A0A096MNR5_PAPAN Loading...

Kelch like family member 32

AlphaFold DB , UniProt , Accession A0A096MNR5, Species PAPAN (Papio anubis, Olive baboon), Gene KLHL32, Length 620 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	28.8	Very low	46.9	Very low	231 Å²	231	135.5 Å²	135.5	100%	1.138	70%	0.704	S	S	*	*				0	118.5	0	-69.8	-75	-170.8	0	0	105.9
2	P	33.2	Very low	47.7	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	71%	0.705	S	S	*	*			trans	-65.7	138.5	174.6	0.5	15.1	0	0	0	108.3	E4	P2-E4 PolarHBondContact O-N 2.73Å
3	S	38.3	Very low	48.4	Very low	73 Å²	73	137.2 Å²	137.2	51%	0.51	71%	0.71	S	S	.	*			trans	-62	115.9	176.2	49.7	0	0	0	0	109.5	R5 E22	S3-R5 PolarHBondContact O-N 3.31Å; S3-E22 PolarHBondContact OG-OE1 3.33Å
4	E	41.1	Very low	50	Low	199 Å²	199	134.1 Å²	134.1	93%	0.93	70%	0.7	S	S	*	*			trans	-67.8	98.4	174.2	-76.8	-176.1	158.6	0	0	109.3	P2	P2-E4 PolarHBondContact O-N 2.73Å
5	R	52.5	Low	51.4	Low	222 Å²	222	129.8 Å²	129.8	84%	0.838	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-79.7	131.7	162.3	-83.3	-175.5	174.1	-178	0.7	109.1	S3 L7	S3-R5 PolarHBondContact O-N 3.31Å; R5-L7 PolarHBondContact O-N 3.17Å
6	C	47.9	Very low	52.5	Low	134 Å²	134	131.1 Å²	131.1	91%	0.905	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-53.2	122.3	173.9	-96	0	0	0	0	110.7
7	L	51.3	Low	53.8	Low	97 Å²	97	135.4 Å²	135.4	51%	0.508	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-60.9	134.1	178.3	-69.9	161.5	0	0	0	110.5	R5 E11	R5-L7 PolarHBondContact O-N 3.17Å; L7-E11 HydrophobicContact CD2-CB 4.32Å
8	S	57.9	Low	55	Low	55 Å²	55	136.4 Å²	136.4	39%	0.385	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-74	149.8	172.3	68	0	0	0	0	110.5	Q10 E11	S8-Q10 PolarHBondContact O-N 2.6Å; S8-E11 PolarHBondContact N-OE2 3.34Å; S8-E11 PolarHBondContact O-N 3.39Å; S8-E11 WeakPolarHBondContact OG-CG 3.16Å; S8-E11 PolarHBondContact OG-OE2 3.39Å
9	I	57.2	Low	56.4	Low	142 Å²	142	135.4 Å²	135.4	73%	0.728	72%	0.715	S	S	*	*	H	α-helix	trans	-57.6	-25.8	-178.9	-65.3	169.2	0	0	0	111.9	L13	I9-L13 HydrophobicContact CG2-CD1 4.5Å
10	Q	53.5	Low	57.5	Low	159 Å²	159	135.9 Å²	135.9	74%	0.743	71%	0.713	S	S	*	*	H	α-helix	trans	-69.5	-35.9	174.5	-96.6	174.9	-32.4	0	0	113.7	S8 M12 L13 T14	S8-Q10 PolarHBondContact O-N 2.6Å; Q10-M12 VanDerWaalsContact C-N 3.29Å; Q10-M12 PolarHBondContact O-N 2.96Å; Q10-L13 PolarHBondContact O-N 3.31Å; Q10-T14 PolarHBondContact O-OG1 3.34Å
11	E	53.9	Low	58.8	Low	55 Å²	55	132.4 Å²	132.4	26%	0.257	70%	0.701	S	S	.	*	H	α-helix	trans	-71.4	-26	-179.9	-70.8	167	134.8	0	0	112.2	L7 S8	L7-E11 HydrophobicContact CD2-CB 4.32Å; S8-E11 PolarHBondContact N-OE2 3.34Å; S8-E11 PolarHBondContact O-N 3.39Å; S8-E11 WeakPolarHBondContact OG-CG 3.16Å; S8-E11 PolarHBondContact OG-OE2 3.39Å
12	M	57.4	Low	61.4	Low	147 Å²	147	127.8 Å²	127.8	72%	0.724	68%	0.676	S	S	*	*	H	α-helix	trans	-74.3	-25.1	176.4	-70.1	-175.3	62.4	0	0	113.6	Q10	Q10-M12 VanDerWaalsContact C-N 3.29Å; Q10-M12 PolarHBondContact O-N 2.96Å
13	L	56.3	Low	64.1	Low	147 Å²	147	125.4 Å²	125.4	77%	0.77	66%	0.662	S	S	*	*	H	α-helix	trans	-90.9	-22.8	-175.6	-79.2	159.3	0	0	0	113.8	I9 Q10	I9-L13 HydrophobicContact CG2-CD1 4.5Å; Q10-L13 PolarHBondContact O-N 3.31Å
14	T	70.2	Confident	66.5	Low	93 Å²	93	127.2 Å²	127.2	57%	0.571	66%	0.662	S	S	*	*	H	α-helix	trans	-104.8	-14.4	-175.1	60.2	0	0	0	0	114.2	Q10 Q16	Q10-T14 PolarHBondContact O-OG1 3.34Å; T14-Q16 PolarHBondContact O-N 3.3Å
15	G	71.9	Confident	68.7	Low	70 Å²	70	122.6 Å²	122.6	72%	0.722	64%	0.644	S	S	*	*			trans	72.5	2.9	-176.9	0	0	0	0	0	114.8
16	Q	67.9	Low	70.3	Confident	150 Å²	150	117.6 Å²	117.6	70%	0.701	63%	0.634	S	S	*	*			trans	-88.4	128.8	176.1	-65.5	-178.8	-8.9	0	0	109.8	T14	T14-Q16 PolarHBondContact O-N 3.3Å
17	R	74.4	Confident	72.3	Confident	204 Å²	204	114.5 Å²	114.5	77%	0.77	61%	0.614	S	S	*	*			trans	-112.4	123	174.3	-69.2	-176.5	-179.5	-177.7	-0.4	109.6	C19	R17-C19 PolarHBondContact O-N 3.02Å
18	L	75.6	Confident	74.2	Confident	154 Å²	154	113 Å²	113	81%	0.806	61%	0.608	S	S	*	*			trans	-84.1	107.1	173.4	-172.9	68.9	0	0	0	109.4
19	C	81.8	Confident	75.8	Confident	117 Å²	117	113.2 Å²	113.2	79%	0.791	61%	0.605	S	S	*	*			trans	-94.5	123.7	174.6	-61.9	0	0	0	0	109.8	R17	R17-C19 PolarHBondContact O-N 3.02Å
20	H	78.8	Confident	77.4	Confident	145 Å²	145	109.2 Å²	109.2	67%	0.671	59%	0.594	S	S	*	*			trans	-114.8	134.1	177.6	-176.9	74.1	0	0	0	110.4
21	S	84.7	Confident	79.2	Confident	64 Å²	64	104 Å²	104	45%	0.448	58%	0.577	S	S	.	*			trans	-100.4	115.8	172.8	176.9	0	0	0	0	109.2	S23	S21-S23 VanDerWaalsContact C-N 3.29Å; S21-S23 PolarHBondContact O-N 3.36Å
22	E	84.4	Confident	81	Confident	134 Å²	134	103.6 Å²	103.6	63%	0.626	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-28.3	-178	-65.7	177.4	178.4	0	0	112.7	S3	S3-E22 PolarHBondContact OG-OE1 3.33Å
23	S	88.4	Confident	82.7	Confident	72 Å²	72	98.1 Å²	98.1	50%	0.503	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	-5.8	-174.9	65.8	0	0	0	0	114.8	S21 S27	S21-S23 VanDerWaalsContact C-N 3.29Å; S21-S23 PolarHBondContact O-N 3.36Å; S23-S27 WeakPolarHBondContact O-CB 3.47Å; S23-S27 PolarHBondContact O-N 3.39Å; S23-S27 VanDerWaalsContact O-N 3.1Å; S23-S27 PolarHBondContact O-OG 3.33Å
24	H	89.4	Confident	84.4	Confident	111 Å²	111	96.3 Å²	96.3	51%	0.514	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-45.6	-172.6	-179.8	62.1	0	0	0	111.9	D26 S27 V28	H24-D26 PolarHBondContact O-N 2.73Å; H24-S27 PolarHBondContact O-N 3Å; H24-V28 WeakPolarHBondContact O-CG2 3.22Å; H24-V28 PolarHBondContact O-N 2.94Å
25	N	86.6	Confident	85.5	Confident	102 Å²	102	94.8 Å²	94.8	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-60.4	-49	-178.1	-63.6	-13.1	0	0	0	111.5	S27 V28 L29	N25-S27 VanDerWaalsContact C-N 3.33Å; N25-S27 PolarHBondContact O-N 2.86Å; N25-V28 PolarHBondContact O-N 3.24Å; N25-L29 PolarHBondContact O-N 3.24Å
26	D	87	Confident	86.5	Confident	118 Å²	118	93.9 Å²	93.9	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-63.9	-39.7	-180	-60.3	-17.8	0	0	0	111.6	H24 V28 L29 A30	H24-D26 PolarHBondContact O-N 2.73Å; D26-V28 VanDerWaalsContact C-N 3.34Å; D26-V28 PolarHBondContact O-N 2.99Å; D26-L29 PolarHBondContact O-N 3.36Å; D26-A30 VanDerWaalsContact O-CB 3.24Å; D26-A30 WeakPolarHBondContact O-CB 3.3Å; D26-A30 PolarHBondContact O-N 2.92Å
27	S	89.4	Confident	87.6	Confident	69 Å²	69	90.5 Å²	90.5	48%	0.483	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-39	178.5	-57.7	0	0	0	0	111.9	S23 H24 N25 A31	S23-S27 WeakPolarHBondContact O-CB 3.47Å; S23-S27 PolarHBondContact O-N 3.39Å; S23-S27 VanDerWaalsContact O-N 3.1Å; S23-S27 PolarHBondContact O-OG 3.33Å; H24-S27 PolarHBondContact O-N 3Å; N25-S27 VanDerWaalsContact C-N 3.33Å; N25-S27 PolarHBondContact O-N 2.86Å; S27-A31 WeakPolarHBondContact O-CB 3.27Å; S27-A31 PolarHBondContact O-N 3Å
28	V	91.3	Very high	88.3	Confident	64 Å²	64	85.3 Å²	85.3	39%	0.388	48%	0.48	S	S	.	.	H	α-helix	trans	-67.7	-46.8	176.6	171.7	0	0	0	0	110.6	H24 N25 D26 A30 A31 L32	H24-V28 WeakPolarHBondContact O-CG2 3.22Å; H24-V28 PolarHBondContact O-N 2.94Å; N25-V28 PolarHBondContact O-N 3.24Å; D26-V28 VanDerWaalsContact C-N 3.34Å; D26-V28 PolarHBondContact O-N 2.99Å; V28-A30 VanDerWaalsContact C-N 3.34Å; V28-A30 PolarHBondContact O-N 2.71Å; V28-A31 PolarHBondContact O-N 3.25Å; V28-L32 HydrophobicContact CG1-CD1 4.03Å; V28-L32 WeakPolarHBondContact O-CG 3.13Å; V28-L32 PolarHBondContact O-N 2.71Å
29	L	90.7	Very high	88.9	Confident	60 Å²	60	80 Å²	80	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-63	-41.9	179.4	-144.4	84	0	0	0	111.5	N25 D26 A31 L32 N33 Y101	N25-L29 PolarHBondContact O-N 3.24Å; D26-L29 PolarHBondContact O-N 3.36Å; L29-A31 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 3.2Å; L29-N33 PolarHBondContact O-N 3.03Å; L29-Y101 VanDerWaalsContact CD2-C 3.42Å; L29-Y101 WeakPolarHBondContact CD2-O 3.49Å; L29-Y101 VanDerWaalsContact CG-O 3.29Å; L29-Y101 WeakPolarHBondContact CG-O 3.45Å
30	A	90.8	Very high	89.3	Confident	59 Å²	59	78.6 Å²	78.6	49%	0.488	45%	0.447	S	S	.	.	H	α-helix	trans	-61.8	-42.6	174.9	0	0	0	0	0	112.2	D26 V28 N33 Q34	D26-A30 VanDerWaalsContact O-CB 3.24Å; D26-A30 WeakPolarHBondContact O-CB 3.3Å; D26-A30 PolarHBondContact O-N 2.92Å; V28-A30 VanDerWaalsContact C-N 3.34Å; V28-A30 PolarHBondContact O-N 2.71Å; A30-N33 PolarHBondContact O-N 3.27Å; A30-Q34 PolarHBondContact O-N 3.03Å
31	A	91.4	Very high	89.8	Confident	49 Å²	49	78 Å²	78	41%	0.405	45%	0.447	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175.5	0	0	0	0	0	112.1	S27 V28 L29 N33 Q34 Q35	S27-A31 WeakPolarHBondContact O-CB 3.27Å; S27-A31 PolarHBondContact O-N 3Å; V28-A31 PolarHBondContact O-N 3.25Å; L29-A31 PolarHBondContact O-N 3.3Å; A31-N33 VanDerWaalsContact C-N 3.33Å; A31-Q34 PolarHBondContact O-N 3.39Å; A31-Q35 WeakPolarHBondContact O-CG 3.31Å; A31-Q35 PolarHBondContact O-N 2.88Å
32	L	92.9	Very high	90	Very high	47 Å²	47	76.4 Å²	76.4	25%	0.246	44%	0.436	C	S	.	.	H	α-helix	trans	-64.5	-36.7	174.7	-71.6	168.6	0	0	0	112.1	V28 L29 Q35 R36 V59 Y101	V28-L32 HydrophobicContact CG1-CD1 4.03Å; V28-L32 WeakPolarHBondContact O-CG 3.13Å; V28-L32 PolarHBondContact O-N 2.71Å; L29-L32 PolarHBondContact O-N 3.2Å; L32-Q35 PolarHBondContact O-N 3.19Å; L32-R36 WeakPolarHBondContact O-CB 3.34Å; L32-R36 PolarHBondContact O-N 3.25Å; L32-V59 HydrophobicContact CD1-CG2 4.04Å; L32-Y101 HydrophobicContact CB-CD1 4.19Å; L32-Y101 HydrophobicContact CB-CE1 4.13Å
33	N	92.6	Very high	90.4	Very high	31 Å²	31	73.4 Å²	73.4	17%	0.166	42%	0.424	C	S	.	.	H	α-helix	trans	-68.7	-37.2	175.6	-163.7	23.1	0	0	0	112.1	L29 A30 A31 R36 S37 Y101 T102	L29-N33 PolarHBondContact O-N 3.03Å; A30-N33 PolarHBondContact O-N 3.27Å; A31-N33 VanDerWaalsContact C-N 3.33Å; N33-R36 WeakPolarHBondContact O-CB 3.31Å; N33-R36 PolarHBondContact O-N 2.61Å; N33-R36 PolarHBondContact OD1-NE 3.33Å; N33-R36 VanDerWaalsContact OD1-NE 3.13Å; N33-R36 PolarHBondContact OD1-NH2 2.89Å; N33-S37 PolarHBondContact O-N 3.49Å; N33-S37 PolarHBondContact O-OG 3.31Å; N33-Y101 HydrophobicContact CB-CD1 4.08Å; N33-Y101 HydrophobicContact CB-CG 4.37Å; N33-T102 WeakPolarHBondContact ND2-CG2 3.48Å
34	Q	92.5	Very high	90.5	Very high	109 Å²	109	70.1 Å²	70.1	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-47.4	173.7	-174.7	59.3	47.2	0	0	110.8	A30 A31 R36 S37 D38	A30-Q34 PolarHBondContact O-N 3.03Å; A31-Q34 PolarHBondContact O-N 3.39Å; Q34-R36 VanDerWaalsContact C-N 3.28Å; Q34-R36 PolarHBondContact O-N 3.36Å; Q34-S37 WeakPolarHBondContact O-CB 3.46Å; Q34-S37 PolarHBondContact O-N 3.41Å; Q34-D38 PolarHBondContact NE2-OD1 2.96Å; Q34-D38 VanDerWaalsContact NE2-OD1 3.17Å; Q34-D38 PolarHBondContact NE2-OD2 3.14Å; Q34-D38 PolarHBondContact O-N 2.91Å
35	Q	92.8	Very high	90.6	Very high	62 Å²	62	65.5 Å²	65.5	29%	0.29	38%	0.381	S	S	.	.	H	α-helix	trans	-56.5	-42.5	175.2	-74	174.6	-1.9	0	0	112.2	A31 L32 S37 D38 G39 I40	A31-Q35 WeakPolarHBondContact O-CG 3.31Å; A31-Q35 PolarHBondContact O-N 2.88Å; L32-Q35 PolarHBondContact O-N 3.19Å; Q35-S37 VanDerWaalsContact C-N 3.34Å; Q35-S37 PolarHBondContact O-N 3.38Å; Q35-D38 CarbonylContact O-C 3.5Å; Q35-D38 PolarHBondContact O-N 2.84Å; Q35-G39 PolarHBondContact O-N 3.43Å; Q35-I40 HydrophobicContact CB-CB 4.43Å; Q35-I40 PolarHBondContact O-N 3.04Å
36	R	92.8	Very high	90.9	Very high	50 Å²	50	60.6 Å²	60.6	19%	0.189	36%	0.355	C	S	.	.	H	α-helix	trans	-58.9	-45	174.9	-175.4	-173	68.1	98.7	-1.2	112.1	L32 N33 Q34 D38 G39 H54 Y101	L32-R36 WeakPolarHBondContact O-CB 3.34Å; L32-R36 PolarHBondContact O-N 3.25Å; N33-R36 WeakPolarHBondContact O-CB 3.31Å; N33-R36 PolarHBondContact O-N 2.61Å; N33-R36 PolarHBondContact OD1-NE 3.33Å; N33-R36 VanDerWaalsContact OD1-NE 3.13Å; N33-R36 PolarHBondContact OD1-NH2 2.89Å; Q34-R36 VanDerWaalsContact C-N 3.28Å; Q34-R36 PolarHBondContact O-N 3.36Å; R36-D38 VanDerWaalsContact C-N 3.3Å; R36-D38 PolarHBondContact O-N 3.44Å; R36-G39 PolarHBondContact O-N 2.85Å; R36-H54 WeakPolarHBondContact CG-O 3.31Å; R36-Y101 HydrophobicContact CB-CE1 4.22Å
37	S	90.6	Very high	91.2	Very high	80 Å²	80	56.4 Å²	56.4	56%	0.559	33%	0.332	S	S	*	.	H	α-helix	trans	-66.2	-34.4	-179.5	-56.9	0	0	0	0	112.1	N33 Q34 Q35 G39	N33-S37 PolarHBondContact O-N 3.49Å; N33-S37 PolarHBondContact O-OG 3.31Å; Q34-S37 WeakPolarHBondContact O-CB 3.46Å; Q34-S37 PolarHBondContact O-N 3.41Å; Q35-S37 VanDerWaalsContact C-N 3.34Å; Q35-S37 PolarHBondContact O-N 3.38Å; S37-G39 VanDerWaalsContact C-N 3.3Å
38	D	90.8	Very high	91.3	Very high	94 Å²	94	53.1 Å²	53.1	50%	0.503	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.6	176.9	-61.4	-29	0	0	0	113	Q34 Q35 R36 I40	Q34-D38 PolarHBondContact NE2-OD1 2.96Å; Q34-D38 VanDerWaalsContact NE2-OD1 3.17Å; Q34-D38 PolarHBondContact NE2-OD2 3.14Å; Q34-D38 PolarHBondContact O-N 2.91Å; Q35-D38 CarbonylContact O-C 3.5Å; Q35-D38 PolarHBondContact O-N 2.84Å; R36-D38 VanDerWaalsContact C-N 3.3Å; R36-D38 PolarHBondContact O-N 3.44Å; D38-I40 HydrophobicContact CB-CD1 3.69Å; D38-I40 HydrophobicContact CB-CG1 3.86Å; D38-I40 PolarHBondContact O-N 3.36Å
39	G	88.1	Confident	91.1	Very high	44 Å²	44	55.7 Å²	55.7	45%	0.454	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.2	-176.2	0	0	0	0	0	114	Q35 R36 S37	Q35-G39 PolarHBondContact O-N 3.43Å; R36-G39 PolarHBondContact O-N 2.85Å; S37-G39 VanDerWaalsContact C-N 3.3Å
40	I	89.1	Confident	90.9	Very high	87 Å²	87	62 Å²	62	45%	0.446	34%	0.344	S	S	.	.			trans	-88.3	132.4	-176.2	-64.7	172.8	0	0	0	109	Q35 D38 C42 H56	Q35-I40 HydrophobicContact CB-CB 4.43Å; Q35-I40 PolarHBondContact O-N 3.04Å; D38-I40 HydrophobicContact CB-CD1 3.69Å; D38-I40 HydrophobicContact CB-CG1 3.86Å; D38-I40 PolarHBondContact O-N 3.36Å; I40-C42 PolarHBondContact O-N 3.18Å; I40-H56 PolarHBondContact O-NE2 3.41Å
41	L	89.8	Confident	90.9	Very high	131 Å²	131	63.8 Å²	63.8	69%	0.686	34%	0.343	S	S	*	.	S	Bend	trans	59.2	11.3	178.2	-60.1	171.3	0	0	0	115.6	D43 H56	L41-D43 PolarHBondContact O-N 3.11Å; L41-H56 PolarHBondContact O-CD2 2.99Å
42	C	89.8	Confident	91	Very high	32 Å²	32	66.9 Å²	66.9	22%	0.216	35%	0.347	C	S	.	.			trans	-68.3	123.4	173.3	-65.3	0	0	0	0	110.1	I40 H54 A55	I40-C42 PolarHBondContact O-N 3.18Å; C42-H54 HydrophobicContact CB-CB 4Å; C42-A55 WeakPolarHBondContact CA-O 3.38Å
43	D	91.1	Very high	91.1	Very high	71 Å²	71	65.7 Å²	65.7	38%	0.38	34%	0.34	S	S	.	.			trans	-111.7	7.8	-174.5	60.7	-6.1	0	0	0	112.4	L41 A55 H56 K57	L41-D43 PolarHBondContact O-N 3.11Å; D43-A55 PolarHBondContact N-O 2.86Å; D43-H56 WeakPolarHBondContact OD1-CA 3.37Å; D43-K57 VanDerWaalsContact O-CE 3.22Å; D43-K57 WeakPolarHBondContact O-CE 3.48Å; D43-K57 WeakPolarHBondContact OD1-CG 3.45Å; D43-K57 PolarHBondContact OD1-N 3.32Å; D43-K57 WeakPolarHBondContact OD2-CB 3.07Å
44	I	91.1	Very high	91.1	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	143.1	172.9	-170.7	70.7	0	0	0	111.6	L46 A55 K57 L60 F71 A80 V83	I44-L46 HydrophobicContact CG1-CD2 4.06Å; I44-A55 HydrophobicContact CG2-CB 4.05Å; I44-A55 WeakPolarHBondContact CG2-O 3.34Å; I44-A55 PolarHBondContact N-O 2.88Å; I44-A55 PolarHBondContact O-N 2.98Å; I44-K57 HydrophobicContact CB-CG 3.89Å; I44-K57 HydrophobicContact CG2-CG 3.92Å; I44-L60 HydrophobicContact CG2-CD1 4.18Å; I44-F71 HydrophobicContact CD1-CE1 4.28Å; I44-F71 HydrophobicContact CG1-CE1 4.31Å; I44-F71 HydrophobicContact CG1-CZ 4.27Å; I44-A80 WeakPolarHBondContact CD1-O 3.46Å; I44-V83 HydrophobicContact CD1-CB 4.37Å; I44-V83 HydrophobicContact CD1-CG2 3.8Å
45	T	92.6	Very high	91.2	Very high	14 Å²	14	63.6 Å²	63.6	9%	0.086	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.5	166.4	-64.3	0	0	0	0	110.1	K52 F53 H54 D81 E82 V83	T45-K52 HydrophobicContact CG2-CB 3.94Å; T45-K52 HydrophobicContact CG2-CD 4.18Å; T45-K52 HydrophobicContact CG2-CG 4.33Å; T45-F53 CarbonylContact C-O 3.55Å; T45-F53 WeakPolarHBondContact CA-O 3.38Å; T45-H54 PolarHBondContact OG1-CE1 3.5Å; T45-H54 VanDerWaalsContact OG1-CE1 3.24Å; T45-H54 PolarHBondContact OG1-ND1 3.34Å; T45-D81 PolarHBondContact N-O 3.41Å; T45-E82 CarbonylContact O-C 3.51Å; T45-E82 VanDerWaalsContact O-CA 3.31Å; T45-E82 WeakPolarHBondContact O-CA 3.4Å; T45-V83 PolarHBondContact O-N 2.89Å
46	L	92.7	Very high	91.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135	174.8	-59.5	176.2	0	0	0	109.8	I44 K52 F53 L60 F67 V83 L85 L93 L97	I44-L46 HydrophobicContact CG1-CD2 4.06Å; L46-K52 CarbonylContact O-C 3.56Å; L46-F53 HydrophobicContact CB-CB 4.49Å; L46-F53 PolarHBondContact N-O 2.91Å; L46-F53 PolarHBondContact O-N 3.19Å; L46-L60 HydrophobicContact CD1-CD1 3.89Å; L46-F67 HydrophobicContact CD1-CE1 4.14Å; L46-F67 HydrophobicContact CD1-CZ 3.84Å; L46-F67 HydrophobicContact CD2-CE1 4.15Å; L46-V83 CarbonylContact C-O 3.58Å; L46-V83 WeakPolarHBondContact CA-O 3.31Å; L46-V83 HydrophobicContact CD2-CB 4.18Å; L46-V83 HydrophobicContact CD2-CG1 4.46Å; L46-L85 HydrophobicContact CB-CD1 4.19Å; L46-L85 HydrophobicContact CD1-CD1 4.08Å; L46-L85 HydrophobicContact CD2-CD1 4.11Å; L46-L85 HydrophobicContact CD2-CG 4.37Å; L46-L85 HydrophobicContact CG-CD1 4.36Å; L46-L93 HydrophobicContact CB-CD2 4.1Å; L46-L93 HydrophobicContact CD1-CD1 4.27Å; L46-L97 HydrophobicContact CD1-CD2 4.22Å
47	I	92.4	Very high	91.1	Very high	29 Å²	29	60.8 Å²	60.8	15%	0.149	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.1	178.5	-50.8	-177.9	0	0	0	108.7	Q51 K52 E82 V83 N84 L85	I47-Q51 WeakPolarHBondContact CA-O 3.2Å; I47-K52 HydrophobicContact CD1-CG 4.47Å; I47-K52 HydrophobicContact CG1-CG 4.2Å; I47-E82 HydrophobicContact CD1-CB 4.37Å; I47-V83 PolarHBondContact N-O 2.97Å; I47-N84 PolarHBondContact O-OD1 3.39Å; I47-L85 PolarHBondContact O-N 3.37Å
48	A	92.6	Very high	91.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.9	172.6	0	0	0	0	0	109.2	E50 Q51 L93	A48-E50 PolarHBondContact O-N 3.21Å; A48-E50 VanDerWaalsContact O-N 3.14Å; A48-Q51 PolarHBondContact N-O 3.43Å; A48-Q51 PolarHBondContact O-N 2.82Å; A48-L93 HydrophobicContact CB-CB 4.32Å; A48-L93 HydrophobicContact CB-CD2 3.62Å
49	E	86.6	Confident	91.2	Very high	118 Å²	118	56.9 Å²	56.9	55%	0.551	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.3	47.1	180	-60.1	177.8	145	0	0	113.7	Q51 T89 S90	E49-Q51 PolarHBondContact O-N 2.8Å; E49-T89 WeakPolarHBondContact OE2-CA 3.38Å; E49-T89 WeakPolarHBondContact OE2-CB 3.31Å; E49-S90 PolarHBondContact OE2-N 3.4Å; E49-S90 PolarHBondContact OE2-OG 2.86Å; E49-S90 VanDerWaalsContact OE2-OG 3.13Å
50	E	85.1	Confident	91.4	Very high	193 Å²	193	54.8 Å²	54.8	90%	0.902	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-3.7	-179.2	-47	-176	167.2	0	0	116.3	A48	A48-E50 PolarHBondContact O-N 3.21Å; A48-E50 VanDerWaalsContact O-N 3.14Å
51	Q	92.8	Very high	91.5	Very high	96 Å²	96	51.8 Å²	51.8	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	134.3	176.9	-152.9	168.9	49.4	0	0	111.5	I47 A48 E49 F53	I47-Q51 WeakPolarHBondContact CA-O 3.2Å; A48-Q51 PolarHBondContact N-O 3.43Å; A48-Q51 PolarHBondContact O-N 2.82Å; E49-Q51 PolarHBondContact O-N 2.8Å; Q51-F53 HydrophobicContact CB-CE2 3.85Å; Q51-F53 HydrophobicContact CB-CZ 4.16Å; Q51-F53 HydrophobicContact CG-CE2 4.12Å; Q51-F53 HydrophobicContact CG-CZ 4.01Å
52	K	92.9	Very high	91.6	Very high	114 Å²	114	49.8 Å²	49.8	50%	0.496	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.9	-179.6	-61.7	-163.6	171.5	-162.4	0	111.4	T45 L46 I47 E82	T45-K52 HydrophobicContact CG2-CB 3.94Å; T45-K52 HydrophobicContact CG2-CD 4.18Å; T45-K52 HydrophobicContact CG2-CG 4.33Å; L46-K52 CarbonylContact O-C 3.56Å; I47-K52 HydrophobicContact CD1-CG 4.47Å; I47-K52 HydrophobicContact CG1-CG 4.2Å; K52-E82 IonicContact NZ-OE1 2.95Å; K52-E82 PolarHBondContact NZ-OE1 3.43Å; K52-E82 IonicContact NZ-OE2 3.53Å; K52-E82 PolarHBondContact NZ-OE2 3.1Å
53	F	94.1	Very high	91.6	Very high	23 Å²	23	50.5 Å²	50.5	10%	0.101	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.6	179.1	-59.8	-90	0	0	0	110.8	T45 L46 Q51 S90 L93 K94 L97	T45-F53 CarbonylContact C-O 3.55Å; T45-F53 WeakPolarHBondContact CA-O 3.38Å; L46-F53 HydrophobicContact CB-CB 4.49Å; L46-F53 PolarHBondContact N-O 2.91Å; L46-F53 PolarHBondContact O-N 3.19Å; Q51-F53 HydrophobicContact CB-CE2 3.85Å; Q51-F53 HydrophobicContact CB-CZ 4.16Å; Q51-F53 HydrophobicContact CG-CE2 4.12Å; Q51-F53 HydrophobicContact CG-CZ 4.01Å; F53-S90 WeakPolarHBondContact CZ-O 3.42Å; F53-L93 HydrophobicContact CD2-CD2 3.58Å; F53-L93 HydrophobicContact CD2-CG 4.27Å; F53-L93 HydrophobicContact CE2-CD2 3.9Å; F53-L93 HydrophobicContact CE2-CG 4.42Å; F53-L93 HydrophobicContact CG-CD2 4.29Å; F53-K94 HydrophobicContact CE1-CB 3.84Å; F53-K94 HydrophobicContact CE1-CG 4.25Å; F53-K94 HydrophobicContact CZ-CB 4.2Å; F53-L97 HydrophobicContact CB-CD1 3.57Å; F53-L97 HydrophobicContact CD1-CD1 4.03Å; F53-L97 HydrophobicContact CG-CD1 3.92Å
54	H	93.3	Very high	91.7	Very high	95 Å²	95	47.2 Å²	47.2	44%	0.44	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.3	173.9	-64.1	-74	0	0	0	110.9	R36 C42 T45	R36-H54 WeakPolarHBondContact CG-O 3.31Å; C42-H54 HydrophobicContact CB-CB 4Å; T45-H54 PolarHBondContact OG1-CE1 3.5Å; T45-H54 VanDerWaalsContact OG1-CE1 3.24Å; T45-H54 PolarHBondContact OG1-ND1 3.34Å
55	A	94.1	Very high	91.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	173.4	178.8	0	0	0	0	0	112.1	C42 D43 I44 L60 L97	C42-A55 WeakPolarHBondContact CA-O 3.38Å; D43-A55 PolarHBondContact N-O 2.86Å; I44-A55 HydrophobicContact CG2-CB 4.05Å; I44-A55 WeakPolarHBondContact CG2-O 3.34Å; I44-A55 PolarHBondContact N-O 2.88Å; I44-A55 PolarHBondContact O-N 2.98Å; A55-L60 HydrophobicContact CB-CD1 3.84Å; A55-L60 HydrophobicContact CB-CG 4.31Å; A55-L97 HydrophobicContact CB-CD2 4.36Å
56	H	93.8	Very high	91.7	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.065	28%	0.284	C	S	.	.			trans	-104.1	124.6	172.9	-50.6	92.7	0	0	0	110.6	I40 L41 D43 A58 V59 L60 Y101	I40-H56 PolarHBondContact O-NE2 3.41Å; L41-H56 PolarHBondContact O-CD2 2.99Å; D43-H56 WeakPolarHBondContact OD1-CA 3.37Å; H56-A58 PolarHBondContact O-N 3.47Å; H56-V59 HydrophobicContact CB-CB 4.41Å; H56-V59 HydrophobicContact CB-CG2 4.07Å; H56-V59 PolarHBondContact O-N 3.04Å; H56-L60 WeakPolarHBondContact O-CG 3.36Å; H56-L60 PolarHBondContact O-N 3.06Å; H56-Y101 WeakPolarHBondContact CB-OH 3.49Å; H56-Y101 PolarHBondContact N-OH 3.39Å; H56-Y101 AromaticContact ND1-CE1 3.49Å; H56-Y101 WeakPolarHBondContact ND1-CE1 3.46Å; H56-Y101 AromaticContact ND1-CZ 3.56Å; H56-Y101 PolarHBondContact ND1-OH 3.5Å
57	K	90.9	Very high	91.6	Very high	39 Å²	39	53.3 Å²	53.3	17%	0.17	29%	0.285	C	S	.	.	H	α-helix	trans	-54.2	-40.2	177.4	-70.4	179	175.1	174.6	0	111.4	D43 I44 V59 L60 A61 F71 S78 A80	D43-K57 VanDerWaalsContact O-CE 3.22Å; D43-K57 WeakPolarHBondContact O-CE 3.48Å; D43-K57 WeakPolarHBondContact OD1-CG 3.45Å; D43-K57 PolarHBondContact OD1-N 3.32Å; D43-K57 WeakPolarHBondContact OD2-CB 3.07Å; I44-K57 HydrophobicContact CB-CG 3.89Å; I44-K57 HydrophobicContact CG2-CG 3.92Å; K57-V59 PolarHBondContact O-N 3.29Å; K57-L60 PolarHBondContact O-N 3.46Å; K57-A61 VanDerWaalsContact O-CB 3.26Å; K57-A61 WeakPolarHBondContact O-CB 3.26Å; K57-A61 PolarHBondContact O-N 2.95Å; K57-F71 HydrophobicContact CB-CD2 3.94Å; K57-F71 HydrophobicContact CB-CE2 3.99Å; K57-F71 HydrophobicContact CB-CG 4.31Å; K57-F71 HydrophobicContact CB-CZ 4.39Å; K57-F71 HydrophobicContact CD-CD1 4.07Å; K57-F71 HydrophobicContact CD-CE1 4.2Å; K57-F71 HydrophobicContact CD-CG 4.39Å; K57-F71 HydrophobicContact CG-CD1 4.1Å; K57-F71 HydrophobicContact CG-CD2 4.15Å; K57-F71 HydrophobicContact CG-CE1 3.89Å; K57-F71 HydrophobicContact CG-CE2 3.97Å; K57-F71 HydrophobicContact CG-CG 4.23Å; K57-F71 HydrophobicContact CG-CZ 3.85Å; K57-S78 PolarHBondContact NZ-O 3.47Å; K57-A80 PolarHBondContact NZ-O 3.04Å
58	A	90.3	Very high	91.5	Very high	75 Å²	75	58.4 Å²	58.4	62%	0.62	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-42	-179.5	0	0	0	0	0	113.4	H56 A62	H56-A58 PolarHBondContact O-N 3.47Å; A58-A62 WeakPolarHBondContact O-CB 3.49Å; A58-A62 PolarHBondContact O-N 3.31Å; A58-A62 VanDerWaalsContact O-N 3.11Å
59	V	92.1	Very high	91.2	Very high	17 Å²	17	60.3 Å²	60.3	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	-69	-45.1	178.9	177.3	0	0	0	0	110.1	L32 H56 K57 A62 C63 Y101	L32-V59 HydrophobicContact CD1-CG2 4.04Å; H56-V59 HydrophobicContact CB-CB 4.41Å; H56-V59 HydrophobicContact CB-CG2 4.07Å; H56-V59 PolarHBondContact O-N 3.04Å; K57-V59 PolarHBondContact O-N 3.29Å; V59-A62 WeakPolarHBondContact O-CB 3.47Å; V59-A62 PolarHBondContact O-N 2.96Å; V59-C63 PolarHBondContact O-N 2.96Å; V59-C63 PolarHBondContact O-SG 3.17Å; V59-C63 VanDerWaalsContact O-SG 3.4Å; V59-Y101 HydrophobicContact CB-CE1 4.15Å; V59-Y101 HydrophobicContact CB-CE2 4.27Å; V59-Y101 HydrophobicContact CG1-CD1 4.27Å; V59-Y101 HydrophobicContact CG1-CD2 4.15Å; V59-Y101 HydrophobicContact CG1-CE1 3.95Å; V59-Y101 HydrophobicContact CG1-CE2 3.79Å; V59-Y101 HydrophobicContact CG1-CG 4.37Å; V59-Y101 HydrophobicContact CG2-CE1 3.87Å
60	L	92.3	Very high	91.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-44.7	179	-65.5	-179.7	0	0	0	112.4	I44 L46 A55 H56 K57 A62 C63 S64 F67 F71 L97	I44-L60 HydrophobicContact CG2-CD1 4.18Å; L46-L60 HydrophobicContact CD1-CD1 3.89Å; A55-L60 HydrophobicContact CB-CD1 3.84Å; A55-L60 HydrophobicContact CB-CG 4.31Å; H56-L60 WeakPolarHBondContact O-CG 3.36Å; H56-L60 PolarHBondContact O-N 3.06Å; K57-L60 PolarHBondContact O-N 3.46Å; L60-A62 PolarHBondContact O-N 2.98Å; L60-C63 PolarHBondContact O-N 3.47Å; L60-C63 PolarHBondContact O-SG 3.25Å; L60-C63 VanDerWaalsContact O-SG 3.41Å; L60-S64 WeakPolarHBondContact O-CB 3.33Å; L60-S64 PolarHBondContact O-N 3.47Å; L60-F67 HydrophobicContact CB-CB 3.89Å; L60-F67 HydrophobicContact CB-CD2 3.72Å; L60-F67 HydrophobicContact CB-CE2 4.4Å; L60-F67 HydrophobicContact CB-CG 3.83Å; L60-F67 HydrophobicContact CD1-CD1 4.47Å; L60-F67 HydrophobicContact CD1-CD2 4.4Å; L60-F67 HydrophobicContact CD1-CE1 4.45Å; L60-F67 HydrophobicContact CD1-CE2 4.38Å; L60-F67 HydrophobicContact CD1-CG 4.46Å; L60-F67 HydrophobicContact CD1-CZ 4.4Å; L60-F67 HydrophobicContact CD2-CD2 4.09Å; L60-F67 HydrophobicContact CD2-CE2 3.98Å; L60-F67 HydrophobicContact CG-CD2 4.28Å; L60-F67 HydrophobicContact CG-CE2 4.48Å; L60-F71 HydrophobicContact CB-CE2 4.06Å; L60-F71 HydrophobicContact CD1-CE2 4.29Å; L60-F71 HydrophobicContact CD1-CZ 4.39Å; L60-L97 HydrophobicContact CD2-CD2 3.55Å
61	A	91.4	Very high	91.2	Very high	23 Å²	23	47.3 Å²	47.3	19%	0.19	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-24.6	176.2	0	0	0	0	0	113.2	K57 R68 F71	K57-A61 VanDerWaalsContact O-CB 3.26Å; K57-A61 WeakPolarHBondContact O-CB 3.26Å; K57-A61 PolarHBondContact O-N 2.95Å; A61-R68 HydrophobicContact CB-CB 4.16Å; A61-R68 HydrophobicContact CB-CG 4.45Å; A61-F71 HydrophobicContact CB-CD2 4.34Å
62	A	91.1	Very high	90.7	Very high	89 Å²	89	46.7 Å²	46.7	74%	0.736	26%	0.263	S	S	*	.	H	α-helix	trans	-76	-34.4	176.5	0	0	0	0	0	112.3	A58 V59 L60	A58-A62 WeakPolarHBondContact O-CB 3.49Å; A58-A62 PolarHBondContact O-N 3.31Å; A58-A62 VanDerWaalsContact O-N 3.11Å; V59-A62 WeakPolarHBondContact O-CB 3.47Å; V59-A62 PolarHBondContact O-N 2.96Å; L60-A62 PolarHBondContact O-N 2.98Å
63	C	91.3	Very high	89.6	Confident	48 Å²	48	46.9 Å²	46.9	32%	0.324	27%	0.269	S	S	.	.	H	α-helix	trans	-98.7	-16.5	-176.1	69.2	0	0	0	0	114.7	V59 L60 L124	V59-C63 PolarHBondContact O-N 2.96Å; V59-C63 PolarHBondContact O-SG 3.17Å; V59-C63 VanDerWaalsContact O-SG 3.4Å; L60-C63 PolarHBondContact O-N 3.47Å; L60-C63 PolarHBondContact O-SG 3.25Å; L60-C63 VanDerWaalsContact O-SG 3.41Å; C63-L124 HydrophobicContact CB-CD2 4.34Å; C63-L124 WeakPolarHBondContact O-CD2 3.33Å
64	S	93.4	Very high	88.1	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.014	31%	0.305	C	S	.	.			trans	-135.8	126.2	-173.3	162.6	0	0	0	0	111.9	L60 Y66 F67 R68 L122	L60-S64 WeakPolarHBondContact O-CB 3.33Å; L60-S64 PolarHBondContact O-N 3.47Å; S64-Y66 VanDerWaalsContact C-N 3.3Å; S64-Y66 PolarHBondContact O-N 3.49Å; S64-Y66 PolarHBondContact OG-N 3.32Å; S64-F67 PolarHBondContact O-N 3.3Å; S64-F67 WeakPolarHBondContact OG-CD2 3.49Å; S64-F67 PolarHBondContact OG-N 3.48Å; S64-F67 VanDerWaalsContact OG-N 3.14Å; S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 2.57Å; S64-L122 WeakPolarHBondContact CB-O 3.2Å; S64-L122 PolarHBondContact OG-O 3.27Å
65	D	90.8	Very high	86.7	Confident	70 Å²	70	52 Å²	52	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-66.5	-33.2	174.5	-77.8	-31.6	0	0	0	112.6	R68 A69 Q123	D65-R68 PolarHBondContact O-N 3.27Å; D65-R68 IonicContact OD1-CZ 3.39Å; D65-R68 IonicContact OD1-NE 2.61Å; D65-R68 PolarHBondContact OD1-NE 2.89Å; D65-R68 IonicContact OD1-NH1 3.04Å; D65-R68 IonicContact OD1-NH2 2.71Å; D65-R68 PolarHBondContact OD1-NH2 3.14Å; D65-A69 VanDerWaalsContact O-CB 3.31Å; D65-A69 WeakPolarHBondContact O-CB 3.47Å; D65-A69 PolarHBondContact O-N 3.4Å; D65-Q123 HydrophobicContact CB-CB 4.5Å
66	Y	91.2	Very high	85.1	Confident	69 Å²	69	58.2 Å²	58.2	27%	0.271	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-52.7	174.3	174.7	-91.3	0	0	0	111	S64 R68 A69 M70 L85 L122	S64-Y66 VanDerWaalsContact C-N 3.3Å; S64-Y66 PolarHBondContact O-N 3.49Å; S64-Y66 PolarHBondContact OG-N 3.32Å; Y66-R68 VanDerWaalsContact C-N 3.35Å; Y66-R68 PolarHBondContact O-N 3.25Å; Y66-A69 PolarHBondContact O-N 3.19Å; Y66-M70 HydrophobicContact CE1-SD 4.04Å; Y66-M70 WeakPolarHBondContact O-CB 3.33Å; Y66-M70 PolarHBondContact O-N 3.41Å; Y66-L85 HydrophobicContact CE1-CD2 4.16Å; Y66-L122 HydrophobicContact CD1-CD2 3.97Å; Y66-L122 HydrophobicContact CE1-CD2 4.09Å
67	F	90.9	Very high	83.8	Confident	4 Å²	4	61 Å²	61	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-67.3	-37.7	179	-73.2	-52.3	0	0	0	111.9	L46 L60 S64 A69 M70 F71 L85 L122	L46-F67 HydrophobicContact CD1-CE1 4.14Å; L46-F67 HydrophobicContact CD1-CZ 3.84Å; L46-F67 HydrophobicContact CD2-CE1 4.15Å; L60-F67 HydrophobicContact CB-CB 3.89Å; L60-F67 HydrophobicContact CB-CD2 3.72Å; L60-F67 HydrophobicContact CB-CE2 4.4Å; L60-F67 HydrophobicContact CB-CG 3.83Å; L60-F67 HydrophobicContact CD1-CD1 4.47Å; L60-F67 HydrophobicContact CD1-CD2 4.4Å; L60-F67 HydrophobicContact CD1-CE1 4.45Å; L60-F67 HydrophobicContact CD1-CE2 4.38Å; L60-F67 HydrophobicContact CD1-CG 4.46Å; L60-F67 HydrophobicContact CD1-CZ 4.4Å; L60-F67 HydrophobicContact CD2-CD2 4.09Å; L60-F67 HydrophobicContact CD2-CE2 3.98Å; L60-F67 HydrophobicContact CG-CD2 4.28Å; L60-F67 HydrophobicContact CG-CE2 4.48Å; S64-F67 PolarHBondContact O-N 3.3Å; S64-F67 WeakPolarHBondContact OG-CD2 3.49Å; S64-F67 PolarHBondContact OG-N 3.48Å; S64-F67 VanDerWaalsContact OG-N 3.14Å; F67-A69 VanDerWaalsContact C-N 3.33Å; F67-A69 PolarHBondContact O-N 3.15Å; F67-M70 HydrophobicContact CD1-CE 3.57Å; F67-M70 HydrophobicContact CE1-CE 3.93Å; F67-M70 PolarHBondContact O-N 3.2Å; F67-F71 HydrophobicContact CB-CD2 4.18Å; F67-F71 HydrophobicContact CB-CE2 3.83Å; F67-F71 HydrophobicContact CD1-CE2 4.07Å; F67-F71 HydrophobicContact CD1-CZ 4.11Å; F67-F71 HydrophobicContact CG-CE2 4.24Å; F67-F71 WeakPolarHBondContact O-CB 3.37Å; F67-F71 WeakPolarHBondContact O-CD2 3.37Å; F67-F71 WeakPolarHBondContact O-CG 3.38Å; F67-F71 PolarHBondContact O-N 2.91Å; F67-L85 HydrophobicContact CE1-CD1 4.41Å; F67-L85 HydrophobicContact CE1-CD2 4.41Å; F67-L85 HydrophobicContact CZ-CD1 4.21Å; F67-L122 HydrophobicContact CE1-CD2 4.21Å; F67-L122 HydrophobicContact CE2-CB 4.41Å; F67-L122 HydrophobicContact CE2-CD1 4.16Å; F67-L122 HydrophobicContact CE2-CD2 3.88Å; F67-L122 HydrophobicContact CE2-CG 4.38Å; F67-L122 HydrophobicContact CZ-CD1 4.25Å; F67-L122 HydrophobicContact CZ-CD2 3.54Å; F67-L122 HydrophobicContact CZ-CG 4.42Å
68	R	89.6	Confident	82.5	Confident	136 Å²	136	61.2 Å²	61.2	51%	0.513	36%	0.364	S	S	.	.	H	α-helix	trans	-58.3	-46.4	174.8	-171.2	170.7	66.9	176.7	1.8	111.6	A61 S64 D65 Y66 S72	A61-R68 HydrophobicContact CB-CB 4.16Å; A61-R68 HydrophobicContact CB-CG 4.45Å; S64-R68 WeakPolarHBondContact O-CB 3.48Å; S64-R68 PolarHBondContact O-N 2.57Å; D65-R68 PolarHBondContact O-N 3.27Å; D65-R68 IonicContact OD1-CZ 3.39Å; D65-R68 IonicContact OD1-NE 2.61Å; D65-R68 PolarHBondContact OD1-NE 2.89Å; D65-R68 IonicContact OD1-NH1 3.04Å; D65-R68 IonicContact OD1-NH2 2.71Å; D65-R68 PolarHBondContact OD1-NH2 3.14Å; Y66-R68 VanDerWaalsContact C-N 3.35Å; Y66-R68 PolarHBondContact O-N 3.25Å; R68-S72 WeakPolarHBondContact O-CB 3.43Å; R68-S72 PolarHBondContact O-N 3.28Å; R68-S72 PolarHBondContact O-OG 3.49Å
69	A	87.5	Confident	81.4	Confident	41 Å²	41	60.9 Å²	60.9	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-63.3	-48.9	176.3	0	0	0	0	0	111.3	D65 Y66 F67 F71 S72 L73	D65-A69 VanDerWaalsContact O-CB 3.31Å; D65-A69 WeakPolarHBondContact O-CB 3.47Å; D65-A69 PolarHBondContact O-N 3.4Å; Y66-A69 PolarHBondContact O-N 3.19Å; F67-A69 VanDerWaalsContact C-N 3.33Å; F67-A69 PolarHBondContact O-N 3.15Å; A69-F71 VanDerWaalsContact C-N 3.32Å; A69-F71 PolarHBondContact O-N 3.34Å; A69-S72 PolarHBondContact O-N 3.24Å; A69-L73 HydrophobicContact CB-CD1 3.82Å; A69-L73 VanDerWaalsContact O-CB 3.27Å; A69-L73 WeakPolarHBondContact O-CB 3.44Å; A69-L73 WeakPolarHBondContact O-CG 3.37Å; A69-L73 PolarHBondContact O-N 3.27Å
70	M	86.3	Confident	80.7	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.039	37%	0.373	C	S	.	.	H	α-helix	trans	-57.6	-41.4	-179.6	-171.5	175.6	80.3	0	0	112.7	Y66 F67 E77 V83	Y66-M70 HydrophobicContact CE1-SD 4.04Å; Y66-M70 WeakPolarHBondContact O-CB 3.33Å; Y66-M70 PolarHBondContact O-N 3.41Å; F67-M70 HydrophobicContact CD1-CE 3.57Å; F67-M70 HydrophobicContact CE1-CE 3.93Å; F67-M70 PolarHBondContact O-N 3.2Å; M70-E77 HydrophobicContact CG-CB 3.91Å; M70-E77 HydrophobicContact SD-CB 4.41Å; M70-V83 HydrophobicContact CE-CG1 4.18Å; M70-V83 HydrophobicContact CE-CG2 4.45Å; M70-V83 HydrophobicContact SD-CG1 4.06Å
71	F	85.8	Confident	80.1	Confident	30 Å²	30	67.1 Å²	67.1	13%	0.132	40%	0.404	C	S	.	.	H	α-helix	trans	-86.2	-25.9	-178.1	-59.1	-42.7	0	0	0	114.2	I44 K57 L60 A61 F67 A69	I44-F71 HydrophobicContact CD1-CE1 4.28Å; I44-F71 HydrophobicContact CG1-CE1 4.31Å; I44-F71 HydrophobicContact CG1-CZ 4.27Å; K57-F71 HydrophobicContact CB-CD2 3.94Å; K57-F71 HydrophobicContact CB-CE2 3.99Å; K57-F71 HydrophobicContact CB-CG 4.31Å; K57-F71 HydrophobicContact CB-CZ 4.39Å; K57-F71 HydrophobicContact CD-CD1 4.07Å; K57-F71 HydrophobicContact CD-CE1 4.2Å; K57-F71 HydrophobicContact CD-CG 4.39Å; K57-F71 HydrophobicContact CG-CD1 4.1Å; K57-F71 HydrophobicContact CG-CD2 4.15Å; K57-F71 HydrophobicContact CG-CE1 3.89Å; K57-F71 HydrophobicContact CG-CE2 3.97Å; K57-F71 HydrophobicContact CG-CG 4.23Å; K57-F71 HydrophobicContact CG-CZ 3.85Å; L60-F71 HydrophobicContact CB-CE2 4.06Å; L60-F71 HydrophobicContact CD1-CE2 4.29Å; L60-F71 HydrophobicContact CD1-CZ 4.39Å; A61-F71 HydrophobicContact CB-CD2 4.34Å; F67-F71 HydrophobicContact CB-CD2 4.18Å; F67-F71 HydrophobicContact CB-CE2 3.83Å; F67-F71 HydrophobicContact CD1-CE2 4.07Å; F67-F71 HydrophobicContact CD1-CZ 4.11Å; F67-F71 HydrophobicContact CG-CE2 4.24Å; F67-F71 WeakPolarHBondContact O-CB 3.37Å; F67-F71 WeakPolarHBondContact O-CD2 3.37Å; F67-F71 WeakPolarHBondContact O-CG 3.38Å; F67-F71 PolarHBondContact O-N 2.91Å; A69-F71 VanDerWaalsContact C-N 3.32Å; A69-F71 PolarHBondContact O-N 3.34Å
72	S	81	Confident	80	Confident	82 Å²	82	70.8 Å²	70.8	57%	0.573	42%	0.418	S	S	*	.	H	α-helix	trans	-96.5	-26.2	-173.9	-50.1	0	0	0	0	114.1	R68 A69 C74	R68-S72 WeakPolarHBondContact O-CB 3.43Å; R68-S72 PolarHBondContact O-N 3.28Å; R68-S72 PolarHBondContact O-OG 3.49Å; A69-S72 PolarHBondContact O-N 3.24Å; S72-C74 PolarHBondContact O-N 2.95Å
73	L	69.7	Low	79.9	Confident	119 Å²	119	67 Å²	67	62%	0.623	39%	0.385	S	S	*	.	S	Bend	trans	-95.3	50.8	-171	-65.5	169	0	0	0	113.1	A69 M75	A69-L73 HydrophobicContact CB-CD1 3.82Å; A69-L73 VanDerWaalsContact O-CB 3.27Å; A69-L73 WeakPolarHBondContact O-CB 3.44Å; A69-L73 WeakPolarHBondContact O-CG 3.37Å; A69-L73 PolarHBondContact O-N 3.27Å; L73-M75 WeakPolarHBondContact O-CG 3.4Å; L73-M75 PolarHBondContact O-N 3.13Å
74	C	63.4	Low	79.8	Confident	126 Å²	126	68.8 Å²	68.8	85%	0.851	39%	0.391	S	S	*	.			trans	37.4	35.2	171.8	-65.6	0	0	0	0	116.4	S72	S72-C74 PolarHBondContact O-N 2.95Å
75	M	63.6	Low	79.6	Confident	99 Å²	99	68.9 Å²	68.9	49%	0.488	39%	0.392	S	S	.	.			trans	-83.5	165.6	178	-61.8	-127.5	-72.3	0	0	109.5	L73 E77 S78	L73-M75 WeakPolarHBondContact O-CG 3.4Å; L73-M75 PolarHBondContact O-N 3.13Å; M75-E77 VanDerWaalsContact CB-OE2 3.31Å; M75-E77 WeakPolarHBondContact CB-OE2 3.18Å; M75-E77 PolarHBondContact O-N 3.41Å; M75-S78 VanDerWaalsContact O-CB 3.3Å; M75-S78 WeakPolarHBondContact O-CB 3.19Å; M75-S78 PolarHBondContact O-N 2.93Å; M75-S78 PolarHBondContact O-OG 3.49Å
76	V	60.8	Low	79.3	Confident	131 Å²	131	72.1 Å²	72.1	79%	0.794	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-58.6	-33.6	-178.5	-179	0	0	0	0	110.7	S78 G79	V76-S78 VanDerWaalsContact C-N 3.26Å; V76-S78 PolarHBondContact O-N 3.03Å; V76-G79 PolarHBondContact O-N 3.32Å
77	E	65.6	Low	78.9	Confident	72 Å²	72	72.2 Å²	72.2	34%	0.336	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-68	-20.1	178.2	-61.4	80	-178.4	0	0	113.2	M70 M75 G79 A80 V83	M70-E77 HydrophobicContact CG-CB 3.91Å; M70-E77 HydrophobicContact SD-CB 4.41Å; M75-E77 VanDerWaalsContact CB-OE2 3.31Å; M75-E77 WeakPolarHBondContact CB-OE2 3.18Å; M75-E77 PolarHBondContact O-N 3.41Å; E77-G79 VanDerWaalsContact C-N 3.26Å; E77-G79 PolarHBondContact O-N 3.27Å; E77-A80 PolarHBondContact O-N 3.01Å; E77-V83 HydrophobicContact CB-CG2 4.04Å; E77-V83 HydrophobicContact CG-CG2 4.23Å
78	S	65.3	Low	78.9	Confident	44 Å²	44	72.3 Å²	72.3	31%	0.308	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-65.8	-32	177.3	67.7	0	0	0	0	112.3	K57 M75 V76	K57-S78 PolarHBondContact NZ-O 3.47Å; M75-S78 VanDerWaalsContact O-CB 3.3Å; M75-S78 WeakPolarHBondContact O-CB 3.19Å; M75-S78 PolarHBondContact O-N 2.93Å; M75-S78 PolarHBondContact O-OG 3.49Å; V76-S78 VanDerWaalsContact C-N 3.26Å; V76-S78 PolarHBondContact O-N 3.03Å
79	G	66.2	Low	79	Confident	67 Å²	67	67.3 Å²	67.3	69%	0.691	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-100	2.9	176.3	0	0	0	0	0	114.7	V76 E77	V76-G79 PolarHBondContact O-N 3.32Å; E77-G79 VanDerWaalsContact C-N 3.26Å; E77-G79 PolarHBondContact O-N 3.27Å
80	A	76.5	Confident	79.3	Confident	26 Å²	26	66.6 Å²	66.6	22%	0.215	41%	0.405	C	S	.	.			trans	-88.4	141.2	179.7	0	0	0	0	0	111.5	I44 K57 E77 V83	I44-A80 WeakPolarHBondContact CD1-O 3.46Å; K57-A80 PolarHBondContact NZ-O 3.04Å; E77-A80 PolarHBondContact O-N 3.01Å; A80-V83 HydrophobicContact CB-CG2 4.36Å
81	D	81.3	Confident	79.5	Confident	123 Å²	123	69.4 Å²	69.4	66%	0.658	42%	0.419	S	S	*	.	S	Bend	trans	-86.5	-23.3	172.9	-63.9	-30	0	0	0	111.7	T45	T45-D81 PolarHBondContact N-O 3.41Å
82	E	88.8	Confident	79.8	Confident	101 Å²	101	68 Å²	68	47%	0.472	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.3	175.9	-57.6	-163	153	0	0	110.9	T45 I47 K52	T45-E82 CarbonylContact O-C 3.51Å; T45-E82 VanDerWaalsContact O-CA 3.31Å; T45-E82 WeakPolarHBondContact O-CA 3.4Å; I47-E82 HydrophobicContact CD1-CB 4.37Å; K52-E82 IonicContact NZ-OE1 2.95Å; K52-E82 PolarHBondContact NZ-OE1 3.43Å; K52-E82 IonicContact NZ-OE2 3.53Å; K52-E82 PolarHBondContact NZ-OE2 3.1Å
83	V	88.9	Confident	80.4	Confident	10 Å²	10	64.1 Å²	64.1	6%	0.061	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.6	177.5	170.4	0	0	0	0	109.8	I44 T45 L46 I47 M70 E77 A80 L85	I44-V83 HydrophobicContact CD1-CB 4.37Å; I44-V83 HydrophobicContact CD1-CG2 3.8Å; T45-V83 PolarHBondContact O-N 2.89Å; L46-V83 CarbonylContact C-O 3.58Å; L46-V83 WeakPolarHBondContact CA-O 3.31Å; L46-V83 HydrophobicContact CD2-CB 4.18Å; L46-V83 HydrophobicContact CD2-CG1 4.46Å; I47-V83 PolarHBondContact N-O 2.97Å; M70-V83 HydrophobicContact CE-CG1 4.18Å; M70-V83 HydrophobicContact CE-CG2 4.45Å; M70-V83 HydrophobicContact SD-CG1 4.06Å; E77-V83 HydrophobicContact CB-CG2 4.04Å; E77-V83 HydrophobicContact CG-CG2 4.23Å; A80-V83 HydrophobicContact CB-CG2 4.36Å; V83-L85 HydrophobicContact CG1-CD2 4.14Å
84	N	88.8	Confident	81.5	Confident	84 Å²	84	63.6 Å²	63.6	45%	0.449	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.3	176.1	-166.2	-3.4	0	0	0	110.2	I47 H86	I47-N84 PolarHBondContact O-OD1 3.39Å; N84-H86 PolarHBondContact ND2-CE1 3.44Å; N84-H86 VanDerWaalsContact ND2-CE1 3.27Å; N84-H86 PolarHBondContact O-N 3.45Å
85	L	89.1	Confident	82.9	Confident	4 Å²	4	59 Å²	59	2%	0.021	34%	0.344	C	S	.	.			trans	-89.1	99	179.3	-66.2	177.6	0	0	0	109.4	L46 I47 Y66 F67 V83 L93 L122	L46-L85 HydrophobicContact CB-CD1 4.19Å; L46-L85 HydrophobicContact CD1-CD1 4.08Å; L46-L85 HydrophobicContact CD2-CD1 4.11Å; L46-L85 HydrophobicContact CD2-CG 4.37Å; L46-L85 HydrophobicContact CG-CD1 4.36Å; I47-L85 PolarHBondContact O-N 3.37Å; Y66-L85 HydrophobicContact CE1-CD2 4.16Å; F67-L85 HydrophobicContact CE1-CD1 4.41Å; F67-L85 HydrophobicContact CE1-CD2 4.41Å; F67-L85 HydrophobicContact CZ-CD1 4.21Å; V83-L85 HydrophobicContact CG1-CD2 4.14Å; L85-L93 HydrophobicContact CD1-CD1 3.81Å; L85-L93 HydrophobicContact CD1-CD2 3.95Å; L85-L122 HydrophobicContact CD1-CD2 4.29Å
86	H	84.9	Confident	84.3	Confident	139 Å²	139	54.4 Å²	54.4	64%	0.644	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	127.4	176.1	-64	-62.3	0	0	0	111	N84 H121	N84-H86 PolarHBondContact ND2-CE1 3.44Å; N84-H86 VanDerWaalsContact ND2-CE1 3.27Å; N84-H86 PolarHBondContact O-N 3.45Å; H86-H121 PolarHBondContact O-CE1 3.46Å
87	G	82.4	Confident	85.8	Confident	71 Å²	71	48.3 Å²	48.3	73%	0.732	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	7.1	176.5	0	0	0	0	0	115.2
88	V	90.8	Very high	87.1	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.03	29%	0.288	C	S	.	.			trans	-115.5	131.5	172	-175	0	0	0	0	109.1	L93 A118 H121	V88-L93 HydrophobicContact CG1-CB 3.89Å; V88-A118 HydrophobicContact CG1-CB 3.71Å; V88-H121 HydrophobicContact CG2-CB 3.95Å; V88-H121 VanDerWaalsContact CG2-CD2 3.43Å; V88-H121 WeakPolarHBondContact CG2-CD2 3.25Å
89	T	93	Very high	88.4	Confident	31 Å²	31	47.8 Å²	47.8	19%	0.19	28%	0.278	C	S	.	.			trans	-75	150.8	176.8	62.4	0	0	0	0	110.9	E49 L91 G92 L93 D114	E49-T89 WeakPolarHBondContact OE2-CA 3.38Å; E49-T89 WeakPolarHBondContact OE2-CB 3.31Å; T89-L91 PolarHBondContact O-N 3.44Å; T89-G92 PolarHBondContact O-N 2.98Å; T89-G92 PolarHBondContact OG1-N 3.17Å; T89-L93 WeakPolarHBondContact O-CB 3.43Å; T89-L93 PolarHBondContact O-N 3.26Å; T89-D114 VanDerWaalsContact CG2-OD1 3.29Å; T89-D114 WeakPolarHBondContact CG2-OD1 3.29Å; T89-D114 WeakPolarHBondContact OG1-CB 3.11Å; T89-D114 PolarHBondContact OG1-OD1 2.75Å
90	S	92.9	Very high	89.7	Confident	27 Å²	27	45.2 Å²	45.2	19%	0.189	25%	0.25	C	C	.	.	H	α-helix	trans	-56.8	-38.4	177.4	53.1	0	0	0	0	112	E49 F53 K94	E49-S90 PolarHBondContact OE2-N 3.4Å; E49-S90 PolarHBondContact OE2-OG 2.86Å; E49-S90 VanDerWaalsContact OE2-OG 3.13Å; F53-S90 WeakPolarHBondContact CZ-O 3.42Å; S90-K94 WeakPolarHBondContact O-CB 3.24Å; S90-K94 PolarHBondContact O-N 3.37Å
91	L	91.6	Very high	90.5	Very high	67 Å²	67	44 Å²	44	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-48.9	176.2	-176.6	64	0	0	0	112.5	T89 L93 K94 Q95 V111	T89-L91 PolarHBondContact O-N 3.44Å; L91-L93 PolarHBondContact O-N 3.12Å; L91-K94 WeakPolarHBondContact O-CB 3.39Å; L91-K94 PolarHBondContact O-N 2.87Å; L91-Q95 PolarHBondContact O-N 3.04Å; L91-V111 HydrophobicContact CD1-CG1 4.43Å; L91-V111 HydrophobicContact CD2-CB 4.43Å; L91-V111 HydrophobicContact CD2-CG1 3.83Å; L91-V111 HydrophobicContact CD2-CG2 4.14Å; L91-V111 HydrophobicContact CG-CG1 3.98Å
92	G	92.1	Very high	90.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-42	178.8	0	0	0	0	0	112	T89 K94 Q95 A96 A118	T89-G92 PolarHBondContact O-N 2.98Å; T89-G92 PolarHBondContact OG1-N 3.17Å; G92-K94 PolarHBondContact O-N 2.87Å; G92-Q95 PolarHBondContact O-N 3.45Å; G92-A96 WeakPolarHBondContact O-CB 3.26Å; G92-A96 PolarHBondContact O-N 2.78Å; G92-A118 VanDerWaalsContact C-CB 3.48Å; G92-A118 WeakPolarHBondContact O-CB 3.37Å
93	L	93.7	Very high	90.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-41.6	176.2	-176.9	60.6	0	0	0	111.9	L46 A48 F53 L85 V88 T89 L91 Q95 A96 L97 L122	L46-L93 HydrophobicContact CB-CD2 4.1Å; L46-L93 HydrophobicContact CD1-CD1 4.27Å; A48-L93 HydrophobicContact CB-CB 4.32Å; A48-L93 HydrophobicContact CB-CD2 3.62Å; F53-L93 HydrophobicContact CD2-CD2 3.58Å; F53-L93 HydrophobicContact CD2-CG 4.27Å; F53-L93 HydrophobicContact CE2-CD2 3.9Å; F53-L93 HydrophobicContact CE2-CG 4.42Å; F53-L93 HydrophobicContact CG-CD2 4.29Å; L85-L93 HydrophobicContact CD1-CD1 3.81Å; L85-L93 HydrophobicContact CD1-CD2 3.95Å; V88-L93 HydrophobicContact CG1-CB 3.89Å; T89-L93 WeakPolarHBondContact O-CB 3.43Å; T89-L93 PolarHBondContact O-N 3.26Å; L91-L93 PolarHBondContact O-N 3.12Å; L93-Q95 PolarHBondContact O-N 3.18Å; L93-A96 PolarHBondContact O-N 3.44Å; L93-L97 HydrophobicContact CD1-CD1 4.34Å; L93-L97 HydrophobicContact CD1-CG 4.17Å; L93-L97 HydrophobicContact CG-CD1 4.1Å; L93-L97 HydrophobicContact CG-CG 4.36Å; L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.37Å; L93-L97 PolarHBondContact O-N 2.93Å; L93-L122 HydrophobicContact CD1-CD1 3.89Å
94	K	92.6	Very high	91	Very high	108 Å²	108	44.2 Å²	44.2	47%	0.47	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-48.4	177.1	-177.8	-177.1	173.1	-173.4	0	111.5	F53 S90 L91 G92 L97 E98	F53-K94 HydrophobicContact CE1-CB 3.84Å; F53-K94 HydrophobicContact CE1-CG 4.25Å; F53-K94 HydrophobicContact CZ-CB 4.2Å; S90-K94 WeakPolarHBondContact O-CB 3.24Å; S90-K94 PolarHBondContact O-N 3.37Å; L91-K94 WeakPolarHBondContact O-CB 3.39Å; L91-K94 PolarHBondContact O-N 2.87Å; G92-K94 PolarHBondContact O-N 2.87Å; K94-L97 PolarHBondContact O-N 3.49Å; K94-E98 WeakPolarHBondContact O-CB 3.48Å; K94-E98 PolarHBondContact O-N 2.9Å
95	Q	92.5	Very high	91	Very high	29 Å²	29	42 Å²	42	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-40.9	179	-68.8	-63.4	-27.2	0	0	112.1	L91 G92 L93 L97 E98 F99 I105 V111 V115	L91-Q95 PolarHBondContact O-N 3.04Å; G92-Q95 PolarHBondContact O-N 3.45Å; L93-Q95 PolarHBondContact O-N 3.18Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; Q95-L97 PolarHBondContact O-N 3.24Å; Q95-E98 PolarHBondContact O-N 3.13Å; Q95-F99 WeakPolarHBondContact O-CB 3.47Å; Q95-F99 PolarHBondContact O-N 2.91Å; Q95-I105 HydrophobicContact CB-CD1 4.11Å; Q95-V111 HydrophobicContact CG-CG1 4.29Å; Q95-V115 HydrophobicContact CB-CG2 3.79Å; Q95-V115 HydrophobicContact CG-CG2 3.92Å
96	A	92.9	Very high	91	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-41	176	0	0	0	0	0	112.4	G92 L93 A100 A118 L122 L124 L127	G92-A96 WeakPolarHBondContact O-CB 3.26Å; G92-A96 PolarHBondContact O-N 2.78Å; L93-A96 PolarHBondContact O-N 3.44Å; A96-A100 WeakPolarHBondContact O-CB 3.29Å; A96-A100 PolarHBondContact O-N 2.92Å; A96-A118 HydrophobicContact CB-CB 4.44Å; A96-L122 HydrophobicContact CB-CD1 4.08Å; A96-L124 HydrophobicContact CB-CD1 3.69Å; A96-L127 HydrophobicContact CB-CD2 4.37Å
97	L	92.8	Very high	91	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-42.8	175	-71	176.4	0	0	0	111.7	L46 F53 A55 L60 L93 K94 Q95 F99 A100 Y101	L46-L97 HydrophobicContact CD1-CD2 4.22Å; F53-L97 HydrophobicContact CB-CD1 3.57Å; F53-L97 HydrophobicContact CD1-CD1 4.03Å; F53-L97 HydrophobicContact CG-CD1 3.92Å; A55-L97 HydrophobicContact CB-CD2 4.36Å; L60-L97 HydrophobicContact CD2-CD2 3.55Å; L93-L97 HydrophobicContact CD1-CD1 4.34Å; L93-L97 HydrophobicContact CD1-CG 4.17Å; L93-L97 HydrophobicContact CG-CD1 4.1Å; L93-L97 HydrophobicContact CG-CG 4.36Å; L93-L97 WeakPolarHBondContact O-CB 3.47Å; L93-L97 VanDerWaalsContact O-CG 3.31Å; L93-L97 WeakPolarHBondContact O-CG 3.37Å; L93-L97 PolarHBondContact O-N 2.93Å; K94-L97 PolarHBondContact O-N 3.49Å; Q95-L97 VanDerWaalsContact C-N 3.34Å; Q95-L97 PolarHBondContact O-N 3.24Å; L97-F99 VanDerWaalsContact C-N 3.28Å; L97-F99 PolarHBondContact O-N 3.24Å; L97-A100 PolarHBondContact O-N 3.29Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.39Å; L97-Y101 PolarHBondContact O-N 3.32Å
98	E	91.9	Very high	91.2	Very high	82 Å²	82	44 Å²	44	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-59.6	-42.7	176.1	-169.7	162.4	-172	0	0	111.1	K94 Q95 Y101 T102	K94-E98 WeakPolarHBondContact O-CB 3.48Å; K94-E98 PolarHBondContact O-N 2.9Å; Q95-E98 PolarHBondContact O-N 3.13Å; E98-Y101 PolarHBondContact O-N 2.97Å; E98-T102 HydrophobicContact CG-CG2 4.45Å; E98-T102 WeakPolarHBondContact O-CB 3.37Å; E98-T102 WeakPolarHBondContact O-CG2 3.5Å; E98-T102 PolarHBondContact O-N 2.88Å; E98-T102 PolarHBondContact O-OG1 2.96Å
99	F	93.7	Very high	90.7	Very high	24 Å²	24	48.9 Å²	48.9	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-45.4	173	176	-103.1	0	0	0	112.7	Q95 L97 Y101 T102 G103 Q104 E126 L127 L130	Q95-F99 WeakPolarHBondContact O-CB 3.47Å; Q95-F99 PolarHBondContact O-N 2.91Å; L97-F99 VanDerWaalsContact C-N 3.28Å; L97-F99 PolarHBondContact O-N 3.24Å; F99-Y101 PolarHBondContact O-N 3.45Å; F99-Y101 VanDerWaalsContact O-N 3.15Å; F99-T102 PolarHBondContact O-N 3.46Å; F99-G103 WeakPolarHBondContact O-CA 3.35Å; F99-G103 PolarHBondContact O-N 3.4Å; F99-Q104 WeakPolarHBondContact CA-O 3.5Å; F99-E126 HydrophobicContact CE1-CB 4.4Å; F99-E126 HydrophobicContact CZ-CB 3.99Å; F99-L127 HydrophobicContact CB-CD1 4.25Å; F99-L127 HydrophobicContact CD1-CB 3.97Å; F99-L127 HydrophobicContact CD1-CD1 4.17Å; F99-L127 HydrophobicContact CD1-CG 4.47Å; F99-L127 HydrophobicContact CD2-CD1 4.14Å; F99-L127 HydrophobicContact CE1-CB 3.85Å; F99-L127 HydrophobicContact CG-CD1 3.91Å; F99-L127 HydrophobicContact CZ-CB 4.34Å; F99-L130 HydrophobicContact CD2-CD1 4.44Å; F99-L130 HydrophobicContact CE2-CD1 3.61Å; F99-L130 HydrophobicContact CZ-CD1 4.23Å
100	A	92.8	Very high	90.3	Very high	12 Å²	12	50.7 Å²	50.7	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-29.8	-179.8	0	0	0	0	0	113.4	A96 L97	A96-A100 WeakPolarHBondContact O-CB 3.29Å; A96-A100 PolarHBondContact O-N 2.92Å; L97-A100 PolarHBondContact O-N 3.29Å
101	Y	92.6	Very high	90	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-102.3	-13.1	-177.1	-79.3	-93.8	0	0	0	114.8	L29 L32 N33 R36 H56 V59 L97 E98 F99	L29-Y101 VanDerWaalsContact CD2-C 3.42Å; L29-Y101 WeakPolarHBondContact CD2-O 3.49Å; L29-Y101 VanDerWaalsContact CG-O 3.29Å; L29-Y101 WeakPolarHBondContact CG-O 3.45Å; L32-Y101 HydrophobicContact CB-CD1 4.19Å; L32-Y101 HydrophobicContact CB-CE1 4.13Å; N33-Y101 HydrophobicContact CB-CD1 4.08Å; N33-Y101 HydrophobicContact CB-CG 4.37Å; R36-Y101 HydrophobicContact CB-CE1 4.22Å; H56-Y101 WeakPolarHBondContact CB-OH 3.49Å; H56-Y101 PolarHBondContact N-OH 3.39Å; H56-Y101 AromaticContact ND1-CE1 3.49Å; H56-Y101 WeakPolarHBondContact ND1-CE1 3.46Å; H56-Y101 AromaticContact ND1-CZ 3.56Å; H56-Y101 PolarHBondContact ND1-OH 3.5Å; V59-Y101 HydrophobicContact CB-CE1 4.15Å; V59-Y101 HydrophobicContact CB-CE2 4.27Å; V59-Y101 HydrophobicContact CG1-CD1 4.27Å; V59-Y101 HydrophobicContact CG1-CD2 4.15Å; V59-Y101 HydrophobicContact CG1-CE1 3.95Å; V59-Y101 HydrophobicContact CG1-CE2 3.79Å; V59-Y101 HydrophobicContact CG1-CG 4.37Å; V59-Y101 HydrophobicContact CG2-CE1 3.87Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.39Å; L97-Y101 PolarHBondContact O-N 3.32Å; E98-Y101 PolarHBondContact O-N 2.97Å; F99-Y101 PolarHBondContact O-N 3.45Å; F99-Y101 VanDerWaalsContact O-N 3.15Å
102	T	90.8	Very high	90	Very high	46 Å²	46	47.8 Å²	47.8	28%	0.282	27%	0.274	S	S	.	.	H	α-helix	trans	-123	-20.5	-177.2	65.6	0	0	0	0	113.5	N33 E98 F99 Q104	N33-T102 WeakPolarHBondContact ND2-CG2 3.48Å; E98-T102 HydrophobicContact CG-CG2 4.45Å; E98-T102 WeakPolarHBondContact O-CB 3.37Å; E98-T102 WeakPolarHBondContact O-CG2 3.5Å; E98-T102 PolarHBondContact O-N 2.88Å; E98-T102 PolarHBondContact O-OG1 2.96Å; F99-T102 PolarHBondContact O-N 3.46Å; T102-Q104 PolarHBondContact O-N 3.19Å; T102-Q104 PolarHBondContact OG1-N 3.3Å; T102-Q104 VanDerWaalsContact OG1-N 3.09Å; T102-Q104 PolarHBondContact OG1-O 3.05Å
103	G	88.9	Confident	89.9	Confident	46 Å²	46	53.4 Å²	53.4	47%	0.474	30%	0.3	S	S	.	.	S	Bend	trans	67.4	9.1	-167.9	0	0	0	0	0	113.9	F99	F99-G103 WeakPolarHBondContact O-CA 3.35Å; F99-G103 PolarHBondContact O-N 3.4Å
104	Q	89.4	Confident	89.8	Confident	146 Å²	146	55.6 Å²	55.6	68%	0.682	31%	0.312	S	S	*	.			trans	-120.8	148.2	-175.4	-62.7	179.9	4	0	0	110.4	F99 T102	F99-Q104 WeakPolarHBondContact CA-O 3.5Å; T102-Q104 PolarHBondContact O-N 3.19Å; T102-Q104 PolarHBondContact OG1-N 3.3Å; T102-Q104 VanDerWaalsContact OG1-N 3.09Å; T102-Q104 PolarHBondContact OG1-O 3.05Å
105	I	90.4	Very high	89.9	Confident	37 Å²	37	50.5 Å²	50.5	19%	0.19	29%	0.289	C	S	.	.			trans	-143.6	139.9	173	-174.3	163.2	0	0	0	110.1	Q95 L107 V115 L127 L130	Q95-I105 HydrophobicContact CB-CD1 4.11Å; I105-L107 HydrophobicContact CD1-CD2 3.67Å; I105-L107 HydrophobicContact CG1-CD2 3.83Å; I105-L107 HydrophobicContact CG1-CG 4.38Å; I105-L107 HydrophobicContact CG2-CD2 4.16Å; I105-L107 HydrophobicContact CG2-CG 4.12Å; I105-V115 HydrophobicContact CD1-CB 4.5Å; I105-V115 HydrophobicContact CD1-CG1 3.5Å; I105-V115 HydrophobicContact CD1-CG2 4.14Å; I105-L127 HydrophobicContact CB-CD1 4.39Å; I105-L127 HydrophobicContact CD1-CD1 3.53Å; I105-L127 HydrophobicContact CG2-CD1 4.17Å; I105-L130 HydrophobicContact CG2-CD1 4.47Å
106	L	87.5	Confident	89.9	Confident	124 Å²	124	49.1 Å²	49.1	65%	0.649	28%	0.283	S	S	*	.			trans	-96	110.2	170.3	-177.2	65.2	0	0	0	108.7
107	L	86	Confident	89.9	Confident	31 Å²	31	50.4 Å²	50.4	16%	0.162	29%	0.294	C	S	.	.			trans	-94.5	123.7	-179.4	-62.8	176.7	0	0	0	110.6	I105 I112 V115 Y134	I105-L107 HydrophobicContact CD1-CD2 3.67Å; I105-L107 HydrophobicContact CG1-CD2 3.83Å; I105-L107 HydrophobicContact CG1-CG 4.38Å; I105-L107 HydrophobicContact CG2-CD2 4.16Å; I105-L107 HydrophobicContact CG2-CG 4.12Å; L107-I112 HydrophobicContact CD1-CD1 4.29Å; L107-I112 HydrophobicContact CD2-CD1 3.77Å; L107-I112 HydrophobicContact CG-CD1 4.42Å; L107-V115 HydrophobicContact CD2-CG1 4.33Å; L107-Y134 HydrophobicContact CB-CD1 4.06Å; L107-Y134 HydrophobicContact CB-CD2 4.33Å; L107-Y134 HydrophobicContact CB-CE1 4.18Å; L107-Y134 HydrophobicContact CB-CE2 4.45Å; L107-Y134 HydrophobicContact CB-CG 4.14Å; L107-Y134 HydrophobicContact CD1-CD1 4Å; L107-Y134 HydrophobicContact CD1-CD2 4.44Å; L107-Y134 HydrophobicContact CD1-CG 3.74Å
108	E	86.1	Confident	89.9	Confident	102 Å²	102	50.3 Å²	50.3	48%	0.477	29%	0.293	S	S	.	.			trans	-124.2	147.7	174.9	-64	-177.3	162.7	0	0	109.9	G110 V111 I112	E108-G110 PolarHBondContact O-N 2.8Å; E108-G110 VanDerWaalsContact O-N 3.14Å; E108-V111 HydrophobicContact CB-CG2 4.28Å; E108-V111 PolarHBondContact O-N 3.33Å; E108-I112 PolarHBondContact O-N 2.67Å; E108-I112 VanDerWaalsContact O-N 3.14Å
109	P	81.4	Confident	90	Very high	106 Å²	106	46.4 Å²	46.4	69%	0.688	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.3	-177.5	-26.7	34.4	0	0	0	114.2	V111	P109-V111 VanDerWaalsContact C-N 3.32Å
110	G	83.8	Confident	90	Very high	69 Å²	69	47.6 Å²	47.6	71%	0.711	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-17	179.3	0	0	0	0	0	114.5	E108	E108-G110 PolarHBondContact O-N 2.8Å; E108-G110 VanDerWaalsContact O-N 3.14Å
111	V	87.6	Confident	90	Very high	21 Å²	21	50.3 Å²	50.3	13%	0.127	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-15.7	-170.3	-175.2	0	0	0	0	112	L91 Q95 E108 P109 Q113 D114 V115	L91-V111 HydrophobicContact CD1-CG1 4.43Å; L91-V111 HydrophobicContact CD2-CB 4.43Å; L91-V111 HydrophobicContact CD2-CG1 3.83Å; L91-V111 HydrophobicContact CD2-CG2 4.14Å; L91-V111 HydrophobicContact CG-CG1 3.98Å; Q95-V111 HydrophobicContact CG-CG1 4.29Å; E108-V111 HydrophobicContact CB-CG2 4.28Å; E108-V111 PolarHBondContact O-N 3.33Å; P109-V111 VanDerWaalsContact C-N 3.32Å; V111-Q113 VanDerWaalsContact C-N 3.32Å; V111-Q113 PolarHBondContact O-N 2.99Å; V111-D114 PolarHBondContact O-N 3.32Å; V111-V115 HydrophobicContact CG1-CG2 3.82Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 2.93Å; V111-V115 VanDerWaalsContact O-N 3.09Å
112	I	90.5	Very high	90	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.062	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-37.8	-172.4	-165.8	64.7	0	0	0	113.6	L107 E108 V115 L116 C131 Y134 L135	L107-I112 HydrophobicContact CD1-CD1 4.29Å; L107-I112 HydrophobicContact CD2-CD1 3.77Å; L107-I112 HydrophobicContact CG-CD1 4.42Å; E108-I112 PolarHBondContact O-N 2.67Å; E108-I112 VanDerWaalsContact O-N 3.14Å; I112-V115 PolarHBondContact O-N 3.09Å; I112-L116 HydrophobicContact CG1-CD1 4.15Å; I112-L116 HydrophobicContact CG1-CG 4.43Å; I112-L116 WeakPolarHBondContact O-CB 3.35Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.3Å; I112-C131 HydrophobicContact CD1-CB 4.04Å; I112-Y134 HydrophobicContact CD1-CD1 4.14Å; I112-L135 HydrophobicContact CG1-CD1 4.4Å; I112-L135 HydrophobicContact CG1-CD2 4.05Å; I112-L135 HydrophobicContact CG1-CG 4.38Å
113	Q	91.1	Very high	90.2	Very high	119 Å²	119	52.5 Å²	52.5	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-68.4	-40.5	-178.5	-173.6	175.3	-6.5	0	0	111.6	V111 L116 A117 L150 F154	V111-Q113 VanDerWaalsContact C-N 3.32Å; V111-Q113 PolarHBondContact O-N 2.99Å; Q113-L116 PolarHBondContact O-N 2.9Å; Q113-A117 WeakPolarHBondContact O-CB 3.47Å; Q113-A117 PolarHBondContact O-N 3.05Å; Q113-L150 HydrophobicContact CG-CD2 4.45Å; Q113-F154 HydrophobicContact CG-CZ 4.42Å
114	D	91.3	Very high	90.4	Very high	45 Å²	45	50.6 Å²	50.6	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-42	175.1	-71.9	-57.7	0	0	0	111.7	T89 V111 A117 A118	T89-D114 VanDerWaalsContact CG2-OD1 3.29Å; T89-D114 WeakPolarHBondContact CG2-OD1 3.29Å; T89-D114 WeakPolarHBondContact OG1-CB 3.11Å; T89-D114 PolarHBondContact OG1-OD1 2.75Å; V111-D114 PolarHBondContact O-N 3.32Å; D114-A117 PolarHBondContact O-N 2.99Å; D114-A118 WeakPolarHBondContact O-CB 3.38Å; D114-A118 PolarHBondContact O-N 2.85Å
115	V	93.6	Very high	90.5	Very high	1 Å²	1	49 Å²	49	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-42.9	177.6	173.7	0	0	0	0	111.2	Q95 I105 L107 V111 I112 A118 G119 L127	Q95-V115 HydrophobicContact CB-CG2 3.79Å; Q95-V115 HydrophobicContact CG-CG2 3.92Å; I105-V115 HydrophobicContact CD1-CB 4.5Å; I105-V115 HydrophobicContact CD1-CG1 3.5Å; I105-V115 HydrophobicContact CD1-CG2 4.14Å; L107-V115 HydrophobicContact CD2-CG1 4.33Å; V111-V115 HydrophobicContact CG1-CG2 3.82Å; V111-V115 WeakPolarHBondContact O-CG2 3.42Å; V111-V115 PolarHBondContact O-N 2.93Å; V111-V115 VanDerWaalsContact O-N 3.09Å; I112-V115 PolarHBondContact O-N 3.09Å; V115-A118 PolarHBondContact O-N 3.39Å; V115-G119 PolarHBondContact O-N 3.39Å; V115-L127 HydrophobicContact CG1-CD1 4.18Å; V115-L127 HydrophobicContact CG1-CD2 4.18Å; V115-L127 HydrophobicContact CG1-CG 4.27Å
116	L	93.1	Very high	90.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-41.8	176.3	-76	172.7	0	0	0	111.8	I112 Q113 G119 S120 L128 C131 L135 F154 L156	I112-L116 HydrophobicContact CG1-CD1 4.15Å; I112-L116 HydrophobicContact CG1-CG 4.43Å; I112-L116 WeakPolarHBondContact O-CB 3.35Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.3Å; Q113-L116 PolarHBondContact O-N 2.9Å; L116-G119 PolarHBondContact O-N 2.96Å; L116-S120 VanDerWaalsContact O-CB 3.25Å; L116-S120 WeakPolarHBondContact O-CB 3.46Å; L116-S120 PolarHBondContact O-N 3.41Å; L116-L128 HydrophobicContact CD2-CD2 3.77Å; L116-C131 HydrophobicContact CD2-CB 3.56Å; L116-C131 HydrophobicContact CG-CB 4.34Å; L116-L135 HydrophobicContact CD1-CD1 4.04Å; L116-F154 HydrophobicContact CB-CD1 4.27Å; L116-F154 HydrophobicContact CB-CD2 3.71Å; L116-F154 HydrophobicContact CB-CE1 4.23Å; L116-F154 HydrophobicContact CB-CE2 3.64Å; L116-F154 HydrophobicContact CB-CG 4.02Å; L116-F154 HydrophobicContact CB-CZ 3.91Å; L116-F154 HydrophobicContact CD1-CD2 3.84Å; L116-F154 HydrophobicContact CD1-CE2 4.02Å; L116-F154 HydrophobicContact CG-CD2 4.33Å; L116-F154 HydrophobicContact CG-CE2 4.49Å; L116-L156 HydrophobicContact CD1-CD1 4.21Å; L116-L156 HydrophobicContact CD2-CD1 3.85Å; L116-L156 HydrophobicContact CD2-CD2 4.32Å
117	A	92.6	Very high	90.7	Very high	31 Å²	31	47.5 Å²	47.5	26%	0.256	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-47.2	175.3	0	0	0	0	0	111.6	Q113 D114 H121 F154	Q113-A117 WeakPolarHBondContact O-CB 3.47Å; Q113-A117 PolarHBondContact O-N 3.05Å; D114-A117 PolarHBondContact O-N 2.99Å; A117-H121 VanDerWaalsContact O-CB 3.26Å; A117-H121 WeakPolarHBondContact O-CB 3.39Å; A117-H121 PolarHBondContact O-N 3.46Å; A117-F154 VanDerWaalsContact CA-CE1 3.49Å; A117-F154 HydrophobicContact CB-CE1 3.93Å; A117-F154 HydrophobicContact CB-CZ 4.13Å
118	A	93.3	Very high	91.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-46.7	175.5	0	0	0	0	0	111.9	V88 G92 A96 D114 V115 S120 H121 L122	V88-A118 HydrophobicContact CG1-CB 3.71Å; G92-A118 VanDerWaalsContact C-CB 3.48Å; G92-A118 WeakPolarHBondContact O-CB 3.37Å; A96-A118 HydrophobicContact CB-CB 4.44Å; D114-A118 WeakPolarHBondContact O-CB 3.38Å; D114-A118 PolarHBondContact O-N 2.85Å; V115-A118 PolarHBondContact O-N 3.39Å; A118-S120 PolarHBondContact O-N 2.95Å; A118-H121 PolarHBondContact O-N 2.92Å; A118-L122 WeakPolarHBondContact O-CB 3.37Å; A118-L122 WeakPolarHBondContact O-CG 3.38Å; A118-L122 PolarHBondContact O-N 3.27Å
119	G	93.9	Very high	91.3	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-39.8	-179.4	0	0	0	0	0	113	V115 L116 Q123 L124	V115-G119 PolarHBondContact O-N 3.39Å; L116-G119 PolarHBondContact O-N 2.96Å; G119-Q123 WeakPolarHBondContact O-CA 3.44Å; G119-Q123 PolarHBondContact O-N 3.4Å; G119-L124 PolarHBondContact O-N 3.09Å
120	S	93.4	Very high	91.8	Very high	50 Å²	50	43.5 Å²	43.5	35%	0.35	24%	0.243	S	C	.	.	H	α-helix	trans	-68.8	-49.9	176.1	-176.9	0	0	0	0	111.4	L116 A118 L122 Q123	L116-S120 VanDerWaalsContact O-CB 3.25Å; L116-S120 WeakPolarHBondContact O-CB 3.46Å; L116-S120 PolarHBondContact O-N 3.41Å; A118-S120 PolarHBondContact O-N 2.95Å; S120-L122 VanDerWaalsContact C-N 3.34Å; S120-L122 PolarHBondContact O-N 3.45Å; S120-Q123 PolarHBondContact O-N 3.43Å; S120-Q123 VanDerWaalsContact O-N 3.17Å
121	H	92.8	Very high	92.3	Very high	69 Å²	69	40.2 Å²	40.2	32%	0.319	21%	0.209	S	C	.	.	H	α-helix	trans	-61.1	-42.6	179.4	-170.7	94.7	0	0	0	112.2	H86 V88 A117 A118 Q123	H86-H121 PolarHBondContact O-CE1 3.46Å; V88-H121 HydrophobicContact CG2-CB 3.95Å; V88-H121 VanDerWaalsContact CG2-CD2 3.43Å; V88-H121 WeakPolarHBondContact CG2-CD2 3.25Å; A117-H121 VanDerWaalsContact O-CB 3.26Å; A117-H121 WeakPolarHBondContact O-CB 3.39Å; A117-H121 PolarHBondContact O-N 3.46Å; A118-H121 PolarHBondContact O-N 2.92Å; H121-Q123 VanDerWaalsContact C-N 3.3Å; H121-Q123 PolarHBondContact O-N 3.34Å
122	L	93.4	Very high	92.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.6	-179.4	-57.6	175.9	0	0	0	113.2	S64 Y66 F67 L85 L93 A96 A118 S120 L124	S64-L122 WeakPolarHBondContact CB-O 3.2Å; S64-L122 PolarHBondContact OG-O 3.27Å; Y66-L122 HydrophobicContact CD1-CD2 3.97Å; Y66-L122 HydrophobicContact CE1-CD2 4.09Å; F67-L122 HydrophobicContact CE1-CD2 4.21Å; F67-L122 HydrophobicContact CE2-CB 4.41Å; F67-L122 HydrophobicContact CE2-CD1 4.16Å; F67-L122 HydrophobicContact CE2-CD2 3.88Å; F67-L122 HydrophobicContact CE2-CG 4.38Å; F67-L122 HydrophobicContact CZ-CD1 4.25Å; F67-L122 HydrophobicContact CZ-CD2 3.54Å; F67-L122 HydrophobicContact CZ-CG 4.42Å; L85-L122 HydrophobicContact CD1-CD2 4.29Å; L93-L122 HydrophobicContact CD1-CD1 3.89Å; A96-L122 HydrophobicContact CB-CD1 4.08Å; A118-L122 WeakPolarHBondContact O-CB 3.37Å; A118-L122 WeakPolarHBondContact O-CG 3.38Å; A118-L122 PolarHBondContact O-N 3.27Å; S120-L122 VanDerWaalsContact C-N 3.34Å; S120-L122 PolarHBondContact O-N 3.45Å; L122-L124 VanDerWaalsContact C-N 3.29Å; L122-L124 HydrophobicContact CB-CD1 4.23Å; L122-L124 HydrophobicContact CB-CG 4.18Å; L122-L124 PolarHBondContact O-N 2.89Å
123	Q	93.6	Very high	92.7	Very high	93 Å²	93	43.7 Å²	43.7	44%	0.435	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.1	178.8	-58.8	-178.2	-16.4	0	0	114.1	D65 G119 S120 H121 L125	D65-Q123 HydrophobicContact CB-CB 4.5Å; G119-Q123 WeakPolarHBondContact O-CA 3.44Å; G119-Q123 PolarHBondContact O-N 3.4Å; S120-Q123 PolarHBondContact O-N 3.43Å; S120-Q123 VanDerWaalsContact O-N 3.17Å; H121-Q123 VanDerWaalsContact C-N 3.3Å; H121-Q123 PolarHBondContact O-N 3.34Å; Q123-L125 PolarHBondContact O-N 2.97Å
124	L	93.3	Very high	92.7	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	21%	0.207	C	C	.	.			trans	-88	80.6	176	-66.5	170.8	0	0	0	110.1	C63 A96 G119 L122 E126 L127 L128	C63-L124 HydrophobicContact CB-CD2 4.34Å; C63-L124 WeakPolarHBondContact O-CD2 3.33Å; A96-L124 HydrophobicContact CB-CD1 3.69Å; G119-L124 PolarHBondContact O-N 3.09Å; L122-L124 VanDerWaalsContact C-N 3.29Å; L122-L124 HydrophobicContact CB-CD1 4.23Å; L122-L124 HydrophobicContact CB-CG 4.18Å; L122-L124 PolarHBondContact O-N 2.89Å; L124-E126 PolarHBondContact O-N 3.23Å; L124-L127 HydrophobicContact CB-CB 3.79Å; L124-L127 HydrophobicContact CB-CD2 4.19Å; L124-L127 HydrophobicContact CD1-CD2 3.85Å; L124-L127 WeakPolarHBondContact O-CB 3.21Å; L124-L127 PolarHBondContact O-N 3.02Å; L124-L128 PolarHBondContact O-N 3.17Å; L124-L128 VanDerWaalsContact O-N 3.12Å
125	L	90.9	Very high	92.8	Very high	113 Å²	113	38.8 Å²	38.8	59%	0.592	20%	0.198	S	C	*	.	H	α-helix	trans	-61.4	-40	-172.8	-62.4	179.2	0	0	0	113.8	Q123 L127 L128 N129	Q123-L125 PolarHBondContact O-N 2.97Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.29Å; L125-L128 PolarHBondContact O-N 3.26Å; L125-N129 PolarHBondContact O-N 3.32Å
126	E	91.3	Very high	92.8	Very high	129 Å²	129	41.5 Å²	41.5	60%	0.603	21%	0.212	S	C	*	.	H	α-helix	trans	-65.3	-36	177.7	-69.2	-62.2	166.7	0	0	112.2	F99 L124 N129 L130	F99-E126 HydrophobicContact CE1-CB 4.4Å; F99-E126 HydrophobicContact CZ-CB 3.99Å; L124-E126 PolarHBondContact O-N 3.23Å; E126-N129 PolarHBondContact O-N 3.06Å; E126-L130 WeakPolarHBondContact O-CG 3.47Å; E126-L130 PolarHBondContact O-N 3.26Å
127	L	92.5	Very high	92.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-45.1	174.7	-179.1	62.3	0	0	0	111	A96 F99 I105 V115 L124 L125 N129 L130 C131	A96-L127 HydrophobicContact CB-CD2 4.37Å; F99-L127 HydrophobicContact CB-CD1 4.25Å; F99-L127 HydrophobicContact CD1-CB 3.97Å; F99-L127 HydrophobicContact CD1-CD1 4.17Å; F99-L127 HydrophobicContact CD1-CG 4.47Å; F99-L127 HydrophobicContact CD2-CD1 4.14Å; F99-L127 HydrophobicContact CE1-CB 3.85Å; F99-L127 HydrophobicContact CG-CD1 3.91Å; F99-L127 HydrophobicContact CZ-CB 4.34Å; I105-L127 HydrophobicContact CB-CD1 4.39Å; I105-L127 HydrophobicContact CD1-CD1 3.53Å; I105-L127 HydrophobicContact CG2-CD1 4.17Å; V115-L127 HydrophobicContact CG1-CD1 4.18Å; V115-L127 HydrophobicContact CG1-CD2 4.18Å; V115-L127 HydrophobicContact CG1-CG 4.27Å; L124-L127 HydrophobicContact CB-CB 3.79Å; L124-L127 HydrophobicContact CB-CD2 4.19Å; L124-L127 HydrophobicContact CD1-CD2 3.85Å; L124-L127 WeakPolarHBondContact O-CB 3.21Å; L124-L127 PolarHBondContact O-N 3.02Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.29Å; L127-N129 VanDerWaalsContact C-N 3.32Å; L127-N129 PolarHBondContact O-N 3.44Å; L127-L130 PolarHBondContact O-N 2.98Å; L127-C131 PolarHBondContact O-N 3.25Å; L127-C131 PolarHBondContact O-SG 2.99Å
128	L	92.8	Very high	92.6	Very high	18 Å²	18	52 Å²	52	9%	0.094	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-36.7	176.6	-65.3	176.5	0	0	0	112.2	L116 L124 L125 C131 S132 L156	L116-L128 HydrophobicContact CD2-CD2 3.77Å; L124-L128 PolarHBondContact O-N 3.17Å; L124-L128 VanDerWaalsContact O-N 3.12Å; L125-L128 PolarHBondContact O-N 3.26Å; L128-C131 PolarHBondContact O-N 3.36Å; L128-S132 WeakPolarHBondContact O-CB 3.26Å; L128-S132 PolarHBondContact O-N 2.85Å; L128-S132 PolarHBondContact O-OG 3.14Å; L128-L156 HydrophobicContact CB-CD2 4.24Å; L128-L156 HydrophobicContact CD2-CD2 4.29Å
129	N	91.9	Very high	92.6	Very high	61 Å²	61	53.4 Å²	53.4	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-47.3	173.8	-77.3	-24	0	0	0	111.3	L125 E126 L127 S132 H133	L125-N129 PolarHBondContact O-N 3.32Å; E126-N129 PolarHBondContact O-N 3.06Å; L127-N129 VanDerWaalsContact C-N 3.32Å; L127-N129 PolarHBondContact O-N 3.44Å; N129-S132 WeakPolarHBondContact O-CB 3.29Å; N129-S132 PolarHBondContact O-N 3.48Å; N129-H133 PolarHBondContact O-N 2.97Å; N129-H133 PolarHBondContact O-ND1 3.03Å
130	L	91.8	Very high	92.5	Very high	75 Å²	75	56.1 Å²	56.1	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-44.6	177.3	-70.8	172.9	0	0	0	111.8	F99 I105 E126 L127 S132 H133 Y134	F99-L130 HydrophobicContact CD2-CD1 4.44Å; F99-L130 HydrophobicContact CE2-CD1 3.61Å; F99-L130 HydrophobicContact CZ-CD1 4.23Å; I105-L130 HydrophobicContact CG2-CD1 4.47Å; E126-L130 WeakPolarHBondContact O-CG 3.47Å; E126-L130 PolarHBondContact O-N 3.26Å; L127-L130 PolarHBondContact O-N 2.98Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 2.89Å; L130-H133 PolarHBondContact O-N 2.86Å; L130-Y134 PolarHBondContact O-N 2.84Å; L130-Y134 VanDerWaalsContact O-N 3.07Å
131	C	92.9	Very high	92.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-41.6	175.3	-64.5	0	0	0	0	111.6	I112 L116 L127 L128 H133 Y134 L135	I112-C131 HydrophobicContact CD1-CB 4.04Å; L116-C131 HydrophobicContact CD2-CB 3.56Å; L116-C131 HydrophobicContact CG-CB 4.34Å; L127-C131 PolarHBondContact O-N 3.25Å; L127-C131 PolarHBondContact O-SG 2.99Å; L128-C131 PolarHBondContact O-N 3.36Å; C131-H133 PolarHBondContact O-N 3.17Å; C131-Y134 PolarHBondContact O-N 2.78Å; C131-L135 WeakPolarHBondContact O-CG 3.38Å; C131-L135 PolarHBondContact O-N 3Å
132	S	93.6	Very high	92.1	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-44.1	177.1	-60.5	0	0	0	0	111.8	L128 N129 L130 Y134 L135 I136	L128-S132 WeakPolarHBondContact O-CB 3.26Å; L128-S132 PolarHBondContact O-N 2.85Å; L128-S132 PolarHBondContact O-OG 3.14Å; N129-S132 WeakPolarHBondContact O-CB 3.29Å; N129-S132 PolarHBondContact O-N 3.48Å; L130-S132 VanDerWaalsContact C-N 3.3Å; L130-S132 PolarHBondContact O-N 2.89Å; S132-Y134 PolarHBondContact O-N 3.41Å; S132-L135 PolarHBondContact O-N 3.24Å; S132-I136 WeakPolarHBondContact O-CB 3.38Å; S132-I136 WeakPolarHBondContact O-CD1 3.38Å; S132-I136 WeakPolarHBondContact O-CG1 3.44Å; S132-I136 PolarHBondContact O-N 3.25Å
133	H	92.7	Very high	91.9	Very high	104 Å²	104	60.3 Å²	60.3	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-40.8	177.8	-73.7	87.9	0	0	0	112.4	N129 L130 C131 I136 Q137	N129-H133 PolarHBondContact O-N 2.97Å; N129-H133 PolarHBondContact O-ND1 3.03Å; L130-H133 PolarHBondContact O-N 2.86Å; C131-H133 PolarHBondContact O-N 3.17Å; H133-I136 PolarHBondContact O-N 2.64Å; H133-Q137 WeakPolarHBondContact O-CG 3.47Å; H133-Q137 PolarHBondContact O-N 2.76Å
134	Y	92.1	Very high	91.9	Very high	52 Å²	52	56 Å²	56	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-48.2	174.3	171.8	-103.6	0	0	0	111.6	L107 I112 L130 C131 S132 I136 Q137 E138	L107-Y134 HydrophobicContact CB-CD1 4.06Å; L107-Y134 HydrophobicContact CB-CD2 4.33Å; L107-Y134 HydrophobicContact CB-CE1 4.18Å; L107-Y134 HydrophobicContact CB-CE2 4.45Å; L107-Y134 HydrophobicContact CB-CG 4.14Å; L107-Y134 HydrophobicContact CD1-CD1 4Å; L107-Y134 HydrophobicContact CD1-CD2 4.44Å; L107-Y134 HydrophobicContact CD1-CG 3.74Å; I112-Y134 HydrophobicContact CD1-CD1 4.14Å; L130-Y134 PolarHBondContact O-N 2.84Å; L130-Y134 VanDerWaalsContact O-N 3.07Å; C131-Y134 PolarHBondContact O-N 2.78Å; S132-Y134 PolarHBondContact O-N 3.41Å; Y134-I136 VanDerWaalsContact C-N 3.32Å; Y134-I136 PolarHBondContact O-N 3Å; Y134-Q137 WeakPolarHBondContact O-CB 3.27Å; Y134-Q137 PolarHBondContact O-N 3.07Å; Y134-Q137 VanDerWaalsContact O-N 3.11Å; Y134-E138 HydrophobicContact CE2-CG 4.33Å; Y134-E138 PolarHBondContact O-N 3.26Å
135	L	92.9	Very high	91.8	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-34.4	179.1	-69.3	178.8	0	0	0	113.1	I112 L116 C131 S132 Q137 E138 L139 L147 L159	I112-L135 HydrophobicContact CG1-CD1 4.4Å; I112-L135 HydrophobicContact CG1-CD2 4.05Å; I112-L135 HydrophobicContact CG1-CG 4.38Å; L116-L135 HydrophobicContact CD1-CD1 4.04Å; C131-L135 WeakPolarHBondContact O-CG 3.38Å; C131-L135 PolarHBondContact O-N 3Å; S132-L135 PolarHBondContact O-N 3.24Å; L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 3.14Å; L135-E138 PolarHBondContact O-N 3.39Å; L135-L139 PolarHBondContact O-N 3.39Å; L135-L147 HydrophobicContact CB-CD2 4.32Å; L135-L147 HydrophobicContact CD2-CD2 3.73Å; L135-L147 HydrophobicContact CG-CD2 4.41Å; L135-L159 HydrophobicContact CB-CD1 3.86Å; L135-L159 HydrophobicContact CB-CD2 3.89Å; L135-L159 HydrophobicContact CD1-CD2 3.61Å; L135-L159 HydrophobicContact CG-CD2 4.41Å
136	I	93.6	Very high	91.8	Very high	58 Å²	58	55.3 Å²	55.3	30%	0.297	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-36.3	174.5	-69.4	165.3	0	0	0	111.1	S132 H133 Y134 E138 L139 L158 L159 A162	S132-I136 WeakPolarHBondContact O-CB 3.38Å; S132-I136 WeakPolarHBondContact O-CD1 3.38Å; S132-I136 WeakPolarHBondContact O-CG1 3.44Å; S132-I136 PolarHBondContact O-N 3.25Å; H133-I136 PolarHBondContact O-N 2.64Å; Y134-I136 VanDerWaalsContact C-N 3.32Å; Y134-I136 PolarHBondContact O-N 3Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-L139 WeakPolarHBondContact O-CB 3.37Å; I136-L139 PolarHBondContact O-N 2.93Å; I136-L158 HydrophobicContact CD1-CB 4.36Å; I136-L159 HydrophobicContact CG1-CD1 3.78Å; I136-A162 HydrophobicContact CD1-CB 4.09Å; I136-A162 HydrophobicContact CG1-CB 3.73Å; I136-A162 HydrophobicContact CG2-CB 4.13Å
137	Q	91.8	Very high	91.9	Very high	154 Å²	154	49.7 Å²	49.7	72%	0.72	25%	0.246	S	C	*	.	H	α-helix	trans	-69.2	-31	178.3	-71.2	174.3	3	0	0	112.7	H133 Y134 L135	H133-Q137 WeakPolarHBondContact O-CG 3.47Å; H133-Q137 PolarHBondContact O-N 2.76Å; Y134-Q137 WeakPolarHBondContact O-CB 3.27Å; Y134-Q137 PolarHBondContact O-N 3.07Å; Y134-Q137 VanDerWaalsContact O-N 3.11Å; L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 3.14Å
138	E	90.9	Very high	92	Very high	98 Å²	98	50 Å²	50	46%	0.458	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.2	178.8	-66	-58.7	133.9	0	0	113.5	Y134 L135 I136 N140 N143	Y134-E138 HydrophobicContact CE2-CG 4.33Å; Y134-E138 PolarHBondContact O-N 3.26Å; L135-E138 PolarHBondContact O-N 3.39Å; I136-E138 VanDerWaalsContact C-N 3.32Å; E138-N140 PolarHBondContact O-N 3.24Å; E138-N140 PolarHBondContact O-ND2 3.11Å; E138-N143 PolarHBondContact O-ND2 3.02Å
139	L	93	Very high	92	Very high	30 Å²	30	55.9 Å²	55.9	16%	0.157	27%	0.269	C	S	.	.			trans	-59.4	124.6	-177	-178.7	63.4	0	0	0	112.3	L135 I136 L147 A162 V163 F166	L135-L139 PolarHBondContact O-N 3.39Å; I136-L139 WeakPolarHBondContact O-CB 3.37Å; I136-L139 PolarHBondContact O-N 2.93Å; L139-L147 HydrophobicContact CB-CD1 4.19Å; L139-L147 HydrophobicContact CD1-CD1 3.72Å; L139-A162 HydrophobicContact CD2-CB 4.41Å; L139-V163 HydrophobicContact CD1-CG2 3.91Å; L139-V163 HydrophobicContact CD2-CG2 4.47Å; L139-F166 HydrophobicContact CD2-CB 3.62Å; L139-F166 HydrophobicContact CD2-CD2 4.28Å; L139-F166 HydrophobicContact CD2-CG 3.98Å; L139-F166 HydrophobicContact CG-CB 4.31Å; L139-F166 HydrophobicContact CG-CD2 4.24Å; L139-F166 HydrophobicContact CG-CG 4.13Å
140	N	91.2	Very high	92	Very high	56 Å²	56	54.5 Å²	54.5	30%	0.299	26%	0.261	S	S	.	.			trans	-150.1	177.4	-178.3	64.4	60.6	0	0	0	112.4	E138 F142 N143 Y144	E138-N140 PolarHBondContact O-N 3.24Å; E138-N140 PolarHBondContact O-ND2 3.11Å; N140-F142 PolarHBondContact O-N 3.33Å; N140-F142 VanDerWaalsContact O-N 3.1Å; N140-F142 WeakPolarHBondContact OD1-CA 3.47Å; N140-F142 WeakPolarHBondContact OD1-CB 3.37Å; N140-F142 PolarHBondContact OD1-N 3.47Å; N140-N143 VanDerWaalsContact CG-OD1 3.32Å; N140-N143 PolarHBondContact N-OD1 3.06Å; N140-N143 PolarHBondContact ND2-ND2 2.66Å; N140-N143 PolarHBondContact O-N 2.96Å; N140-N143 PolarHBondContact O-OD1 2.87Å; N140-N143 VanDerWaalsContact O-OD1 3.14Å; N140-N143 PolarHBondContact OD1-N 3.42Å; N140-N143 PolarHBondContact OD1-OD1 3.36Å; N140-Y144 PolarHBondContact O-N 3.21Å
141	S	89.2	Confident	92.1	Very high	43 Å²	43	50.9 Å²	50.9	30%	0.301	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-10	-177	56.3	0	0	0	0	115	Y144	S141-Y144 WeakPolarHBondContact O-CD1 3.46Å; S141-Y144 WeakPolarHBondContact O-CE1 3.39Å
142	F	88.3	Confident	92.1	Very high	131 Å²	131	56 Å²	56	58%	0.575	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-31.9	-178	-57.2	-95.4	0	0	0	112.7	N140	N140-F142 PolarHBondContact O-N 3.33Å; N140-F142 VanDerWaalsContact O-N 3.1Å; N140-F142 WeakPolarHBondContact OD1-CA 3.47Å; N140-F142 WeakPolarHBondContact OD1-CB 3.37Å; N140-F142 PolarHBondContact OD1-N 3.47Å
143	N	90.7	Very high	92	Very high	35 Å²	35	61.2 Å²	61.2	19%	0.187	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-6.4	-172.5	68.5	1.5	0	0	0	114.8	E138 N140 L145 D146 L147	E138-N143 PolarHBondContact O-ND2 3.02Å; N140-N143 VanDerWaalsContact CG-OD1 3.32Å; N140-N143 PolarHBondContact N-OD1 3.06Å; N140-N143 PolarHBondContact ND2-ND2 2.66Å; N140-N143 PolarHBondContact O-N 2.96Å; N140-N143 PolarHBondContact O-OD1 2.87Å; N140-N143 VanDerWaalsContact O-OD1 3.14Å; N140-N143 PolarHBondContact OD1-N 3.42Å; N140-N143 PolarHBondContact OD1-OD1 3.36Å; N143-L145 VanDerWaalsContact C-N 3.26Å; N143-L145 PolarHBondContact O-N 3.07Å; N143-L145 VanDerWaalsContact O-N 3.16Å; N143-D146 PolarHBondContact O-N 3.4Å; N143-D146 VanDerWaalsContact O-N 3.07Å; N143-L147 HydrophobicContact CB-CD1 4.48Å; N143-L147 HydrophobicContact CB-CG 4.37Å; N143-L147 WeakPolarHBondContact O-CG 3.48Å; N143-L147 PolarHBondContact O-N 2.96Å
144	Y	92.3	Very high	92	Very high	3 Å²	3	57.4 Å²	57.4	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-35.2	-173.6	73.1	-85.3	0	0	0	114.1	N140 S141 Y148 F166 L167 L174 L185	N140-Y144 PolarHBondContact O-N 3.21Å; S141-Y144 WeakPolarHBondContact O-CD1 3.46Å; S141-Y144 WeakPolarHBondContact O-CE1 3.39Å; Y144-Y148 WeakPolarHBondContact O-CB 3.38Å; Y144-Y148 PolarHBondContact O-N 2.9Å; Y144-F166 HydrophobicContact CD1-CE1 4.36Å; Y144-F166 HydrophobicContact CG-CE1 4.32Å; Y144-L167 HydrophobicContact CD2-CD1 4.23Å; Y144-L167 HydrophobicContact CD2-CD2 3.73Å; Y144-L167 HydrophobicContact CD2-CG 4.1Å; Y144-L167 HydrophobicContact CE2-CD1 4.31Å; Y144-L167 HydrophobicContact CE2-CD2 3.57Å; Y144-L167 HydrophobicContact CE2-CG 4.32Å; Y144-L174 HydrophobicContact CE1-CD1 4.35Å; Y144-L174 HydrophobicContact CE1-CD2 4.31Å; Y144-L185 HydrophobicContact CE2-CD2 4.02Å
145	L	92	Very high	91.9	Very high	19 Å²	19	60.8 Å²	60.8	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-45	176.4	-78.2	177.4	0	0	0	112	N143 Y148 R149 D181 L185	N143-L145 VanDerWaalsContact C-N 3.26Å; N143-L145 PolarHBondContact O-N 3.07Å; N143-L145 VanDerWaalsContact O-N 3.16Å; L145-Y148 PolarHBondContact O-N 3.11Å; L145-R149 WeakPolarHBondContact O-CG 3.49Å; L145-R149 PolarHBondContact O-N 3.43Å; L145-D181 HydrophobicContact CD1-CB 4.33Å; L145-L185 HydrophobicContact CD2-CD2 3.44Å; L145-L185 VanDerWaalsContact CD2-CD2 3.44Å
146	D	90.9	Very high	91.9	Very high	84 Å²	84	60.8 Å²	60.8	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-70.1	-38.6	-179.7	-62.9	-40.2	0	0	0	110.7	N143 Y148 R149 L150	N143-D146 PolarHBondContact O-N 3.4Å; N143-D146 VanDerWaalsContact O-N 3.07Å; D146-Y148 VanDerWaalsContact C-N 3.33Å; D146-Y148 PolarHBondContact O-N 3.11Å; D146-R149 PolarHBondContact O-N 3.03Å; D146-R149 IonicContact OD1-NH1 3.96Å; D146-R149 PolarHBondContact OD1-NH1 3.14Å; D146-R149 VanDerWaalsContact OD1-NH1 3.1Å; D146-L150 WeakPolarHBondContact O-CG 3.42Å; D146-L150 PolarHBondContact O-N 3.48Å
147	L	92.9	Very high	91.8	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-37.5	172.6	-66.9	-175.6	0	0	0	112.3	L135 L139 N143 L150 A151 V163	L135-L147 HydrophobicContact CB-CD2 4.32Å; L135-L147 HydrophobicContact CD2-CD2 3.73Å; L135-L147 HydrophobicContact CG-CD2 4.41Å; L139-L147 HydrophobicContact CB-CD1 4.19Å; L139-L147 HydrophobicContact CD1-CD1 3.72Å; N143-L147 HydrophobicContact CB-CD1 4.48Å; N143-L147 HydrophobicContact CB-CG 4.37Å; N143-L147 WeakPolarHBondContact O-CG 3.48Å; N143-L147 PolarHBondContact O-N 2.96Å; L147-L150 HydrophobicContact CD2-CD1 4.31Å; L147-L150 PolarHBondContact O-N 2.94Å; L147-A151 WeakPolarHBondContact O-CB 3.15Å; L147-A151 PolarHBondContact O-N 3.33Å; L147-V163 HydrophobicContact CB-CG2 4.33Å
148	Y	94.2	Very high	91.9	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.027	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-44.3	172.6	179.9	-97.2	0	0	0	111.9	Y144 L145 D146 L150 A151 D152 E160 V163 P186 L189	Y144-Y148 WeakPolarHBondContact O-CB 3.38Å; Y144-Y148 PolarHBondContact O-N 2.9Å; L145-Y148 PolarHBondContact O-N 3.11Å; D146-Y148 VanDerWaalsContact C-N 3.33Å; D146-Y148 PolarHBondContact O-N 3.11Å; Y148-L150 VanDerWaalsContact C-N 3.29Å; Y148-L150 PolarHBondContact O-N 3.11Å; Y148-A151 WeakPolarHBondContact O-CB 3.42Å; Y148-A151 PolarHBondContact O-N 2.87Å; Y148-A151 VanDerWaalsContact O-N 3.11Å; Y148-D152 WeakPolarHBondContact O-CB 3.49Å; Y148-D152 PolarHBondContact O-N 3.43Å; Y148-E160 HydrophobicContact CD2-CG 4.32Å; Y148-E160 HydrophobicContact CE2-CG 3.9Å; Y148-V163 HydrophobicContact CD2-CG1 4.46Å; Y148-P186 HydrophobicContact CD1-CG 4.16Å; Y148-P186 HydrophobicContact CE1-CB 4.17Å; Y148-P186 HydrophobicContact CE1-CG 3.95Å; Y148-L189 HydrophobicContact CD1-CD2 3.95Å; Y148-L189 HydrophobicContact CD2-CB 4.44Å; Y148-L189 HydrophobicContact CD2-CD1 3.72Å; Y148-L189 HydrophobicContact CD2-CD2 3.85Å; Y148-L189 HydrophobicContact CD2-CG 4.21Å; Y148-L189 HydrophobicContact CE1-CB 4.04Å; Y148-L189 HydrophobicContact CE1-CD2 4.31Å; Y148-L189 HydrophobicContact CE2-CB 3.94Å; Y148-L189 HydrophobicContact CE2-CD1 3.63Å; Y148-L189 HydrophobicContact CE2-CD2 4.19Å; Y148-L189 HydrophobicContact CE2-CG 4.12Å; Y148-L189 HydrophobicContact CG-CD1 4.45Å; Y148-L189 HydrophobicContact CG-CD2 3.71Å
149	R	92.6	Very high	92	Very high	141 Å²	141	54 Å²	54	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-39.3	176.7	-70.2	171.4	-176.8	160.4	-3.1	111.8	L145 D146 L153	L145-R149 WeakPolarHBondContact O-CG 3.49Å; L145-R149 PolarHBondContact O-N 3.43Å; D146-R149 PolarHBondContact O-N 3.03Å; D146-R149 IonicContact OD1-NH1 3.96Å; D146-R149 PolarHBondContact OD1-NH1 3.14Å; D146-R149 VanDerWaalsContact OD1-NH1 3.1Å; R149-L153 VanDerWaalsContact O-CB 3.26Å; R149-L153 WeakPolarHBondContact O-CB 3.34Å; R149-L153 PolarHBondContact O-N 2.98Å
150	L	92.1	Very high	92.1	Very high	32 Å²	32	55 Å²	55	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-41.4	173.3	-70.2	173.2	0	0	0	111.6	Q113 D146 L147 Y148 L153 F154	Q113-L150 HydrophobicContact CG-CD2 4.45Å; D146-L150 WeakPolarHBondContact O-CG 3.42Å; D146-L150 PolarHBondContact O-N 3.48Å; L147-L150 HydrophobicContact CD2-CD1 4.31Å; L147-L150 PolarHBondContact O-N 2.94Å; Y148-L150 VanDerWaalsContact C-N 3.29Å; Y148-L150 PolarHBondContact O-N 3.11Å; L150-L153 PolarHBondContact O-N 3.35Å; L150-F154 HydrophobicContact CD2-CD2 4.46Å; L150-F154 HydrophobicContact CD2-CE2 3.94Å; L150-F154 VanDerWaalsContact O-CD2 3.29Å; L150-F154 WeakPolarHBondContact O-CD2 3.35Å; L150-F154 PolarHBondContact O-N 3.49Å
151	A	94.2	Very high	92.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-43.9	177.5	0	0	0	0	0	111.8	L147 Y148 N155 L156 L159 E160	L147-A151 WeakPolarHBondContact O-CB 3.15Å; L147-A151 PolarHBondContact O-N 3.33Å; Y148-A151 WeakPolarHBondContact O-CB 3.42Å; Y148-A151 PolarHBondContact O-N 2.87Å; Y148-A151 VanDerWaalsContact O-N 3.11Å; A151-N155 CarbonylContact O-C 3.58Å; A151-N155 WeakPolarHBondContact O-CA 3.38Å; A151-N155 PolarHBondContact O-N 3.11Å; A151-L156 HydrophobicContact CB-CB 4.28Å; A151-L156 PolarHBondContact O-N 3.37Å; A151-L159 HydrophobicContact CB-CB 4.14Å; A151-L159 HydrophobicContact CB-CD2 3.95Å; A151-L159 HydrophobicContact CB-CG 3.99Å; A151-E160 HydrophobicContact CB-CB 4.15Å
152	D	92.6	Very high	92.5	Very high	107 Å²	107	57.7 Å²	57.7	57%	0.572	29%	0.287	S	S	*	.	H	α-helix	trans	-65.3	-46.9	176.8	-172.2	52.3	0	0	0	111.3	Y148 F154 N155	Y148-D152 WeakPolarHBondContact O-CB 3.49Å; Y148-D152 PolarHBondContact O-N 3.43Å; D152-F154 VanDerWaalsContact C-N 3.33Å; D152-F154 PolarHBondContact O-N 3.19Å; D152-N155 PolarHBondContact O-N 3.44Å
153	L	92.1	Very high	92.9	Very high	113 Å²	113	51.4 Å²	51.4	59%	0.592	26%	0.259	S	S	*	.	H	α-helix	trans	-60.6	-38.8	-179.5	-175.8	66.8	0	0	0	113.2	R149 L150	R149-L153 VanDerWaalsContact O-CB 3.26Å; R149-L153 WeakPolarHBondContact O-CB 3.34Å; R149-L153 PolarHBondContact O-N 2.98Å; L150-L153 PolarHBondContact O-N 3.35Å
154	F	91.5	Very high	93	Very high	23 Å²	23	50.9 Å²	50.9	10%	0.101	26%	0.256	C	S	.	.	H	α-helix	trans	-106.3	7.4	-177.1	-60.4	-64.7	0	0	0	113.7	Q113 L116 A117 L150 D152 L156	Q113-F154 HydrophobicContact CG-CZ 4.42Å; L116-F154 HydrophobicContact CB-CD1 4.27Å; L116-F154 HydrophobicContact CB-CD2 3.71Å; L116-F154 HydrophobicContact CB-CE1 4.23Å; L116-F154 HydrophobicContact CB-CE2 3.64Å; L116-F154 HydrophobicContact CB-CG 4.02Å; L116-F154 HydrophobicContact CB-CZ 3.91Å; L116-F154 HydrophobicContact CD1-CD2 3.84Å; L116-F154 HydrophobicContact CD1-CE2 4.02Å; L116-F154 HydrophobicContact CG-CD2 4.33Å; L116-F154 HydrophobicContact CG-CE2 4.49Å; A117-F154 VanDerWaalsContact CA-CE1 3.49Å; A117-F154 HydrophobicContact CB-CE1 3.93Å; A117-F154 HydrophobicContact CB-CZ 4.13Å; L150-F154 HydrophobicContact CD2-CD2 4.46Å; L150-F154 HydrophobicContact CD2-CE2 3.94Å; L150-F154 VanDerWaalsContact O-CD2 3.29Å; L150-F154 WeakPolarHBondContact O-CD2 3.35Å; L150-F154 PolarHBondContact O-N 3.49Å; D152-F154 VanDerWaalsContact C-N 3.33Å; D152-F154 PolarHBondContact O-N 3.19Å; F154-L156 VanDerWaalsContact C-N 3.33Å; F154-L156 HydrophobicContact CB-CD1 4.26Å; F154-L156 HydrophobicContact CB-CD2 4.16Å; F154-L156 HydrophobicContact CB-CG 3.88Å; F154-L156 PolarHBondContact O-N 3.27Å
155	N	90.9	Very high	93.1	Very high	124 Å²	124	52.7 Å²	52.7	66%	0.663	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	43.2	-179.4	-160.6	65	0	0	0	113.7	A151 D152 T157	A151-N155 CarbonylContact O-C 3.58Å; A151-N155 WeakPolarHBondContact O-CA 3.38Å; A151-N155 PolarHBondContact O-N 3.11Å; D152-N155 PolarHBondContact O-N 3.44Å; N155-T157 PolarHBondContact O-N 3.15Å
156	L	92.1	Very high	93.1	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	27%	0.268	C	S	.	.			trans	-84.7	81.9	-178.4	-53.7	176.4	0	0	0	111.2	L116 L128 A151 F154 L158 L159 E160	L116-L156 HydrophobicContact CD1-CD1 4.21Å; L116-L156 HydrophobicContact CD2-CD1 3.85Å; L116-L156 HydrophobicContact CD2-CD2 4.32Å; L128-L156 HydrophobicContact CB-CD2 4.24Å; L128-L156 HydrophobicContact CD2-CD2 4.29Å; A151-L156 HydrophobicContact CB-CB 4.28Å; A151-L156 PolarHBondContact O-N 3.37Å; F154-L156 VanDerWaalsContact C-N 3.33Å; F154-L156 HydrophobicContact CB-CD1 4.26Å; F154-L156 HydrophobicContact CB-CD2 4.16Å; F154-L156 HydrophobicContact CB-CG 3.88Å; F154-L156 PolarHBondContact O-N 3.27Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.41Å; L156-L159 HydrophobicContact CB-CB 4.05Å; L156-L159 HydrophobicContact CD1-CD2 4.11Å; L156-L159 PolarHBondContact O-N 3.22Å; L156-L159 VanDerWaalsContact O-N 3.11Å; L156-E160 PolarHBondContact O-N 3.26Å
157	T	91.9	Very high	93.2	Very high	87 Å²	87	49.4 Å²	49.4	53%	0.534	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-32.7	-173.9	61	0	0	0	0	114.6	N155 K161	N155-T157 PolarHBondContact O-N 3.15Å; T157-K161 WeakPolarHBondContact O-CB 3.35Å; T157-K161 PolarHBondContact O-N 3.02Å; T157-K161 VanDerWaalsContact O-N 3.07Å
158	L	93.3	Very high	93.1	Very high	79 Å²	79	49 Å²	49	41%	0.414	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-43.4	176.6	-67.7	175.5	0	0	0	111.8	I136 L156 A162	I136-L158 HydrophobicContact CD1-CB 4.36Å; L156-L158 VanDerWaalsContact C-N 3.29Å; L156-L158 PolarHBondContact O-N 3.41Å; L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 2.96Å; L158-A162 VanDerWaalsContact O-N 3.11Å
159	L	94.7	Very high	92.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-43.9	178.3	179.5	61.4	0	0	0	110.8	L135 I136 A151 L156 K161 A162 V163	L135-L159 HydrophobicContact CB-CD1 3.86Å; L135-L159 HydrophobicContact CB-CD2 3.89Å; L135-L159 HydrophobicContact CD1-CD2 3.61Å; L135-L159 HydrophobicContact CG-CD2 4.41Å; I136-L159 HydrophobicContact CG1-CD1 3.78Å; A151-L159 HydrophobicContact CB-CB 4.14Å; A151-L159 HydrophobicContact CB-CD2 3.95Å; A151-L159 HydrophobicContact CB-CG 3.99Å; L156-L159 HydrophobicContact CB-CB 4.05Å; L156-L159 HydrophobicContact CD1-CD2 4.11Å; L156-L159 PolarHBondContact O-N 3.22Å; L156-L159 VanDerWaalsContact O-N 3.11Å; L159-K161 VanDerWaalsContact C-N 3.34Å; L159-K161 PolarHBondContact O-N 2.87Å; L159-A162 WeakPolarHBondContact O-CB 3.24Å; L159-A162 PolarHBondContact O-N 3.45Å; L159-A162 VanDerWaalsContact O-N 3.11Å; L159-V163 HydrophobicContact CD1-CG2 4.38Å; L159-V163 WeakPolarHBondContact O-CG2 3.25Å; L159-V163 PolarHBondContact O-N 3.2Å
160	E	94.4	Very high	92.6	Very high	53 Å²	53	50.8 Å²	50.8	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-54.9	-49.9	176.4	-171	-168.8	166.8	0	0	111.2	Y148 A151 L156 A162 V163 I164	Y148-E160 HydrophobicContact CD2-CG 4.32Å; Y148-E160 HydrophobicContact CE2-CG 3.9Å; A151-E160 HydrophobicContact CB-CB 4.15Å; L156-E160 PolarHBondContact O-N 3.26Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 3.04Å; E160-V163 PolarHBondContact O-N 3.03Å; E160-I164 HydrophobicContact CG-CD1 4.15Å; E160-I164 WeakPolarHBondContact O-CG1 3.43Å; E160-I164 PolarHBondContact O-N 2.68Å
161	K	94.6	Very high	92.5	Very high	133 Å²	133	49.4 Å²	49.4	58%	0.578	25%	0.25	S	S	*	.	H	α-helix	trans	-60.5	-41	176.6	-175.8	178.8	177.1	-176.6	0	112.3	T157 L159 V163 I164 D165	T157-K161 WeakPolarHBondContact O-CB 3.35Å; T157-K161 PolarHBondContact O-N 3.02Å; T157-K161 VanDerWaalsContact O-N 3.07Å; L159-K161 VanDerWaalsContact C-N 3.34Å; L159-K161 PolarHBondContact O-N 2.87Å; K161-V163 VanDerWaalsContact C-N 3.35Å; K161-I164 PolarHBondContact O-N 2.88Å; K161-D165 WeakPolarHBondContact O-CB 3.22Å; K161-D165 PolarHBondContact O-N 3.33Å
162	A	94.8	Very high	92.3	Very high	21 Å²	21	50.3 Å²	50.3	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-39.4	177.4	0	0	0	0	0	112	I136 L139 L158 L159 E160 D165 F166	I136-A162 HydrophobicContact CD1-CB 4.09Å; I136-A162 HydrophobicContact CG1-CB 3.73Å; I136-A162 HydrophobicContact CG2-CB 4.13Å; L139-A162 HydrophobicContact CD2-CB 4.41Å; L158-A162 WeakPolarHBondContact O-CB 3.46Å; L158-A162 PolarHBondContact O-N 2.96Å; L158-A162 VanDerWaalsContact O-N 3.11Å; L159-A162 WeakPolarHBondContact O-CB 3.24Å; L159-A162 PolarHBondContact O-N 3.45Å; L159-A162 VanDerWaalsContact O-N 3.11Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 3.04Å; A162-D165 PolarHBondContact O-N 2.61Å; A162-F166 WeakPolarHBondContact O-CB 3.3Å; A162-F166 PolarHBondContact O-N 2.96Å
163	V	95.3	Very high	92.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-43.9	174.7	176.8	0	0	0	0	111.2	L139 L147 Y148 L159 E160 K161 D165 F166 L167	L139-V163 HydrophobicContact CD1-CG2 3.91Å; L139-V163 HydrophobicContact CD2-CG2 4.47Å; L147-V163 HydrophobicContact CB-CG2 4.33Å; Y148-V163 HydrophobicContact CD2-CG1 4.46Å; L159-V163 HydrophobicContact CD1-CG2 4.38Å; L159-V163 WeakPolarHBondContact O-CG2 3.25Å; L159-V163 PolarHBondContact O-N 3.2Å; E160-V163 PolarHBondContact O-N 3.03Å; K161-V163 VanDerWaalsContact C-N 3.35Å; V163-D165 PolarHBondContact O-N 3.33Å; V163-F166 WeakPolarHBondContact O-CB 3.16Å; V163-F166 PolarHBondContact O-N 3.3Å; V163-L167 HydrophobicContact CG1-CD1 4.42Å; V163-L167 PolarHBondContact O-N 3.07Å
164	I	94.6	Very high	92	Very high	24 Å²	24	43.3 Å²	43.3	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-59.4	-47.6	174.9	-66.7	162.8	0	0	0	110.2	E160 K161 F166 L167 V168 L189 E192 V193	E160-I164 HydrophobicContact CG-CD1 4.15Å; E160-I164 WeakPolarHBondContact O-CG1 3.43Å; E160-I164 PolarHBondContact O-N 2.68Å; K161-I164 PolarHBondContact O-N 2.88Å; I164-F166 VanDerWaalsContact C-N 3.31Å; I164-F166 PolarHBondContact O-N 2.84Å; I164-L167 PolarHBondContact O-N 3.44Å; I164-V168 HydrophobicContact CG2-CG2 4.23Å; I164-V168 WeakPolarHBondContact O-CB 3.01Å; I164-V168 WeakPolarHBondContact O-CG2 3.28Å; I164-V168 PolarHBondContact O-N 3.25Å; I164-L189 HydrophobicContact CG1-CD1 3.71Å; I164-E192 HydrophobicContact CD1-CB 3.92Å; I164-E192 HydrophobicContact CD1-CG 4.42Å; I164-E192 HydrophobicContact CG1-CB 4.43Å; I164-V193 HydrophobicContact CG2-CG2 4.43Å
165	D	92.4	Very high	91.8	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-36.1	179	-80.3	-28.3	0	0	0	112.5	K161 A162 V163 K169 R198	K161-D165 WeakPolarHBondContact O-CB 3.22Å; K161-D165 PolarHBondContact O-N 3.33Å; A162-D165 PolarHBondContact O-N 2.61Å; V163-D165 PolarHBondContact O-N 3.33Å; D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.4Å; D165-K169 PolarHBondContact O-N 3.22Å; D165-R198 IonicContact OD1-CZ 3.25Å; D165-R198 IonicContact OD1-NE 3.53Å; D165-R198 IonicContact OD1-NH2 2.76Å; D165-R198 PolarHBondContact OD1-NH2 3.47Å; D165-R198 IonicContact OD2-NH2 3.67Å
166	F	93.1	Very high	91.7	Very high	33 Å²	33	46.7 Å²	46.7	15%	0.145	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-49.4	172.7	175.9	-94	0	0	0	111.4	L139 Y144 A162 V163 I164 V168 K169 H170 L174	L139-F166 HydrophobicContact CD2-CB 3.62Å; L139-F166 HydrophobicContact CD2-CD2 4.28Å; L139-F166 HydrophobicContact CD2-CG 3.98Å; L139-F166 HydrophobicContact CG-CB 4.31Å; L139-F166 HydrophobicContact CG-CD2 4.24Å; L139-F166 HydrophobicContact CG-CG 4.13Å; Y144-F166 HydrophobicContact CD1-CE1 4.36Å; Y144-F166 HydrophobicContact CG-CE1 4.32Å; A162-F166 WeakPolarHBondContact O-CB 3.3Å; A162-F166 PolarHBondContact O-N 2.96Å; V163-F166 WeakPolarHBondContact O-CB 3.16Å; V163-F166 PolarHBondContact O-N 3.3Å; I164-F166 VanDerWaalsContact C-N 3.31Å; I164-F166 PolarHBondContact O-N 2.84Å; F166-V168 PolarHBondContact O-N 3.25Å; F166-K169 PolarHBondContact O-N 2.76Å; F166-H170 AromaticContact CD2-CD2 3.53Å; F166-H170 AromaticContact CE2-CD2 3.49Å; F166-H170 VanDerWaalsContact CE2-CD2 3.49Å; F166-H170 WeakPolarHBondContact CE2-CD2 3.28Å; F166-H170 AromaticContact CE2-NE2 4Å; F166-H170 HydrophobicContact CZ-CB 4.39Å; F166-H170 PolarHBondContact O-CD2 3.36Å; F166-H170 VanDerWaalsContact O-CD2 3.27Å; F166-H170 PolarHBondContact O-N 3.49Å; F166-L174 HydrophobicContact CE1-CD1 4.42Å
167	L	92.4	Very high	91.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-46.9	177.9	-80.9	179.6	0	0	0	111.9	Y144 V163 I164 K169 H170 L171 L174 L185 L189 V193	Y144-L167 HydrophobicContact CD2-CD1 4.23Å; Y144-L167 HydrophobicContact CD2-CD2 3.73Å; Y144-L167 HydrophobicContact CD2-CG 4.1Å; Y144-L167 HydrophobicContact CE2-CD1 4.31Å; Y144-L167 HydrophobicContact CE2-CD2 3.57Å; Y144-L167 HydrophobicContact CE2-CG 4.32Å; V163-L167 HydrophobicContact CG1-CD1 4.42Å; V163-L167 PolarHBondContact O-N 3.07Å; I164-L167 PolarHBondContact O-N 3.44Å; L167-K169 PolarHBondContact O-N 3.19Å; L167-K169 VanDerWaalsContact O-N 3.17Å; L167-H170 PolarHBondContact O-N 2.99Å; L167-L171 WeakPolarHBondContact O-CA 3.28Å; L167-L171 VanDerWaalsContact O-CB 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 PolarHBondContact O-N 3.06Å; L167-L174 HydrophobicContact CD2-CD1 3.51Å; L167-L185 HydrophobicContact CD1-CD2 4.26Å; L167-L189 HydrophobicContact CD1-CD1 3.83Å; L167-L189 HydrophobicContact CD1-CD2 3.66Å; L167-L189 HydrophobicContact CD1-CG 3.73Å; L167-V193 HydrophobicContact CB-CG2 3.84Å; L167-V193 HydrophobicContact CD1-CG2 4.04Å
168	V	91.8	Very high	91.3	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-55.4	-36.3	178.1	167.6	0	0	0	0	111.8	I164 F166 V193 R198 L199	I164-V168 HydrophobicContact CG2-CG2 4.23Å; I164-V168 WeakPolarHBondContact O-CB 3.01Å; I164-V168 WeakPolarHBondContact O-CG2 3.28Å; I164-V168 PolarHBondContact O-N 3.25Å; F166-V168 PolarHBondContact O-N 3.25Å; V168-V193 HydrophobicContact CG2-CB 4.48Å; V168-V193 HydrophobicContact CG2-CG1 4.16Å; V168-V193 HydrophobicContact CG2-CG2 4.41Å; V168-R198 HydrophobicContact CG1-CB 3.73Å; V168-R198 WeakPolarHBondContact CG1-O 3.22Å; V168-L199 HydrophobicContact CG1-CB 4.26Å
169	K	87.8	Confident	91	Very high	129 Å²	129	49.2 Å²	49.2	56%	0.561	24%	0.242	S	C	*	.	H	α-helix	trans	-78.4	-40.4	177.7	-71.2	173.1	-177.6	179.2	0	113.5	D165 F166 L167	D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.4Å; D165-K169 PolarHBondContact O-N 3.22Å; F166-K169 PolarHBondContact O-N 2.76Å; L167-K169 PolarHBondContact O-N 3.19Å; L167-K169 VanDerWaalsContact O-N 3.17Å
170	H	88.4	Confident	90.6	Very high	57 Å²	57	54.7 Å²	54.7	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-107.1	2.1	-168.1	-64.3	-75.6	0	0	0	114.9	F166 L167 S172 E173 L174	F166-H170 AromaticContact CD2-CD2 3.53Å; F166-H170 AromaticContact CE2-CD2 3.49Å; F166-H170 VanDerWaalsContact CE2-CD2 3.49Å; F166-H170 WeakPolarHBondContact CE2-CD2 3.28Å; F166-H170 AromaticContact CE2-NE2 4Å; F166-H170 HydrophobicContact CZ-CB 4.39Å; F166-H170 PolarHBondContact O-CD2 3.36Å; F166-H170 VanDerWaalsContact O-CD2 3.27Å; F166-H170 PolarHBondContact O-N 3.49Å; L167-H170 PolarHBondContact O-N 2.99Å; H170-S172 VanDerWaalsContact C-N 3.29Å; H170-S172 PolarHBondContact O-N 3.39Å; H170-S172 VanDerWaalsContact O-N 3.17Å; H170-E173 IonicContact CE1-OE2 2.69Å; H170-E173 IonicContact CG-OE2 3.81Å; H170-E173 IonicContact ND1-OE2 2.68Å; H170-E173 PolarHBondContact ND1-OE2 3.47Å; H170-E173 PolarHBondContact O-N 3.15Å; H170-L174 HydrophobicContact CB-CD1 4.43Å; H170-L174 HydrophobicContact CB-CG 4.48Å; H170-L174 WeakPolarHBondContact O-CG 3.31Å; H170-L174 PolarHBondContact O-N 2.98Å
171	L	90.3	Very high	90.3	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-53.7	-42	-175.1	-168.3	61.8	0	0	0	113.6	L167 E173 L174 L175 V182 V193 L199 L202 L210	L167-L171 WeakPolarHBondContact O-CA 3.28Å; L167-L171 VanDerWaalsContact O-CB 3.26Å; L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 PolarHBondContact O-N 3.06Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.94Å; L171-L174 PolarHBondContact O-N 3.39Å; L171-L175 HydrophobicContact CG-CD1 4.32Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 WeakPolarHBondContact O-CG 3.22Å; L171-L175 PolarHBondContact O-N 3.07Å; L171-V182 HydrophobicContact CD1-CG1 3.99Å; L171-V193 HydrophobicContact CD2-CG1 4.12Å; L171-L199 HydrophobicContact CB-CD1 4.2Å; L171-L199 HydrophobicContact CD2-CD1 3.82Å; L171-L199 HydrophobicContact CD2-CD2 4.38Å; L171-L202 HydrophobicContact CD2-CD1 3.65Å; L171-L202 HydrophobicContact CG-CD1 3.95Å; L171-L210 HydrophobicContact CD2-CD2 4.02Å
172	S	89.6	Confident	90	Very high	20 Å²	20	48.3 Å²	48.3	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-34.9	178.4	-171.8	0	0	0	0	113.3	H170 K176 S201	H170-S172 VanDerWaalsContact C-N 3.29Å; H170-S172 PolarHBondContact O-N 3.39Å; H170-S172 VanDerWaalsContact O-N 3.17Å; S172-K176 WeakPolarHBondContact O-CG 3.39Å; S172-K176 PolarHBondContact O-N 3.16Å; S172-S201 VanDerWaalsContact CB-O 3.31Å; S172-S201 WeakPolarHBondContact CB-O 3.31Å; S172-S201 PolarHBondContact OG-O 3.3Å
173	E	87.9	Confident	89.7	Confident	68 Å²	68	48.3 Å²	48.3	32%	0.318	24%	0.238	S	C	.	.	H	α-helix	trans	-74.6	-39.3	175.4	-63.6	178	146.2	0	0	111.3	H170 L171 K176 S177 Q611	H170-E173 IonicContact CE1-OE2 2.69Å; H170-E173 IonicContact CG-OE2 3.81Å; H170-E173 IonicContact ND1-OE2 2.68Å; H170-E173 PolarHBondContact ND1-OE2 3.47Å; H170-E173 PolarHBondContact O-N 3.15Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.94Å; E173-K176 PolarHBondContact O-N 3.1Å; E173-S177 WeakPolarHBondContact O-CB 3.4Å; E173-S177 PolarHBondContact O-N 3.37Å; E173-S177 PolarHBondContact O-OG 3.2Å; E173-Q611 VanDerWaalsContact CD-CD 3.47Å; E173-Q611 VanDerWaalsContact CD-NE2 3.29Å; E173-Q611 PolarHBondContact OE1-NE2 2.94Å; E173-Q611 PolarHBondContact OE1-OE1 3.37Å
174	L	89.4	Confident	89.5	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-40.9	177.2	-67.5	173.3	0	0	0	111.5	Y144 F166 L167 H170 L171 K176 S177 R178 V182	Y144-L174 HydrophobicContact CE1-CD1 4.35Å; Y144-L174 HydrophobicContact CE1-CD2 4.31Å; F166-L174 HydrophobicContact CE1-CD1 4.42Å; L167-L174 HydrophobicContact CD2-CD1 3.51Å; H170-L174 HydrophobicContact CB-CD1 4.43Å; H170-L174 HydrophobicContact CB-CG 4.48Å; H170-L174 WeakPolarHBondContact O-CG 3.31Å; H170-L174 PolarHBondContact O-N 2.98Å; L171-L174 PolarHBondContact O-N 3.39Å; L174-K176 VanDerWaalsContact C-N 3.26Å; L174-K176 PolarHBondContact O-N 2.82Å; L174-S177 WeakPolarHBondContact CA-OG 3.15Å; L174-S177 PolarHBondContact O-N 3.01Å; L174-S177 PolarHBondContact O-OG 2.81Å; L174-R178 CarbonylContact O-C 3.6Å; L174-R178 VanDerWaalsContact O-C 3.25Å; L174-R178 WeakPolarHBondContact O-CA 3.41Å; L174-R178 PolarHBondContact O-N 3.26Å; L174-V182 HydrophobicContact CB-CG2 4.06Å
175	L	88.8	Confident	89.3	Confident	46 Å²	46	50.7 Å²	50.7	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-32.9	174.6	-76.1	171	0	0	0	113.3	L171 V182 L202 L210	L171-L175 HydrophobicContact CG-CD1 4.32Å; L171-L175 WeakPolarHBondContact O-CB 3.44Å; L171-L175 WeakPolarHBondContact O-CG 3.22Å; L171-L175 PolarHBondContact O-N 3.07Å; L175-V182 HydrophobicContact CD2-CB 4.12Å; L175-V182 HydrophobicContact CD2-CG1 3.83Å; L175-V182 HydrophobicContact CD2-CG2 4.25Å; L175-L202 HydrophobicContact CD1-CD1 3.55Å; L175-L202 HydrophobicContact CD1-CD2 3.93Å; L175-L202 HydrophobicContact CD1-CG 4.36Å; L175-L210 HydrophobicContact CD1-CD2 4.31Å; L175-L210 HydrophobicContact CD2-CD1 3.73Å; L175-L210 HydrophobicContact CD2-CD2 4.46Å
176	K	88.3	Confident	89.3	Confident	173 Å²	173	51.1 Å²	51.1	75%	0.752	26%	0.258	S	S	*	.	H	α-helix	trans	-78.4	-37.9	177.9	-70.2	171.5	-173.7	172.6	0	112.5	S172 E173 L174	S172-K176 WeakPolarHBondContact O-CG 3.39Å; S172-K176 PolarHBondContact O-N 3.16Å; E173-K176 PolarHBondContact O-N 3.1Å; L174-K176 VanDerWaalsContact C-N 3.26Å; L174-K176 PolarHBondContact O-N 2.82Å
177	S	88.4	Confident	89.2	Confident	78 Å²	78	50.9 Å²	50.9	55%	0.545	26%	0.257	S	S	.	.	H	α-helix	trans	-86.7	-40.5	-174.8	55	0	0	0	0	112.9	E173 L174	E173-S177 WeakPolarHBondContact O-CB 3.4Å; E173-S177 PolarHBondContact O-N 3.37Å; E173-S177 PolarHBondContact O-OG 3.2Å; L174-S177 WeakPolarHBondContact CA-OG 3.15Å; L174-S177 PolarHBondContact O-N 3.01Å; L174-S177 PolarHBondContact O-OG 2.81Å
178	R	86.9	Confident	89.2	Confident	92 Å²	92	54.3 Å²	54.3	35%	0.347	28%	0.28	S	S	.	.			trans	-148	71.9	-170.8	-62.2	-172.9	171.4	-159.6	-13.7	111.8	L174 E180 D181	L174-R178 CarbonylContact O-C 3.6Å; L174-R178 VanDerWaalsContact O-C 3.25Å; L174-R178 WeakPolarHBondContact O-CA 3.41Å; L174-R178 PolarHBondContact O-N 3.26Å; R178-E180 VanDerWaalsContact C-N 3.3Å; R178-E180 PolarHBondContact O-N 2.88Å; R178-D181 HydrophobicContact CB-CB 4.29Å; R178-D181 VanDerWaalsContact CD-OD2 3.24Å; R178-D181 WeakPolarHBondContact CD-OD2 3.44Å; R178-D181 IonicContact NH1-OD2 3.15Å; R178-D181 PolarHBondContact NH1-OD2 2.89Å; R178-D181 PolarHBondContact O-N 2.89Å
179	P	87.2	Confident	89.3	Confident	57 Å²	57	54.2 Å²	54.2	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-36.7	-178.4	24.8	-33.7	0	0	0	112.9	D181 V182 L183	P179-D181 PolarHBondContact O-N 3.43Å; P179-V182 PolarHBondContact O-N 3.14Å; P179-L183 WeakPolarHBondContact O-CG 3.4Å; P179-L183 PolarHBondContact O-N 2.75Å; P179-L183 VanDerWaalsContact O-N 3.16Å
180	E	87.4	Confident	89.5	Confident	114 Å²	114	48.1 Å²	48.1	53%	0.533	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-43.4	-178.1	-57.9	-56.3	151.7	0	0	112.4	R178 V182 L183 T184 H217	R178-E180 VanDerWaalsContact C-N 3.3Å; R178-E180 PolarHBondContact O-N 2.88Å; E180-V182 PolarHBondContact O-N 3.26Å; E180-L183 PolarHBondContact O-N 2.92Å; E180-T184 PolarHBondContact O-N 2.89Å; E180-H217 IonicContact OE2-NE2 3.44Å
181	D	86.4	Confident	89.8	Confident	51 Å²	51	47.2 Å²	47.2	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-39	178.2	-67.4	-0.5	0	0	0	111	L145 R178 P179 L183 T184	L145-D181 HydrophobicContact CD1-CB 4.33Å; R178-D181 HydrophobicContact CB-CB 4.29Å; R178-D181 VanDerWaalsContact CD-OD2 3.24Å; R178-D181 WeakPolarHBondContact CD-OD2 3.44Å; R178-D181 IonicContact NH1-OD2 3.15Å; R178-D181 PolarHBondContact NH1-OD2 2.89Å; R178-D181 PolarHBondContact O-N 2.89Å; P179-D181 PolarHBondContact O-N 3.43Å; D181-L183 VanDerWaalsContact C-N 3.35Å; D181-L183 PolarHBondContact O-N 3.28Å; D181-T184 PolarHBondContact O-N 3.08Å; D181-T184 PolarHBondContact O-OG1 3.25Å
182	V	88.4	Confident	90	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-34	178	-175.4	0	0	0	0	111.5	L171 L174 L175 P179 E180 T184 L185 L210	L171-V182 HydrophobicContact CD1-CG1 3.99Å; L174-V182 HydrophobicContact CB-CG2 4.06Å; L175-V182 HydrophobicContact CD2-CB 4.12Å; L175-V182 HydrophobicContact CD2-CG1 3.83Å; L175-V182 HydrophobicContact CD2-CG2 4.25Å; P179-V182 PolarHBondContact O-N 3.14Å; E180-V182 PolarHBondContact O-N 3.26Å; V182-T184 PolarHBondContact O-N 2.93Å; V182-L185 HydrophobicContact CB-CD1 4.42Å; V182-L185 HydrophobicContact CG1-CD1 3.7Å; V182-L185 WeakPolarHBondContact O-CB 3.34Å; V182-L185 WeakPolarHBondContact O-CD1 3.27Å; V182-L185 WeakPolarHBondContact O-CG 3.37Å; V182-L185 PolarHBondContact O-N 2.79Å; V182-L210 HydrophobicContact CG1-CD1 3.98Å; V182-L210 HydrophobicContact CG1-CD2 4.47Å
183	L	89.6	Confident	90.2	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-70.5	-19.6	175.7	-63.2	177.2	0	0	0	112.7	P179 E180 D181 R213 W214 H217	P179-L183 WeakPolarHBondContact O-CG 3.4Å; P179-L183 PolarHBondContact O-N 2.75Å; P179-L183 VanDerWaalsContact O-N 3.16Å; E180-L183 PolarHBondContact O-N 2.92Å; D181-L183 VanDerWaalsContact C-N 3.35Å; D181-L183 PolarHBondContact O-N 3.28Å; L183-R213 HydrophobicContact CD2-CB 3.87Å; L183-W214 HydrophobicContact CD2-CB 4.34Å; L183-W214 VanDerWaalsContact O-CD1 3.29Å; L183-W214 PolarHBondContact O-NE1 3.29Å; L183-H217 HydrophobicContact CB-CB 4.44Å
184	T	90.1	Very high	90.4	Very high	69 Å²	69	46.3 Å²	46.3	42%	0.423	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.2	175.7	68.1	0	0	0	0	114.5	E180 D181 V182	E180-T184 PolarHBondContact O-N 2.89Å; D181-T184 PolarHBondContact O-N 3.08Å; D181-T184 PolarHBondContact O-OG1 3.25Å; V182-T184 PolarHBondContact O-N 2.93Å
185	L	91.4	Very high	90.6	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	26%	0.261	C	S	.	.			trans	-59	137.1	-179.2	-72.9	170.3	0	0	0	112	Y144 L145 L167 V182 L189 W214	Y144-L185 HydrophobicContact CE2-CD2 4.02Å; L145-L185 HydrophobicContact CD2-CD2 3.44Å; L145-L185 VanDerWaalsContact CD2-CD2 3.44Å; L167-L185 HydrophobicContact CD1-CD2 4.26Å; V182-L185 HydrophobicContact CB-CD1 4.42Å; V182-L185 HydrophobicContact CG1-CD1 3.7Å; V182-L185 WeakPolarHBondContact O-CB 3.34Å; V182-L185 WeakPolarHBondContact O-CD1 3.27Å; V182-L185 WeakPolarHBondContact O-CG 3.37Å; V182-L185 PolarHBondContact O-N 2.79Å; L185-L189 HydrophobicContact CD2-CD2 3.77Å; L185-L189 HydrophobicContact CD2-CG 4.45Å; L185-W214 PolarHBondContact O-NE1 3.41Å
186	P	92	Very high	90.7	Very high	49 Å²	49	49.3 Å²	49.3	32%	0.318	26%	0.256	S	S	.	.			trans	-58.9	144.9	169.3	-23.2	34.2	0	0	0	111.7	Y148 C188 L189 L190	Y148-P186 HydrophobicContact CD1-CG 4.16Å; Y148-P186 HydrophobicContact CE1-CB 4.17Å; Y148-P186 HydrophobicContact CE1-CG 3.95Å; P186-C188 VanDerWaalsContact C-N 3.34Å; P186-C188 PolarHBondContact O-N 3.09Å; P186-L189 HydrophobicContact CB-CB 4.46Å; P186-L189 PolarHBondContact O-N 3.25Å; P186-L190 PolarHBondContact O-N 3.34Å; P186-L190 VanDerWaalsContact O-N 3.07Å
187	Y	91.6	Very high	90.8	Very high	29 Å²	29	43.7 Å²	43.7	11%	0.114	23%	0.234	C	C	.	.	H	α-helix	trans	-53.7	-48.1	179.9	170.8	-106.5	0	0	0	112.5	L189 L190 Q191 W214 H223 E226 L227	Y187-L189 VanDerWaalsContact C-N 3.29Å; Y187-L189 PolarHBondContact O-N 3.48Å; Y187-L190 PolarHBondContact O-N 2.78Å; Y187-Q191 VanDerWaalsContact CE1-OE1 3.28Å; Y187-Q191 VanDerWaalsContact O-CB 3.28Å; Y187-Q191 WeakPolarHBondContact O-CB 3.22Å; Y187-Q191 PolarHBondContact O-N 3.32Å; Y187-W214 HydrophobicContact CD2-CH2 4.02Å; Y187-W214 HydrophobicContact CD2-CZ3 4.48Å; Y187-H223 AromaticContact CD1-CE1 3.93Å; Y187-H223 AromaticContact CD1-ND1 3.84Å; Y187-H223 HydrophobicContact CD2-CB 3.68Å; Y187-H223 AromaticContact CD2-CG 3.65Å; Y187-H223 AromaticContact CE1-ND1 3.73Å; Y187-H223 HydrophobicContact CE2-CB 3.53Å; Y187-H223 AromaticContact CE2-CG 3.79Å; Y187-H223 AromaticContact CE2-ND1 3.98Å; Y187-H223 HydrophobicContact CG-CB 4.41Å; Y187-H223 AromaticContact CG-CG 3.88Å; Y187-H223 AromaticContact CG-ND1 3.97Å; Y187-H223 AromaticContact CZ-ND1 3.79Å; Y187-E226 VanDerWaalsContact OH-CB 3.22Å; Y187-E226 WeakPolarHBondContact OH-CB 3.21Å; Y187-E226 PolarHBondContact OH-OE2 3.06Å; Y187-L227 HydrophobicContact CE2-CD1 4.35Å
188	C	91.6	Very high	90.8	Very high	72 Å²	72	45.4 Å²	45.4	49%	0.486	23%	0.228	S	C	.	.	H	α-helix	trans	-58.3	-40.9	-178.5	-54.7	0	0	0	0	112.4	P186 E192	P186-C188 VanDerWaalsContact C-N 3.34Å; P186-C188 PolarHBondContact O-N 3.09Å; C188-E192 PolarHBondContact O-N 3.43Å; C188-E192 VanDerWaalsContact O-N 3.15Å
189	L	92.9	Very high	90.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-68.4	-46.6	178.5	-176.3	53	0	0	0	111.3	Y148 I164 L167 L185 P186 Y187 Q191 E192 V193	Y148-L189 HydrophobicContact CD1-CD2 3.95Å; Y148-L189 HydrophobicContact CD2-CB 4.44Å; Y148-L189 HydrophobicContact CD2-CD1 3.72Å; Y148-L189 HydrophobicContact CD2-CD2 3.85Å; Y148-L189 HydrophobicContact CD2-CG 4.21Å; Y148-L189 HydrophobicContact CE1-CB 4.04Å; Y148-L189 HydrophobicContact CE1-CD2 4.31Å; Y148-L189 HydrophobicContact CE2-CB 3.94Å; Y148-L189 HydrophobicContact CE2-CD1 3.63Å; Y148-L189 HydrophobicContact CE2-CD2 4.19Å; Y148-L189 HydrophobicContact CE2-CG 4.12Å; Y148-L189 HydrophobicContact CG-CD1 4.45Å; Y148-L189 HydrophobicContact CG-CD2 3.71Å; I164-L189 HydrophobicContact CG1-CD1 3.71Å; L167-L189 HydrophobicContact CD1-CD1 3.83Å; L167-L189 HydrophobicContact CD1-CD2 3.66Å; L167-L189 HydrophobicContact CD1-CG 3.73Å; L185-L189 HydrophobicContact CD2-CD2 3.77Å; L185-L189 HydrophobicContact CD2-CG 4.45Å; P186-L189 HydrophobicContact CB-CB 4.46Å; P186-L189 PolarHBondContact O-N 3.25Å; Y187-L189 VanDerWaalsContact C-N 3.29Å; Y187-L189 PolarHBondContact O-N 3.48Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 2.79Å; L189-E192 PolarHBondContact O-N 3.3Å; L189-V193 HydrophobicContact CD1-CG2 4.46Å; L189-V193 VanDerWaalsContact O-CG2 3.28Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 2.96Å
190	L	93.4	Very high	90.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-42.8	177.7	-179	62.2	0	0	0	111.1	P186 Y187 E192 V193 L194 W214 L227	P186-L190 PolarHBondContact O-N 3.34Å; P186-L190 VanDerWaalsContact O-N 3.07Å; Y187-L190 PolarHBondContact O-N 2.78Å; L190-E192 PolarHBondContact O-N 2.87Å; L190-V193 PolarHBondContact O-N 3.06Å; L190-L194 HydrophobicContact CD1-CD1 4.35Å; L190-L194 HydrophobicContact CD1-CD2 4.45Å; L190-L194 HydrophobicContact CD1-CG 4.11Å; L190-L194 HydrophobicContact CG-CD1 4.28Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.23Å; L190-L194 PolarHBondContact O-N 3.16Å; L190-W214 HydrophobicContact CD2-CB 4.34Å; L190-W214 HydrophobicContact CD2-CD2 3.54Å; L190-W214 HydrophobicContact CD2-CE3 3.99Å; L190-W214 HydrophobicContact CD2-CG 3.67Å; L190-W214 HydrophobicContact CD2-CZ2 4.36Å; L190-L227 HydrophobicContact CD2-CD1 3.97Å; L190-L227 HydrophobicContact CD2-CD2 4.31Å; L190-L227 HydrophobicContact CG-CD1 4.15Å
191	Q	94	Very high	90.5	Very high	39 Å²	39	34.5 Å²	34.5	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-56.4	-50.5	177.2	-179.1	-179.2	10.6	0	0	111.8	Y187 L189 V193 L194 K195 Y230	Y187-Q191 VanDerWaalsContact CE1-OE1 3.28Å; Y187-Q191 VanDerWaalsContact O-CB 3.28Å; Y187-Q191 WeakPolarHBondContact O-CB 3.22Å; Y187-Q191 PolarHBondContact O-N 3.32Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 2.79Å; Q191-V193 VanDerWaalsContact C-N 3.35Å; Q191-V193 PolarHBondContact O-N 3.18Å; Q191-L194 PolarHBondContact O-N 3.44Å; Q191-K195 VanDerWaalsContact O-CB 3.28Å; Q191-K195 WeakPolarHBondContact O-CB 3.33Å; Q191-K195 PolarHBondContact O-N 3.16Å; Q191-Y230 HydrophobicContact CG-CD2 4.34Å; Q191-Y230 HydrophobicContact CG-CE2 3.6Å; Q191-Y230 PolarHBondContact NE2-OH 2.77Å
192	E	93.8	Very high	90.5	Very high	66 Å²	66	32.4 Å²	32.4	31%	0.308	17%	0.168	S	C	.	.	H	α-helix	trans	-68.3	-33.4	-179.9	-72.3	-59.6	132	0	0	112.5	I164 C188 L189 L190 K195 S196	I164-E192 HydrophobicContact CD1-CB 3.92Å; I164-E192 HydrophobicContact CD1-CG 4.42Å; I164-E192 HydrophobicContact CG1-CB 4.43Å; C188-E192 PolarHBondContact O-N 3.43Å; C188-E192 VanDerWaalsContact O-N 3.15Å; L189-E192 PolarHBondContact O-N 3.3Å; L190-E192 PolarHBondContact O-N 2.87Å; E192-K195 PolarHBondContact O-N 2.7Å; E192-K195 IonicContact OE1-NZ 2.64Å; E192-K195 PolarHBondContact OE1-NZ 2.99Å; E192-K195 IonicContact OE2-NZ 3.39Å; E192-K195 PolarHBondContact OE2-NZ 3.2Å; E192-S196 PolarHBondContact O-N 3.16Å
193	V	94	Very high	90.6	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-47.7	172.7	172.1	0	0	0	0	111.2	I164 L167 V168 L171 L189 L190 Q191 K195 S196 L199	I164-V193 HydrophobicContact CG2-CG2 4.43Å; L167-V193 HydrophobicContact CB-CG2 3.84Å; L167-V193 HydrophobicContact CD1-CG2 4.04Å; V168-V193 HydrophobicContact CG2-CB 4.48Å; V168-V193 HydrophobicContact CG2-CG1 4.16Å; V168-V193 HydrophobicContact CG2-CG2 4.41Å; L171-V193 HydrophobicContact CD2-CG1 4.12Å; L189-V193 HydrophobicContact CD1-CG2 4.46Å; L189-V193 VanDerWaalsContact O-CG2 3.28Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 2.96Å; L190-V193 PolarHBondContact O-N 3.06Å; Q191-V193 VanDerWaalsContact C-N 3.35Å; Q191-V193 PolarHBondContact O-N 3.18Å; V193-K195 VanDerWaalsContact C-N 3.3Å; V193-K195 PolarHBondContact O-N 3.44Å; V193-S196 WeakPolarHBondContact O-CB 3.36Å; V193-S196 PolarHBondContact O-N 3.14Å; V193-L199 HydrophobicContact CG1-CD1 4.41Å; V193-L199 HydrophobicContact CG1-CD2 4.31Å
194	L	93.3	Very high	90.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-25.9	-179.8	-66.6	-170	0	0	0	113.3	L190 Q191 S196 L199 I207 L227 R285	L190-L194 HydrophobicContact CD1-CD1 4.35Å; L190-L194 HydrophobicContact CD1-CD2 4.45Å; L190-L194 HydrophobicContact CD1-CG 4.11Å; L190-L194 HydrophobicContact CG-CD1 4.28Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.23Å; L190-L194 PolarHBondContact O-N 3.16Å; Q191-L194 PolarHBondContact O-N 3.44Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-L199 HydrophobicContact CD2-CD2 4.08Å; L194-I207 HydrophobicContact CD2-CG2 3.6Å; L194-L227 HydrophobicContact CD1-CD1 3.61Å; L194-L227 HydrophobicContact CD1-CG 4.15Å; L194-R285 PolarHBondContact O-NH1 2.69Å; L194-R285 PolarHBondContact O-NH2 2.81Å
195	K	92.9	Very high	90.7	Very high	96 Å²	96	33.7 Å²	33.7	42%	0.417	17%	0.172	S	C	.	.	H	α-helix	trans	-72.7	-22.6	174.8	-176.2	177.7	168.2	-165	0	112.9	Q191 E192 V193 D197 Y230	Q191-K195 VanDerWaalsContact O-CB 3.28Å; Q191-K195 WeakPolarHBondContact O-CB 3.33Å; Q191-K195 PolarHBondContact O-N 3.16Å; E192-K195 PolarHBondContact O-N 2.7Å; E192-K195 IonicContact OE1-NZ 2.64Å; E192-K195 PolarHBondContact OE1-NZ 2.99Å; E192-K195 IonicContact OE2-NZ 3.39Å; E192-K195 PolarHBondContact OE2-NZ 3.2Å; V193-K195 VanDerWaalsContact C-N 3.3Å; V193-K195 PolarHBondContact O-N 3.44Å; K195-D197 PolarHBondContact O-N 3.26Å; K195-Y230 HydrophobicContact CB-CD1 4.22Å; K195-Y230 HydrophobicContact CB-CE1 4.4Å; K195-Y230 HydrophobicContact CG-CE1 4.44Å
196	S	91.8	Very high	90.7	Very high	18 Å²	18	37.5 Å²	37.5	13%	0.126	19%	0.189	C	C	.	.			trans	-69.5	123.8	-175.2	-174.2	0	0	0	0	113.6	E192 V193 L194 R198 L199 R285	E192-S196 PolarHBondContact O-N 3.16Å; V193-S196 WeakPolarHBondContact O-CB 3.36Å; V193-S196 PolarHBondContact O-N 3.14Å; L194-S196 VanDerWaalsContact C-N 3.3Å; S196-R198 PolarHBondContact O-N 3.31Å; S196-R198 PolarHBondContact OG-N 3.29Å; S196-L199 PolarHBondContact O-N 3.16Å; S196-R285 PolarHBondContact O-NH1 3.19Å
197	D	89.3	Confident	90.8	Very high	54 Å²	54	35.1 Å²	35.1	29%	0.289	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.4	170.5	-81.8	-7	0	0	0	112.5	K195 L199 R232 K283 R285 F286	K195-D197 PolarHBondContact O-N 3.26Å; D197-L199 VanDerWaalsContact C-N 3.34Å; D197-R232 IonicContact OD1-CZ 3.86Å; D197-R232 VanDerWaalsContact OD1-CZ 3.3Å; D197-R232 IonicContact OD1-NH1 2.72Å; D197-R232 PolarHBondContact OD1-NH1 3.41Å; D197-R232 VanDerWaalsContact OD1-NH1 3.1Å; D197-R232 IonicContact OD1-NH2 3.25Å; D197-R232 PolarHBondContact OD1-NH2 3.15Å; D197-K283 IonicContact OD2-NZ 3.06Å; D197-K283 PolarHBondContact OD2-NZ 3.48Å; D197-R285 CarbonylContact O-C 3.59Å; D197-R285 VanDerWaalsContact O-CA 3.28Å; D197-R285 WeakPolarHBondContact O-CA 3.49Å; D197-R285 WeakPolarHBondContact O-CB 3.24Å; D197-F286 PolarHBondContact O-N 2.97Å; D197-F286 VanDerWaalsContact O-O 3.1Å
198	R	88.8	Confident	90.8	Very high	115 Å²	115	34.2 Å²	34.2	43%	0.434	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.2	-178.4	-65.4	-166.6	-68.5	-87.9	3.3	114.1	D165 V168 S196 T200	D165-R198 IonicContact OD1-CZ 3.25Å; D165-R198 IonicContact OD1-NE 3.53Å; D165-R198 IonicContact OD1-NH2 2.76Å; D165-R198 PolarHBondContact OD1-NH2 3.47Å; D165-R198 IonicContact OD2-NH2 3.67Å; V168-R198 HydrophobicContact CG1-CB 3.73Å; V168-R198 WeakPolarHBondContact CG1-O 3.22Å; S196-R198 PolarHBondContact O-N 3.31Å; S196-R198 PolarHBondContact OG-N 3.29Å; R198-T200 PolarHBondContact O-N 3.01Å
199	L	89.1	Confident	90.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.			trans	-73.3	76.4	177.3	-179.2	64.9	0	0	0	110.3	V168 L171 V193 L194 S196 D197 I207 R285	V168-L199 HydrophobicContact CG1-CB 4.26Å; L171-L199 HydrophobicContact CB-CD1 4.2Å; L171-L199 HydrophobicContact CD2-CD1 3.82Å; L171-L199 HydrophobicContact CD2-CD2 4.38Å; V193-L199 HydrophobicContact CG1-CD1 4.41Å; V193-L199 HydrophobicContact CG1-CD2 4.31Å; L194-L199 HydrophobicContact CD2-CD2 4.08Å; S196-L199 PolarHBondContact O-N 3.16Å; D197-L199 VanDerWaalsContact C-N 3.34Å; L199-I207 HydrophobicContact CD2-CD1 3.79Å; L199-I207 HydrophobicContact CD2-CG1 4.2Å; L199-I207 HydrophobicContact CG-CD1 4.32Å; L199-R285 WeakPolarHBondContact O-CD 3.31Å
200	T	83.8	Confident	90.8	Very high	15 Å²	15	34.8 Å²	34.8	9%	0.092	17%	0.166	C	C	.	.			trans	-98.2	-2.5	-176.2	57.8	0	0	0	0	113.5	R198 L202 R285 Q287 Y601	R198-T200 PolarHBondContact O-N 3.01Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-R285 HydrophobicContact CG2-CB 4.35Å; T200-Q287 HydrophobicContact CG2-CG 4.02Å; T200-Q287 PolarHBondContact OG1-NE2 3.38Å; T200-Y601 WeakPolarHBondContact O-CD1 3.48Å
201	S	82.4	Confident	90.7	Very high	19 Å²	19	34.8 Å²	34.8	13%	0.133	17%	0.166	C	C	.	.	S	Bend	trans	-79.9	-13.5	-173.3	62.9	0	0	0	0	114.4	S172	S172-S201 VanDerWaalsContact CB-O 3.31Å; S172-S201 WeakPolarHBondContact CB-O 3.31Å; S172-S201 PolarHBondContact OG-O 3.3Å
202	L	87.3	Confident	90.5	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	16%	0.16	C	C	.	.	S	Bend	trans	-132.5	149.4	-177.6	-64.1	176.8	0	0	0	111.2	L171 L175 T200 Q206 I207 F602	L171-L202 HydrophobicContact CD2-CD1 3.65Å; L171-L202 HydrophobicContact CG-CD1 3.95Å; L175-L202 HydrophobicContact CD1-CD1 3.55Å; L175-L202 HydrophobicContact CD1-CD2 3.93Å; L175-L202 HydrophobicContact CD1-CG 4.36Å; T200-L202 VanDerWaalsContact C-N 3.34Å; L202-Q206 HydrophobicContact CB-CB 4.17Å; L202-Q206 HydrophobicContact CD2-CB 4.26Å; L202-I207 HydrophobicContact CB-CD1 4.39Å; L202-I207 HydrophobicContact CB-CG1 3.87Å; L202-I207 HydrophobicContact CD1-CG1 4.34Å; L202-F602 VanDerWaalsContact C-CZ 3.48Å; L202-F602 WeakPolarHBondContact O-CZ 3.32Å
203	S	89	Confident	90.3	Very high	28 Å²	28	37.3 Å²	37.3	20%	0.196	17%	0.172	C	C	.	.			trans	-76.8	158.5	171.6	70.8	0	0	0	0	110.4	E205 Q206 I207 F602	S203-E205 PolarHBondContact O-N 3.49Å; S203-Q206 WeakPolarHBondContact O-CB 3.5Å; S203-Q206 PolarHBondContact O-N 3.33Å; S203-Q206 WeakPolarHBondContact OG-CG 3.22Å; S203-Q206 PolarHBondContact OG-N 3.34Å; S203-I207 WeakPolarHBondContact O-CG1 3.22Å; S203-I207 PolarHBondContact O-N 3.47Å; S203-F602 VanDerWaalsContact N-CZ 3.31Å
204	E	91.3	Very high	90.3	Very high	15 Å²	15	37.4 Å²	37.4	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-29.5	176.4	-68.8	-66.9	160.9	0	0	112.2	I207 W208 R232 L235 M236 R285	E204-I207 PolarHBondContact O-N 3.21Å; E204-W208 WeakPolarHBondContact O-CB 3.47Å; E204-W208 PolarHBondContact O-N 3.37Å; E204-R232 VanDerWaalsContact CD-CB 3.46Å; E204-R232 HydrophobicContact CG-CB 3.99Å; E204-R232 WeakPolarHBondContact OE1-CD 3.49Å; E204-R232 IonicContact OE1-NE 2.7Å; E204-R232 WeakPolarHBondContact OE2-CB 3.49Å; E204-R232 PolarHBondContact OE2-N 3.35Å; E204-L235 HydrophobicContact CG-CB 3.99Å; E204-L235 HydrophobicContact CG-CD1 4.24Å; E204-M236 HydrophobicContact CB-CG 3.81Å; E204-R285 WeakPolarHBondContact OE1-CD 3.29Å; E204-R285 IonicContact OE1-CZ 3.28Å; E204-R285 IonicContact OE1-NE 3.2Å; E204-R285 PolarHBondContact OE1-NE 2.93Å; E204-R285 IonicContact OE1-NH2 2.69Å; E204-R285 PolarHBondContact OE1-NH2 3.27Å; E204-R285 IonicContact OE2-NH2 3.89Å
205	E	91.1	Very high	90.1	Very high	74 Å²	74	37.3 Å²	37.3	35%	0.346	17%	0.172	S	C	.	.	H	α-helix	trans	-64.2	-44.3	170.5	-175.4	-177.2	158.1	0	0	112.2	S203 I207 W208 Q209 M236 T240	S203-E205 PolarHBondContact O-N 3.49Å; E205-I207 VanDerWaalsContact C-N 3.34Å; E205-W208 WeakPolarHBondContact O-CB 3.37Å; E205-W208 PolarHBondContact O-N 2.82Å; E205-Q209 VanDerWaalsContact O-CG 3.31Å; E205-Q209 WeakPolarHBondContact O-CG 3.1Å; E205-Q209 PolarHBondContact O-N 2.83Å; E205-Q209 PolarHBondContact OE1-NE2 3.24Å; E205-M236 HydrophobicContact CB-CE 3.97Å; E205-M236 HydrophobicContact CG-CE 4.15Å; E205-T240 HydrophobicContact CG-CG2 3.86Å
206	Q	91.4	Very high	89.9	Confident	85 Å²	85	37.3 Å²	37.3	40%	0.397	17%	0.173	S	C	.	.	H	α-helix	trans	-67.2	-36.9	176.6	-71.4	172	-33.3	0	0	111.9	L202 S203 Q209 L210	L202-Q206 HydrophobicContact CB-CB 4.17Å; L202-Q206 HydrophobicContact CD2-CB 4.26Å; S203-Q206 WeakPolarHBondContact O-CB 3.5Å; S203-Q206 PolarHBondContact O-N 3.33Å; S203-Q206 WeakPolarHBondContact OG-CG 3.22Å; S203-Q206 PolarHBondContact OG-N 3.34Å; Q206-Q209 PolarHBondContact O-N 2.94Å; Q206-L210 WeakPolarHBondContact O-CB 3.49Å; Q206-L210 PolarHBondContact O-N 2.87Å
207	I	93.3	Very high	89.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-43.4	174.1	-68	167.9	0	0	0	110.2	L194 L199 L202 S203 E204 E205 L210 A211 I231	L194-I207 HydrophobicContact CD2-CG2 3.6Å; L199-I207 HydrophobicContact CD2-CD1 3.79Å; L199-I207 HydrophobicContact CD2-CG1 4.2Å; L199-I207 HydrophobicContact CG-CD1 4.32Å; L202-I207 HydrophobicContact CB-CD1 4.39Å; L202-I207 HydrophobicContact CB-CG1 3.87Å; L202-I207 HydrophobicContact CD1-CG1 4.34Å; S203-I207 WeakPolarHBondContact O-CG1 3.22Å; S203-I207 PolarHBondContact O-N 3.47Å; E204-I207 PolarHBondContact O-N 3.21Å; E205-I207 VanDerWaalsContact C-N 3.34Å; I207-L210 PolarHBondContact O-N 3.19Å; I207-A211 WeakPolarHBondContact O-CB 3.48Å; I207-A211 PolarHBondContact O-N 3.1Å; I207-I231 HydrophobicContact CG2-CG1 4.4Å
208	W	92.2	Very high	89.1	Confident	10 Å²	10	41.5 Å²	41.5	4%	0.038	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-50	173.1	162.7	-102	0	0	0	112.1	E204 E205 L210 A211 V212 L228 I231 F233 M236 V244 H248 V251	E204-W208 WeakPolarHBondContact O-CB 3.47Å; E204-W208 PolarHBondContact O-N 3.37Å; E205-W208 WeakPolarHBondContact O-CB 3.37Å; E205-W208 PolarHBondContact O-N 2.82Å; W208-L210 VanDerWaalsContact C-N 3.28Å; W208-L210 PolarHBondContact O-N 2.94Å; W208-A211 PolarHBondContact O-N 3.39Å; W208-V212 HydrophobicContact CD2-CG2 3.99Å; W208-V212 HydrophobicContact CE3-CG2 4.25Å; W208-V212 HydrophobicContact CH2-CG2 3.75Å; W208-V212 HydrophobicContact CZ2-CG2 3.46Å; W208-V212 VanDerWaalsContact CZ2-CG2 3.46Å; W208-V212 HydrophobicContact CZ3-CG2 4.16Å; W208-V212 WeakPolarHBondContact O-CG2 3.36Å; W208-V212 PolarHBondContact O-N 3.44Å; W208-L228 HydrophobicContact CE3-CD2 4.05Å; W208-L228 HydrophobicContact CH2-CD2 4.4Å; W208-L228 HydrophobicContact CZ3-CD1 4.48Å; W208-L228 HydrophobicContact CZ3-CD2 3.44Å; W208-L228 VanDerWaalsContact CZ3-CD2 3.44Å; W208-I231 HydrophobicContact CB-CG2 4.17Å; W208-I231 HydrophobicContact CE3-CD1 3.72Å; W208-I231 HydrophobicContact CZ3-CD1 4.41Å; W208-F233 HydrophobicContact CD2-CE1 4.09Å; W208-F233 HydrophobicContact CD2-CZ 4.43Å; W208-F233 AromaticContact CE3-CE1 3.57Å; W208-F233 HydrophobicContact CE3-CE1 3.57Å; W208-F233 AromaticContact CE3-CZ 3.48Å; W208-F233 HydrophobicContact CE3-CZ 3.48Å; W208-F233 VanDerWaalsContact CE3-CZ 3.48Å; W208-F233 AromaticContact CZ3-CE1 3.93Å; W208-F233 HydrophobicContact CZ3-CE1 3.93Å; W208-F233 AromaticContact CZ3-CZ 3.59Å; W208-F233 HydrophobicContact CZ3-CZ 3.59Å; W208-M236 HydrophobicContact CB-CE 4.49Å; W208-V244 HydrophobicContact CH2-CG1 4.41Å; W208-V244 HydrophobicContact CZ2-CG1 3.81Å; W208-H248 HydrophobicContact CZ2-CB 4.48Å; W208-H248 AromaticContact CZ2-CG 3.95Å; W208-V251 HydrophobicContact CH2-CG2 3.44Å; W208-V251 VanDerWaalsContact CH2-CG2 3.44Å; W208-V251 HydrophobicContact CZ2-CG2 3.78Å; W208-V251 HydrophobicContact CZ3-CG2 4.45Å
209	Q	91.3	Very high	88.6	Confident	75 Å²	75	40.1 Å²	40.1	35%	0.35	20%	0.199	S	C	.	.	H	α-helix	trans	-59.8	-39.1	177.8	-71	172.1	7	0	0	112.1	E205 Q206 R213	E205-Q209 VanDerWaalsContact O-CG 3.31Å; E205-Q209 WeakPolarHBondContact O-CG 3.1Å; E205-Q209 PolarHBondContact O-N 2.83Å; E205-Q209 PolarHBondContact OE1-NE2 3.24Å; Q206-Q209 PolarHBondContact O-N 2.94Å; Q209-R213 VanDerWaalsContact O-CG 3.31Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 3.35Å; Q209-R213 VanDerWaalsContact O-N 3.09Å
210	L	92.4	Very high	88.1	Confident	9 Å²	9	42.7 Å²	42.7	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-48.8	174.7	174	58.9	0	0	0	111.6	L171 L175 V182 Q206 I207 W208 V212 R213 W214	L171-L210 HydrophobicContact CD2-CD2 4.02Å; L175-L210 HydrophobicContact CD1-CD2 4.31Å; L175-L210 HydrophobicContact CD2-CD1 3.73Å; L175-L210 HydrophobicContact CD2-CD2 4.46Å; V182-L210 HydrophobicContact CG1-CD1 3.98Å; V182-L210 HydrophobicContact CG1-CD2 4.47Å; Q206-L210 WeakPolarHBondContact O-CB 3.49Å; Q206-L210 PolarHBondContact O-N 2.87Å; I207-L210 PolarHBondContact O-N 3.19Å; W208-L210 VanDerWaalsContact C-N 3.28Å; W208-L210 PolarHBondContact O-N 2.94Å; L210-V212 VanDerWaalsContact C-N 3.32Å; L210-V212 PolarHBondContact O-N 3.22Å; L210-R213 PolarHBondContact O-N 3.4Å; L210-W214 WeakPolarHBondContact O-CB 3.39Å; L210-W214 PolarHBondContact O-N 2.73Å
211	A	92	Very high	88	Confident	1 Å²	1	47 Å²	47	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-43.2	-179.1	0	0	0	0	0	111.7	I207 W208 W214 L215 L227 I231	I207-A211 WeakPolarHBondContact O-CB 3.48Å; I207-A211 PolarHBondContact O-N 3.1Å; W208-A211 PolarHBondContact O-N 3.39Å; A211-W214 PolarHBondContact O-N 2.66Å; A211-L215 VanDerWaalsContact O-CG 3.29Å; A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 3.31Å; A211-L227 HydrophobicContact CB-CD2 3.95Å; A211-L227 HydrophobicContact CB-CG 4.46Å; A211-I231 HydrophobicContact CB-CD1 3.72Å
212	V	90	Very high	88.1	Confident	8 Å²	8	53.6 Å²	53.6	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-50.9	174.9	169.2	0	0	0	0	111.2	W208 L210 W214 L215 E216 H248 L250	W208-V212 HydrophobicContact CD2-CG2 3.99Å; W208-V212 HydrophobicContact CE3-CG2 4.25Å; W208-V212 HydrophobicContact CH2-CG2 3.75Å; W208-V212 HydrophobicContact CZ2-CG2 3.46Å; W208-V212 VanDerWaalsContact CZ2-CG2 3.46Å; W208-V212 HydrophobicContact CZ3-CG2 4.16Å; W208-V212 WeakPolarHBondContact O-CG2 3.36Å; W208-V212 PolarHBondContact O-N 3.44Å; L210-V212 VanDerWaalsContact C-N 3.32Å; L210-V212 PolarHBondContact O-N 3.22Å; V212-W214 VanDerWaalsContact C-N 3.27Å; V212-W214 PolarHBondContact O-N 2.91Å; V212-L215 PolarHBondContact O-N 2.75Å; V212-L215 VanDerWaalsContact O-N 3.15Å; V212-E216 HydrophobicContact CG1-CG 4.35Å; V212-E216 WeakPolarHBondContact O-CG 3.36Å; V212-E216 PolarHBondContact O-N 3.47Å; V212-H248 WeakPolarHBondContact CG1-NE2 3.43Å; V212-L250 HydrophobicContact CG1-CD1 4.01Å; V212-L250 HydrophobicContact CG2-CD1 4.37Å
213	R	90.6	Very high	88	Confident	151 Å²	151	55.3 Å²	55.3	57%	0.57	26%	0.262	S	S	*	.	H	α-helix	trans	-61	-37.9	-179.6	-71.9	179.6	-167.7	-177.6	6.1	112.3	L183 Q209 L210 E216 H217	L183-R213 HydrophobicContact CD2-CB 3.87Å; Q209-R213 VanDerWaalsContact O-CG 3.31Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 3.35Å; Q209-R213 VanDerWaalsContact O-N 3.09Å; L210-R213 PolarHBondContact O-N 3.4Å; R213-E216 PolarHBondContact O-N 2.94Å; R213-H217 WeakPolarHBondContact O-CB 3.44Å; R213-H217 PolarHBondContact O-N 3.49Å
214	W	92.4	Very high	87.9	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-40.8	176.6	-176.5	93	0	0	0	112	L183 L185 Y187 L190 L210 A211 V212 H220 L227	L183-W214 HydrophobicContact CD2-CB 4.34Å; L183-W214 VanDerWaalsContact O-CD1 3.29Å; L183-W214 PolarHBondContact O-NE1 3.29Å; L185-W214 PolarHBondContact O-NE1 3.41Å; Y187-W214 HydrophobicContact CD2-CH2 4.02Å; Y187-W214 HydrophobicContact CD2-CZ3 4.48Å; L190-W214 HydrophobicContact CD2-CB 4.34Å; L190-W214 HydrophobicContact CD2-CD2 3.54Å; L190-W214 HydrophobicContact CD2-CE3 3.99Å; L190-W214 HydrophobicContact CD2-CG 3.67Å; L190-W214 HydrophobicContact CD2-CZ2 4.36Å; L210-W214 WeakPolarHBondContact O-CB 3.39Å; L210-W214 PolarHBondContact O-N 2.73Å; A211-W214 PolarHBondContact O-N 2.66Å; V212-W214 VanDerWaalsContact C-N 3.27Å; V212-W214 PolarHBondContact O-N 2.91Å; W214-H220 AromaticContact CE2-CD2 3.94Å; W214-H220 HydrophobicContact CE3-CB 4.26Å; W214-H220 HydrophobicContact CH2-CB 3.78Å; W214-H220 AromaticContact CH2-CD2 3.43Å; W214-H220 VanDerWaalsContact CH2-CD2 3.43Å; W214-H220 WeakPolarHBondContact CH2-CD2 3.18Å; W214-H220 AromaticContact CH2-CG 3.75Å; W214-H220 AromaticContact CZ2-CD2 3.52Å; W214-H220 HydrophobicContact CZ3-CB 3.53Å; W214-H220 AromaticContact CZ3-CD2 3.81Å; W214-H220 AromaticContact CZ3-CG 3.98Å; W214-L227 HydrophobicContact CE3-CD2 3.97Å; W214-L227 HydrophobicContact CZ3-CD2 4.27Å
215	L	89.7	Confident	87.6	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-42.2	175.3	-71.9	169.1	0	0	0	112	A211 V212 C219 H220 M224 L227	A211-L215 VanDerWaalsContact O-CG 3.29Å; A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 3.31Å; V212-L215 PolarHBondContact O-N 2.75Å; V212-L215 VanDerWaalsContact O-N 3.15Å; L215-C219 WeakPolarHBondContact O-CA 3.47Å; L215-C219 PolarHBondContact O-N 2.91Å; L215-C219 VanDerWaalsContact O-N 3.14Å; L215-H220 HydrophobicContact CD2-CB 4.29Å; L215-H220 WeakPolarHBondContact CD2-O 3.33Å; L215-H220 PolarHBondContact O-N 3.47Å; L215-H220 VanDerWaalsContact O-N 3.16Å; L215-M224 HydrophobicContact CD1-CB 4.36Å; L215-M224 HydrophobicContact CD1-CG 4.09Å; L215-M224 HydrophobicContact CD2-CB 4.31Å; L215-L227 HydrophobicContact CD1-CD2 4.28Å; L215-L227 HydrophobicContact CD2-CD2 4.21Å; L215-L227 HydrophobicContact CG-CD2 4.07Å
216	E	88.3	Confident	87.5	Confident	95 Å²	95	58.7 Å²	58.7	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-71.4	-36.2	-178.9	-71.4	177.5	167.4	0	0	112.9	V212 R213 N218	V212-E216 HydrophobicContact CG1-CG 4.35Å; V212-E216 WeakPolarHBondContact O-CG 3.36Å; V212-E216 PolarHBondContact O-N 3.47Å; R213-E216 PolarHBondContact O-N 2.94Å; E216-N218 PolarHBondContact O-N 3.27Å
217	H	85.9	Confident	87.5	Confident	89 Å²	89	54.6 Å²	54.6	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-40.5	-174.7	-177.9	-81.2	0	0	0	113.4	E180 L183 R213	E180-H217 IonicContact OE2-NE2 3.44Å; L183-H217 HydrophobicContact CB-CB 4.44Å; R213-H217 WeakPolarHBondContact O-CB 3.44Å; R213-H217 PolarHBondContact O-N 3.49Å
218	N	78.3	Confident	87.3	Confident	72 Å²	72	54.7 Å²	54.7	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-121.8	11.9	-175.1	-72	-41.5	0	0	0	113.3	E216 H220	E216-N218 PolarHBondContact O-N 3.27Å; N218-H220 VanDerWaalsContact C-N 3.28Å; N218-H220 WeakPolarHBondContact CB-CD2 3.43Å; N218-H220 WeakPolarHBondContact CB-NE2 3.31Å; N218-H220 PolarHBondContact O-N 2.88Å
219	C	77.9	Confident	87.2	Confident	86 Å²	86	58.8 Å²	58.8	58%	0.581	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	40	-176.9	-61.4	0	0	0	0	113.7	L215 Y221	L215-C219 WeakPolarHBondContact O-CA 3.47Å; L215-C219 PolarHBondContact O-N 2.91Å; L215-C219 VanDerWaalsContact O-N 3.14Å; C219-Y221 HydrophobicContact CB-CD2 4.08Å; C219-Y221 HydrophobicContact CB-CE2 3.83Å; C219-Y221 PolarHBondContact O-N 3.26Å
220	H	79.3	Confident	87.3	Confident	53 Å²	53	58.1 Å²	58.1	25%	0.245	27%	0.273	C	S	.	.			trans	-76.3	37.8	-176.8	-71.4	-46.1	0	0	0	113.8	W214 L215 N218 Q222 H223	W214-H220 AromaticContact CE2-CD2 3.94Å; W214-H220 HydrophobicContact CE3-CB 4.26Å; W214-H220 HydrophobicContact CH2-CB 3.78Å; W214-H220 AromaticContact CH2-CD2 3.43Å; W214-H220 VanDerWaalsContact CH2-CD2 3.43Å; W214-H220 WeakPolarHBondContact CH2-CD2 3.18Å; W214-H220 AromaticContact CH2-CG 3.75Å; W214-H220 AromaticContact CZ2-CD2 3.52Å; W214-H220 HydrophobicContact CZ3-CB 3.53Å; W214-H220 AromaticContact CZ3-CD2 3.81Å; W214-H220 AromaticContact CZ3-CG 3.98Å; L215-H220 HydrophobicContact CD2-CB 4.29Å; L215-H220 WeakPolarHBondContact CD2-O 3.33Å; L215-H220 PolarHBondContact O-N 3.47Å; L215-H220 VanDerWaalsContact O-N 3.16Å; N218-H220 VanDerWaalsContact C-N 3.28Å; N218-H220 WeakPolarHBondContact CB-CD2 3.43Å; N218-H220 WeakPolarHBondContact CB-NE2 3.31Å; N218-H220 PolarHBondContact O-N 2.88Å; H220-Q222 PolarHBondContact O-N 3.41Å; H220-H223 PolarHBondContact O-N 2.99Å
221	Y	82.6	Confident	87.3	Confident	107 Å²	107	57.7 Å²	57.7	42%	0.42	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61	-20.7	-173.7	-61.2	-67.3	0	0	0	113.9	C219 H223 M224 L250	C219-Y221 HydrophobicContact CB-CD2 4.08Å; C219-Y221 HydrophobicContact CB-CE2 3.83Å; C219-Y221 PolarHBondContact O-N 3.26Å; Y221-H223 PolarHBondContact O-N 2.68Å; Y221-M224 VanDerWaalsContact O-CB 3.25Å; Y221-M224 WeakPolarHBondContact O-CB 3.43Å; Y221-M224 PolarHBondContact O-N 3.49Å; Y221-L250 HydrophobicContact CD1-CD2 4.35Å; Y221-L250 HydrophobicContact CE1-CD2 3.65Å
222	Q	84.7	Confident	87.4	Confident	157 Å²	157	58.2 Å²	58.2	73%	0.734	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-60.1	-28	174.4	69.9	-174.6	-3	0	0	113.5	H220	H220-Q222 PolarHBondContact O-N 3.41Å
223	H	84.7	Confident	87.5	Confident	42 Å²	42	58 Å²	58	19%	0.194	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-100.4	3.8	-178.7	-63.3	-59.1	0	0	0	113.1	Y187 H220 Y221 E226 L227	Y187-H223 AromaticContact CD1-CE1 3.93Å; Y187-H223 AromaticContact CD1-ND1 3.84Å; Y187-H223 HydrophobicContact CD2-CB 3.68Å; Y187-H223 AromaticContact CD2-CG 3.65Å; Y187-H223 AromaticContact CE1-ND1 3.73Å; Y187-H223 HydrophobicContact CE2-CB 3.53Å; Y187-H223 AromaticContact CE2-CG 3.79Å; Y187-H223 AromaticContact CE2-ND1 3.98Å; Y187-H223 HydrophobicContact CG-CB 4.41Å; Y187-H223 AromaticContact CG-CG 3.88Å; Y187-H223 AromaticContact CG-ND1 3.97Å; Y187-H223 AromaticContact CZ-ND1 3.79Å; H220-H223 PolarHBondContact O-N 2.99Å; Y221-H223 PolarHBondContact O-N 2.68Å; H223-E226 PolarHBondContact O-N 3.32Å; H223-L227 VanDerWaalsContact O-CB 3.3Å; H223-L227 WeakPolarHBondContact O-CB 3.31Å; H223-L227 PolarHBondContact O-N 3.27Å
224	M	85.7	Confident	87.5	Confident	27 Å²	27	51.1 Å²	51.1	13%	0.133	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-56.7	-172.1	179.2	-179.2	64.5	0	0	111.9	L215 Y221 E226 L227 L228	L215-M224 HydrophobicContact CD1-CB 4.36Å; L215-M224 HydrophobicContact CD1-CG 4.09Å; L215-M224 HydrophobicContact CD2-CB 4.31Å; Y221-M224 VanDerWaalsContact O-CB 3.25Å; Y221-M224 WeakPolarHBondContact O-CB 3.43Å; Y221-M224 PolarHBondContact O-N 3.49Å; M224-E226 PolarHBondContact O-N 3.46Å; M224-L227 PolarHBondContact O-N 2.89Å; M224-L228 HydrophobicContact CG-CD1 3.89Å; M224-L228 HydrophobicContact CG-CG 4.26Å; M224-L228 WeakPolarHBondContact O-CB 3.4Å; M224-L228 VanDerWaalsContact O-CG 3.22Å; M224-L228 WeakPolarHBondContact O-CG 3.32Å; M224-L228 PolarHBondContact O-N 3.29Å
225	D	86.4	Confident	87.4	Confident	63 Å²	63	53.1 Å²	53.1	34%	0.337	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-32.4	-173.8	-66.3	-43	0	0	0	112.9	Q229 S254 T256	D225-Q229 VanDerWaalsContact O-CG 3.31Å; D225-Q229 WeakPolarHBondContact O-CG 3.45Å; D225-Q229 PolarHBondContact O-NE2 2.83Å; D225-S254 PolarHBondContact OD1-OG 3.31Å; D225-S254 VanDerWaalsContact OD1-OG 3.06Å; D225-T256 HydrophobicContact CB-CG2 4.33Å; D225-T256 VanDerWaalsContact OD1-CB 3.23Å; D225-T256 WeakPolarHBondContact OD1-CB 3.33Å; D225-T256 PolarHBondContact OD1-OG1 3.47Å
226	E	89.1	Confident	87.5	Confident	98 Å²	98	53.4 Å²	53.4	46%	0.458	26%	0.259	S	S	.	.	H	α-helix	trans	-74.3	-45.9	176.5	-64.7	-177.9	169.8	0	0	111.3	Y187 H223 M224 L228 Q229 Y230	Y187-E226 VanDerWaalsContact OH-CB 3.22Å; Y187-E226 WeakPolarHBondContact OH-CB 3.21Å; Y187-E226 PolarHBondContact OH-OE2 3.06Å; H223-E226 PolarHBondContact O-N 3.32Å; M224-E226 PolarHBondContact O-N 3.46Å; E226-L228 VanDerWaalsContact C-N 3.32Å; E226-L228 PolarHBondContact O-N 3.1Å; E226-Q229 WeakPolarHBondContact O-CB 3.29Å; E226-Q229 PolarHBondContact O-N 2.87Å; E226-Y230 WeakPolarHBondContact O-CD2 3.41Å; E226-Y230 VanDerWaalsContact O-CE2 3.22Å; E226-Y230 WeakPolarHBondContact O-CE2 3.38Å
227	L	90.4	Very high	87.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-42	-178.8	-168.5	71.5	0	0	0	111.3	Y187 L190 L194 A211 W214 L215 H223 M224 Q229 Y230	Y187-L227 HydrophobicContact CE2-CD1 4.35Å; L190-L227 HydrophobicContact CD2-CD1 3.97Å; L190-L227 HydrophobicContact CD2-CD2 4.31Å; L190-L227 HydrophobicContact CG-CD1 4.15Å; L194-L227 HydrophobicContact CD1-CD1 3.61Å; L194-L227 HydrophobicContact CD1-CG 4.15Å; A211-L227 HydrophobicContact CB-CD2 3.95Å; A211-L227 HydrophobicContact CB-CG 4.46Å; W214-L227 HydrophobicContact CE3-CD2 3.97Å; W214-L227 HydrophobicContact CZ3-CD2 4.27Å; L215-L227 HydrophobicContact CD1-CD2 4.28Å; L215-L227 HydrophobicContact CD2-CD2 4.21Å; L215-L227 HydrophobicContact CG-CD2 4.07Å; H223-L227 VanDerWaalsContact O-CB 3.3Å; H223-L227 WeakPolarHBondContact O-CB 3.31Å; H223-L227 PolarHBondContact O-N 3.27Å; M224-L227 PolarHBondContact O-N 2.89Å; L227-Q229 PolarHBondContact O-N 3.28Å; L227-Y230 PolarHBondContact O-N 2.77Å; L227-Y230 VanDerWaalsContact O-N 3.16Å
228	L	89.3	Confident	87.8	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-26	-178.6	-67.2	-171.9	0	0	0	113.3	W208 M224 E226 Y230 I231 A257 L260	W208-L228 HydrophobicContact CE3-CD2 4.05Å; W208-L228 HydrophobicContact CH2-CD2 4.4Å; W208-L228 HydrophobicContact CZ3-CD1 4.48Å; W208-L228 HydrophobicContact CZ3-CD2 3.44Å; W208-L228 VanDerWaalsContact CZ3-CD2 3.44Å; M224-L228 HydrophobicContact CG-CD1 3.89Å; M224-L228 HydrophobicContact CG-CG 4.26Å; M224-L228 WeakPolarHBondContact O-CB 3.4Å; M224-L228 VanDerWaalsContact O-CG 3.22Å; M224-L228 WeakPolarHBondContact O-CG 3.32Å; M224-L228 PolarHBondContact O-N 3.29Å; E226-L228 VanDerWaalsContact C-N 3.32Å; E226-L228 PolarHBondContact O-N 3.1Å; L228-Y230 PolarHBondContact O-N 2.75Å; L228-I231 HydrophobicContact CD2-CD1 3.65Å; L228-I231 PolarHBondContact O-N 2.97Å; L228-A257 HydrophobicContact CD1-CB 3.6Å; L228-L260 HydrophobicContact CB-CD1 3.98Å
229	Q	90.7	Very high	88.4	Confident	95 Å²	95	53.6 Å²	53.6	44%	0.444	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.9	177	-71.8	170.6	48.8	0	0	113.3	D225 E226 L227 I231	D225-Q229 VanDerWaalsContact O-CG 3.31Å; D225-Q229 WeakPolarHBondContact O-CG 3.45Å; D225-Q229 PolarHBondContact O-NE2 2.83Å; E226-Q229 WeakPolarHBondContact O-CB 3.29Å; E226-Q229 PolarHBondContact O-N 2.87Å; L227-Q229 PolarHBondContact O-N 3.28Å; Q229-I231 VanDerWaalsContact C-N 3.33Å
230	Y	92.5	Very high	89	Confident	62 Å²	62	50.9 Å²	50.9	24%	0.243	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.7	177.9	-59	-63.7	0	0	0	113.5	Q191 K195 E226 L227 L228 R285	Q191-Y230 HydrophobicContact CG-CD2 4.34Å; Q191-Y230 HydrophobicContact CG-CE2 3.6Å; Q191-Y230 PolarHBondContact NE2-OH 2.77Å; K195-Y230 HydrophobicContact CB-CD1 4.22Å; K195-Y230 HydrophobicContact CB-CE1 4.4Å; K195-Y230 HydrophobicContact CG-CE1 4.44Å; E226-Y230 WeakPolarHBondContact O-CD2 3.41Å; E226-Y230 VanDerWaalsContact O-CE2 3.22Å; E226-Y230 WeakPolarHBondContact O-CE2 3.38Å; L227-Y230 PolarHBondContact O-N 2.77Å; L227-Y230 VanDerWaalsContact O-N 3.16Å; L228-Y230 PolarHBondContact O-N 2.75Å; Y230-R285 PolarHBondContact O-NH2 2.93Å; Y230-R285 VanDerWaalsContact O-NH2 3.13Å
231	I	92.7	Very high	89.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-85.7	131.6	177.7	-55.6	173.5	0	0	0	108.9	I207 W208 A211 L228 Q229 F233	I207-I231 HydrophobicContact CG2-CG1 4.4Å; W208-I231 HydrophobicContact CB-CG2 4.17Å; W208-I231 HydrophobicContact CE3-CD1 3.72Å; W208-I231 HydrophobicContact CZ3-CD1 4.41Å; A211-I231 HydrophobicContact CB-CD1 3.72Å; L228-I231 HydrophobicContact CD2-CD1 3.65Å; L228-I231 PolarHBondContact O-N 2.97Å; Q229-I231 VanDerWaalsContact C-N 3.33Å; I231-F233 HydrophobicContact CB-CD2 4.41Å; I231-F233 HydrophobicContact CB-CE2 3.98Å; I231-F233 HydrophobicContact CB-CZ 4.24Å; I231-F233 HydrophobicContact CG2-CD1 4.41Å; I231-F233 HydrophobicContact CG2-CD2 4.31Å; I231-F233 HydrophobicContact CG2-CE1 4.18Å; I231-F233 HydrophobicContact CG2-CE2 4.07Å; I231-F233 HydrophobicContact CG2-CG 4.48Å; I231-F233 HydrophobicContact CG2-CZ 4.01Å; I231-F233 PolarHBondContact O-N 2.88Å
232	R	93.2	Very high	90	Very high	11 Å²	11	47.4 Å²	47.4	4%	0.042	24%	0.236	C	C	.	.			trans	-96.4	70.1	-173.6	-52.4	-175.3	-169.5	-170.4	-0.6	110.1	D197 E204 G234 L235 R281 K283 P284 R285	D197-R232 IonicContact OD1-CZ 3.86Å; D197-R232 VanDerWaalsContact OD1-CZ 3.3Å; D197-R232 IonicContact OD1-NH1 2.72Å; D197-R232 PolarHBondContact OD1-NH1 3.41Å; D197-R232 VanDerWaalsContact OD1-NH1 3.1Å; D197-R232 IonicContact OD1-NH2 3.25Å; D197-R232 PolarHBondContact OD1-NH2 3.15Å; E204-R232 VanDerWaalsContact CD-CB 3.46Å; E204-R232 HydrophobicContact CG-CB 3.99Å; E204-R232 WeakPolarHBondContact OE1-CD 3.49Å; E204-R232 IonicContact OE1-NE 2.7Å; E204-R232 WeakPolarHBondContact OE2-CB 3.49Å; E204-R232 PolarHBondContact OE2-N 3.35Å; R232-G234 PolarHBondContact O-N 3.19Å; R232-G234 VanDerWaalsContact O-N 3.1Å; R232-L235 HydrophobicContact CB-CB 4.46Å; R232-L235 HydrophobicContact CB-CD1 3.77Å; R232-L235 HydrophobicContact CB-CG 4.09Å; R232-L235 HydrophobicContact CG-CD1 4.43Å; R232-L235 WeakPolarHBondContact O-CB 3.34Å; R232-L235 PolarHBondContact O-N 3.43Å; R232-R281 WeakPolarHBondContact CA-O 3.3Å; R232-R281 WeakPolarHBondContact CB-O 3.4Å; R232-K283 VanDerWaalsContact CD-O 3.31Å; R232-K283 WeakPolarHBondContact CD-O 3.48Å; R232-K283 PolarHBondContact NH1-O 2.98Å; R232-P284 PolarHBondContact NH1-O 3.29Å; R232-R285 VanDerWaalsContact CZ-CG 3.48Å
233	F	92.5	Very high	90.3	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.018	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-52.2	-34.6	-178.7	-68	-78.1	0	0	0	113.3	W208 I231 L235 M236 L241 L260 V261 A264	W208-F233 HydrophobicContact CD2-CE1 4.09Å; W208-F233 HydrophobicContact CD2-CZ 4.43Å; W208-F233 AromaticContact CE3-CE1 3.57Å; W208-F233 HydrophobicContact CE3-CE1 3.57Å; W208-F233 AromaticContact CE3-CZ 3.48Å; W208-F233 HydrophobicContact CE3-CZ 3.48Å; W208-F233 VanDerWaalsContact CE3-CZ 3.48Å; W208-F233 AromaticContact CZ3-CE1 3.93Å; W208-F233 HydrophobicContact CZ3-CE1 3.93Å; W208-F233 AromaticContact CZ3-CZ 3.59Å; W208-F233 HydrophobicContact CZ3-CZ 3.59Å; I231-F233 HydrophobicContact CB-CD2 4.41Å; I231-F233 HydrophobicContact CB-CE2 3.98Å; I231-F233 HydrophobicContact CB-CZ 4.24Å; I231-F233 HydrophobicContact CG2-CD1 4.41Å; I231-F233 HydrophobicContact CG2-CD2 4.31Å; I231-F233 HydrophobicContact CG2-CE1 4.18Å; I231-F233 HydrophobicContact CG2-CE2 4.07Å; I231-F233 HydrophobicContact CG2-CG 4.48Å; I231-F233 HydrophobicContact CG2-CZ 4.01Å; I231-F233 PolarHBondContact O-N 2.88Å; F233-L235 PolarHBondContact O-N 2.86Å; F233-M236 HydrophobicContact CD1-SD 3.7Å; F233-M236 HydrophobicContact CE1-SD 4.33Å; F233-M236 WeakPolarHBondContact O-CB 3.41Å; F233-M236 PolarHBondContact O-N 3.16Å; F233-L241 HydrophobicContact CB-CD2 3.96Å; F233-L241 HydrophobicContact CD1-CD2 4.07Å; F233-L260 HydrophobicContact CD2-CB 3.88Å; F233-L260 HydrophobicContact CE2-CB 3.96Å; F233-L260 HydrophobicContact CE2-CD1 4.03Å; F233-V261 HydrophobicContact CD1-CG2 4.08Å; F233-V261 HydrophobicContact CE1-CG2 4.1Å; F233-V261 HydrophobicContact CG-CG2 4.49Å; F233-A264 HydrophobicContact CB-CB 3.68Å
234	G	90.6	Very high	90.5	Very high	7 Å²	7	42.3 Å²	42.3	7%	0.072	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.9	1.2	177.3	0	0	0	0	0	115.7	R232 H268	R232-G234 PolarHBondContact O-N 3.19Å; R232-G234 VanDerWaalsContact O-N 3.1Å; G234-H268 PolarHBondContact O-NE2 3.05Å
235	L	90.4	Very high	90.6	Very high	44 Å²	44	42.4 Å²	42.4	23%	0.23	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-111.4	0.1	172.4	-59.7	179.2	0	0	0	112.8	E204 R232 F233 T282 P284 R374	E204-L235 HydrophobicContact CG-CB 3.99Å; E204-L235 HydrophobicContact CG-CD1 4.24Å; R232-L235 HydrophobicContact CB-CB 4.46Å; R232-L235 HydrophobicContact CB-CD1 3.77Å; R232-L235 HydrophobicContact CB-CG 4.09Å; R232-L235 HydrophobicContact CG-CD1 4.43Å; R232-L235 WeakPolarHBondContact O-CB 3.34Å; R232-L235 PolarHBondContact O-N 3.43Å; F233-L235 PolarHBondContact O-N 2.86Å; L235-T282 WeakPolarHBondContact CD2-O 3.26Å; L235-P284 HydrophobicContact CD2-CG 4.49Å; L235-R374 HydrophobicContact CD2-CG 3.97Å
236	M	91.6	Very high	90.5	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.039	24%	0.241	C	C	.	.	S	Bend	trans	-81.6	158.5	173	-62.5	177.4	66.2	0	0	109.9	E204 E205 W208 F233 T240 L241 V244 H268	E204-M236 HydrophobicContact CB-CG 3.81Å; E205-M236 HydrophobicContact CB-CE 3.97Å; E205-M236 HydrophobicContact CG-CE 4.15Å; W208-M236 HydrophobicContact CB-CE 4.49Å; F233-M236 HydrophobicContact CD1-SD 3.7Å; F233-M236 HydrophobicContact CE1-SD 4.33Å; F233-M236 WeakPolarHBondContact O-CB 3.41Å; F233-M236 PolarHBondContact O-N 3.16Å; M236-T240 HydrophobicContact CE-CG2 3.51Å; M236-L241 HydrophobicContact CB-CD2 4Å; M236-L241 HydrophobicContact CB-CG 3.99Å; M236-L241 HydrophobicContact SD-CD2 4.22Å; M236-V244 HydrophobicContact CE-CG2 4.33Å; M236-H268 PolarHBondContact O-NE2 3.49Å
237	D	89.6	Confident	90.1	Very high	93 Å²	93	44.7 Å²	44.7	50%	0.497	24%	0.244	S	C	.	.			trans	-68.2	148.1	172.7	-173.1	73.5	0	0	0	111.2	D239 T240 L241	D237-D239 VanDerWaalsContact C-N 3.28Å; D237-D239 PolarHBondContact O-N 2.88Å; D237-D239 WeakPolarHBondContact OD2-CB 3.48Å; D237-D239 PolarHBondContact OD2-N 3.21Å; D237-T240 WeakPolarHBondContact O-CB 3.41Å; D237-T240 PolarHBondContact O-N 2.9Å; D237-L241 WeakPolarHBondContact O-CG 3.4Å; D237-L241 PolarHBondContact O-N 3.06Å
238	V	91.6	Very high	89.7	Confident	49 Å²	49	46.3 Å²	46.3	30%	0.297	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-36.3	-176.4	180	0	0	0	0	111.4	L241 H242 L265 H268	V238-L241 PolarHBondContact O-N 2.59Å; V238-H242 PolarHBondContact O-CD2 2.97Å; V238-H242 PolarHBondContact O-N 3.18Å; V238-L265 HydrophobicContact CG1-CD2 4.44Å; V238-H268 HydrophobicContact CG2-CB 3.78Å
239	D	91.3	Very high	89.4	Confident	118 Å²	118	50.5 Å²	50.5	63%	0.631	28%	0.279	S	S	*	.	H	α-helix	trans	-68.2	-39.1	178.1	-66.9	-25.7	0	0	0	110.9	D237 H242 T243	D237-D239 VanDerWaalsContact C-N 3.28Å; D237-D239 PolarHBondContact O-N 2.88Å; D237-D239 WeakPolarHBondContact OD2-CB 3.48Å; D237-D239 PolarHBondContact OD2-N 3.21Å; D239-H242 PolarHBondContact O-N 2.89Å; D239-T243 WeakPolarHBondContact O-CB 3.25Å; D239-T243 PolarHBondContact O-N 3.36Å; D239-T243 PolarHBondContact O-OG1 3.23Å
240	T	90.8	Very high	89	Confident	28 Å²	28	47 Å²	47	17%	0.172	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-43.2	173.5	-52.3	0	0	0	0	110.8	E205 M236 D237 H242 T243 V244	E205-T240 HydrophobicContact CG-CG2 3.86Å; M236-T240 HydrophobicContact CE-CG2 3.51Å; D237-T240 WeakPolarHBondContact O-CB 3.41Å; D237-T240 PolarHBondContact O-N 2.9Å; T240-H242 PolarHBondContact O-N 3.45Å; T240-T243 WeakPolarHBondContact O-CB 3.23Å; T240-T243 PolarHBondContact O-N 2.91Å; T240-V244 HydrophobicContact CG2-CG2 4.4Å; T240-V244 WeakPolarHBondContact O-CG2 3.41Å; T240-V244 PolarHBondContact O-N 2.92Å
241	L	91.8	Very high	88.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-43.7	177.1	-72.7	172.4	0	0	0	112.3	F233 M236 D237 V238 T243 V244 A245 V261 A264 L265	F233-L241 HydrophobicContact CB-CD2 3.96Å; F233-L241 HydrophobicContact CD1-CD2 4.07Å; M236-L241 HydrophobicContact CB-CD2 4Å; M236-L241 HydrophobicContact CB-CG 3.99Å; M236-L241 HydrophobicContact SD-CD2 4.22Å; D237-L241 WeakPolarHBondContact O-CG 3.4Å; D237-L241 PolarHBondContact O-N 3.06Å; V238-L241 PolarHBondContact O-N 2.59Å; L241-T243 VanDerWaalsContact C-N 3.3Å; L241-T243 PolarHBondContact O-N 2.69Å; L241-V244 PolarHBondContact O-N 2.89Å; L241-A245 WeakPolarHBondContact O-CB 3.27Å; L241-A245 PolarHBondContact O-N 3.43Å; L241-V261 HydrophobicContact CD2-CG1 4.46Å; L241-A264 HydrophobicContact CD1-CB 3.91Å; L241-A264 HydrophobicContact CD2-CB 4.23Å; L241-L265 HydrophobicContact CB-CD2 3.96Å; L241-L265 HydrophobicContact CD1-CD2 4.39Å
242	H	91.1	Very high	88.2	Confident	87 Å²	87	50 Å²	50	40%	0.403	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-40.9	174.1	-79.3	-55.9	0	0	0	111.9	V238 D239 T240 A245 L246	V238-H242 PolarHBondContact O-CD2 2.97Å; V238-H242 PolarHBondContact O-N 3.18Å; D239-H242 PolarHBondContact O-N 2.89Å; T240-H242 PolarHBondContact O-N 3.45Å; H242-A245 PolarHBondContact O-N 3.45Å; H242-L246 WeakPolarHBondContact O-CB 3.38Å; H242-L246 VanDerWaalsContact O-CG 3.32Å; H242-L246 WeakPolarHBondContact O-CG 3.4Å; H242-L246 PolarHBondContact O-N 3.1Å; H242-L246 VanDerWaalsContact O-N 3.09Å
243	T	90.5	Very high	87.7	Confident	83 Å²	83	53.7 Å²	53.7	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-48.4	176.2	-57.1	0	0	0	0	110.9	D239 T240 L241 A245 L246 S247	D239-T243 WeakPolarHBondContact O-CB 3.25Å; D239-T243 PolarHBondContact O-N 3.36Å; D239-T243 PolarHBondContact O-OG1 3.23Å; T240-T243 WeakPolarHBondContact O-CB 3.23Å; T240-T243 PolarHBondContact O-N 2.91Å; L241-T243 VanDerWaalsContact C-N 3.3Å; L241-T243 PolarHBondContact O-N 2.69Å; T243-A245 PolarHBondContact O-N 3.41Å; T243-L246 PolarHBondContact O-N 3.1Å; T243-S247 VanDerWaalsContact O-CB 3.28Å; T243-S247 WeakPolarHBondContact O-CB 3.18Å; T243-S247 PolarHBondContact O-N 3.39Å; T243-S247 PolarHBondContact O-OG 3.47Å
244	V	88.6	Confident	87.4	Confident	10 Å²	10	53.9 Å²	53.9	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-42.8	178.7	171.1	0	0	0	0	111.6	W208 M236 T240 L241 L246 H248 V251 V261	W208-V244 HydrophobicContact CH2-CG1 4.41Å; W208-V244 HydrophobicContact CZ2-CG1 3.81Å; M236-V244 HydrophobicContact CE-CG2 4.33Å; T240-V244 HydrophobicContact CG2-CG2 4.4Å; T240-V244 WeakPolarHBondContact O-CG2 3.41Å; T240-V244 PolarHBondContact O-N 2.92Å; L241-V244 PolarHBondContact O-N 2.89Å; V244-L246 PolarHBondContact O-N 3.21Å; V244-H248 WeakPolarHBondContact O-CB 3.26Å; V244-H248 PolarHBondContact O-N 2.99Å; V244-V251 HydrophobicContact CG1-CG2 3.87Å; V244-V261 HydrophobicContact CG1-CG2 4.42Å
245	A	87.9	Confident	87.3	Confident	29 Å²	29	62 Å²	62	24%	0.24	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-40.7	177.7	0	0	0	0	0	113.1	L241 H242 T243 V261	L241-A245 WeakPolarHBondContact O-CB 3.27Å; L241-A245 PolarHBondContact O-N 3.43Å; H242-A245 PolarHBondContact O-N 3.45Å; T243-A245 PolarHBondContact O-N 3.41Å; A245-V261 HydrophobicContact CB-CG1 3.87Å
246	L	84.7	Confident	87.3	Confident	132 Å²	132	62.3 Å²	62.3	69%	0.691	35%	0.354	S	S	*	.	H	α-helix	trans	-91.1	-29.8	-172.1	-68.2	173.7	0	0	0	114	H242 T243 V244 Q252	H242-L246 WeakPolarHBondContact O-CB 3.38Å; H242-L246 VanDerWaalsContact O-CG 3.32Å; H242-L246 WeakPolarHBondContact O-CG 3.4Å; H242-L246 PolarHBondContact O-N 3.1Å; H242-L246 VanDerWaalsContact O-N 3.09Å; T243-L246 PolarHBondContact O-N 3.1Å; V244-L246 PolarHBondContact O-N 3.21Å; L246-Q252 PolarHBondContact O-NE2 3.21Å
247	S	79.9	Confident	87.1	Confident	76 Å²	76	62 Å²	62	53%	0.531	35%	0.352	S	S	.	.	H	α-helix	trans	-106.3	-23.4	-167.3	67.7	0	0	0	0	114.7	T243 P249	T243-S247 VanDerWaalsContact O-CB 3.28Å; T243-S247 WeakPolarHBondContact O-CB 3.18Å; T243-S247 PolarHBondContact O-N 3.39Å; T243-S247 PolarHBondContact O-OG 3.47Å; S247-P249 WeakPolarHBondContact O-CD 3.41Å
248	H	82.3	Confident	87.2	Confident	34 Å²	34	60 Å²	60	16%	0.157	34%	0.344	C	S	.	.			trans	-92.7	118	-167.4	-154.6	-72.8	0	0	0	112.7	W208 V212 V244 L250 V251 Q252	W208-H248 HydrophobicContact CZ2-CB 4.48Å; W208-H248 AromaticContact CZ2-CG 3.95Å; V212-H248 WeakPolarHBondContact CG1-NE2 3.43Å; V244-H248 WeakPolarHBondContact O-CB 3.26Å; V244-H248 PolarHBondContact O-N 2.99Å; H248-L250 VanDerWaalsContact C-N 3.3Å; H248-L250 PolarHBondContact ND1-N 3.12Å; H248-L250 PolarHBondContact O-N 3.02Å; H248-V251 HydrophobicContact CB-CB 4.41Å; H248-V251 HydrophobicContact CB-CG2 4.03Å; H248-V251 PolarHBondContact O-N 2.87Å; H248-V251 VanDerWaalsContact O-N 3.1Å; H248-Q252 PolarHBondContact O-N 3.38Å
249	P	83.7	Confident	87.3	Confident	90 Å²	90	60.4 Å²	60.4	58%	0.584	35%	0.352	S	S	*	.	H	α-helix	trans	-58.3	-37.9	-176.6	-25.9	34.9	0	0	0	113.8	S247 V251 Q252 A253	S247-P249 WeakPolarHBondContact O-CD 3.41Å; P249-V251 VanDerWaalsContact C-N 3.31Å; P249-V251 PolarHBondContact O-N 3.43Å; P249-Q252 PolarHBondContact O-N 3.29Å; P249-A253 WeakPolarHBondContact O-CB 3.43Å; P249-A253 PolarHBondContact O-N 3.4Å
250	L	82.3	Confident	87.4	Confident	22 Å²	22	55.2 Å²	55.2	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-36.3	178.5	-60.4	179.8	0	0	0	113.3	V212 Y221 H248 S254	V212-L250 HydrophobicContact CG1-CD1 4.01Å; V212-L250 HydrophobicContact CG2-CD1 4.37Å; Y221-L250 HydrophobicContact CD1-CD2 4.35Å; Y221-L250 HydrophobicContact CE1-CD2 3.65Å; H248-L250 VanDerWaalsContact C-N 3.3Å; H248-L250 PolarHBondContact ND1-N 3.12Å; H248-L250 PolarHBondContact O-N 3.02Å; L250-S254 PolarHBondContact O-N 3.23Å
251	V	84.3	Confident	87.5	Confident	2 Å²	2	54 Å²	54	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-72.4	-41.8	179	180	0	0	0	0	109.7	W208 V244 H248 P249 A253 S254 A257 T258 V261	W208-V251 HydrophobicContact CH2-CG2 3.44Å; W208-V251 VanDerWaalsContact CH2-CG2 3.44Å; W208-V251 HydrophobicContact CZ2-CG2 3.78Å; W208-V251 HydrophobicContact CZ3-CG2 4.45Å; V244-V251 HydrophobicContact CG1-CG2 3.87Å; H248-V251 HydrophobicContact CB-CB 4.41Å; H248-V251 HydrophobicContact CB-CG2 4.03Å; H248-V251 PolarHBondContact O-N 2.87Å; H248-V251 VanDerWaalsContact O-N 3.1Å; P249-V251 VanDerWaalsContact C-N 3.31Å; P249-V251 PolarHBondContact O-N 3.43Å; V251-A253 VanDerWaalsContact C-N 3.26Å; V251-A253 PolarHBondContact O-N 3.1Å; V251-S254 PolarHBondContact O-N 3.36Å; V251-A257 HydrophobicContact CB-CB 4.42Å; V251-A257 HydrophobicContact CG1-CB 4.24Å; V251-A257 HydrophobicContact CG2-CB 4.42Å; V251-T258 PolarHBondContact O-OG1 3.42Å; V251-V261 HydrophobicContact CG1-CG2 4.28Å
252	Q	83.8	Confident	87.5	Confident	124 Å²	124	58.2 Å²	58.2	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-65.2	-29	177.3	-66.3	-179.5	-13.3	0	0	113.1	L246 H248 P249	L246-Q252 PolarHBondContact O-NE2 3.21Å; H248-Q252 PolarHBondContact O-N 3.38Å; P249-Q252 PolarHBondContact O-N 3.29Å
253	A	83.4	Confident	87.7	Confident	87 Å²	87	57.2 Å²	57.2	72%	0.719	34%	0.335	S	S	*	.	H	α-helix	trans	-83.2	-25.5	179.4	0	0	0	0	0	113.8	P249 V251	P249-A253 WeakPolarHBondContact O-CB 3.43Å; P249-A253 PolarHBondContact O-N 3.4Å; V251-A253 VanDerWaalsContact C-N 3.26Å; V251-A253 PolarHBondContact O-N 3.1Å
254	S	86.1	Confident	87.9	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.063	31%	0.313	C	S	.	.			trans	-106	122.1	-177.9	172.1	0	0	0	0	112.1	D225 L250 V251 T256 A257 T258	D225-S254 PolarHBondContact OD1-OG 3.31Å; D225-S254 VanDerWaalsContact OD1-OG 3.06Å; L250-S254 PolarHBondContact O-N 3.23Å; V251-S254 PolarHBondContact O-N 3.36Å; S254-T256 VanDerWaalsContact C-N 3.27Å; S254-T256 PolarHBondContact O-N 2.76Å; S254-T256 PolarHBondContact OG-N 3.48Å; S254-A257 PolarHBondContact O-N 2.95Å; S254-A257 PolarHBondContact OG-N 2.74Å; S254-A257 VanDerWaalsContact OG-N 3.16Å; S254-T258 PolarHBondContact O-N 3.24Å; S254-T258 VanDerWaalsContact O-N 3.1Å; S254-T258 PolarHBondContact O-OG1 3.41Å; S254-T258 VanDerWaalsContact O-OG1 3.12Å
255	E	88.7	Confident	88.1	Confident	178 Å²	178	54 Å²	54	83%	0.832	32%	0.315	S	S	*	.	H	α-helix	trans	-61.4	-38.4	172.2	-65.3	-174.4	173	0	0	111.4	T258 A259	E255-T258 PolarHBondContact O-N 3.2Å; E255-A259 WeakPolarHBondContact O-CB 3.33Å; E255-A259 PolarHBondContact O-N 3.32Å
256	T	89.5	Confident	88.5	Confident	50 Å²	50	57.9 Å²	57.9	31%	0.307	33%	0.328	S	S	.	.	H	α-helix	trans	-62.8	-48.7	178.7	-34.9	0	0	0	0	111.1	D225 S254 T258 A259 L260	D225-T256 HydrophobicContact CB-CG2 4.33Å; D225-T256 VanDerWaalsContact OD1-CB 3.23Å; D225-T256 WeakPolarHBondContact OD1-CB 3.33Å; D225-T256 PolarHBondContact OD1-OG1 3.47Å; S254-T256 VanDerWaalsContact C-N 3.27Å; S254-T256 PolarHBondContact O-N 2.76Å; S254-T256 PolarHBondContact OG-N 3.48Å; T256-T258 VanDerWaalsContact C-N 3.33Å; T256-T258 PolarHBondContact O-N 3.31Å; T256-A259 PolarHBondContact O-N 2.93Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 3.13Å
257	A	87.9	Confident	88.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-43.3	178.9	0	0	0	0	0	111.4	L228 V251 S254 A259 L260 V261	L228-A257 HydrophobicContact CD1-CB 3.6Å; V251-A257 HydrophobicContact CB-CB 4.42Å; V251-A257 HydrophobicContact CG1-CB 4.24Å; V251-A257 HydrophobicContact CG2-CB 4.42Å; S254-A257 PolarHBondContact O-N 2.95Å; S254-A257 PolarHBondContact OG-N 2.74Å; S254-A257 VanDerWaalsContact OG-N 3.16Å; A257-A259 VanDerWaalsContact C-N 3.34Å; A257-A259 PolarHBondContact O-N 2.98Å; A257-L260 PolarHBondContact O-N 3.38Å; A257-V261 WeakPolarHBondContact O-CG2 3.22Å; A257-V261 PolarHBondContact O-N 3.11Å; A257-V261 VanDerWaalsContact O-N 3.1Å
258	T	91.5	Very high	89.5	Confident	52 Å²	52	50.6 Å²	50.6	32%	0.319	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176	-64.2	0	0	0	0	111.6	V251 S254 E255 T256 V261 N262	V251-T258 PolarHBondContact O-OG1 3.42Å; S254-T258 PolarHBondContact O-N 3.24Å; S254-T258 VanDerWaalsContact O-N 3.1Å; S254-T258 PolarHBondContact O-OG1 3.41Å; S254-T258 VanDerWaalsContact O-OG1 3.12Å; E255-T258 PolarHBondContact O-N 3.2Å; T256-T258 VanDerWaalsContact C-N 3.33Å; T256-T258 PolarHBondContact O-N 3.31Å; T258-V261 PolarHBondContact O-N 3.25Å; T258-N262 WeakPolarHBondContact O-CB 3.49Å; T258-N262 VanDerWaalsContact O-CG 3.27Å; T258-N262 PolarHBondContact O-N 3.24Å; T258-N262 PolarHBondContact O-ND2 3Å
259	A	92.8	Very high	90.1	Very high	57 Å²	57	56.4 Å²	56.4	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-42	176.5	0	0	0	0	0	112.3	E255 T256 A257 N262 E263	E255-A259 WeakPolarHBondContact O-CB 3.33Å; E255-A259 PolarHBondContact O-N 3.32Å; T256-A259 PolarHBondContact O-N 2.93Å; A257-A259 VanDerWaalsContact C-N 3.34Å; A257-A259 PolarHBondContact O-N 2.98Å; A259-N262 PolarHBondContact O-N 3.09Å; A259-E263 WeakPolarHBondContact O-CB 3.14Å; A259-E263 PolarHBondContact O-N 3.26Å
260	L	93.1	Very high	90.5	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-42	177.9	-67.9	173	0	0	0	112.5	L228 F233 T256 A257 A264	L228-L260 HydrophobicContact CB-CD1 3.98Å; F233-L260 HydrophobicContact CD2-CB 3.88Å; F233-L260 HydrophobicContact CE2-CB 3.96Å; F233-L260 HydrophobicContact CE2-CD1 4.03Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 3.13Å; A257-L260 PolarHBondContact O-N 3.38Å; L260-A264 PolarHBondContact O-N 2.84Å; L260-A264 VanDerWaalsContact O-N 3.13Å
261	V	93.2	Very high	91	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-40.6	178.3	177.3	0	0	0	0	111	F233 L241 V244 A245 V251 A257 T258 A264 L265	F233-V261 HydrophobicContact CD1-CG2 4.08Å; F233-V261 HydrophobicContact CE1-CG2 4.1Å; F233-V261 HydrophobicContact CG-CG2 4.49Å; L241-V261 HydrophobicContact CD2-CG1 4.46Å; V244-V261 HydrophobicContact CG1-CG2 4.42Å; A245-V261 HydrophobicContact CB-CG1 3.87Å; V251-V261 HydrophobicContact CG1-CG2 4.28Å; A257-V261 WeakPolarHBondContact O-CG2 3.22Å; A257-V261 PolarHBondContact O-N 3.11Å; A257-V261 VanDerWaalsContact O-N 3.1Å; T258-V261 PolarHBondContact O-N 3.25Å; V261-A264 WeakPolarHBondContact O-CB 3.34Å; V261-A264 PolarHBondContact O-N 3.2Å; V261-L265 HydrophobicContact CG1-CD1 4.35Å; V261-L265 WeakPolarHBondContact O-CG 3.47Å; V261-L265 PolarHBondContact O-N 3.1Å
262	N	92.7	Very high	91.5	Very high	89 Å²	89	61 Å²	61	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-40.1	175.9	-73.6	-27.6	0	0	0	112.4	T258 A259 A264 L265 E266	T258-N262 WeakPolarHBondContact O-CB 3.49Å; T258-N262 VanDerWaalsContact O-CG 3.27Å; T258-N262 PolarHBondContact O-N 3.24Å; T258-N262 PolarHBondContact O-ND2 3Å; A259-N262 PolarHBondContact O-N 3.09Å; N262-A264 VanDerWaalsContact C-N 3.31Å; N262-A264 PolarHBondContact O-N 2.88Å; N262-L265 PolarHBondContact O-N 2.96Å; N262-E266 PolarHBondContact O-N 3.07Å
263	E	94.6	Very high	92.1	Very high	65 Å²	65	55.5 Å²	55.5	30%	0.304	30%	0.3	S	S	.	.	H	α-helix	trans	-58.1	-44.2	172.6	179.8	-173.7	160.8	0	0	111.2	A259 E266 Y267 R281	A259-E263 WeakPolarHBondContact O-CB 3.14Å; A259-E263 PolarHBondContact O-N 3.26Å; E263-E266 PolarHBondContact O-N 3.1Å; E263-Y267 WeakPolarHBondContact O-CB 3.27Å; E263-Y267 PolarHBondContact O-N 2.94Å; E263-R281 IonicContact OE1-CZ 3.51Å; E263-R281 IonicContact OE1-NE 3.1Å; E263-R281 PolarHBondContact OE1-NE 3.3Å; E263-R281 IonicContact OE1-NH2 3.24Å; E263-R281 PolarHBondContact OE1-NH2 2.99Å; E263-R281 IonicContact OE2-CZ 2.67Å; E263-R281 IonicContact OE2-NE 3.79Å; E263-R281 IonicContact OE2-NH1 2.66Å; E263-R281 PolarHBondContact OE2-NH1 2.96Å; E263-R281 IonicContact OE2-NH2 3.02Å; E263-R281 PolarHBondContact OE2-NH2 3.17Å
264	A	94.4	Very high	92.7	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-43.5	176.2	0	0	0	0	0	112	F233 L241 L260 V261 N262 E266 Y267 H268	F233-A264 HydrophobicContact CB-CB 3.68Å; L241-A264 HydrophobicContact CD1-CB 3.91Å; L241-A264 HydrophobicContact CD2-CB 4.23Å; L260-A264 PolarHBondContact O-N 2.84Å; L260-A264 VanDerWaalsContact O-N 3.13Å; V261-A264 WeakPolarHBondContact O-CB 3.34Å; V261-A264 PolarHBondContact O-N 3.2Å; N262-A264 VanDerWaalsContact C-N 3.31Å; N262-A264 PolarHBondContact O-N 2.88Å; A264-E266 PolarHBondContact O-N 3.12Å; A264-Y267 WeakPolarHBondContact O-CB 3.32Å; A264-Y267 PolarHBondContact O-N 3.34Å; A264-H268 PolarHBondContact O-CD2 2.97Å; A264-H268 PolarHBondContact O-N 2.91Å
265	L	94.4	Very high	93.1	Very high	20 Å²	20	51.7 Å²	51.7	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-42.9	176.9	-69.9	172	0	0	0	112.1	V238 L241 V261 N262 Y267 H268 Q269	V238-L265 HydrophobicContact CG1-CD2 4.44Å; L241-L265 HydrophobicContact CB-CD2 3.96Å; L241-L265 HydrophobicContact CD1-CD2 4.39Å; V261-L265 HydrophobicContact CG1-CD1 4.35Å; V261-L265 WeakPolarHBondContact O-CG 3.47Å; V261-L265 PolarHBondContact O-N 3.1Å; N262-L265 PolarHBondContact O-N 2.96Å; L265-Y267 VanDerWaalsContact C-N 3.3Å; L265-Y267 PolarHBondContact O-N 3.04Å; L265-H268 PolarHBondContact O-N 3.16Å; L265-Q269 WeakPolarHBondContact O-CG 3.37Å; L265-Q269 PolarHBondContact O-N 3.23Å
266	E	94.6	Very high	93.4	Very high	112 Å²	112	44.4 Å²	44.4	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-39.6	174.8	-174.8	176.5	-172.4	0	0	111.7	N262 E263 A264 H268 Q269 S270 W277	N262-E266 PolarHBondContact O-N 3.07Å; E263-E266 PolarHBondContact O-N 3.1Å; A264-E266 PolarHBondContact O-N 3.12Å; E266-H268 VanDerWaalsContact C-N 3.35Å; E266-H268 PolarHBondContact O-N 3.13Å; E266-Q269 PolarHBondContact O-N 3.5Å; E266-S270 WeakPolarHBondContact O-CB 3.33Å; E266-S270 PolarHBondContact O-N 3.06Å; E266-S270 VanDerWaalsContact O-N 3.1Å; E266-S270 PolarHBondContact O-OG 2.95Å; E266-W277 HydrophobicContact CG-CZ3 4.25Å
267	Y	94.3	Very high	93.5	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-39.4	175.1	179.2	-96.2	0	0	0	112.6	E263 A264 L265 S270 Q274 W277 Q278 T282 R374	E263-Y267 WeakPolarHBondContact O-CB 3.27Å; E263-Y267 PolarHBondContact O-N 2.94Å; A264-Y267 WeakPolarHBondContact O-CB 3.32Å; A264-Y267 PolarHBondContact O-N 3.34Å; L265-Y267 VanDerWaalsContact C-N 3.3Å; L265-Y267 PolarHBondContact O-N 3.04Å; Y267-S270 PolarHBondContact O-N 2.76Å; Y267-Q274 HydrophobicContact CD1-CG 4.31Å; Y267-Q274 HydrophobicContact CD2-CG 4.11Å; Y267-Q274 HydrophobicContact CE1-CB 4.47Å; Y267-Q274 HydrophobicContact CE1-CG 3.88Å; Y267-Q274 HydrophobicContact CE2-CB 3.74Å; Y267-Q274 HydrophobicContact CE2-CG 3.66Å; Y267-Q274 HydrophobicContact CG-CG 4.4Å; Y267-Q274 WeakPolarHBondContact O-CG 3.47Å; Y267-Q274 PolarHBondContact O-NE2 2.95Å; Y267-Q274 VanDerWaalsContact O-NE2 3.09Å; Y267-Q274 WeakPolarHBondContact OH-CB 3.4Å; Y267-W277 HydrophobicContact CD2-CB 4.19Å; Y267-W277 HydrophobicContact CD2-CE3 4.45Å; Y267-W277 HydrophobicContact CE2-CB 4.24Å; Y267-Q278 PolarHBondContact OH-NE2 2.93Å; Y267-T282 HydrophobicContact CD1-CG2 4.33Å; Y267-T282 HydrophobicContact CD2-CG2 3.88Å; Y267-T282 HydrophobicContact CE1-CG2 4.27Å; Y267-T282 HydrophobicContact CE2-CG2 3.79Å; Y267-T282 HydrophobicContact CG-CG2 4.15Å; Y267-R374 PolarHBondContact OH-NH1 3.33Å
268	H	92.6	Very high	93.6	Very high	44 Å²	44	48.6 Å²	48.6	20%	0.204	25%	0.246	C	C	.	.	H	α-helix	trans	-72.7	-33.6	175.7	-74.1	-72	0	0	0	113.3	G234 M236 V238 A264 L265 E266 S270 I271	G234-H268 PolarHBondContact O-NE2 3.05Å; M236-H268 PolarHBondContact O-NE2 3.49Å; V238-H268 HydrophobicContact CG2-CB 3.78Å; A264-H268 PolarHBondContact O-CD2 2.97Å; A264-H268 PolarHBondContact O-N 2.91Å; L265-H268 PolarHBondContact O-N 3.16Å; E266-H268 VanDerWaalsContact C-N 3.35Å; E266-H268 PolarHBondContact O-N 3.13Å; H268-S270 VanDerWaalsContact C-N 3.28Å; H268-S270 PolarHBondContact O-N 2.75Å; H268-I271 WeakPolarHBondContact O-CG1 3.21Å
269	Q	93.3	Very high	93.6	Very high	156 Å²	156	48.9 Å²	48.9	73%	0.729	25%	0.248	S	C	*	.	H	α-helix	trans	-66.4	-31.9	174.7	-71.1	174	11.4	0	0	112.1	L265 E266 I271	L265-Q269 WeakPolarHBondContact O-CG 3.37Å; L265-Q269 PolarHBondContact O-N 3.23Å; E266-Q269 PolarHBondContact O-N 3.5Å; Q269-I271 PolarHBondContact O-N 3.36Å
270	S	93.8	Very high	93.4	Very high	35 Å²	35	56.3 Å²	56.3	25%	0.245	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	52.7	-174	-60	0	0	0	0	113.4	E266 Y267 H268 Y272 A273 Q274 W277	E266-S270 WeakPolarHBondContact O-CB 3.33Å; E266-S270 PolarHBondContact O-N 3.06Å; E266-S270 VanDerWaalsContact O-N 3.1Å; E266-S270 PolarHBondContact O-OG 2.95Å; Y267-S270 PolarHBondContact O-N 2.76Å; H268-S270 VanDerWaalsContact C-N 3.28Å; H268-S270 PolarHBondContact O-N 2.75Å; S270-Y272 VanDerWaalsContact C-N 3.27Å; S270-Y272 PolarHBondContact O-N 3.27Å; S270-A273 PolarHBondContact O-N 3.22Å; S270-Q274 PolarHBondContact O-N 3.47Å; S270-Q274 VanDerWaalsContact O-N 3.17Å; S270-W277 VanDerWaalsContact OG-CH2 3.29Å; S270-W277 WeakPolarHBondContact OG-CH2 3.34Å; S270-W277 VanDerWaalsContact OG-CZ3 3.24Å; S270-W277 WeakPolarHBondContact OG-CZ3 3.28Å
271	I	92.8	Very high	93.2	Very high	78 Å²	78	59.4 Å²	59.4	40%	0.4	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-49	-173.7	-60.7	173.7	0	0	0	112.7	H268 Q269 A273 Q274 R370	H268-I271 WeakPolarHBondContact O-CG1 3.21Å; Q269-I271 PolarHBondContact O-N 3.36Å; I271-A273 PolarHBondContact O-N 3.47Å; I271-Q274 WeakPolarHBondContact O-CB 3.46Å; I271-Q274 WeakPolarHBondContact O-CG 3.5Å; I271-Q274 PolarHBondContact O-OE1 3.33Å; I271-R370 PolarHBondContact O-NH2 3.21Å
272	Y	94.6	Very high	93.1	Very high	98 Å²	98	59.6 Å²	59.6	38%	0.384	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.8	-176.4	-51.3	-60.8	0	0	0	114.1	S270 P275 E380 I381 P421 N424	S270-Y272 VanDerWaalsContact C-N 3.27Å; S270-Y272 PolarHBondContact O-N 3.27Å; Y272-P275 VanDerWaalsContact O-CD 3.3Å; Y272-P275 WeakPolarHBondContact O-CD 3.44Å; Y272-E380 WeakPolarHBondContact CE1-O 3.34Å; Y272-I381 HydrophobicContact CD1-CG2 4.17Å; Y272-I381 HydrophobicContact CE1-CG2 4.47Å; Y272-P421 CarbonylContact C-O 3.54Å; Y272-P421 WeakPolarHBondContact CB-O 3.49Å; Y272-P421 CarbonylContact O-C 3.51Å; Y272-P421 WeakPolarHBondContact O-CB 3.48Å; Y272-N424 HydrophobicContact CD1-CB 4.44Å; Y272-N424 HydrophobicContact CD2-CB 3.85Å; Y272-N424 HydrophobicContact CE2-CB 4.39Å; Y272-N424 WeakPolarHBondContact CE2-ND2 3.31Å; Y272-N424 HydrophobicContact CG-CB 3.87Å
273	A	95.6	Very high	92.9	Very high	8 Å²	8	58.3 Å²	58.3	7%	0.066	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-15.4	-178.8	0	0	0	0	0	113.2	S270 I271 P275 V276 W277 K422	S270-A273 PolarHBondContact O-N 3.22Å; I271-A273 PolarHBondContact O-N 3.47Å; A273-P275 VanDerWaalsContact C-N 3.32Å; A273-P275 WeakPolarHBondContact O-CD 3.49Å; A273-P275 VanDerWaalsContact O-N 3.13Å; A273-V276 WeakPolarHBondContact O-CG2 2.97Å; A273-V276 PolarHBondContact O-N 2.89Å; A273-W277 HydrophobicContact CB-CD2 3.99Å; A273-W277 HydrophobicContact CB-CE3 4.32Å; A273-W277 HydrophobicContact CB-CH2 4.34Å; A273-W277 HydrophobicContact CB-CZ2 3.98Å; A273-W277 PolarHBondContact O-N 3.4Å; A273-K422 HydrophobicContact CB-CG 4.37Å
274	Q	95.2	Very high	92.6	Very high	11 Å²	11	55.4 Å²	55.4	5%	0.051	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-43.6	-44.1	176.3	-70.5	176.3	-21.3	0	0	115.7	Y267 S270 I271 V276 W277 Q278 F347	Y267-Q274 HydrophobicContact CD1-CG 4.31Å; Y267-Q274 HydrophobicContact CD2-CG 4.11Å; Y267-Q274 HydrophobicContact CE1-CB 4.47Å; Y267-Q274 HydrophobicContact CE1-CG 3.88Å; Y267-Q274 HydrophobicContact CE2-CB 3.74Å; Y267-Q274 HydrophobicContact CE2-CG 3.66Å; Y267-Q274 HydrophobicContact CG-CG 4.4Å; Y267-Q274 WeakPolarHBondContact O-CG 3.47Å; Y267-Q274 PolarHBondContact O-NE2 2.95Å; Y267-Q274 VanDerWaalsContact O-NE2 3.09Å; Y267-Q274 WeakPolarHBondContact OH-CB 3.4Å; S270-Q274 PolarHBondContact O-N 3.47Å; S270-Q274 VanDerWaalsContact O-N 3.17Å; I271-Q274 WeakPolarHBondContact O-CB 3.46Å; I271-Q274 WeakPolarHBondContact O-CG 3.5Å; I271-Q274 PolarHBondContact O-OE1 3.33Å; Q274-V276 PolarHBondContact O-N 3.03Å; Q274-V276 VanDerWaalsContact O-N 3.13Å; Q274-W277 PolarHBondContact O-N 2.84Å; Q274-W277 VanDerWaalsContact O-N 3.11Å; Q274-Q278 PolarHBondContact O-NE2 3.36Å; Q274-F347 HydrophobicContact CB-CE2 4.03Å; Q274-F347 HydrophobicContact CB-CZ 3.82Å
275	P	94.5	Very high	92.3	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.032	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.4	-27.9	-179.4	-18.2	28.9	0	0	0	114.2	Y272 A273 M344 G345 F347 F349 R370	Y272-P275 VanDerWaalsContact O-CD 3.3Å; Y272-P275 WeakPolarHBondContact O-CD 3.44Å; A273-P275 VanDerWaalsContact C-N 3.32Å; A273-P275 WeakPolarHBondContact O-CD 3.49Å; A273-P275 VanDerWaalsContact O-N 3.13Å; P275-M344 HydrophobicContact CB-CB 4.46Å; P275-M344 HydrophobicContact CB-CG 3.96Å; P275-M344 HydrophobicContact CB-SD 3.96Å; P275-G345 VanDerWaalsContact O-CA 3.32Å; P275-G345 WeakPolarHBondContact O-CA 3.31Å; P275-F347 HydrophobicContact CB-CD2 3.87Å; P275-F347 HydrophobicContact CB-CE2 4.43Å; P275-F347 HydrophobicContact CG-CD2 3.91Å; P275-F347 HydrophobicContact CG-CE2 4.37Å; P275-F347 HydrophobicContact CG-CG 4.36Å; P275-F349 HydrophobicContact CB-CE2 4.22Å; P275-F349 HydrophobicContact CB-CZ 4.2Å; P275-F349 HydrophobicContact CG-CE2 4.07Å; P275-F349 HydrophobicContact CG-CZ 3.66Å; P275-R370 VanDerWaalsContact CG-NH1 3.25Å
276	V	95.4	Very high	91.9	Very high	26 Å²	26	56.1 Å²	56.1	16%	0.158	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-101.9	-4.8	-177.7	-62.1	0	0	0	0	112.4	A273 Q274 M344 E398 P421 K422	A273-V276 WeakPolarHBondContact O-CG2 2.97Å; A273-V276 PolarHBondContact O-N 2.89Å; Q274-V276 PolarHBondContact O-N 3.03Å; Q274-V276 VanDerWaalsContact O-N 3.13Å; V276-M344 HydrophobicContact CG1-SD 3.8Å; V276-E398 HydrophobicContact CB-CB 4.39Å; V276-E398 HydrophobicContact CB-CG 4.25Å; V276-E398 HydrophobicContact CG1-CB 3.74Å; V276-E398 HydrophobicContact CG1-CG 4.08Å; V276-P421 HydrophobicContact CG1-CB 4.27Å; V276-P421 HydrophobicContact CG1-CG 3.96Å; V276-P421 HydrophobicContact CG2-CB 4.41Å; V276-K422 HydrophobicContact CG2-CD 4.33Å; V276-K422 HydrophobicContact CG2-CG 3.74Å
277	W	92.8	Very high	91.1	Very high	87 Å²	87	55.2 Å²	55.2	33%	0.33	25%	0.25	S	C	.	.	S	Bend	trans	-103.8	24.5	175.6	-67.2	-7.2	0	0	0	112.1	E266 Y267 S270 A273 Q274 T279	E266-W277 HydrophobicContact CG-CZ3 4.25Å; Y267-W277 HydrophobicContact CD2-CB 4.19Å; Y267-W277 HydrophobicContact CD2-CE3 4.45Å; Y267-W277 HydrophobicContact CE2-CB 4.24Å; S270-W277 VanDerWaalsContact OG-CH2 3.29Å; S270-W277 WeakPolarHBondContact OG-CH2 3.34Å; S270-W277 VanDerWaalsContact OG-CZ3 3.24Å; S270-W277 WeakPolarHBondContact OG-CZ3 3.28Å; A273-W277 HydrophobicContact CB-CD2 3.99Å; A273-W277 HydrophobicContact CB-CE3 4.32Å; A273-W277 HydrophobicContact CB-CH2 4.34Å; A273-W277 HydrophobicContact CB-CZ2 3.98Å; A273-W277 PolarHBondContact O-N 3.4Å; Q274-W277 PolarHBondContact O-N 2.84Å; Q274-W277 VanDerWaalsContact O-N 3.11Å; W277-T279 PolarHBondContact O-N 2.93Å
278	Q	90.3	Very high	90.5	Very high	50 Å²	50	56 Å²	56	23%	0.234	26%	0.257	C	S	.	.			trans	-68.3	124.7	178.4	-70	-49.9	-65.6	0	0	111.7	Y267 Q274 T282 G345	Y267-Q278 PolarHBondContact OH-NE2 2.93Å; Q274-Q278 PolarHBondContact O-NE2 3.36Å; Q278-T282 WeakPolarHBondContact CA-OG1 3.48Å; Q278-T282 PolarHBondContact OE1-O 3.48Å; Q278-T282 PolarHBondContact OE1-OG1 2.92Å; Q278-G345 VanDerWaalsContact CG-CA 3.49Å; Q278-G345 WeakPolarHBondContact CG-O 3.39Å
279	T	91.1	Very high	90.2	Very high	58 Å²	58	56.2 Å²	56.2	36%	0.356	26%	0.26	S	S	.	.			trans	-124.1	175.5	168.6	71.4	0	0	0	0	109.3	W277 R281 T282 K283	W277-T279 PolarHBondContact O-N 2.93Å; T279-R281 PolarHBondContact O-N 2.83Å; T279-R281 VanDerWaalsContact O-N 3.12Å; T279-R281 PolarHBondContact OG1-N 3.17Å; T279-T282 PolarHBondContact N-OG1 2.96Å; T279-T282 PolarHBondContact O-N 2.83Å; T279-T282 VanDerWaalsContact O-N 3.1Å; T279-T282 PolarHBondContact O-OG1 2.87Å; T279-K283 PolarHBondContact O-N 3.18Å; T279-K283 VanDerWaalsContact O-N 3.1Å
280	R	87.7	Confident	90.1	Very high	214 Å²	214	48.8 Å²	48.8	81%	0.808	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.6	171.4	-67.8	-176.6	178.9	-177.6	-0.1	112.6
281	R	90.1	Very high	90	Very high	74 Å²	74	47.2 Å²	47.2	28%	0.279	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.3	-178.6	-63.3	178.3	-65.3	-156.1	-0.2	114.1	R232 E263 T279	R232-R281 WeakPolarHBondContact CA-O 3.3Å; R232-R281 WeakPolarHBondContact CB-O 3.4Å; E263-R281 IonicContact OE1-CZ 3.51Å; E263-R281 IonicContact OE1-NE 3.1Å; E263-R281 PolarHBondContact OE1-NE 3.3Å; E263-R281 IonicContact OE1-NH2 3.24Å; E263-R281 PolarHBondContact OE1-NH2 2.99Å; E263-R281 IonicContact OE2-CZ 2.67Å; E263-R281 IonicContact OE2-NE 3.79Å; E263-R281 IonicContact OE2-NH1 2.66Å; E263-R281 PolarHBondContact OE2-NH1 2.96Å; E263-R281 IonicContact OE2-NH2 3.02Å; E263-R281 PolarHBondContact OE2-NH2 3.17Å; T279-R281 PolarHBondContact O-N 2.83Å; T279-R281 VanDerWaalsContact O-N 3.12Å; T279-R281 PolarHBondContact OG1-N 3.17Å
282	T	89.8	Confident	90.1	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.037	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-6.8	176	65.1	0	0	0	0	111.8	L235 Y267 Q278 T279 R374	L235-T282 WeakPolarHBondContact CD2-O 3.26Å; Y267-T282 HydrophobicContact CD1-CG2 4.33Å; Y267-T282 HydrophobicContact CD2-CG2 3.88Å; Y267-T282 HydrophobicContact CE1-CG2 4.27Å; Y267-T282 HydrophobicContact CE2-CG2 3.79Å; Y267-T282 HydrophobicContact CG-CG2 4.15Å; Q278-T282 WeakPolarHBondContact CA-OG1 3.48Å; Q278-T282 PolarHBondContact OE1-O 3.48Å; Q278-T282 PolarHBondContact OE1-OG1 2.92Å; T279-T282 PolarHBondContact N-OG1 2.96Å; T279-T282 PolarHBondContact O-N 2.83Å; T279-T282 VanDerWaalsContact O-N 3.1Å; T279-T282 PolarHBondContact O-OG1 2.87Å; T282-R374 PolarHBondContact O-NH1 3.44Å
283	K	88.6	Confident	90.1	Very high	62 Å²	62	39 Å²	39	27%	0.27	18%	0.177	S	C	.	.	S	Bend	trans	-76.1	126.7	177.6	-170.1	-176.1	-176.2	-143	0	109.5	D197 R232 T279	D197-K283 IonicContact OD2-NZ 3.06Å; D197-K283 PolarHBondContact OD2-NZ 3.48Å; R232-K283 VanDerWaalsContact CD-O 3.31Å; R232-K283 WeakPolarHBondContact CD-O 3.48Å; R232-K283 PolarHBondContact NH1-O 2.98Å; T279-K283 PolarHBondContact O-N 3.18Å; T279-K283 VanDerWaalsContact O-N 3.1Å
284	P	87.9	Confident	90.1	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.026	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-59.4	152.4	177.1	-21.5	33.4	0	0	0	112.4	R232 L235 F286 R374 P600	R232-P284 PolarHBondContact NH1-O 3.29Å; L235-P284 HydrophobicContact CD2-CG 4.49Å; P284-F286 VanDerWaalsContact O-CD1 3.31Å; P284-F286 WeakPolarHBondContact O-CD1 3.44Å; P284-R374 HydrophobicContact CB-CG 4.5Å; P284-R374 HydrophobicContact CG-CG 3.61Å; P284-P600 HydrophobicContact CB-CB 4.26Å; P284-P600 HydrophobicContact CB-CG 3.69Å; P284-P600 HydrophobicContact CG-CG 4.17Å
285	R	88.1	Confident	90	Very high	14 Å²	14	38.2 Å²	38.2	5%	0.053	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-81	129.1	166.7	-65.1	-174	-166.9	-97.4	1.9	109.3	L194 S196 D197 L199 T200 E204 Y230 R232	L194-R285 PolarHBondContact O-NH1 2.69Å; L194-R285 PolarHBondContact O-NH2 2.81Å; S196-R285 PolarHBondContact O-NH1 3.19Å; D197-R285 CarbonylContact O-C 3.59Å; D197-R285 VanDerWaalsContact O-CA 3.28Å; D197-R285 WeakPolarHBondContact O-CA 3.49Å; D197-R285 WeakPolarHBondContact O-CB 3.24Å; L199-R285 WeakPolarHBondContact O-CD 3.31Å; T200-R285 HydrophobicContact CG2-CB 4.35Å; E204-R285 WeakPolarHBondContact OE1-CD 3.29Å; E204-R285 IonicContact OE1-CZ 3.28Å; E204-R285 IonicContact OE1-NE 3.2Å; E204-R285 PolarHBondContact OE1-NE 2.93Å; E204-R285 IonicContact OE1-NH2 2.69Å; E204-R285 PolarHBondContact OE1-NH2 3.27Å; E204-R285 IonicContact OE2-NH2 3.89Å; Y230-R285 PolarHBondContact O-NH2 2.93Å; Y230-R285 VanDerWaalsContact O-NH2 3.13Å; R232-R285 VanDerWaalsContact CZ-CG 3.48Å
286	F	86.1	Confident	89.9	Confident	27 Å²	27	38 Å²	38	12%	0.118	17%	0.171	C	C	.	.			trans	-153.6	158.3	-178.9	65.9	-82.1	0	0	0	110.8	D197 P284 D289 P598	D197-F286 PolarHBondContact O-N 2.97Å; D197-F286 VanDerWaalsContact O-O 3.1Å; P284-F286 VanDerWaalsContact O-CD1 3.31Å; P284-F286 WeakPolarHBondContact O-CD1 3.44Å; F286-D289 VanDerWaalsContact CE2-OD1 3.3Å; F286-D289 WeakPolarHBondContact CE2-OD1 3.21Å; F286-P598 HydrophobicContact CB-CB 4.36Å; F286-P598 HydrophobicContact CD1-CB 3.61Å; F286-P598 HydrophobicContact CD1-CG 4.2Å; F286-P598 HydrophobicContact CD2-CB 4.05Å; F286-P598 HydrophobicContact CE1-CB 3.74Å; F286-P598 HydrophobicContact CE1-CG 3.79Å; F286-P598 HydrophobicContact CE2-CB 4.17Å; F286-P598 HydrophobicContact CE2-CG 4.24Å; F286-P598 HydrophobicContact CG-CB 3.76Å; F286-P598 HydrophobicContact CZ-CB 4.02Å; F286-P598 HydrophobicContact CZ-CG 3.81Å
287	Q	79.4	Confident	89.5	Confident	92 Å²	92	41 Å²	41	43%	0.43	18%	0.182	S	C	.	.	S	Bend	trans	-93.7	-37.3	-179.1	-65.9	-175.3	-4.3	0	0	113	T200	T200-Q287 HydrophobicContact CG2-CG 4.02Å; T200-Q287 PolarHBondContact OG1-NE2 3.38Å
288	S	81.3	Confident	89	Confident	26 Å²	26	38.9 Å²	38.9	18%	0.182	18%	0.175	C	C	.	.	S	Bend	trans	-153.6	155.4	-178.8	55.5	0	0	0	0	111.1	N311	S288-N311 PolarHBondContact OG-ND2 3.03Å
289	D	86.7	Confident	88.2	Confident	50 Å²	50	46.3 Å²	46.3	27%	0.267	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.6	169	-58.9	-39.7	0	0	0	109.3	F286 H545 F596	F286-D289 VanDerWaalsContact CE2-OD1 3.3Å; F286-D289 WeakPolarHBondContact CE2-OD1 3.21Å; D289-H545 IonicContact OD2-CE1 3.64Å; D289-H545 PolarHBondContact OD2-CE1 2.9Å; D289-H545 VanDerWaalsContact OD2-CE1 3.29Å; D289-H545 IonicContact OD2-ND1 2.66Å; D289-F596 HydrophobicContact CB-CB 4.38Å; D289-F596 HydrophobicContact CB-CD1 4.11Å
290	T	89.4	Confident	86.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.5	-174.8	-63.2	0	0	0	0	109.1	Y292 Y309 F310 N311 F596 L597 A599 L607	T290-Y292 HydrophobicContact CG2-CE2 4.18Å; T290-Y292 VanDerWaalsContact O-CD2 3.29Å; T290-Y292 WeakPolarHBondContact O-CD2 3.04Å; T290-Y292 PolarHBondContact O-N 2.98Å; T290-Y309 HydrophobicContact CG2-CD2 3.62Å; T290-Y309 HydrophobicContact CG2-CG 4.12Å; T290-F310 VanDerWaalsContact CG2-C 3.41Å; T290-F310 WeakPolarHBondContact CG2-O 3.19Å; T290-N311 HydrophobicContact CG2-CB 4.42Å; T290-F596 WeakPolarHBondContact O-CA 3.45Å; T290-F596 WeakPolarHBondContact O-CD1 3.4Å; T290-L597 PolarHBondContact N-O 2.69Å; T290-L597 PolarHBondContact O-N 2.81Å; T290-L597 VanDerWaalsContact O-N 3.15Å; T290-A599 HydrophobicContact CG2-CB 4.38Å; T290-A599 WeakPolarHBondContact OG1-CB 3.25Å; T290-L607 HydrophobicContact CG2-CD1 4.42Å
291	L	92.6	Very high	85.8	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.2	175.9	177.4	64.4	0	0	0	109.3	I293 Y309 F310 W326 A543 Y550 V552 I566 A594 F596	L291-I293 HydrophobicContact CG-CG2 4.43Å; L291-Y309 CarbonylContact O-C 3.45Å; L291-Y309 WeakPolarHBondContact O-CA 3.19Å; L291-F310 WeakPolarHBondContact CB-O 3.44Å; L291-F310 PolarHBondContact N-O 2.72Å; L291-F310 PolarHBondContact O-N 3.36Å; L291-W326 HydrophobicContact CD2-CH2 4.13Å; L291-A543 HydrophobicContact CD1-CB 3.9Å; L291-Y550 HydrophobicContact CD2-CD1 4.43Å; L291-V552 HydrophobicContact CD2-CG2 4.5Å; L291-I566 HydrophobicContact CD2-CD1 4.11Å; L291-A594 HydrophobicContact CD1-CB 4.28Å; L291-F596 HydrophobicContact CB-CE1 3.93Å; L291-F596 HydrophobicContact CB-CE2 4.43Å; L291-F596 HydrophobicContact CB-CZ 3.87Å; L291-F596 HydrophobicContact CD1-CD2 4.2Å; L291-F596 HydrophobicContact CD1-CE2 3.75Å; L291-F596 HydrophobicContact CD1-CZ 4.03Å; L291-F596 HydrophobicContact CG-CZ 4.46Å
292	Y	94.3	Very high	84.7	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.1	173.2	-74	-117.8	0	0	0	109.4	T290 L307 R308 L329 Y371 A594 C595 L597 P598 A599	T290-Y292 HydrophobicContact CG2-CE2 4.18Å; T290-Y292 VanDerWaalsContact O-CD2 3.29Å; T290-Y292 WeakPolarHBondContact O-CD2 3.04Å; T290-Y292 PolarHBondContact O-N 2.98Å; Y292-L307 HydrophobicContact CD1-CD1 3.75Å; Y292-L307 HydrophobicContact CD1-CD2 4.15Å; Y292-L307 HydrophobicContact CD1-CG 4.12Å; Y292-L307 HydrophobicContact CE1-CD2 4.45Å; Y292-L307 HydrophobicContact CG-CD1 4.46Å; Y292-R308 CarbonylContact C-O 3.56Å; Y292-R308 WeakPolarHBondContact CA-O 3.48Å; Y292-L329 HydrophobicContact CD1-CD1 4.03Å; Y292-L329 HydrophobicContact CE1-CD1 3.3Å; Y292-Y371 HydrophobicContact CE1-CE1 4.31Å; Y292-A594 CarbonylContact O-C 3.57Å; Y292-A594 VanDerWaalsContact O-CA 3.26Å; Y292-A594 WeakPolarHBondContact O-CA 3.46Å; Y292-C595 PolarHBondContact N-O 2.81Å; Y292-C595 PolarHBondContact O-N 3.3Å; Y292-L597 HydrophobicContact CD1-CD1 4.27Å; Y292-L597 HydrophobicContact CD2-CB 3.81Å; Y292-L597 HydrophobicContact CD2-CD1 4.3Å; Y292-L597 HydrophobicContact CE2-CB 3.71Å; Y292-L597 HydrophobicContact CG-CB 4.47Å; Y292-L597 HydrophobicContact CG-CD1 4.13Å; Y292-P598 PolarHBondContact OH-O 2.85Å; Y292-A599 HydrophobicContact CE2-CB 4.49Å
293	I	95	Very high	84.2	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.7	172	67.8	172.9	0	0	0	109.7	L291 L307 R308 W326 V552 L585 I592 A593 A594	L291-I293 HydrophobicContact CG-CG2 4.43Å; I293-L307 WeakPolarHBondContact O-CD1 3.39Å; I293-R308 HydrophobicContact CD1-CB 4.14Å; I293-R308 HydrophobicContact CG1-CB 3.76Å; I293-R308 PolarHBondContact N-O 2.82Å; I293-R308 PolarHBondContact O-N 2.86Å; I293-W326 HydrophobicContact CB-CZ3 4.27Å; I293-W326 HydrophobicContact CD1-CD2 4.33Å; I293-W326 HydrophobicContact CD1-CE3 3.77Å; I293-W326 HydrophobicContact CD1-CH2 3.81Å; I293-W326 HydrophobicContact CD1-CZ2 4.36Å; I293-W326 HydrophobicContact CD1-CZ3 3.49Å; I293-W326 VanDerWaalsContact CD1-CZ3 3.49Å; I293-W326 HydrophobicContact CG1-CE3 4.07Å; I293-W326 HydrophobicContact CG1-CH2 4.2Å; I293-W326 HydrophobicContact CG1-CZ3 3.58Å; I293-W326 HydrophobicContact CG2-CH2 3.71Å; I293-W326 HydrophobicContact CG2-CZ3 3.77Å; I293-V552 HydrophobicContact CG2-CG1 3.89Å; I293-L585 HydrophobicContact CD1-CD2 3.62Å; I293-L585 HydrophobicContact CG2-CD2 4.5Å; I293-I592 HydrophobicContact CB-CD1 3.82Å; I293-I592 HydrophobicContact CB-CG1 4.36Å; I293-I592 HydrophobicContact CD1-CD1 4.01Å; I293-I592 HydrophobicContact CG1-CD1 4.25Å; I293-A593 WeakPolarHBondContact CA-O 3.34Å; I293-A594 HydrophobicContact CG2-CB 4.44Å
294	I	95.4	Very high	84.1	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.7	-173.8	-170.5	155.8	0	0	0	113.4	L307 M332 H339 V341 L348 V350 W378 I592 A593	I294-L307 HydrophobicContact CB-CD1 4Å; I294-L307 HydrophobicContact CD1-CB 4.37Å; I294-L307 HydrophobicContact CD1-CD1 3.94Å; I294-L307 HydrophobicContact CG1-CD1 4.34Å; I294-M332 HydrophobicContact CD1-CE 4.17Å; I294-M332 HydrophobicContact CD1-CG 3.6Å; I294-M332 HydrophobicContact CD1-SD 3.54Å; I294-M332 VanDerWaalsContact CD1-SD 3.54Å; I294-M332 HydrophobicContact CG1-CE 3.55Å; I294-M332 HydrophobicContact CG1-CG 4.04Å; I294-M332 HydrophobicContact CG1-SD 3.59Å; I294-M332 VanDerWaalsContact CG1-SD 3.59Å; I294-H339 PolarHBondContact O-CE1 3.42Å; I294-H339 VanDerWaalsContact O-CE1 3.25Å; I294-H339 PolarHBondContact O-NE2 2.95Å; I294-V341 HydrophobicContact CG2-CG1 3.61Å; I294-L348 HydrophobicContact CD1-CD2 4.02Å; I294-V350 HydrophobicContact CD1-CG2 3.74Å; I294-W378 HydrophobicContact CD1-CH2 3.27Å; I294-W378 HydrophobicContact CD1-CZ2 3.51Å; I294-W378 HydrophobicContact CD1-CZ3 4.47Å; I294-I592 WeakPolarHBondContact O-CG1 3.36Å; I294-A593 HydrophobicContact CG2-CB 3.8Å; I294-A593 PolarHBondContact N-O 3.18Å; I294-A593 PolarHBondContact O-N 2.81Å; I294-A593 VanDerWaalsContact O-N 3.08Å
295	G	93.2	Very high	84.3	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.01	22%	0.223	C	C	.	.			trans	59.5	-145.2	176.6	0	0	0	0	0	113.8	V304	G295-V304 VanDerWaalsContact CA-O 3.32Å; G295-V304 WeakPolarHBondContact CA-O 3.41Å
296	G	91.8	Very high	84.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.			trans	101.9	-173.7	-173.8	0	0	0	0	0	112.8	K303 V304 R336 N590	G296-K303 WeakPolarHBondContact O-CA 3.44Å; G296-V304 PolarHBondContact O-N 2.86Å; G296-R336 PolarHBondContact N-O 2.98Å; G296-N590 WeakPolarHBondContact CA-O 3.4Å
297	K	87.8	Confident	84.8	Confident	90 Å²	90	47.2 Å²	47.2	39%	0.391	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-120.3	134.4	-179.8	175	170.4	-172.7	-170.3	0	110.3	C302 S589 N590	K297-C302 VanDerWaalsContact CG-O 3.28Å; K297-C302 WeakPolarHBondContact CG-O 3.5Å; K297-S589 PolarHBondContact N-OG 3.18Å; K297-S589 VanDerWaalsContact N-OG 3.12Å; K297-S589 WeakPolarHBondContact O-CA 3.26Å; K297-S589 PolarHBondContact O-OG 2.88Å; K297-N590 PolarHBondContact N-O 3.18Å
298	K	82.1	Confident	85.4	Confident	43 Å²	43	43.7 Å²	43.7	19%	0.187	21%	0.206	C	C	.	.			trans	-104	163.2	168.5	-68	171.2	179.6	177	0	108.8	V301 V304 E306 F587	K298-V301 CarbonylContact C-O 3.47Å; K298-V301 WeakPolarHBondContact CA-O 3.34Å; K298-V301 HydrophobicContact CB-CB 4.14Å; K298-V301 WeakPolarHBondContact CB-O 3.39Å; K298-V301 HydrophobicContact CD-CB 4.27Å; K298-V301 PolarHBondContact N-O 2.95Å; K298-V304 HydrophobicContact CD-CG2 3.72Å; K298-V304 HydrophobicContact CG-CG2 3.65Å; K298-E306 IonicContact NZ-OE1 3.07Å; K298-E306 PolarHBondContact NZ-OE1 2.76Å; K298-F587 HydrophobicContact CD-CD2 3.85Å; K298-F587 HydrophobicContact CD-CE2 4.1Å; K298-F587 HydrophobicContact CD-CG 4.17Å; K298-F587 VanDerWaalsContact CE-CD1 3.43Å; K298-F587 HydrophobicContact CG-CD2 3.41Å; K298-F587 VanDerWaalsContact CG-CD2 3.41Å; K298-F587 HydrophobicContact CG-CE2 3.69Å; K298-F587 HydrophobicContact CG-CG 4.17Å
299	R	73	Confident	85.9	Confident	206 Å²	206	42.7 Å²	42.7	78%	0.777	20%	0.198	S	C	*	.	S	Bend	trans	-67.2	-38.5	175	-167.8	174.7	-177.7	161.9	0.5	111.8	E561	R299-E561 IonicContact NH1-OE1 3.74Å; R299-E561 PolarHBondContact NH1-OE1 3.12Å
300	E	65.3	Low	85.8	Confident	187 Å²	187	42 Å²	42	87%	0.874	19%	0.193	S	C	*	.	S	Bend	trans	-90.1	-33.5	-178.2	-62.9	170	-176.3	0	0	113
301	V	63.5	Low	85.4	Confident	71 Å²	71	42.7 Å²	42.7	43%	0.43	20%	0.197	S	C	.	.	S	Bend	trans	-114.5	114.8	178.6	-178.1	0	0	0	0	108.7	K298 K303	K298-V301 CarbonylContact C-O 3.47Å; K298-V301 WeakPolarHBondContact CA-O 3.34Å; K298-V301 HydrophobicContact CB-CB 4.14Å; K298-V301 WeakPolarHBondContact CB-O 3.39Å; K298-V301 HydrophobicContact CD-CB 4.27Å; K298-V301 PolarHBondContact N-O 2.95Å; V301-K303 WeakPolarHBondContact CG1-O 3.28Å; V301-K303 PolarHBondContact O-N 2.83Å; V301-K303 VanDerWaalsContact O-N 3.15Å
302	C	67	Low	84.3	Confident	58 Å²	58	43.5 Å²	43.5	39%	0.392	20%	0.202	S	C	.	.	S	Bend	trans	-56.7	-34.7	-174.5	-71	0	0	0	0	113.6	K297 E356	K297-C302 VanDerWaalsContact CG-O 3.28Å; K297-C302 WeakPolarHBondContact CG-O 3.5Å; C302-E356 WeakPolarHBondContact CB-OE2 3.29Å; C302-E356 PolarHBondContact SG-OE2 3.1Å; C302-E356 VanDerWaalsContact SG-OE2 3.37Å
303	K	80.4	Confident	82.8	Confident	24 Å²	24	46.9 Å²	46.9	10%	0.104	22%	0.223	C	C	.	.	S	Bend	trans	-148.9	131.2	-179.8	-55.5	-67.6	173	-172.5	0	112	G296 V301 S337 E354	G296-K303 WeakPolarHBondContact O-CA 3.44Å; V301-K303 WeakPolarHBondContact CG1-O 3.28Å; V301-K303 PolarHBondContact O-N 2.83Å; V301-K303 VanDerWaalsContact O-N 3.15Å; K303-S337 PolarHBondContact NZ-OG 3.47Å; K303-E354 IonicContact NZ-OE2 3.37Å; K303-E354 PolarHBondContact NZ-OE2 3.44Å
304	V	86.3	Confident	81	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.			trans	-90.8	142	-177.3	179.8	0	0	0	0	109.7	G295 G296 K298 E306 G335 R336 F587	G295-V304 VanDerWaalsContact CA-O 3.32Å; G295-V304 WeakPolarHBondContact CA-O 3.41Å; G296-V304 PolarHBondContact O-N 2.86Å; K298-V304 HydrophobicContact CD-CG2 3.72Å; K298-V304 HydrophobicContact CG-CG2 3.65Å; V304-E306 HydrophobicContact CG1-CB 4.23Å; V304-E306 WeakPolarHBondContact CG1-OE2 3.49Å; V304-G335 VanDerWaalsContact O-CA 3.25Å; V304-G335 WeakPolarHBondContact O-CA 3.45Å; V304-R336 PolarHBondContact O-N 3.22Å; V304-F587 HydrophobicContact CG1-CZ 4.02Å; V304-F587 HydrophobicContact CG2-CE2 3.97Å; V304-F587 HydrophobicContact CG2-CZ 4.21Å
305	K	91.3	Very high	78.9	Confident	101 Å²	101	56 Å²	56	44%	0.439	27%	0.268	S	S	.	.			trans	-108.8	-20.5	175.8	64	175.1	-175.9	178.2	0	113	P331 M332	K305-P331 HydrophobicContact CB-CB 4.35Å; K305-P331 HydrophobicContact CD-CB 3.94Å; K305-P331 HydrophobicContact CD-CG 4.48Å; K305-P331 HydrophobicContact CG-CB 3.84Å; K305-M332 HydrophobicContact CB-CB 4.44Å; K305-M332 WeakPolarHBondContact O-CB 3.35Å; K305-M332 PolarHBondContact O-N 3.1Å
306	E	91.4	Very high	76.6	Confident	37 Å²	37	64.7 Å²	64.7	17%	0.173	31%	0.308	C	S	.	.			trans	-67	134	-170.8	-56.1	94.7	97.8	0	0	111.3	K298 V304 R308	K298-E306 IonicContact NZ-OE1 3.07Å; K298-E306 PolarHBondContact NZ-OE1 2.76Å; V304-E306 HydrophobicContact CG1-CB 4.23Å; V304-E306 WeakPolarHBondContact CG1-OE2 3.49Å; E306-R308 VanDerWaalsContact CB-NH1 3.34Å; E306-R308 IonicContact OE1-CZ 3.33Å; E306-R308 IonicContact OE1-NH1 3.98Å; E306-R308 IonicContact OE1-NH2 3.75Å; E306-R308 PolarHBondContact OE1-NH2 2.96Å
307	L	93.4	Very high	74.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.4	167.2	174.9	58.9	0	0	0	107.4	Y292 I293 I294 E328 L329 L348 Y371 W378	Y292-L307 HydrophobicContact CD1-CD1 3.75Å; Y292-L307 HydrophobicContact CD1-CD2 4.15Å; Y292-L307 HydrophobicContact CD1-CG 4.12Å; Y292-L307 HydrophobicContact CE1-CD2 4.45Å; Y292-L307 HydrophobicContact CG-CD1 4.46Å; I293-L307 WeakPolarHBondContact O-CD1 3.39Å; I294-L307 HydrophobicContact CB-CD1 4Å; I294-L307 HydrophobicContact CD1-CB 4.37Å; I294-L307 HydrophobicContact CD1-CD1 3.94Å; I294-L307 HydrophobicContact CG1-CD1 4.34Å; L307-E328 WeakPolarHBondContact O-CA 3.13Å; L307-L329 HydrophobicContact CB-CB 4.32Å; L307-L329 HydrophobicContact CD2-CB 3.98Å; L307-L329 HydrophobicContact CD2-CD1 4.08Å; L307-L329 HydrophobicContact CG-CB 4.09Å; L307-L329 HydrophobicContact CG-CD1 4.26Å; L307-L329 PolarHBondContact O-N 2.76Å; L307-L348 HydrophobicContact CD1-CD2 4.15Å; L307-Y371 HydrophobicContact CD2-CD1 3.68Å; L307-Y371 HydrophobicContact CD2-CD2 4Å; L307-Y371 HydrophobicContact CD2-CE1 3.52Å; L307-Y371 HydrophobicContact CD2-CE2 3.84Å; L307-Y371 HydrophobicContact CD2-CG 3.92Å; L307-W378 HydrophobicContact CB-CZ2 4.48Å; L307-W378 HydrophobicContact CD2-CZ2 4.07Å
308	R	92.4	Very high	72	Confident	17 Å²	17	68.9 Å²	68.9	6%	0.064	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.7	178.9	-58	-173.1	176.7	79.3	0.8	110.7	Y292 I293 E306 W326 S327 E328	Y292-R308 CarbonylContact C-O 3.56Å; Y292-R308 WeakPolarHBondContact CA-O 3.48Å; I293-R308 HydrophobicContact CD1-CB 4.14Å; I293-R308 HydrophobicContact CG1-CB 3.76Å; I293-R308 PolarHBondContact N-O 2.82Å; I293-R308 PolarHBondContact O-N 2.86Å; E306-R308 VanDerWaalsContact CB-NH1 3.34Å; E306-R308 IonicContact OE1-CZ 3.33Å; E306-R308 IonicContact OE1-NH1 3.98Å; E306-R308 IonicContact OE1-NH2 3.75Å; E306-R308 PolarHBondContact OE1-NH2 2.96Å; R308-W326 HydrophobicContact CB-CE3 3.92Å; R308-S327 CarbonylContact C-O 3.51Å; R308-S327 WeakPolarHBondContact CA-O 3.31Å; R308-E328 HydrophobicContact CG-CG 4.09Å; R308-E328 IonicContact CZ-OE1 3.48Å; R308-E328 IonicContact NE-OE1 3.95Å; R308-E328 PolarHBondContact NE-OE1 2.89Å; R308-E328 IonicContact NH2-OE1 3.5Å; R308-E328 PolarHBondContact NH2-OE1 3.01Å
309	Y	91	Very high	70.2	Confident	6 Å²	6	74.9 Å²	74.9	2%	0.024	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.8	177.3	73	-90.9	0	0	0	112.5	T290 L291 S327 L329 C604 L607	T290-Y309 HydrophobicContact CG2-CD2 3.62Å; T290-Y309 HydrophobicContact CG2-CG 4.12Å; L291-Y309 CarbonylContact O-C 3.45Å; L291-Y309 WeakPolarHBondContact O-CA 3.19Å; Y309-S327 WeakPolarHBondContact CD1-O 3.29Å; Y309-S327 PolarHBondContact N-O 3.23Å; Y309-S327 PolarHBondContact O-N 3.46Å; Y309-S327 WeakPolarHBondContact OH-CB 3.46Å; Y309-L329 HydrophobicContact CD1-CD1 3.51Å; Y309-L329 HydrophobicContact CD1-CD2 4.27Å; Y309-L329 HydrophobicContact CD1-CG 3.64Å; Y309-L329 HydrophobicContact CE1-CD1 4.08Å; Y309-L329 HydrophobicContact CE1-CD2 3.98Å; Y309-L329 HydrophobicContact CE1-CG 3.81Å; Y309-L329 HydrophobicContact CG-CD1 4.37Å; Y309-C604 HydrophobicContact CE1-CB 4.27Å; Y309-C604 HydrophobicContact CE2-CB 3.96Å; Y309-C604 WeakPolarHBondContact OH-CA 3.39Å; Y309-L607 HydrophobicContact CD2-CD1 4.27Å; Y309-L607 HydrophobicContact CE2-CD1 3.87Å; Y309-L607 HydrophobicContact CE2-CD2 4.02Å; Y309-L607 HydrophobicContact CE2-CG 3.8Å
310	F	86	Confident	68.7	Low	36 Å²	36	71.8 Å²	71.8	16%	0.158	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	132.6	176.4	172.6	-95.4	0	0	0	110.3	T290 L291 P312 A324 W326 P583	T290-F310 VanDerWaalsContact CG2-C 3.41Å; T290-F310 WeakPolarHBondContact CG2-O 3.19Å; L291-F310 WeakPolarHBondContact CB-O 3.44Å; L291-F310 PolarHBondContact N-O 2.72Å; L291-F310 PolarHBondContact O-N 3.36Å; F310-P312 HydrophobicContact CE1-CB 4.19Å; F310-P312 WeakPolarHBondContact O-CD 3.45Å; F310-A324 HydrophobicContact CD2-CB 3.77Å; F310-A324 HydrophobicContact CE2-CB 3.62Å; F310-A324 HydrophobicContact CZ-CB 4.4Å; F310-W326 HydrophobicContact CB-CD2 3.99Å; F310-W326 HydrophobicContact CB-CE3 3.71Å; F310-W326 HydrophobicContact CB-CH2 3.79Å; F310-W326 HydrophobicContact CB-CZ2 4.05Å; F310-W326 HydrophobicContact CB-CZ3 3.6Å; F310-P583 HydrophobicContact CD1-CG 3.85Å; F310-P583 HydrophobicContact CE1-CB 4.26Å; F310-P583 HydrophobicContact CE1-CG 3.52Å; F310-P583 HydrophobicContact CE2-CB 4.48Å; F310-P583 HydrophobicContact CG-CG 4.5Å; F310-P583 HydrophobicContact CZ-CB 4.13Å; F310-P583 HydrophobicContact CZ-CG 3.89Å
311	N	80.9	Confident	67.4	Low	14 Å²	14	65.4 Å²	65.4	8%	0.075	35%	0.354	C	S	.	.			trans	-91.3	116	177.5	-178.4	8.4	0	0	0	110.8	S288 T290 V313 D314 L607	S288-N311 PolarHBondContact OG-ND2 3.03Å; T290-N311 HydrophobicContact CG2-CB 4.42Å; N311-V313 VanDerWaalsContact C-N 3.34Å; N311-V313 WeakPolarHBondContact OD1-CB 3.41Å; N311-V313 PolarHBondContact OD1-N 3.38Å; N311-D314 PolarHBondContact ND2-OD2 2.89Å; N311-L607 HydrophobicContact CB-CD2 3.61Å
312	P	69.6	Low	66.7	Low	18 Å²	18	68.2 Å²	68.2	12%	0.117	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.5	179.4	34.1	-35.4	0	0	0	114.9	F310 Q315 Y550 F596	F310-P312 HydrophobicContact CE1-CB 4.19Å; F310-P312 WeakPolarHBondContact O-CD 3.45Å; P312-Q315 WeakPolarHBondContact O-CG 3.24Å; P312-Y550 HydrophobicContact CB-CE1 4.46Å; P312-F596 HydrophobicContact CG-CE1 3.8Å; P312-F596 HydrophobicContact CG-CZ 4.18Å
313	V	62.3	Low	66	Low	72 Å²	72	71.6 Å²	71.6	44%	0.436	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.5	-175.2	-177.2	0	0	0	0	112.9	N311 Q315	N311-V313 VanDerWaalsContact C-N 3.34Å; N311-V313 WeakPolarHBondContact OD1-CB 3.41Å; N311-V313 PolarHBondContact OD1-N 3.38Å; V313-Q315 PolarHBondContact O-N 3.38Å
314	D	56.8	Low	65	Low	88 Å²	88	71.1 Å²	71.1	47%	0.471	38%	0.384	S	S	.	.			trans	-74.5	60.2	174.4	-63.2	-38.7	0	0	0	111.1	N311 E316 N317	N311-D314 PolarHBondContact ND2-OD2 2.89Å; D314-E316 VanDerWaalsContact C-N 3.27Å; D314-E316 PolarHBondContact O-N 3.21Å; D314-N317 PolarHBondContact O-N 3.45Å
315	Q	51.1	Low	64.4	Low	107 Å²	107	77.9 Å²	77.9	50%	0.5	42%	0.42	S	S	.	.	H	α-helix	trans	-71.5	-14.4	-170.3	-75.8	-177.6	2.1	0	0	114.2	P312 V313 N317	P312-Q315 WeakPolarHBondContact O-CG 3.24Å; V313-Q315 PolarHBondContact O-N 3.38Å; Q315-N317 PolarHBondContact O-N 3Å
316	E	45.3	Very low	64.1	Low	184 Å²	184	74.6 Å²	74.6	86%	0.86	41%	0.405	S	S	*	.	H	α-helix	trans	-70.7	-19.8	173.1	-73.9	-172	163.8	0	0	112.7	D314	D314-E316 VanDerWaalsContact C-N 3.27Å; D314-E316 PolarHBondContact O-N 3.21Å
317	N	40.8	Very low	64	Low	114 Å²	114	73.6 Å²	73.6	61%	0.61	40%	0.403	S	S	*	.	H	α-helix	trans	-105.2	-13.2	178.6	-71.2	-37.7	0	0	0	114.2	D314 Q315 L319 I320 A321	D314-N317 PolarHBondContact O-N 3.45Å; Q315-N317 PolarHBondContact O-N 3Å; N317-L319 VanDerWaalsContact C-N 3.33Å; N317-L319 PolarHBondContact O-N 2.79Å; N317-I320 PolarHBondContact O-N 2.86Å; N317-A321 PolarHBondContact O-N 3.25Å
318	A	42.8	Very low	63.8	Low	64 Å²	64	79.1 Å²	79.1	53%	0.529	43%	0.428	S	S	.	.	H	α-helix	trans	-71.3	-23.5	-175.2	0	0	0	0	0	114.1
319	L	44.5	Very low	63.9	Low	168 Å²	168	78.9 Å²	78.9	88%	0.88	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.9	175.2	-77	162	0	0	0	113.3	N317	N317-L319 VanDerWaalsContact C-N 3.33Å; N317-L319 PolarHBondContact O-N 2.79Å
320	I	41.1	Very low	64	Low	141 Å²	141	79.7 Å²	79.7	72%	0.723	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-27.3	-171.4	-58.2	177.9	0	0	0	112.6	N317 T322	N317-I320 PolarHBondContact O-N 2.86Å; I320-T322 PolarHBondContact O-N 2.93Å
321	A	38.4	Very low	64.4	Low	54 Å²	54	80.8 Å²	80.8	45%	0.446	45%	0.447	S	S	.	.			trans	-90.7	97.2	-179.4	0	0	0	0	0	112.1	N317 I323	N317-A321 PolarHBondContact O-N 3.25Å; A321-I323 PolarHBondContact O-N 3.45Å
322	T	47.4	Very low	65	Low	129 Å²	129	80.3 Å²	80.3	79%	0.791	44%	0.444	S	S	*	.	S	Bend	trans	-59.2	-8.6	166.6	34	0	0	0	0	113.9	I320	I320-T322 PolarHBondContact O-N 2.93Å
323	I	52.1	Low	66.1	Low	130 Å²	130	83 Å²	83	67%	0.667	46%	0.462	S	S	*	.	S	Bend	trans	-131	108.9	176.7	-56.1	173.2	0	0	0	107.8	A321	A321-I323 PolarHBondContact O-N 3.45Å
324	A	61	Low	67.5	Low	13 Å²	13	82.4 Å²	82.4	11%	0.107	46%	0.458	C	S	.	.			trans	-71.6	135.7	171.1	0	0	0	0	0	110.8	F310 W326 P583	F310-A324 HydrophobicContact CD2-CB 3.77Å; F310-A324 HydrophobicContact CE2-CB 3.62Å; F310-A324 HydrophobicContact CZ-CB 4.4Å; A324-W326 PolarHBondContact O-N 3.23Å; A324-P583 HydrophobicContact CB-CB 3.49Å; A324-P583 VanDerWaalsContact CB-CB 3.49Å
325	N	72.1	Confident	69.1	Low	142 Å²	142	79 Å²	79	76%	0.759	44%	0.444	S	S	*	.			trans	-78	73.9	175.1	-75.9	-10.7	0	0	0	110.6	S327	N325-S327 PolarHBondContact O-N 3.42Å
326	W	85.4	Confident	71.1	Confident	33 Å²	33	74.2 Å²	74.2	13%	0.125	42%	0.421	C	S	.	.			trans	-62.5	128.6	170.1	-70	90	0	0	0	110	L291 I293 R308 F310 A324 I566 T584 L585 P586	L291-W326 HydrophobicContact CD2-CH2 4.13Å; I293-W326 HydrophobicContact CB-CZ3 4.27Å; I293-W326 HydrophobicContact CD1-CD2 4.33Å; I293-W326 HydrophobicContact CD1-CE3 3.77Å; I293-W326 HydrophobicContact CD1-CH2 3.81Å; I293-W326 HydrophobicContact CD1-CZ2 4.36Å; I293-W326 HydrophobicContact CD1-CZ3 3.49Å; I293-W326 VanDerWaalsContact CD1-CZ3 3.49Å; I293-W326 HydrophobicContact CG1-CE3 4.07Å; I293-W326 HydrophobicContact CG1-CH2 4.2Å; I293-W326 HydrophobicContact CG1-CZ3 3.58Å; I293-W326 HydrophobicContact CG2-CH2 3.71Å; I293-W326 HydrophobicContact CG2-CZ3 3.77Å; R308-W326 HydrophobicContact CB-CE3 3.92Å; F310-W326 HydrophobicContact CB-CD2 3.99Å; F310-W326 HydrophobicContact CB-CE3 3.71Å; F310-W326 HydrophobicContact CB-CH2 3.79Å; F310-W326 HydrophobicContact CB-CZ2 4.05Å; F310-W326 HydrophobicContact CB-CZ3 3.6Å; A324-W326 PolarHBondContact O-N 3.23Å; W326-I566 HydrophobicContact CH2-CD1 4.03Å; W326-I566 HydrophobicContact CZ2-CD1 3.73Å; W326-T584 PolarHBondContact NE1-O 2.9Å; W326-L585 HydrophobicContact CH2-CD2 4.07Å; W326-L585 HydrophobicContact CZ2-CD2 3.77Å; W326-P586 HydrophobicContact CB-CB 4.45Å; W326-P586 HydrophobicContact CB-CG 4.17Å; W326-P586 HydrophobicContact CD2-CG 4.29Å; W326-P586 HydrophobicContact CG-CB 4.35Å; W326-P586 HydrophobicContact CG-CG 3.89Å
327	S	88.7	Confident	73.5	Confident	16 Å²	16	65.4 Å²	65.4	11%	0.112	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.8	175.6	-67	0	0	0	0	110.1	R308 Y309 N325 N606	R308-S327 CarbonylContact C-O 3.51Å; R308-S327 WeakPolarHBondContact CA-O 3.31Å; Y309-S327 WeakPolarHBondContact CD1-O 3.29Å; Y309-S327 PolarHBondContact N-O 3.23Å; Y309-S327 PolarHBondContact O-N 3.46Å; Y309-S327 WeakPolarHBondContact OH-CB 3.46Å; N325-S327 PolarHBondContact O-N 3.42Å; S327-N606 PolarHBondContact OG-ND2 2.68Å
328	E	90.5	Very high	76	Confident	116 Å²	116	61 Å²	61	54%	0.542	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	146.3	-179.1	-48.9	-157.9	157	0	0	111.4	L307 R308	L307-E328 WeakPolarHBondContact O-CA 3.13Å; R308-E328 HydrophobicContact CG-CG 4.09Å; R308-E328 IonicContact CZ-OE1 3.48Å; R308-E328 IonicContact NE-OE1 3.95Å; R308-E328 PolarHBondContact NE-OE1 2.89Å; R308-E328 IonicContact NH2-OE1 3.5Å; R308-E328 PolarHBondContact NH2-OE1 3.01Å
329	L	92.9	Very high	78.6	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-177.9	173.7	-71.4	166.2	0	0	0	109.5	Y292 L307 Y309 P331 Y371 N376 T603	Y292-L329 HydrophobicContact CD1-CD1 4.03Å; Y292-L329 HydrophobicContact CE1-CD1 3.3Å; L307-L329 HydrophobicContact CB-CB 4.32Å; L307-L329 HydrophobicContact CD2-CB 3.98Å; L307-L329 HydrophobicContact CD2-CD1 4.08Å; L307-L329 HydrophobicContact CG-CB 4.09Å; L307-L329 HydrophobicContact CG-CD1 4.26Å; L307-L329 PolarHBondContact O-N 2.76Å; Y309-L329 HydrophobicContact CD1-CD1 3.51Å; Y309-L329 HydrophobicContact CD1-CD2 4.27Å; Y309-L329 HydrophobicContact CD1-CG 3.64Å; Y309-L329 HydrophobicContact CE1-CD1 4.08Å; Y309-L329 HydrophobicContact CE1-CD2 3.98Å; Y309-L329 HydrophobicContact CE1-CG 3.81Å; Y309-L329 HydrophobicContact CG-CD1 4.37Å; L329-P331 VanDerWaalsContact O-N 3.15Å; L329-Y371 WeakPolarHBondContact CD1-OH 3.36Å; L329-N376 WeakPolarHBondContact CB-OD1 3.32Å; L329-T603 WeakPolarHBondContact CD2-O 3.48Å
330	A	93.5	Very high	81.1	Confident	24 Å²	24	51.4 Å²	51.4	20%	0.198	30%	0.297	C	S	.	.	S	Bend	trans	-53.3	124.9	177.7	0	0	0	0	0	110.2	Y371 N376 W378	A330-Y371 HydrophobicContact CB-CE2 4.39Å; A330-N376 WeakPolarHBondContact CB-O 3.36Å; A330-N376 WeakPolarHBondContact CB-OD1 3.18Å; A330-N376 PolarHBondContact N-OD1 3.2Å; A330-W378 PolarHBondContact O-NE1 3Å
331	P	94.7	Very high	83.8	Confident	59 Å²	59	45.9 Å²	45.9	38%	0.383	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-71.6	153.9	-176.9	29.5	-35	0	0	0	110.7	K305 L329 W378	K305-P331 HydrophobicContact CB-CB 4.35Å; K305-P331 HydrophobicContact CD-CB 3.94Å; K305-P331 HydrophobicContact CD-CG 4.48Å; K305-P331 HydrophobicContact CG-CB 3.84Å; L329-P331 VanDerWaalsContact O-N 3.15Å; P331-W378 VanDerWaalsContact O-CD1 3.26Å; P331-W378 PolarHBondContact O-NE1 2.82Å
332	M	94.4	Very high	86.6	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.015	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-55.8	149.4	170.4	-70.6	-172.3	-70.3	0	0	111.2	I294 K305 V334 R336 V350 W378	I294-M332 HydrophobicContact CD1-CE 4.17Å; I294-M332 HydrophobicContact CD1-CG 3.6Å; I294-M332 HydrophobicContact CD1-SD 3.54Å; I294-M332 VanDerWaalsContact CD1-SD 3.54Å; I294-M332 HydrophobicContact CG1-CE 3.55Å; I294-M332 HydrophobicContact CG1-CG 4.04Å; I294-M332 HydrophobicContact CG1-SD 3.59Å; I294-M332 VanDerWaalsContact CG1-SD 3.59Å; K305-M332 HydrophobicContact CB-CB 4.44Å; K305-M332 WeakPolarHBondContact O-CB 3.35Å; K305-M332 PolarHBondContact O-N 3.1Å; M332-V334 PolarHBondContact O-N 3.45Å; M332-R336 HydrophobicContact CE-CG 3.9Å; M332-R336 HydrophobicContact SD-CG 4.17Å; M332-V350 HydrophobicContact SD-CB 4.48Å; M332-V350 HydrophobicContact SD-CG1 3.9Å; M332-V350 HydrophobicContact SD-CG2 4.13Å; M332-W378 HydrophobicContact CG-CD2 4.49Å; M332-W378 HydrophobicContact CG-CH2 3.67Å; M332-W378 HydrophobicContact CG-CZ2 3.51Å; M332-W378 HydrophobicContact CG-CZ3 4.18Å; M332-W378 HydrophobicContact SD-CH2 4.41Å
333	P	91.9	Very high	89	Confident	74 Å²	74	40 Å²	40	48%	0.481	23%	0.229	S	C	.	.	S	Bend	trans	-56.7	-37.6	174.8	-26.1	34.3	0	0	0	113.3	W378	P333-W378 HydrophobicContact CG-CB 4.19Å
334	V	91.1	Very high	91	Very high	60 Å²	60	34.4 Å²	34.4	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-135	126.8	-178	-176.5	0	0	0	0	109.9	M332 V355	M332-V334 PolarHBondContact O-N 3.45Å; V334-V355 HydrophobicContact CG1-CB 4.49Å; V334-V355 HydrophobicContact CG1-CG1 3.59Å; V334-V355 HydrophobicContact CG1-CG2 3.99Å
335	G	91.1	Very high	92.5	Very high	16 Å²	16	34.9 Å²	34.9	17%	0.165	21%	0.207	C	C	.	.			trans	-65.9	135.4	175.8	0	0	0	0	0	112	V304	V304-G335 VanDerWaalsContact O-CA 3.25Å; V304-G335 WeakPolarHBondContact O-CA 3.45Å
336	R	93.8	Very high	93.5	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.026	18%	0.179	C	C	.	.			trans	-152.6	157.4	-175	59.6	179.4	79.1	-153.1	5.3	112.7	G296 V304 M332 H339 G352 E354 V355 T367	G296-R336 PolarHBondContact N-O 2.98Å; V304-R336 PolarHBondContact O-N 3.22Å; M332-R336 HydrophobicContact CE-CG 3.9Å; M332-R336 HydrophobicContact SD-CG 4.17Å; R336-H339 HydrophobicContact CG-CB 4.11Å; R336-H339 PolarHBondContact O-ND1 3.49Å; R336-G352 WeakPolarHBondContact CD-O 3.42Å; R336-G352 PolarHBondContact NH1-O 3.31Å; R336-E354 VanDerWaalsContact CA-O 3.29Å; R336-E354 WeakPolarHBondContact CA-O 3.49Å; R336-E354 WeakPolarHBondContact CB-O 3.25Å; R336-V355 HydrophobicContact CB-CG2 4.06Å; R336-T367 PolarHBondContact NH1-O 2.8Å; R336-T367 VanDerWaalsContact NH1-O 3.17Å; R336-T367 PolarHBondContact NH1-OG1 3.26Å; R336-T367 PolarHBondContact NH2-OG1 3.3Å
337	S	94.4	Very high	93.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-132	167.2	171.2	82.4	0	0	0	0	110.3	K303 H339 G353 E354	K303-S337 PolarHBondContact NZ-OG 3.47Å; S337-H339 PolarHBondContact O-N 3.1Å; S337-G353 CarbonylContact O-C 3.43Å; S337-G353 WeakPolarHBondContact O-CA 3.46Å; S337-E354 PolarHBondContact N-O 2.94Å; S337-E354 PolarHBondContact O-N 3.17Å
338	H	94.9	Very high	94.3	Very high	22 Å²	22	27.4 Å²	27.4	10%	0.102	17%	0.168	C	C	.	.	S	Bend	trans	54.4	20.9	-178.4	-51.6	127.1	0	0	0	113.7	G353 E354 H390 E539 G591	H338-G353 WeakPolarHBondContact O-CA 3.43Å; H338-E354 IonicContact CE1-OE1 2.69Å; H338-E354 IonicContact CG-OE1 2.76Å; H338-E354 VanDerWaalsContact ND1-CD 3.33Å; H338-E354 IonicContact ND1-OE1 3.69Å; H338-E354 PolarHBondContact ND1-OE1 3.02Å; H338-E354 IonicContact ND1-OE2 2.8Å; H338-H390 AromaticContact CD2-CE1 3.35Å; H338-H390 PolarHBondContact CD2-CE1 3.25Å; H338-H390 AromaticContact CD2-ND1 3.71Å; H338-H390 AromaticContact CE1-CE1 3.69Å; H338-H390 AromaticContact CG-CE1 3.32Å; H338-H390 AromaticContact CG-ND1 3.73Å; H338-H390 AromaticContact ND1-CE1 3.53Å; H338-H390 AromaticContact ND1-NE2 3.98Å; H338-H390 AromaticContact NE2-CE1 3.61Å; H338-H390 PolarHBondContact O-N 3.5Å; H338-E539 IonicContact NE2-OE2 2.84Å; H338-E539 PolarHBondContact NE2-OE2 3.17Å; H338-G591 VanDerWaalsContact CD2-CA 3.46Å; H338-G591 WeakPolarHBondContact CD2-CA 3.39Å; H338-G591 PolarHBondContact N-O 3.21Å
339	H	96.9	Very high	94.7	Very high	9 Å²	9	22 Å²	22	4%	0.042	14%	0.143	C	C	.	.			trans	-80.2	163.9	167.8	63.7	-80.5	0	0	0	108	I294 R336 S337 V350 A351 G352	I294-H339 PolarHBondContact O-CE1 3.42Å; I294-H339 VanDerWaalsContact O-CE1 3.25Å; I294-H339 PolarHBondContact O-NE2 2.95Å; R336-H339 HydrophobicContact CG-CB 4.11Å; R336-H339 PolarHBondContact O-ND1 3.49Å; S337-H339 PolarHBondContact O-N 3.1Å; H339-V350 HydrophobicContact CB-CG1 4.36Å; H339-A351 WeakPolarHBondContact CB-O 3.47Å; H339-G352 WeakPolarHBondContact CB-O 3.36Å
340	C	97.4	Very high	94.9	Very high	20 Å²	20	21.5 Å²	21.5	14%	0.135	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.1	175.8	-61.1	0	0	0	0	110	A351 F391 L393	C340-A351 PolarHBondContact N-O 2.99Å; C340-A351 VanDerWaalsContact N-O 3.17Å; C340-A351 PolarHBondContact O-N 3.13Å; C340-F391 HydrophobicContact CB-CE1 4.23Å; C340-F391 HydrophobicContact CB-CE2 4.06Å; C340-F391 HydrophobicContact CB-CZ 3.83Å; C340-F391 PolarHBondContact SG-O 3.31Å; C340-L393 HydrophobicContact CB-CB 3.35Å; C340-L393 HydrophobicContact CB-CD2 4.37Å; C340-L393 HydrophobicContact CB-CG 4.5Å
341	V	97.6	Very high	95.1	Very high	26 Å²	26	20.4 Å²	20.4	16%	0.158	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.5	173.2	-67.4	0	0	0	0	111.4	I294 L348 F349 V350 A593 C595	I294-V341 HydrophobicContact CG2-CG1 3.61Å; V341-L348 HydrophobicContact CB-CD1 3.77Å; V341-L348 HydrophobicContact CG1-CD1 3.84Å; V341-F349 WeakPolarHBondContact CA-O 3.41Å; V341-V350 HydrophobicContact CG1-CG2 3.95Å; V341-A593 HydrophobicContact CB-CB 4.13Å; V341-A593 HydrophobicContact CG1-CB 3.52Å; V341-A593 HydrophobicContact CG2-CB 3.61Å; V341-C595 HydrophobicContact CG2-CB 4.32Å
342	A	97.6	Very high	95.3	Very high	9 Å²	9	17.6 Å²	17.6	7%	0.074	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.7	168.9	0	0	0	0	0	108.9	F349 L393 A395 L400	A342-F349 PolarHBondContact N-O 3.05Å; A342-F349 VanDerWaalsContact N-O 3.1Å; A342-F349 PolarHBondContact O-N 3.01Å; A342-L393 HydrophobicContact CB-CD2 3.76Å; A342-L393 HydrophobicContact CB-CG 3.89Å; A342-A395 HydrophobicContact CB-CB 4.2Å; A342-L400 HydrophobicContact CB-CD2 3.9Å
343	V	96.3	Very high	95.4	Very high	50 Å²	50	17.5 Å²	17.5	30%	0.303	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.5	176.4	174.9	0	0	0	0	108.6	F347 A395 C595 L597	V343-F347 WeakPolarHBondContact CA-O 3.39Å; V343-A395 VanDerWaalsContact O-CB 3.27Å; V343-A395 WeakPolarHBondContact O-CB 3.29Å; V343-C595 HydrophobicContact CG2-CB 3.85Å; V343-L597 HydrophobicContact CB-CD2 4.16Å; V343-L597 HydrophobicContact CG1-CD2 3.4Å; V343-L597 VanDerWaalsContact CG1-CD2 3.4Å; V343-L597 HydrophobicContact CG1-CG 4.48Å; V343-L597 HydrophobicContact CG2-CD1 4.45Å; V343-L597 HydrophobicContact CG2-CD2 3.66Å; V343-L597 HydrophobicContact CG2-CG 3.95Å
344	M	95.3	Very high	95.4	Very high	12 Å²	12	15.1 Å²	15.1	6%	0.059	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.7	174.5	177.5	-169.8	-71.5	0	0	109	P275 V276 D346 F347 F349 A395 Y399 L400 P421	P275-M344 HydrophobicContact CB-CB 4.46Å; P275-M344 HydrophobicContact CB-CG 3.96Å; P275-M344 HydrophobicContact CB-SD 3.96Å; V276-M344 HydrophobicContact CG1-SD 3.8Å; M344-D346 VanDerWaalsContact C-N 3.26Å; M344-D346 PolarHBondContact O-N 2.75Å; M344-F347 PolarHBondContact N-O 3.21Å; M344-F347 WeakPolarHBondContact O-CB 3.39Å; M344-F347 PolarHBondContact O-N 3.19Å; M344-F349 HydrophobicContact CB-CD2 4.35Å; M344-F349 HydrophobicContact CB-CE2 3.94Å; M344-A395 HydrophobicContact CB-CB 4.21Å; M344-A395 HydrophobicContact CE-CB 4.14Å; M344-Y399 VanDerWaalsContact CE-N 3.35Å; M344-Y399 VanDerWaalsContact CE-O 3.27Å; M344-Y399 WeakPolarHBondContact CE-O 3.45Å; M344-L400 HydrophobicContact CE-CD2 3.64Å; M344-L400 HydrophobicContact CE-CG 4.01Å; M344-P421 HydrophobicContact SD-CG 3.84Å
345	G	92.4	Very high	95.5	Very high	23 Å²	23	13.2 Å²	13.2	24%	0.237	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	38.4	179.3	0	0	0	0	0	113.9	P275 Q278 F347 R374	P275-G345 VanDerWaalsContact O-CA 3.32Å; P275-G345 WeakPolarHBondContact O-CA 3.31Å; Q278-G345 VanDerWaalsContact CG-CA 3.49Å; Q278-G345 WeakPolarHBondContact CG-O 3.39Å; G345-F347 WeakPolarHBondContact O-CD2 3.06Å; G345-F347 VanDerWaalsContact O-CE2 3.3Å; G345-F347 WeakPolarHBondContact O-CE2 3.13Å; G345-F347 PolarHBondContact O-N 2.85Å; G345-R374 PolarHBondContact O-NH2 2.86Å
346	D	92.1	Very high	95.3	Very high	35 Å²	35	16.6 Å²	16.6	19%	0.187	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	21	-175.5	-50.5	-34.4	0	0	0	114.6	M344 P373 P598	M344-D346 VanDerWaalsContact C-N 3.26Å; M344-D346 PolarHBondContact O-N 2.75Å; D346-P373 WeakPolarHBondContact O-CD 3.32Å; D346-P373 WeakPolarHBondContact O-CG 3.48Å; D346-P598 HydrophobicContact CB-CG 4.12Å
347	F	95	Very high	94.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.6	168.6	-62.6	-91	0	0	0	111.1	Q274 P275 V343 M344 G345 F349 R370 D372 R374	Q274-F347 HydrophobicContact CB-CE2 4.03Å; Q274-F347 HydrophobicContact CB-CZ 3.82Å; P275-F347 HydrophobicContact CB-CD2 3.87Å; P275-F347 HydrophobicContact CB-CE2 4.43Å; P275-F347 HydrophobicContact CG-CD2 3.91Å; P275-F347 HydrophobicContact CG-CE2 4.37Å; P275-F347 HydrophobicContact CG-CG 4.36Å; V343-F347 WeakPolarHBondContact CA-O 3.39Å; M344-F347 PolarHBondContact N-O 3.21Å; M344-F347 WeakPolarHBondContact O-CB 3.39Å; M344-F347 PolarHBondContact O-N 3.19Å; G345-F347 WeakPolarHBondContact O-CD2 3.06Å; G345-F347 VanDerWaalsContact O-CE2 3.3Å; G345-F347 WeakPolarHBondContact O-CE2 3.13Å; G345-F347 PolarHBondContact O-N 2.85Å; F347-F349 HydrophobicContact CB-CE2 4.04Å; F347-R370 HydrophobicContact CB-CG 3.78Å; F347-R370 HydrophobicContact CD1-CG 4.29Å; F347-R370 VanDerWaalsContact CD1-CZ 3.48Å; F347-R370 HydrophobicContact CG-CG 4.36Å; F347-D372 HydrophobicContact CD1-CB 3.95Å; F347-D372 HydrophobicContact CE1-CB 3.77Å; F347-D372 WeakPolarHBondContact CE1-OD2 3.35Å; F347-R374 VanDerWaalsContact CE2-NH2 3.3Å; F347-R374 VanDerWaalsContact CZ-CZ 3.45Å
348	L	97.1	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.1	173.5	176.7	56.1	0	0	0	110	I294 L307 V341 V350 R370 Y371 W378 C595 L597	I294-L348 HydrophobicContact CD1-CD2 4.02Å; L307-L348 HydrophobicContact CD1-CD2 4.15Å; V341-L348 HydrophobicContact CB-CD1 3.77Å; V341-L348 HydrophobicContact CG1-CD1 3.84Å; L348-V350 HydrophobicContact CG-CG2 4.43Å; L348-R370 CarbonylContact O-C 3.42Å; L348-R370 WeakPolarHBondContact O-CA 3.02Å; L348-R370 WeakPolarHBondContact O-CG 3.44Å; L348-Y371 HydrophobicContact CB-CD1 4.34Å; L348-Y371 PolarHBondContact N-O 3.33Å; L348-Y371 VanDerWaalsContact N-O 3.16Å; L348-Y371 PolarHBondContact O-N 2.93Å; L348-W378 HydrophobicContact CD2-CH2 4.22Å; L348-C595 VanDerWaalsContact CD1-SG 3.59Å; L348-L597 HydrophobicContact CB-CD1 3.69Å; L348-L597 HydrophobicContact CD1-CD1 4.39Å; L348-L597 HydrophobicContact CD2-CD1 4.28Å; L348-L597 HydrophobicContact CG-CD1 4.34Å
349	F	98.1	Very high	92.9	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137	169.8	-71.2	-96.2	0	0	0	110.3	P275 V341 A342 M344 F347 R370 I381 L400 Y419	P275-F349 HydrophobicContact CB-CE2 4.22Å; P275-F349 HydrophobicContact CB-CZ 4.2Å; P275-F349 HydrophobicContact CG-CE2 4.07Å; P275-F349 HydrophobicContact CG-CZ 3.66Å; V341-F349 WeakPolarHBondContact CA-O 3.41Å; A342-F349 PolarHBondContact N-O 3.05Å; A342-F349 VanDerWaalsContact N-O 3.1Å; A342-F349 PolarHBondContact O-N 3.01Å; M344-F349 HydrophobicContact CB-CD2 4.35Å; M344-F349 HydrophobicContact CB-CE2 3.94Å; F347-F349 HydrophobicContact CB-CE2 4.04Å; F349-R370 HydrophobicContact CD1-CB 3.93Å; F349-R370 HydrophobicContact CD1-CG 4.07Å; F349-R370 HydrophobicContact CD2-CG 4.27Å; F349-R370 HydrophobicContact CE1-CB 3.89Å; F349-R370 HydrophobicContact CE1-CG 3.86Å; F349-R370 HydrophobicContact CE2-CG 4.03Å; F349-R370 HydrophobicContact CG-CG 4.31Å; F349-R370 HydrophobicContact CZ-CB 4.4Å; F349-R370 HydrophobicContact CZ-CG 3.85Å; F349-I381 HydrophobicContact CD1-CD1 3.89Å; F349-I381 HydrophobicContact CE1-CD1 4.1Å; F349-L400 HydrophobicContact CB-CD1 3.83Å; F349-L400 HydrophobicContact CD1-CD1 3.45Å; F349-L400 VanDerWaalsContact CD1-CD1 3.45Å; F349-L400 HydrophobicContact CD2-CD1 4.12Å; F349-L400 HydrophobicContact CD2-CD2 4.46Å; F349-L400 HydrophobicContact CE1-CD1 3.9Å; F349-L400 HydrophobicContact CG-CD1 3.53Å; F349-L400 HydrophobicContact CZ-CD1 4.39Å; F349-Y419 HydrophobicContact CE1-CE1 4.02Å
350	V	98.1	Very high	91.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.5	173.2	171.4	0	0	0	0	107.8	I294 M332 H339 V341 L348 A368 C369 W378	I294-V350 HydrophobicContact CD1-CG2 3.74Å; M332-V350 HydrophobicContact SD-CB 4.48Å; M332-V350 HydrophobicContact SD-CG1 3.9Å; M332-V350 HydrophobicContact SD-CG2 4.13Å; H339-V350 HydrophobicContact CB-CG1 4.36Å; V341-V350 HydrophobicContact CG1-CG2 3.95Å; L348-V350 HydrophobicContact CG-CG2 4.43Å; V350-A368 CarbonylContact O-C 3.42Å; V350-A368 WeakPolarHBondContact O-CA 3.41Å; V350-A368 WeakPolarHBondContact O-CB 3.44Å; V350-C369 PolarHBondContact N-O 2.77Å; V350-C369 PolarHBondContact O-N 3.46Å; V350-W378 HydrophobicContact CB-CZ3 4.29Å; V350-W378 HydrophobicContact CG2-CH2 3.75Å; V350-W378 HydrophobicContact CG2-CZ3 3.82Å
351	A	98.1	Very high	91.1	Very high	2 Å²	2	40 Å²	40	2%	0.017	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.9	179.1	0	0	0	0	0	112.3	H339 C340 A368 M384 F391 L393	H339-A351 WeakPolarHBondContact CB-O 3.47Å; C340-A351 PolarHBondContact N-O 2.99Å; C340-A351 VanDerWaalsContact N-O 3.17Å; C340-A351 PolarHBondContact O-N 3.13Å; A351-A368 HydrophobicContact CB-CB 3.87Å; A351-M384 HydrophobicContact CB-CE 4.26Å; A351-M384 HydrophobicContact CB-SD 4.39Å; A351-F391 HydrophobicContact CB-CZ 4.09Å; A351-F391 WeakPolarHBondContact O-CE1 3.36Å; A351-F391 VanDerWaalsContact O-CZ 3.22Å; A351-F391 WeakPolarHBondContact O-CZ 3.26Å; A351-L393 HydrophobicContact CB-CD1 4.36Å; A351-L393 HydrophobicContact CB-CD2 3.96Å
352	G	97.4	Very high	90.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.251	C	S	.	.			trans	59.8	-143.5	171.9	0	0	0	0	0	113.4	R336 H339 V365 T367 R388	R336-G352 WeakPolarHBondContact CD-O 3.42Å; R336-G352 PolarHBondContact NH1-O 3.31Å; H339-G352 WeakPolarHBondContact CB-O 3.36Å; G352-V365 WeakPolarHBondContact CA-O 3.45Å; G352-T367 PolarHBondContact N-O 2.77Å; G352-R388 CarbonylContact C-O 3.53Å; G352-R388 WeakPolarHBondContact CA-O 3.41Å
353	G	96	Very high	90.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.258	C	S	.	.			trans	87.6	-165.6	-174.6	0	0	0	0	0	112.9	S337 H338 A364 V365 R388	S337-G353 CarbonylContact O-C 3.43Å; S337-G353 WeakPolarHBondContact O-CA 3.46Å; H338-G353 WeakPolarHBondContact O-CA 3.43Å; G353-A364 CarbonylContact O-C 3.57Å; G353-A364 VanDerWaalsContact O-CA 3.31Å; G353-A364 WeakPolarHBondContact O-CA 3.39Å; G353-V365 WeakPolarHBondContact O-CG2 3.3Å; G353-V365 PolarHBondContact O-N 2.81Å; G353-R388 PolarHBondContact N-O 3.43Å
354	E	93.5	Very high	90.1	Very high	25 Å²	25	40.8 Å²	40.8	12%	0.117	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.8	-178.1	-79.3	174.6	-144.6	0	0	111.2	K303 R336 S337 H338 T362 C363 E389 H390	K303-E354 IonicContact NZ-OE2 3.37Å; K303-E354 PolarHBondContact NZ-OE2 3.44Å; R336-E354 VanDerWaalsContact CA-O 3.29Å; R336-E354 WeakPolarHBondContact CA-O 3.49Å; R336-E354 WeakPolarHBondContact CB-O 3.25Å; S337-E354 PolarHBondContact N-O 2.94Å; S337-E354 PolarHBondContact O-N 3.17Å; H338-E354 IonicContact CE1-OE1 2.69Å; H338-E354 IonicContact CG-OE1 2.76Å; H338-E354 VanDerWaalsContact ND1-CD 3.33Å; H338-E354 IonicContact ND1-OE1 3.69Å; H338-E354 PolarHBondContact ND1-OE1 3.02Å; H338-E354 IonicContact ND1-OE2 2.8Å; E354-T362 HydrophobicContact CB-CG2 3.59Å; E354-T362 HydrophobicContact CG-CG2 3.85Å; E354-T362 WeakPolarHBondContact OE2-CG2 3.34Å; E354-C363 WeakPolarHBondContact CA-O 3.31Å; E354-E389 HydrophobicContact CG-CB 4.17Å; E354-E389 WeakPolarHBondContact CG-OE2 3.25Å; E354-H390 IonicContact OE1-NE2 2.74Å
355	V	92.2	Very high	90.2	Very high	19 Å²	19	41 Å²	41	12%	0.115	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145	172.6	177.5	0	0	0	0	109.2	V334 R336 T362 C363 V365	V334-V355 HydrophobicContact CG1-CB 4.49Å; V334-V355 HydrophobicContact CG1-CG1 3.59Å; V334-V355 HydrophobicContact CG1-CG2 3.99Å; R336-V355 HydrophobicContact CB-CG2 4.06Å; V355-T362 WeakPolarHBondContact O-CA 3.21Å; V355-C363 PolarHBondContact N-O 3.02Å; V355-C363 VanDerWaalsContact N-O 3.08Å; V355-C363 PolarHBondContact O-N 3.01Å; V355-C363 VanDerWaalsContact O-N 3.1Å; V355-V365 HydrophobicContact CB-CG1 3.77Å; V355-V365 HydrophobicContact CG2-CB 4.43Å; V355-V365 HydrophobicContact CG2-CG1 3.74Å; V355-V365 HydrophobicContact CG2-CG2 3.82Å
356	E	86.8	Confident	90.4	Very high	87 Å²	87	45.9 Å²	45.9	41%	0.407	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.1	172.6	-172.8	173.3	179.3	0	0	110.1	C302	C302-E356 WeakPolarHBondContact CB-OE2 3.29Å; C302-E356 PolarHBondContact SG-OE2 3.1Å; C302-E356 VanDerWaalsContact SG-OE2 3.37Å
357	H	78.3	Confident	90.7	Very high	95 Å²	95	47.2 Å²	47.2	44%	0.44	27%	0.266	S	S	.	.			trans	-79.6	159.4	174	-82.3	-101.5	0	0	0	111.4	S359 G360 R361 C363	H357-S359 PolarHBondContact O-N 3Å; H357-G360 PolarHBondContact O-N 3.39Å; H357-R361 WeakPolarHBondContact CB-O 3.41Å; H357-R361 PolarHBondContact N-O 3.16Å; H357-C363 PolarHBondContact CD2-SG 2.93Å; H357-C363 PolarHBondContact NE2-SG 2.92Å
358	A	76.4	Confident	90.8	Very high	121 Å²	121	47.5 Å²	47.5	100%	1	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-21	174.5	0	0	0	0	0	114	G360	A358-G360 PolarHBondContact O-N 3.19Å
359	S	78	Confident	90.8	Very high	91 Å²	91	47.7 Å²	47.7	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	4.6	173.6	71.1	0	0	0	0	114.3	H357 R361	H357-S359 PolarHBondContact O-N 3Å; S359-R361 PolarHBondContact O-N 3.34Å
360	G	75.9	Confident	90.7	Very high	50 Å²	50	47.9 Å²	47.9	52%	0.515	27%	0.27	S	S	.	.	S	Bend	trans	70.7	9.8	-173.8	0	0	0	0	0	114.6	H357 A358	H357-G360 PolarHBondContact O-N 3.39Å; A358-G360 PolarHBondContact O-N 3.19Å
361	R	80.9	Confident	90.7	Very high	192 Å²	192	47.9 Å²	47.9	73%	0.725	27%	0.27	S	S	*	.			trans	-94.9	133.7	177.5	-75.5	-176.7	163.6	-174.3	-3.8	109.9	H357 S359	H357-R361 WeakPolarHBondContact CB-O 3.41Å; H357-R361 PolarHBondContact N-O 3.16Å; S359-R361 PolarHBondContact O-N 3.34Å
362	T	85.5	Confident	90.4	Very high	71 Å²	71	48.7 Å²	48.7	44%	0.436	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.5	171.1	-48.9	0	0	0	0	110.1	E354 V355	E354-T362 HydrophobicContact CB-CG2 3.59Å; E354-T362 HydrophobicContact CG-CG2 3.85Å; E354-T362 WeakPolarHBondContact OE2-CG2 3.34Å; V355-T362 WeakPolarHBondContact O-CA 3.21Å
363	C	90.7	Very high	90.1	Very high	31 Å²	31	48.7 Å²	48.7	21%	0.209	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.8	171.7	74.1	0	0	0	0	112.3	E354 V355 H357 E408	E354-C363 WeakPolarHBondContact CA-O 3.31Å; V355-C363 PolarHBondContact N-O 3.02Å; V355-C363 VanDerWaalsContact N-O 3.08Å; V355-C363 PolarHBondContact O-N 3.01Å; V355-C363 VanDerWaalsContact O-N 3.1Å; H357-C363 PolarHBondContact CD2-SG 2.93Å; H357-C363 PolarHBondContact NE2-SG 2.92Å; C363-E408 HydrophobicContact CB-CB 4.42Å
364	A	95.3	Very high	89.6	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	141	169.5	0	0	0	0	0	110	G353 C387 E389	G353-A364 CarbonylContact O-C 3.57Å; G353-A364 VanDerWaalsContact O-CA 3.31Å; G353-A364 WeakPolarHBondContact O-CA 3.39Å; A364-C387 HydrophobicContact CB-CB 4.17Å; A364-C387 WeakPolarHBondContact O-CB 3.29Å; A364-E389 HydrophobicContact CB-CB 4.09Å; A364-E389 HydrophobicContact CB-CG 3.97Å
365	V	96.3	Very high	89.4	Confident	17 Å²	17	52.7 Å²	52.7	10%	0.103	30%	0.299	C	S	.	.			trans	-118.2	160.7	177.2	-61.5	0	0	0	0	111.9	G352 G353 V355 C387 R388	G352-V365 WeakPolarHBondContact CA-O 3.45Å; G353-V365 WeakPolarHBondContact O-CG2 3.3Å; G353-V365 PolarHBondContact O-N 2.81Å; V355-V365 HydrophobicContact CB-CG1 3.77Å; V355-V365 HydrophobicContact CG2-CB 4.43Å; V355-V365 HydrophobicContact CG2-CG1 3.74Å; V355-V365 HydrophobicContact CG2-CG2 3.82Å; V365-C387 WeakPolarHBondContact O-CA 3.37Å; V365-R388 PolarHBondContact O-N 3.33Å
366	R	97.1	Very high	89.4	Confident	125 Å²	125	54.2 Å²	54.2	47%	0.472	31%	0.307	S	S	.	.			trans	-102.9	-5.5	173.9	63.7	-178.6	-171.8	161.9	-1.5	113.9	P383 M384 N386	R366-P383 HydrophobicContact CB-CB 4.47Å; R366-P383 HydrophobicContact CG-CB 3.91Å; R366-P383 CarbonylContact O-C 3.56Å; R366-P383 WeakPolarHBondContact O-CA 3.18Å; R366-M384 HydrophobicContact CB-CB 4.2Å; R366-M384 WeakPolarHBondContact CB-O 3.37Å; R366-M384 VanDerWaalsContact CD-O 3.32Å; R366-M384 WeakPolarHBondContact CD-O 3.45Å; R366-M384 PolarHBondContact O-N 3.25Å; R366-N386 WeakPolarHBondContact CB-O 3Å
367	T	97.3	Very high	89.7	Confident	63 Å²	63	52.7 Å²	52.7	39%	0.387	31%	0.305	S	S	.	.			trans	-69	146.5	-176	59.3	0	0	0	0	111	R336 G352	R336-T367 PolarHBondContact NH1-O 2.8Å; R336-T367 VanDerWaalsContact NH1-O 3.17Å; R336-T367 PolarHBondContact NH1-OG1 3.26Å; R336-T367 PolarHBondContact NH2-OG1 3.3Å; G352-T367 PolarHBondContact N-O 2.77Å
368	A	97.6	Very high	90.5	Very high	5 Å²	5	50.2 Å²	50.2	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.9	176.2	0	0	0	0	0	109.9	V350 A351 I381	V350-A368 CarbonylContact O-C 3.42Å; V350-A368 WeakPolarHBondContact O-CA 3.41Å; V350-A368 WeakPolarHBondContact O-CB 3.44Å; A351-A368 HydrophobicContact CB-CB 3.87Å; A368-I381 HydrophobicContact CB-CD1 3.75Å; A368-I381 HydrophobicContact CB-CG1 3.62Å; A368-I381 WeakPolarHBondContact O-CG1 3.31Å; A368-I381 PolarHBondContact O-N 2.66Å; A368-I381 VanDerWaalsContact O-N 3.11Å
369	C	97.3	Very high	91.5	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.027	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160.8	176.8	55.1	0	0	0	0	110	V350 W378 A379	V350-C369 PolarHBondContact N-O 2.77Å; V350-C369 PolarHBondContact O-N 3.46Å; C369-W378 HydrophobicContact CB-CE3 3.98Å; C369-W378 HydrophobicContact CB-CZ3 4.41Å; C369-W378 VanDerWaalsContact SG-CE3 3.53Å; C369-W378 VanDerWaalsContact SG-CZ3 3.55Å; C369-A379 CarbonylContact C-O 3.52Å; C369-A379 VanDerWaalsContact CA-O 3.3Å; C369-A379 WeakPolarHBondContact CA-O 3.33Å; C369-A379 WeakPolarHBondContact CB-O 3.45Å
370	R	96.7	Very high	92.4	Very high	6 Å²	6	48 Å²	48	2%	0.023	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.1	175.9	-176.5	-175.6	71.9	137.7	-1.7	109	I271 P275 F347 L348 F349 W378 A379 I381	I271-R370 PolarHBondContact O-NH2 3.21Å; P275-R370 VanDerWaalsContact CG-NH1 3.25Å; F347-R370 HydrophobicContact CB-CG 3.78Å; F347-R370 HydrophobicContact CD1-CG 4.29Å; F347-R370 VanDerWaalsContact CD1-CZ 3.48Å; F347-R370 HydrophobicContact CG-CG 4.36Å; L348-R370 CarbonylContact O-C 3.42Å; L348-R370 WeakPolarHBondContact O-CA 3.02Å; L348-R370 WeakPolarHBondContact O-CG 3.44Å; F349-R370 HydrophobicContact CD1-CB 3.93Å; F349-R370 HydrophobicContact CD1-CG 4.07Å; F349-R370 HydrophobicContact CD2-CG 4.27Å; F349-R370 HydrophobicContact CE1-CB 3.89Å; F349-R370 HydrophobicContact CE1-CG 3.86Å; F349-R370 HydrophobicContact CE2-CG 4.03Å; F349-R370 HydrophobicContact CG-CG 4.31Å; F349-R370 HydrophobicContact CZ-CB 4.4Å; F349-R370 HydrophobicContact CZ-CG 3.85Å; R370-W378 CarbonylContact O-C 3.51Å; R370-W378 WeakPolarHBondContact O-CA 3.49Å; R370-A379 PolarHBondContact N-O 2.82Å; R370-A379 PolarHBondContact O-N 3.06Å; R370-I381 HydrophobicContact CB-CG2 4.24Å
371	Y	96.6	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.8	171.3	172	-101.1	0	0	0	110.4	Y292 L307 L329 A330 L348 P373 N376 S377 W378	Y292-Y371 HydrophobicContact CE1-CE1 4.31Å; L307-Y371 HydrophobicContact CD2-CD1 3.68Å; L307-Y371 HydrophobicContact CD2-CD2 4Å; L307-Y371 HydrophobicContact CD2-CE1 3.52Å; L307-Y371 HydrophobicContact CD2-CE2 3.84Å; L307-Y371 HydrophobicContact CD2-CG 3.92Å; L329-Y371 WeakPolarHBondContact CD1-OH 3.36Å; A330-Y371 HydrophobicContact CB-CE2 4.39Å; L348-Y371 HydrophobicContact CB-CD1 4.34Å; L348-Y371 PolarHBondContact N-O 3.33Å; L348-Y371 VanDerWaalsContact N-O 3.16Å; L348-Y371 PolarHBondContact O-N 2.93Å; Y371-P373 HydrophobicContact CE1-CB 3.96Å; Y371-N376 WeakPolarHBondContact CE2-OD1 3.47Å; Y371-N376 PolarHBondContact OH-OD1 3.23Å; Y371-S377 WeakPolarHBondContact CA-O 3.45Å; Y371-S377 WeakPolarHBondContact CD2-O 3.33Å; Y371-W378 VanDerWaalsContact CB-CH2 3.45Å; Y371-W378 AromaticContact CD2-CD1 3.88Å; Y371-W378 HydrophobicContact CD2-CD2 4.01Å; Y371-W378 AromaticContact CD2-CE2 3.56Å; Y371-W378 HydrophobicContact CD2-CG 4.19Å; Y371-W378 AromaticContact CD2-CZ2 3.94Å; Y371-W378 HydrophobicContact CD2-CZ2 3.94Å; Y371-W378 AromaticContact CD2-NE1 3.48Å; Y371-W378 HydrophobicContact CG-CD2 4.36Å; Y371-W378 AromaticContact CG-CE2 3.97Å; Y371-W378 HydrophobicContact CG-CH2 4.27Å; Y371-W378 AromaticContact CG-CZ2 3.94Å; Y371-W378 HydrophobicContact CG-CZ2 3.94Å
372	D	93.8	Very high	94.2	Very high	20 Å²	20	38.1 Å²	38.1	11%	0.107	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.5	172.6	-171.9	-10.1	0	0	0	109.7	F347 R374 N376 S377	F347-D372 HydrophobicContact CD1-CB 3.95Å; F347-D372 HydrophobicContact CE1-CB 3.77Å; F347-D372 WeakPolarHBondContact CE1-OD2 3.35Å; D372-R374 PolarHBondContact O-N 2.82Å; D372-R374 WeakPolarHBondContact OD1-CB 3.47Å; D372-R374 WeakPolarHBondContact OD1-CD 3.32Å; D372-R374 WeakPolarHBondContact OD1-CG 3.38Å; D372-R374 PolarHBondContact OD1-N 2.67Å; D372-R374 IonicContact OD1-NE 3.81Å; D372-R374 PolarHBondContact OD1-NE 2.87Å; D372-N376 WeakPolarHBondContact O-CA 3.27Å; D372-N376 PolarHBondContact O-N 2.99Å; D372-S377 PolarHBondContact N-O 3.12Å; D372-S377 PolarHBondContact O-N 2.91Å
373	P	90.4	Very high	94.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.5	176.4	29.2	-34.7	0	0	0	113.5	D346 Y371 P600 T603	D346-P373 WeakPolarHBondContact O-CD 3.32Å; D346-P373 WeakPolarHBondContact O-CG 3.48Å; Y371-P373 HydrophobicContact CE1-CB 3.96Å; P373-P600 HydrophobicContact CB-CG 4.29Å; P373-P600 WeakPolarHBondContact O-CG 3.21Å; P373-T603 WeakPolarHBondContact O-CG2 3.26Å; P373-T603 PolarHBondContact O-OG1 3.19Å
374	R	86.1	Confident	95.2	Very high	39 Å²	39	36.1 Å²	36.1	15%	0.147	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-46	-179.8	-59	149.7	-147.8	-137.1	-5.2	112	L235 Y267 T282 P284 G345 F347 D372 T603	L235-R374 HydrophobicContact CD2-CG 3.97Å; Y267-R374 PolarHBondContact OH-NH1 3.33Å; T282-R374 PolarHBondContact O-NH1 3.44Å; P284-R374 HydrophobicContact CB-CG 4.5Å; P284-R374 HydrophobicContact CG-CG 3.61Å; G345-R374 PolarHBondContact O-NH2 2.86Å; F347-R374 VanDerWaalsContact CE2-NH2 3.3Å; F347-R374 VanDerWaalsContact CZ-CZ 3.45Å; D372-R374 PolarHBondContact O-N 2.82Å; D372-R374 WeakPolarHBondContact OD1-CB 3.47Å; D372-R374 WeakPolarHBondContact OD1-CD 3.32Å; D372-R374 WeakPolarHBondContact OD1-CG 3.38Å; D372-R374 PolarHBondContact OD1-N 2.67Å; D372-R374 IonicContact OD1-NE 3.81Å; D372-R374 PolarHBondContact OD1-NE 2.87Å; R374-T603 WeakPolarHBondContact O-CG2 3.35Å
375	S	87.7	Confident	95.3	Very high	69 Å²	69	40.9 Å²	40.9	48%	0.483	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-0.6	-178.3	53.1	0	0	0	0	112.7	S377	S375-S377 VanDerWaalsContact C-N 3.27Å; S375-S377 PolarHBondContact O-N 3.42Å; S375-S377 PolarHBondContact OG-OG 2.82Å
376	N	92.1	Very high	95.4	Very high	52 Å²	52	42.2 Å²	42.2	28%	0.278	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	47.9	-173.1	-172.3	26.3	0	0	0	111.8	L329 A330 Y371 D372 T603	L329-N376 WeakPolarHBondContact CB-OD1 3.32Å; A330-N376 WeakPolarHBondContact CB-O 3.36Å; A330-N376 WeakPolarHBondContact CB-OD1 3.18Å; A330-N376 PolarHBondContact N-OD1 3.2Å; Y371-N376 WeakPolarHBondContact CE2-OD1 3.47Å; Y371-N376 PolarHBondContact OH-OD1 3.23Å; D372-N376 WeakPolarHBondContact O-CA 3.27Å; D372-N376 PolarHBondContact O-N 2.99Å; N376-T603 HydrophobicContact CB-CG2 3.73Å
377	S	93.3	Very high	95.4	Very high	54 Å²	54	37 Å²	37	38%	0.378	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.5	-173.2	69.3	0	0	0	0	112.9	Y371 D372 S375	Y371-S377 WeakPolarHBondContact CA-O 3.45Å; Y371-S377 WeakPolarHBondContact CD2-O 3.33Å; D372-S377 PolarHBondContact N-O 3.12Å; D372-S377 PolarHBondContact O-N 2.91Å; S375-S377 VanDerWaalsContact C-N 3.27Å; S375-S377 PolarHBondContact O-N 3.42Å; S375-S377 PolarHBondContact OG-OG 2.82Å
378	W	96.4	Very high	95.4	Very high	43 Å²	43	34 Å²	34	16%	0.163	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141	178.9	-71.3	89.6	0	0	0	110.7	I294 L307 A330 P331 M332 P333 L348 V350 C369 R370 Y371	I294-W378 HydrophobicContact CD1-CH2 3.27Å; I294-W378 HydrophobicContact CD1-CZ2 3.51Å; I294-W378 HydrophobicContact CD1-CZ3 4.47Å; L307-W378 HydrophobicContact CB-CZ2 4.48Å; L307-W378 HydrophobicContact CD2-CZ2 4.07Å; A330-W378 PolarHBondContact O-NE1 3Å; P331-W378 VanDerWaalsContact O-CD1 3.26Å; P331-W378 PolarHBondContact O-NE1 2.82Å; M332-W378 HydrophobicContact CG-CD2 4.49Å; M332-W378 HydrophobicContact CG-CH2 3.67Å; M332-W378 HydrophobicContact CG-CZ2 3.51Å; M332-W378 HydrophobicContact CG-CZ3 4.18Å; M332-W378 HydrophobicContact SD-CH2 4.41Å; P333-W378 HydrophobicContact CG-CB 4.19Å; L348-W378 HydrophobicContact CD2-CH2 4.22Å; V350-W378 HydrophobicContact CB-CZ3 4.29Å; V350-W378 HydrophobicContact CG2-CH2 3.75Å; V350-W378 HydrophobicContact CG2-CZ3 3.82Å; C369-W378 HydrophobicContact CB-CE3 3.98Å; C369-W378 HydrophobicContact CB-CZ3 4.41Å; C369-W378 VanDerWaalsContact SG-CE3 3.53Å; C369-W378 VanDerWaalsContact SG-CZ3 3.55Å; R370-W378 CarbonylContact O-C 3.51Å; R370-W378 WeakPolarHBondContact O-CA 3.49Å; Y371-W378 VanDerWaalsContact CB-CH2 3.45Å; Y371-W378 AromaticContact CD2-CD1 3.88Å; Y371-W378 HydrophobicContact CD2-CD2 4.01Å; Y371-W378 AromaticContact CD2-CE2 3.56Å; Y371-W378 HydrophobicContact CD2-CG 4.19Å; Y371-W378 AromaticContact CD2-CZ2 3.94Å; Y371-W378 HydrophobicContact CD2-CZ2 3.94Å; Y371-W378 AromaticContact CD2-NE1 3.48Å; Y371-W378 HydrophobicContact CG-CD2 4.36Å; Y371-W378 AromaticContact CG-CE2 3.97Å; Y371-W378 HydrophobicContact CG-CH2 4.27Å; Y371-W378 AromaticContact CG-CZ2 3.94Å; Y371-W378 HydrophobicContact CG-CZ2 3.94Å
379	A	96.1	Very high	95.3	Very high	28 Å²	28	34.4 Å²	34.4	23%	0.231	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.8	170.6	0	0	0	0	0	110.1	C369 R370	C369-A379 CarbonylContact C-O 3.52Å; C369-A379 VanDerWaalsContact CA-O 3.3Å; C369-A379 WeakPolarHBondContact CA-O 3.33Å; C369-A379 WeakPolarHBondContact CB-O 3.45Å; R370-A379 PolarHBondContact N-O 2.82Å; R370-A379 PolarHBondContact O-N 3.06Å
380	E	97	Very high	95.3	Very high	139 Å²	139	35.2 Å²	35.2	65%	0.65	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	137.9	170.1	-65.5	-165.9	158.4	0	0	110.3	Y272	Y272-E380 WeakPolarHBondContact CE1-O 3.34Å
381	I	97.6	Very high	95.3	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.062	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	168.6	172	63.1	161.5	0	0	0	109.3	Y272 F349 A368 R370 Y419	Y272-I381 HydrophobicContact CD1-CG2 4.17Å; Y272-I381 HydrophobicContact CE1-CG2 4.47Å; F349-I381 HydrophobicContact CD1-CD1 3.89Å; F349-I381 HydrophobicContact CE1-CD1 4.1Å; A368-I381 HydrophobicContact CB-CD1 3.75Å; A368-I381 HydrophobicContact CB-CG1 3.62Å; A368-I381 WeakPolarHBondContact O-CG1 3.31Å; A368-I381 PolarHBondContact O-N 2.66Å; A368-I381 VanDerWaalsContact O-N 3.11Å; R370-I381 HydrophobicContact CB-CG2 4.24Å; I381-Y419 HydrophobicContact CB-CE2 4.38Å; I381-Y419 HydrophobicContact CD1-CD1 4.37Å; I381-Y419 HydrophobicContact CD1-CD2 4.44Å; I381-Y419 HydrophobicContact CD1-CE1 3.97Å; I381-Y419 HydrophobicContact CD1-CE2 4.04Å
382	A	98.1	Very high	95.4	Very high	21 Å²	21	35.7 Å²	35.7	17%	0.174	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-54.2	137.5	179.6	0	0	0	0	0	110.9	Y419 N424 W426	A382-Y419 HydrophobicContact CB-CE2 4.49Å; A382-N424 WeakPolarHBondContact CB-O 3.46Å; A382-N424 WeakPolarHBondContact CB-OD1 3.36Å; A382-N424 PolarHBondContact N-OD1 2.92Å; A382-W426 PolarHBondContact O-NE1 2.94Å
383	P	98.3	Very high	95.6	Very high	61 Å²	61	35.6 Å²	35.6	40%	0.396	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-68.6	150.1	177.6	28	-33.9	0	0	0	110.7	R366 W426	R366-P383 HydrophobicContact CB-CB 4.47Å; R366-P383 HydrophobicContact CG-CB 3.91Å; R366-P383 CarbonylContact O-C 3.56Å; R366-P383 WeakPolarHBondContact O-CA 3.18Å; P383-W426 VanDerWaalsContact C-CD1 3.44Å
384	M	98.4	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-57.5	159.2	165.7	-66.1	-179.8	-66.5	0	0	110	A351 R366 N386 R388 F391 A402 W426	A351-M384 HydrophobicContact CB-CE 4.26Å; A351-M384 HydrophobicContact CB-SD 4.39Å; R366-M384 HydrophobicContact CB-CB 4.2Å; R366-M384 WeakPolarHBondContact CB-O 3.37Å; R366-M384 VanDerWaalsContact CD-O 3.32Å; R366-M384 WeakPolarHBondContact CD-O 3.45Å; R366-M384 PolarHBondContact O-N 3.25Å; M384-N386 WeakPolarHBondContact CB-O 3.46Å; M384-R388 HydrophobicContact CE-CB 4.09Å; M384-R388 HydrophobicContact CE-CG 4.31Å; M384-R388 HydrophobicContact SD-CG 4.47Å; M384-F391 HydrophobicContact CE-CZ 4.28Å; M384-F391 HydrophobicContact SD-CE2 4.45Å; M384-A402 HydrophobicContact SD-CB 3.66Å; M384-W426 HydrophobicContact CB-CD2 4.48Å; M384-W426 HydrophobicContact CG-CD2 3.74Å; M384-W426 HydrophobicContact CG-CE3 4.04Å; M384-W426 HydrophobicContact CG-CG 4.32Å; M384-W426 HydrophobicContact CG-CH2 3.99Å; M384-W426 HydrophobicContact CG-CZ2 3.69Å; M384-W426 HydrophobicContact CG-CZ3 4.16Å; M384-W426 HydrophobicContact SD-CH2 4.22Å; M384-W426 HydrophobicContact SD-CZ2 4.38Å; M384-W426 HydrophobicContact SD-CZ3 4.47Å
385	K	97.8	Very high	96.5	Very high	101 Å²	101	35 Å²	35	44%	0.439	20%	0.198	S	C	.	.	S	Bend	trans	-71.5	-42	174.5	-62.3	-172.5	172.7	-164.6	0	111	E417 W426 F428	K385-E417 WeakPolarHBondContact CA-OE2 3.46Å; K385-E417 VanDerWaalsContact CB-OE2 3.26Å; K385-E417 WeakPolarHBondContact CB-OE2 3.37Å; K385-E417 WeakPolarHBondContact CG-OE2 3.4Å; K385-E417 PolarHBondContact N-OE2 2.99Å; K385-W426 VanDerWaalsContact CE-O 3.28Å; K385-W426 WeakPolarHBondContact CE-O 3.43Å; K385-F428 HydrophobicContact CB-CE1 4.24Å; K385-F428 HydrophobicContact CB-CE2 4.11Å; K385-F428 HydrophobicContact CB-CZ 3.62Å; K385-F428 HydrophobicContact CD-CD2 3.66Å; K385-F428 HydrophobicContact CD-CE1 4.31Å; K385-F428 HydrophobicContact CD-CE2 3.27Å; K385-F428 HydrophobicContact CD-CG 4.33Å; K385-F428 HydrophobicContact CD-CZ 3.63Å; K385-F428 HydrophobicContact CG-CE2 4.33Å; K385-F428 HydrophobicContact CG-CZ 4.25Å
386	N	97	Very high	96.9	Very high	44 Å²	44	31.8 Å²	31.8	24%	0.235	18%	0.176	C	C	.	.	S	Bend	trans	-103.1	145.5	175.5	-69	-28	0	0	0	111.7	R366 M384 L413 T415 E417	R366-N386 WeakPolarHBondContact CB-O 3Å; M384-N386 WeakPolarHBondContact CB-O 3.46Å; N386-L413 HydrophobicContact CB-CD1 4Å; N386-T415 PolarHBondContact ND2-OG1 3Å; N386-T415 VanDerWaalsContact ND2-OG1 3.12Å; N386-E417 PolarHBondContact N-OE1 3.02Å; N386-E417 VanDerWaalsContact N-OE1 3.13Å
387	C	97	Very high	96.6	Very high	17 Å²	17	35 Å²	35	12%	0.115	19%	0.189	C	C	.	.			trans	-68.6	138.3	164.1	-64.1	0	0	0	0	109.7	A364 V365 N407 E408	A364-C387 HydrophobicContact CB-CB 4.17Å; A364-C387 WeakPolarHBondContact O-CB 3.29Å; V365-C387 WeakPolarHBondContact O-CA 3.37Å; C387-N407 VanDerWaalsContact O-CA 3.29Å; C387-N407 WeakPolarHBondContact O-CA 3.32Å; C387-E408 PolarHBondContact SG-OE2 3.31Å
388	R	97.5	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.			trans	-142.4	129.3	-174.8	-61.9	-179.6	-173.9	-97.6	-1.8	112.1	G352 G353 V365 M384 F391 G404 R406 L413 T415 E417	G352-R388 CarbonylContact C-O 3.53Å; G352-R388 WeakPolarHBondContact CA-O 3.41Å; G353-R388 PolarHBondContact N-O 3.43Å; V365-R388 PolarHBondContact O-N 3.33Å; M384-R388 HydrophobicContact CE-CB 4.09Å; M384-R388 HydrophobicContact CE-CG 4.31Å; M384-R388 HydrophobicContact SD-CG 4.47Å; R388-F391 HydrophobicContact CB-CB 4.22Å; R388-F391 HydrophobicContact CB-CD1 3.56Å; R388-F391 HydrophobicContact CB-CD2 4.32Å; R388-F391 HydrophobicContact CB-CE1 3.91Å; R388-F391 HydrophobicContact CB-CG 3.8Å; R388-F391 HydrophobicContact CB-CZ 4.42Å; R388-G404 PolarHBondContact NH1-O 3.44Å; R388-R406 CarbonylContact C-O 3.5Å; R388-R406 VanDerWaalsContact CA-O 3.26Å; R388-R406 WeakPolarHBondContact CA-O 3.48Å; R388-L413 HydrophobicContact CG-CD1 4.14Å; R388-T415 PolarHBondContact NH1-O 3.46Å; R388-T415 PolarHBondContact NH2-O 3.45Å; R388-T415 PolarHBondContact NH2-OG1 3.43Å; R388-E417 IonicContact CZ-OE1 2.73Å; R388-E417 IonicContact NE-OE1 3.09Å; R388-E417 PolarHBondContact NE-OE1 2.79Å; R388-E417 VanDerWaalsContact NE-OE1 3.15Å; R388-E417 IonicContact NH2-OE1 3.7Å; R388-E417 PolarHBondContact NH2-OE1 2.9Å
389	E	96.5	Very high	96.7	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.061	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-127.5	158.4	161.9	65.1	-179.7	-152.9	0	0	109.6	E354 A364 F391 G405 R406	E354-E389 HydrophobicContact CG-CB 4.17Å; E354-E389 WeakPolarHBondContact CG-OE2 3.25Å; A364-E389 HydrophobicContact CB-CB 4.09Å; A364-E389 HydrophobicContact CB-CG 3.97Å; E389-F391 PolarHBondContact O-N 3.46Å; E389-G405 CarbonylContact O-C 3.54Å; E389-G405 WeakPolarHBondContact O-CA 3.38Å; E389-R406 HydrophobicContact CG-CB 3.98Å; E389-R406 PolarHBondContact N-O 3.13Å; E389-R406 PolarHBondContact O-N 3.05Å; E389-R406 IonicContact OE1-CZ 3.08Å; E389-R406 IonicContact OE1-NE 2.89Å; E389-R406 PolarHBondContact OE1-NE 3.04Å; E389-R406 IonicContact OE1-NH2 3.79Å; E389-R406 PolarHBondContact OE1-NH2 3.15Å
390	H	96.6	Very high	96.8	Very high	20 Å²	20	35 Å²	35	9%	0.093	18%	0.178	C	C	.	.	S	Bend	trans	49.2	43.6	-179.7	-53.6	-69.2	0	0	0	113.5	H338 E354 G405 R406 C438 Y486	H338-H390 AromaticContact CD2-CE1 3.35Å; H338-H390 PolarHBondContact CD2-CE1 3.25Å; H338-H390 AromaticContact CD2-ND1 3.71Å; H338-H390 AromaticContact CE1-CE1 3.69Å; H338-H390 AromaticContact CG-CE1 3.32Å; H338-H390 AromaticContact CG-ND1 3.73Å; H338-H390 AromaticContact ND1-CE1 3.53Å; H338-H390 AromaticContact ND1-NE2 3.98Å; H338-H390 AromaticContact NE2-CE1 3.61Å; H338-H390 PolarHBondContact O-N 3.5Å; E354-H390 IonicContact OE1-NE2 2.74Å; H390-G405 WeakPolarHBondContact O-CA 3.39Å; H390-R406 PolarHBondContact CD2-NH2 3.24Å; H390-R406 PolarHBondContact NE2-NH2 3.24Å; H390-C438 HydrophobicContact CB-CB 4.48Å; H390-C438 PolarHBondContact O-N 3.5Å; H390-Y486 AromaticContact CE1-CE1 3.61Å; H390-Y486 AromaticContact ND1-CE1 3.64Å
391	F	98.1	Very high	96.9	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.035	15%	0.148	C	C	.	.			trans	-109	-175.8	179.6	72.9	-78.7	0	0	0	109.4	C340 A351 M384 R388 E389 L393 A402 V403 G404	C340-F391 HydrophobicContact CB-CE1 4.23Å; C340-F391 HydrophobicContact CB-CE2 4.06Å; C340-F391 HydrophobicContact CB-CZ 3.83Å; C340-F391 PolarHBondContact SG-O 3.31Å; A351-F391 HydrophobicContact CB-CZ 4.09Å; A351-F391 WeakPolarHBondContact O-CE1 3.36Å; A351-F391 VanDerWaalsContact O-CZ 3.22Å; A351-F391 WeakPolarHBondContact O-CZ 3.26Å; M384-F391 HydrophobicContact CE-CZ 4.28Å; M384-F391 HydrophobicContact SD-CE2 4.45Å; R388-F391 HydrophobicContact CB-CB 4.22Å; R388-F391 HydrophobicContact CB-CD1 3.56Å; R388-F391 HydrophobicContact CB-CD2 4.32Å; R388-F391 HydrophobicContact CB-CE1 3.91Å; R388-F391 HydrophobicContact CB-CG 3.8Å; R388-F391 HydrophobicContact CB-CZ 4.42Å; E389-F391 PolarHBondContact O-N 3.46Å; F391-L393 HydrophobicContact CE2-CB 4.03Å; F391-L393 HydrophobicContact CE2-CD1 4.34Å; F391-A402 HydrophobicContact CD2-CB 4.07Å; F391-A402 HydrophobicContact CE2-CB 3.86Å; F391-V403 WeakPolarHBondContact CB-O 3.42Å; F391-G404 WeakPolarHBondContact CB-O 3.42Å
392	V	98.1	Very high	96.9	Very high	9 Å²	9	28 Å²	28	6%	0.055	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.2	172	166.3	0	0	0	0	109.4	A402 V403 H439 L448 I450	V392-A402 CarbonylContact O-C 3.55Å; V392-A402 WeakPolarHBondContact O-CA 3.41Å; V392-V403 HydrophobicContact CB-CB 4.17Å; V392-V403 PolarHBondContact N-O 3.32Å; V392-V403 VanDerWaalsContact N-O 3.08Å; V392-V403 PolarHBondContact O-N 3.4Å; V392-H439 WeakPolarHBondContact CG2-CD2 3.27Å; V392-H439 WeakPolarHBondContact CG2-NE2 3.47Å; V392-L448 HydrophobicContact CG1-CD1 3.9Å; V392-I450 HydrophobicContact CB-CG2 4.44Å; V392-I450 HydrophobicContact CG1-CG2 4.36Å; V392-I450 HydrophobicContact CG2-CG2 4.32Å
393	L	98.4	Very high	96.9	Very high	17 Å²	17	27 Å²	27	9%	0.089	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.6	168.9	-171.3	72.1	0	0	0	109	C340 A342 A351 F391 L400 Y401 A402 W426	C340-L393 HydrophobicContact CB-CB 3.35Å; C340-L393 HydrophobicContact CB-CD2 4.37Å; C340-L393 HydrophobicContact CB-CG 4.5Å; A342-L393 HydrophobicContact CB-CD2 3.76Å; A342-L393 HydrophobicContact CB-CG 3.89Å; A351-L393 HydrophobicContact CB-CD1 4.36Å; A351-L393 HydrophobicContact CB-CD2 3.96Å; F391-L393 HydrophobicContact CE2-CB 4.03Å; F391-L393 HydrophobicContact CE2-CD1 4.34Å; L393-L400 HydrophobicContact CD1-CB 4.22Å; L393-Y401 WeakPolarHBondContact CA-O 3.45Å; L393-A402 HydrophobicContact CD1-CB 4.12Å; L393-W426 HydrophobicContact CD1-CH2 4.02Å
394	G	97.6	Very high	96.9	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.031	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.8	175.6	0	0	0	0	0	111.8	L400 Y401	G394-L400 CarbonylContact O-C 3.53Å; G394-L400 WeakPolarHBondContact O-CA 3.35Å; G394-Y401 PolarHBondContact N-O 2.79Å; G394-Y401 PolarHBondContact O-N 3.44Å
395	A	97.2	Very high	96.9	Very high	24 Å²	24	24.1 Å²	24.1	20%	0.198	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120.5	168.4	0	0	0	0	0	109.3	A342 V343 M344 L400 V443	A342-A395 HydrophobicContact CB-CB 4.2Å; V343-A395 VanDerWaalsContact O-CB 3.27Å; V343-A395 WeakPolarHBondContact O-CB 3.29Å; M344-A395 HydrophobicContact CB-CB 4.21Å; M344-A395 HydrophobicContact CE-CB 4.14Å; A395-L400 HydrophobicContact CB-CD2 3.67Å; A395-V443 WeakPolarHBondContact O-CG1 3.28Å
396	M	94.9	Very high	96.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.8	174.7	-68.4	178.7	-68.2	0	0	108.3	E398 Y399 Y401 V443 G446 L448 Y467 P469	M396-E398 PolarHBondContact O-N 3.32Å; M396-Y399 PolarHBondContact N-O 2.96Å; M396-Y399 PolarHBondContact O-N 2.84Å; M396-Y399 VanDerWaalsContact O-N 3.07Å; M396-Y399 VanDerWaalsContact O-O 3.09Å; M396-Y401 HydrophobicContact CB-CD2 4.25Å; M396-Y401 HydrophobicContact CB-CE2 4.01Å; M396-Y401 HydrophobicContact CE-CD1 4.06Å; M396-Y401 HydrophobicContact CE-CD2 3.16Å; M396-Y401 HydrophobicContact CE-CE1 4.33Å; M396-Y401 HydrophobicContact CE-CE2 3.46Å; M396-Y401 VanDerWaalsContact CE-CE2 3.46Å; M396-Y401 HydrophobicContact CE-CG 3.47Å; M396-Y401 VanDerWaalsContact CE-CG 3.47Å; M396-V443 HydrophobicContact CG-CB 4.44Å; M396-V443 HydrophobicContact CG-CG1 3.65Å; M396-V443 HydrophobicContact CG-CG2 3.86Å; M396-G446 VanDerWaalsContact SD-O 3.37Å; M396-L448 HydrophobicContact CE-CB 3.49Å; M396-L448 VanDerWaalsContact CE-CB 3.49Å; M396-L448 HydrophobicContact CE-CD2 4.09Å; M396-L448 HydrophobicContact CE-CG 4.43Å; M396-L448 HydrophobicContact SD-CB 3.47Å; M396-L448 WeakPolarHBondContact SD-CB 3.45Å; M396-L448 PolarHBondContact SD-N 2.9Å; M396-Y467 HydrophobicContact CE-CD1 3.94Å; M396-Y467 HydrophobicContact CE-CE1 4.37Å; M396-P469 HydrophobicContact SD-CG 4.38Å
397	E	87.6	Confident	96.7	Very high	118 Å²	118	20.6 Å²	20.6	55%	0.551	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	-124.9	-175.7	-54.3	174.7	170.9	0	0	110.9
398	E	94.2	Very high	96.4	Very high	70 Å²	70	25.3 Å²	25.3	33%	0.327	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11.2	-179.7	-62.6	-167.6	144.5	0	0	114	V276 M396 P421 K422	V276-E398 HydrophobicContact CB-CB 4.39Å; V276-E398 HydrophobicContact CB-CG 4.25Å; V276-E398 HydrophobicContact CG1-CB 3.74Å; V276-E398 HydrophobicContact CG1-CG 4.08Å; M396-E398 PolarHBondContact O-N 3.32Å; E398-P421 WeakPolarHBondContact O-CD 3.38Å; E398-K422 IonicContact OE1-NZ 3.1Å; E398-K422 PolarHBondContact OE1-NZ 2.94Å; E398-K422 IonicContact OE2-NZ 3.64Å; E398-K422 PolarHBondContact OE2-NZ 2.91Å
399	Y	97.6	Very high	96.1	Very high	56 Å²	56	31.9 Å²	31.9	22%	0.22	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.4	-170.7	-57.1	-88	0	0	0	113.8	M344 M396 R418 Y419 C420	M344-Y399 VanDerWaalsContact CE-N 3.35Å; M344-Y399 VanDerWaalsContact CE-O 3.27Å; M344-Y399 WeakPolarHBondContact CE-O 3.45Å; M396-Y399 PolarHBondContact N-O 2.96Å; M396-Y399 PolarHBondContact O-N 2.84Å; M396-Y399 VanDerWaalsContact O-N 3.07Å; M396-Y399 VanDerWaalsContact O-O 3.09Å; Y399-R418 HydrophobicContact CD1-CG 3.79Å; Y399-R418 HydrophobicContact CG-CG 3.92Å; Y399-Y419 WeakPolarHBondContact CA-O 3.49Å; Y399-Y419 WeakPolarHBondContact CD1-O 3.32Å; Y399-C420 HydrophobicContact CD1-CB 4.03Å; Y399-C420 HydrophobicContact CE1-CB 3.81Å
400	L	98.3	Very high	95.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.9	167.1	-52.3	172.4	0	0	0	109.8	A342 M344 F349 L393 G394 A395 R418 Y419 W426	A342-L400 HydrophobicContact CB-CD2 3.9Å; M344-L400 HydrophobicContact CE-CD2 3.64Å; M344-L400 HydrophobicContact CE-CG 4.01Å; F349-L400 HydrophobicContact CB-CD1 3.83Å; F349-L400 HydrophobicContact CD1-CD1 3.45Å; F349-L400 VanDerWaalsContact CD1-CD1 3.45Å; F349-L400 HydrophobicContact CD2-CD1 4.12Å; F349-L400 HydrophobicContact CD2-CD2 4.46Å; F349-L400 HydrophobicContact CE1-CD1 3.9Å; F349-L400 HydrophobicContact CG-CD1 3.53Å; F349-L400 HydrophobicContact CZ-CD1 4.39Å; L393-L400 HydrophobicContact CD1-CB 4.22Å; G394-L400 CarbonylContact O-C 3.53Å; G394-L400 WeakPolarHBondContact O-CA 3.35Å; A395-L400 HydrophobicContact CB-CD2 3.67Å; L400-R418 CarbonylContact O-C 3.55Å; L400-R418 WeakPolarHBondContact O-CA 3.33Å; L400-Y419 HydrophobicContact CD1-CD1 3.84Å; L400-Y419 HydrophobicContact CG-CD1 4.19Å; L400-Y419 PolarHBondContact N-O 2.82Å; L400-Y419 PolarHBondContact O-N 2.7Å; L400-W426 HydrophobicContact CB-CH2 4.3Å
401	Y	98.4	Very high	95.7	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.6	179.6	-67.8	-98.4	0	0	0	110.1	L393 G394 M396 V416 E417 R418 V429 Y467 P469	L393-Y401 WeakPolarHBondContact CA-O 3.45Å; G394-Y401 PolarHBondContact N-O 2.79Å; G394-Y401 PolarHBondContact O-N 3.44Å; M396-Y401 HydrophobicContact CB-CD2 4.25Å; M396-Y401 HydrophobicContact CB-CE2 4.01Å; M396-Y401 HydrophobicContact CE-CD1 4.06Å; M396-Y401 HydrophobicContact CE-CD2 3.16Å; M396-Y401 HydrophobicContact CE-CE1 4.33Å; M396-Y401 HydrophobicContact CE-CE2 3.46Å; M396-Y401 VanDerWaalsContact CE-CE2 3.46Å; M396-Y401 HydrophobicContact CE-CG 3.47Å; M396-Y401 VanDerWaalsContact CE-CG 3.47Å; Y401-V416 HydrophobicContact CD1-CG1 4.43Å; Y401-E417 CarbonylContact C-O 3.43Å; Y401-E417 VanDerWaalsContact CA-O 3.29Å; Y401-E417 WeakPolarHBondContact CA-O 3.48Å; Y401-R418 HydrophobicContact CD1-CB 4.02Å; Y401-R418 HydrophobicContact CD1-CG 4.08Å; Y401-R418 HydrophobicContact CE1-CB 3.83Å; Y401-R418 HydrophobicContact CE1-CG 3.59Å; Y401-R418 HydrophobicContact CE2-CG 4.17Å; Y401-R418 VanDerWaalsContact CZ-CD 3.46Å; Y401-R418 VanDerWaalsContact OH-CD 3.22Å; Y401-R418 WeakPolarHBondContact OH-CD 3.28Å; Y401-V429 HydrophobicContact CD1-CG2 4.31Å; Y401-V429 HydrophobicContact CE1-CG2 4.38Å; Y401-Y467 AromaticContact CD1-CE1 3.88Å; Y401-Y467 HydrophobicContact CD1-CE1 3.88Å; Y401-Y467 AromaticContact CE1-CE1 3.57Å; Y401-Y467 HydrophobicContact CE1-CE1 3.57Å; Y401-P469 WeakPolarHBondContact OH-CB 3.18Å
402	A	98.4	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.2	175.1	0	0	0	0	0	109.8	M384 F391 V392 L393 V416 E417 W426	M384-A402 HydrophobicContact SD-CB 3.66Å; F391-A402 HydrophobicContact CD2-CB 4.07Å; F391-A402 HydrophobicContact CE2-CB 3.86Å; V392-A402 CarbonylContact O-C 3.55Å; V392-A402 WeakPolarHBondContact O-CA 3.41Å; L393-A402 HydrophobicContact CD1-CB 4.12Å; A402-V416 WeakPolarHBondContact O-CA 3.28Å; A402-E417 PolarHBondContact N-O 2.87Å; A402-E417 PolarHBondContact O-N 2.92Å; A402-W426 HydrophobicContact CB-CH2 4.13Å; A402-W426 HydrophobicContact CB-CZ3 3.75Å
403	V	98.1	Very high	95.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117	-165	170.5	0	0	0	0	110.5	F391 V392 V416 F432 H439 L448 I450 W474	F391-V403 WeakPolarHBondContact CB-O 3.42Å; V392-V403 HydrophobicContact CB-CB 4.17Å; V392-V403 PolarHBondContact N-O 3.32Å; V392-V403 VanDerWaalsContact N-O 3.08Å; V392-V403 PolarHBondContact O-N 3.4Å; V403-V416 HydrophobicContact CG2-CG1 3.79Å; V403-V416 HydrophobicContact CG2-CG2 4.22Å; V403-F432 HydrophobicContact CB-CZ 4.38Å; V403-F432 HydrophobicContact CG1-CE1 3.51Å; V403-F432 HydrophobicContact CG1-CZ 3.38Å; V403-H439 PolarHBondContact O-CE1 3.3Å; V403-H439 PolarHBondContact O-NE2 3.02Å; V403-L448 HydrophobicContact CB-CD2 4.49Å; V403-L448 HydrophobicContact CG2-CD2 3.39Å; V403-I450 HydrophobicContact CG1-CD1 4.06Å; V403-I450 HydrophobicContact CG1-CG2 3.97Å; V403-W474 HydrophobicContact CG1-CH2 3.95Å; V403-W474 HydrophobicContact CG1-CZ2 4.17Å; V403-W474 HydrophobicContact CG2-CH2 4.2Å; V403-W474 HydrophobicContact CG2-CZ2 4.16Å
404	G	97.4	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.214	C	C	.	.			trans	63.8	-142.5	171.5	0	0	0	0	0	114	R388 F391 L413 T415	R388-G404 PolarHBondContact NH1-O 3.44Å; F391-G404 WeakPolarHBondContact CB-O 3.42Å; G404-L413 WeakPolarHBondContact CA-O 3.36Å; G404-T415 PolarHBondContact N-O 3.2Å
405	G	97.3	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.22	C	C	.	.			trans	91.7	-163.9	-177	0	0	0	0	0	113.5	E389 H390 V412 L413 L436	E389-G405 CarbonylContact O-C 3.54Å; E389-G405 WeakPolarHBondContact O-CA 3.38Å; H390-G405 WeakPolarHBondContact O-CA 3.39Å; G405-V412 WeakPolarHBondContact O-CA 3.36Å; G405-L413 PolarHBondContact O-N 2.82Å; G405-L436 PolarHBondContact N-O 2.9Å
406	R	95.8	Very high	95.5	Very high	49 Å²	49	45.5 Å²	45.5	19%	0.185	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-118.9	145.8	175.9	-56.9	-172.2	-58.7	-153.6	-3	111.6	R388 E389 H390 Q411 V412 S437	R388-R406 CarbonylContact C-O 3.5Å; R388-R406 VanDerWaalsContact CA-O 3.26Å; R388-R406 WeakPolarHBondContact CA-O 3.48Å; E389-R406 HydrophobicContact CG-CB 3.98Å; E389-R406 PolarHBondContact N-O 3.13Å; E389-R406 PolarHBondContact O-N 3.05Å; E389-R406 IonicContact OE1-CZ 3.08Å; E389-R406 IonicContact OE1-NE 2.89Å; E389-R406 PolarHBondContact OE1-NE 3.04Å; E389-R406 IonicContact OE1-NH2 3.79Å; E389-R406 PolarHBondContact OE1-NH2 3.15Å; H390-R406 PolarHBondContact CD2-NH2 3.24Å; H390-R406 PolarHBondContact NE2-NH2 3.24Å; R406-Q411 VanDerWaalsContact CA-O 3.3Å; R406-Q411 WeakPolarHBondContact CA-O 3.4Å; R406-V412 HydrophobicContact CG-CG2 4.28Å; R406-S437 VanDerWaalsContact CG-CB 3.49Å
407	N	94.9	Very high	95.6	Very high	22 Å²	22	45.4 Å²	45.4	12%	0.118	21%	0.21	C	C	.	.			trans	-88.7	-178.6	171.4	69.6	9.9	0	0	0	112.3	C387 L409 R410 Q411 L413	C387-N407 VanDerWaalsContact O-CA 3.29Å; C387-N407 WeakPolarHBondContact O-CA 3.32Å; N407-L409 PolarHBondContact O-N 3.47Å; N407-L409 WeakPolarHBondContact OD1-CA 3.37Å; N407-L409 WeakPolarHBondContact OD1-CB 3.49Å; N407-L409 PolarHBondContact OD1-N 2.81Å; N407-R410 WeakPolarHBondContact O-CA 3.46Å; N407-R410 PolarHBondContact O-N 3.14Å; N407-R410 PolarHBondContact OD1-N 3.49Å; N407-Q411 PolarHBondContact N-O 3.28Å; N407-Q411 VanDerWaalsContact N-O 3.12Å; N407-Q411 PolarHBondContact ND2-OE1 3.28Å; N407-Q411 WeakPolarHBondContact OD1-CB 3.22Å; N407-Q411 PolarHBondContact OD1-N 2.91Å; N407-L413 HydrophobicContact CB-CD1 4.25Å; N407-L413 HydrophobicContact CB-CD2 4.32Å
408	E	91.4	Very high	96.1	Very high	116 Å²	116	43.3 Å²	43.3	54%	0.542	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.3	178	65	-157.5	-158.4	0	0	114.1	C363 C387 R410	C363-E408 HydrophobicContact CB-CB 4.42Å; C387-E408 PolarHBondContact SG-OE2 3.31Å; E408-R410 VanDerWaalsContact C-N 3.28Å
409	L	91.4	Very high	96.3	Very high	137 Å²	137	40 Å²	40	72%	0.717	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	8.4	174.4	-57.1	179.1	0	0	0	112.7	N407 Q411	N407-L409 PolarHBondContact O-N 3.47Å; N407-L409 WeakPolarHBondContact OD1-CA 3.37Å; N407-L409 WeakPolarHBondContact OD1-CB 3.49Å; N407-L409 PolarHBondContact OD1-N 2.81Å; L409-Q411 PolarHBondContact O-N 3.03Å
410	R	90.2	Very high	96.4	Very high	192 Å²	192	38.1 Å²	38.1	73%	0.725	18%	0.177	S	C	*	.			trans	61	15.2	-175	-56.2	-176.9	171.8	-154	-3.6	114.7	N407 E408 V412	N407-R410 WeakPolarHBondContact O-CA 3.46Å; N407-R410 PolarHBondContact O-N 3.14Å; N407-R410 PolarHBondContact OD1-N 3.49Å; E408-R410 VanDerWaalsContact C-N 3.28Å; R410-V412 PolarHBondContact O-N 2.86Å
411	Q	94.6	Very high	96.3	Very high	100 Å²	100	38.1 Å²	38.1	47%	0.467	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-71.9	129.3	174.3	-176.7	-175.5	1.5	0	0	109.5	R406 N407 L409	R406-Q411 VanDerWaalsContact CA-O 3.3Å; R406-Q411 WeakPolarHBondContact CA-O 3.4Å; N407-Q411 PolarHBondContact N-O 3.28Å; N407-Q411 VanDerWaalsContact N-O 3.12Å; N407-Q411 PolarHBondContact ND2-OE1 3.28Å; N407-Q411 WeakPolarHBondContact OD1-CB 3.22Å; N407-Q411 PolarHBondContact OD1-N 2.91Å; L409-Q411 PolarHBondContact O-N 3.03Å
412	V	96.6	Very high	96.2	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-74.2	129.4	174.4	-170.8	0	0	0	0	109.2	G405 R406 R410 S435 N456	G405-V412 WeakPolarHBondContact O-CA 3.36Å; R406-V412 HydrophobicContact CG-CG2 4.28Å; R410-V412 PolarHBondContact O-N 2.86Å; V412-S435 VanDerWaalsContact O-CB 3.27Å; V412-S435 WeakPolarHBondContact O-CB 3.2Å; V412-N456 HydrophobicContact CB-CB 3.95Å; V412-N456 HydrophobicContact CG2-CB 4.16Å; V412-N456 PolarHBondContact N-OD1 3.09Å; V412-N456 VanDerWaalsContact N-OD1 3.17Å
413	L	96.1	Very high	96.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-98.6	136.8	-171.8	-59.2	175.8	0	0	0	111.6	N386 R388 G404 G405 N407 L436	N386-L413 HydrophobicContact CB-CD1 4Å; R388-L413 HydrophobicContact CG-CD1 4.14Å; G404-L413 WeakPolarHBondContact CA-O 3.36Å; G405-L413 PolarHBondContact O-N 2.82Å; N407-L413 HydrophobicContact CB-CD1 4.25Å; N407-L413 HydrophobicContact CB-CD2 4.32Å; L413-L436 PolarHBondContact O-N 2.6Å
414	P	95.9	Very high	96.1	Very high	43 Å²	43	52.2 Å²	52.2	28%	0.279	24%	0.24	S	C	.	.			trans	-89.9	-9.1	166	34.9	-33.8	0	0	0	113.1	S431 F432	P414-S431 WeakPolarHBondContact O-CA 3.09Å; P414-S431 VanDerWaalsContact O-CB 3.25Å; P414-S431 WeakPolarHBondContact O-CB 3.35Å; P414-F432 VanDerWaalsContact C-CE2 3.47Å; P414-F432 HydrophobicContact CB-CD2 4.16Å; P414-F432 VanDerWaalsContact O-CD2 3.26Å; P414-F432 WeakPolarHBondContact O-CD2 3.32Å; P414-F432 WeakPolarHBondContact O-CE2 3.41Å; P414-F432 PolarHBondContact O-N 3.09Å; P414-F432 VanDerWaalsContact O-N 3.12Å
415	T	97.7	Very high	96.1	Very high	27 Å²	27	58 Å²	58	17%	0.166	27%	0.265	C	S	.	.			trans	-74.6	146.3	-169.1	61.3	0	0	0	0	112.9	N386 R388 G404 F428 S431	N386-T415 PolarHBondContact ND2-OG1 3Å; N386-T415 VanDerWaalsContact ND2-OG1 3.12Å; R388-T415 PolarHBondContact NH1-O 3.46Å; R388-T415 PolarHBondContact NH2-O 3.45Å; R388-T415 PolarHBondContact NH2-OG1 3.43Å; G404-T415 PolarHBondContact N-O 3.2Å; T415-F428 HydrophobicContact CG2-CE1 4.44Å; T415-S431 WeakPolarHBondContact CA-OG 3.39Å
416	V	98.2	Very high	96.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.8	171.8	-174.4	0	0	0	0	109.4	Y401 A402 V403 F428 V429 Q430 F432 W474	Y401-V416 HydrophobicContact CD1-CG1 4.43Å; A402-V416 WeakPolarHBondContact O-CA 3.28Å; V403-V416 HydrophobicContact CG2-CG1 3.79Å; V403-V416 HydrophobicContact CG2-CG2 4.22Å; V416-F428 WeakPolarHBondContact O-CA 3.49Å; V416-V429 HydrophobicContact CB-CG2 3.7Å; V416-V429 HydrophobicContact CG1-CG2 3.41Å; V416-V429 VanDerWaalsContact CG1-CG2 3.41Å; V416-V429 PolarHBondContact O-N 3.05Å; V416-Q430 WeakPolarHBondContact CG2-O 3.39Å; V416-F432 HydrophobicContact CG2-CD1 4.04Å; V416-F432 HydrophobicContact CG2-CE1 3.22Å; V416-F432 HydrophobicContact CG2-CZ 3.72Å; V416-W474 HydrophobicContact CG2-CZ2 3.86Å
417	E	98.2	Very high	96.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.3	177.4	-69	178.7	-115	0	0	111.1	K385 N386 R388 Y401 A402 W426 T427 F428	K385-E417 WeakPolarHBondContact CA-OE2 3.46Å; K385-E417 VanDerWaalsContact CB-OE2 3.26Å; K385-E417 WeakPolarHBondContact CB-OE2 3.37Å; K385-E417 WeakPolarHBondContact CG-OE2 3.4Å; K385-E417 PolarHBondContact N-OE2 2.99Å; N386-E417 PolarHBondContact N-OE1 3.02Å; N386-E417 VanDerWaalsContact N-OE1 3.13Å; R388-E417 IonicContact CZ-OE1 2.73Å; R388-E417 IonicContact NE-OE1 3.09Å; R388-E417 PolarHBondContact NE-OE1 2.79Å; R388-E417 VanDerWaalsContact NE-OE1 3.15Å; R388-E417 IonicContact NH2-OE1 3.7Å; R388-E417 PolarHBondContact NH2-OE1 2.9Å; Y401-E417 CarbonylContact C-O 3.43Å; Y401-E417 VanDerWaalsContact CA-O 3.29Å; Y401-E417 WeakPolarHBondContact CA-O 3.48Å; A402-E417 PolarHBondContact N-O 2.87Å; A402-E417 PolarHBondContact O-N 2.92Å; E417-W426 HydrophobicContact CB-CE3 3.75Å; E417-W426 HydrophobicContact CB-CZ3 4.28Å; E417-T427 CarbonylContact C-O 3.6Å; E417-T427 WeakPolarHBondContact CA-O 3.31Å; E417-F428 HydrophobicContact CG-CD1 3.45Å; E417-F428 VanDerWaalsContact CG-CD1 3.45Å; E417-F428 HydrophobicContact CG-CE1 3.43Å; E417-F428 VanDerWaalsContact CG-CE1 3.43Å; E417-F428 HydrophobicContact CG-CG 4.5Å; E417-F428 HydrophobicContact CG-CZ 4.48Å
418	R	98.1	Very high	96.5	Very high	75 Å²	75	61.6 Å²	61.6	28%	0.283	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.6	177.5	-175.1	-175.3	65.1	179.6	-2.1	110.6	Y399 L400 Y401 W426 T427 V429	Y399-R418 HydrophobicContact CD1-CG 3.79Å; Y399-R418 HydrophobicContact CG-CG 3.92Å; L400-R418 CarbonylContact O-C 3.55Å; L400-R418 WeakPolarHBondContact O-CA 3.33Å; Y401-R418 HydrophobicContact CD1-CB 4.02Å; Y401-R418 HydrophobicContact CD1-CG 4.08Å; Y401-R418 HydrophobicContact CE1-CB 3.83Å; Y401-R418 HydrophobicContact CE1-CG 3.59Å; Y401-R418 HydrophobicContact CE2-CG 4.17Å; Y401-R418 VanDerWaalsContact CZ-CD 3.46Å; Y401-R418 VanDerWaalsContact OH-CD 3.22Å; Y401-R418 WeakPolarHBondContact OH-CD 3.28Å; R418-W426 CarbonylContact O-C 3.53Å; R418-W426 WeakPolarHBondContact O-CA 3.43Å; R418-T427 PolarHBondContact N-O 2.85Å; R418-T427 PolarHBondContact O-N 3.35Å; R418-T427 PolarHBondContact O-OG1 2.79Å; R418-V429 HydrophobicContact CB-CG1 3.69Å
419	Y	98.7	Very high	96.8	Very high	1 Å²	1	57 Å²	57	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.5	172.7	-179.6	-114.3	0	0	0	111.1	F349 I381 A382 Y399 L400 P421 N424 K425 W426	F349-Y419 HydrophobicContact CE1-CE1 4.02Å; I381-Y419 HydrophobicContact CB-CE2 4.38Å; I381-Y419 HydrophobicContact CD1-CD1 4.37Å; I381-Y419 HydrophobicContact CD1-CD2 4.44Å; I381-Y419 HydrophobicContact CD1-CE1 3.97Å; I381-Y419 HydrophobicContact CD1-CE2 4.04Å; A382-Y419 HydrophobicContact CB-CE2 4.49Å; Y399-Y419 WeakPolarHBondContact CA-O 3.49Å; Y399-Y419 WeakPolarHBondContact CD1-O 3.32Å; L400-Y419 HydrophobicContact CD1-CD1 3.84Å; L400-Y419 HydrophobicContact CG-CD1 4.19Å; L400-Y419 PolarHBondContact N-O 2.82Å; L400-Y419 PolarHBondContact O-N 2.7Å; Y419-P421 HydrophobicContact CD1-CG 4.02Å; Y419-P421 HydrophobicContact CE1-CB 4.04Å; Y419-P421 HydrophobicContact CE1-CG 3.85Å; Y419-N424 WeakPolarHBondContact CE2-OD1 3.04Å; Y419-N424 PolarHBondContact OH-OD1 3.1Å; Y419-K425 WeakPolarHBondContact CA-O 3.47Å; Y419-W426 AromaticContact CD2-CD1 3.7Å; Y419-W426 HydrophobicContact CD2-CD2 4.05Å; Y419-W426 AromaticContact CD2-CE2 3.69Å; Y419-W426 HydrophobicContact CD2-CG 4.08Å; Y419-W426 HydrophobicContact CD2-CZ2 4.28Å; Y419-W426 AromaticContact CD2-NE1 3.43Å; Y419-W426 HydrophobicContact CG-CD2 4.26Å; Y419-W426 AromaticContact CG-CE2 3.9Å; Y419-W426 HydrophobicContact CG-CZ2 4.08Å
420	C	97.8	Very high	97.1	Very high	16 Å²	16	54.9 Å²	54.9	11%	0.108	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.4	170.9	-179.7	0	0	0	0	109.7	Y399 K422 K423 N424 K425	Y399-C420 HydrophobicContact CD1-CB 4.03Å; Y399-C420 HydrophobicContact CE1-CB 3.81Å; C420-K422 PolarHBondContact O-N 3.12Å; C420-K423 HydrophobicContact CB-CB 4.29Å; C420-K423 PolarHBondContact O-N 2.82Å; C420-N424 WeakPolarHBondContact O-CA 3.3Å; C420-N424 PolarHBondContact O-N 2.84Å; C420-K425 PolarHBondContact N-O 3.15Å; C420-K425 PolarHBondContact O-N 2.86Å
421	P	97.4	Very high	97.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.2	-44.7	178.7	-24.2	33.8	0	0	0	113	Y272 V276 M344 E398 Y419 K423 N424	Y272-P421 CarbonylContact C-O 3.54Å; Y272-P421 WeakPolarHBondContact CB-O 3.49Å; Y272-P421 CarbonylContact O-C 3.51Å; Y272-P421 WeakPolarHBondContact O-CB 3.48Å; V276-P421 HydrophobicContact CG1-CB 4.27Å; V276-P421 HydrophobicContact CG1-CG 3.96Å; V276-P421 HydrophobicContact CG2-CB 4.41Å; M344-P421 HydrophobicContact SD-CG 3.84Å; E398-P421 WeakPolarHBondContact O-CD 3.38Å; Y419-P421 HydrophobicContact CD1-CG 4.02Å; Y419-P421 HydrophobicContact CE1-CB 4.04Å; Y419-P421 HydrophobicContact CE1-CG 3.85Å; P421-K423 PolarHBondContact O-N 3.25Å; P421-K423 VanDerWaalsContact O-N 3.1Å; P421-N424 PolarHBondContact O-N 2.75Å; P421-N424 VanDerWaalsContact O-N 3.07Å
422	K	96.1	Very high	97	Very high	100 Å²	100	43.6 Å²	43.6	44%	0.435	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-56.4	-30	178.7	-61.8	179.4	179.4	159.6	0	113.7	A273 V276 E398 C420	A273-K422 HydrophobicContact CB-CG 4.37Å; V276-K422 HydrophobicContact CG2-CD 4.33Å; V276-K422 HydrophobicContact CG2-CG 3.74Å; E398-K422 IonicContact OE1-NZ 3.1Å; E398-K422 PolarHBondContact OE1-NZ 2.94Å; E398-K422 IonicContact OE2-NZ 3.64Å; E398-K422 PolarHBondContact OE2-NZ 2.91Å; C420-K422 PolarHBondContact O-N 3.12Å
423	K	96.7	Very high	96.6	Very high	163 Å²	163	48.5 Å²	48.5	71%	0.709	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-107.4	-3.2	-178.3	-65.9	-179.4	179.2	177.3	0	113.2	C420 P421 K425	C420-K423 HydrophobicContact CB-CB 4.29Å; C420-K423 PolarHBondContact O-N 2.82Å; P421-K423 PolarHBondContact O-N 3.25Å; P421-K423 VanDerWaalsContact O-N 3.1Å; K423-K425 VanDerWaalsContact C-N 3.3Å; K423-K425 HydrophobicContact CB-CB 4.23Å; K423-K425 PolarHBondContact O-N 3.3Å
424	N	97.7	Very high	96.2	Very high	37 Å²	37	54.1 Å²	54.1	20%	0.198	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	40.8	56.4	-168.7	-170.3	16.2	0	0	0	112	Y272 A382 Y419 C420 P421	Y272-N424 HydrophobicContact CD1-CB 4.44Å; Y272-N424 HydrophobicContact CD2-CB 3.85Å; Y272-N424 HydrophobicContact CE2-CB 4.39Å; Y272-N424 WeakPolarHBondContact CE2-ND2 3.31Å; Y272-N424 HydrophobicContact CG-CB 3.87Å; A382-N424 WeakPolarHBondContact CB-O 3.46Å; A382-N424 WeakPolarHBondContact CB-OD1 3.36Å; A382-N424 PolarHBondContact N-OD1 2.92Å; Y419-N424 WeakPolarHBondContact CE2-OD1 3.04Å; Y419-N424 PolarHBondContact OH-OD1 3.1Å; C420-N424 WeakPolarHBondContact O-CA 3.3Å; C420-N424 PolarHBondContact O-N 2.84Å; P421-N424 PolarHBondContact O-N 2.75Å; P421-N424 VanDerWaalsContact O-N 3.07Å
425	K	98.3	Very high	96	Very high	122 Å²	122	53.1 Å²	53.1	53%	0.53	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	137.3	-171.2	-171.9	174	-176.8	174.9	0	113.5	Y419 C420 K423	Y419-K425 WeakPolarHBondContact CA-O 3.47Å; C420-K425 PolarHBondContact N-O 3.15Å; C420-K425 PolarHBondContact O-N 2.86Å; K423-K425 VanDerWaalsContact C-N 3.3Å; K423-K425 HydrophobicContact CB-CB 4.23Å; K423-K425 PolarHBondContact O-N 3.3Å
426	W	98.6	Very high	95.9	Very high	6 Å²	6	52.1 Å²	52.1	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.4	170.1	-66.1	88.4	0	0	0	112.3	A382 P383 M384 K385 L393 L400 A402 E417 R418 Y419	A382-W426 PolarHBondContact O-NE1 2.94Å; P383-W426 VanDerWaalsContact C-CD1 3.44Å; M384-W426 HydrophobicContact CB-CD2 4.48Å; M384-W426 HydrophobicContact CG-CD2 3.74Å; M384-W426 HydrophobicContact CG-CE3 4.04Å; M384-W426 HydrophobicContact CG-CG 4.32Å; M384-W426 HydrophobicContact CG-CH2 3.99Å; M384-W426 HydrophobicContact CG-CZ2 3.69Å; M384-W426 HydrophobicContact CG-CZ3 4.16Å; M384-W426 HydrophobicContact SD-CH2 4.22Å; M384-W426 HydrophobicContact SD-CZ2 4.38Å; M384-W426 HydrophobicContact SD-CZ3 4.47Å; K385-W426 VanDerWaalsContact CE-O 3.28Å; K385-W426 WeakPolarHBondContact CE-O 3.43Å; L393-W426 HydrophobicContact CD1-CH2 4.02Å; L400-W426 HydrophobicContact CB-CH2 4.3Å; A402-W426 HydrophobicContact CB-CH2 4.13Å; A402-W426 HydrophobicContact CB-CZ3 3.75Å; E417-W426 HydrophobicContact CB-CE3 3.75Å; E417-W426 HydrophobicContact CB-CZ3 4.28Å; R418-W426 CarbonylContact O-C 3.53Å; R418-W426 WeakPolarHBondContact O-CA 3.43Å; Y419-W426 AromaticContact CD2-CD1 3.7Å; Y419-W426 HydrophobicContact CD2-CD2 4.05Å; Y419-W426 AromaticContact CD2-CE2 3.69Å; Y419-W426 HydrophobicContact CD2-CG 4.08Å; Y419-W426 HydrophobicContact CD2-CZ2 4.28Å; Y419-W426 AromaticContact CD2-NE1 3.43Å; Y419-W426 HydrophobicContact CG-CD2 4.26Å; Y419-W426 AromaticContact CG-CE2 3.9Å; Y419-W426 HydrophobicContact CG-CZ2 4.08Å
427	T	98.4	Very high	95.9	Very high	45 Å²	45	52.2 Å²	52.2	28%	0.276	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.7	179	51.2	0	0	0	0	110.2	E417 R418	E417-T427 CarbonylContact C-O 3.6Å; E417-T427 WeakPolarHBondContact CA-O 3.31Å; R418-T427 PolarHBondContact N-O 2.85Å; R418-T427 PolarHBondContact O-N 3.35Å; R418-T427 PolarHBondContact O-OG1 2.79Å
428	F	98.4	Very high	95.8	Very high	94 Å²	94	52.4 Å²	52.4	41%	0.412	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	143.3	174.6	-71	-61.5	0	0	0	110.2	K385 T415 V416 E417	K385-F428 HydrophobicContact CB-CE1 4.24Å; K385-F428 HydrophobicContact CB-CE2 4.11Å; K385-F428 HydrophobicContact CB-CZ 3.62Å; K385-F428 HydrophobicContact CD-CD2 3.66Å; K385-F428 HydrophobicContact CD-CE1 4.31Å; K385-F428 HydrophobicContact CD-CE2 3.27Å; K385-F428 HydrophobicContact CD-CG 4.33Å; K385-F428 HydrophobicContact CD-CZ 3.63Å; K385-F428 HydrophobicContact CG-CE2 4.33Å; K385-F428 HydrophobicContact CG-CZ 4.25Å; T415-F428 HydrophobicContact CG2-CE1 4.44Å; V416-F428 WeakPolarHBondContact O-CA 3.49Å; E417-F428 HydrophobicContact CG-CD1 3.45Å; E417-F428 VanDerWaalsContact CG-CD1 3.45Å; E417-F428 HydrophobicContact CG-CE1 3.43Å; E417-F428 VanDerWaalsContact CG-CE1 3.43Å; E417-F428 HydrophobicContact CG-CG 4.5Å; E417-F428 HydrophobicContact CG-CZ 4.48Å
429	V	97.8	Very high	95.8	Very high	20 Å²	20	49.3 Å²	49.3	12%	0.121	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	-171.4	171.4	-60.2	0	0	0	0	109.1	Y401 V416 R418 S431 N472	Y401-V429 HydrophobicContact CD1-CG2 4.31Å; Y401-V429 HydrophobicContact CE1-CG2 4.38Å; V416-V429 HydrophobicContact CB-CG2 3.7Å; V416-V429 HydrophobicContact CG1-CG2 3.41Å; V416-V429 VanDerWaalsContact CG1-CG2 3.41Å; V416-V429 PolarHBondContact O-N 3.05Å; R418-V429 HydrophobicContact CB-CG1 3.69Å; V429-S431 PolarHBondContact O-N 3.32Å; V429-S431 VanDerWaalsContact O-N 3.16Å; V429-N472 WeakPolarHBondContact CB-OD1 3.23Å
430	Q	97.6	Very high	95.8	Very high	93 Å²	93	49.5 Å²	49.5	44%	0.435	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-57.3	121.7	-174.6	-176.1	61.9	42.8	0	0	111.8	V416 Y467 N472 W474	V416-Q430 WeakPolarHBondContact CG2-O 3.39Å; Q430-Y467 HydrophobicContact CB-CE2 4.27Å; Q430-N472 WeakPolarHBondContact CB-O 3.44Å; Q430-N472 WeakPolarHBondContact CB-OD1 3.45Å; Q430-N472 WeakPolarHBondContact CG-O 3.17Å; Q430-N472 PolarHBondContact N-OD1 3.5Å; Q430-W474 PolarHBondContact O-NE1 3.33Å
431	S	95.6	Very high	95.8	Very high	41 Å²	41	49.6 Å²	49.6	29%	0.287	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-82.4	161	175.6	-59.3	0	0	0	0	111	P414 T415 V429	P414-S431 WeakPolarHBondContact O-CA 3.09Å; P414-S431 VanDerWaalsContact O-CB 3.25Å; P414-S431 WeakPolarHBondContact O-CB 3.35Å; T415-S431 WeakPolarHBondContact CA-OG 3.39Å; V429-S431 PolarHBondContact O-N 3.32Å; V429-S431 VanDerWaalsContact O-N 3.16Å
432	F	88.1	Confident	95.8	Very high	13 Å²	13	52.6 Å²	52.6	6%	0.057	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-82.1	159.7	171.9	0.3	-74.3	0	0	0	111.7	V403 P414 V416 R434 I450 W474	V403-F432 HydrophobicContact CB-CZ 4.38Å; V403-F432 HydrophobicContact CG1-CE1 3.51Å; V403-F432 HydrophobicContact CG1-CZ 3.38Å; P414-F432 VanDerWaalsContact C-CE2 3.47Å; P414-F432 HydrophobicContact CB-CD2 4.16Å; P414-F432 VanDerWaalsContact O-CD2 3.26Å; P414-F432 WeakPolarHBondContact O-CD2 3.32Å; P414-F432 WeakPolarHBondContact O-CE2 3.41Å; P414-F432 PolarHBondContact O-N 3.09Å; P414-F432 VanDerWaalsContact O-N 3.12Å; V416-F432 HydrophobicContact CG2-CD1 4.04Å; V416-F432 HydrophobicContact CG2-CE1 3.22Å; V416-F432 HydrophobicContact CG2-CZ 3.72Å; F432-R434 VanDerWaalsContact C-N 3.26Å; F432-R434 WeakPolarHBondContact CD2-O 3.2Å; F432-R434 PolarHBondContact O-N 3.46Å; F432-I450 HydrophobicContact CD1-CD1 4.45Å; F432-I450 HydrophobicContact CE1-CD1 4.32Å; F432-W474 AromaticContact CD1-CD2 3.97Å; F432-W474 HydrophobicContact CD1-CD2 3.97Å; F432-W474 AromaticContact CD1-CE2 3.46Å; F432-W474 VanDerWaalsContact CD1-CE2 3.46Å; F432-W474 HydrophobicContact CD1-CG 4.4Å; F432-W474 HydrophobicContact CD1-CH2 4.33Å; F432-W474 AromaticContact CD1-CZ2 3.69Å; F432-W474 HydrophobicContact CD1-CZ2 3.69Å; F432-W474 AromaticContact CD1-NE1 3.58Å; F432-W474 AromaticContact CE1-CE2 3.67Å; F432-W474 HydrophobicContact CE1-CH2 4.01Å; F432-W474 AromaticContact CE1-CZ2 3.4Å; F432-W474 HydrophobicContact CE1-CZ2 3.4Å; F432-W474 VanDerWaalsContact CE1-CZ2 3.4Å; F432-W474 AromaticContact CE1-NE1 3.98Å
433	D	86.3	Confident	95.8	Very high	113 Å²	113	49.7 Å²	49.7	60%	0.604	24%	0.244	S	C	*	.	S	Bend	trans	-65.6	-26.4	174.4	63.7	-44.4	0	0	0	113.2	R463	D433-R463 IonicContact OD1-CZ 2.87Å; D433-R463 IonicContact OD1-NH1 3.3Å; D433-R463 PolarHBondContact OD1-NH1 2.84Å; D433-R463 IonicContact OD1-NH2 3.1Å; D433-R463 PolarHBondContact OD1-NH2 3.17Å; D433-R463 IonicContact OD2-CZ 3.15Å; D433-R463 IonicContact OD2-NH1 2.72Å; D433-R463 PolarHBondContact OD2-NH1 3.48Å; D433-R463 IonicContact OD2-NH2 3.37Å
434	R	87.9	Confident	95.8	Very high	127 Å²	127	42.4 Å²	42.4	48%	0.479	21%	0.214	S	C	.	.	S	Bend	trans	-134.7	128.6	179.1	-65.3	-171.9	-173.7	-155.5	-0.8	111.3	F432	F432-R434 VanDerWaalsContact C-N 3.26Å; F432-R434 WeakPolarHBondContact CD2-O 3.2Å; F432-R434 PolarHBondContact O-N 3.46Å
435	S	93.3	Very high	95.6	Very high	22 Å²	22	45 Å²	45	15%	0.154	23%	0.228	C	C	.	.			trans	-59.9	137.9	176.2	62.4	0	0	0	0	112	V412 T455 N456	V412-S435 VanDerWaalsContact O-CB 3.27Å; V412-S435 WeakPolarHBondContact O-CB 3.2Å; S435-T455 WeakPolarHBondContact O-CA 3.18Å; S435-N456 PolarHBondContact OG-N 2.9Å
436	L	95.4	Very high	95.4	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	22%	0.22	C	C	.	.			trans	-136.9	138.6	179	-68.6	172.5	0	0	0	112.1	G405 L413 H439 I450 V454 T455 Q461 M465	G405-L436 PolarHBondContact N-O 2.9Å; L413-L436 PolarHBondContact O-N 2.6Å; L436-H439 PolarHBondContact O-CE1 3.07Å; L436-H439 PolarHBondContact O-ND1 2.95Å; L436-I450 HydrophobicContact CD1-CD1 4.46Å; L436-V454 WeakPolarHBondContact CA-O 3.35Å; L436-T455 HydrophobicContact CD2-CG2 4.05Å; L436-Q461 HydrophobicContact CD2-CB 4.48Å; L436-Q461 HydrophobicContact CD2-CG 3.86Å; L436-M465 HydrophobicContact CD1-CE 3.46Å; L436-M465 VanDerWaalsContact CD1-CE 3.46Å
437	S	97.1	Very high	95.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-131.4	163.9	165.9	62.9	0	0	0	0	110.6	R406 H439 G453 V454	R406-S437 VanDerWaalsContact CG-CB 3.49Å; S437-H439 PolarHBondContact O-N 3.29Å; S437-G453 CarbonylContact O-C 3.57Å; S437-G453 VanDerWaalsContact O-CA 3.3Å; S437-G453 WeakPolarHBondContact O-CA 3.1Å; S437-V454 PolarHBondContact N-O 3.45Å; S437-V454 PolarHBondContact O-N 2.93Å; S437-V454 WeakPolarHBondContact OG-CG1 3.41Å
438	C	97.1	Very high	95.3	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.027	22%	0.215	C	C	.	.	S	Bend	trans	57.4	23.6	179.2	-40.3	0	0	0	0	112.8	H390 V454 V485 Y486	H390-C438 HydrophobicContact CB-CB 4.48Å; H390-C438 PolarHBondContact O-N 3.5Å; C438-V454 HydrophobicContact CB-CG1 4.37Å; C438-V485 HydrophobicContact CB-CB 4.45Å; C438-Y486 HydrophobicContact CB-CD1 3.7Å; C438-Y486 HydrophobicContact CB-CD2 4.27Å; C438-Y486 HydrophobicContact CB-CE1 3.63Å; C438-Y486 HydrophobicContact CB-CE2 4.19Å; C438-Y486 HydrophobicContact CB-CG 4.05Å; C438-Y486 PolarHBondContact O-N 2.96Å; C438-Y486 WeakPolarHBondContact SG-CE1 3.41Å; C438-Y486 PolarHBondContact SG-OH 3.44Å; C438-Y486 VanDerWaalsContact SG-OH 3.4Å
439	H	97.8	Very high	95.2	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.046	20%	0.197	C	C	.	.			trans	-85.2	159.5	171.6	57	-79.7	0	0	0	108.7	V392 V403 L436 S437 S451	V392-H439 WeakPolarHBondContact CG2-CD2 3.27Å; V392-H439 WeakPolarHBondContact CG2-NE2 3.47Å; V403-H439 PolarHBondContact O-CE1 3.3Å; V403-H439 PolarHBondContact O-NE2 3.02Å; L436-H439 PolarHBondContact O-CE1 3.07Å; L436-H439 PolarHBondContact O-ND1 2.95Å; S437-H439 PolarHBondContact O-N 3.29Å; H439-S451 WeakPolarHBondContact CB-O 3.41Å
440	A	98.1	Very high	95.3	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	155.7	171.2	0	0	0	0	0	110.1	I450 S451 H487 M489	A440-I450 CarbonylContact O-C 3.56Å; A440-I450 WeakPolarHBondContact O-CA 3.48Å; A440-S451 PolarHBondContact N-O 2.85Å; A440-S451 PolarHBondContact O-N 2.92Å; A440-H487 WeakPolarHBondContact CB-CD2 3.45Å; A440-H487 VanDerWaalsContact CB-NE2 3.26Å; A440-H487 WeakPolarHBondContact CB-NE2 3.47Å; A440-H487 WeakPolarHBondContact CB-O 3.39Å; A440-M489 HydrophobicContact CB-CB 3.64Å
441	G	97.4	Very high	95.3	Very high	18 Å²	18	30.9 Å²	30.9	19%	0.186	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152	176.3	0	0	0	0	0	111.8	W449	G441-W449 CarbonylContact C-O 3.59Å; G441-W449 WeakPolarHBondContact CA-O 3.17Å
442	Y	97.7	Very high	95.4	Very high	63 Å²	63	29 Å²	29	25%	0.247	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	149	177.6	-154.3	-96.1	0	0	0	110.3	W449 M489 A490 A491 V544	Y442-W449 PolarHBondContact N-O 3.45Å; Y442-W449 PolarHBondContact O-N 3.34Å; Y442-M489 WeakPolarHBondContact CD2-O 3.22Å; Y442-M489 VanDerWaalsContact N-CE 3.32Å; Y442-A490 HydrophobicContact CE2-CB 4.49Å; Y442-A491 HydrophobicContact CD1-CB 3.55Å; Y442-A491 HydrophobicContact CE1-CB 3.82Å; Y442-V544 HydrophobicContact CE2-CG2 4.18Å; Y442-V544 WeakPolarHBondContact OH-CB 3.49Å; Y442-V544 VanDerWaalsContact OH-CG2 3.25Å; Y442-V544 WeakPolarHBondContact OH-CG2 3.4Å
443	V	97.2	Very high	95.8	Very high	39 Å²	39	28.3 Å²	28.3	24%	0.236	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.8	175.2	176.9	0	0	0	0	109.3	A395 M396 L447 L448	A395-V443 WeakPolarHBondContact O-CG1 3.28Å; M396-V443 HydrophobicContact CG-CB 4.44Å; M396-V443 HydrophobicContact CG-CG1 3.65Å; M396-V443 HydrophobicContact CG-CG2 3.86Å; V443-L447 CarbonylContact C-O 3.47Å; V443-L447 VanDerWaalsContact CA-O 3.31Å; V443-L447 WeakPolarHBondContact CA-O 3.22Å; V443-L448 HydrophobicContact CG2-CD1 3.79Å
444	A	96.2	Very high	96.3	Very high	10 Å²	10	24 Å²	24	8%	0.083	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	136.6	176.4	0	0	0	0	0	109.5	G446 L447 W449 A491 L496 M521	A444-G446 PolarHBondContact O-N 2.96Å; A444-L447 PolarHBondContact N-O 3.5Å; A444-L447 WeakPolarHBondContact O-CB 3.36Å; A444-L447 PolarHBondContact O-N 3.47Å; A444-W449 PolarHBondContact O-NE1 3.31Å; A444-A491 HydrophobicContact CB-CB 3.63Å; A444-L496 HydrophobicContact CB-CD2 4.17Å; A444-M521 HydrophobicContact CB-CE 3.97Å; A444-M521 HydrophobicContact CB-SD 4.07Å
445	D	93.4	Very high	96.6	Very high	92 Å²	92	18.4 Å²	18.4	49%	0.492	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	35.5	-177.1	-55	-32.9	0	0	0	114.3	L447 R494	D445-L447 PolarHBondContact O-N 3.24Å; D445-R494 IonicContact OD1-NH1 3.81Å; D445-R494 PolarHBondContact OD1-NH1 3.01Å; D445-R494 IonicContact OD2-CZ 2.81Å; D445-R494 IonicContact OD2-NH1 3.36Å; D445-R494 PolarHBondContact OD2-NH1 3.15Å; D445-R494 IonicContact OD2-NH2 3.74Å
446	G	94.1	Very high	96.6	Very high	35 Å²	35	21.9 Å²	21.9	36%	0.361	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	8.8	-176.9	0	0	0	0	0	114.4	M396 A444	M396-G446 VanDerWaalsContact SD-O 3.37Å; A444-G446 PolarHBondContact O-N 2.96Å
447	L	96.4	Very high	96.3	Very high	40 Å²	40	26.4 Å²	26.4	21%	0.209	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150	179.1	-54.8	-179.2	0	0	0	111.1	V443 A444 D445 W449 V466 E468	V443-L447 CarbonylContact C-O 3.47Å; V443-L447 VanDerWaalsContact CA-O 3.31Å; V443-L447 WeakPolarHBondContact CA-O 3.22Å; A444-L447 PolarHBondContact N-O 3.5Å; A444-L447 WeakPolarHBondContact O-CB 3.36Å; A444-L447 PolarHBondContact O-N 3.47Å; D445-L447 PolarHBondContact O-N 3.24Å; L447-W449 HydrophobicContact CD1-CZ2 4.49Å; L447-V466 HydrophobicContact CB-CG2 3.54Å; L447-V466 HydrophobicContact CD1-CG2 3.81Å; L447-V466 HydrophobicContact CG-CG2 4.25Å; L447-E468 HydrophobicContact CD2-CB 4.4Å; L447-E468 HydrophobicContact CD2-CG 3.94Å
448	L	97.8	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.7	178.1	178.2	63.3	0	0	0	110	V392 M396 V403 V443 V466 Y467	V392-L448 HydrophobicContact CG1-CD1 3.9Å; M396-L448 HydrophobicContact CE-CB 3.49Å; M396-L448 VanDerWaalsContact CE-CB 3.49Å; M396-L448 HydrophobicContact CE-CD2 4.09Å; M396-L448 HydrophobicContact CE-CG 4.43Å; M396-L448 HydrophobicContact SD-CB 3.47Å; M396-L448 WeakPolarHBondContact SD-CB 3.45Å; M396-L448 PolarHBondContact SD-N 2.9Å; V403-L448 HydrophobicContact CB-CD2 4.49Å; V403-L448 HydrophobicContact CG2-CD2 3.39Å; V443-L448 HydrophobicContact CG2-CD1 3.79Å; L448-V466 CarbonylContact O-C 3.58Å; L448-V466 WeakPolarHBondContact O-CA 3.44Å; L448-Y467 PolarHBondContact N-O 3.16Å; L448-Y467 PolarHBondContact O-N 2.76Å
449	W	98.1	Very high	95.9	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.5	179.1	-62	79.9	0	0	0	109.5	G441 Y442 A444 L447 L464 M465 V466 R477 M489 L496 Y519 M521	G441-W449 CarbonylContact C-O 3.59Å; G441-W449 WeakPolarHBondContact CA-O 3.17Å; Y442-W449 PolarHBondContact N-O 3.45Å; Y442-W449 PolarHBondContact O-N 3.34Å; A444-W449 PolarHBondContact O-NE1 3.31Å; L447-W449 HydrophobicContact CD1-CZ2 4.49Å; W449-L464 HydrophobicContact CE3-CD1 4.11Å; W449-L464 HydrophobicContact CE3-CD2 4.17Å; W449-L464 HydrophobicContact CE3-CG 4.18Å; W449-L464 HydrophobicContact CZ3-CD2 4.03Å; W449-L464 HydrophobicContact CZ3-CG 4.41Å; W449-M465 CarbonylContact C-O 3.54Å; W449-M465 WeakPolarHBondContact CA-O 3.37Å; W449-V466 HydrophobicContact CD2-CB 3.76Å; W449-V466 HydrophobicContact CD2-CG2 3.66Å; W449-V466 VanDerWaalsContact CE2-CG2 3.47Å; W449-V466 HydrophobicContact CE3-CB 3.73Å; W449-V466 HydrophobicContact CE3-CG2 4.15Å; W449-V466 HydrophobicContact CG-CB 4.41Å; W449-V466 HydrophobicContact CG-CG2 4.09Å; W449-V466 HydrophobicContact CH2-CB 4.16Å; W449-V466 HydrophobicContact CH2-CG1 4.31Å; W449-V466 HydrophobicContact CH2-CG2 4.3Å; W449-V466 HydrophobicContact CZ2-CB 4.16Å; W449-V466 HydrophobicContact CZ2-CG2 3.8Å; W449-V466 HydrophobicContact CZ3-CB 3.97Å; W449-V466 HydrophobicContact CZ3-CG1 4.34Å; W449-V466 HydrophobicContact CZ3-CG2 4.47Å; W449-R477 HydrophobicContact CH2-CG 4.32Å; W449-R477 HydrophobicContact CZ3-CB 4.46Å; W449-R477 HydrophobicContact CZ3-CG 3.79Å; W449-M489 HydrophobicContact CB-CE 3.67Å; W449-M489 WeakPolarHBondContact O-CE 3.46Å; W449-L496 HydrophobicContact CB-CD1 3.99Å; W449-L496 HydrophobicContact CD2-CD1 3.67Å; W449-L496 HydrophobicContact CE3-CD1 3.54Å; W449-L496 HydrophobicContact CG-CD1 3.86Å; W449-L496 HydrophobicContact CG-CD2 4.43Å; W449-L496 HydrophobicContact CZ3-CD1 4.19Å; W449-Y519 HydrophobicContact CE3-CE1 4.5Å; W449-Y519 HydrophobicContact CH2-CE1 4.01Å; W449-Y519 AromaticContact CZ3-CE1 3.65Å; W449-Y519 HydrophobicContact CZ3-CE1 3.65Å; W449-M521 HydrophobicContact CH2-CG 4.23Å; W449-M521 HydrophobicContact CH2-SD 4.34Å; W449-M521 HydrophobicContact CZ2-CG 4.16Å; W449-M521 HydrophobicContact CZ2-SD 3.7Å
450	I	98.1	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.5	170.5	63.4	179	0	0	0	111.6	V392 V403 F432 L436 A440 M465 W474	V392-I450 HydrophobicContact CB-CG2 4.44Å; V392-I450 HydrophobicContact CG1-CG2 4.36Å; V392-I450 HydrophobicContact CG2-CG2 4.32Å; V403-I450 HydrophobicContact CG1-CD1 4.06Å; V403-I450 HydrophobicContact CG1-CG2 3.97Å; F432-I450 HydrophobicContact CD1-CD1 4.45Å; F432-I450 HydrophobicContact CE1-CD1 4.32Å; L436-I450 HydrophobicContact CD1-CD1 4.46Å; A440-I450 CarbonylContact O-C 3.56Å; A440-I450 WeakPolarHBondContact O-CA 3.48Å; I450-M465 HydrophobicContact CD1-CB 4.47Å; I450-M465 HydrophobicContact CD1-CE 3.58Å; I450-M465 HydrophobicContact CG1-CB 3.95Å; I450-M465 HydrophobicContact CG1-CE 3.99Å; I450-M465 PolarHBondContact N-O 2.76Å; I450-M465 PolarHBondContact O-N 2.84Å; I450-W474 HydrophobicContact CD1-CE3 4.29Å; I450-W474 HydrophobicContact CD1-CH2 3.72Å; I450-W474 HydrophobicContact CD1-CZ3 3.55Å; I450-W474 HydrophobicContact CG1-CH2 4.19Å; I450-W474 HydrophobicContact CG1-CZ3 3.69Å; I450-W474 HydrophobicContact CG2-CH2 4.31Å; I450-W474 HydrophobicContact CG2-CZ3 4.46Å
451	S	97.9	Very high	95.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.7	-179	64.8	0	0	0	0	113.2	H439 A440 R463 H487 M489	H439-S451 WeakPolarHBondContact CB-O 3.41Å; A440-S451 PolarHBondContact N-O 2.85Å; A440-S451 PolarHBondContact O-N 2.92Å; S451-R463 VanDerWaalsContact CA-O 3.31Å; S451-R463 WeakPolarHBondContact CA-O 3.19Å; S451-H487 PolarHBondContact O-CE1 3.19Å; S451-H487 PolarHBondContact O-NE2 2.99Å; S451-H487 VanDerWaalsContact O-NE2 3.13Å; S451-H487 PolarHBondContact OG-NE2 3.31Å; S451-M489 PolarHBondContact OG-SD 2.99Å
452	G	97.3	Very high	95.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	22%	0.219	C	C	.	.			trans	63.4	-139.2	172.8	0	0	0	0	0	114.6	Q461 R463	G452-Q461 VanDerWaalsContact CA-O 3.25Å; G452-Q461 WeakPolarHBondContact CA-O 3.43Å; G452-R463 PolarHBondContact N-O 2.78Å
453	G	97.1	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.			trans	89	-174	-176.5	0	0	0	0	0	114.1	S437 Q461 R484	S437-G453 CarbonylContact O-C 3.57Å; S437-G453 VanDerWaalsContact O-CA 3.3Å; S437-G453 WeakPolarHBondContact O-CA 3.1Å; G453-Q461 PolarHBondContact O-N 3.13Å; G453-R484 PolarHBondContact N-O 3.18Å
454	V	96.4	Very high	95.6	Very high	22 Å²	22	35.7 Å²	35.7	13%	0.133	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-122.2	138.9	-177.6	64.1	0	0	0	0	110.4	L436 S437 C438 Y460 V485	L436-V454 WeakPolarHBondContact CA-O 3.35Å; S437-V454 PolarHBondContact N-O 3.45Å; S437-V454 PolarHBondContact O-N 2.93Å; S437-V454 WeakPolarHBondContact OG-CG1 3.41Å; C438-V454 HydrophobicContact CB-CG1 4.37Å; V454-Y460 HydrophobicContact CB-CD1 4.22Å; V454-Y460 HydrophobicContact CB-CE1 4.46Å; V454-Y460 HydrophobicContact CG2-CD1 3.93Å; V454-Y460 HydrophobicContact CG2-CE1 4.14Å; V454-V485 HydrophobicContact CB-CG1 4.05Å
455	T	95.5	Very high	95.7	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.055	20%	0.202	C	C	.	.			trans	-84.6	169.6	177.5	58.4	0	0	0	0	111.9	S435 L436 T457 A458 Q459 Q461	S435-T455 WeakPolarHBondContact O-CA 3.18Å; L436-T455 HydrophobicContact CD2-CG2 4.05Å; T455-T457 PolarHBondContact O-N 3.34Å; T455-T457 VanDerWaalsContact O-N 3.13Å; T455-T457 PolarHBondContact OG1-OG1 3.26Å; T455-T457 VanDerWaalsContact OG1-OG1 3.13Å; T455-A458 PolarHBondContact O-N 3.06Å; T455-Q459 PolarHBondContact N-O 2.88Å; T455-Q459 VanDerWaalsContact N-O 3.09Å; T455-Q459 WeakPolarHBondContact OG1-CB 3.3Å; T455-Q459 PolarHBondContact OG1-N 2.84Å; T455-Q459 VanDerWaalsContact OG1-N 3.13Å; T455-Q459 PolarHBondContact OG1-O 3.27Å; T455-Q461 HydrophobicContact CG2-CG 3.87Å
456	N	91.7	Very high	95.9	Very high	95 Å²	95	31 Å²	31	51%	0.508	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.9	175.5	-156.9	54.8	0	0	0	113.4	V412 S435 A458	V412-N456 HydrophobicContact CB-CB 3.95Å; V412-N456 HydrophobicContact CG2-CB 4.16Å; V412-N456 PolarHBondContact N-OD1 3.09Å; V412-N456 VanDerWaalsContact N-OD1 3.17Å; S435-N456 PolarHBondContact OG-N 2.9Å; N456-A458 VanDerWaalsContact C-N 3.29Å
457	T	91.2	Very high	96.1	Very high	101 Å²	101	29.4 Å²	29.4	62%	0.62	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	20.1	174.6	57.4	0	0	0	0	112.6	T455 Q459	T455-T457 PolarHBondContact O-N 3.34Å; T455-T457 VanDerWaalsContact O-N 3.13Å; T455-T457 PolarHBondContact OG1-OG1 3.26Å; T455-T457 VanDerWaalsContact OG1-OG1 3.13Å; T457-Q459 PolarHBondContact O-N 2.68Å; T457-Q459 VanDerWaalsContact O-N 3.14Å
458	A	90.3	Very high	96	Very high	74 Å²	74	29.5 Å²	29.5	61%	0.612	16%	0.161	S	C	*	.			trans	60.1	19.2	179.6	0	0	0	0	0	115.6	T455 N456	T455-A458 PolarHBondContact O-N 3.06Å; N456-A458 VanDerWaalsContact C-N 3.29Å
459	Q	93.6	Very high	95.8	Very high	104 Å²	104	30.2 Å²	30.2	49%	0.486	17%	0.166	S	C	.	.			trans	-87.4	123.3	177.6	-63.6	178	-16.4	0	0	111.2	T455 T457 Q461	T455-Q459 PolarHBondContact N-O 2.88Å; T455-Q459 VanDerWaalsContact N-O 3.09Å; T455-Q459 WeakPolarHBondContact OG1-CB 3.3Å; T455-Q459 PolarHBondContact OG1-N 2.84Å; T455-Q459 VanDerWaalsContact OG1-N 3.13Å; T455-Q459 PolarHBondContact OG1-O 3.27Å; T457-Q459 PolarHBondContact O-N 2.68Å; T457-Q459 VanDerWaalsContact O-N 3.14Å; Q459-Q461 PolarHBondContact O-NE2 3.15Å
460	Y	95.6	Very high	95.5	Very high	31 Å²	31	36.4 Å²	36.4	12%	0.122	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-72.1	140.5	174.4	-73.8	23.2	0	0	0	110.1	V454 R483 V485 L504	V454-Y460 HydrophobicContact CB-CD1 4.22Å; V454-Y460 HydrophobicContact CB-CE1 4.46Å; V454-Y460 HydrophobicContact CG2-CD1 3.93Å; V454-Y460 HydrophobicContact CG2-CE1 4.14Å; Y460-R483 WeakPolarHBondContact O-CD 3.26Å; Y460-V485 HydrophobicContact CD1-CG1 3.81Å; Y460-V485 HydrophobicContact CD2-CG1 3.75Å; Y460-V485 HydrophobicContact CD2-CG2 3.97Å; Y460-V485 HydrophobicContact CE1-CG1 3.98Å; Y460-V485 HydrophobicContact CE1-CG2 4.3Å; Y460-V485 HydrophobicContact CE2-CB 4.33Å; Y460-V485 HydrophobicContact CE2-CG1 3.93Å; Y460-V485 HydrophobicContact CE2-CG2 3.38Å; Y460-V485 HydrophobicContact CG-CG1 3.7Å; Y460-L504 HydrophobicContact CD1-CD1 4.44Å; Y460-L504 HydrophobicContact CD2-CD1 4.33Å; Y460-L504 HydrophobicContact CD2-CG 3.88Å; Y460-L504 HydrophobicContact CE1-CD1 4.37Å; Y460-L504 HydrophobicContact CE2-CD1 4.25Å; Y460-L504 HydrophobicContact CE2-CD2 3.93Å; Y460-L504 HydrophobicContact CE2-CG 3.62Å; Y460-L504 HydrophobicContact CG-CD1 4.42Å; Y460-L504 HydrophobicContact CG-CG 4.46Å
461	Q	96.2	Very high	95.4	Very high	22 Å²	22	41.4 Å²	41.4	10%	0.103	22%	0.223	C	C	.	.			trans	-116.7	155	-173.5	-59.4	-62.1	-51.1	0	0	111.6	L436 G452 G453 T455 Q459 R483 R484	L436-Q461 HydrophobicContact CD2-CB 4.48Å; L436-Q461 HydrophobicContact CD2-CG 3.86Å; G452-Q461 VanDerWaalsContact CA-O 3.25Å; G452-Q461 WeakPolarHBondContact CA-O 3.43Å; G453-Q461 PolarHBondContact O-N 3.13Å; T455-Q461 HydrophobicContact CG2-CG 3.87Å; Q459-Q461 PolarHBondContact O-NE2 3.15Å; Q461-R483 WeakPolarHBondContact O-CA 3.36Å; Q461-R484 PolarHBondContact O-N 2.72Å
462	N	96.8	Very high	95.3	Very high	54 Å²	54	44.3 Å²	44.3	29%	0.289	24%	0.238	S	C	.	.			trans	-119.4	8.2	167.2	67.8	-21.3	0	0	0	112.5	P479 M480 R483	N462-P479 CarbonylContact O-C 3.44Å; N462-P479 WeakPolarHBondContact O-CA 3.46Å; N462-M480 HydrophobicContact CB-CB 4.11Å; N462-M480 HydrophobicContact CB-CE 4.44Å; N462-M480 PolarHBondContact ND2-O 2.95Å; N462-M480 PolarHBondContact O-N 3.1Å; N462-R483 HydrophobicContact CB-CB 4.38Å; N462-R483 HydrophobicContact CB-CG 3.97Å
463	R	96.8	Very high	95.2	Very high	51 Å²	51	49.9 Å²	49.9	19%	0.192	26%	0.262	C	S	.	.			trans	-59.4	140.5	179.7	-73.8	177	57.9	170.7	-7.8	111	D433 S451 G452 M465	D433-R463 IonicContact OD1-CZ 2.87Å; D433-R463 IonicContact OD1-NH1 3.3Å; D433-R463 PolarHBondContact OD1-NH1 2.84Å; D433-R463 IonicContact OD1-NH2 3.1Å; D433-R463 PolarHBondContact OD1-NH2 3.17Å; D433-R463 IonicContact OD2-CZ 3.15Å; D433-R463 IonicContact OD2-NH1 2.72Å; D433-R463 PolarHBondContact OD2-NH1 3.48Å; D433-R463 IonicContact OD2-NH2 3.37Å; S451-R463 VanDerWaalsContact CA-O 3.31Å; S451-R463 WeakPolarHBondContact CA-O 3.19Å; G452-R463 PolarHBondContact N-O 2.78Å; R463-M465 PolarHBondContact NH2-SD 3.36Å
464	L	98	Very high	95.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.5	164.1	-179.1	67.8	0	0	0	108.1	W449 R477 S478 L496 Y519 W526	W449-L464 HydrophobicContact CE3-CD1 4.11Å; W449-L464 HydrophobicContact CE3-CD2 4.17Å; W449-L464 HydrophobicContact CE3-CG 4.18Å; W449-L464 HydrophobicContact CZ3-CD2 4.03Å; W449-L464 HydrophobicContact CZ3-CG 4.41Å; L464-R477 HydrophobicContact CB-CB 4.22Å; L464-R477 HydrophobicContact CD2-CB 3.71Å; L464-R477 HydrophobicContact CG-CB 3.96Å; L464-R477 PolarHBondContact O-N 3.03Å; L464-S478 WeakPolarHBondContact CB-O 3.45Å; L464-L496 HydrophobicContact CD1-CD1 4.24Å; L464-Y519 HydrophobicContact CD2-CD1 3.86Å; L464-Y519 HydrophobicContact CD2-CD2 3.84Å; L464-Y519 HydrophobicContact CD2-CE1 3.66Å; L464-Y519 HydrophobicContact CD2-CE2 3.64Å; L464-Y519 HydrophobicContact CD2-CG 3.93Å; L464-W526 HydrophobicContact CB-CZ2 4.38Å; L464-W526 HydrophobicContact CD1-CZ2 4.21Å; L464-W526 HydrophobicContact CD2-CZ2 3.82Å; L464-W526 HydrophobicContact CG-CZ2 4.36Å
465	M	97.4	Very high	95.2	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.3	176.1	-61.6	179.3	-82.3	0	0	110.4	L436 W449 I450 R463 W474 I475	L436-M465 HydrophobicContact CD1-CE 3.46Å; L436-M465 VanDerWaalsContact CD1-CE 3.46Å; W449-M465 CarbonylContact C-O 3.54Å; W449-M465 WeakPolarHBondContact CA-O 3.37Å; I450-M465 HydrophobicContact CD1-CB 4.47Å; I450-M465 HydrophobicContact CD1-CE 3.58Å; I450-M465 HydrophobicContact CG1-CB 3.95Å; I450-M465 HydrophobicContact CG1-CE 3.99Å; I450-M465 PolarHBondContact N-O 2.76Å; I450-M465 PolarHBondContact O-N 2.84Å; R463-M465 PolarHBondContact NH2-SD 3.36Å; M465-W474 HydrophobicContact CB-CE3 3.9Å; M465-W474 HydrophobicContact CB-CZ3 4.28Å; M465-I475 CarbonylContact C-O 3.6Å; M465-I475 VanDerWaalsContact CA-O 3.31Å; M465-I475 WeakPolarHBondContact CA-O 3.36Å
466	V	97.4	Very high	95.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.6	174.8	62.8	0	0	0	0	110	L447 L448 W449 W474 I475 R477	L447-V466 HydrophobicContact CB-CG2 3.54Å; L447-V466 HydrophobicContact CD1-CG2 3.81Å; L447-V466 HydrophobicContact CG-CG2 4.25Å; L448-V466 CarbonylContact O-C 3.58Å; L448-V466 WeakPolarHBondContact O-CA 3.44Å; W449-V466 HydrophobicContact CD2-CB 3.76Å; W449-V466 HydrophobicContact CD2-CG2 3.66Å; W449-V466 VanDerWaalsContact CE2-CG2 3.47Å; W449-V466 HydrophobicContact CE3-CB 3.73Å; W449-V466 HydrophobicContact CE3-CG2 4.15Å; W449-V466 HydrophobicContact CG-CB 4.41Å; W449-V466 HydrophobicContact CG-CG2 4.09Å; W449-V466 HydrophobicContact CH2-CB 4.16Å; W449-V466 HydrophobicContact CH2-CG1 4.31Å; W449-V466 HydrophobicContact CH2-CG2 4.3Å; W449-V466 HydrophobicContact CZ2-CB 4.16Å; W449-V466 HydrophobicContact CZ2-CG2 3.8Å; W449-V466 HydrophobicContact CZ3-CB 3.97Å; W449-V466 HydrophobicContact CZ3-CG1 4.34Å; W449-V466 HydrophobicContact CZ3-CG2 4.47Å; V466-W474 CarbonylContact O-C 3.54Å; V466-W474 WeakPolarHBondContact O-CA 3.46Å; V466-I475 HydrophobicContact CG1-CB 3.85Å; V466-I475 HydrophobicContact CG1-CG2 4.43Å; V466-I475 PolarHBondContact N-O 3.2Å; V466-I475 PolarHBondContact O-N 3.08Å; V466-R477 HydrophobicContact CG1-CG 4.18Å
467	Y	97.6	Very high	95.6	Very high	2 Å²	2	56 Å²	56	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.5	174.9	179.3	-104.9	0	0	0	110.5	M396 Y401 Q430 L448 P469 N472 K473 W474	M396-Y467 HydrophobicContact CE-CD1 3.94Å; M396-Y467 HydrophobicContact CE-CE1 4.37Å; Y401-Y467 AromaticContact CD1-CE1 3.88Å; Y401-Y467 HydrophobicContact CD1-CE1 3.88Å; Y401-Y467 AromaticContact CE1-CE1 3.57Å; Y401-Y467 HydrophobicContact CE1-CE1 3.57Å; Q430-Y467 HydrophobicContact CB-CE2 4.27Å; L448-Y467 PolarHBondContact N-O 3.16Å; L448-Y467 PolarHBondContact O-N 2.76Å; Y467-P469 HydrophobicContact CD1-CB 4.45Å; Y467-P469 HydrophobicContact CE1-CB 3.94Å; Y467-P469 WeakPolarHBondContact O-CD 3.25Å; Y467-N472 PolarHBondContact OH-OD1 3.41Å; Y467-K473 WeakPolarHBondContact CA-O 3.46Å; Y467-K473 WeakPolarHBondContact CD2-O 3.37Å; Y467-W474 AromaticContact CD2-CD1 3.87Å; Y467-W474 AromaticContact CD2-CD2 3.91Å; Y467-W474 HydrophobicContact CD2-CD2 3.91Å; Y467-W474 AromaticContact CD2-CE2 3.49Å; Y467-W474 VanDerWaalsContact CD2-CE2 3.49Å; Y467-W474 HydrophobicContact CD2-CG 4.12Å; Y467-W474 AromaticContact CD2-CZ2 3.9Å; Y467-W474 HydrophobicContact CD2-CZ2 3.9Å; Y467-W474 AromaticContact CD2-NE1 3.45Å; Y467-W474 HydrophobicContact CG-CD2 4.35Å; Y467-W474 AromaticContact CG-CE2 3.96Å; Y467-W474 HydrophobicContact CG-CH2 4.33Å; Y467-W474 AromaticContact CG-CZ2 3.94Å; Y467-W474 HydrophobicContact CG-CZ2 3.94Å
468	E	95.3	Very high	95.9	Very high	41 Å²	41	53 Å²	53	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	107.8	172.6	-67.4	-167.2	-171.6	0	0	109.9	L447 N470 Q471 N472 K473 I475	L447-E468 HydrophobicContact CD2-CB 4.4Å; L447-E468 HydrophobicContact CD2-CG 3.94Å; E468-N470 VanDerWaalsContact C-N 3.3Å; E468-N470 PolarHBondContact O-N 2.82Å; E468-Q471 HydrophobicContact CB-CB 4.36Å; E468-Q471 PolarHBondContact O-N 3.23Å; E468-Q471 PolarHBondContact OE2-NE2 3.49Å; E468-N472 WeakPolarHBondContact O-CA 3.24Å; E468-N472 PolarHBondContact O-N 2.84Å; E468-K473 PolarHBondContact N-O 3.38Å; E468-K473 PolarHBondContact O-N 3.41Å; E468-I475 VanDerWaalsContact CD-CD1 3.43Å; E468-I475 HydrophobicContact CG-CD1 3.88Å; E468-I475 WeakPolarHBondContact OE1-CD1 3.49Å
469	P	93.4	Very high	96.3	Very high	15 Å²	15	52.8 Å²	52.8	10%	0.097	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-34.9	-175.1	23.9	-32.8	0	0	0	112.8	M396 Y401 Y467 Q471 N472	M396-P469 HydrophobicContact SD-CG 4.38Å; Y401-P469 WeakPolarHBondContact OH-CB 3.18Å; Y467-P469 HydrophobicContact CD1-CB 4.45Å; Y467-P469 HydrophobicContact CE1-CB 3.94Å; Y467-P469 WeakPolarHBondContact O-CD 3.25Å; P469-Q471 PolarHBondContact O-N 2.99Å; P469-N472 PolarHBondContact O-N 3.41Å
470	N	92.9	Very high	96.5	Very high	137 Å²	137	48 Å²	48	73%	0.733	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-37	-179.5	-68.6	-34.4	0	0	0	113	E468	E468-N470 VanDerWaalsContact C-N 3.3Å; E468-N470 PolarHBondContact O-N 2.82Å
471	Q	94.5	Very high	96.6	Very high	105 Å²	105	50.9 Å²	50.9	49%	0.491	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-12.5	177.4	-59.9	-163.1	48.6	0	0	112.9	E468 P469 K473	E468-Q471 HydrophobicContact CB-CB 4.36Å; E468-Q471 PolarHBondContact O-N 3.23Å; E468-Q471 PolarHBondContact OE2-NE2 3.49Å; P469-Q471 PolarHBondContact O-N 2.99Å; Q471-K473 VanDerWaalsContact C-N 3.31Å; Q471-K473 HydrophobicContact CB-CB 4.22Å; Q471-K473 HydrophobicContact CB-CD 4.23Å; Q471-K473 HydrophobicContact CB-CG 4.33Å; Q471-K473 WeakPolarHBondContact O-CG 3.33Å; Q471-K473 PolarHBondContact O-N 2.84Å
472	N	96	Very high	96.5	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.332	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	51.1	-170.6	-176.6	37.6	0	0	0	111.1	V429 Q430 Y467 E468 P469	V429-N472 WeakPolarHBondContact CB-OD1 3.23Å; Q430-N472 WeakPolarHBondContact CB-O 3.44Å; Q430-N472 WeakPolarHBondContact CB-OD1 3.45Å; Q430-N472 WeakPolarHBondContact CG-O 3.17Å; Q430-N472 PolarHBondContact N-OD1 3.5Å; Y467-N472 PolarHBondContact OH-OD1 3.41Å; E468-N472 WeakPolarHBondContact O-CA 3.24Å; E468-N472 PolarHBondContact O-N 2.84Å; P469-N472 PolarHBondContact O-N 3.41Å
473	K	96.3	Very high	96.4	Very high	118 Å²	118	53.6 Å²	53.6	51%	0.513	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.3	-174.9	-75.6	176.6	-170.5	173.5	0	112.1	Y467 E468 Q471	Y467-K473 WeakPolarHBondContact CA-O 3.46Å; Y467-K473 WeakPolarHBondContact CD2-O 3.37Å; E468-K473 PolarHBondContact N-O 3.38Å; E468-K473 PolarHBondContact O-N 3.41Å; Q471-K473 VanDerWaalsContact C-N 3.31Å; Q471-K473 HydrophobicContact CB-CB 4.22Å; Q471-K473 HydrophobicContact CB-CD 4.23Å; Q471-K473 HydrophobicContact CB-CG 4.33Å; Q471-K473 WeakPolarHBondContact O-CG 3.33Å; Q471-K473 PolarHBondContact O-N 2.84Å
474	W	97.1	Very high	96.4	Very high	42 Å²	42	51.2 Å²	51.2	16%	0.159	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.3	171.1	-71.9	93.6	0	0	0	110	V403 V416 Q430 F432 I450 M465 V466 Y467	V403-W474 HydrophobicContact CG1-CH2 3.95Å; V403-W474 HydrophobicContact CG1-CZ2 4.17Å; V403-W474 HydrophobicContact CG2-CH2 4.2Å; V403-W474 HydrophobicContact CG2-CZ2 4.16Å; V416-W474 HydrophobicContact CG2-CZ2 3.86Å; Q430-W474 PolarHBondContact O-NE1 3.33Å; F432-W474 AromaticContact CD1-CD2 3.97Å; F432-W474 HydrophobicContact CD1-CD2 3.97Å; F432-W474 AromaticContact CD1-CE2 3.46Å; F432-W474 VanDerWaalsContact CD1-CE2 3.46Å; F432-W474 HydrophobicContact CD1-CG 4.4Å; F432-W474 HydrophobicContact CD1-CH2 4.33Å; F432-W474 AromaticContact CD1-CZ2 3.69Å; F432-W474 HydrophobicContact CD1-CZ2 3.69Å; F432-W474 AromaticContact CD1-NE1 3.58Å; F432-W474 AromaticContact CE1-CE2 3.67Å; F432-W474 HydrophobicContact CE1-CH2 4.01Å; F432-W474 AromaticContact CE1-CZ2 3.4Å; F432-W474 HydrophobicContact CE1-CZ2 3.4Å; F432-W474 VanDerWaalsContact CE1-CZ2 3.4Å; F432-W474 AromaticContact CE1-NE1 3.98Å; I450-W474 HydrophobicContact CD1-CE3 4.29Å; I450-W474 HydrophobicContact CD1-CH2 3.72Å; I450-W474 HydrophobicContact CD1-CZ3 3.55Å; I450-W474 HydrophobicContact CG1-CH2 4.19Å; I450-W474 HydrophobicContact CG1-CZ3 3.69Å; I450-W474 HydrophobicContact CG2-CH2 4.31Å; I450-W474 HydrophobicContact CG2-CZ3 4.46Å; M465-W474 HydrophobicContact CB-CE3 3.9Å; M465-W474 HydrophobicContact CB-CZ3 4.28Å; V466-W474 CarbonylContact O-C 3.54Å; V466-W474 WeakPolarHBondContact O-CA 3.46Å; Y467-W474 AromaticContact CD2-CD1 3.87Å; Y467-W474 AromaticContact CD2-CD2 3.91Å; Y467-W474 HydrophobicContact CD2-CD2 3.91Å; Y467-W474 AromaticContact CD2-CE2 3.49Å; Y467-W474 VanDerWaalsContact CD2-CE2 3.49Å; Y467-W474 HydrophobicContact CD2-CG 4.12Å; Y467-W474 AromaticContact CD2-CZ2 3.9Å; Y467-W474 HydrophobicContact CD2-CZ2 3.9Å; Y467-W474 AromaticContact CD2-NE1 3.45Å; Y467-W474 HydrophobicContact CG-CD2 4.35Å; Y467-W474 AromaticContact CG-CE2 3.96Å; Y467-W474 HydrophobicContact CG-CH2 4.33Å; Y467-W474 AromaticContact CG-CZ2 3.94Å; Y467-W474 HydrophobicContact CG-CZ2 3.94Å
475	I	96.3	Very high	96.3	Very high	52 Å²	52	51.2 Å²	51.2	27%	0.267	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.1	179.2	-58.4	172.8	0	0	0	108.1	M465 V466 E468	M465-I475 CarbonylContact C-O 3.6Å; M465-I475 VanDerWaalsContact CA-O 3.31Å; M465-I475 WeakPolarHBondContact CA-O 3.36Å; V466-I475 HydrophobicContact CG1-CB 3.85Å; V466-I475 HydrophobicContact CG1-CG2 4.43Å; V466-I475 PolarHBondContact N-O 3.2Å; V466-I475 PolarHBondContact O-N 3.08Å; E468-I475 VanDerWaalsContact CD-CD1 3.43Å; E468-I475 HydrophobicContact CG-CD1 3.88Å; E468-I475 WeakPolarHBondContact OE1-CD1 3.49Å
476	S	96.9	Very high	96.3	Very high	82 Å²	82	53 Å²	53	57%	0.573	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.5	174	-165.6	0	0	0	0	110.3
477	R	97.8	Very high	96.3	Very high	80 Å²	80	53.5 Å²	53.5	30%	0.302	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	176.4	175.6	-66.1	-67.9	-173.5	-177.6	-0.7	110.4	W449 L464 V466 D524	W449-R477 HydrophobicContact CH2-CG 4.32Å; W449-R477 HydrophobicContact CZ3-CB 4.46Å; W449-R477 HydrophobicContact CZ3-CG 3.79Å; L464-R477 HydrophobicContact CB-CB 4.22Å; L464-R477 HydrophobicContact CD2-CB 3.71Å; L464-R477 HydrophobicContact CG-CB 3.96Å; L464-R477 PolarHBondContact O-N 3.03Å; V466-R477 HydrophobicContact CG1-CG 4.18Å; R477-D524 WeakPolarHBondContact CD-OD2 3.33Å; R477-D524 IonicContact NH1-OD2 3.92Å
478	S	98.3	Very high	96.3	Very high	36 Å²	36	53.8 Å²	53.8	25%	0.252	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-53.6	129.4	176.5	-71	0	0	0	0	110.4	L464 D524 W526	L464-S478 WeakPolarHBondContact CB-O 3.45Å; S478-D524 VanDerWaalsContact CB-O 3.27Å; S478-D524 WeakPolarHBondContact CB-O 3.47Å; S478-D524 WeakPolarHBondContact CB-OD1 3.37Å; S478-D524 PolarHBondContact N-OD1 3.19Å; S478-D524 PolarHBondContact OG-O 3.34Å; S478-D524 PolarHBondContact OG-OD1 3.18Å; S478-W526 PolarHBondContact O-NE1 2.84Å
479	P	98.1	Very high	96.4	Very high	70 Å²	70	51.9 Å²	51.9	46%	0.455	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-70.8	152.9	-176.8	30.6	-35.5	0	0	0	111.3	N462 W526	N462-P479 CarbonylContact O-C 3.44Å; N462-P479 WeakPolarHBondContact O-CA 3.46Å; P479-W526 PolarHBondContact O-NE1 2.79Å
480	M	98.1	Very high	96.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-56.8	149.7	173.7	-62.1	-173	-64.2	0	0	111.3	N462 Q482 R484 V498 W526	N462-M480 HydrophobicContact CB-CB 4.11Å; N462-M480 HydrophobicContact CB-CE 4.44Å; N462-M480 PolarHBondContact ND2-O 2.95Å; N462-M480 PolarHBondContact O-N 3.1Å; M480-Q482 WeakPolarHBondContact CB-O 3.32Å; M480-Q482 PolarHBondContact O-N 3.12Å; M480-R484 HydrophobicContact CE-CB 4.19Å; M480-R484 HydrophobicContact CE-CG 4.47Å; M480-V498 HydrophobicContact SD-CB 4.39Å; M480-V498 HydrophobicContact SD-CG1 3.94Å; M480-V498 HydrophobicContact SD-CG2 3.95Å; M480-W526 HydrophobicContact CB-CZ2 4.34Å; M480-W526 HydrophobicContact CG-CH2 3.74Å; M480-W526 HydrophobicContact CG-CZ2 3.44Å; M480-W526 VanDerWaalsContact CG-CZ2 3.44Å; M480-W526 HydrophobicContact CG-CZ3 4.39Å; M480-W526 HydrophobicContact SD-CH2 4.37Å
481	L	96.9	Very high	96.8	Very high	93 Å²	93	45.4 Å²	45.4	49%	0.487	23%	0.228	S	C	.	.	S	Bend	trans	-60.7	-25.9	176.9	-58	-179.4	0	0	0	113	W526 R528	L481-W526 HydrophobicContact CD1-CB 4.25Å; L481-W526 HydrophobicContact CD2-CB 3.8Å; L481-W526 HydrophobicContact CG-CB 3.75Å; L481-R528 HydrophobicContact CD1-CB 4.1Å
482	Q	94.2	Very high	96.9	Very high	40 Å²	40	41 Å²	41	19%	0.187	21%	0.208	C	C	.	.	S	Bend	trans	-140.8	148.7	179.3	-172.4	174.9	3.3	0	0	110.3	M480 D503	M480-Q482 WeakPolarHBondContact CB-O 3.32Å; M480-Q482 PolarHBondContact O-N 3.12Å; Q482-D503 WeakPolarHBondContact CG-OD2 3.48Å; Q482-D503 PolarHBondContact NE2-OD2 2.91Å
483	R	95.8	Very high	96.7	Very high	93 Å²	93	43.5 Å²	43.5	35%	0.351	22%	0.218	S	C	.	.			trans	-71.3	143.9	172.8	-55	171.1	-57.8	-172.3	0.5	109.6	Y460 Q461 N462 D503 L504	Y460-R483 WeakPolarHBondContact O-CD 3.26Å; Q461-R483 WeakPolarHBondContact O-CA 3.36Å; N462-R483 HydrophobicContact CB-CB 4.38Å; N462-R483 HydrophobicContact CB-CG 3.97Å; R483-D503 IonicContact CZ-OD1 3.67Å; R483-D503 IonicContact NE-OD1 3.55Å; R483-D503 PolarHBondContact NE-OD1 2.82Å; R483-D503 VanDerWaalsContact NE-OD1 3.15Å; R483-D503 IonicContact NH2-OD1 2.85Å; R483-D503 PolarHBondContact NH2-OD1 3.36Å; R483-D503 VanDerWaalsContact NH2-OD1 3.1Å; R483-D503 WeakPolarHBondContact O-CB 3.15Å; R483-D503 VanDerWaalsContact O-CG 3.24Å; R483-L504 PolarHBondContact NH2-O 2.9Å; R483-L504 VanDerWaalsContact NH2-O 3.12Å
484	R	96	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.			trans	-146	143	179.6	-61	-174.1	-170.2	-141.9	7.3	112	G453 Q461 M480 H487 G500 N502 H515 D517	G453-R484 PolarHBondContact N-O 3.18Å; Q461-R484 PolarHBondContact O-N 2.72Å; M480-R484 HydrophobicContact CE-CB 4.19Å; M480-R484 HydrophobicContact CE-CG 4.47Å; R484-H487 HydrophobicContact CB-CB 4.09Å; R484-H487 VanDerWaalsContact CB-ND1 3.29Å; R484-H487 WeakPolarHBondContact CB-ND1 3.49Å; R484-H487 PolarHBondContact O-CE1 3.32Å; R484-H487 PolarHBondContact O-ND1 3.17Å; R484-G500 PolarHBondContact NH1-O 3.13Å; R484-G500 VanDerWaalsContact NH1-O 3.12Å; R484-N502 WeakPolarHBondContact CA-O 3.42Å; R484-H515 PolarHBondContact NH1-O 3.13Å; R484-H515 PolarHBondContact NH2-O 3.13Å; R484-D517 IonicContact CZ-OD2 2.94Å; R484-D517 IonicContact NE-OD2 3.81Å; R484-D517 IonicContact NH2-OD2 3.69Å; R484-D517 PolarHBondContact NH2-OD2 3.3Å
485	V	96.5	Very high	96.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-127.6	150.2	168.1	-62.1	0	0	0	0	109.8	C438 V454 Y460 H487 G501 N502	C438-V485 HydrophobicContact CB-CB 4.45Å; V454-V485 HydrophobicContact CB-CG1 4.05Å; Y460-V485 HydrophobicContact CD1-CG1 3.81Å; Y460-V485 HydrophobicContact CD2-CG1 3.75Å; Y460-V485 HydrophobicContact CD2-CG2 3.97Å; Y460-V485 HydrophobicContact CE1-CG1 3.98Å; Y460-V485 HydrophobicContact CE1-CG2 4.3Å; Y460-V485 HydrophobicContact CE2-CB 4.33Å; Y460-V485 HydrophobicContact CE2-CG1 3.93Å; Y460-V485 HydrophobicContact CE2-CG2 3.38Å; Y460-V485 HydrophobicContact CG-CG1 3.7Å; V485-H487 PolarHBondContact O-N 3Å; V485-H487 VanDerWaalsContact O-N 3.08Å; V485-G501 CarbonylContact O-C 3.59Å; V485-G501 VanDerWaalsContact O-CA 3.23Å; V485-G501 WeakPolarHBondContact O-CA 3.45Å; V485-N502 HydrophobicContact CG2-CB 3.99Å; V485-N502 WeakPolarHBondContact CG2-O 3.26Å; V485-N502 PolarHBondContact N-O 3.24Å; V485-N502 PolarHBondContact O-N 2.85Å
486	Y	96.8	Very high	96.6	Very high	42 Å²	42	41 Å²	41	17%	0.165	20%	0.203	C	C	.	.	S	Bend	trans	56.8	20.2	-179.6	-56.5	-74.7	0	0	0	114.3	H390 C438 N538 E539	H390-Y486 AromaticContact CE1-CE1 3.61Å; H390-Y486 AromaticContact ND1-CE1 3.64Å; C438-Y486 HydrophobicContact CB-CD1 3.7Å; C438-Y486 HydrophobicContact CB-CD2 4.27Å; C438-Y486 HydrophobicContact CB-CE1 3.63Å; C438-Y486 HydrophobicContact CB-CE2 4.19Å; C438-Y486 HydrophobicContact CB-CG 4.05Å; C438-Y486 PolarHBondContact O-N 2.96Å; C438-Y486 WeakPolarHBondContact SG-CE1 3.41Å; C438-Y486 PolarHBondContact SG-OH 3.44Å; C438-Y486 VanDerWaalsContact SG-OH 3.4Å; Y486-N538 WeakPolarHBondContact O-CA 3.44Å; Y486-E539 HydrophobicContact CD1-CG 3.63Å; Y486-E539 HydrophobicContact CE1-CG 4.28Å; Y486-E539 HydrophobicContact CG-CG 4.03Å; Y486-E539 PolarHBondContact O-N 3.09Å
487	H	97.4	Very high	96.6	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.051	18%	0.178	C	C	.	.			trans	-78.9	169	172	61.2	-74	0	0	0	110.8	A440 S451 R484 V485 V498 L499 G500	A440-H487 WeakPolarHBondContact CB-CD2 3.45Å; A440-H487 VanDerWaalsContact CB-NE2 3.26Å; A440-H487 WeakPolarHBondContact CB-NE2 3.47Å; A440-H487 WeakPolarHBondContact CB-O 3.39Å; S451-H487 PolarHBondContact O-CE1 3.19Å; S451-H487 PolarHBondContact O-NE2 2.99Å; S451-H487 VanDerWaalsContact O-NE2 3.13Å; S451-H487 PolarHBondContact OG-NE2 3.31Å; R484-H487 HydrophobicContact CB-CB 4.09Å; R484-H487 VanDerWaalsContact CB-ND1 3.29Å; R484-H487 WeakPolarHBondContact CB-ND1 3.49Å; R484-H487 PolarHBondContact O-CE1 3.32Å; R484-H487 PolarHBondContact O-ND1 3.17Å; V485-H487 PolarHBondContact O-N 3Å; V485-H487 VanDerWaalsContact O-N 3.08Å; H487-V498 HydrophobicContact CB-CG1 4.43Å; H487-V498 VanDerWaalsContact CD2-CG1 3.45Å; H487-V498 WeakPolarHBondContact CD2-CG1 3.36Å; H487-L499 WeakPolarHBondContact CB-O 3.37Å; H487-G500 WeakPolarHBondContact CB-O 3.4Å
488	S	97.5	Very high	96.6	Very high	8 Å²	8	33.8 Å²	33.8	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	154.7	170.5	-64.5	0	0	0	0	110.3	L499 S540 L551	S488-L499 PolarHBondContact N-O 2.86Å; S488-L499 PolarHBondContact O-N 3.05Å; S488-S540 PolarHBondContact OG-O 2.93Å; S488-L551 VanDerWaalsContact OG-CD1 3.32Å; S488-L551 WeakPolarHBondContact OG-CD1 3.26Å
489	M	98	Very high	96.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.5	172.4	-172.7	167.6	70.3	0	0	109.2	A440 Y442 W449 S451 L496 Y497 V498	A440-M489 HydrophobicContact CB-CB 3.64Å; Y442-M489 WeakPolarHBondContact CD2-O 3.22Å; Y442-M489 VanDerWaalsContact N-CE 3.32Å; W449-M489 HydrophobicContact CB-CE 3.67Å; W449-M489 WeakPolarHBondContact O-CE 3.46Å; S451-M489 PolarHBondContact OG-SD 2.99Å; M489-L496 HydrophobicContact SD-CB 4.43Å; M489-L496 HydrophobicContact SD-CD1 4.23Å; M489-Y497 VanDerWaalsContact CA-O 3.26Å; M489-Y497 WeakPolarHBondContact CA-O 3.4Å; M489-V498 HydrophobicContact CB-CG2 4.46Å; M489-V498 HydrophobicContact CG-CG2 4.12Å; M489-V498 HydrophobicContact SD-CG2 4.17Å
490	A	97.8	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.2	177.5	0	0	0	0	0	110	Y442 L496 Y497 V542 V544 I549	Y442-A490 HydrophobicContact CE2-CB 4.49Å; A490-L496 CarbonylContact O-C 3.18Å; A490-L496 WeakPolarHBondContact O-CA 3.4Å; A490-Y497 PolarHBondContact N-O 3.14Å; A490-Y497 PolarHBondContact O-N 3.06Å; A490-V542 HydrophobicContact CB-CG2 3.96Å; A490-V544 HydrophobicContact CB-CG2 3.67Å; A490-I549 HydrophobicContact CB-CB 4.36Å; A490-I549 HydrophobicContact CB-CD1 3.78Å; A490-I549 HydrophobicContact CB-CG1 3.85Å; A490-I549 HydrophobicContact CB-CG2 3.57Å
491	A	97.1	Very high	96.3	Very high	16 Å²	16	28.8 Å²	28.8	13%	0.132	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.7	176.5	0	0	0	0	0	111	Y442 A444 K495 L496	Y442-A491 HydrophobicContact CD1-CB 3.55Å; Y442-A491 HydrophobicContact CE1-CB 3.82Å; A444-A491 HydrophobicContact CB-CB 3.63Å; A491-K495 VanDerWaalsContact CA-O 3.32Å; A491-K495 WeakPolarHBondContact CA-O 3.35Å; A491-L496 HydrophobicContact CB-CD2 3.67Å
492	V	95.9	Very high	96.2	Very high	11 Å²	11	24.5 Å²	24.5	7%	0.067	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.4	172.6	-178.8	0	0	0	0	108.4	R494 K495 Y497 V544 I549 V571	V492-R494 PolarHBondContact O-N 2.81Å; V492-K495 PolarHBondContact N-O 2.62Å; V492-K495 PolarHBondContact O-N 3.08Å; V492-Y497 HydrophobicContact CB-CE2 4.19Å; V492-V544 HydrophobicContact CG2-CG1 3.7Å; V492-I549 HydrophobicContact CG2-CD1 3.9Å; V492-I549 HydrophobicContact CG2-CG1 3.68Å; V492-V571 HydrophobicContact CB-CG2 3.83Å; V492-V571 HydrophobicContact CG1-CG2 3.7Å; V492-V571 HydrophobicContact CG2-CG2 4.01Å
493	Q	91.4	Very high	96.2	Very high	116 Å²	116	23.1 Å²	23.1	54%	0.542	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	52.2	174.5	-65.4	174.6	-0.3	0	0	113.9	K495 S572	Q493-K495 PolarHBondContact O-N 3.19Å; Q493-K495 VanDerWaalsContact O-N 3.08Å; Q493-S572 PolarHBondContact NE2-O 2.94Å
494	R	93	Very high	96	Very high	107 Å²	107	20.2 Å²	20.2	40%	0.404	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	16.7	-177.7	-58.6	-174.9	62.1	65.5	8.2	116.2	D445 V492 M521 D522	D445-R494 IonicContact OD1-NH1 3.81Å; D445-R494 PolarHBondContact OD1-NH1 3.01Å; D445-R494 IonicContact OD2-CZ 2.81Å; D445-R494 IonicContact OD2-NH1 3.36Å; D445-R494 PolarHBondContact OD2-NH1 3.15Å; D445-R494 IonicContact OD2-NH2 3.74Å; V492-R494 PolarHBondContact O-N 2.81Å; R494-M521 HydrophobicContact CB-CE 4.08Å; R494-M521 WeakPolarHBondContact O-CB 3.3Å; R494-M521 VanDerWaalsContact O-CE 3.22Å; R494-M521 WeakPolarHBondContact O-CE 3.46Å; R494-M521 WeakPolarHBondContact O-CG 3.46Å; R494-M521 PolarHBondContact O-N 2.93Å; R494-D522 IonicContact CZ-OD1 3.48Å; R494-D522 VanDerWaalsContact CZ-OD1 3.24Å; R494-D522 IonicContact CZ-OD2 3.62Å; R494-D522 IonicContact NE-OD1 3.29Å; R494-D522 PolarHBondContact NE-OD1 3.05Å; R494-D522 IonicContact NE-OD2 3.4Å; R494-D522 PolarHBondContact NE-OD2 3.23Å; R494-D522 IonicContact NH2-OD1 3.55Å; R494-D522 PolarHBondContact NH2-OD1 3.01Å; R494-D522 IonicContact NH2-OD2 2.89Å
495	K	96.8	Very high	95.7	Very high	53 Å²	53	22.1 Å²	22.1	23%	0.23	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.5	171.9	-65.3	174.6	-175.1	169.3	0	110.3	A491 V492 Q493 Y497 Y519	A491-K495 VanDerWaalsContact CA-O 3.32Å; A491-K495 WeakPolarHBondContact CA-O 3.35Å; V492-K495 PolarHBondContact N-O 2.62Å; V492-K495 PolarHBondContact O-N 3.08Å; Q493-K495 PolarHBondContact O-N 3.19Å; Q493-K495 VanDerWaalsContact O-N 3.08Å; K495-Y497 HydrophobicContact CB-CD2 4.43Å; K495-Y497 HydrophobicContact CB-CE2 3.71Å; K495-Y519 CarbonylContact C-O 3.59Å; K495-Y519 WeakPolarHBondContact CA-O 3.39Å
496	L	98.4	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.9	167.9	-53.8	175.9	0	0	0	108.9	A444 W449 L464 M489 A490 A491 S518 Y519 M521	A444-L496 HydrophobicContact CB-CD2 4.17Å; W449-L496 HydrophobicContact CB-CD1 3.99Å; W449-L496 HydrophobicContact CD2-CD1 3.67Å; W449-L496 HydrophobicContact CE3-CD1 3.54Å; W449-L496 HydrophobicContact CG-CD1 3.86Å; W449-L496 HydrophobicContact CG-CD2 4.43Å; W449-L496 HydrophobicContact CZ3-CD1 4.19Å; L464-L496 HydrophobicContact CD1-CD1 4.24Å; M489-L496 HydrophobicContact SD-CB 4.43Å; M489-L496 HydrophobicContact SD-CD1 4.23Å; A490-L496 CarbonylContact O-C 3.18Å; A490-L496 WeakPolarHBondContact O-CA 3.4Å; A491-L496 HydrophobicContact CB-CD2 3.67Å; L496-S518 CarbonylContact O-C 3.53Å; L496-S518 VanDerWaalsContact O-CA 3.23Å; L496-S518 WeakPolarHBondContact O-CA 3.43Å; L496-Y519 HydrophobicContact CB-CD1 4.37Å; L496-Y519 HydrophobicContact CD1-CD1 3.8Å; L496-Y519 HydrophobicContact CD1-CE1 4.34Å; L496-Y519 HydrophobicContact CG-CD1 4.09Å; L496-Y519 PolarHBondContact N-O 2.95Å; L496-Y519 PolarHBondContact O-N 3.46Å; L496-M521 HydrophobicContact CD1-CG 4.48Å; L496-M521 HydrophobicContact CD1-SD 4.39Å; L496-M521 HydrophobicContact CD2-CE 4.38Å; L496-M521 HydrophobicContact CD2-SD 3.87Å; L496-M521 HydrophobicContact CG-CG 4.08Å; L496-M521 HydrophobicContact CG-SD 3.94Å
497	Y	98.1	Very high	95.1	Very high	10 Å²	10	34 Å²	34	4%	0.039	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.5	175.7	-66.9	-94.9	0	0	0	109.1	M489 A490 V492 K495 I516 D517 I549 L569 V571	M489-Y497 VanDerWaalsContact CA-O 3.26Å; M489-Y497 WeakPolarHBondContact CA-O 3.4Å; A490-Y497 PolarHBondContact N-O 3.14Å; A490-Y497 PolarHBondContact O-N 3.06Å; V492-Y497 HydrophobicContact CB-CE2 4.19Å; K495-Y497 HydrophobicContact CB-CD2 4.43Å; K495-Y497 HydrophobicContact CB-CE2 3.71Å; Y497-I516 HydrophobicContact CD1-CG2 4.14Å; Y497-D517 WeakPolarHBondContact CA-O 3.32Å; Y497-I549 HydrophobicContact CD2-CD1 3.76Å; Y497-I549 HydrophobicContact CG-CD1 3.86Å; Y497-L569 HydrophobicContact CD1-CD2 4.18Å; Y497-V571 HydrophobicContact CE1-CG1 4.03Å; Y497-V571 HydrophobicContact CE2-CG2 4.25Å
498	V	97.8	Very high	94.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.9	175.9	169.7	0	0	0	0	109.7	M480 H487 M489 D517 W526	M480-V498 HydrophobicContact SD-CB 4.39Å; M480-V498 HydrophobicContact SD-CG1 3.94Å; M480-V498 HydrophobicContact SD-CG2 3.95Å; H487-V498 HydrophobicContact CB-CG1 4.43Å; H487-V498 VanDerWaalsContact CD2-CG1 3.45Å; H487-V498 WeakPolarHBondContact CD2-CG1 3.36Å; M489-V498 HydrophobicContact CB-CG2 4.46Å; M489-V498 HydrophobicContact CG-CG2 4.12Å; M489-V498 HydrophobicContact SD-CG2 4.17Å; V498-D517 PolarHBondContact N-O 3.15Å; V498-D517 PolarHBondContact O-N 3.11Å; V498-W526 HydrophobicContact CB-CH2 4.42Å; V498-W526 HydrophobicContact CB-CZ3 4.26Å; V498-W526 HydrophobicContact CG2-CH2 3.58Å; V498-W526 HydrophobicContact CG2-CZ3 3.88Å
499	L	96.9	Very high	94.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.5	-164.6	-52.1	172	0	0	0	110.5	H487 S488 I516 L533 I549 L551 L569	H487-L499 WeakPolarHBondContact CB-O 3.37Å; S488-L499 PolarHBondContact N-O 2.86Å; S488-L499 PolarHBondContact O-N 3.05Å; L499-I516 HydrophobicContact CD2-CB 4.14Å; L499-I516 HydrophobicContact CD2-CD1 3.89Å; L499-I516 HydrophobicContact CD2-CG1 3.66Å; L499-I516 HydrophobicContact CD2-CG2 3.53Å; L499-L533 HydrophobicContact CB-CD1 4.46Å; L499-I549 HydrophobicContact CD1-CB 4.48Å; L499-I549 HydrophobicContact CD1-CG2 3.63Å; L499-L551 HydrophobicContact CB-CD1 4.47Å; L499-L551 HydrophobicContact CB-CD2 4.45Å; L499-L569 HydrophobicContact CD2-CD2 4.01Å
500	G	95.1	Very high	94	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.01	23%	0.233	C	C	.	.			trans	67.4	-152.4	172	0	0	0	0	0	113.7	R484 H487 V513 L533 Q537	R484-G500 PolarHBondContact NH1-O 3.13Å; R484-G500 VanDerWaalsContact NH1-O 3.12Å; H487-G500 WeakPolarHBondContact CB-O 3.4Å; G500-V513 CarbonylContact C-O 3.57Å; G500-V513 VanDerWaalsContact CA-O 3.22Å; G500-V513 WeakPolarHBondContact CA-O 3.35Å; G500-L533 VanDerWaalsContact N-CD1 3.34Å; G500-Q537 WeakPolarHBondContact CA-O 3.39Å
501	G	95.3	Very high	93.7	Very high	1 Å²	1	53 Å²	53	1%	0.01	25%	0.246	C	C	.	.			trans	85	-172	-178.9	0	0	0	0	0	113.7	V485 V513 Q537	V485-G501 CarbonylContact O-C 3.59Å; V485-G501 VanDerWaalsContact O-CA 3.23Å; V485-G501 WeakPolarHBondContact O-CA 3.45Å; G501-V513 PolarHBondContact O-N 2.92Å; G501-Q537 PolarHBondContact N-O 3.08Å
502	N	93.8	Very high	93.4	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.6	179.7	-43	-55.4	0	0	0	111.6	R484 V485 I511 L512 N538	R484-N502 WeakPolarHBondContact CA-O 3.42Å; V485-N502 HydrophobicContact CG2-CB 3.99Å; V485-N502 WeakPolarHBondContact CG2-O 3.26Å; V485-N502 PolarHBondContact N-O 3.24Å; V485-N502 PolarHBondContact O-N 2.85Å; N502-I511 CarbonylContact C-O 3.52Å; N502-I511 WeakPolarHBondContact CA-O 3.3Å; N502-L512 WeakPolarHBondContact OD1-CD2 3.36Å; N502-N538 VanDerWaalsContact CG-ND2 3.31Å; N502-N538 PolarHBondContact ND2-ND2 3.03Å; N502-N538 PolarHBondContact OD1-ND2 3.31Å
503	D	94.4	Very high	93.3	Very high	11 Å²	11	53 Å²	53	6%	0.059	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	179.6	163	-163.8	2.6	0	0	0	109.2	Q482 R483 R510 I511 V513	Q482-D503 WeakPolarHBondContact CG-OD2 3.48Å; Q482-D503 PolarHBondContact NE2-OD2 2.91Å; R483-D503 IonicContact CZ-OD1 3.67Å; R483-D503 IonicContact NE-OD1 3.55Å; R483-D503 PolarHBondContact NE-OD1 2.82Å; R483-D503 VanDerWaalsContact NE-OD1 3.15Å; R483-D503 IonicContact NH2-OD1 2.85Å; R483-D503 PolarHBondContact NH2-OD1 3.36Å; R483-D503 VanDerWaalsContact NH2-OD1 3.1Å; R483-D503 WeakPolarHBondContact O-CB 3.15Å; R483-D503 VanDerWaalsContact O-CG 3.24Å; D503-R510 WeakPolarHBondContact O-CA 3.29Å; D503-I511 HydrophobicContact CB-CD1 4.33Å; D503-I511 HydrophobicContact CB-CG1 4.06Å; D503-I511 PolarHBondContact N-O 2.96Å; D503-I511 PolarHBondContact O-N 2.95Å; D503-V513 HydrophobicContact CB-CG2 4Å
504	L	92.9	Very high	93.4	Very high	32 Å²	32	53.2 Å²	53.2	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.9	169.3	-60.2	177.8	0	0	0	109.5	Y460 R483 D509 R510	Y460-L504 HydrophobicContact CD1-CD1 4.44Å; Y460-L504 HydrophobicContact CD2-CD1 4.33Å; Y460-L504 HydrophobicContact CD2-CG 3.88Å; Y460-L504 HydrophobicContact CE1-CD1 4.37Å; Y460-L504 HydrophobicContact CE2-CD1 4.25Å; Y460-L504 HydrophobicContact CE2-CD2 3.93Å; Y460-L504 HydrophobicContact CE2-CG 3.62Å; Y460-L504 HydrophobicContact CG-CD1 4.42Å; Y460-L504 HydrophobicContact CG-CG 4.46Å; R483-L504 PolarHBondContact NH2-O 2.9Å; R483-L504 VanDerWaalsContact NH2-O 3.12Å; L504-D509 WeakPolarHBondContact CA-O 3.16Å; L504-R510 HydrophobicContact CD2-CG 3.98Å
505	D	89.4	Confident	93.5	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.214	24%	0.237	C	C	.	.			trans	-76.8	-172.1	170.7	78.4	-2.4	0	0	0	112.1	N507 N508 D509 I511	D505-N507 PolarHBondContact O-N 2.9Å; D505-N507 WeakPolarHBondContact OD1-CA 3.36Å; D505-N507 WeakPolarHBondContact OD1-CB 3.48Å; D505-N507 PolarHBondContact OD1-N 2.86Å; D505-N508 PolarHBondContact O-N 2.92Å; D505-N508 VanDerWaalsContact O-N 3.11Å; D505-N508 PolarHBondContact OD1-N 2.84Å; D505-N508 VanDerWaalsContact OD1-N 3.15Å; D505-D509 PolarHBondContact N-O 3.1Å; D505-D509 PolarHBondContact OD1-N 3.01Å; D505-I511 HydrophobicContact CB-CD1 4.41Å; D505-I511 HydrophobicContact CB-CG2 4.04Å
506	Y	88.1	Confident	93.5	Very high	202 Å²	202	49.3 Å²	49.3	79%	0.792	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.1	-179.7	61	-87	0	0	0	113.7
507	N	91.9	Very high	93.4	Very high	90 Å²	90	49.3 Å²	49.3	48%	0.481	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	1.9	175.5	-63.5	-39.7	0	0	0	112.6	D505	D505-N507 PolarHBondContact O-N 2.9Å; D505-N507 WeakPolarHBondContact OD1-CA 3.36Å; D505-N507 WeakPolarHBondContact OD1-CB 3.48Å; D505-N507 PolarHBondContact OD1-N 2.86Å
508	N	88.7	Confident	93.4	Very high	120 Å²	120	49.6 Å²	49.6	64%	0.642	23%	0.229	S	C	*	.	S	Bend	trans	63.7	23.8	-167.9	-63.9	-39.8	0	0	0	114.3	D505	D505-N508 PolarHBondContact O-N 2.92Å; D505-N508 VanDerWaalsContact O-N 3.11Å; D505-N508 PolarHBondContact OD1-N 2.84Å; D505-N508 VanDerWaalsContact OD1-N 3.15Å
509	D	90.2	Very high	93.4	Very high	97 Å²	97	49.6 Å²	49.6	52%	0.519	23%	0.229	S	C	.	.			trans	-82.5	144.2	171.3	-69.5	-41.8	0	0	0	110.6	L504 D505 I511	L504-D509 WeakPolarHBondContact CA-O 3.16Å; D505-D509 PolarHBondContact N-O 3.1Å; D505-D509 PolarHBondContact OD1-N 3.01Å; D509-I511 PolarHBondContact O-N 2.75Å
510	R	90.8	Very high	93.4	Very high	148 Å²	148	51.7 Å²	51.7	56%	0.558	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	127	-179.9	-68.1	-179.1	179.1	-174.3	0.3	110.4	D503 L504 I557	D503-R510 WeakPolarHBondContact O-CA 3.29Å; L504-R510 HydrophobicContact CD2-CG 3.98Å; R510-I557 HydrophobicContact CB-CD1 3.97Å
511	I	92.3	Very high	93.5	Very high	53 Å²	53	52.5 Å²	52.5	27%	0.272	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.8	175.6	58.3	168	0	0	0	110.9	N502 D503 D505 D509	N502-I511 CarbonylContact C-O 3.52Å; N502-I511 WeakPolarHBondContact CA-O 3.3Å; D503-I511 HydrophobicContact CB-CD1 4.33Å; D503-I511 HydrophobicContact CB-CG1 4.06Å; D503-I511 PolarHBondContact N-O 2.96Å; D503-I511 PolarHBondContact O-N 2.95Å; D505-I511 HydrophobicContact CB-CD1 4.41Å; D505-I511 HydrophobicContact CB-CG2 4.04Å; D509-I511 PolarHBondContact O-N 2.75Å
512	L	91	Very high	93.6	Very high	25 Å²	25	57.4 Å²	57.4	13%	0.131	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.3	172.2	-74.9	167.7	0	0	0	110.7	N502 G536 I557 W558	N502-L512 WeakPolarHBondContact OD1-CD2 3.36Å; L512-G536 WeakPolarHBondContact CD1-O 3.38Å; L512-I557 HydrophobicContact CD1-CG1 3.87Å; L512-I557 HydrophobicContact CD2-CD1 4.31Å; L512-I557 HydrophobicContact CD2-CG1 4.12Å; L512-I557 HydrophobicContact CG-CD1 3.85Å; L512-I557 HydrophobicContact CG-CG1 3.66Å; L512-W558 HydrophobicContact CD1-CG 4.29Å
513	V	92.9	Very high	93.7	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.018	29%	0.294	C	S	.	.			trans	-97.1	107.7	176.6	-170.7	0	0	0	0	109.5	G500 G501 D503 H515	G500-V513 CarbonylContact C-O 3.57Å; G500-V513 VanDerWaalsContact CA-O 3.22Å; G500-V513 WeakPolarHBondContact CA-O 3.35Å; G501-V513 PolarHBondContact O-N 2.92Å; D503-V513 HydrophobicContact CB-CG2 4Å; V513-H515 HydrophobicContact CG1-CB 4.35Å
514	R	93.1	Very high	93.9	Very high	121 Å²	121	62.4 Å²	62.4	46%	0.457	30%	0.3	S	S	.	.			trans	-87.2	-22.2	174.8	-72.8	-175.7	170.9	-158.2	-6.3	113.7	L533 L534	R514-L533 PolarHBondContact O-N 3.17Å; R514-L534 PolarHBondContact NH1-O 2.89Å
515	H	94.9	Very high	94.1	Very high	78 Å²	78	66.1 Å²	66.1	36%	0.361	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.1	-178.8	-65.8	-63.2	0	0	0	111.7	R484 V513 R528 N532	R484-H515 PolarHBondContact NH1-O 3.13Å; R484-H515 PolarHBondContact NH2-O 3.13Å; V513-H515 HydrophobicContact CG1-CB 4.35Å; H515-R528 VanDerWaalsContact CB-NH1 3.34Å; H515-R528 PolarHBondContact CD2-NH1 2.83Å; H515-R528 PolarHBondContact ND1-NH1 2.75Å; H515-R528 PolarHBondContact NE2-NH1 3.42Å; H515-N532 WeakPolarHBondContact CA-OD1 3.43Å; H515-N532 PolarHBondContact ND1-OD1 2.92Å
516	I	96.6	Very high	94.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.5	176.3	-60.5	172.3	0	0	0	107.4	Y497 L499 C529 F531 L533 L569 V579	Y497-I516 HydrophobicContact CD1-CG2 4.14Å; L499-I516 HydrophobicContact CD2-CB 4.14Å; L499-I516 HydrophobicContact CD2-CD1 3.89Å; L499-I516 HydrophobicContact CD2-CG1 3.66Å; L499-I516 HydrophobicContact CD2-CG2 3.53Å; I516-C529 HydrophobicContact CB-CB 4.11Å; I516-C529 HydrophobicContact CG2-CB 4.2Å; I516-C529 WeakPolarHBondContact O-CB 3.2Å; I516-C529 PolarHBondContact O-N 3.02Å; I516-F531 HydrophobicContact CD1-CD2 3.81Å; I516-F531 HydrophobicContact CD1-CE2 3.87Å; I516-F531 HydrophobicContact CG2-CE2 4.34Å; I516-L533 HydrophobicContact CD1-CD2 4.09Å; I516-L533 HydrophobicContact CD1-CG 4.17Å; I516-L533 HydrophobicContact CG1-CG 4.17Å; I516-L569 HydrophobicContact CD1-CD2 4.4Å; I516-V579 HydrophobicContact CD1-CG2 4.13Å
517	D	97.6	Very high	95	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133	173.8	-63.4	-40.8	0	0	0	108.3	R484 Y497 V498 W526 R528	R484-D517 IonicContact CZ-OD2 2.94Å; R484-D517 IonicContact NE-OD2 3.81Å; R484-D517 IonicContact NH2-OD2 3.69Å; R484-D517 PolarHBondContact NH2-OD2 3.3Å; Y497-D517 WeakPolarHBondContact CA-O 3.32Å; V498-D517 PolarHBondContact N-O 3.15Å; V498-D517 PolarHBondContact O-N 3.11Å; D517-W526 HydrophobicContact CB-CE3 3.79Å; D517-W526 HydrophobicContact CB-CZ3 3.97Å; D517-R528 VanDerWaalsContact OD1-CD 3.26Å; D517-R528 WeakPolarHBondContact OD1-CD 3.41Å; D517-R528 IonicContact OD1-CZ 2.76Å; D517-R528 IonicContact OD1-NE 3.44Å; D517-R528 PolarHBondContact OD1-NE 2.83Å; D517-R528 IonicContact OD1-NH2 3.33Å
518	S	97.6	Very high	95.2	Very high	15 Å²	15	59.8 Å²	59.8	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.6	174.1	65.8	0	0	0	0	110.2	L496 W526 T527	L496-S518 CarbonylContact O-C 3.53Å; L496-S518 VanDerWaalsContact O-CA 3.23Å; L496-S518 WeakPolarHBondContact O-CA 3.43Å; S518-W526 CarbonylContact O-C 3.6Å; S518-W526 WeakPolarHBondContact O-CA 3.38Å; S518-T527 PolarHBondContact N-O 2.85Å; S518-T527 PolarHBondContact O-N 3.12Å; S518-T527 PolarHBondContact OG-O 2.95Å
519	Y	98.5	Very high	95.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.7	176.9	171.3	-98.8	0	0	0	109.4	W449 L464 K495 L496 M521 D524 Q525 W526	W449-Y519 HydrophobicContact CE3-CE1 4.5Å; W449-Y519 HydrophobicContact CH2-CE1 4.01Å; W449-Y519 AromaticContact CZ3-CE1 3.65Å; W449-Y519 HydrophobicContact CZ3-CE1 3.65Å; L464-Y519 HydrophobicContact CD2-CD1 3.86Å; L464-Y519 HydrophobicContact CD2-CD2 3.84Å; L464-Y519 HydrophobicContact CD2-CE1 3.66Å; L464-Y519 HydrophobicContact CD2-CE2 3.64Å; L464-Y519 HydrophobicContact CD2-CG 3.93Å; K495-Y519 CarbonylContact C-O 3.59Å; K495-Y519 WeakPolarHBondContact CA-O 3.39Å; L496-Y519 HydrophobicContact CB-CD1 4.37Å; L496-Y519 HydrophobicContact CD1-CD1 3.8Å; L496-Y519 HydrophobicContact CD1-CE1 4.34Å; L496-Y519 HydrophobicContact CG-CD1 4.09Å; L496-Y519 PolarHBondContact N-O 2.95Å; L496-Y519 PolarHBondContact O-N 3.46Å; Y519-M521 HydrophobicContact CD1-CG 3.93Å; Y519-M521 HydrophobicContact CE1-CB 4.31Å; Y519-M521 HydrophobicContact CE1-CG 3.85Å; Y519-D524 VanDerWaalsContact CE2-OD1 3.31Å; Y519-D524 WeakPolarHBondContact CE2-OD1 3.48Å; Y519-D524 WeakPolarHBondContact OH-CA 3.48Å; Y519-D524 VanDerWaalsContact OH-CG 3.26Å; Y519-D524 PolarHBondContact OH-OD1 2.92Å; Y519-Q525 WeakPolarHBondContact CA-O 3.42Å; Y519-W526 AromaticContact CD2-CD1 3.69Å; Y519-W526 AromaticContact CD2-CD2 3.94Å; Y519-W526 HydrophobicContact CD2-CD2 3.94Å; Y519-W526 AromaticContact CD2-CE2 3.59Å; Y519-W526 AromaticContact CD2-CG 4Å; Y519-W526 HydrophobicContact CD2-CG 4Å; Y519-W526 HydrophobicContact CD2-CZ2 4.12Å; Y519-W526 AromaticContact CD2-NE1 3.42Å; Y519-W526 HydrophobicContact CG-CD2 4.24Å; Y519-W526 AromaticContact CG-CE2 3.92Å; Y519-W526 HydrophobicContact CG-CH2 4.44Å; Y519-W526 HydrophobicContact CG-CZ2 4.05Å
520	N	97.4	Very high	95.7	Very high	46 Å²	46	55.8 Å²	55.8	25%	0.246	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	117.1	174.6	-177.3	-40.1	0	0	0	109.2	D522 T523 D524 Q525	N520-D522 VanDerWaalsContact C-N 3.26Å; N520-D522 PolarHBondContact O-N 2.95Å; N520-D522 WeakPolarHBondContact OD1-CA 3.41Å; N520-D522 WeakPolarHBondContact OD1-CB 3.47Å; N520-D522 PolarHBondContact OD1-N 3.44Å; N520-T523 WeakPolarHBondContact CB-OG1 3.38Å; N520-T523 PolarHBondContact OD1-N 3.39Å; N520-T523 VanDerWaalsContact OD1-N 3.14Å; N520-D524 PolarHBondContact O-N 2.8Å; N520-Q525 PolarHBondContact N-O 3.36Å
521	M	96.9	Very high	95.8	Very high	18 Å²	18	50.3 Å²	50.3	9%	0.089	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.3	-176.2	-65.3	-169.2	-79	0	0	113.6	A444 W449 R494 L496 Y519	A444-M521 HydrophobicContact CB-CE 3.97Å; A444-M521 HydrophobicContact CB-SD 4.07Å; W449-M521 HydrophobicContact CH2-CG 4.23Å; W449-M521 HydrophobicContact CH2-SD 4.34Å; W449-M521 HydrophobicContact CZ2-CG 4.16Å; W449-M521 HydrophobicContact CZ2-SD 3.7Å; R494-M521 HydrophobicContact CB-CE 4.08Å; R494-M521 WeakPolarHBondContact O-CB 3.3Å; R494-M521 VanDerWaalsContact O-CE 3.22Å; R494-M521 WeakPolarHBondContact O-CE 3.46Å; R494-M521 WeakPolarHBondContact O-CG 3.46Å; R494-M521 PolarHBondContact O-N 2.93Å; L496-M521 HydrophobicContact CD1-CG 4.48Å; L496-M521 HydrophobicContact CD1-SD 4.39Å; L496-M521 HydrophobicContact CD2-CE 4.38Å; L496-M521 HydrophobicContact CD2-SD 3.87Å; L496-M521 HydrophobicContact CG-CG 4.08Å; L496-M521 HydrophobicContact CG-SD 3.94Å; Y519-M521 HydrophobicContact CD1-CG 3.93Å; Y519-M521 HydrophobicContact CE1-CB 4.31Å; Y519-M521 HydrophobicContact CE1-CG 3.85Å
522	D	96.1	Very high	95.9	Very high	104 Å²	104	50.9 Å²	50.9	56%	0.556	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-38.1	179.6	-61.5	-50	0	0	0	112.2	R494 N520	R494-D522 IonicContact CZ-OD1 3.48Å; R494-D522 VanDerWaalsContact CZ-OD1 3.24Å; R494-D522 IonicContact CZ-OD2 3.62Å; R494-D522 IonicContact NE-OD1 3.29Å; R494-D522 PolarHBondContact NE-OD1 3.05Å; R494-D522 IonicContact NE-OD2 3.4Å; R494-D522 PolarHBondContact NE-OD2 3.23Å; R494-D522 IonicContact NH2-OD1 3.55Å; R494-D522 PolarHBondContact NH2-OD1 3.01Å; R494-D522 IonicContact NH2-OD2 2.89Å; N520-D522 VanDerWaalsContact C-N 3.26Å; N520-D522 PolarHBondContact O-N 2.95Å; N520-D522 WeakPolarHBondContact OD1-CA 3.41Å; N520-D522 WeakPolarHBondContact OD1-CB 3.47Å; N520-D522 PolarHBondContact OD1-N 3.44Å
523	T	97.2	Very high	96.1	Very high	81 Å²	81	50 Å²	50	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-8.8	-176.9	63.8	0	0	0	0	114	N520 Q525	N520-T523 WeakPolarHBondContact CB-OG1 3.38Å; N520-T523 PolarHBondContact OD1-N 3.39Å; N520-T523 VanDerWaalsContact OD1-N 3.14Å; T523-Q525 VanDerWaalsContact C-N 3.29Å; T523-Q525 WeakPolarHBondContact O-CG 3.27Å; T523-Q525 PolarHBondContact O-N 2.85Å
524	D	97.6	Very high	96	Very high	38 Å²	38	53 Å²	53	20%	0.203	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	42.5	-175.9	-159.3	-11	0	0	0	112.1	R477 S478 Y519 N520	R477-D524 WeakPolarHBondContact CD-OD2 3.33Å; R477-D524 IonicContact NH1-OD2 3.92Å; S478-D524 VanDerWaalsContact CB-O 3.27Å; S478-D524 WeakPolarHBondContact CB-O 3.47Å; S478-D524 WeakPolarHBondContact CB-OD1 3.37Å; S478-D524 PolarHBondContact N-OD1 3.19Å; S478-D524 PolarHBondContact OG-O 3.34Å; S478-D524 PolarHBondContact OG-OD1 3.18Å; Y519-D524 VanDerWaalsContact CE2-OD1 3.31Å; Y519-D524 WeakPolarHBondContact CE2-OD1 3.48Å; Y519-D524 WeakPolarHBondContact OH-CA 3.48Å; Y519-D524 VanDerWaalsContact OH-CG 3.26Å; Y519-D524 PolarHBondContact OH-OD1 2.92Å; N520-D524 PolarHBondContact O-N 2.8Å
525	Q	97.9	Very high	95.8	Very high	110 Å²	110	48.9 Å²	48.9	51%	0.514	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.6	-176.9	-66.8	-56.6	-51.4	0	0	112.7	Y519 N520 T523	Y519-Q525 WeakPolarHBondContact CA-O 3.42Å; N520-Q525 PolarHBondContact N-O 3.36Å; T523-Q525 VanDerWaalsContact C-N 3.29Å; T523-Q525 WeakPolarHBondContact O-CG 3.27Å; T523-Q525 PolarHBondContact O-N 2.85Å
526	W	98.4	Very high	95.4	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.076	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.8	172.4	-72.9	92.9	0	0	0	111.7	L464 S478 P479 M480 L481 V498 D517 S518 Y519	L464-W526 HydrophobicContact CB-CZ2 4.38Å; L464-W526 HydrophobicContact CD1-CZ2 4.21Å; L464-W526 HydrophobicContact CD2-CZ2 3.82Å; L464-W526 HydrophobicContact CG-CZ2 4.36Å; S478-W526 PolarHBondContact O-NE1 2.84Å; P479-W526 PolarHBondContact O-NE1 2.79Å; M480-W526 HydrophobicContact CB-CZ2 4.34Å; M480-W526 HydrophobicContact CG-CH2 3.74Å; M480-W526 HydrophobicContact CG-CZ2 3.44Å; M480-W526 VanDerWaalsContact CG-CZ2 3.44Å; M480-W526 HydrophobicContact CG-CZ3 4.39Å; M480-W526 HydrophobicContact SD-CH2 4.37Å; L481-W526 HydrophobicContact CD1-CB 4.25Å; L481-W526 HydrophobicContact CD2-CB 3.8Å; L481-W526 HydrophobicContact CG-CB 3.75Å; V498-W526 HydrophobicContact CB-CH2 4.42Å; V498-W526 HydrophobicContact CB-CZ3 4.26Å; V498-W526 HydrophobicContact CG2-CH2 3.58Å; V498-W526 HydrophobicContact CG2-CZ3 3.88Å; D517-W526 HydrophobicContact CB-CE3 3.79Å; D517-W526 HydrophobicContact CB-CZ3 3.97Å; S518-W526 CarbonylContact O-C 3.6Å; S518-W526 WeakPolarHBondContact O-CA 3.38Å; Y519-W526 AromaticContact CD2-CD1 3.69Å; Y519-W526 AromaticContact CD2-CD2 3.94Å; Y519-W526 HydrophobicContact CD2-CD2 3.94Å; Y519-W526 AromaticContact CD2-CE2 3.59Å; Y519-W526 AromaticContact CD2-CG 4Å; Y519-W526 HydrophobicContact CD2-CG 4Å; Y519-W526 HydrophobicContact CD2-CZ2 4.12Å; Y519-W526 AromaticContact CD2-NE1 3.42Å; Y519-W526 HydrophobicContact CG-CD2 4.24Å; Y519-W526 AromaticContact CG-CE2 3.92Å; Y519-W526 HydrophobicContact CG-CH2 4.44Å; Y519-W526 HydrophobicContact CG-CZ2 4.05Å
527	T	97.3	Very high	95.2	Very high	86 Å²	86	45.3 Å²	45.3	53%	0.528	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.5	175.5	-55.7	0	0	0	0	109.6	S518 C529	S518-T527 PolarHBondContact N-O 2.85Å; S518-T527 PolarHBondContact O-N 3.12Å; S518-T527 PolarHBondContact OG-O 2.95Å; T527-C529 PolarHBondContact O-N 3.11Å
528	R	97.3	Very high	95	Very high	92 Å²	92	45.5 Å²	45.5	35%	0.347	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.8	170.6	177.4	65.9	61.7	101.1	-3.4	109	L481 H515 D517	L481-R528 HydrophobicContact CD1-CB 4.1Å; H515-R528 VanDerWaalsContact CB-NH1 3.34Å; H515-R528 PolarHBondContact CD2-NH1 2.83Å; H515-R528 PolarHBondContact ND1-NH1 2.75Å; H515-R528 PolarHBondContact NE2-NH1 3.42Å; D517-R528 VanDerWaalsContact OD1-CD 3.26Å; D517-R528 WeakPolarHBondContact OD1-CD 3.41Å; D517-R528 IonicContact OD1-CZ 2.76Å; D517-R528 IonicContact OD1-NE 3.44Å; D517-R528 PolarHBondContact OD1-NE 2.83Å; D517-R528 IonicContact OD1-NH2 3.33Å
529	C	95.4	Very high	94.9	Very high	18 Å²	18	46.6 Å²	46.6	12%	0.122	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	149.9	175.5	-63.9	0	0	0	0	110.8	I516 T527 F531	I516-C529 HydrophobicContact CB-CB 4.11Å; I516-C529 HydrophobicContact CG2-CB 4.2Å; I516-C529 WeakPolarHBondContact O-CB 3.2Å; I516-C529 PolarHBondContact O-N 3.02Å; T527-C529 PolarHBondContact O-N 3.11Å; C529-F531 HydrophobicContact CB-CD1 4.2Å; C529-F531 HydrophobicContact CB-CD2 4.27Å; C529-F531 HydrophobicContact CB-CE1 3.85Å; C529-F531 HydrophobicContact CB-CE2 3.9Å; C529-F531 HydrophobicContact CB-CG 4.4Å; C529-F531 HydrophobicContact CB-CZ 3.7Å; C529-F531 PolarHBondContact O-N 2.98Å
530	S	93.3	Very high	94.7	Very high	115 Å²	115	47.3 Å²	47.3	80%	0.804	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	-18.3	177	51.8	0	0	0	0	113.3
531	F	92	Very high	94.6	Very high	34 Å²	34	45.3 Å²	45.3	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	161	177.6	53.6	-91.4	0	0	0	111.3	I516 C529 L569 V571 E577 V579	I516-F531 HydrophobicContact CD1-CD2 3.81Å; I516-F531 HydrophobicContact CD1-CE2 3.87Å; I516-F531 HydrophobicContact CG2-CE2 4.34Å; C529-F531 HydrophobicContact CB-CD1 4.2Å; C529-F531 HydrophobicContact CB-CD2 4.27Å; C529-F531 HydrophobicContact CB-CE1 3.85Å; C529-F531 HydrophobicContact CB-CE2 3.9Å; C529-F531 HydrophobicContact CB-CG 4.4Å; C529-F531 HydrophobicContact CB-CZ 3.7Å; C529-F531 PolarHBondContact O-N 2.98Å; F531-L569 HydrophobicContact CD2-CD1 3.96Å; F531-L569 HydrophobicContact CE2-CD1 3.28Å; F531-L569 HydrophobicContact CE2-CD2 4.31Å; F531-L569 HydrophobicContact CE2-CG 4.45Å; F531-L569 HydrophobicContact CZ-CD1 3.91Å; F531-V571 HydrophobicContact CZ-CG1 4.46Å; F531-E577 HydrophobicContact CD1-CB 3.97Å; F531-E577 HydrophobicContact CE1-CB 3.36Å; F531-E577 HydrophobicContact CE1-CG 3.96Å; F531-E577 HydrophobicContact CZ-CB 3.76Å; F531-E577 HydrophobicContact CZ-CG 4.25Å; F531-V579 HydrophobicContact CD2-CG2 3.84Å; F531-V579 HydrophobicContact CE2-CG2 4.47Å
532	N	95.1	Very high	94.6	Very high	65 Å²	65	46 Å²	46	35%	0.348	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164.5	-174.6	-59.5	-65.8	0	0	0	110.7	H515	H515-N532 WeakPolarHBondContact CA-OD1 3.43Å; H515-N532 PolarHBondContact ND1-OD1 2.92Å
533	L	94.3	Very high	94.6	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	23%	0.227	C	C	.	.			trans	-62.1	140.5	166.7	-66.1	176	0	0	0	110.6	L499 G500 R514 I516 T535 L551	L499-L533 HydrophobicContact CB-CD1 4.46Å; G500-L533 VanDerWaalsContact N-CD1 3.34Å; R514-L533 PolarHBondContact O-N 3.17Å; I516-L533 HydrophobicContact CD1-CD2 4.09Å; I516-L533 HydrophobicContact CD1-CG 4.17Å; I516-L533 HydrophobicContact CG1-CG 4.17Å; L533-T535 VanDerWaalsContact C-N 3.31Å; L533-T535 WeakPolarHBondContact CB-O 3.43Å; L533-T535 PolarHBondContact O-N 3.06Å; L533-L551 HydrophobicContact CD1-CD2 3.95Å; L533-L551 HydrophobicContact CD2-CD2 4.06Å
534	L	92.6	Very high	94.5	Very high	65 Å²	65	39 Å²	39	34%	0.34	21%	0.213	S	C	.	.	S	Bend	trans	-64.7	-40	178	-56.7	175.8	0	0	0	110.8	R514 V579 Y581	R514-L534 PolarHBondContact NH1-O 2.89Å; L534-V579 HydrophobicContact CD1-CG1 4.36Å; L534-V579 HydrophobicContact CG-CG1 3.96Å; L534-Y581 HydrophobicContact CB-CE1 4.25Å; L534-Y581 HydrophobicContact CB-CE2 3.95Å; L534-Y581 WeakPolarHBondContact CB-OH 3.49Å; L534-Y581 HydrophobicContact CD1-CD1 4.19Å; L534-Y581 HydrophobicContact CD1-CD2 3.53Å; L534-Y581 HydrophobicContact CD1-CE1 4.13Å; L534-Y581 HydrophobicContact CD1-CE2 3.46Å; L534-Y581 VanDerWaalsContact CD1-CE2 3.46Å; L534-Y581 HydrophobicContact CD1-CG 3.91Å; L534-Y581 HydrophobicContact CG-CE2 4.33Å
535	T	88.5	Confident	94.3	Very high	35 Å²	35	38 Å²	38	22%	0.215	21%	0.208	C	C	.	.	S	Bend	trans	-128.1	139.6	174	-64.8	0	0	0	0	110.6	L533 L563 Q567 Y581	L533-T535 VanDerWaalsContact C-N 3.31Å; L533-T535 WeakPolarHBondContact CB-O 3.43Å; L533-T535 PolarHBondContact O-N 3.06Å; T535-L563 HydrophobicContact CG2-CD1 4.38Å; T535-Q567 VanDerWaalsContact N-OE1 3.17Å; T535-Q567 PolarHBondContact O-NE2 2.83Å; T535-Y581 PolarHBondContact OG1-OH 2.91Å
536	G	86.6	Confident	93.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.01	21%	0.213	C	C	.	.			trans	-75.1	127.3	173.4	0	0	0	0	0	109.2	L512	L512-G536 WeakPolarHBondContact CD1-O 3.38Å
537	Q	91.9	Very high	93.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	22%	0.218	C	C	.	.			trans	-147.6	151.4	-179	61.3	-169.4	46.6	0	0	111.1	G500 G501 S540 L551 G553 L563 C565	G500-Q537 WeakPolarHBondContact CA-O 3.39Å; G501-Q537 PolarHBondContact N-O 3.08Å; Q537-S540 WeakPolarHBondContact CG-OG 3.46Å; Q537-S540 PolarHBondContact NE2-OG 2.92Å; Q537-L551 HydrophobicContact CG-CD2 3.77Å; Q537-G553 VanDerWaalsContact CD-O 3.31Å; Q537-G553 PolarHBondContact NE2-O 2.95Å; Q537-L563 HydrophobicContact CB-CD1 3.45Å; Q537-L563 VanDerWaalsContact CB-CD1 3.45Å; Q537-L563 HydrophobicContact CG-CD1 4.45Å; Q537-C565 PolarHBondContact OE1-SG 2.84Å
538	N	93.2	Very high	93.5	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-126.4	171.2	172.8	67.2	38.2	0	0	0	109.9	Y486 N502 S540 G554 Y555 I557	Y486-N538 WeakPolarHBondContact O-CA 3.44Å; N502-N538 VanDerWaalsContact CG-ND2 3.31Å; N502-N538 PolarHBondContact ND2-ND2 3.03Å; N502-N538 PolarHBondContact OD1-ND2 3.31Å; N538-S540 PolarHBondContact O-N 3.12Å; N538-G554 CarbonylContact O-C 3.56Å; N538-G554 WeakPolarHBondContact O-CA 3.49Å; N538-Y555 PolarHBondContact N-O 2.9Å; N538-Y555 VanDerWaalsContact N-O 3.1Å; N538-Y555 PolarHBondContact O-N 3.25Å; N538-Y555 WeakPolarHBondContact OD1-CB 3.3Å; N538-Y555 PolarHBondContact OD1-O 3.32Å; N538-I557 WeakPolarHBondContact ND2-CG2 3.42Å
539	E	94.7	Very high	93.5	Very high	38 Å²	38	32.5 Å²	32.5	18%	0.178	19%	0.186	C	C	.	.	S	Bend	trans	56.4	26.1	176.8	-59.3	176.8	-177.7	0	0	114	H338 Y486 N590 G591	H338-E539 IonicContact NE2-OE2 2.84Å; H338-E539 PolarHBondContact NE2-OE2 3.17Å; Y486-E539 HydrophobicContact CD1-CG 3.63Å; Y486-E539 HydrophobicContact CE1-CG 4.28Å; Y486-E539 HydrophobicContact CG-CG 4.03Å; Y486-E539 PolarHBondContact O-N 3.09Å; E539-N590 HydrophobicContact CB-CB 4.3Å; E539-N590 PolarHBondContact OE2-ND2 3.5Å; E539-G591 PolarHBondContact O-N 3.04Å
540	S	95.3	Very high	93.5	Very high	15 Å²	15	32.2 Å²	32.2	11%	0.105	18%	0.183	C	C	.	.			trans	-77	151.1	176.2	-58.6	0	0	0	0	111.3	S488 Q537 N538 G553	S488-S540 PolarHBondContact OG-O 2.93Å; Q537-S540 WeakPolarHBondContact CG-OG 3.46Å; Q537-S540 PolarHBondContact NE2-OG 2.92Å; N538-S540 PolarHBondContact O-N 3.12Å; S540-G553 PolarHBondContact OG-O 3.08Å
541	G	95.8	Very high	93.6	Very high	4 Å²	4	26.9 Å²	26.9	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	153	161.2	0	0	0	0	0	110.3	V552 I592	G541-V552 PolarHBondContact N-O 2.97Å; G541-V552 PolarHBondContact O-N 3.17Å; G541-I592 VanDerWaalsContact CA-O 3.25Å; G541-I592 WeakPolarHBondContact CA-O 3.39Å; G541-I592 PolarHBondContact N-O 2.77Å
542	V	96.8	Very high	93.8	Very high	33 Å²	33	25.2 Å²	25.2	20%	0.2	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.2	177.3	66.3	0	0	0	0	110.6	A490 I549 Y550	A490-V542 HydrophobicContact CB-CG2 3.96Å; V542-I549 HydrophobicContact CG2-CG2 3.79Å; V542-Y550 WeakPolarHBondContact CA-O 3.44Å
543	A	96.3	Very high	93.7	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.4	175.6	0	0	0	0	0	110.2	L291 Y550 A594 F596	L291-A543 HydrophobicContact CD1-CB 3.9Å; A543-Y550 PolarHBondContact N-O 3.49Å; A543-Y550 PolarHBondContact O-N 2.67Å; A543-A594 HydrophobicContact CB-CB 4.03Å; A543-F596 HydrophobicContact CB-CD2 3.77Å; A543-F596 HydrophobicContact CB-CE2 3.91Å
544	V	95.2	Very high	93.7	Very high	33 Å²	33	21.8 Å²	21.8	20%	0.2	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.3	-178	-178.9	0	0	0	0	109.4	Y442 A490 V492 R548 I549 F596	Y442-V544 HydrophobicContact CE2-CG2 4.18Å; Y442-V544 WeakPolarHBondContact OH-CB 3.49Å; Y442-V544 VanDerWaalsContact OH-CG2 3.25Å; Y442-V544 WeakPolarHBondContact OH-CG2 3.4Å; A490-V544 HydrophobicContact CB-CG2 3.67Å; V492-V544 HydrophobicContact CG2-CG1 3.7Å; V544-R548 WeakPolarHBondContact CA-O 3.43Å; V544-I549 HydrophobicContact CG2-CG1 4.13Å; V544-I549 HydrophobicContact CG2-CG2 4.48Å; V544-F596 WeakPolarHBondContact O-CD2 3.41Å
545	H	92.7	Very high	93.7	Very high	19 Å²	19	21 Å²	21	9%	0.088	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	136.3	174.1	-176.2	66.8	0	0	0	110.8	D289 G547 R548 Y550 F596	D289-H545 IonicContact OD2-CE1 3.64Å; D289-H545 PolarHBondContact OD2-CE1 2.9Å; D289-H545 VanDerWaalsContact OD2-CE1 3.29Å; D289-H545 IonicContact OD2-ND1 2.66Å; H545-G547 VanDerWaalsContact C-N 3.29Å; H545-G547 PolarHBondContact O-N 3.4Å; H545-G547 VanDerWaalsContact O-N 3.16Å; H545-R548 PolarHBondContact N-O 3.35Å; H545-R548 WeakPolarHBondContact O-CA 3.08Å; H545-R548 WeakPolarHBondContact O-CB 3.35Å; H545-R548 PolarHBondContact O-N 2.94Å; H545-Y550 HydrophobicContact CB-CE2 4.31Å; H545-F596 HydrophobicContact CB-CD1 3.67Å; H545-F596 HydrophobicContact CB-CD2 3.52Å; H545-F596 HydrophobicContact CB-CE1 3.59Å; H545-F596 HydrophobicContact CB-CE2 3.44Å; H545-F596 VanDerWaalsContact CB-CE2 3.44Å; H545-F596 HydrophobicContact CB-CG 3.63Å; H545-F596 HydrophobicContact CB-CZ 3.48Å; H545-F596 VanDerWaalsContact CB-CZ 3.48Å; H545-F596 AromaticContact CD2-CE1 3.83Å; H545-F596 AromaticContact CG-CD1 3.67Å; H545-F596 AromaticContact CG-CE1 3.69Å; H545-F596 AromaticContact ND1-CD1 3.99Å
546	N	89.9	Confident	93.8	Very high	119 Å²	119	19.7 Å²	19.7	64%	0.636	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	44.1	176.3	-66.9	-13.9	0	0	0	115.2	R548	N546-R548 PolarHBondContact O-N 3.22Å
547	G	92.4	Very high	93.8	Very high	16 Å²	16	21.7 Å²	21.7	17%	0.165	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	10.7	179.7	0	0	0	0	0	114.8	H545 V571 S572	H545-G547 VanDerWaalsContact C-N 3.29Å; H545-G547 PolarHBondContact O-N 3.4Å; H545-G547 VanDerWaalsContact O-N 3.16Å; G547-V571 CarbonylContact O-C 3.58Å; G547-V571 VanDerWaalsContact O-CG2 3.25Å; G547-V571 WeakPolarHBondContact O-CG2 3.43Å; G547-V571 PolarHBondContact O-N 3.01Å; G547-S572 PolarHBondContact O-N 3.06Å
548	R	94.7	Very high	93.4	Very high	55 Å²	55	30.6 Å²	30.6	21%	0.208	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.9	176.1	-62.1	177.7	172.2	177.5	-5.4	111	V544 H545 N546 Y550 V568 L569 D570	V544-R548 WeakPolarHBondContact CA-O 3.43Å; H545-R548 PolarHBondContact N-O 3.35Å; H545-R548 WeakPolarHBondContact O-CA 3.08Å; H545-R548 WeakPolarHBondContact O-CB 3.35Å; H545-R548 PolarHBondContact O-N 2.94Å; N546-R548 PolarHBondContact O-N 3.22Å; R548-Y550 HydrophobicContact CB-CD2 4.38Å; R548-Y550 HydrophobicContact CB-CE2 3.68Å; R548-V568 HydrophobicContact CB-CG1 4.01Å; R548-V568 HydrophobicContact CG-CG1 4.39Å; R548-L569 CarbonylContact C-O 3.59Å; R548-L569 VanDerWaalsContact CA-O 3.28Å; R548-L569 WeakPolarHBondContact CA-O 3.46Å; R548-D570 HydrophobicContact CG-CB 4.12Å; R548-D570 IonicContact CZ-OD2 2.69Å; R548-D570 VanDerWaalsContact CZ-OD2 3.25Å; R548-D570 IonicContact NE-OD2 3.64Å; R548-D570 PolarHBondContact NE-OD2 3.16Å; R548-D570 IonicContact NH2-OD2 3.51Å; R548-D570 PolarHBondContact NH2-OD2 2.8Å
549	I	96.6	Very high	93	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122	175.2	-56	162.8	0	0	0	108.6	A490 V492 Y497 L499 V542 V544 V568 L569	A490-I549 HydrophobicContact CB-CB 4.36Å; A490-I549 HydrophobicContact CB-CD1 3.78Å; A490-I549 HydrophobicContact CB-CG1 3.85Å; A490-I549 HydrophobicContact CB-CG2 3.57Å; V492-I549 HydrophobicContact CG2-CD1 3.9Å; V492-I549 HydrophobicContact CG2-CG1 3.68Å; Y497-I549 HydrophobicContact CD2-CD1 3.76Å; Y497-I549 HydrophobicContact CG-CD1 3.86Å; L499-I549 HydrophobicContact CD1-CB 4.48Å; L499-I549 HydrophobicContact CD1-CG2 3.63Å; V542-I549 HydrophobicContact CG2-CG2 3.79Å; V544-I549 HydrophobicContact CG2-CG1 4.13Å; V544-I549 HydrophobicContact CG2-CG2 4.48Å; I549-V568 WeakPolarHBondContact O-CA 3.43Å; I549-L569 HydrophobicContact CB-CB 4.27Å; I549-L569 HydrophobicContact CD1-CD2 3.89Å; I549-L569 PolarHBondContact N-O 2.82Å; I549-L569 PolarHBondContact O-N 3.28Å
550	Y	96	Very high	92.6	Very high	12 Å²	12	38 Å²	38	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.2	-179.7	-65.1	-103.5	0	0	0	109	L291 P312 V542 A543 H545 R548 I566 V568 F596	L291-Y550 HydrophobicContact CD2-CD1 4.43Å; P312-Y550 HydrophobicContact CB-CE1 4.46Å; V542-Y550 WeakPolarHBondContact CA-O 3.44Å; A543-Y550 PolarHBondContact N-O 3.49Å; A543-Y550 PolarHBondContact O-N 2.67Å; H545-Y550 HydrophobicContact CB-CE2 4.31Å; R548-Y550 HydrophobicContact CB-CD2 4.38Å; R548-Y550 HydrophobicContact CB-CE2 3.68Å; Y550-I566 HydrophobicContact CD1-CG2 4.11Å; Y550-V568 HydrophobicContact CD1-CG1 4.37Å; Y550-V568 HydrophobicContact CD1-CG2 3.62Å; Y550-V568 HydrophobicContact CE1-CG1 4.1Å; Y550-V568 HydrophobicContact CE1-CG2 3.67Å; Y550-V568 HydrophobicContact CG-CG2 4.44Å; Y550-F596 AromaticContact CD2-CE2 3.59Å; Y550-F596 HydrophobicContact CD2-CE2 3.59Å; Y550-F596 AromaticContact CD2-CZ 3.82Å; Y550-F596 HydrophobicContact CD2-CZ 3.82Å; Y550-F596 HydrophobicContact CE1-CZ 4.44Å; Y550-F596 AromaticContact CE2-CE2 3.83Å; Y550-F596 HydrophobicContact CE2-CE2 3.83Å; Y550-F596 AromaticContact CE2-CZ 3.63Å; Y550-F596 HydrophobicContact CE2-CZ 3.63Å; Y550-F596 HydrophobicContact CG-CE2 4.16Å; Y550-F596 HydrophobicContact CG-CZ 4.31Å; Y550-F596 AromaticContact CZ-CZ 3.98Å
551	L	95.9	Very high	92.3	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.8	175	-164	71.2	0	0	0	108.7	S488 L499 L533 Q537 I566 Q567	S488-L551 VanDerWaalsContact OG-CD1 3.32Å; S488-L551 WeakPolarHBondContact OG-CD1 3.26Å; L499-L551 HydrophobicContact CB-CD1 4.47Å; L499-L551 HydrophobicContact CB-CD2 4.45Å; L533-L551 HydrophobicContact CD1-CD2 3.95Å; L533-L551 HydrophobicContact CD2-CD2 4.06Å; Q537-L551 HydrophobicContact CG-CD2 3.77Å; L551-I566 WeakPolarHBondContact O-CA 3.08Å; L551-Q567 HydrophobicContact CB-CB 4.38Å; L551-Q567 PolarHBondContact N-O 2.82Å; L551-Q567 PolarHBondContact O-N 2.94Å
552	V	95.1	Very high	92.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.4	-163.7	-176.4	0	0	0	0	110.6	L291 I293 G541 I566 L585 I592 A594	L291-V552 HydrophobicContact CD2-CG2 4.5Å; I293-V552 HydrophobicContact CG2-CG1 3.89Å; G541-V552 PolarHBondContact N-O 2.97Å; G541-V552 PolarHBondContact O-N 3.17Å; V552-I566 HydrophobicContact CG1-CD1 4.22Å; V552-I566 HydrophobicContact CG1-CG1 4.16Å; V552-I566 HydrophobicContact CG2-CD1 4.37Å; V552-I566 HydrophobicContact CG2-CG1 4.39Å; V552-I566 HydrophobicContact CG2-CG2 4.33Å; V552-L585 HydrophobicContact CG1-CD1 3.95Å; V552-L585 HydrophobicContact CG1-CD2 3.72Å; V552-L585 HydrophobicContact CG1-CG 4.3Å; V552-I592 HydrophobicContact CG1-CG2 4.29Å; V552-I592 WeakPolarHBondContact O-CG2 3.48Å; V552-A594 HydrophobicContact CB-CB 4.14Å; V552-A594 HydrophobicContact CG2-CB 3.78Å
553	G	93.9	Very high	91.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.			trans	61.5	-143.4	177.3	0	0	0	0	0	112.3	Q537 S540 L563 C565	Q537-G553 VanDerWaalsContact CD-O 3.31Å; Q537-G553 PolarHBondContact NE2-O 2.95Å; S540-G553 PolarHBondContact OG-O 3.08Å; G553-L563 WeakPolarHBondContact CA-O 3.26Å; G553-C565 WeakPolarHBondContact CA-O 3.47Å; G553-C565 PolarHBondContact N-O 2.92Å
554	G	93.9	Very high	91.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.			trans	116	-165.2	-179	0	0	0	0	0	111.8	N538 P562 L563 S589	N538-G554 CarbonylContact O-C 3.56Å; N538-G554 WeakPolarHBondContact O-CA 3.49Å; G554-P562 CarbonylContact O-C 3.5Å; G554-P562 WeakPolarHBondContact O-CA 3.33Å; G554-L563 PolarHBondContact O-N 3.42Å; G554-S589 PolarHBondContact N-O 2.82Å
555	Y	92.6	Very high	91.5	Very high	48 Å²	48	43.1 Å²	43.1	19%	0.188	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.4	-176	-175.7	-96.2	0	0	0	110.8	N538 I557 N560 E561 P562	N538-Y555 PolarHBondContact N-O 2.9Å; N538-Y555 VanDerWaalsContact N-O 3.1Å; N538-Y555 PolarHBondContact O-N 3.25Å; N538-Y555 WeakPolarHBondContact OD1-CB 3.3Å; N538-Y555 PolarHBondContact OD1-O 3.32Å; Y555-I557 HydrophobicContact CD1-CG2 4.13Å; Y555-I557 HydrophobicContact CE1-CG2 4.11Å; Y555-N560 VanDerWaalsContact OH-C 3.32Å; Y555-N560 WeakPolarHBondContact OH-CA 3.42Å; Y555-N560 VanDerWaalsContact OH-CG 3.25Å; Y555-N560 PolarHBondContact OH-O 3.44Å; Y555-N560 PolarHBondContact OH-OD1 3.27Å; Y555-E561 WeakPolarHBondContact CD2-O 3.18Å; Y555-P562 HydrophobicContact CD2-CG 4.43Å
556	S	90.2	Very high	91.5	Very high	7 Å²	7	42.3 Å²	42.3	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.8	175	163.9	0	0	0	0	109	W558 T559 N560 E561	S556-W558 PolarHBondContact O-N 2.95Å; S556-T559 WeakPolarHBondContact CB-OG1 3.48Å; S556-T559 PolarHBondContact OG-N 2.72Å; S556-T559 PolarHBondContact OG-OG1 2.94Å; S556-N560 VanDerWaalsContact O-CA 3.3Å; S556-N560 WeakPolarHBondContact O-CA 3.47Å; S556-N560 PolarHBondContact O-N 2.9Å; S556-E561 PolarHBondContact N-O 2.96Å; S556-E561 PolarHBondContact O-N 3.28Å
557	I	85.9	Confident	91.7	Very high	43 Å²	43	36.7 Å²	36.7	22%	0.221	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.9	177.2	65.1	177.8	0	0	0	112.6	R510 L512 N538 Y555	R510-I557 HydrophobicContact CB-CD1 3.97Å; L512-I557 HydrophobicContact CD1-CG1 3.87Å; L512-I557 HydrophobicContact CD2-CD1 4.31Å; L512-I557 HydrophobicContact CD2-CG1 4.12Å; L512-I557 HydrophobicContact CG-CD1 3.85Å; L512-I557 HydrophobicContact CG-CG1 3.66Å; N538-I557 WeakPolarHBondContact ND2-CG2 3.42Å; Y555-I557 HydrophobicContact CD1-CG2 4.13Å; Y555-I557 HydrophobicContact CE1-CG2 4.11Å
558	W	83.9	Confident	91.8	Very high	189 Å²	189	36 Å²	36	72%	0.716	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-45	178.8	-66.8	115.6	0	0	0	112.1	L512 S556 N560	L512-W558 HydrophobicContact CD1-CG 4.29Å; S556-W558 PolarHBondContact O-N 2.95Å; W558-N560 VanDerWaalsContact C-N 3.33Å
559	T	85.3	Confident	91.9	Very high	78 Å²	78	33.6 Å²	33.6	48%	0.479	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.7	177.4	56.1	0	0	0	0	111.7	S556 E561	S556-T559 WeakPolarHBondContact CB-OG1 3.48Å; S556-T559 PolarHBondContact OG-N 2.72Å; S556-T559 PolarHBondContact OG-OG1 2.94Å; T559-E561 WeakPolarHBondContact O-CG 3.42Å; T559-E561 PolarHBondContact O-N 3.19Å
560	N	86.9	Confident	91.8	Very high	118 Å²	118	34 Å²	34	63%	0.631	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	31.2	-175.6	-166.5	63.3	0	0	0	112.1	Y555 S556 W558	Y555-N560 VanDerWaalsContact OH-C 3.32Å; Y555-N560 WeakPolarHBondContact OH-CA 3.42Å; Y555-N560 VanDerWaalsContact OH-CG 3.25Å; Y555-N560 PolarHBondContact OH-O 3.44Å; Y555-N560 PolarHBondContact OH-OD1 3.27Å; S556-N560 VanDerWaalsContact O-CA 3.3Å; S556-N560 WeakPolarHBondContact O-CA 3.47Å; S556-N560 PolarHBondContact O-N 2.9Å; W558-N560 VanDerWaalsContact C-N 3.33Å
561	E	88.4	Confident	91.7	Very high	90 Å²	90	33.6 Å²	33.6	42%	0.421	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.7	-172.1	-74.7	-173.2	158.6	0	0	112.8	R299 Y555 S556 T559	R299-E561 IonicContact NH1-OE1 3.74Å; R299-E561 PolarHBondContact NH1-OE1 3.12Å; Y555-E561 WeakPolarHBondContact CD2-O 3.18Å; S556-E561 PolarHBondContact N-O 2.96Å; S556-E561 PolarHBondContact O-N 3.28Å; T559-E561 WeakPolarHBondContact O-CG 3.42Å; T559-E561 PolarHBondContact O-N 3.19Å
562	P	91.9	Very high	91.4	Very high	29 Å²	29	35.4 Å²	35.4	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	155.3	165.4	-18.2	31.4	0	0	0	111.3	G554 Y555 A588	G554-P562 CarbonylContact O-C 3.5Å; G554-P562 WeakPolarHBondContact O-CA 3.33Å; Y555-P562 HydrophobicContact CD2-CG 4.43Å; P562-A588 HydrophobicContact CB-CB 4.05Å; P562-A588 WeakPolarHBondContact O-CB 3.33Å
563	L	92	Very high	91	Very high	26 Å²	26	43.5 Å²	43.5	14%	0.136	21%	0.213	C	C	.	.			trans	-110	142.2	-178.2	-60.5	175.9	0	0	0	111	T535 Q537 G553 G554 A588 S589	T535-L563 HydrophobicContact CG2-CD1 4.38Å; Q537-L563 HydrophobicContact CB-CD1 3.45Å; Q537-L563 VanDerWaalsContact CB-CD1 3.45Å; Q537-L563 HydrophobicContact CG-CD1 4.45Å; G553-L563 WeakPolarHBondContact CA-O 3.26Å; G554-L563 PolarHBondContact O-N 3.42Å; L563-A588 WeakPolarHBondContact O-CA 3.49Å; L563-S589 PolarHBondContact O-N 3.41Å
564	A	91.4	Very high	90.5	Very high	29 Å²	29	51 Å²	51	24%	0.24	25%	0.248	C	C	.	.			trans	-100.9	4.7	173.9	0	0	0	0	0	112.7	T584 L585 A588	A564-T584 HydrophobicContact CB-CG2 3.95Å; A564-T584 WeakPolarHBondContact O-CG2 3.49Å; A564-L585 HydrophobicContact CB-CB 4.29Å; A564-L585 WeakPolarHBondContact O-CB 3.32Å; A564-L585 PolarHBondContact O-N 3.2Å; A564-A588 HydrophobicContact CB-CB 4.02Å
565	C	91.5	Very high	90.1	Very high	24 Å²	24	54 Å²	54	16%	0.162	28%	0.279	C	S	.	.			trans	-85.4	150.2	-176.2	61.9	0	0	0	0	112.1	Q537 G553 Y581	Q537-C565 PolarHBondContact OE1-SG 2.84Å; G553-C565 WeakPolarHBondContact CA-O 3.47Å; G553-C565 PolarHBondContact N-O 2.92Å; C565-Y581 HydrophobicContact CB-CD1 3.99Å; C565-Y581 HydrophobicContact CB-CE1 3.93Å
566	I	93.4	Very high	89.9	Confident	1 Å²	1	59 Å²	59	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.8	162.1	-61	-175.9	0	0	0	106.5	L291 W326 Y550 L551 V552 V568 Y581 G582 P583 L585	L291-I566 HydrophobicContact CD2-CD1 4.11Å; W326-I566 HydrophobicContact CH2-CD1 4.03Å; W326-I566 HydrophobicContact CZ2-CD1 3.73Å; Y550-I566 HydrophobicContact CD1-CG2 4.11Å; L551-I566 WeakPolarHBondContact O-CA 3.08Å; V552-I566 HydrophobicContact CG1-CD1 4.22Å; V552-I566 HydrophobicContact CG1-CG1 4.16Å; V552-I566 HydrophobicContact CG2-CD1 4.37Å; V552-I566 HydrophobicContact CG2-CG1 4.39Å; V552-I566 HydrophobicContact CG2-CG2 4.33Å; I566-V568 HydrophobicContact CG2-CG2 4.16Å; I566-Y581 CarbonylContact O-C 3.51Å; I566-Y581 WeakPolarHBondContact O-CA 3.12Å; I566-G582 PolarHBondContact O-N 3.1Å; I566-P583 WeakPolarHBondContact CB-O 3.41Å; I566-P583 HydrophobicContact CD1-CG 4.33Å; I566-P583 WeakPolarHBondContact CD1-O 3.29Å; I566-P583 WeakPolarHBondContact CG1-O 3.31Å; I566-L585 HydrophobicContact CD1-CD2 3.91Å; I566-L585 HydrophobicContact CD1-CG 4.32Å; I566-L585 HydrophobicContact CG1-CD2 4.15Å; I566-L585 HydrophobicContact CG1-CG 4.05Å
567	Q	94.3	Very high	90	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.009	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.5	172.1	-64.8	-175.5	74.1	0	0	108.2	T535 L551 Y581	T535-Q567 VanDerWaalsContact N-OE1 3.17Å; T535-Q567 PolarHBondContact O-NE2 2.83Å; L551-Q567 HydrophobicContact CB-CB 4.38Å; L551-Q567 PolarHBondContact N-O 2.82Å; L551-Q567 PolarHBondContact O-N 2.94Å; Q567-Y581 HydrophobicContact CG-CD1 4Å; Q567-Y581 HydrophobicContact CG-CE1 3.78Å
568	V	94.9	Very high	90.3	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.1	179.7	-173.5	0	0	0	0	108.2	R548 I549 Y550 I566 V579 F580	R548-V568 HydrophobicContact CB-CG1 4.01Å; R548-V568 HydrophobicContact CG-CG1 4.39Å; I549-V568 WeakPolarHBondContact O-CA 3.43Å; Y550-V568 HydrophobicContact CD1-CG1 4.37Å; Y550-V568 HydrophobicContact CD1-CG2 3.62Å; Y550-V568 HydrophobicContact CE1-CG1 4.1Å; Y550-V568 HydrophobicContact CE1-CG2 3.67Å; Y550-V568 HydrophobicContact CG-CG2 4.44Å; I566-V568 HydrophobicContact CG2-CG2 4.16Å; V568-V579 VanDerWaalsContact O-CA 3.31Å; V568-V579 WeakPolarHBondContact O-CA 3.39Å; V568-F580 HydrophobicContact CB-CD2 4.14Å; V568-F580 HydrophobicContact CB-CE1 4.35Å; V568-F580 HydrophobicContact CB-CE2 3.71Å; V568-F580 HydrophobicContact CB-CZ 3.83Å; V568-F580 HydrophobicContact CG1-CE1 4.27Å; V568-F580 HydrophobicContact CG1-CE2 4.05Å; V568-F580 HydrophobicContact CG1-CZ 3.7Å; V568-F580 HydrophobicContact CG2-CE2 4.09Å; V568-F580 PolarHBondContact N-O 3.03Å; V568-F580 PolarHBondContact O-N 3.23Å
569	L	95.4	Very high	90.8	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.7	169.4	166.6	60.8	0	0	0	108	Y497 L499 I516 F531 R548 I549 V571 E578 V579	Y497-L569 HydrophobicContact CD1-CD2 4.18Å; L499-L569 HydrophobicContact CD2-CD2 4.01Å; I516-L569 HydrophobicContact CD1-CD2 4.4Å; F531-L569 HydrophobicContact CD2-CD1 3.96Å; F531-L569 HydrophobicContact CE2-CD1 3.28Å; F531-L569 HydrophobicContact CE2-CD2 4.31Å; F531-L569 HydrophobicContact CE2-CG 4.45Å; F531-L569 HydrophobicContact CZ-CD1 3.91Å; R548-L569 CarbonylContact C-O 3.59Å; R548-L569 VanDerWaalsContact CA-O 3.28Å; R548-L569 WeakPolarHBondContact CA-O 3.46Å; I549-L569 HydrophobicContact CB-CB 4.27Å; I549-L569 HydrophobicContact CD1-CD2 3.89Å; I549-L569 PolarHBondContact N-O 2.82Å; I549-L569 PolarHBondContact O-N 3.28Å; L569-V571 HydrophobicContact CD1-CG1 3.69Å; L569-V571 HydrophobicContact CD2-CG1 4.17Å; L569-V571 HydrophobicContact CG-CG1 3.79Å; L569-E578 WeakPolarHBondContact CA-O 2.96Å; L569-V579 HydrophobicContact CB-CG2 4.38Å; L569-V579 HydrophobicContact CD1-CG2 3.76Å
570	D	94	Very high	91.2	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.059	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	113.5	172.8	-164.6	-24.7	0	0	0	109.4	R548 S572 E577 E578 F580	R548-D570 HydrophobicContact CG-CB 4.12Å; R548-D570 IonicContact CZ-OD2 2.69Å; R548-D570 VanDerWaalsContact CZ-OD2 3.25Å; R548-D570 IonicContact NE-OD2 3.64Å; R548-D570 PolarHBondContact NE-OD2 3.16Å; R548-D570 IonicContact NH2-OD2 3.51Å; R548-D570 PolarHBondContact NH2-OD2 2.8Å; D570-S572 WeakPolarHBondContact OD1-CB 3.34Å; D570-S572 PolarHBondContact OD1-N 2.78Å; D570-S572 PolarHBondContact OD1-OG 2.92Å; D570-E577 VanDerWaalsContact O-CA 3.27Å; D570-E577 WeakPolarHBondContact O-CA 3.46Å; D570-E578 HydrophobicContact CB-CG 4.12Å; D570-E578 PolarHBondContact N-O 3.28Å; D570-E578 PolarHBondContact O-N 2.93Å; D570-F580 HydrophobicContact CB-CE1 4.11Å
571	V	93.9	Very high	91.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	28%	0.279	C	S	.	.			trans	-122.7	23.4	173.8	-67.3	0	0	0	0	110.6	V492 Y497 F531 G547 L569 R573 E577	V492-V571 HydrophobicContact CB-CG2 3.83Å; V492-V571 HydrophobicContact CG1-CG2 3.7Å; V492-V571 HydrophobicContact CG2-CG2 4.01Å; Y497-V571 HydrophobicContact CE1-CG1 4.03Å; Y497-V571 HydrophobicContact CE2-CG2 4.25Å; F531-V571 HydrophobicContact CZ-CG1 4.46Å; G547-V571 CarbonylContact O-C 3.58Å; G547-V571 VanDerWaalsContact O-CG2 3.25Å; G547-V571 WeakPolarHBondContact O-CG2 3.43Å; G547-V571 PolarHBondContact O-N 3.01Å; L569-V571 HydrophobicContact CD1-CG1 3.69Å; L569-V571 HydrophobicContact CD2-CG1 4.17Å; L569-V571 HydrophobicContact CG-CG1 3.79Å; V571-R573 VanDerWaalsContact C-N 3.28Å; V571-R573 PolarHBondContact O-N 2.92Å; V571-E577 HydrophobicContact CB-CG 4.36Å; V571-E577 HydrophobicContact CG1-CB 4.29Å; V571-E577 HydrophobicContact CG1-CG 3.89Å
572	S	89.8	Confident	91.3	Very high	40 Å²	40	52.2 Å²	52.2	28%	0.28	27%	0.269	S	S	.	.	S	Bend	trans	-68.2	-29.6	-178.7	64.1	0	0	0	0	112.5	Q493 G547 D570	Q493-S572 PolarHBondContact NE2-O 2.94Å; G547-S572 PolarHBondContact O-N 3.06Å; D570-S572 WeakPolarHBondContact OD1-CB 3.34Å; D570-S572 PolarHBondContact OD1-N 2.78Å; D570-S572 PolarHBondContact OD1-OG 2.92Å
573	R	87.1	Confident	90.9	Very high	170 Å²	170	52.3 Å²	52.3	64%	0.642	27%	0.27	S	S	*	.	S	Bend	trans	-122.9	116.9	-178.6	-63.6	178.5	-177.7	179.3	-1.4	110.1	V571 G575 K576	V571-R573 VanDerWaalsContact C-N 3.28Å; V571-R573 PolarHBondContact O-N 2.92Å; R573-G575 PolarHBondContact O-N 3.33Å; R573-K576 HydrophobicContact CB-CB 4.27Å; R573-K576 PolarHBondContact O-N 3.04Å; R573-K576 VanDerWaalsContact O-N 3.16Å
574	E	84.6	Confident	90.7	Very high	159 Å²	159	54.6 Å²	54.6	74%	0.743	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	132.5	177.6	-170.5	166.4	-147.3	0	0	111.2	K576	E574-K576 VanDerWaalsContact C-N 3.27Å; E574-K576 PolarHBondContact O-N 2.83Å
575	G	84.6	Confident	90.5	Very high	63 Å²	63	53.6 Å²	53.6	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	1.8	-178.4	0	0	0	0	0	115.3	R573 E577	R573-G575 PolarHBondContact O-N 3.33Å; G575-E577 VanDerWaalsContact CA-OE2 3.24Å; G575-E577 WeakPolarHBondContact CA-OE2 3.41Å; G575-E577 VanDerWaalsContact N-CD 3.34Å; G575-E577 PolarHBondContact N-OE1 2.87Å; G575-E577 PolarHBondContact N-OE2 3.36Å; G575-E577 VanDerWaalsContact N-OE2 3.15Å
576	K	88.1	Confident	90.3	Very high	152 Å²	152	55.5 Å²	55.5	66%	0.661	29%	0.288	S	S	*	.			trans	-126	32.7	173.3	-65.6	-172.1	177.2	-176.3	0	111.5	R573 E574	R573-K576 HydrophobicContact CB-CB 4.27Å; R573-K576 PolarHBondContact O-N 3.04Å; R573-K576 VanDerWaalsContact O-N 3.16Å; E574-K576 VanDerWaalsContact C-N 3.27Å; E574-K576 PolarHBondContact O-N 2.83Å
577	E	92.6	Very high	89.9	Confident	59 Å²	59	57 Å²	57	28%	0.276	29%	0.294	S	S	.	.			trans	-69.1	134.5	-179.9	-56.9	84.4	172.5	0	0	111.1	F531 D570 V571 G575	F531-E577 HydrophobicContact CD1-CB 3.97Å; F531-E577 HydrophobicContact CE1-CB 3.36Å; F531-E577 HydrophobicContact CE1-CG 3.96Å; F531-E577 HydrophobicContact CZ-CB 3.76Å; F531-E577 HydrophobicContact CZ-CG 4.25Å; D570-E577 VanDerWaalsContact O-CA 3.27Å; D570-E577 WeakPolarHBondContact O-CA 3.46Å; V571-E577 HydrophobicContact CB-CG 4.36Å; V571-E577 HydrophobicContact CG1-CB 4.29Å; V571-E577 HydrophobicContact CG1-CG 3.89Å; G575-E577 VanDerWaalsContact CA-OE2 3.24Å; G575-E577 WeakPolarHBondContact CA-OE2 3.41Å; G575-E577 VanDerWaalsContact N-CD 3.34Å; G575-E577 PolarHBondContact N-OE1 2.87Å; G575-E577 PolarHBondContact N-OE2 3.36Å; G575-E577 VanDerWaalsContact N-OE2 3.15Å
578	E	92.5	Very high	89.7	Confident	103 Å²	103	58.8 Å²	58.8	48%	0.481	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.4	179.9	62.6	175	177	0	0	112.5	L569 D570 F580	L569-E578 WeakPolarHBondContact CA-O 2.96Å; D570-E578 HydrophobicContact CB-CG 4.12Å; D570-E578 PolarHBondContact N-O 3.28Å; D570-E578 PolarHBondContact O-N 2.93Å; E578-F580 HydrophobicContact CG-CD1 3.96Å; E578-F580 HydrophobicContact CG-CE1 4.19Å
579	V	94	Very high	89.5	Confident	23 Å²	23	58.7 Å²	58.7	14%	0.139	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.2	172.8	-173.4	0	0	0	0	108.6	I516 F531 L534 V568 L569	I516-V579 HydrophobicContact CD1-CG2 4.13Å; F531-V579 HydrophobicContact CD2-CG2 3.84Å; F531-V579 HydrophobicContact CE2-CG2 4.47Å; L534-V579 HydrophobicContact CD1-CG1 4.36Å; L534-V579 HydrophobicContact CG-CG1 3.96Å; V568-V579 VanDerWaalsContact O-CA 3.31Å; V568-V579 WeakPolarHBondContact O-CA 3.39Å; L569-V579 HydrophobicContact CB-CG2 4.38Å; L569-V579 HydrophobicContact CD1-CG2 3.76Å
580	F	93	Very high	89.4	Confident	64 Å²	64	59.2 Å²	59.2	28%	0.281	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	163.1	177.9	56.9	-91.3	0	0	0	111.2	V568 D570 E578	V568-F580 HydrophobicContact CB-CD2 4.14Å; V568-F580 HydrophobicContact CB-CE1 4.35Å; V568-F580 HydrophobicContact CB-CE2 3.71Å; V568-F580 HydrophobicContact CB-CZ 3.83Å; V568-F580 HydrophobicContact CG1-CE1 4.27Å; V568-F580 HydrophobicContact CG1-CE2 4.05Å; V568-F580 HydrophobicContact CG1-CZ 3.7Å; V568-F580 HydrophobicContact CG2-CE2 4.09Å; V568-F580 PolarHBondContact N-O 3.03Å; V568-F580 PolarHBondContact O-N 3.23Å; D570-F580 HydrophobicContact CB-CE1 4.11Å; E578-F580 HydrophobicContact CG-CD1 3.96Å; E578-F580 HydrophobicContact CG-CE1 4.19Å
581	Y	91.8	Very high	89.3	Confident	113 Å²	113	58.9 Å²	58.9	44%	0.443	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.4	171.2	-71.3	-67	0	0	0	109.8	L534 T535 C565 I566 Q567	L534-Y581 HydrophobicContact CB-CE1 4.25Å; L534-Y581 HydrophobicContact CB-CE2 3.95Å; L534-Y581 WeakPolarHBondContact CB-OH 3.49Å; L534-Y581 HydrophobicContact CD1-CD1 4.19Å; L534-Y581 HydrophobicContact CD1-CD2 3.53Å; L534-Y581 HydrophobicContact CD1-CE1 4.13Å; L534-Y581 HydrophobicContact CD1-CE2 3.46Å; L534-Y581 VanDerWaalsContact CD1-CE2 3.46Å; L534-Y581 HydrophobicContact CD1-CG 3.91Å; L534-Y581 HydrophobicContact CG-CE2 4.33Å; T535-Y581 PolarHBondContact OG1-OH 2.91Å; C565-Y581 HydrophobicContact CB-CD1 3.99Å; C565-Y581 HydrophobicContact CB-CE1 3.93Å; I566-Y581 CarbonylContact O-C 3.51Å; I566-Y581 WeakPolarHBondContact O-CA 3.12Å; Q567-Y581 HydrophobicContact CG-CD1 4Å; Q567-Y581 HydrophobicContact CG-CE1 3.78Å
582	G	86.6	Confident	89.3	Confident	20 Å²	20	59.1 Å²	59.1	21%	0.206	31%	0.312	C	S	.	.			trans	-80.5	-165.3	165.4	0	0	0	0	0	111.7	I566	I566-G582 PolarHBondContact O-N 3.1Å
583	P	83.3	Confident	89.6	Confident	32 Å²	32	57.6 Å²	57.6	21%	0.208	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-60.6	145	178	26.6	-36.3	0	0	0	112.2	F310 A324 I566	F310-P583 HydrophobicContact CD1-CG 3.85Å; F310-P583 HydrophobicContact CE1-CB 4.26Å; F310-P583 HydrophobicContact CE1-CG 3.52Å; F310-P583 HydrophobicContact CE2-CB 4.48Å; F310-P583 HydrophobicContact CG-CG 4.5Å; F310-P583 HydrophobicContact CZ-CB 4.13Å; F310-P583 HydrophobicContact CZ-CG 3.89Å; A324-P583 HydrophobicContact CB-CB 3.49Å; A324-P583 VanDerWaalsContact CB-CB 3.49Å; I566-P583 WeakPolarHBondContact CB-O 3.41Å; I566-P583 HydrophobicContact CD1-CG 4.33Å; I566-P583 WeakPolarHBondContact CD1-O 3.29Å; I566-P583 WeakPolarHBondContact CG1-O 3.31Å
584	T	87.3	Confident	90	Very high	73 Å²	73	49.7 Å²	49.7	45%	0.448	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-69.8	139.6	174.6	-48	0	0	0	0	110.3	W326 A564	W326-T584 PolarHBondContact NE1-O 2.9Å; A564-T584 HydrophobicContact CB-CG2 3.95Å; A564-T584 WeakPolarHBondContact O-CG2 3.49Å
585	L	88.7	Confident	90.5	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.042	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-63.5	151.1	170.2	-70.6	173.9	0	0	0	110.7	I293 W326 V552 A564 I566 F587	I293-L585 HydrophobicContact CD1-CD2 3.62Å; I293-L585 HydrophobicContact CG2-CD2 4.5Å; W326-L585 HydrophobicContact CH2-CD2 4.07Å; W326-L585 HydrophobicContact CZ2-CD2 3.77Å; V552-L585 HydrophobicContact CG1-CD1 3.95Å; V552-L585 HydrophobicContact CG1-CD2 3.72Å; V552-L585 HydrophobicContact CG1-CG 4.3Å; A564-L585 HydrophobicContact CB-CB 4.29Å; A564-L585 WeakPolarHBondContact O-CB 3.32Å; A564-L585 PolarHBondContact O-N 3.2Å; I566-L585 HydrophobicContact CD1-CD2 3.91Å; I566-L585 HydrophobicContact CD1-CG 4.32Å; I566-L585 HydrophobicContact CG1-CD2 4.15Å; I566-L585 HydrophobicContact CG1-CG 4.05Å; L585-F587 VanDerWaalsContact CB-O 3.26Å; L585-F587 WeakPolarHBondContact CB-O 3.46Å; L585-F587 PolarHBondContact O-N 3.32Å
586	P	85.5	Confident	91	Very high	65 Å²	65	40.9 Å²	40.9	42%	0.422	22%	0.215	S	C	.	.	S	Bend	trans	-66	-14	177.9	24.7	-27	0	0	0	112.4	W326	W326-P586 HydrophobicContact CB-CB 4.45Å; W326-P586 HydrophobicContact CB-CG 4.17Å; W326-P586 HydrophobicContact CD2-CG 4.29Å; W326-P586 HydrophobicContact CG-CB 4.35Å; W326-P586 HydrophobicContact CG-CG 3.89Å
587	F	85.9	Confident	91.2	Very high	33 Å²	33	33.6 Å²	33.6	15%	0.145	18%	0.184	C	C	.	.	S	Bend	trans	-158.7	157	173.7	56.6	-82	0	0	0	110.1	K298 V304 L585 S589	K298-F587 HydrophobicContact CD-CD2 3.85Å; K298-F587 HydrophobicContact CD-CE2 4.1Å; K298-F587 HydrophobicContact CD-CG 4.17Å; K298-F587 VanDerWaalsContact CE-CD1 3.43Å; K298-F587 HydrophobicContact CG-CD2 3.41Å; K298-F587 VanDerWaalsContact CG-CD2 3.41Å; K298-F587 HydrophobicContact CG-CE2 3.69Å; K298-F587 HydrophobicContact CG-CG 4.17Å; V304-F587 HydrophobicContact CG1-CZ 4.02Å; V304-F587 HydrophobicContact CG2-CE2 3.97Å; V304-F587 HydrophobicContact CG2-CZ 4.21Å; L585-F587 VanDerWaalsContact CB-O 3.26Å; L585-F587 WeakPolarHBondContact CB-O 3.46Å; L585-F587 PolarHBondContact O-N 3.32Å; F587-S589 VanDerWaalsContact CE2-CB 3.41Å
588	A	90.2	Very high	91	Very high	39 Å²	39	31 Å²	31	32%	0.322	17%	0.172	S	C	.	.			trans	-72.5	128.9	172.2	0	0	0	0	0	111.1	P562 L563 A564	P562-A588 HydrophobicContact CB-CB 4.05Å; P562-A588 WeakPolarHBondContact O-CB 3.33Å; L563-A588 WeakPolarHBondContact O-CA 3.49Å; A564-A588 HydrophobicContact CB-CB 4.02Å
589	S	91.6	Very high	90.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.			trans	-153.5	147	-177.4	-158.2	0	0	0	0	113.8	K297 G554 L563 F587	K297-S589 PolarHBondContact N-OG 3.18Å; K297-S589 VanDerWaalsContact N-OG 3.12Å; K297-S589 WeakPolarHBondContact O-CA 3.26Å; K297-S589 PolarHBondContact O-OG 2.88Å; G554-S589 PolarHBondContact N-O 2.82Å; L563-S589 PolarHBondContact O-N 3.41Å; F587-S589 VanDerWaalsContact CE2-CB 3.41Å
590	N	91.5	Very high	89.9	Confident	13 Å²	13	25.7 Å²	25.7	7%	0.07	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-120.4	159.3	169.7	66.9	-50.1	0	0	0	111.1	G296 K297 E539 I592	G296-N590 WeakPolarHBondContact CA-O 3.4Å; K297-N590 PolarHBondContact N-O 3.18Å; E539-N590 HydrophobicContact CB-CB 4.3Å; E539-N590 PolarHBondContact OE2-ND2 3.5Å; N590-I592 PolarHBondContact O-N 3.27Å
591	G	91.9	Very high	89	Confident	5 Å²	5	25 Å²	25	5%	0.052	14%	0.143	C	C	.	.	S	Bend	trans	64.6	22.9	-176	0	0	0	0	0	113.2	H338 E539	H338-G591 VanDerWaalsContact CD2-CA 3.46Å; H338-G591 WeakPolarHBondContact CD2-CA 3.39Å; H338-G591 PolarHBondContact N-O 3.21Å; E539-G591 PolarHBondContact O-N 3.04Å
592	I	94.3	Very high	88.1	Confident	8 Å²	8	25.6 Å²	25.6	4%	0.041	15%	0.148	C	C	.	.			trans	-77.8	146.7	171	-165.1	166	0	0	0	109	I293 I294 G541 V552 N590	I293-I592 HydrophobicContact CB-CD1 3.82Å; I293-I592 HydrophobicContact CB-CG1 4.36Å; I293-I592 HydrophobicContact CD1-CD1 4.01Å; I293-I592 HydrophobicContact CG1-CD1 4.25Å; I294-I592 WeakPolarHBondContact O-CG1 3.36Å; G541-I592 VanDerWaalsContact CA-O 3.25Å; G541-I592 WeakPolarHBondContact CA-O 3.39Å; G541-I592 PolarHBondContact N-O 2.77Å; V552-I592 HydrophobicContact CG1-CG2 4.29Å; V552-I592 WeakPolarHBondContact O-CG2 3.48Å; N590-I592 PolarHBondContact O-N 3.27Å
593	A	95.8	Very high	87.5	Confident	8 Å²	8	25.5 Å²	25.5	7%	0.066	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149.8	171.3	0	0	0	0	0	109.8	I293 I294 V341	I293-A593 WeakPolarHBondContact CA-O 3.34Å; I294-A593 HydrophobicContact CG2-CB 3.8Å; I294-A593 PolarHBondContact N-O 3.18Å; I294-A593 PolarHBondContact O-N 2.81Å; I294-A593 VanDerWaalsContact O-N 3.08Å; V341-A593 HydrophobicContact CB-CB 4.13Å; V341-A593 HydrophobicContact CG1-CB 3.52Å; V341-A593 HydrophobicContact CG2-CB 3.61Å
594	A	96.1	Very high	87.3	Confident	4 Å²	4	24 Å²	24	3%	0.033	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148	-179.6	0	0	0	0	0	110.3	L291 Y292 I293 A543 V552	L291-A594 HydrophobicContact CD1-CB 4.28Å; Y292-A594 CarbonylContact O-C 3.57Å; Y292-A594 VanDerWaalsContact O-CA 3.26Å; Y292-A594 WeakPolarHBondContact O-CA 3.46Å; I293-A594 HydrophobicContact CG2-CB 4.44Å; A543-A594 HydrophobicContact CB-CB 4.03Å; V552-A594 HydrophobicContact CB-CB 4.14Å; V552-A594 HydrophobicContact CG2-CB 3.78Å
595	C	96.2	Very high	86.4	Confident	11 Å²	11	23.6 Å²	23.6	7%	0.074	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	164	174.1	62.7	0	0	0	0	110.4	Y292 V341 V343 L348	Y292-C595 PolarHBondContact N-O 2.81Å; Y292-C595 PolarHBondContact O-N 3.3Å; V341-C595 HydrophobicContact CG2-CB 4.32Å; V343-C595 HydrophobicContact CG2-CB 3.85Å; L348-C595 VanDerWaalsContact CD1-SG 3.59Å
596	F	94.1	Very high	85.6	Confident	25 Å²	25	28.7 Å²	28.7	11%	0.11	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.9	167.2	-82.3	-93	0	0	0	109.6	D289 T290 L291 P312 A543 V544 H545 Y550	D289-F596 HydrophobicContact CB-CB 4.38Å; D289-F596 HydrophobicContact CB-CD1 4.11Å; T290-F596 WeakPolarHBondContact O-CA 3.45Å; T290-F596 WeakPolarHBondContact O-CD1 3.4Å; L291-F596 HydrophobicContact CB-CE1 3.93Å; L291-F596 HydrophobicContact CB-CE2 4.43Å; L291-F596 HydrophobicContact CB-CZ 3.87Å; L291-F596 HydrophobicContact CD1-CD2 4.2Å; L291-F596 HydrophobicContact CD1-CE2 3.75Å; L291-F596 HydrophobicContact CD1-CZ 4.03Å; L291-F596 HydrophobicContact CG-CZ 4.46Å; P312-F596 HydrophobicContact CG-CE1 3.8Å; P312-F596 HydrophobicContact CG-CZ 4.18Å; A543-F596 HydrophobicContact CB-CD2 3.77Å; A543-F596 HydrophobicContact CB-CE2 3.91Å; V544-F596 WeakPolarHBondContact O-CD2 3.41Å; H545-F596 HydrophobicContact CB-CD1 3.67Å; H545-F596 HydrophobicContact CB-CD2 3.52Å; H545-F596 HydrophobicContact CB-CE1 3.59Å; H545-F596 HydrophobicContact CB-CE2 3.44Å; H545-F596 VanDerWaalsContact CB-CE2 3.44Å; H545-F596 HydrophobicContact CB-CG 3.63Å; H545-F596 HydrophobicContact CB-CZ 3.48Å; H545-F596 VanDerWaalsContact CB-CZ 3.48Å; H545-F596 AromaticContact CD2-CE1 3.83Å; H545-F596 AromaticContact CG-CD1 3.67Å; H545-F596 AromaticContact CG-CE1 3.69Å; H545-F596 AromaticContact ND1-CD1 3.99Å; Y550-F596 AromaticContact CD2-CE2 3.59Å; Y550-F596 HydrophobicContact CD2-CE2 3.59Å; Y550-F596 AromaticContact CD2-CZ 3.82Å; Y550-F596 HydrophobicContact CD2-CZ 3.82Å; Y550-F596 HydrophobicContact CE1-CZ 4.44Å; Y550-F596 AromaticContact CE2-CE2 3.83Å; Y550-F596 HydrophobicContact CE2-CE2 3.83Å; Y550-F596 AromaticContact CE2-CZ 3.63Å; Y550-F596 HydrophobicContact CE2-CZ 3.63Å; Y550-F596 HydrophobicContact CG-CE2 4.16Å; Y550-F596 HydrophobicContact CG-CZ 4.31Å; Y550-F596 AromaticContact CZ-CZ 3.98Å
597	L	92.1	Very high	84.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152	176.9	-75.9	159.8	0	0	0	109.4	T290 Y292 V343 L348 A599	T290-L597 PolarHBondContact N-O 2.69Å; T290-L597 PolarHBondContact O-N 2.81Å; T290-L597 VanDerWaalsContact O-N 3.15Å; Y292-L597 HydrophobicContact CD1-CD1 4.27Å; Y292-L597 HydrophobicContact CD2-CB 3.81Å; Y292-L597 HydrophobicContact CD2-CD1 4.3Å; Y292-L597 HydrophobicContact CE2-CB 3.71Å; Y292-L597 HydrophobicContact CG-CB 4.47Å; Y292-L597 HydrophobicContact CG-CD1 4.13Å; V343-L597 HydrophobicContact CB-CD2 4.16Å; V343-L597 HydrophobicContact CG1-CD2 3.4Å; V343-L597 VanDerWaalsContact CG1-CD2 3.4Å; V343-L597 HydrophobicContact CG1-CG 4.48Å; V343-L597 HydrophobicContact CG2-CD1 4.45Å; V343-L597 HydrophobicContact CG2-CD2 3.66Å; V343-L597 HydrophobicContact CG2-CG 3.95Å; L348-L597 HydrophobicContact CB-CD1 3.69Å; L348-L597 HydrophobicContact CD1-CD1 4.39Å; L348-L597 HydrophobicContact CD2-CD1 4.28Å; L348-L597 HydrophobicContact CG-CD1 4.34Å; L597-A599 PolarHBondContact O-N 2.73Å
598	P	88.3	Confident	83.6	Confident	4 Å²	4	29.4 Å²	29.4	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	135.9	161.7	-28.3	38.1	0	0	0	110.6	F286 Y292 D346 P600	F286-P598 HydrophobicContact CB-CB 4.36Å; F286-P598 HydrophobicContact CD1-CB 3.61Å; F286-P598 HydrophobicContact CD1-CG 4.2Å; F286-P598 HydrophobicContact CD2-CB 4.05Å; F286-P598 HydrophobicContact CE1-CB 3.74Å; F286-P598 HydrophobicContact CE1-CG 3.79Å; F286-P598 HydrophobicContact CE2-CB 4.17Å; F286-P598 HydrophobicContact CE2-CG 4.24Å; F286-P598 HydrophobicContact CG-CB 3.76Å; F286-P598 HydrophobicContact CZ-CB 4.02Å; F286-P598 HydrophobicContact CZ-CG 3.81Å; Y292-P598 PolarHBondContact OH-O 2.85Å; D346-P598 HydrophobicContact CB-CG 4.12Å; P598-P600 WeakPolarHBondContact O-CD 3.25Å
599	A	82.9	Confident	81.9	Confident	7 Å²	7	32 Å²	32	6%	0.058	17%	0.171	C	C	.	.			trans	-109.4	96.5	172.7	0	0	0	0	0	109.5	T290 Y292 L597 Y601 C604 L607	T290-A599 HydrophobicContact CG2-CB 4.38Å; T290-A599 WeakPolarHBondContact OG1-CB 3.25Å; Y292-A599 HydrophobicContact CE2-CB 4.49Å; L597-A599 PolarHBondContact O-N 2.73Å; A599-Y601 PolarHBondContact O-N 2.67Å; A599-C604 HydrophobicContact CB-CB 4.17Å; A599-L607 HydrophobicContact CB-CD1 3.48Å; A599-L607 VanDerWaalsContact CB-CD1 3.48Å
600	P	81.3	Confident	79.4	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.052	21%	0.21	C	C	.	.			trans	-62.4	137.9	175.6	-21.9	35.1	0	0	0	110.2	P284 P373 P598 F602 T603 C604	P284-P600 HydrophobicContact CB-CB 4.26Å; P284-P600 HydrophobicContact CB-CG 3.69Å; P284-P600 HydrophobicContact CG-CG 4.17Å; P373-P600 HydrophobicContact CB-CG 4.29Å; P373-P600 WeakPolarHBondContact O-CG 3.21Å; P598-P600 WeakPolarHBondContact O-CD 3.25Å; P600-F602 VanDerWaalsContact C-N 3.32Å; P600-F602 PolarHBondContact O-N 2.94Å; P600-T603 PolarHBondContact O-N 3.06Å; P600-T603 PolarHBondContact O-OG1 3.12Å; P600-C604 WeakPolarHBondContact O-CB 3.44Å; P600-C604 PolarHBondContact O-N 2.84Å
601	Y	74.1	Confident	76.9	Confident	50 Å²	50	42.4 Å²	42.4	20%	0.196	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.8	-176	167.6	-103.3	0	0	0	113	T200 A599 T603 C604 P605 Q608	T200-Y601 WeakPolarHBondContact O-CD1 3.48Å; A599-Y601 PolarHBondContact O-N 2.67Å; Y601-T603 PolarHBondContact O-N 2.73Å; Y601-C604 CarbonylContact O-C 3.25Å; Y601-C604 PolarHBondContact O-N 2.69Å; Y601-C604 VanDerWaalsContact O-N 3.12Å; Y601-P605 HydrophobicContact CE2-CB 4.46Å; Y601-P605 WeakPolarHBondContact O-CA 3.43Å; Y601-Q608 HydrophobicContact CD2-CB 4.28Å; Y601-Q608 HydrophobicContact CD2-CG 4.02Å; Y601-Q608 HydrophobicContact CE2-CB 3.58Å; Y601-Q608 HydrophobicContact CE2-CG 3.28Å; Y601-Q608 PolarHBondContact OH-NE2 3.1Å; Y601-Q608 PolarHBondContact OH-OE1 3.08Å
602	F	71.6	Confident	74	Confident	124 Å²	124	47 Å²	47	54%	0.544	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.9	179	-64.8	-73	0	0	0	113.7	L202 S203 P600	L202-F602 VanDerWaalsContact C-CZ 3.48Å; L202-F602 WeakPolarHBondContact O-CZ 3.32Å; S203-F602 VanDerWaalsContact N-CZ 3.31Å; P600-F602 VanDerWaalsContact C-N 3.32Å; P600-F602 PolarHBondContact O-N 2.94Å
603	T	75.6	Confident	70.9	Confident	18 Å²	18	50.6 Å²	50.6	11%	0.11	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-22.3	178.1	55.1	0	0	0	0	112.8	L329 P373 R374 N376 P600 Y601 P605	L329-T603 WeakPolarHBondContact CD2-O 3.48Å; P373-T603 WeakPolarHBondContact O-CG2 3.26Å; P373-T603 PolarHBondContact O-OG1 3.19Å; R374-T603 WeakPolarHBondContact O-CG2 3.35Å; N376-T603 HydrophobicContact CB-CG2 3.73Å; P600-T603 PolarHBondContact O-N 3.06Å; P600-T603 PolarHBondContact O-OG1 3.12Å; Y601-T603 PolarHBondContact O-N 2.73Å; T603-P605 VanDerWaalsContact C-CD 3.43Å; T603-P605 WeakPolarHBondContact O-CD 3.28Å
604	C	78	Confident	67.9	Low	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.311	C	S	.	.			trans	-124.5	64.1	-177.6	-61.2	0	0	0	0	111	Y309 A599 P600 Y601 N606 L607	Y309-C604 HydrophobicContact CE1-CB 4.27Å; Y309-C604 HydrophobicContact CE2-CB 3.96Å; Y309-C604 WeakPolarHBondContact OH-CA 3.39Å; A599-C604 HydrophobicContact CB-CB 4.17Å; P600-C604 WeakPolarHBondContact O-CB 3.44Å; P600-C604 PolarHBondContact O-N 2.84Å; Y601-C604 CarbonylContact O-C 3.25Å; Y601-C604 PolarHBondContact O-N 2.69Å; Y601-C604 VanDerWaalsContact O-N 3.12Å; C604-N606 PolarHBondContact O-N 2.8Å; C604-L607 HydrophobicContact CB-CD1 3.77Å; C604-L607 HydrophobicContact CB-CG 4.11Å; C604-L607 WeakPolarHBondContact O-CB 3.47Å; C604-L607 PolarHBondContact O-N 3.26Å; C604-L607 VanDerWaalsContact O-N 3.08Å
605	P	69.6	Low	64.9	Low	65 Å²	65	65.6 Å²	65.6	42%	0.422	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-65.7	-24.9	-172.4	26.5	-35.7	0	0	0	113.1	Y601 T603 L607 Q608	Y601-P605 HydrophobicContact CE2-CB 4.46Å; Y601-P605 WeakPolarHBondContact O-CA 3.43Å; T603-P605 VanDerWaalsContact C-CD 3.43Å; T603-P605 WeakPolarHBondContact O-CD 3.28Å; P605-L607 PolarHBondContact O-N 3.3Å; P605-L607 VanDerWaalsContact O-N 3.15Å; P605-Q608 WeakPolarHBondContact O-CB 3.36Å; P605-Q608 PolarHBondContact O-N 3.25Å
606	N	70.3	Confident	61.9	Low	116 Å²	116	76.6 Å²	76.6	62%	0.62	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-66.9	-12.6	177.3	-63.3	-19.3	0	0	0	113.3	S327 C604 Q608	S327-N606 PolarHBondContact OG-ND2 2.68Å; C604-N606 PolarHBondContact O-N 2.8Å; N606-Q608 VanDerWaalsContact C-N 3.31Å
607	L	69.4	Low	59	Low	36 Å²	36	81.4 Å²	81.4	19%	0.188	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-88.5	3.6	173.4	-58.4	-179.6	0	0	0	112.7	T290 Y309 N311 A599 C604 P605 T609	T290-L607 HydrophobicContact CG2-CD1 4.42Å; Y309-L607 HydrophobicContact CD2-CD1 4.27Å; Y309-L607 HydrophobicContact CE2-CD1 3.87Å; Y309-L607 HydrophobicContact CE2-CD2 4.02Å; Y309-L607 HydrophobicContact CE2-CG 3.8Å; N311-L607 HydrophobicContact CB-CD2 3.61Å; A599-L607 HydrophobicContact CB-CD1 3.48Å; A599-L607 VanDerWaalsContact CB-CD1 3.48Å; C604-L607 HydrophobicContact CB-CD1 3.77Å; C604-L607 HydrophobicContact CB-CG 4.11Å; C604-L607 WeakPolarHBondContact O-CB 3.47Å; C604-L607 PolarHBondContact O-N 3.26Å; C604-L607 VanDerWaalsContact O-N 3.08Å; P605-L607 PolarHBondContact O-N 3.3Å; P605-L607 VanDerWaalsContact O-N 3.15Å; L607-T609 PolarHBondContact O-N 3.03Å; L607-T609 VanDerWaalsContact O-N 3.14Å
608	Q	60.7	Low	56	Low	77 Å²	77	84.7 Å²	84.7	36%	0.36	44%	0.441	S	S	.	.	S	Bend	trans	-60.9	120.2	160.7	-128.4	169	-5.8	0	0	106.9	Y601 P605 N606 L610	Y601-Q608 HydrophobicContact CD2-CB 4.28Å; Y601-Q608 HydrophobicContact CD2-CG 4.02Å; Y601-Q608 HydrophobicContact CE2-CB 3.58Å; Y601-Q608 HydrophobicContact CE2-CG 3.28Å; Y601-Q608 PolarHBondContact OH-NE2 3.1Å; Y601-Q608 PolarHBondContact OH-OE1 3.08Å; P605-Q608 WeakPolarHBondContact O-CB 3.36Å; P605-Q608 PolarHBondContact O-N 3.25Å; N606-Q608 VanDerWaalsContact C-N 3.31Å; Q608-L610 VanDerWaalsContact C-N 3.32Å; Q608-L610 PolarHBondContact O-N 3.24Å
609	T	53.9	Low	53.2	Low	92 Å²	92	90.2 Å²	90.2	56%	0.564	48%	0.475	S	S	*	.			trans	-47	110.8	149.8	38.1	0	0	0	0	105.5	L607 Q611	L607-T609 PolarHBondContact O-N 3.03Å; L607-T609 VanDerWaalsContact O-N 3.14Å; T609-Q611 VanDerWaalsContact C-N 3.34Å; T609-Q611 PolarHBondContact O-N 3.15Å
610	L	39.6	Very low	50.8	Low	156 Å²	156	101.4 Å²	101.4	82%	0.817	53%	0.531	S	S	*	.			trans	-45.8	110.5	167.8	-85.5	157.3	0	0	0	104.6	Q608 V612	Q608-L610 VanDerWaalsContact C-N 3.32Å; Q608-L610 PolarHBondContact O-N 3.24Å; L610-V612 PolarHBondContact O-N 2.91Å
611	Q	40.3	Very low	49.3	Very low	77 Å²	77	106.1 Å²	106.1	36%	0.36	56%	0.555	S	S	.	*			trans	-64.3	82.2	167.7	-75.1	173.4	-36.5	0	0	104	E173 T609 P613	E173-Q611 VanDerWaalsContact CD-CD 3.47Å; E173-Q611 VanDerWaalsContact CD-NE2 3.29Å; E173-Q611 PolarHBondContact OE1-NE2 2.94Å; E173-Q611 PolarHBondContact OE1-OE1 3.37Å; T609-Q611 VanDerWaalsContact C-N 3.34Å; T609-Q611 PolarHBondContact O-N 3.15Å; Q611-P613 VanDerWaalsContact O-CD 3.24Å; Q611-P613 WeakPolarHBondContact O-CD 2.93Å; Q611-P613 VanDerWaalsContact O-N 3.13Å
612	V	29.1	Very low	48	Very low	100 Å²	100	109 Å²	109	61%	0.606	57%	0.574	S	S	*	*			trans	-61	116.6	161.1	-176.6	0	0	0	0	102.1	L610 H614	L610-V612 PolarHBondContact O-N 2.91Å; V612-H614 VanDerWaalsContact C-N 3.34Å; V612-H614 PolarHBondContact O-N 3.07Å
613	P	29.4	Very low	46.6	Very low	85 Å²	85	108.2 Å²	108.2	55%	0.552	58%	0.575	S	S	*	*			trans	-60.5	111.1	171	4.2	5.6	0	0	0	104	Q611 H615	Q611-P613 VanDerWaalsContact O-CD 3.24Å; Q611-P613 WeakPolarHBondContact O-CD 2.93Å; Q611-P613 VanDerWaalsContact O-N 3.13Å; P613-H615 HydrophobicContact CB-CB 4.33Å; P613-H615 PolarHBondContact O-N 2.81Å
614	H	33.8	Very low	44.9	Very low	179 Å²	179	113.5 Å²	113.5	83%	0.829	60%	0.603	S	S	*	*			trans	-69.2	59.3	155.9	-75.8	-59.9	0	0	0	107.4	V612 R616	V612-H614 VanDerWaalsContact C-N 3.34Å; V612-H614 PolarHBondContact O-N 3.07Å; H614-R616 PolarHBondContact O-N 2.88Å
615	H	32.3	Very low	42.9	Very low	147 Å²	147	120.6 Å²	120.6	68%	0.681	64%	0.64	S	S	*	*			trans	-65.8	77.6	151.4	-81.4	-29.8	0	0	0	106	P613 I617	P613-H615 HydrophobicContact CB-CB 4.33Å; P613-H615 PolarHBondContact O-N 2.81Å; H615-I617 HydrophobicContact CB-CD1 4.3Å; H615-I617 HydrophobicContact CB-CG1 4.05Å; H615-I617 PolarHBondContact O-N 3.37Å
616	R	33.2	Very low	41.1	Very low	242 Å²	242	124.3 Å²	124.3	91%	0.913	66%	0.655	S	S	*	*			trans	-65.5	81.6	139.8	-82.5	-172.4	176.7	179.7	0.9	105.3	H614 G618	H614-R616 PolarHBondContact O-N 2.88Å; R616-G618 PolarHBondContact O-N 2.94Å
617	I	33.3	Very low	39	Very low	126 Å²	126	124.9 Å²	124.9	65%	0.646	66%	0.658	S	S	*	*			trans	-66.9	87.6	155.1	-65.4	163.5	0	0	0	103.6	H615 T619	H615-I617 HydrophobicContact CB-CD1 4.3Å; H615-I617 HydrophobicContact CB-CG1 4.05Å; H615-I617 PolarHBondContact O-N 3.37Å; I617-T619 HydrophobicContact CG2-CG2 4.04Å; I617-T619 PolarHBondContact O-N 3.4Å
618	G	29.3	Very low	36.7	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	69%	0.694	S	S	*	*			trans	-68.4	90.4	156.9	0	0	0	0	0	106.3	R616 I620	R616-G618 PolarHBondContact O-N 2.94Å; G618-I620 PolarHBondContact O-N 3.28Å
619	T	29.5	Very low	34.7	Very low	121 Å²	121	136.3 Å²	136.3	74%	0.742	72%	0.721	S	S	*	*			trans	-63.6	107.4	151.3	41.6	0	0	0	0	107	I617	I617-T619 HydrophobicContact CG2-CG2 4.04Å; I617-T619 PolarHBondContact O-N 3.4Å
620	I	32.5	Very low	32.9	Very low	241 Å²	241	140.3 Å²	140.3	100%	1.236	74%	0.736	S	S	*	*			trans	-118.4	0	142.6	-63.8	-180	0	0	0	106	G618	G618-I620 PolarHBondContact O-N 3.28Å

Retrieved 620 of 620 residues in 774.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).