5	0	0	0	111.1	K203 Q380 R388	K203-D384 IonicContact NZ-OD1 3.2Å; K203-D384 PolarHBondContact NZ-OD1 3.03Å; Q380-D384 PolarHBondContact NE2-OD1 3.24Å; Q380-D384 PolarHBondContact O-N 2.87Å; D384-R388 PolarHBondContact O-N 3.49Å; D384-R388 VanDerWaalsContact O-N 3.14Å
385	E	90.1	Very high	91.8	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-72.9	-34.5	175.9	-175.1	60.7	-175	0	0	112.5	T64 N65 L171 Q381 R388 S389	T64-E385 VanDerWaalsContact CA-OE2 3.25Å; T64-E385 WeakPolarHBondContact CA-OE2 3.41Å; T64-E385 WeakPolarHBondContact CB-OE2 3.47Å; T64-E385 PolarHBondContact OG1-OE1 3.37Å; T64-E385 PolarHBondContact OG1-OE2 3.02Å; N65-E385 PolarHBondContact N-OE1 2.95Å; L171-E385 HydrophobicContact CB-CG 4.21Å; L171-E385 HydrophobicContact CD2-CB 4.47Å; Q381-E385 WeakPolarHBondContact O-CB 3.46Å; Q381-E385 PolarHBondContact O-N 3.29Å; E385-R388 PolarHBondContact O-N 2.92Å; E385-R388 IonicContact OE2-NH1 3.71Å; E385-R388 PolarHBondContact OE2-NH1 2.81Å; E385-S389 VanDerWaalsContact O-CB 3.25Å; E385-S389 WeakPolarHBondContact O-CB 3.38Å; E385-S389 PolarHBondContact O-N 3.2Å; E385-S389 PolarHBondContact O-OG 3.34Å
386	A	92.6	Very high	91.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-41.9	173.8	0	0	0	0	0	111.9	L172 L209 L375 I382 L383 S389 L390	L172-A386 HydrophobicContact CD2-CB 3.84Å; L209-A386 HydrophobicContact CD2-CB 3.82Å; L375-A386 HydrophobicContact CD1-CB 4.32Å; I382-A386 WeakPolarHBondContact O-CB 3.44Å; I382-A386 PolarHBondContact O-N 3.49Å; L383-A386 PolarHBondContact O-N 2.67Å; A386-S389 PolarHBondContact O-N 3.02Å; A386-L390 VanDerWaalsContact O-CB 3.23Å; A386-L390 WeakPolarHBondContact O-CB 3.29Å; A386-L390 PolarHBondContact O-N 2.98Å
387	E	92.6	Very high	91.7	Very high	62 Å²	62	28.6 Å²	28.6	29%	0.29	15%	0.152	S	C	.	.	H	α-helix	trans	-59.2	-47.9	174	174.7	179.6	-150.7	0	0	111	I201 K203 L375 L383 L390 H391	I201-E387 HydrophobicContact CD1-CG 4.19Å; I201-E387 HydrophobicContact CG2-CB 4.46Å; I201-E387 HydrophobicContact CG2-CG 4.11Å; K203-E387 HydrophobicContact CD-CB 4.08Å; K203-E387 VanDerWaalsContact CD-OE2 3.23Å; K203-E387 WeakPolarHBondContact CD-OE2 3.14Å; K203-E387 WeakPolarHBondContact CE-OE2 3.42Å; K203-E387 IonicContact NZ-OE2 3.72Å; K203-E387 PolarHBondContact NZ-OE2 2.92Å; L375-E387 VanDerWaalsContact CD1-CA 3.49Å; L375-E387 HydrophobicContact CD1-CB 3.84Å; L383-E387 WeakPolarHBondContact O-CB 3.31Å; L383-E387 PolarHBondContact O-N 3.29Å; E387-L390 PolarHBondContact O-N 2.83Å; E387-H391 WeakPolarHBondContact O-CB 3.23Å; E387-H391 PolarHBondContact O-N 2.99Å
388	R	89.1	Confident	91.6	Very high	50 Å²	50	28.9 Å²	28.9	19%	0.189	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-49.2	177.8	-172.8	174.6	-64.3	138.5	1.5	112	M62 T64 D66 T69 D384 E385 L390 H391 D392	M62-R388 PolarHBondContact SD-NH1 3.39Å; M62-R388 PolarHBondContact SD-NH2 3.36Å; M62-R388 VanDerWaalsContact SD-NH2 3.35Å; T64-R388 VanDerWaalsContact CB-NH1 3.28Å; T64-R388 PolarHBondContact OG1-NH1 3.06Å; D66-R388 HydrophobicContact CB-CG 4.43Å; T69-R388 WeakPolarHBondContact OG1-CD 3.27Å; T69-R388 PolarHBondContact OG1-NE 3.47Å; T69-R388 VanDerWaalsContact OG1-NE 3.12Å; D384-R388 PolarHBondContact O-N 3.49Å; D384-R388 VanDerWaalsContact O-N 3.14Å; E385-R388 PolarHBondContact O-N 2.92Å; E385-R388 IonicContact OE2-NH1 3.71Å; E385-R388 PolarHBondContact OE2-NH1 2.81Å; R388-L390 PolarHBondContact O-N 2.88Å; R388-H391 WeakPolarHBondContact O-CB 3.46Å; R388-H391 PolarHBondContact O-N 3.19Å; R388-D392 VanDerWaalsContact O-CG 3.28Å; R388-D392 PolarHBondContact O-N 3.2Å
389	S	91.3	Very high	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.8	-40.2	178.8	-62.1	0	0	0	0	112.4	L167 K170 E385 A386 A393	L167-S389 WeakPolarHBondContact CD2-O 3.2Å; K170-S389 WeakPolarHBondContact CB-OG 3.45Å; K170-S389 WeakPolarHBondContact CD-OG 3.27Å; E385-S389 VanDerWaalsContact O-CB 3.25Å; E385-S389 WeakPolarHBondContact O-CB 3.38Å; E385-S389 PolarHBondContact O-N 3.2Å; E385-S389 PolarHBondContact O-OG 3.34Å; A386-S389 PolarHBondContact O-N 3.02Å; S389-A393 PolarHBondContact O-N 3.32Å
390	L	92.6	Very high	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70.5	-41.6	176.1	180	62.5	0	0	0	111.5	A183 I201 I373 L375 A386 E387 R388 D392 A393 L394	A183-L390 HydrophobicContact CB-CD1 4.02Å; I201-L390 HydrophobicContact CD1-CD2 4.17Å; I373-L390 HydrophobicContact CB-CD2 4.4Å; I373-L390 HydrophobicContact CD1-CD2 3.82Å; I373-L390 HydrophobicContact CG2-CD2 3.79Å; L375-L390 HydrophobicContact CD1-CD2 4.47Å; L375-L390 HydrophobicContact CD2-CD2 4.09Å; A386-L390 VanDerWaalsContact O-CB 3.23Å; A386-L390 WeakPolarHBondContact O-CB 3.29Å; A386-L390 PolarHBondContact O-N 2.98Å; E387-L390 PolarHBondContact O-N 2.83Å; R388-L390 PolarHBondContact O-N 2.88Å; L390-D392 VanDerWaalsContact C-N 3.33Å; L390-D392 PolarHBondContact O-N 3.36Å; L390-A393 PolarHBondContact O-N 3.05Å; L390-L394 HydrophobicContact CD1-CG 4.29Å; L390-L394 HydrophobicContact CG-CD1 4.06Å; L390-L394 HydrophobicContact CG-CG 4.3Å; L390-L394 VanDerWaalsContact O-CG 3.27Å; L390-L394 WeakPolarHBondContact O-CG 3.17Å; L390-L394 PolarHBondContact O-N 3.19Å
391	H	91.5	Very high	91.3	Very high	84 Å²	84	24.1 Å²	24.1	39%	0.389	12%	0.119	S	C	.	.	H	α-helix	trans	-55	-49	176	-177.4	71.5	0	0	0	111.4	E387 R388 A393 L394 C395	E387-H391 WeakPolarHBondContact O-CB 3.23Å; E387-H391 PolarHBondContact O-N 2.99Å; R388-H391 WeakPolarHBondContact O-CB 3.46Å; R388-H391 PolarHBondContact O-N 3.19Å; H391-A393 VanDerWaalsContact C-N 3.31Å; H391-A393 PolarHBondContact O-N 3.03Å; H391-L394 WeakPolarHBondContact O-CB 3.45Å; H391-L394 PolarHBondContact O-N 3.15Å; H391-L394 VanDerWaalsContact O-N 3.08Å; H391-C395 PolarHBondContact NE2-SG 2.63Å; H391-C395 VanDerWaalsContact NE2-SG 3.44Å; H391-C395 PolarHBondContact O-N 3.15Å; H391-C395 PolarHBondContact O-SG 3.21Å
392	D	91.2	Very high	91.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-42.9	178.7	-57.1	-10.5	0	0	0	111.5	G96 T166 K170 R388 L390 L394 C395 V396	G96-D392 WeakPolarHBondContact O-CB 3.17Å; T166-D392 HydrophobicContact CG2-CB 4.48Å; K170-D392 VanDerWaalsContact NZ-CG 3.31Å; K170-D392 IonicContact NZ-OD2 3.41Å; K170-D392 PolarHBondContact NZ-OD2 3.13Å; R388-D392 VanDerWaalsContact O-CG 3.28Å; R388-D392 PolarHBondContact O-N 3.2Å; L390-D392 VanDerWaalsContact C-N 3.33Å; L390-D392 PolarHBondContact O-N 3.36Å; D392-L394 PolarHBondContact O-N 3.41Å; D392-C395 PolarHBondContact O-N 3.14Å; D392-V396 WeakPolarHBondContact O-CG2 3.27Å; D392-V396 PolarHBondContact O-N 3.35Å; D392-V396 VanDerWaalsContact O-N 3.07Å
393	A	92.5	Very high	91.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-42.1	175.6	0	0	0	0	0	111.8	T166 L167 S389 L390 H391 L397	T166-A393 HydrophobicContact CG2-CB 4.45Å; L167-A393 HydrophobicContact CD1-CB 4.43Å; L167-A393 HydrophobicContact CD2-CB 3.91Å; L167-A393 HydrophobicContact CG-CB 4.04Å; S389-A393 PolarHBondContact O-N 3.32Å; L390-A393 PolarHBondContact O-N 3.05Å; H391-A393 VanDerWaalsContact C-N 3.31Å; H391-A393 PolarHBondContact O-N 3.03Å; A393-L397 WeakPolarHBondContact O-CB 3.42Å; A393-L397 WeakPolarHBondContact O-CG 3.07Å; A393-L397 PolarHBondContact O-N 3.26Å
394	L	93.3	Very high	91	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-40.3	176.4	-66.6	172.7	0	0	0	111.6	A183 A186 V187 L196 I199 I201 I373 L390 H391 D392 L397 A398	A183-L394 HydrophobicContact CB-CD2 4.11Å; A186-L394 HydrophobicContact CB-CD2 4.15Å; V187-L394 HydrophobicContact CG2-CD2 3.67Å; L196-L394 HydrophobicContact CD2-CB 3.87Å; I199-L394 HydrophobicContact CD1-CD1 3.97Å; I199-L394 HydrophobicContact CD1-CD2 3.74Å; I199-L394 HydrophobicContact CD1-CG 4.34Å; I199-L394 HydrophobicContact CG2-CD1 4.03Å; I201-L394 HydrophobicContact CD1-CD1 4.41Å; I373-L394 HydrophobicContact CD1-CD1 4.39Å; L390-L394 HydrophobicContact CD1-CG 4.29Å; L390-L394 HydrophobicContact CG-CD1 4.06Å; L390-L394 HydrophobicContact CG-CG 4.3Å; L390-L394 VanDerWaalsContact O-CG 3.27Å; L390-L394 WeakPolarHBondContact O-CG 3.17Å; L390-L394 PolarHBondContact O-N 3.19Å; H391-L394 WeakPolarHBondContact O-CB 3.45Å; H391-L394 PolarHBondContact O-N 3.15Å; H391-L394 VanDerWaalsContact O-N 3.08Å; D392-L394 PolarHBondContact O-N 3.41Å; L394-L397 PolarHBondContact O-N 3.3Å; L394-A398 VanDerWaalsContact O-CB 3.25Å; L394-A398 WeakPolarHBondContact O-CB 3.4Å; L394-A398 PolarHBondContact O-N 3.3Å
395	C	91.7	Very high	91.2	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.074	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-52.2	175.9	-69.7	0	0	0	0	111.9	V95 L196 H391 D392 L397 A398 Q399	V95-C395 WeakPolarHBondContact O-CB 3.18Å; L196-C395 HydrophobicContact CD1-CB 4.22Å; L196-C395 WeakPolarHBondContact CD1-SG 3.46Å; H391-C395 PolarHBondContact NE2-SG 2.63Å; H391-C395 VanDerWaalsContact NE2-SG 3.44Å; H391-C395 PolarHBondContact O-N 3.15Å; H391-C395 PolarHBondContact O-SG 3.21Å; D392-C395 PolarHBondContact O-N 3.14Å; C395-L397 VanDerWaalsContact C-N 3.33Å; C395-L397 PolarHBondContact O-N 3.22Å; C395-A398 PolarHBondContact O-N 3.28Å; C395-Q399 WeakPolarHBondContact O-CG 3.25Å; C395-Q399 PolarHBondContact O-N 3.43Å
396	V	92.4	Very high	91.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-43.4	-179.6	178.1	0	0	0	0	111.1	D97 I162 D392 Q399 T400 V499	D97-V396 HydrophobicContact CB-CG2 3.2Å; I162-V396 HydrophobicContact CG2-CG1 3.42Å; I162-V396 VanDerWaalsContact CG2-CG1 3.42Å; D392-V396 WeakPolarHBondContact O-CG2 3.27Å; D392-V396 PolarHBondContact O-N 3.35Å; D392-V396 VanDerWaalsContact O-N 3.07Å; V396-Q399 PolarHBondContact O-N 2.92Å; V396-T400 WeakPolarHBondContact O-CB 3.47Å; V396-T400 PolarHBondContact O-N 3.04Å; V396-T400 PolarHBondContact O-OG1 3.46Å; V396-V499 HydrophobicContact CG1-CG2 4.06Å; V396-V499 HydrophobicContact CG2-CG2 4.1Å
397	L	92.8	Very high	91.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-44.7	177.3	-71.2	176.3	0	0	0	111.7	L159 A163 A183 V184 V187 A393 L394 C395 Q399 T400 V401	L159-L397 HydrophobicContact CB-CD2 3.81Å; L159-L397 HydrophobicContact CD2-CD2 3.64Å; L159-L397 HydrophobicContact CG-CD2 4.27Å; L159-L397 WeakPolarHBondContact O-CD2 3.23Å; A163-L397 HydrophobicContact CB-CD1 4.03Å; A163-L397 HydrophobicContact CB-CD2 4.13Å; A163-L397 HydrophobicContact CB-CG 4.29Å; A183-L397 HydrophobicContact CB-CD1 3.74Å; V184-L397 HydrophobicContact CG2-CD1 4.08Å; V184-L397 HydrophobicContact CG2-CD2 4.29Å; V187-L397 HydrophobicContact CB-CB 4.27Å; V187-L397 HydrophobicContact CG1-CB 4.16Å; V187-L397 HydrophobicContact CG2-CB 3.81Å; V187-L397 HydrophobicContact CG2-CD1 4.11Å; A393-L397 WeakPolarHBondContact O-CB 3.42Å; A393-L397 WeakPolarHBondContact O-CG 3.07Å; A393-L397 PolarHBondContact O-N 3.26Å; L394-L397 PolarHBondContact O-N 3.3Å; C395-L397 VanDerWaalsContact C-N 3.33Å; C395-L397 PolarHBondContact O-N 3.22Å; L397-Q399 VanDerWaalsContact C-N 3.3Å; L397-Q399 PolarHBondContact O-N 3.19Å; L397-T400 PolarHBondContact O-N 3.12Å; L397-T400 VanDerWaalsContact O-N 3.15Å; L397-V401 WeakPolarHBondContact O-CG2 3.38Å; L397-V401 PolarHBondContact O-N 3.38Å
398	A	91.1	Very high	91.6	Very high	5 Å²	5	28 Å²	28	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-36.6	178.4	0	0	0	0	0	112.3	L196 L394 C395 K402	L196-A398 HydrophobicContact CD2-CB 3.82Å; L196-A398 HydrophobicContact CG-CB 4.38Å; L394-A398 VanDerWaalsContact O-CB 3.25Å; L394-A398 WeakPolarHBondContact O-CB 3.4Å; L394-A398 PolarHBondContact O-N 3.3Å; C395-A398 PolarHBondContact O-N 3.28Å; A398-K402 PolarHBondContact O-N 3.24Å
399	Q	89	Confident	91.9	Very high	56 Å²	56	25.7 Å²	25.7	26%	0.262	12%	0.122	S	C	.	.	H	α-helix	trans	-72.3	-36.1	173.3	-64.7	-62.3	-2.4	0	0	112.4	E94 V95 C395 V396 L397 V401 K402 D403	E94-Q399 PolarHBondContact O-NE2 2.99Å; V95-Q399 HydrophobicContact CG1-CG 4.49Å; C395-Q399 WeakPolarHBondContact O-CG 3.25Å; C395-Q399 PolarHBondContact O-N 3.43Å; V396-Q399 PolarHBondContact O-N 2.92Å; L397-Q399 VanDerWaalsContact C-N 3.3Å; L397-Q399 PolarHBondContact O-N 3.19Å; Q399-V401 VanDerWaalsContact C-N 3.28Å; Q399-V401 PolarHBondContact O-N 2.97Å; Q399-K402 WeakPolarHBondContact O-CB 3.15Å; Q399-K402 PolarHBondContact O-N 3.36Å; Q399-D403 PolarHBondContact O-N 3.48Å
400	T	90.3	Very high	91.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-28	176.5	-52.9	0	0	0	0	112	F155 L159 I162 V396 L397 K402 D403 S404 S496	F155-T400 HydrophobicContact CE2-CG2 4.26Å; F155-T400 HydrophobicContact CZ-CG2 4.49Å; L159-T400 HydrophobicContact CD2-CG2 3.86Å; I162-T400 HydrophobicContact CD1-CG2 3.71Å; V396-T400 WeakPolarHBondContact O-CB 3.47Å; V396-T400 PolarHBondContact O-N 3.04Å; V396-T400 PolarHBondContact O-OG1 3.46Å; L397-T400 PolarHBondContact O-N 3.12Å; L397-T400 VanDerWaalsContact O-N 3.15Å; T400-K402 VanDerWaalsContact C-N 3.29Å; T400-K402 PolarHBondContact O-N 3.15Å; T400-D403 CarbonylContact C-O 3.51Å; T400-D403 WeakPolarHBondContact CA-O 3.38Å; T400-D403 CarbonylContact O-C 3.53Å; T400-D403 PolarHBondContact O-N 3.35Å; T400-S404 WeakPolarHBondContact O-CA 3.5Å; T400-S404 PolarHBondContact O-N 3.45Å; T400-S496 WeakPolarHBondContact OG1-CB 3.34Å; T400-S496 PolarHBondContact OG1-OG 3.46Å
401	V	88.9	Confident	91.9	Very high	50 Å²	50	26.6 Å²	26.6	30%	0.303	13%	0.131	S	C	.	.	H	α-helix	trans	-67.3	-30.8	169.9	171.6	0	0	0	0	111.8	F155 L159 V187 L397 Q399	F155-V401 HydrophobicContact CE1-CG2 4.37Å; F155-V401 HydrophobicContact CZ-CG2 4.43Å; L159-V401 HydrophobicContact CD1-CG2 4.5Å; V187-V401 HydrophobicContact CG1-CG2 3.82Å; L397-V401 WeakPolarHBondContact O-CG2 3.38Å; L397-V401 PolarHBondContact O-N 3.38Å; Q399-V401 VanDerWaalsContact C-N 3.28Å; Q399-V401 PolarHBondContact O-N 2.97Å
402	K	87.1	Confident	92	Very high	131 Å²	131	22.7 Å²	22.7	57%	0.57	11%	0.113	S	C	*	.	H	α-helix	trans	-78.7	-34.7	174.1	-65.1	176.4	-172.4	166.2	0	112.4	A398 Q399 T400	A398-K402 PolarHBondContact O-N 3.24Å; Q399-K402 WeakPolarHBondContact O-CB 3.15Å; Q399-K402 PolarHBondContact O-N 3.36Å; T400-K402 VanDerWaalsContact C-N 3.29Å; T400-K402 PolarHBondContact O-N 3.15Å
403	D	89.4	Confident	92.2	Very high	22 Å²	22	22.6 Å²	22.6	12%	0.118	11%	0.113	C	C	.	.			trans	-132.6	101.9	175.8	-173.9	-2.6	0	0	0	110.7	Q399 T400 R405 Q498	Q399-D403 PolarHBondContact O-N 3.48Å; T400-D403 CarbonylContact C-O 3.51Å; T400-D403 WeakPolarHBondContact CA-O 3.38Å; T400-D403 CarbonylContact O-C 3.53Å; T400-D403 PolarHBondContact O-N 3.35Å; D403-R405 PolarHBondContact O-N 2.99Å; D403-R405 VanDerWaalsContact O-N 3.09Å; D403-R405 WeakPolarHBondContact OD1-CB 3.46Å; D403-R405 WeakPolarHBondContact OD1-CG 3.48Å; D403-R405 IonicContact OD1-CZ 3.45Å; D403-R405 PolarHBondContact OD1-N 3.43Å; D403-R405 IonicContact OD1-NE 3.1Å; D403-R405 PolarHBondContact OD1-NE 3.49Å; D403-R405 IonicContact OD1-NH2 3.36Å; D403-R405 IonicContact OD2-CZ 3.25Å; D403-R405 IonicContact OD2-NE 3.62Å; D403-R405 PolarHBondContact OD2-NE 2.86Å; D403-R405 IonicContact OD2-NH2 2.76Å; D403-R405 PolarHBondContact OD2-NH2 2.86Å; D403-Q498 HydrophobicContact CB-CG 3.88Å; D403-Q498 WeakPolarHBondContact OD2-CG 3.45Å; D403-Q498 PolarHBondContact OD2-NE2 3.47Å
404	S	91.2	Very high	92.4	Very high	24 Å²	24	23 Å²	23	17%	0.168	12%	0.115	C	C	.	.			trans	-73.9	4.1	-172	48	0	0	0	0	115.1	D147 T400	D147-S404 VanDerWaalsContact OD1-CB 3.25Å; D147-S404 WeakPolarHBondContact OD1-CB 3.36Å; D147-S404 PolarHBondContact OD1-OG 2.79Å; T400-S404 WeakPolarHBondContact O-CA 3.5Å; T400-S404 PolarHBondContact O-N 3.45Å
405	R	93.8	Very high	92.5	Very high	74 Å²	74	23 Å²	23	28%	0.279	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.6	179.4	-68.9	177.9	-67	-179.7	-0.8	112	A145 V146 D147 D403 F497	A145-R405 HydrophobicContact CB-CB 4.4Å; V146-R405 CarbonylContact O-C 3.58Å; V146-R405 WeakPolarHBondContact O-CA 3.48Å; D147-R405 HydrophobicContact CB-CG 4.04Å; D403-R405 PolarHBondContact O-N 2.99Å; D403-R405 VanDerWaalsContact O-N 3.09Å; D403-R405 WeakPolarHBondContact OD1-CB 3.46Å; D403-R405 WeakPolarHBondContact OD1-CG 3.48Å; D403-R405 IonicContact OD1-CZ 3.45Å; D403-R405 PolarHBondContact OD1-N 3.43Å; D403-R405 IonicContact OD1-NE 3.1Å; D403-R405 PolarHBondContact OD1-NE 3.49Å; D403-R405 IonicContact OD1-NH2 3.36Å; D403-R405 IonicContact OD2-CZ 3.25Å; D403-R405 IonicContact OD2-NE 3.62Å; D403-R405 PolarHBondContact OD2-NE 2.86Å; D403-R405 IonicContact OD2-NH2 2.76Å; D403-R405 PolarHBondContact OD2-NH2 2.86Å; R405-F497 HydrophobicContact CB-CB 3.73Å; R405-F497 HydrophobicContact CB-CD1 4.28Å; R405-F497 HydrophobicContact CB-CG 4.14Å; R405-F497 VanDerWaalsContact O-CB 3.23Å; R405-F497 WeakPolarHBondContact O-CB 3.14Å; R405-F497 PolarHBondContact O-N 3.46Å; R405-F497 VanDerWaalsContact O-N 3.08Å
406	T	94.7	Very high	92.7	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.037	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.2	179.1	67.7	0	0	0	0	111.3	A145 V146 D158 I162 E495	A145-T406 WeakPolarHBondContact CA-O 3.5Å; V146-T406 PolarHBondContact N-O 3.09Å; V146-T406 PolarHBondContact O-N 2.65Å; V146-T406 PolarHBondContact O-OG1 3.02Å; D158-T406 HydrophobicContact CB-CG2 4.15Å; I162-T406 HydrophobicContact CD1-CG2 3.82Å; T406-E495 WeakPolarHBondContact CA-O 3.34Å
407	V	95.3	Very high	92.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.1	176.3	-68.5	0	0	0	0	109.9	L141 A145 T494 E495 F497 K500	L141-V407 HydrophobicContact CD1-CB 4.42Å; L141-V407 HydrophobicContact CD1-CG1 3.97Å; L141-V407 HydrophobicContact CD1-CG2 4.45Å; L141-V407 HydrophobicContact CG-CG1 4.48Å; A145-V407 HydrophobicContact CB-CG1 4.12Å; V407-T494 CarbonylContact O-C 3.59Å; V407-T494 WeakPolarHBondContact O-CA 3.46Å; V407-E495 HydrophobicContact CG2-CB 4.49Å; V407-E495 PolarHBondContact N-O 3.42Å; V407-E495 PolarHBondContact O-N 2.92Å; V407-F497 HydrophobicContact CG1-CB 4.26Å; V407-F497 HydrophobicContact CG1-CD2 3.99Å; V407-K500 HydrophobicContact CG2-CB 4.28Å; V407-K500 HydrophobicContact CG2-CG 3.77Å
408	Y	95.2	Very high	93.1	Very high	64 Å²	64	23.7 Å²	23.7	25%	0.251	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	132	177.7	-63.9	-56.1	0	0	0	112	S413 T475 M488 A489 T494	Y408-S413 PolarHBondContact O-N 3.44Å; Y408-S413 PolarHBondContact O-OG 3.14Å; Y408-T475 HydrophobicContact CD2-CG2 4.17Å; Y408-T475 HydrophobicContact CE2-CG2 3.72Å; Y408-M488 HydrophobicContact CD1-CB 3.95Å; Y408-M488 HydrophobicContact CG-CB 4.05Å; Y408-A489 HydrophobicContact CE1-CB 3.67Å; Y408-A489 WeakPolarHBondContact OH-CB 3.35Å; Y408-T494 HydrophobicContact CD1-CG2 4.3Å; Y408-T494 HydrophobicContact CE1-CG2 4.37Å
409	G	93.8	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-151.6	179.9	0	0	0	0	0	113.8	G411 C412 I493 E495	G409-G411 VanDerWaalsContact C-N 3.27Å; G409-G411 PolarHBondContact O-N 3.45Å; G409-C412 WeakPolarHBondContact O-CB 3.48Å; G409-C412 PolarHBondContact O-N 3.16Å; G409-I493 PolarHBondContact N-O 2.9Å; G409-E495 WeakPolarHBondContact CA-OE2 3.48Å
410	G	90.8	Very high	93.6	Very high	17 Å²	17	24.8 Å²	24.8	18%	0.175	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	28.3	173.4	0	0	0	0	0	114.7	C412 L478	G410-C412 VanDerWaalsContact C-N 3.29Å; G410-C412 PolarHBondContact O-N 3.24Å; G410-L478 WeakPolarHBondContact O-CB 3.22Å; G410-L478 PolarHBondContact O-N 2.87Å
411	G	93.2	Very high	93.9	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-2.2	-177.1	0	0	0	0	0	115	G409 E414 M415	G409-G411 VanDerWaalsContact C-N 3.27Å; G409-G411 PolarHBondContact O-N 3.45Å; G411-E414 WeakPolarHBondContact CA-OE2 3.34Å; G411-M415 WeakPolarHBondContact O-CB 3.23Å; G411-M415 PolarHBondContact O-N 2.89Å
412	C	95.1	Very high	94.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-53	178.9	-179.1	0	0	0	0	111.3	G409 G410 E414 M415 L416 H469 T474 A476 M488	G409-C412 WeakPolarHBondContact O-CB 3.48Å; G409-C412 PolarHBondContact O-N 3.16Å; G410-C412 VanDerWaalsContact C-N 3.29Å; G410-C412 PolarHBondContact O-N 3.24Å; C412-E414 VanDerWaalsContact C-N 3.32Å; C412-E414 PolarHBondContact O-N 2.66Å; C412-M415 PolarHBondContact O-N 2.73Å; C412-L416 WeakPolarHBondContact O-CB 3.43Å; C412-L416 PolarHBondContact O-N 3.04Å; C412-H469 PolarHBondContact O-NE2 3.22Å; C412-T474 PolarHBondContact SG-O 2.83Å; C412-A476 WeakPolarHBondContact CB-O 3.35Å; C412-A476 PolarHBondContact SG-O 2.89Å; C412-M488 HydrophobicContact CB-CG 3.99Å
413	S	95.6	Very high	94.6	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-56.3	-43.7	177.7	-71.7	0	0	0	0	112.6	Y408 L416 M417	Y408-S413 PolarHBondContact O-N 3.44Å; Y408-S413 PolarHBondContact O-OG 3.14Å; S413-L416 PolarHBondContact O-N 2.96Å; S413-M417 WeakPolarHBondContact O-CB 3.47Å; S413-M417 VanDerWaalsContact O-CG 3.28Å; S413-M417 WeakPolarHBondContact O-CG 3.23Å; S413-M417 PolarHBondContact O-N 3.47Å
414	E	95.9	Very high	94.9	Very high	8 Å²	8	23 Å²	23	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-41.6	179.6	-66.8	71.8	-164.6	0	0	112	G411 C412 M417 A418 L446 K500	G411-E414 WeakPolarHBondContact CA-OE2 3.34Å; C412-E414 VanDerWaalsContact C-N 3.32Å; C412-E414 PolarHBondContact O-N 2.66Å; E414-M417 HydrophobicContact CG-CE 4.43Å; E414-M417 PolarHBondContact O-N 2.88Å; E414-A418 VanDerWaalsContact O-CB 3.31Å; E414-A418 WeakPolarHBondContact O-CB 3.27Å; E414-A418 PolarHBondContact O-N 2.87Å; E414-L446 HydrophobicContact CG-CB 4.08Å; E414-L446 HydrophobicContact CG-CD1 3.58Å; E414-L446 HydrophobicContact CG-CG 4.49Å; E414-K500 WeakPolarHBondContact OE1-CD 3.38Å; E414-K500 WeakPolarHBondContact OE1-CE 3.38Å; E414-K500 IonicContact OE1-NZ 2.83Å; E414-K500 PolarHBondContact OE1-NZ 3.49Å; E414-K500 IonicContact OE2-NZ 3.85Å
415	M	96	Very high	95.1	Very high	3 Å²	3	22 Å²	22	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-69.7	-38.8	177.3	-171.1	63.1	67.7	0	0	111.8	G411 C412 A418 H419 R444 P447 V462 L465 R466 H469	G411-M415 WeakPolarHBondContact O-CB 3.23Å; G411-M415 PolarHBondContact O-N 2.89Å; C412-M415 PolarHBondContact O-N 2.73Å; M415-A418 PolarHBondContact O-N 2.7Å; M415-H419 WeakPolarHBondContact O-CB 3.43Å; M415-H419 PolarHBondContact O-N 3.33Å; M415-R444 HydrophobicContact CE-CG 3.89Å; M415-R444 HydrophobicContact SD-CG 3.86Å; M415-P447 HydrophobicContact CE-CG 4.45Å; M415-V462 HydrophobicContact CE-CG1 3.82Å; M415-L465 HydrophobicContact CB-CD2 4.34Å; M415-L465 HydrophobicContact CB-CG 4.44Å; M415-L465 HydrophobicContact CE-CB 4.22Å; M415-L465 HydrophobicContact CE-CD2 3.89Å; M415-L465 HydrophobicContact CE-CG 3.99Å; M415-L465 HydrophobicContact CG-CG 4.19Å; M415-R466 HydrophobicContact CE-CB 4.12Å; M415-R466 HydrophobicContact SD-CB 3.84Å; M415-R466 HydrophobicContact SD-CG 4.18Å; M415-H469 HydrophobicContact CG-CB 3.97Å; M415-H469 WeakPolarHBondContact CG-ND1 3.48Å
416	L	95.8	Very high	95.1	Very high	22 Å²	22	23.6 Å²	23.6	12%	0.115	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-47.8	173.6	-178	149.2	0	0	0	111.1	A140 C412 S413 H419 A420 T474	A140-L416 HydrophobicContact CB-CD2 3.56Å; C412-L416 WeakPolarHBondContact O-CB 3.43Å; C412-L416 PolarHBondContact O-N 3.04Å; S413-L416 PolarHBondContact O-N 2.96Å; L416-H419 PolarHBondContact O-N 3.35Å; L416-A420 PolarHBondContact O-N 3.2Å; L416-T474 HydrophobicContact CD1-CG2 4.11Å
417	M	96.3	Very high	95	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-44.7	174.7	-71.4	-172.7	-68.3	0	0	111.5	A137 L141 S413 E414 H419 A420 V421 L443 L504	A137-M417 HydrophobicContact CB-CB 3.88Å; A137-M417 HydrophobicContact CB-CG 4.01Å; A137-M417 HydrophobicContact CB-SD 4.05Å; A137-M417 WeakPolarHBondContact O-CG 3.49Å; L141-M417 HydrophobicContact CB-CG 4.37Å; L141-M417 HydrophobicContact CB-SD 4.19Å; L141-M417 HydrophobicContact CD1-SD 4.46Å; L141-M417 HydrophobicContact CD2-SD 4.46Å; S413-M417 WeakPolarHBondContact O-CB 3.47Å; S413-M417 VanDerWaalsContact O-CG 3.28Å; S413-M417 WeakPolarHBondContact O-CG 3.23Å; S413-M417 PolarHBondContact O-N 3.47Å; E414-M417 HydrophobicContact CG-CE 4.43Å; E414-M417 PolarHBondContact O-N 2.88Å; M417-H419 VanDerWaalsContact C-N 3.31Å; M417-H419 PolarHBondContact O-N 3.33Å; M417-A420 PolarHBondContact O-N 2.91Å; M417-V421 VanDerWaalsContact O-CG2 3.31Å; M417-V421 WeakPolarHBondContact O-CG2 3.39Å; M417-V421 PolarHBondContact O-N 3.07Å; M417-L443 HydrophobicContact CB-CD1 3.82Å; M417-L443 HydrophobicContact CE-CD2 4.18Å; M417-L504 HydrophobicContact SD-CD1 3.98Å; M417-L504 HydrophobicContact SD-CD2 3.9Å; M417-L504 HydrophobicContact SD-CG 4.38Å
418	A	96.4	Very high	94.9	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-38.5	178	0	0	0	0	0	112.3	E414 M415 T422 A440 L443 R444	E414-A418 VanDerWaalsContact O-CB 3.31Å; E414-A418 WeakPolarHBondContact O-CB 3.27Å; E414-A418 PolarHBondContact O-N 2.87Å; M415-A418 PolarHBondContact O-N 2.7Å; A418-T422 WeakPolarHBondContact O-CB 3.48Å; A418-T422 PolarHBondContact O-N 3.24Å; A418-T422 PolarHBondContact O-OG1 2.92Å; A418-A440 HydrophobicContact CB-CB 4.32Å; A418-A440 WeakPolarHBondContact O-CB 3.49Å; A418-L443 HydrophobicContact CB-CB 3.97Å; A418-L443 HydrophobicContact CB-CD1 4.34Å; A418-R444 HydrophobicContact CB-CG 3.83Å
419	H	95.8	Very high	94.7	Very high	55 Å²	55	36.7 Å²	36.7	26%	0.255	19%	0.194	S	C	.	.	H	α-helix	trans	-63.8	-49.2	175.5	-173.6	82.5	0	0	0	110.9	M415 L416 M417 V421 T422 Q423	M415-H419 WeakPolarHBondContact O-CB 3.43Å; M415-H419 PolarHBondContact O-N 3.33Å; L416-H419 PolarHBondContact O-N 3.35Å; M417-H419 VanDerWaalsContact C-N 3.31Å; M417-H419 PolarHBondContact O-N 3.33Å; H419-V421 VanDerWaalsContact C-N 3.34Å; H419-V421 PolarHBondContact O-N 3.17Å; H419-T422 WeakPolarHBondContact O-CB 3.37Å; H419-T422 PolarHBondContact O-N 3.24Å; H419-T422 VanDerWaalsContact O-N 3.14Å; H419-Q423 PolarHBondContact CE1-NE2 2.87Å; H419-Q423 VanDerWaalsContact CE1-NE2 3.29Å; H419-Q423 PolarHBondContact NE2-NE2 3.17Å; H419-Q423 WeakPolarHBondContact O-CG 3.49Å; H419-Q423 PolarHBondContact O-N 3.22Å
420	A	95.6	Very high	94.5	Very high	29 Å²	29	39.4 Å²	39.4	24%	0.24	22%	0.222	C	C	.	.	H	α-helix	trans	-58.3	-44.6	178.3	0	0	0	0	0	112.4	A140 L416 M417 T422 Q423 L424	A140-A420 HydrophobicContact CB-CB 3.55Å; L416-A420 PolarHBondContact O-N 3.2Å; M417-A420 PolarHBondContact O-N 2.91Å; A420-T422 PolarHBondContact O-N 3.4Å; A420-Q423 PolarHBondContact O-N 2.89Å; A420-L424 PolarHBondContact O-N 2.87Å; A420-L424 VanDerWaalsContact O-N 3.08Å
421	V	96.6	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-40.6	176.1	173.8	0	0	0	0	111.5	A133 A137 M417 H419 Q423 L424 A425 M436 Y439 A440	A133-V421 HydrophobicContact CB-CG1 3.66Å; A133-V421 HydrophobicContact CB-CG2 4.13Å; A133-V421 WeakPolarHBondContact O-CG2 3.13Å; A137-V421 HydrophobicContact CB-CG2 3.95Å; M417-V421 VanDerWaalsContact O-CG2 3.31Å; M417-V421 WeakPolarHBondContact O-CG2 3.39Å; M417-V421 PolarHBondContact O-N 3.07Å; H419-V421 VanDerWaalsContact C-N 3.34Å; H419-V421 PolarHBondContact O-N 3.17Å; V421-Q423 PolarHBondContact O-N 2.95Å; V421-L424 PolarHBondContact O-N 2.81Å; V421-A425 WeakPolarHBondContact O-CB 3.3Å; V421-A425 PolarHBondContact O-N 3.23Å; V421-M436 HydrophobicContact CG1-CB 4.17Å; V421-M436 WeakPolarHBondContact CG1-O 3.44Å; V421-Y439 HydrophobicContact CG1-CD1 4.36Å; V421-Y439 HydrophobicContact CG2-CD1 4.25Å; V421-A440 HydrophobicContact CB-CB 4.16Å; V421-A440 HydrophobicContact CG1-CB 3.94Å
422	T	95.7	Very high	94.6	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.239	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-40.6	177.6	-56.1	0	0	0	0	111.4	A418 H419 A420 L424 A425 N426 A440	A418-T422 WeakPolarHBondContact O-CB 3.48Å; A418-T422 PolarHBondContact O-N 3.24Å; A418-T422 PolarHBondContact O-OG1 2.92Å; H419-T422 WeakPolarHBondContact O-CB 3.37Å; H419-T422 PolarHBondContact O-N 3.24Å; H419-T422 VanDerWaalsContact O-N 3.14Å; A420-T422 PolarHBondContact O-N 3.4Å; T422-L424 VanDerWaalsContact C-N 3.33Å; T422-L424 PolarHBondContact O-N 2.82Å; T422-A425 WeakPolarHBondContact O-CB 3.28Å; T422-A425 PolarHBondContact O-N 3.22Å; T422-N426 PolarHBondContact O-N 2.78Å; T422-N426 PolarHBondContact O-ND2 3.45Å; T422-A440 WeakPolarHBondContact OG1-CB 3.23Å
423	Q	94.9	Very high	94.5	Very high	73 Å²	73	48.6 Å²	48.6	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-37.6	176.1	-66.1	-61.1	-13.3	0	0	112.3	H419 A420 V421 R427	H419-Q423 PolarHBondContact CE1-NE2 2.87Å; H419-Q423 VanDerWaalsContact CE1-NE2 3.29Å; H419-Q423 PolarHBondContact NE2-NE2 3.17Å; H419-Q423 WeakPolarHBondContact O-CG 3.49Å; H419-Q423 PolarHBondContact O-N 3.22Å; A420-Q423 PolarHBondContact O-N 2.89Å; V421-Q423 PolarHBondContact O-N 2.95Å; Q423-R427 WeakPolarHBondContact O-CG 3.5Å
424	L	94.8	Very high	94.5	Very high	54 Å²	54	51 Å²	51	28%	0.283	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-41.8	173.8	-177	64	0	0	0	111.5	A136 A420 V421 T422 N426 R427 T428 M436	A136-L424 HydrophobicContact CB-CD2 3.73Å; A420-L424 PolarHBondContact O-N 2.87Å; A420-L424 VanDerWaalsContact O-N 3.08Å; V421-L424 PolarHBondContact O-N 2.81Å; T422-L424 VanDerWaalsContact C-N 3.33Å; T422-L424 PolarHBondContact O-N 2.82Å; L424-N426 VanDerWaalsContact C-N 3.33Å; L424-N426 PolarHBondContact O-N 3.01Å; L424-R427 PolarHBondContact O-N 2.96Å; L424-R427 VanDerWaalsContact O-N 3.11Å; L424-T428 PolarHBondContact O-N 2.84Å; L424-T428 VanDerWaalsContact O-N 3.08Å; L424-T428 PolarHBondContact O-OG1 2.87Å; L424-M436 HydrophobicContact CD2-CE 4.04Å; L424-M436 HydrophobicContact CD2-SD 4.3Å; L424-M436 HydrophobicContact CG-CE 4.27Å; L424-M436 HydrophobicContact CG-SD 4.11Å
425	A	95.2	Very high	94.4	Very high	3 Å²	3	50.6 Å²	50.6	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-44.5	177.2	0	0	0	0	0	111.6	V421 T422 R427 T428 M436 E437	V421-A425 WeakPolarHBondContact O-CB 3.3Å; V421-A425 PolarHBondContact O-N 3.23Å; T422-A425 WeakPolarHBondContact O-CB 3.28Å; T422-A425 PolarHBondContact O-N 3.22Å; A425-R427 PolarHBondContact O-N 2.85Å; A425-R427 VanDerWaalsContact O-N 3.17Å; A425-T428 PolarHBondContact O-N 3.49Å; A425-T428 VanDerWaalsContact O-N 3.13Å; A425-M436 HydrophobicContact CB-CB 3.69Å; A425-M436 HydrophobicContact CB-SD 4.39Å; A425-E437 HydrophobicContact CB-CG 3.93Å
426	N	94.1	Very high	94.4	Very high	106 Å²	106	50.6 Å²	50.6	57%	0.567	27%	0.272	S	S	*	.	H	α-helix	trans	-60.3	-26.3	177.8	-70.9	-24.3	0	0	0	113.9	T422 L424	T422-N426 PolarHBondContact O-N 2.78Å; T422-N426 PolarHBondContact O-ND2 3.45Å; L424-N426 VanDerWaalsContact C-N 3.33Å; L424-N426 PolarHBondContact O-N 3.01Å
427	R	94	Very high	94.4	Very high	202 Å²	202	53.2 Å²	53.2	76%	0.762	28%	0.284	S	S	*	.	H	α-helix	trans	-93.2	-18.8	-179.9	-65	175.7	-176.4	-179.8	1.9	112.9	Q423 L424 A425	Q423-R427 WeakPolarHBondContact O-CG 3.5Å; L424-R427 PolarHBondContact O-N 2.96Å; L424-R427 VanDerWaalsContact O-N 3.11Å; A425-R427 PolarHBondContact O-N 2.85Å; A425-R427 VanDerWaalsContact O-N 3.17Å
428	T	92.6	Very high	94.4	Very high	32 Å²	32	53.1 Å²	53.1	20%	0.196	28%	0.284	C	S	.	.	S	Bend	trans	-90.2	125.5	-174.7	-56.5	0	0	0	0	109.4	L424 A425 E432 A433 M436	L424-T428 PolarHBondContact O-N 2.84Å; L424-T428 VanDerWaalsContact O-N 3.08Å; L424-T428 PolarHBondContact O-OG1 2.87Å; A425-T428 PolarHBondContact O-N 3.49Å; A425-T428 VanDerWaalsContact O-N 3.13Å; T428-E432 HydrophobicContact CG2-CB 4.47Å; T428-A433 VanDerWaalsContact O-CB 3.24Å; T428-A433 WeakPolarHBondContact O-CB 3.46Å; T428-M436 HydrophobicContact CG2-CE 4.04Å; T428-M436 HydrophobicContact CG2-SD 4.21Å
429	P	89.9	Confident	94.4	Very high	113 Å²	113	53 Å²	53	73%	0.734	28%	0.283	S	S	*	.			trans	-81.1	148.9	175.7	31.2	-33.3	0	0	0	111.9
430	G	90.8	Very high	94.5	Very high	57 Å²	57	50.4 Å²	50.4	59%	0.588	27%	0.271	S	S	*	.	S	Bend	trans	95.8	-164.6	166.5	0	0	0	0	0	115.4	E432 A433	G430-E432 PolarHBondContact O-N 2.87Å; G430-A433 WeakPolarHBondContact O-CB 3.4Å; G430-A433 PolarHBondContact O-N 2.81Å
431	K	92.2	Very high	94.5	Very high	126 Å²	126	52.9 Å²	52.9	55%	0.548	28%	0.276	S	S	.	.	H	α-helix	trans	-68.5	-23.6	-173.8	-66.3	-177.5	-178.4	-178.3	0	113.2	I121 T125 A433 V434 A435	I121-K431 HydrophobicContact CG2-CB 4.47Å; T125-K431 HydrophobicContact CG2-CB 3.86Å; K431-A433 VanDerWaalsContact C-N 3.29Å; K431-A433 PolarHBondContact O-N 3.39Å; K431-V434 PolarHBondContact O-N 2.85Å; K431-A435 PolarHBondContact O-N 2.7Å
432	E	93	Very high	94.5	Very high	77 Å²	77	52.9 Å²	52.9	36%	0.36	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-34.4	177.3	-65.5	179.2	173.3	0	0	111.5	T125 T428 G430 V434 A435 M436	T125-E432 HydrophobicContact CG2-CG 3.91Å; T428-E432 HydrophobicContact CG2-CB 4.47Å; G430-E432 PolarHBondContact O-N 2.87Å; E432-V434 VanDerWaalsContact C-N 3.31Å; E432-V434 PolarHBondContact O-N 3.38Å; E432-A435 WeakPolarHBondContact O-CB 3.49Å; E432-A435 PolarHBondContact O-N 3.16Å; E432-A435 VanDerWaalsContact O-N 3.09Å; E432-M436 WeakPolarHBondContact O-CG 3.21Å; E432-M436 PolarHBondContact O-N 3.42Å
433	A	94.3	Very high	94.6	Very high	11 Å²	11	51 Å²	51	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-42.1	175.4	0	0	0	0	0	112.2	T428 G430 K431 A435 M436 E437	T428-A433 VanDerWaalsContact O-CB 3.24Å; T428-A433 WeakPolarHBondContact O-CB 3.46Å; G430-A433 WeakPolarHBondContact O-CB 3.4Å; G430-A433 PolarHBondContact O-N 2.81Å; K431-A433 VanDerWaalsContact C-N 3.29Å; K431-A433 PolarHBondContact O-N 3.39Å; A433-A435 VanDerWaalsContact C-N 3.27Å; A433-A435 PolarHBondContact O-N 3.16Å; A433-M436 WeakPolarHBondContact O-CB 3.5Å; A433-M436 PolarHBondContact O-N 3.15Å; A433-E437 WeakPolarHBondContact O-CG 3.42Å; A433-E437 PolarHBondContact O-N 2.99Å
434	V	94.6	Very high	94.6	Very high	53 Å²	53	49.9 Å²	49.9	32%	0.321	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-34.6	177.6	-171.9	0	0	0	0	111.1	L116 I121 K431 E432 S438	L116-V434 HydrophobicContact CD2-CG1 3.7Å; I121-V434 HydrophobicContact CD1-CB 4.35Å; I121-V434 HydrophobicContact CD1-CG1 4.2Å; K431-V434 PolarHBondContact O-N 2.85Å; E432-V434 VanDerWaalsContact C-N 3.31Å; E432-V434 PolarHBondContact O-N 3.38Å; V434-S438 PolarHBondContact O-N 3.44Å; V434-S438 VanDerWaalsContact O-N 3.12Å
435	A	94.8	Very high	94.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71	-37.5	174.2	0	0	0	0	0	112.2	L116 I126 W130 K431 E432 A433 S438 Y439	L116-A435 HydrophobicContact CD1-CB 4.14Å; I126-A435 HydrophobicContact CB-CB 4.44Å; I126-A435 HydrophobicContact CG2-CB 4.27Å; W130-A435 PolarHBondContact NE1-O 2.98Å; W130-A435 VanDerWaalsContact NE1-O 3.15Å; K431-A435 PolarHBondContact O-N 2.7Å; E432-A435 WeakPolarHBondContact O-CB 3.49Å; E432-A435 PolarHBondContact O-N 3.16Å; E432-A435 VanDerWaalsContact O-N 3.09Å; A433-A435 VanDerWaalsContact C-N 3.27Å; A433-A435 PolarHBondContact O-N 3.16Å; A435-S438 PolarHBondContact O-N 2.86Å; A435-S438 PolarHBondContact O-OG 3.15Å; A435-Y439 PolarHBondContact O-N 2.82Å
436	M	96.1	Very high	94.7	Very high	3 Å²	3	50 Å²	50	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-42.9	172.7	-66.4	170.3	173.8	0	0	111.6	G129 E132 A133 V421 L424 A425 T428 E432 A433 S438 Y439 A440	G129-M436 WeakPolarHBondContact O-CG 3.39Å; E132-M436 HydrophobicContact CB-CE 3.46Å; E132-M436 VanDerWaalsContact CB-CE 3.46Å; E132-M436 HydrophobicContact CG-CE 4.29Å; A133-M436 HydrophobicContact CB-CG 4.26Å; V421-M436 HydrophobicContact CG1-CB 4.17Å; V421-M436 WeakPolarHBondContact CG1-O 3.44Å; L424-M436 HydrophobicContact CD2-CE 4.04Å; L424-M436 HydrophobicContact CD2-SD 4.3Å; L424-M436 HydrophobicContact CG-CE 4.27Å; L424-M436 HydrophobicContact CG-SD 4.11Å; A425-M436 HydrophobicContact CB-CB 3.69Å; A425-M436 HydrophobicContact CB-SD 4.39Å; T428-M436 HydrophobicContact CG2-CE 4.04Å; T428-M436 HydrophobicContact CG2-SD 4.21Å; E432-M436 WeakPolarHBondContact O-CG 3.21Å; E432-M436 PolarHBondContact O-N 3.42Å; A433-M436 WeakPolarHBondContact O-CB 3.5Å; A433-M436 PolarHBondContact O-N 3.15Å; M436-S438 VanDerWaalsContact C-N 3.27Å; M436-S438 PolarHBondContact O-N 2.87Å; M436-Y439 WeakPolarHBondContact O-CB 3.3Å; M436-Y439 PolarHBondContact O-N 3Å; M436-Y439 VanDerWaalsContact O-N 3.15Å; M436-A440 PolarHBondContact O-N 2.9Å
437	E	95.7	Very high	94.8	Very high	78 Å²	78	44.9 Å²	44.9	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-59.4	-38.9	174.4	-74.4	-179.9	-173.2	0	0	112.2	A425 A433 A440 K441	A425-E437 HydrophobicContact CB-CG 3.93Å; A433-E437 WeakPolarHBondContact O-CG 3.42Å; A433-E437 PolarHBondContact O-N 2.99Å; E437-A440 PolarHBondContact O-N 3.18Å; E437-K441 WeakPolarHBondContact O-CG 3.33Å; E437-K441 PolarHBondContact O-N 3.28Å
438	S	96	Very high	94.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-38.7	176.6	97	0	0	0	0	111.4	L116 W130 V434 A435 M436 A440 K441 A442	L116-S438 WeakPolarHBondContact CD1-OG 3.49Å; W130-S438 PolarHBondContact NE1-OG 3.38Å; W130-S438 VanDerWaalsContact NE1-OG 3.16Å; V434-S438 PolarHBondContact O-N 3.44Å; V434-S438 VanDerWaalsContact O-N 3.12Å; A435-S438 PolarHBondContact O-N 2.86Å; A435-S438 PolarHBondContact O-OG 3.15Å; M436-S438 VanDerWaalsContact C-N 3.27Å; M436-S438 PolarHBondContact O-N 2.87Å; S438-A440 PolarHBondContact O-N 3.07Å; S438-K441 WeakPolarHBondContact O-CB 3.23Å; S438-K441 PolarHBondContact O-N 3.1Å; S438-K441 VanDerWaalsContact O-N 3.15Å; S438-A442 PolarHBondContact O-N 3.1Å
439	Y	96.8	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-44.3	174	-163.8	-85.4	0	0	0	111.5	L109 W130 A133 T134 A137 V421 A435 M436 K441 A442 L443 L504	L109-Y439 HydrophobicContact CD1-CD2 4.47Å; L109-Y439 HydrophobicContact CD1-CE2 3.92Å; L109-Y439 HydrophobicContact CD2-CD2 3.28Å; L109-Y439 HydrophobicContact CD2-CE2 3.58Å; L109-Y439 HydrophobicContact CD2-CG 3.93Å; L109-Y439 HydrophobicContact CG-CE2 4.43Å; W130-Y439 HydrophobicContact CB-CD2 4.05Å; W130-Y439 HydrophobicContact CB-CE2 4.45Å; W130-Y439 AromaticContact CD1-CD2 3.72Å; W130-Y439 HydrophobicContact CD2-CD2 4.28Å; W130-Y439 AromaticContact CG-CD2 3.77Å; W130-Y439 HydrophobicContact CG-CD2 3.77Å; A133-Y439 HydrophobicContact CB-CD1 3.71Å; A133-Y439 HydrophobicContact CB-CD2 4.2Å; A133-Y439 HydrophobicContact CB-CE1 4.3Å; A133-Y439 HydrophobicContact CB-CG 3.65Å; T134-Y439 PolarHBondContact OG1-OH 3.25Å; A137-Y439 HydrophobicContact CB-CE1 4.48Å; V421-Y439 HydrophobicContact CG1-CD1 4.36Å; V421-Y439 HydrophobicContact CG2-CD1 4.25Å; A435-Y439 PolarHBondContact O-N 2.82Å; M436-Y439 WeakPolarHBondContact O-CB 3.3Å; M436-Y439 PolarHBondContact O-N 3Å; M436-Y439 VanDerWaalsContact O-N 3.15Å; Y439-K441 VanDerWaalsContact C-N 3.27Å; Y439-K441 PolarHBondContact O-N 2.98Å; Y439-A442 PolarHBondContact O-N 3.26Å; Y439-L443 HydrophobicContact CD1-CD1 3.85Å; Y439-L443 HydrophobicContact CD1-CG 4.24Å; Y439-L443 HydrophobicContact CE1-CD1 3.78Å; Y439-L443 HydrophobicContact CE1-CG 4.12Å; Y439-L443 PolarHBondContact O-N 2.83Å; Y439-L504 HydrophobicContact CE1-CD1 4.14Å; Y439-L504 WeakPolarHBondContact OH-CD1 3.14Å
440	A	96.5	Very high	95.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-27.6	175	0	0	0	0	0	113.3	A418 V421 T422 M436 E437 S438 R444	A418-A440 HydrophobicContact CB-CB 4.32Å; A418-A440 WeakPolarHBondContact O-CB 3.49Å; V421-A440 HydrophobicContact CB-CB 4.16Å; V421-A440 HydrophobicContact CG1-CB 3.94Å; T422-A440 WeakPolarHBondContact OG1-CB 3.23Å; M436-A440 PolarHBondContact O-N 2.9Å; E437-A440 PolarHBondContact O-N 3.18Å; S438-A440 PolarHBondContact O-N 3.07Å; A440-R444 WeakPolarHBondContact O-CG 3.35Å; A440-R444 PolarHBondContact O-N 3.33Å; A440-R444 PolarHBondContact O-NE 3.19Å
441	K	96.3	Very high	95.4	Very high	82 Å²	82	28.1 Å²	28.1	36%	0.357	14%	0.135	S	C	.	.	H	α-helix	trans	-71.2	-46.2	171.8	-73	174.6	-174.1	175.1	0	111.3	E112 E437 S438 Y439 L443 R444 M445	E112-K441 HydrophobicContact CG-CB 4.44Å; E437-K441 WeakPolarHBondContact O-CG 3.33Å; E437-K441 PolarHBondContact O-N 3.28Å; S438-K441 WeakPolarHBondContact O-CB 3.23Å; S438-K441 PolarHBondContact O-N 3.1Å; S438-K441 VanDerWaalsContact O-N 3.15Å; Y439-K441 VanDerWaalsContact C-N 3.27Å; Y439-K441 PolarHBondContact O-N 2.98Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.04Å; K441-R444 VanDerWaalsContact CG-NH2 3.29Å; K441-R444 WeakPolarHBondContact O-CA 3.45Å; K441-R444 WeakPolarHBondContact O-CB 3.41Å; K441-R444 PolarHBondContact O-N 2.71Å; K441-M445 PolarHBondContact O-N 3.31Å; K441-M445 VanDerWaalsContact O-N 3.12Å
442	A	96.8	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-41.6	177.3	0	0	0	0	0	112.1	E108 L109 E112 S438 Y439 R444 M445	E108-A442 HydrophobicContact CB-CB 4.19Å; L109-A442 HydrophobicContact CD2-CB 3.59Å; L109-A442 HydrophobicContact CG-CB 3.9Å; E112-A442 HydrophobicContact CG-CB 4.41Å; S438-A442 PolarHBondContact O-N 3.1Å; Y439-A442 PolarHBondContact O-N 3.26Å; A442-R444 VanDerWaalsContact C-N 3.31Å; A442-R444 PolarHBondContact O-N 3.36Å; A442-M445 WeakPolarHBondContact O-CB 3.41Å; A442-M445 PolarHBondContact O-N 3.03Å; A442-M445 VanDerWaalsContact O-N 3.12Å
443	L	96.6	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-39.6	173.3	-76.1	172.1	0	0	0	112.7	L105 M417 A418 Y439 K441 M445 L446 P447 L504	L105-L443 HydrophobicContact CD1-CD2 3.96Å; L105-L443 HydrophobicContact CD1-CG 4.48Å; L105-L443 HydrophobicContact CD2-CD2 4.14Å; M417-L443 HydrophobicContact CB-CD1 3.82Å; M417-L443 HydrophobicContact CE-CD2 4.18Å; A418-L443 HydrophobicContact CB-CB 3.97Å; A418-L443 HydrophobicContact CB-CD1 4.34Å; Y439-L443 HydrophobicContact CD1-CD1 3.85Å; Y439-L443 HydrophobicContact CD1-CG 4.24Å; Y439-L443 HydrophobicContact CE1-CD1 3.78Å; Y439-L443 HydrophobicContact CE1-CG 4.12Å; Y439-L443 PolarHBondContact O-N 2.83Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.04Å; L443-M445 VanDerWaalsContact C-N 3.25Å; L443-M445 PolarHBondContact O-N 3.25Å; L443-L446 PolarHBondContact O-N 3.35Å; L443-P447 WeakPolarHBondContact O-CD 3.47Å; L443-L504 HydrophobicContact CD2-CD1 4.2Å
444	R	96.2	Very high	95.6	Very high	49 Å²	49	24.8 Å²	24.8	19%	0.185	13%	0.126	C	C	.	.	H	α-helix	trans	-70.2	-19.7	177.2	-76.2	178.4	-80.2	140.3	-13.3	113.5	M415 A418 A440 K441 A442 L446 P447 T448	M415-R444 HydrophobicContact CE-CG 3.89Å; M415-R444 HydrophobicContact SD-CG 3.86Å; A418-R444 HydrophobicContact CB-CG 3.83Å; A440-R444 WeakPolarHBondContact O-CG 3.35Å; A440-R444 PolarHBondContact O-N 3.33Å; A440-R444 PolarHBondContact O-NE 3.19Å; K441-R444 VanDerWaalsContact CG-NH2 3.29Å; K441-R444 WeakPolarHBondContact O-CA 3.45Å; K441-R444 WeakPolarHBondContact O-CB 3.41Å; K441-R444 PolarHBondContact O-N 2.71Å; A442-R444 VanDerWaalsContact C-N 3.31Å; A442-R444 PolarHBondContact O-N 3.36Å; R444-L446 VanDerWaalsContact C-N 3.27Å; R444-L446 PolarHBondContact O-N 3.1Å; R444-P447 VanDerWaalsContact O-CD 3.25Å; R444-P447 WeakPolarHBondContact O-CD 3.5Å; R444-P447 VanDerWaalsContact O-CG 3.26Å; R444-P447 WeakPolarHBondContact O-CG 3.36Å; R444-T448 PolarHBondContact O-N 3.18Å; R444-T448 PolarHBondContact O-OG1 2.81Å
445	M	95.9	Very high	95.5	Very high	53 Å²	53	25.5 Å²	25.5	26%	0.261	14%	0.144	S	C	.	.	H	α-helix	trans	-68.6	-25.7	176.6	-70	-54.5	-55.7	0	0	112.8	E108 K441 A442 L443 T448 I449	E108-M445 HydrophobicContact CB-CB 4.28Å; E108-M445 HydrophobicContact CG-CB 3.84Å; E108-M445 HydrophobicContact CG-CG 4.3Å; K441-M445 PolarHBondContact O-N 3.31Å; K441-M445 VanDerWaalsContact O-N 3.12Å; A442-M445 WeakPolarHBondContact O-CB 3.41Å; A442-M445 PolarHBondContact O-N 3.03Å; A442-M445 VanDerWaalsContact O-N 3.12Å; L443-M445 VanDerWaalsContact C-N 3.25Å; L443-M445 PolarHBondContact O-N 3.25Å; M445-T448 HydrophobicContact CE-CG2 3.98Å; M445-T448 WeakPolarHBondContact O-CB 3.28Å; M445-T448 PolarHBondContact O-N 2.76Å; M445-I449 HydrophobicContact CB-CD1 4.44Å; M445-I449 VanDerWaalsContact O-CD1 3.31Å; M445-I449 WeakPolarHBondContact O-CD1 3.39Å; M445-I449 WeakPolarHBondContact O-CG1 3.44Å; M445-I449 PolarHBondContact O-N 3.18Å
446	L	95.8	Very high	95.4	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-55.9	175.8	-71.7	173.8	0	0	0	112.5	L43 V104 L105 E414 L443 R444 T448 I449 I450	L43-L446 HydrophobicContact CD2-CD2 3.88Å; V104-L446 HydrophobicContact CB-CD2 4.13Å; V104-L446 HydrophobicContact CG1-CD2 3.77Å; L105-L446 HydrophobicContact CB-CD1 4.23Å; L105-L446 HydrophobicContact CB-CD2 4.47Å; L105-L446 HydrophobicContact CD1-CD1 4.19Å; L105-L446 HydrophobicContact CD2-CD1 4.36Å; L105-L446 HydrophobicContact CG-CD1 4.49Å; E414-L446 HydrophobicContact CG-CB 4.08Å; E414-L446 HydrophobicContact CG-CD1 3.58Å; E414-L446 HydrophobicContact CG-CG 4.49Å; L443-L446 PolarHBondContact O-N 3.35Å; R444-L446 VanDerWaalsContact C-N 3.27Å; R444-L446 PolarHBondContact O-N 3.1Å; L446-T448 VanDerWaalsContact C-N 3.26Å; L446-T448 PolarHBondContact O-N 3.18Å; L446-I449 PolarHBondContact O-N 3.45Å; L446-I450 WeakPolarHBondContact O-CG1 3.36Å; L446-I450 PolarHBondContact O-N 2.83Å
447	P	95.7	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-31.7	173.6	18.6	-27.6	0	0	0	113.1	M415 L443 R444 I450 A451 V462 L465 L478	M415-P447 HydrophobicContact CE-CG 4.45Å; L443-P447 WeakPolarHBondContact O-CD 3.47Å; R444-P447 VanDerWaalsContact O-CD 3.25Å; R444-P447 WeakPolarHBondContact O-CD 3.5Å; R444-P447 VanDerWaalsContact O-CG 3.26Å; R444-P447 WeakPolarHBondContact O-CG 3.36Å; P447-I450 PolarHBondContact O-N 3.2Å; P447-A451 PolarHBondContact O-N 2.89Å; P447-V462 HydrophobicContact CB-CG2 4.23Å; P447-L465 HydrophobicContact CB-CD2 4.36Å; P447-L478 HydrophobicContact CB-CD1 3.58Å; P447-L478 HydrophobicContact CB-CG 4.45Å; P447-L478 WeakPolarHBondContact O-CD1 3.38Å
448	T	96.3	Very high	95.2	Very high	22 Å²	22	30.7 Å²	30.7	14%	0.135	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-49.6	173.4	-58.5	0	0	0	0	111.2	R444 M445 L446 I450 A451 D452 S458	R444-T448 PolarHBondContact O-N 3.18Å; R444-T448 PolarHBondContact O-OG1 2.81Å; M445-T448 HydrophobicContact CE-CG2 3.98Å; M445-T448 WeakPolarHBondContact O-CB 3.28Å; M445-T448 PolarHBondContact O-N 2.76Å; L446-T448 VanDerWaalsContact C-N 3.26Å; L446-T448 PolarHBondContact O-N 3.18Å; T448-I450 VanDerWaalsContact C-N 3.33Å; T448-I450 PolarHBondContact O-N 2.84Å; T448-A451 PolarHBondContact O-N 2.92Å; T448-D452 VanDerWaalsContact O-CG 3.32Å; T448-D452 PolarHBondContact O-N 2.84Å; T448-S458 WeakPolarHBondContact O-CB 3.15Å
449	I	95.6	Very high	95.1	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-36.7	-178.9	-66.2	158.9	0	0	0	111.2	K40 L43 V104 E108 M445 L446 A451 D452 N453	K40-I449 HydrophobicContact CB-CG2 4.12Å; K40-I449 HydrophobicContact CD-CD1 3.89Å; K40-I449 HydrophobicContact CD-CG1 4.24Å; K40-I449 HydrophobicContact CG-CD1 4.03Å; K40-I449 HydrophobicContact CG-CG2 4.18Å; L43-I449 HydrophobicContact CB-CG2 4.29Å; L43-I449 HydrophobicContact CD2-CB 4.29Å; L43-I449 HydrophobicContact CD2-CG2 4.01Å; V104-I449 HydrophobicContact CG1-CD1 3.34Å; E108-I449 HydrophobicContact CG-CD1 4.43Å; M445-I449 HydrophobicContact CB-CD1 4.44Å; M445-I449 VanDerWaalsContact O-CD1 3.31Å; M445-I449 WeakPolarHBondContact O-CD1 3.39Å; M445-I449 WeakPolarHBondContact O-CG1 3.44Å; M445-I449 PolarHBondContact O-N 3.18Å; L446-I449 PolarHBondContact O-N 3.45Å; I449-A451 VanDerWaalsContact C-N 3.34Å; I449-A451 PolarHBondContact O-N 3.45Å; I449-D452 PolarHBondContact O-N 2.96Å; I449-N453 WeakPolarHBondContact O-CB 3.16Å; I449-N453 VanDerWaalsContact O-CG 3.3Å; I449-N453 PolarHBondContact O-N 3.12Å; I449-N453 PolarHBondContact O-ND2 3.24Å
450	I	94.4	Very high	95	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.128	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-44.6	174	-68.5	168.8	0	0	0	110.7	L43 L446 P447 T448 A454 M480	L43-I450 HydrophobicContact CD2-CG1 4.06Å; L43-I450 HydrophobicContact CG-CG1 3.95Å; L446-I450 WeakPolarHBondContact O-CG1 3.36Å; L446-I450 PolarHBondContact O-N 2.83Å; P447-I450 PolarHBondContact O-N 3.2Å; T448-I450 VanDerWaalsContact C-N 3.33Å; T448-I450 PolarHBondContact O-N 2.84Å; I450-A454 WeakPolarHBondContact O-CB 3.47Å; I450-A454 PolarHBondContact O-N 3.1Å; I450-M480 HydrophobicContact CG2-CG 3.98Å; I450-M480 HydrophobicContact CG2-SD 3.77Å
451	A	95	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-37.6	177.4	0	0	0	0	0	112.8	P447 T448 I449 A454 G455 Y456 L461 L478	P447-A451 PolarHBondContact O-N 2.89Å; T448-A451 PolarHBondContact O-N 2.92Å; I449-A451 VanDerWaalsContact C-N 3.34Å; I449-A451 PolarHBondContact O-N 3.45Å; A451-A454 WeakPolarHBondContact O-CB 3.38Å; A451-A454 PolarHBondContact O-N 3.45Å; A451-G455 PolarHBondContact O-N 3.07Å; A451-Y456 PolarHBondContact O-N 3.22Å; A451-L461 HydrophobicContact CB-CD1 4.31Å; A451-L478 HydrophobicContact CB-CD1 4.38Å
452	D	95.2	Very high	94.8	Very high	80 Å²	80	34.9 Å²	34.9	43%	0.428	21%	0.207	S	C	.	.	H	α-helix	trans	-61.7	-47.4	175.8	-74.8	-27.2	0	0	0	111.3	T448 I449 A454 G455 S458	T448-D452 VanDerWaalsContact O-CG 3.32Å; T448-D452 PolarHBondContact O-N 2.84Å; I449-D452 PolarHBondContact O-N 2.96Å; D452-A454 PolarHBondContact O-N 3.05Å; D452-G455 PolarHBondContact O-N 2.9Å; D452-S458 WeakPolarHBondContact OD1-CB 3.41Å; D452-S458 PolarHBondContact OD1-OG 3.36Å
453	N	94.1	Very high	94.6	Very high	48 Å²	48	36.9 Å²	36.9	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-29.1	177.3	-70.8	-22.3	0	0	0	112	K40 L43 I449 G455	K40-N453 PolarHBondContact O-ND2 3.09Å; L43-N453 PolarHBondContact O-ND2 3.17Å; I449-N453 WeakPolarHBondContact O-CB 3.16Å; I449-N453 VanDerWaalsContact O-CG 3.3Å; I449-N453 PolarHBondContact O-N 3.12Å; I449-N453 PolarHBondContact O-ND2 3.24Å; N453-G455 VanDerWaalsContact C-N 3.27Å; N453-G455 PolarHBondContact O-N 3.19Å
454	A	92.4	Very high	94.5	Very high	16 Å²	16	41 Å²	41	13%	0.132	24%	0.243	C	C	.	.	H	α-helix	trans	-75.6	-13.5	174.4	0	0	0	0	0	114	K46 I450 A451 D452 Y456 M480	K46-A454 HydrophobicContact CB-CB 4.25Å; K46-A454 HydrophobicContact CD-CB 3.76Å; K46-A454 HydrophobicContact CG-CB 4.45Å; I450-A454 WeakPolarHBondContact O-CB 3.47Å; I450-A454 PolarHBondContact O-N 3.1Å; A451-A454 WeakPolarHBondContact O-CB 3.38Å; A451-A454 PolarHBondContact O-N 3.45Å; D452-A454 PolarHBondContact O-N 3.05Å; A454-Y456 HydrophobicContact CB-CD2 3.52Å; A454-Y456 HydrophobicContact CB-CE2 3.74Å; A454-M480 HydrophobicContact CB-SD 3.69Å
455	G	93.1	Very high	94.4	Very high	67 Å²	67	38.7 Å²	38.7	69%	0.691	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	16.6	179.9	0	0	0	0	0	114.8	A451 D452 N453	A451-G455 PolarHBondContact O-N 3.07Å; D452-G455 PolarHBondContact O-N 2.9Å; N453-G455 VanDerWaalsContact C-N 3.27Å; N453-G455 PolarHBondContact O-N 3.19Å
456	Y	93	Very high	94.3	Very high	69 Å²	69	42.3 Å²	42.3	27%	0.271	25%	0.245	S	C	.	.	S	Bend	trans	-92.7	169	176.3	-61.2	-67.1	0	0	0	111.6	K46 A451 A454 S458 L461 M480 R481 G483	K46-Y456 PolarHBondContact NZ-OH 3.48Å; A451-Y456 PolarHBondContact O-N 3.22Å; A454-Y456 HydrophobicContact CB-CD2 3.52Å; A454-Y456 HydrophobicContact CB-CE2 3.74Å; Y456-S458 PolarHBondContact O-N 3.13Å; Y456-L461 HydrophobicContact CG-CD1 4.24Å; Y456-M480 HydrophobicContact CD2-CE 4.3Å; Y456-M480 HydrophobicContact CD2-SD 4.48Å; Y456-M480 WeakPolarHBondContact CE2-O 3.48Å; Y456-M480 PolarHBondContact OH-O 3.27Å; Y456-R481 PolarHBondContact OH-O 3.19Å; Y456-R481 VanDerWaalsContact OH-O 3.1Å; Y456-G483 VanDerWaalsContact CZ-CA 3.47Å
457	D	94	Very high	94.3	Very high	106 Å²	106	44.3 Å²	44.3	57%	0.567	26%	0.262	S	S	*	.			trans	-72.6	93.1	170.4	-173	-5.9	0	0	0	110	A459 D460 L461	D457-A459 PolarHBondContact O-N 2.77Å; D457-A459 WeakPolarHBondContact OD1-CB 3.41Å; D457-A459 PolarHBondContact OD1-N 2.86Å; D457-A459 VanDerWaalsContact OD1-N 3.14Å; D457-D460 HydrophobicContact CB-CB 4.33Å; D457-D460 PolarHBondContact O-N 3.31Å; D457-D460 PolarHBondContact OD1-N 2.99Å; D457-L461 PolarHBondContact O-N 3.41Å; D457-L461 VanDerWaalsContact O-N 3.13Å
458	S	93.4	Very high	94.2	Very high	15 Å²	15	45 Å²	45	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-29	-179	63.5	0	0	0	0	112.8	T448 D452 Y456 V462	T448-S458 WeakPolarHBondContact O-CB 3.15Å; D452-S458 WeakPolarHBondContact OD1-CB 3.41Å; D452-S458 PolarHBondContact OD1-OG 3.36Å; Y456-S458 PolarHBondContact O-N 3.13Å; S458-V462 VanDerWaalsContact O-CB 3.26Å; S458-V462 WeakPolarHBondContact O-CB 3.33Å; S458-V462 VanDerWaalsContact O-CG2 3.24Å; S458-V462 WeakPolarHBondContact O-CG2 3.47Å; S458-V462 PolarHBondContact O-N 3.23Å
459	A	93.6	Very high	94.1	Very high	69 Å²	69	44.4 Å²	44.4	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-68.7	-44.9	-179.4	0	0	0	0	0	111.1	D457 A463	D457-A459 PolarHBondContact O-N 2.77Å; D457-A459 WeakPolarHBondContact OD1-CB 3.41Å; D457-A459 PolarHBondContact OD1-N 2.86Å; D457-A459 VanDerWaalsContact OD1-N 3.14Å; A459-A463 WeakPolarHBondContact O-CB 3.34Å; A459-A463 PolarHBondContact O-N 2.96Å; A459-A463 VanDerWaalsContact O-N 3.17Å
460	D	94.7	Very high	93.9	Very high	80 Å²	80	47.9 Å²	47.9	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-49.3	177.3	-173.6	35.9	0	0	0	111.4	D457 V462 A463 Q464	D457-D460 HydrophobicContact CB-CB 4.33Å; D457-D460 PolarHBondContact O-N 3.31Å; D457-D460 PolarHBondContact OD1-N 2.99Å; D460-V462 PolarHBondContact O-N 3.09Å; D460-A463 WeakPolarHBondContact O-CB 3.19Å; D460-A463 PolarHBondContact O-N 2.9Å; D460-Q464 WeakPolarHBondContact O-CG 3.37Å; D460-Q464 PolarHBondContact O-N 3.24Å; D460-Q464 PolarHBondContact OD1-NE2 2.71Å; D460-Q464 PolarHBondContact OD2-NE2 3.1Å
461	L	94.1	Very high	93.8	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-45.5	-178.3	-72.6	177	0	0	0	113.1	A451 Y456 D457 A463 Q464 L465 L478 M480 G483	A451-L461 HydrophobicContact CB-CD1 4.31Å; Y456-L461 HydrophobicContact CG-CD1 4.24Å; D457-L461 PolarHBondContact O-N 3.41Å; D457-L461 VanDerWaalsContact O-N 3.13Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-A463 PolarHBondContact O-N 2.86Å; L461-Q464 PolarHBondContact O-N 3.08Å; L461-L465 VanDerWaalsContact O-CB 3.28Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 PolarHBondContact O-N 2.94Å; L461-L478 HydrophobicContact CB-CD2 4.11Å; L461-M480 HydrophobicContact CD1-CE 4.43Å; L461-G483 WeakPolarHBondContact CD2-O 3.48Å
462	V	94.3	Very high	93.6	Very high	14 Å²	14	57.3 Å²	57.3	9%	0.085	35%	0.346	C	S	.	.	H	α-helix	trans	-70.8	-31.4	179.3	176.6	0	0	0	0	111.2	M415 P447 S458 D460 L465 R466	M415-V462 HydrophobicContact CE-CG1 3.82Å; P447-V462 HydrophobicContact CB-CG2 4.23Å; S458-V462 VanDerWaalsContact O-CB 3.26Å; S458-V462 WeakPolarHBondContact O-CB 3.33Å; S458-V462 VanDerWaalsContact O-CG2 3.24Å; S458-V462 WeakPolarHBondContact O-CG2 3.47Å; S458-V462 PolarHBondContact O-N 3.23Å; D460-V462 PolarHBondContact O-N 3.09Å; V462-L465 PolarHBondContact O-N 3.37Å; V462-R466 VanDerWaalsContact O-CB 3.3Å; V462-R466 WeakPolarHBondContact O-CB 3.32Å; V462-R466 PolarHBondContact O-N 2.97Å
463	A	94.4	Very high	93.3	Very high	41 Å²	41	56.9 Å²	56.9	34%	0.339	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-45.4	174.1	0	0	0	0	0	111.9	A459 D460 L461 R466 A467	A459-A463 WeakPolarHBondContact O-CB 3.34Å; A459-A463 PolarHBondContact O-N 2.96Å; A459-A463 VanDerWaalsContact O-N 3.17Å; D460-A463 WeakPolarHBondContact O-CB 3.19Å; D460-A463 PolarHBondContact O-N 2.9Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-A463 PolarHBondContact O-N 2.86Å; A463-R466 PolarHBondContact O-N 2.9Å; A463-A467 PolarHBondContact O-N 2.77Å; A463-A467 VanDerWaalsContact O-N 3.09Å
464	Q	94.1	Very high	93.1	Very high	88 Å²	88	58.1 Å²	58.1	41%	0.411	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-40.7	174.4	-67.3	175.8	31	0	0	111.3	D460 L461 R466 A467 A468 I485	D460-Q464 WeakPolarHBondContact O-CG 3.37Å; D460-Q464 PolarHBondContact O-N 3.24Å; D460-Q464 PolarHBondContact OD1-NE2 2.71Å; D460-Q464 PolarHBondContact OD2-NE2 3.1Å; L461-Q464 PolarHBondContact O-N 3.08Å; Q464-R466 VanDerWaalsContact C-N 3.32Å; Q464-R466 PolarHBondContact O-N 2.8Å; Q464-A467 WeakPolarHBondContact O-CB 3.09Å; Q464-A467 PolarHBondContact O-N 2.73Å; Q464-A467 VanDerWaalsContact O-N 3.1Å; Q464-A468 PolarHBondContact O-N 2.98Å; Q464-I485 HydrophobicContact CB-CD1 3.22Å; Q464-I485 HydrophobicContact CG-CD1 4.5Å
465	L	94.1	Very high	93.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-64.3	-39.8	179.9	-177.4	64.3	0	0	0	111.3	M415 P447 L461 V462 A467 A468 H469 A476 L478 I485	M415-L465 HydrophobicContact CB-CD2 4.34Å; M415-L465 HydrophobicContact CB-CG 4.44Å; M415-L465 HydrophobicContact CE-CB 4.22Å; M415-L465 HydrophobicContact CE-CD2 3.89Å; M415-L465 HydrophobicContact CE-CG 3.99Å; M415-L465 HydrophobicContact CG-CG 4.19Å; P447-L465 HydrophobicContact CB-CD2 4.36Å; L461-L465 VanDerWaalsContact O-CB 3.28Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 PolarHBondContact O-N 2.94Å; V462-L465 PolarHBondContact O-N 3.37Å; L465-A467 VanDerWaalsContact C-N 3.34Å; L465-A468 PolarHBondContact O-N 3.5Å; L465-H469 PolarHBondContact O-N 2.83Å; L465-H469 VanDerWaalsContact O-N 3.14Å; L465-H469 PolarHBondContact O-ND1 2.8Å; L465-A476 HydrophobicContact CD1-CB 4.04Å; L465-L478 HydrophobicContact CD2-CD2 4.05Å; L465-L478 HydrophobicContact CD2-CG 3.97Å; L465-I485 HydrophobicContact CB-CD1 4.08Å; L465-I485 HydrophobicContact CB-CG1 4.36Å; L465-I485 HydrophobicContact CD1-CG1 4.43Å; L465-I485 HydrophobicContact CD1-CG2 4.13Å
466	R	93.9	Very high	93.2	Very high	129 Å²	129	55.6 Å²	55.6	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-39.9	173.4	-177.3	-174.2	64.6	177.2	-2.4	111.7	M415 V462 A463 Q464 S470	M415-R466 HydrophobicContact CE-CB 4.12Å; M415-R466 HydrophobicContact SD-CB 3.84Å; M415-R466 HydrophobicContact SD-CG 4.18Å; V462-R466 VanDerWaalsContact O-CB 3.3Å; V462-R466 WeakPolarHBondContact O-CB 3.32Å; V462-R466 PolarHBondContact O-N 2.97Å; A463-R466 PolarHBondContact O-N 2.9Å; Q464-R466 VanDerWaalsContact C-N 3.32Å; Q464-R466 PolarHBondContact O-N 2.8Å; R466-S470 WeakPolarHBondContact O-CB 3.47Å; R466-S470 PolarHBondContact O-N 3.43Å; R466-S470 VanDerWaalsContact O-N 3.08Å
467	A	94.3	Very high	93.2	Very high	47 Å²	47	52.3 Å²	52.3	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-47.5	176.7	0	0	0	0	0	111	A463 Q464 L465 H469 S470 E471	A463-A467 PolarHBondContact O-N 2.77Å; A463-A467 VanDerWaalsContact O-N 3.09Å; Q464-A467 WeakPolarHBondContact O-CB 3.09Å; Q464-A467 PolarHBondContact O-N 2.73Å; Q464-A467 VanDerWaalsContact O-N 3.1Å; L465-A467 VanDerWaalsContact C-N 3.34Å; A467-H469 PolarHBondContact O-N 3.48Å; A467-S470 WeakPolarHBondContact O-CA 3.39Å; A467-S470 WeakPolarHBondContact O-CB 3.45Å; A467-S470 PolarHBondContact O-N 2.85Å; A467-E471 PolarHBondContact O-N 2.82Å
468	A	94	Very high	93.2	Very high	15 Å²	15	47.4 Å²	47.4	12%	0.124	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-45	178.1	0	0	0	0	0	112.8	Q464 L465 S470 E471 G472 N473 A476	Q464-A468 PolarHBondContact O-N 2.98Å; L465-A468 PolarHBondContact O-N 3.5Å; A468-S470 VanDerWaalsContact C-N 3.31Å; A468-S470 PolarHBondContact O-N 2.89Å; A468-E471 PolarHBondContact O-N 3Å; A468-G472 PolarHBondContact O-N 2.93Å; A468-N473 HydrophobicContact CB-CB 4.46Å; A468-N473 WeakPolarHBondContact O-CB 3.17Å; A468-N473 PolarHBondContact O-N 3.21Å; A468-A476 HydrophobicContact CB-CB 3.94Å
469	H	93.6	Very high	93.2	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-33.1	175.7	-76.2	85.5	0	0	0	112.7	C412 M415 L465 A467 E471 G472 A476	C412-H469 PolarHBondContact O-NE2 3.22Å; M415-H469 HydrophobicContact CG-CB 3.97Å; M415-H469 WeakPolarHBondContact CG-ND1 3.48Å; L465-H469 PolarHBondContact O-N 2.83Å; L465-H469 VanDerWaalsContact O-N 3.14Å; L465-H469 PolarHBondContact O-ND1 2.8Å; A467-H469 PolarHBondContact O-N 3.48Å; H469-E471 VanDerWaalsContact C-N 3.28Å; H469-E471 PolarHBondContact O-N 3.48Å; H469-G472 PolarHBondContact O-N 2.82Å; H469-G472 VanDerWaalsContact O-N 3.14Å; H469-A476 PolarHBondContact CE1-O 2.9Å; H469-A476 PolarHBondContact NE2-O 3.05Å
470	S	92	Very high	93	Very high	78 Å²	78	44.9 Å²	44.9	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-69.8	-26	175.4	-166.8	0	0	0	0	113.2	R466 A467 A468	R466-S470 WeakPolarHBondContact O-CB 3.47Å; R466-S470 PolarHBondContact O-N 3.43Å; R466-S470 VanDerWaalsContact O-N 3.08Å; A467-S470 WeakPolarHBondContact O-CA 3.39Å; A467-S470 WeakPolarHBondContact O-CB 3.45Å; A467-S470 PolarHBondContact O-N 2.85Å; A468-S470 VanDerWaalsContact C-N 3.31Å; A468-S470 PolarHBondContact O-N 2.89Å
471	E	92.8	Very high	92.6	Very high	170 Å²	170	49.9 Å²	49.9	79%	0.794	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.8	172.3	-69	174.5	-179.5	0	0	112.6	A467 A468 H469	A467-E471 PolarHBondContact O-N 2.82Å; A468-E471 PolarHBondContact O-N 3Å; H469-E471 VanDerWaalsContact C-N 3.28Å; H469-E471 PolarHBondContact O-N 3.48Å
472	G	89.7	Confident	92.3	Very high	53 Å²	53	56.3 Å²	56.3	55%	0.546	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	7.2	179	0	0	0	0	0	114.5	A468 H469 T474	A468-G472 PolarHBondContact O-N 2.93Å; H469-G472 PolarHBondContact O-N 2.82Å; H469-G472 VanDerWaalsContact O-N 3.14Å; G472-T474 PolarHBondContact O-N 3.24Å; G472-T474 VanDerWaalsContact O-N 3.1Å
473	N	90.2	Very high	92.1	Very high	71 Å²	71	56.4 Å²	56.4	38%	0.38	31%	0.305	S	S	.	.			trans	-79.5	90.6	173	-171.2	-10.3	0	0	0	110.4	A468 T475 A476	A468-N473 HydrophobicContact CB-CB 4.46Å; A468-N473 WeakPolarHBondContact O-CB 3.17Å; A468-N473 PolarHBondContact O-N 3.21Å; N473-T475 VanDerWaalsContact C-N 3.3Å; N473-T475 PolarHBondContact O-N 3.48Å; N473-T475 PolarHBondContact OD1-N 3.01Å; N473-T475 PolarHBondContact OD1-OG1 3.49Å; N473-T475 VanDerWaalsContact OD1-OG1 3.06Å; N473-A476 HydrophobicContact CB-CB 4.38Å; N473-A476 PolarHBondContact OD1-N 2.98Å
474	T	89.2	Confident	92	Very high	75 Å²	75	57.2 Å²	57.2	46%	0.46	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	1.6	-179.6	58.5	0	0	0	0	114.2	C412 L416 G472	C412-T474 PolarHBondContact SG-O 2.83Å; L416-T474 HydrophobicContact CD1-CG2 4.11Å; G472-T474 PolarHBondContact O-N 3.24Å; G472-T474 VanDerWaalsContact O-N 3.1Å
475	T	92.8	Very high	91.9	Very high	28 Å²	28	55.3 Å²	55.3	17%	0.172	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-8.2	176.2	62.4	0	0	0	0	112.5	Y408 N473 G477 D487 M488	Y408-T475 HydrophobicContact CD2-CG2 4.17Å; Y408-T475 HydrophobicContact CE2-CG2 3.72Å; N473-T475 VanDerWaalsContact C-N 3.3Å; N473-T475 PolarHBondContact O-N 3.48Å; N473-T475 PolarHBondContact OD1-N 3.01Å; N473-T475 PolarHBondContact OD1-OG1 3.49Å; N473-T475 VanDerWaalsContact OD1-OG1 3.06Å; T475-G477 PolarHBondContact O-N 3.27Å; T475-D487 VanDerWaalsContact CB-OD1 3.28Å; T475-D487 WeakPolarHBondContact CB-OD1 3.45Å; T475-D487 VanDerWaalsContact OG1-CG 3.26Å; T475-D487 PolarHBondContact OG1-OD1 3.15Å; T475-D487 PolarHBondContact OG1-OD2 2.94Å; T475-D487 VanDerWaalsContact OG1-OD2 3.05Å; T475-M488 WeakPolarHBondContact O-CB 3.21Å; T475-M488 WeakPolarHBondContact O-CG 2.99Å; T475-M488 PolarHBondContact O-N 2.81Å
476	A	94	Very high	91.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.7	175.7	0	0	0	0	0	111.1	C412 L465 A468 H469 N473 I485 G486	C412-A476 WeakPolarHBondContact CB-O 3.35Å; C412-A476 PolarHBondContact SG-O 2.89Å; L465-A476 HydrophobicContact CD1-CB 4.04Å; A468-A476 HydrophobicContact CB-CB 3.94Å; H469-A476 PolarHBondContact CE1-O 2.9Å; H469-A476 PolarHBondContact NE2-O 3.05Å; N473-A476 HydrophobicContact CB-CB 4.38Å; N473-A476 PolarHBondContact OD1-N 2.98Å; A476-I485 HydrophobicContact CB-CG2 3.84Å; A476-G486 WeakPolarHBondContact CA-O 3.18Å
477	G	94.1	Very high	91.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	-175.2	174.1	0	0	0	0	0	111.2	T475 I485 G486	T475-G477 PolarHBondContact O-N 3.27Å; G477-I485 WeakPolarHBondContact O-CA 3.38Å; G477-G486 PolarHBondContact N-O 3.01Å; G477-G486 PolarHBondContact O-N 3.32Å
478	L	93.4	Very high	91.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.2	-178.5	-69.3	-177.2	0	0	0	111.4	G410 P447 A451 L461 L465 M480	G410-L478 WeakPolarHBondContact O-CB 3.22Å; G410-L478 PolarHBondContact O-N 2.87Å; P447-L478 HydrophobicContact CB-CD1 3.58Å; P447-L478 HydrophobicContact CB-CG 4.45Å; P447-L478 WeakPolarHBondContact O-CD1 3.38Å; A451-L478 HydrophobicContact CB-CD1 4.38Å; L461-L478 HydrophobicContact CB-CD2 4.11Å; L465-L478 HydrophobicContact CD2-CD2 4.05Å; L465-L478 HydrophobicContact CD2-CG 3.97Å; L478-M480 HydrophobicContact CB-CE 3.56Å; L478-M480 HydrophobicContact CB-SD 4.4Å; L478-M480 HydrophobicContact CD1-CE 4.31Å; L478-M480 HydrophobicContact CD2-CE 4.37Å; L478-M480 HydrophobicContact CG-CE 4.29Å; L478-M480 PolarHBondContact O-N 3.1Å
479	D	93.3	Very high	91.6	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	104.2	166.6	-171.4	-13.4	0	0	0	110	R481 G483 T484 L491	D479-R481 VanDerWaalsContact C-N 3.27Å; D479-R481 PolarHBondContact O-N 3.25Å; D479-R481 WeakPolarHBondContact OD1-CB 3.34Å; D479-R481 PolarHBondContact OD1-N 2.85Å; D479-G483 VanDerWaalsContact O-CA 3.29Å; D479-G483 WeakPolarHBondContact O-CA 3.37Å; D479-G483 PolarHBondContact O-N 3.3Å; D479-T484 PolarHBondContact N-O 3.39Å; D479-T484 PolarHBondContact O-N 3.2Å; D479-L491 HydrophobicContact CB-CD1 3.84Å
480	M	89.2	Confident	91.5	Very high	13 Å²	13	58.3 Å²	58.3	6%	0.064	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.8	-177.6	-60.6	-66.8	83.1	0	0	114.2	P45 K46 I450 A454 Y456 L461 L478	P45-M480 HydrophobicContact CG-CB 3.77Å; P45-M480 HydrophobicContact CG-CG 3.83Å; K46-M480 WeakPolarHBondContact CE-O 3.1Å; K46-M480 PolarHBondContact NZ-O 2.94Å; I450-M480 HydrophobicContact CG2-CG 3.98Å; I450-M480 HydrophobicContact CG2-SD 3.77Å; A454-M480 HydrophobicContact CB-SD 3.69Å; Y456-M480 HydrophobicContact CD2-CE 4.3Å; Y456-M480 HydrophobicContact CD2-SD 4.48Å; Y456-M480 WeakPolarHBondContact CE2-O 3.48Å; Y456-M480 PolarHBondContact OH-O 3.27Å; L461-M480 HydrophobicContact CD1-CE 4.43Å; L478-M480 HydrophobicContact CB-CE 3.56Å; L478-M480 HydrophobicContact CB-SD 4.4Å; L478-M480 HydrophobicContact CD1-CE 4.31Å; L478-M480 HydrophobicContact CD2-CE 4.37Å; L478-M480 HydrophobicContact CG-CE 4.29Å; L478-M480 PolarHBondContact O-N 3.1Å
481	R	87.2	Confident	91.4	Very high	186 Å²	186	58.2 Å²	58.2	70%	0.702	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-50.2	172.7	-65.7	175.9	169.2	-170.8	-8.2	110.8	Y456 D479	Y456-R481 PolarHBondContact OH-O 3.19Å; Y456-R481 VanDerWaalsContact OH-O 3.1Å; D479-R481 VanDerWaalsContact C-N 3.27Å; D479-R481 PolarHBondContact O-N 3.25Å; D479-R481 WeakPolarHBondContact OD1-CB 3.34Å; D479-R481 PolarHBondContact OD1-N 2.85Å
482	E	87.9	Confident	91.3	Very high	145 Å²	145	51 Å²	51	68%	0.678	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.5	-179.8	-62.7	-169	169.7	0	0	112.6	T484	E482-T484 HydrophobicContact CB-CG2 4.21Å
483	G	89.2	Confident	91.5	Very high	15 Å²	15	50.2 Å²	50.2	16%	0.155	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	40.9	-173.7	0	0	0	0	0	111.5	Y456 L461 D479	Y456-G483 VanDerWaalsContact CZ-CA 3.47Å; L461-G483 WeakPolarHBondContact CD2-O 3.48Å; D479-G483 VanDerWaalsContact O-CA 3.29Å; D479-G483 WeakPolarHBondContact O-CA 3.37Å; D479-G483 PolarHBondContact O-N 3.3Å
484	T	92.9	Very high	91.6	Very high	58 Å²	58	47.2 Å²	47.2	36%	0.356	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	173.6	-177.1	59.5	0	0	0	0	110.1	D479 E482	D479-T484 PolarHBondContact N-O 3.39Å; D479-T484 PolarHBondContact O-N 3.2Å; E482-T484 HydrophobicContact CB-CG2 4.21Å
485	I	92.2	Very high	91.8	Very high	49 Å²	49	45 Å²	45	25%	0.251	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.9	170.2	-65.1	161.8	0	0	0	108.4	Q464 L465 A476 G477	Q464-I485 HydrophobicContact CB-CD1 3.22Å; Q464-I485 HydrophobicContact CG-CD1 4.5Å; L465-I485 HydrophobicContact CB-CD1 4.08Å; L465-I485 HydrophobicContact CB-CG1 4.36Å; L465-I485 HydrophobicContact CD1-CG1 4.43Å; L465-I485 HydrophobicContact CD1-CG2 4.13Å; A476-I485 HydrophobicContact CB-CG2 3.84Å; G477-I485 WeakPolarHBondContact O-CA 3.38Å
486	G	91.9	Very high	91.9	Very high	17 Å²	17	43.8 Å²	43.8	18%	0.175	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	164.5	178.4	0	0	0	0	0	111.8	A476 G477 M488	A476-G486 WeakPolarHBondContact CA-O 3.18Å; G477-G486 PolarHBondContact N-O 3.01Å; G477-G486 PolarHBondContact O-N 3.32Å; G486-M488 WeakPolarHBondContact O-CE 3.42Å
487	D	93.6	Very high	91.9	Very high	54 Å²	54	43.8 Å²	43.8	29%	0.289	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.8	170.1	-170.7	-34.1	0	0	0	109.6	T475 A489 I490 L491	T475-D487 VanDerWaalsContact CB-OD1 3.28Å; T475-D487 WeakPolarHBondContact CB-OD1 3.45Å; T475-D487 VanDerWaalsContact OG1-CG 3.26Å; T475-D487 PolarHBondContact OG1-OD1 3.15Å; T475-D487 PolarHBondContact OG1-OD2 2.94Å; T475-D487 VanDerWaalsContact OG1-OD2 3.05Å; D487-A489 PolarHBondContact O-N 3.2Å; D487-A489 VanDerWaalsContact OD1-CB 3.24Å; D487-A489 WeakPolarHBondContact OD1-CB 3.4Å; D487-A489 PolarHBondContact OD1-N 3.12Å; D487-I490 HydrophobicContact CB-CB 4.22Å; D487-I490 HydrophobicContact CB-CD1 3.9Å; D487-I490 HydrophobicContact CB-CG1 3.98Å; D487-I490 PolarHBondContact O-N 2.85Å; D487-L491 WeakPolarHBondContact O-CG 3.27Å; D487-L491 PolarHBondContact O-N 3.43Å
488	M	92.7	Very high	91.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-25.8	-177.7	-62.5	-60.6	94.3	0	0	112.9	Y408 C412 T475 G486 L491 G492 I493	Y408-M488 HydrophobicContact CD1-CB 3.95Å; Y408-M488 HydrophobicContact CG-CB 4.05Å; C412-M488 HydrophobicContact CB-CG 3.99Å; T475-M488 WeakPolarHBondContact O-CB 3.21Å; T475-M488 WeakPolarHBondContact O-CG 2.99Å; T475-M488 PolarHBondContact O-N 2.81Å; G486-M488 WeakPolarHBondContact O-CE 3.42Å; M488-L491 HydrophobicContact CE-CD1 3.73Å; M488-G492 PolarHBondContact O-N 3.42Å; M488-I493 HydrophobicContact CE-CD1 4.22Å; M488-I493 PolarHBondContact O-N 3.48Å; M488-I493 HydrophobicContact SD-CB 3.92Å; M488-I493 HydrophobicContact SD-CD1 3.83Å; M488-I493 HydrophobicContact SD-CG1 4.4Å; M488-I493 HydrophobicContact SD-CG2 4.18Å
489	A	91	Very high	91.9	Very high	46 Å²	46	45.8 Å²	45.8	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-70	-40.5	175.6	0	0	0	0	0	111.2	Y408 D487 G492	Y408-A489 HydrophobicContact CE1-CB 3.67Å; Y408-A489 WeakPolarHBondContact OH-CB 3.35Å; D487-A489 PolarHBondContact O-N 3.2Å; D487-A489 VanDerWaalsContact OD1-CB 3.24Å; D487-A489 WeakPolarHBondContact OD1-CB 3.4Å; D487-A489 PolarHBondContact OD1-N 3.12Å; A489-G492 PolarHBondContact O-N 2.94Å
490	I	91.8	Very high	92	Very high	144 Å²	144	45.6 Å²	45.6	74%	0.738	24%	0.24	S	C	*	.	H	α-helix	trans	-72.8	-40.6	178.3	-59.6	178.2	0	0	0	110.7	D487 G492	D487-I490 HydrophobicContact CB-CB 4.22Å; D487-I490 HydrophobicContact CB-CD1 3.9Å; D487-I490 HydrophobicContact CB-CG1 3.98Å; D487-I490 PolarHBondContact O-N 2.85Å; I490-G492 PolarHBondContact O-N 3.1Å
491	L	91.2	Very high	92.3	Very high	76 Å²	76	48.9 Å²	48.9	40%	0.398	25%	0.252	S	S	.	.	H	α-helix	trans	-73.3	-12.4	178	-66.6	-179.2	0	0	0	113.4	D479 D487 M488 I493	D479-L491 HydrophobicContact CB-CD1 3.84Å; D487-L491 WeakPolarHBondContact O-CG 3.27Å; D487-L491 PolarHBondContact O-N 3.43Å; M488-L491 HydrophobicContact CE-CD1 3.73Å; L491-I493 VanDerWaalsContact C-N 3.35Å; L491-I493 HydrophobicContact CB-CD1 4.01Å; L491-I493 HydrophobicContact CB-CG1 4Å; L491-I493 HydrophobicContact CD1-CD1 4.23Å
492	G	90.3	Very high	92.6	Very high	18 Å²	18	42.2 Å²	42.2	19%	0.186	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	32.2	-178.8	0	0	0	0	0	113.1	N161 M488 A489 I490 T494	N161-G492 VanDerWaalsContact CB-O 3.28Å; N161-G492 WeakPolarHBondContact CB-O 3.47Å; M488-G492 PolarHBondContact O-N 3.42Å; A489-G492 PolarHBondContact O-N 2.94Å; I490-G492 PolarHBondContact O-N 3.1Å; G492-T494 PolarHBondContact O-N 2.84Å
493	I	93.1	Very high	93	Very high	38 Å²	38	35.6 Å²	35.6	20%	0.195	20%	0.198	C	C	.	.			trans	-94.7	88.1	179.2	-57.7	174.9	0	0	0	108.3	T165 G409 M488 L491	T165-I493 HydrophobicContact CG2-CG2 3.97Å; G409-I493 PolarHBondContact N-O 2.9Å; M488-I493 HydrophobicContact CE-CD1 4.22Å; M488-I493 PolarHBondContact O-N 3.48Å; M488-I493 HydrophobicContact SD-CB 3.92Å; M488-I493 HydrophobicContact SD-CD1 3.83Å; M488-I493 HydrophobicContact SD-CG1 4.4Å; M488-I493 HydrophobicContact SD-CG2 4.18Å; L491-I493 VanDerWaalsContact C-N 3.35Å; L491-I493 HydrophobicContact CB-CD1 4.01Å; L491-I493 HydrophobicContact CB-CG1 4Å; L491-I493 HydrophobicContact CD1-CD1 4.23Å
494	T	93.1	Very high	93.3	Very high	8 Å²	8	35 Å²	35	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.2	178.1	58.8	0	0	0	0	110.4	N161 I162 T165 V407 Y408 G492	N161-T494 WeakPolarHBondContact CB-OG1 3.49Å; I162-T494 WeakPolarHBondContact CA-O 3.35Å; I162-T494 WeakPolarHBondContact CG1-O 3.36Å; T165-T494 PolarHBondContact OG1-O 2.84Å; V407-T494 CarbonylContact O-C 3.59Å; V407-T494 WeakPolarHBondContact O-CA 3.46Å; Y408-T494 HydrophobicContact CD1-CG2 4.3Å; Y408-T494 HydrophobicContact CE1-CG2 4.37Å; G492-T494 PolarHBondContact O-N 2.84Å
495	E	94	Very high	93.5	Very high	29 Å²	29	33.7 Å²	33.7	14%	0.136	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	160.4	174.6	-70.2	179.8	99.8	0	0	109.9	T165 T406 V407 G409 K500	T165-E495 HydrophobicContact CG2-CG 3.86Å; T406-E495 WeakPolarHBondContact CA-O 3.34Å; V407-E495 HydrophobicContact CG2-CB 4.49Å; V407-E495 PolarHBondContact N-O 3.42Å; V407-E495 PolarHBondContact O-N 2.92Å; G409-E495 WeakPolarHBondContact CA-OE2 3.48Å; E495-K500 VanDerWaalsContact CD-NZ 3.31Å; E495-K500 WeakPolarHBondContact OE1-CE 3.41Å; E495-K500 IonicContact OE1-NZ 3.39Å; E495-K500 PolarHBondContact OE1-NZ 2.93Å; E495-K500 WeakPolarHBondContact OE2-CE 3.47Å; E495-K500 IonicContact OE2-NZ 3.91Å; E495-K500 PolarHBondContact OE2-NZ 3.06Å
496	S	93.8	Very high	93.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134	175.9	178.8	0	0	0	0	110.8	T400 Q498 V499 K500	T400-S496 WeakPolarHBondContact OG1-CB 3.34Å; T400-S496 PolarHBondContact OG1-OG 3.46Å; S496-Q498 PolarHBondContact O-N 2.89Å; S496-Q498 PolarHBondContact OG-N 3.4Å; S496-V499 PolarHBondContact O-N 2.99Å; S496-K500 PolarHBondContact O-N 3.5Å
497	F	94.7	Very high	93.8	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-39	174.3	168.6	-101.8	0	0	0	111.6	L141 L142 A145 R405 V407 V499 K500 R501	L141-F497 HydrophobicContact CB-CE2 4.45Å; L141-F497 HydrophobicContact CD2-CD2 4.2Å; L141-F497 HydrophobicContact CD2-CE2 3.89Å; L141-F497 HydrophobicContact CG-CD2 4.02Å; L141-F497 HydrophobicContact CG-CE2 3.79Å; L142-F497 HydrophobicContact CD2-CE1 3.99Å; L142-F497 HydrophobicContact CD2-CE2 3.86Å; L142-F497 HydrophobicContact CD2-CZ 3.25Å; L142-F497 HydrophobicContact CG-CE2 4.09Å; L142-F497 HydrophobicContact CG-CZ 3.78Å; A145-F497 HydrophobicContact CB-CD2 3.87Å; A145-F497 HydrophobicContact CB-CE2 4.42Å; A145-F497 HydrophobicContact CB-CG 4.33Å; R405-F497 HydrophobicContact CB-CB 3.73Å; R405-F497 HydrophobicContact CB-CD1 4.28Å; R405-F497 HydrophobicContact CB-CG 4.14Å; R405-F497 VanDerWaalsContact O-CB 3.23Å; R405-F497 WeakPolarHBondContact O-CB 3.14Å; R405-F497 PolarHBondContact O-N 3.46Å; R405-F497 VanDerWaalsContact O-N 3.08Å; V407-F497 HydrophobicContact CG1-CB 4.26Å; V407-F497 HydrophobicContact CG1-CD2 3.99Å; F497-V499 PolarHBondContact O-N 2.83Å; F497-K500 PolarHBondContact O-N 3.49Å; F497-R501 HydrophobicContact CE1-CB 4.25Å; F497-R501 HydrophobicContact CE2-CB 4.42Å; F497-R501 HydrophobicContact CZ-CB 4.06Å; F497-R501 HydrophobicContact CZ-CG 4.29Å; F497-R501 VanDerWaalsContact O-CB 3.24Å; F497-R501 WeakPolarHBondContact O-CB 3.43Å; F497-R501 PolarHBondContact O-N 3.35Å
498	Q	93.1	Very high	93.9	Very high	42 Å²	42	28.8 Å²	28.8	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-40	-179	-72.4	-70	-1.6	0	0	112.2	D403 S496 R501 Q502	D403-Q498 HydrophobicContact CB-CG 3.88Å; D403-Q498 WeakPolarHBondContact OD2-CG 3.45Å; D403-Q498 PolarHBondContact OD2-NE2 3.47Å; S496-Q498 PolarHBondContact O-N 2.89Å; S496-Q498 PolarHBondContact OG-N 3.4Å; Q498-R501 PolarHBondContact O-N 3.22Å; Q498-Q502 VanDerWaalsContact O-CB 3.3Å; Q498-Q502 WeakPolarHBondContact O-CB 3.18Å; Q498-Q502 PolarHBondContact O-N 2.82Å
499	V	94.1	Very high	94.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-57.1	-55.1	174.7	175.9	0	0	0	0	110	V95 V396 S496 F497 R501 Q502 V503	V95-V499 HydrophobicContact CB-CG2 4.47Å; V95-V499 HydrophobicContact CG1-CB 4.17Å; V95-V499 HydrophobicContact CG1-CG2 3.3Å; V396-V499 HydrophobicContact CG1-CG2 4.06Å; V396-V499 HydrophobicContact CG2-CG2 4.1Å; S496-V499 PolarHBondContact O-N 2.99Å; F497-V499 PolarHBondContact O-N 2.83Å; V499-R501 PolarHBondContact O-N 3.1Å; V499-Q502 PolarHBondContact O-N 3.14Å; V499-V503 HydrophobicContact CG1-CG2 4.29Å; V499-V503 WeakPolarHBondContact O-CG2 3.34Å; V499-V503 PolarHBondContact O-N 3.11Å
500	K	94.7	Very high	94.3	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.057	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-40.7	-177.2	-69.2	-61.8	-175.4	-175	0	113.3	L141 V407 E414 E495 S496 F497 Q502 V503 L504	L141-K500 HydrophobicContact CD1-CB 4.12Å; L141-K500 HydrophobicContact CD2-CB 3.81Å; V407-K500 HydrophobicContact CG2-CB 4.28Å; V407-K500 HydrophobicContact CG2-CG 3.77Å; E414-K500 WeakPolarHBondContact OE1-CD 3.38Å; E414-K500 WeakPolarHBondContact OE1-CE 3.38Å; E414-K500 IonicContact OE1-NZ 2.83Å; E414-K500 PolarHBondContact OE1-NZ 3.49Å; E414-K500 IonicContact OE2-NZ 3.85Å; E495-K500 VanDerWaalsContact CD-NZ 3.31Å; E495-K500 WeakPolarHBondContact OE1-CE 3.41Å; E495-K500 IonicContact OE1-NZ 3.39Å; E495-K500 PolarHBondContact OE1-NZ 2.93Å; E495-K500 WeakPolarHBondContact OE2-CE 3.47Å; E495-K500 IonicContact OE2-NZ 3.91Å; E495-K500 PolarHBondContact OE2-NZ 3.06Å; S496-K500 PolarHBondContact O-N 3.5Å; F497-K500 PolarHBondContact O-N 3.49Å; K500-Q502 VanDerWaalsContact C-N 3.34Å; K500-V503 PolarHBondContact O-N 3.13Å; K500-L504 PolarHBondContact O-N 2.96Å; K500-L504 VanDerWaalsContact O-N 3.07Å
501	R	95.1	Very high	94.4	Very high	82 Å²	82	25.7 Å²	25.7	31%	0.309	13%	0.129	S	C	.	.	H	α-helix	trans	-60	-47.3	176	174.9	-173.5	160.8	-144.1	-2.3	110.6	L141 F497 Q498 V499 L504 L505	L141-R501 HydrophobicContact CD2-CB 4.13Å; F497-R501 HydrophobicContact CE1-CB 4.25Å; F497-R501 HydrophobicContact CE2-CB 4.42Å; F497-R501 HydrophobicContact CZ-CB 4.06Å; F497-R501 HydrophobicContact CZ-CG 4.29Å; F497-R501 VanDerWaalsContact O-CB 3.24Å; F497-R501 WeakPolarHBondContact O-CB 3.43Å; F497-R501 PolarHBondContact O-N 3.35Å; Q498-R501 PolarHBondContact O-N 3.22Å; V499-R501 PolarHBondContact O-N 3.1Å; R501-L504 PolarHBondContact O-N 3.29Å; R501-L505 HydrophobicContact CG-CD1 4.03Å; R501-L505 WeakPolarHBondContact O-CG 3.47Å; R501-L505 PolarHBondContact O-N 2.81Å; R501-L505 VanDerWaalsContact O-N 3.14Å
502	Q	94.9	Very high	94.6	Very high	46 Å²	46	23.7 Å²	23.7	22%	0.215	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-39.4	-179.4	-166.3	64.1	16.3	0	0	111	V95 Q498 V499 K500 L504 L505 S506	V95-Q502 HydrophobicContact CG2-CB 4.04Å; V95-Q502 HydrophobicContact CG2-CG 4.12Å; Q498-Q502 VanDerWaalsContact O-CB 3.3Å; Q498-Q502 WeakPolarHBondContact O-CB 3.18Å; Q498-Q502 PolarHBondContact O-N 2.82Å; V499-Q502 PolarHBondContact O-N 3.14Å; K500-Q502 VanDerWaalsContact C-N 3.34Å; Q502-L504 VanDerWaalsContact C-N 3.32Å; Q502-L504 PolarHBondContact O-N 3.41Å; Q502-L505 PolarHBondContact O-N 3.28Å; Q502-S506 PolarHBondContact NE2-OG 2.89Å; Q502-S506 VanDerWaalsContact NE2-OG 3.14Å; Q502-S506 VanDerWaalsContact O-CB 3.29Å; Q502-S506 WeakPolarHBondContact O-CB 3.5Å; Q502-S506 PolarHBondContact O-N 2.98Å; Q502-S506 PolarHBondContact O-OG 3.06Å
503	V	95.8	Very high	94.9	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	13%	0.132	C	C	.	.	H	α-helix	trans	-55.3	-47.8	175.4	169.5	0	0	0	0	111.6	V102 L105 V499 K500 A507	V102-V503 HydrophobicContact CG2-CB 4.08Å; V102-V503 HydrophobicContact CG2-CG1 4.2Å; V102-V503 HydrophobicContact CG2-CG2 3.88Å; L105-V503 HydrophobicContact CD2-CG1 4.24Å; V499-V503 HydrophobicContact CG1-CG2 4.29Å; V499-V503 WeakPolarHBondContact O-CG2 3.34Å; V499-V503 PolarHBondContact O-N 3.11Å; K500-V503 PolarHBondContact O-N 3.13Å; V503-A507 WeakPolarHBondContact O-CB 3.47Å; V503-A507 PolarHBondContact O-N 3.42Å; V503-A507 VanDerWaalsContact O-N 3.15Å
504	L	95.7	Very high	94.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-47.2	179.2	-179.7	73.5	0	0	0	112.3	T134 A137 R138 M417 Y439 L443 K500 R501 Q502 A508	T134-L504 HydrophobicContact CG2-CD2 4.49Å; T134-L504 HydrophobicContact CG2-CG 4.32Å; A137-L504 HydrophobicContact CB-CD1 3.9Å; A137-L504 HydrophobicContact CB-CD2 3.78Å; A137-L504 HydrophobicContact CB-CG 4.48Å; R138-L504 HydrophobicContact CB-CD2 3.96Å; M417-L504 HydrophobicContact SD-CD1 3.98Å; M417-L504 HydrophobicContact SD-CD2 3.9Å; M417-L504 HydrophobicContact SD-CG 4.38Å; Y439-L504 HydrophobicContact CE1-CD1 4.14Å; Y439-L504 WeakPolarHBondContact OH-CD1 3.14Å; L443-L504 HydrophobicContact CD2-CD1 4.2Å; K500-L504 PolarHBondContact O-N 2.96Å; K500-L504 VanDerWaalsContact O-N 3.07Å; R501-L504 PolarHBondContact O-N 3.29Å; Q502-L504 VanDerWaalsContact C-N 3.32Å; Q502-L504 PolarHBondContact O-N 3.41Å; L504-A508 WeakPolarHBondContact O-CB 2.99Å; L504-A508 PolarHBondContact O-N 3.38Å
505	L	95.9	Very high	95	Very high	32 Å²	32	24.8 Å²	24.8	17%	0.168	12%	0.122	C	C	.	.	H	α-helix	trans	-70.9	-50.4	-175.6	-67.9	175.4	0	0	0	111.6	T134 R501 Q502 A507 A508 E509	T134-L505 HydrophobicContact CG2-CD2 4Å; R501-L505 HydrophobicContact CG-CD1 4.03Å; R501-L505 WeakPolarHBondContact O-CG 3.47Å; R501-L505 PolarHBondContact O-N 2.81Å; R501-L505 VanDerWaalsContact O-N 3.14Å; Q502-L505 PolarHBondContact O-N 3.28Å; L505-A507 VanDerWaalsContact C-N 3.32Å; L505-A507 PolarHBondContact O-N 3.39Å; L505-A508 PolarHBondContact O-N 2.94Å; L505-E509 WeakPolarHBondContact O-CG 3.49Å; L505-E509 PolarHBondContact O-N 2.91Å
506	S	95.8	Very high	94.9	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-42.9	179.4	-59.7	0	0	0	0	111.6	Q502 E509 A510	Q502-S506 PolarHBondContact NE2-OG 2.89Å; Q502-S506 VanDerWaalsContact NE2-OG 3.14Å; Q502-S506 VanDerWaalsContact O-CB 3.29Å; Q502-S506 WeakPolarHBondContact O-CB 3.5Å; Q502-S506 PolarHBondContact O-N 2.98Å; Q502-S506 PolarHBondContact O-OG 3.06Å; S506-E509 PolarHBondContact O-N 3.46Å; S506-A510 WeakPolarHBondContact O-CB 3.44Å; S506-A510 PolarHBondContact O-N 3.18Å
507	A	96.1	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-40.5	178.8	0	0	0	0	0	112.4	L105 A106 V503 L505 A511	L105-A507 HydrophobicContact CB-CB 3.92Å; L105-A507 HydrophobicContact CD2-CB 3.75Å; L105-A507 HydrophobicContact CG-CB 3.76Å; A106-A507 HydrophobicContact CB-CB 4.14Å; V503-A507 WeakPolarHBondContact O-CB 3.47Å; V503-A507 PolarHBondContact O-N 3.42Å; V503-A507 VanDerWaalsContact O-N 3.15Å; L505-A507 VanDerWaalsContact C-N 3.32Å; L505-A507 PolarHBondContact O-N 3.39Å; A507-A511 WeakPolarHBondContact O-CB 3.38Å; A507-A511 PolarHBondContact O-N 3.11Å
508	A	95.9	Very high	94.8	Very high	14 Å²	14	36.7 Å²	36.7	12%	0.116	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-42.2	177	0	0	0	0	0	112.2	T134 L504 L505 A511 E512	T134-A508 HydrophobicContact CG2-CB 3.94Å; T134-A508 WeakPolarHBondContact OG1-CB 3.48Å; L504-A508 WeakPolarHBondContact O-CB 2.99Å; L504-A508 PolarHBondContact O-N 3.38Å; L505-A508 PolarHBondContact O-N 2.94Å; A508-A511 PolarHBondContact O-N 3.37Å; A508-E512 WeakPolarHBondContact O-CB 3.27Å; A508-E512 PolarHBondContact O-N 3.44Å
509	E	95.6	Very high	94.8	Very high	123 Å²	123	37.3 Å²	37.3	58%	0.575	18%	0.183	S	C	*	.	H	α-helix	trans	-64	-45.6	176.2	-72.9	-177.3	-178.5	0	0	111.6	L505 S506 A511 E512 V513	L505-E509 WeakPolarHBondContact O-CG 3.49Å; L505-E509 PolarHBondContact O-N 2.91Å; S506-E509 PolarHBondContact O-N 3.46Å; E509-A511 PolarHBondContact O-N 2.94Å; E509-E512 PolarHBondContact O-N 2.74Å; E509-V513 WeakPolarHBondContact O-CG2 3.42Å; E509-V513 PolarHBondContact O-N 2.77Å
510	A	95.1	Very high	94.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-47.3	176.6	0	0	0	0	0	111.8	L84 M87 A106 S506 E512 V513 I514	L84-A510 HydrophobicContact CD2-CB 4Å; M87-A510 HydrophobicContact CG-CB 3.92Å; A106-A510 HydrophobicContact CB-CB 4.2Å; S506-A510 WeakPolarHBondContact O-CB 3.44Å; S506-A510 PolarHBondContact O-N 3.18Å; A510-E512 VanDerWaalsContact C-N 3.35Å; A510-E512 PolarHBondContact O-N 3.1Å; A510-V513 PolarHBondContact O-N 2.81Å; A510-I514 WeakPolarHBondContact O-CG1 3.29Å; A510-I514 PolarHBondContact O-N 3.45Å; A510-I514 VanDerWaalsContact O-N 3.08Å
511	A	95.5	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-39.6	178.6	0	0	0	0	0	111.6	L109 L110 W130 A507 A508 E509 L515	L109-A511 HydrophobicContact CB-CB 3.94Å; L109-A511 HydrophobicContact CD1-CB 4.01Å; L110-A511 HydrophobicContact CD2-CB 4.37Å; L110-A511 HydrophobicContact CG-CB 4.33Å; W130-A511 HydrophobicContact CE3-CB 4.32Å; W130-A511 HydrophobicContact CH2-CB 4.43Å; W130-A511 HydrophobicContact CZ3-CB 3.69Å; A507-A511 WeakPolarHBondContact O-CB 3.38Å; A507-A511 PolarHBondContact O-N 3.11Å; A508-A511 PolarHBondContact O-N 3.37Å; E509-A511 PolarHBondContact O-N 2.94Å; A511-L515 WeakPolarHBondContact O-CB 3.46Å; A511-L515 PolarHBondContact O-N 3.05Å
512	E	95.3	Very high	94.4	Very high	35 Å²	35	42 Å²	42	16%	0.164	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-44.9	175.8	-178.3	175.6	156.1	0	0	112.2	I127 R131 A508 E509 A510 L515 R516	I127-E512 HydrophobicContact CD1-CG 4.29Å; I127-E512 HydrophobicContact CG1-CG 4.25Å; I127-E512 HydrophobicContact CG2-CG 3.7Å; R131-E512 IonicContact CZ-OE1 3.28Å; R131-E512 VanDerWaalsContact CZ-OE1 3.28Å; R131-E512 IonicContact CZ-OE2 3.67Å; R131-E512 IonicContact NE-OE1 3.24Å; R131-E512 PolarHBondContact NE-OE1 3Å; R131-E512 IonicContact NE-OE2 2.88Å; R131-E512 PolarHBondContact NE-OE2 3.17Å; R131-E512 IonicContact NH2-OE1 2.62Å; R131-E512 PolarHBondContact NH2-OE1 3.1Å; R131-E512 IonicContact NH2-OE2 3.59Å; A508-E512 WeakPolarHBondContact O-CB 3.27Å; A508-E512 PolarHBondContact O-N 3.44Å; E509-E512 PolarHBondContact O-N 2.74Å; A510-E512 VanDerWaalsContact C-N 3.35Å; A510-E512 PolarHBondContact O-N 3.1Å; E512-L515 PolarHBondContact O-N 3.25Å; E512-R516 VanDerWaalsContact O-CG 3.27Å; E512-R516 WeakPolarHBondContact O-CG 3.4Å; E512-R516 PolarHBondContact O-N 2.97Å; E512-R516 IonicContact OE1-CZ 3.11Å; E512-R516 IonicContact OE1-NE 3.2Å; E512-R516 PolarHBondContact OE1-NE 2.88Å; E512-R516 IonicContact OE1-NH2 2.62Å; E512-R516 PolarHBondContact OE1-NH2 3.17Å
513	V	95	Very high	94.2	Very high	79 Å²	79	44 Å²	44	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-48	178.8	169.8	0	0	0	0	110.6	E509 A510 R516	E509-V513 WeakPolarHBondContact O-CG2 3.42Å; E509-V513 PolarHBondContact O-N 2.77Å; A510-V513 PolarHBondContact O-N 2.81Å; V513-R516 PolarHBondContact O-N 3.48Å
514	I	94.6	Very high	93.7	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-66.6	-40.4	-178.7	-67.7	166.7	0	0	0	111.1	A32 A80 V83 L84 L110 A510 R516 V517	A32-I514 HydrophobicContact CB-CD1 4.41Å; A80-I514 HydrophobicContact CB-CD1 4.13Å; A80-I514 HydrophobicContact CB-CG1 4.15Å; A80-I514 HydrophobicContact CB-CG2 4.04Å; V83-I514 HydrophobicContact CB-CD1 4.32Å; V83-I514 HydrophobicContact CB-CG1 4.43Å; V83-I514 HydrophobicContact CG1-CD1 4.18Å; V83-I514 HydrophobicContact CG1-CG1 4.24Å; L84-I514 HydrophobicContact CD2-CD1 4.12Å; L84-I514 HydrophobicContact CG-CD1 4.3Å; L110-I514 HydrophobicContact CD1-CB 4.14Å; L110-I514 HydrophobicContact CD1-CD1 3.59Å; L110-I514 HydrophobicContact CD1-CG1 4.46Å; L110-I514 HydrophobicContact CD1-CG2 3.95Å; L110-I514 HydrophobicContact CD2-CB 3.95Å; L110-I514 HydrophobicContact CD2-CG2 3.73Å; A510-I514 WeakPolarHBondContact O-CG1 3.29Å; A510-I514 PolarHBondContact O-N 3.45Å; A510-I514 VanDerWaalsContact O-N 3.08Å; I514-R516 VanDerWaalsContact C-N 3.25Å; I514-R516 PolarHBondContact O-N 3.23Å; I514-V517 WeakPolarHBondContact O-CB 3.49Å; I514-V517 PolarHBondContact O-N 3.42Å; I514-V517 VanDerWaalsContact O-N 3.12Å
515	L	93.5	Very high	93.2	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-23.6	-178.8	-174.4	58.1	0	0	0	113.6	F29 A113 I117 P123 I126 I127 W130 A511 E512 V517	F29-L515 HydrophobicContact CE1-CD1 4.36Å; F29-L515 HydrophobicContact CZ-CD1 4.05Å; A113-L515 HydrophobicContact CB-CD1 4.04Å; A113-L515 HydrophobicContact CB-CD2 4.48Å; I117-L515 HydrophobicContact CD1-CD1 3.78Å; P123-L515 HydrophobicContact CB-CD1 3.95Å; P123-L515 HydrophobicContact CB-CG 4.04Å; I126-L515 HydrophobicContact CB-CD2 3.92Å; I126-L515 HydrophobicContact CG2-CD2 3.65Å; I127-L515 HydrophobicContact CD1-CB 4.37Å; I127-L515 HydrophobicContact CD1-CD2 4.28Å; I127-L515 HydrophobicContact CD1-CG 4.18Å; I127-L515 HydrophobicContact CG1-CB 4.35Å; I127-L515 HydrophobicContact CG1-CD2 3.56Å; I127-L515 HydrophobicContact CG1-CG 4Å; W130-L515 HydrophobicContact CE3-CD2 4.07Å; W130-L515 HydrophobicContact CH2-CD2 4.22Å; W130-L515 HydrophobicContact CZ3-CD2 3.69Å; A511-L515 WeakPolarHBondContact O-CB 3.46Å; A511-L515 PolarHBondContact O-N 3.05Å; E512-L515 PolarHBondContact O-N 3.25Å; L515-V517 VanDerWaalsContact C-N 3.32Å
516	R	93.4	Very high	92.8	Very high	130 Å²	130	60.8 Å²	60.8	49%	0.491	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.2	173.9	-72.6	169.6	173.3	-149.2	-3	113.6	I127 E512 V513 I514 D518	I127-R516 HydrophobicContact CD1-CG 3.51Å; E512-R516 VanDerWaalsContact O-CG 3.27Å; E512-R516 WeakPolarHBondContact O-CG 3.4Å; E512-R516 PolarHBondContact O-N 2.97Å; E512-R516 IonicContact OE1-CZ 3.11Å; E512-R516 IonicContact OE1-NE 3.2Å; E512-R516 PolarHBondContact OE1-NE 2.88Å; E512-R516 IonicContact OE1-NH2 2.62Å; E512-R516 PolarHBondContact OE1-NH2 3.17Å; V513-R516 PolarHBondContact O-N 3.48Å; I514-R516 VanDerWaalsContact C-N 3.25Å; I514-R516 PolarHBondContact O-N 3.23Å; R516-D518 PolarHBondContact O-N 3.42Å
517	V	92.9	Very high	91.9	Very high	48 Å²	48	69.9 Å²	69.9	29%	0.291	36%	0.357	S	S	.	.			trans	-73.1	117.3	-176.7	-177.1	0	0	0	0	109.9	I514 L515 I520	I514-V517 WeakPolarHBondContact O-CB 3.49Å; I514-V517 PolarHBondContact O-N 3.42Å; I514-V517 VanDerWaalsContact O-N 3.12Å; L515-V517 VanDerWaalsContact C-N 3.32Å; V517-I520 HydrophobicContact CG1-CG1 3.94Å
518	D	93.4	Very high	90.9	Very high	103 Å²	103	81.5 Å²	81.5	55%	0.551	40%	0.401	S	S	*	.			trans	-113	-11.7	175.3	69.6	-27.6	0	0	0	113.2	A21 R516	A21-D518 WeakPolarHBondContact CA-O 3.35Å; A21-D518 PolarHBondContact N-O 2.93Å; R516-D518 PolarHBondContact O-N 3.42Å
519	N	93.1	Very high	90	Very high	55 Å²	55	86.4 Å²	86.4	29%	0.294	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	133.3	178.7	-162.4	-16.1	0	0	0	110.7	E18 E19	E18-N519 VanDerWaalsContact CG-OD1 3.32Å; E18-N519 WeakPolarHBondContact CG-OD1 3.37Å; E18-N519 PolarHBondContact OE1-ND2 3.39Å; E19-N519 WeakPolarHBondContact O-CA 3.32Å; E19-N519 PolarHBondContact O-OD1 3.02Å
520	I	92.3	Very high	88.8	Confident	14 Å²	14	84.7 Å²	84.7	7%	0.072	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.9	175.3	-58.5	170.8	0	0	0	108	E19 A24 T27 P79 V517 K522	E19-I520 HydrophobicContact CB-CB 4.3Å; E19-I520 PolarHBondContact N-O 3.17Å; E19-I520 PolarHBondContact O-N 3.38Å; A24-I520 HydrophobicContact CB-CD1 4.2Å; A24-I520 HydrophobicContact CB-CG1 3.99Å; T27-I520 HydrophobicContact CG2-CD1 4.26Å; P79-I520 HydrophobicContact CG-CD1 4.06Å; P79-I520 HydrophobicContact CG-CG1 4.48Å; P79-I520 HydrophobicContact CG-CG2 4.01Å; V517-I520 HydrophobicContact CG1-CG1 3.94Å; I520-K522 HydrophobicContact CG2-CG 4.41Å
521	I	92	Very high	87.7	Confident	98 Å²	98	91.1 Å²	91.1	50%	0.503	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.2	178.2	-58.4	169.8	0	0	0	108.6	F12 E18	F12-I521 HydrophobicContact CE1-CG2 3.99Å; F12-I521 HydrophobicContact CZ-CD1 4.36Å; F12-I521 HydrophobicContact CZ-CG2 4.43Å; E18-I521 HydrophobicContact CG-CG1 4.19Å
522	K	90.3	Very high	86.4	Confident	86 Å²	86	98.3 Å²	98.3	37%	0.374	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	174.7	-64.4	175.8	-167.1	151	0	109.4	A16 D17 E19 I520	A16-K522 VanDerWaalsContact CA-O 3.22Å; A16-K522 WeakPolarHBondContact CA-O 3.24Å; A16-K522 WeakPolarHBondContact CB-O 3.41Å; D17-K522 HydrophobicContact CB-CB 4.3Å; D17-K522 PolarHBondContact N-O 3.28Å; D17-K522 PolarHBondContact O-N 2.87Å; E19-K522 IonicContact OE1-NZ 3.04Å; E19-K522 PolarHBondContact OE1-NZ 3.48Å; I520-K522 HydrophobicContact CG2-CG 4.41Å
523	A	90.7	Very high	85.1	Confident	87 Å²	87	103.8 Å²	103.8	72%	0.719	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-69.5	150.8	171.8	0	0	0	0	0	110.8
524	A	86.1	Confident	83.5	Confident	46 Å²	46	105.8 Å²	105.8	38%	0.38	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-58.2	128.1	176	0	0	0	0	0	110.4	G15	G15-A524 WeakPolarHBondContact O-CA 3.45Å
525	P	84.6	Confident	81.8	Confident	107 Å²	107	115.1 Å²	115.1	70%	0.695	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-61.1	143.9	-179	24.7	-33.2	0	0	0	110.1	K527	P525-K527 PolarHBondContact O-N 3.48Å; P525-K527 VanDerWaalsContact O-N 3.08Å
526	R	86.7	Confident	81.2	Confident	240 Å²	240	120.7 Å²	120.7	91%	0.906	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-60.1	117.8	178.4	-166.1	178.3	-163.1	174.1	4.2	108.6	R528	R526-R528 PolarHBondContact O-N 3.38Å; R526-R528 VanDerWaalsContact O-N 3.14Å
527	K	77.9	Confident	80.6	Confident	193 Å²	193	120.2 Å²	120.2	84%	0.839	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-59.9	119.8	173.9	-65.4	-172.1	178.1	-176.2	0	108.1	P525 V529	P525-K527 PolarHBondContact O-N 3.48Å; P525-K527 VanDerWaalsContact O-N 3.08Å; K527-V529 PolarHBondContact O-N 3.39Å; K527-V529 VanDerWaalsContact O-N 3.15Å
528	R	74.9	Confident	79.9	Confident	245 Å²	245	124.2 Å²	124.2	93%	0.925	66%	0.655	S	S	*	*			trans	-65.9	112.4	166.7	-68.9	-175.1	179.2	-176.9	-0.1	106.3	R526	R526-R528 PolarHBondContact O-N 3.38Å; R526-R528 VanDerWaalsContact O-N 3.14Å
529	V	76.6	Confident	79.1	Confident	116 Å²	116	125.5 Å²	125.5	70%	0.703	66%	0.661	S	S	*	*			trans	-62.5	134.5	168.8	-172.2	0	0	0	0	105.7	K527 D531	K527-V529 PolarHBondContact O-N 3.39Å; K527-V529 VanDerWaalsContact O-N 3.15Å; V529-D531 PolarHBondContact O-N 3.13Å
530	P	71.3	Confident	78.2	Confident	88 Å²	88	129.9 Å²	129.9	57%	0.571	68%	0.684	S	S	*	*			trans	-51.6	128.9	171	-22.4	33	0	0	0	108.1	H532	P530-H532 PolarHBondContact O-CD2 3.31Å; P530-H532 PolarHBondContact O-N 3.05Å
531	D	72.5	Confident	77.3	Confident	135 Å²	135	137.6 Å²	137.6	72%	0.722	73%	0.725	S	S	*	*			trans	-65.8	104.7	178.1	-148.7	-7.2	0	0	0	107	V529 H533	V529-D531 PolarHBondContact O-N 3.13Å; D531-H533 PolarHBondContact O-N 3.22Å; D531-H533 IonicContact OD1-CD2 3.66Å; D531-H533 PolarHBondContact OD1-CD2 3.16Å; D531-H533 IonicContact OD1-CG 2.64Å
532	H	66.6	Low	76.2	Confident	152 Å²	152	140.4 Å²	140.4	70%	0.704	74%	0.741	S	S	*	*			trans	-86.6	10.1	-177.5	-72.8	-57.9	0	0	0	111.9	P530 P534	P530-H532 PolarHBondContact O-CD2 3.31Å; P530-H532 PolarHBondContact O-N 3.05Å; H532-P534 VanDerWaalsContact O-CD 3.28Å; H532-P534 WeakPolarHBondContact O-CD 3.4Å
533	H	67.8	Low	75.1	Confident	149 Å²	149	144.6 Å²	144.6	69%	0.69	77%	0.769	S	S	*	*			trans	-62.6	117.7	166.4	-72.6	-55.9	0	0	0	108.4	D531 C535	D531-H533 PolarHBondContact O-N 3.22Å; D531-H533 IonicContact OD1-CD2 3.66Å; D531-H533 PolarHBondContact OD1-CD2 3.16Å; D531-H533 IonicContact OD1-CG 2.64Å; H533-C535 PolarHBondContact O-N 2.7Å
534	P	62	Low	73.8	Confident	121 Å²	121	149.4 Å²	149.4	79%	0.786	77%	0.773	S	S	*	*			trans	-59.3	124.9	169.5	-8.6	21.7	0	0	0	107.2	H532	H532-P534 VanDerWaalsContact O-CD 3.28Å; H532-P534 WeakPolarHBondContact O-CD 3.4Å
535	C	59.2	Low	72.7	Confident	201 Å²	201	158.8 Å²	158.8	100%	1.358	81%	0.809	S	S	*	*			trans	-55.6	0	165.9	-58	0	0	0	0	111	H533	H533-C535 PolarHBondContact O-N 2.7Å

Retrieved 535 of 535 residues in 2760.5 ms (Link to these results)

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