A0A096N6X1_PAPAN Loading...

Nicastrin

Essential subunit of the gamma-secretase complex, an endoprotease complex that catalyzes the intramembrane cleavage of integral membrane proteins such as Notch receptors and APP (amyloid-beta precursor protein). The gamma-secretase complex plays a role in Notch and Wnt signaling cascades and regulation of downstream processes via its role in processing key regulatory proteins, and by regulating cytosolic CTNNB1 levels.

AlphaFold DB (Q4R7R0), UniProt , Accession A0A096N6X1, Species PAPAN (Papio anubis, Olive baboon), Gene NCSTN, Length 709 aa.

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(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	32.8	Very low	34.5	Very low	246 Å²	246	114.8 Å²	114.8	100%	1.212	86%	0.861	S	S	*	*				0	127.4	0	-116.6	173.7	178.2	0	0	107.6
2	A	31.6	Very low	35.4	Very low	103 Å²	103	114.7 Å²	114.7	85%	0.851	85%	0.851	S	S	*	*			trans	59.6	116.2	164.7	0	0	0	0	0	120.3
3	T	41	Very low	36.1	Very low	142 Å²	142	109.2 Å²	109.2	87%	0.871	82%	0.82	S	S	*	*			trans	-60	150.1	162.3	46.4	0	0	0	0	114.6
4	A	31.1	Very low	37	Very low	103 Å²	103	106.8 Å²	106.8	85%	0.851	80%	0.799	S	S	*	*			trans	-165.2	129.9	132.4	0	0	0	0	0	110.6
5	G	34.4	Very low	37.7	Very low	87 Å²	87	113.3 Å²	113.3	90%	0.897	80%	0.797	S	S	*	*			trans	-80.9	159.1	178.8	0	0	0	0	0	113.7
6	G	26.8	Very low	38.7	Very low	80 Å²	80	108.4 Å²	108.4	83%	0.825	77%	0.77	S	S	*	*			trans	-148	99	164	0	0	0	0	0	107.7
7	G	37.5	Very low	39.5	Very low	89 Å²	89	108.8 Å²	108.8	92%	0.918	76%	0.76	S	S	*	*			trans	-74.2	131.2	174.4	0	0	0	0	0	110.6
8	S	33.9	Very low	40.2	Very low	114 Å²	114	109.6 Å²	109.6	80%	0.797	75%	0.754	S	S	*	*			trans	-115.1	113.1	152.7	63.2	0	0	0	0	106.6	A10	S8-A10 PolarHBondContact O-N 3.34Å
9	G	33.8	Very low	41.1	Very low	78 Å²	78	114.4 Å²	114.4	80%	0.804	75%	0.754	S	S	*	*			trans	-52.2	128.5	-178.4	0	0	0	0	0	111.2	D11	G9-D11 PolarHBondContact O-N 2.67Å; G9-D11 VanDerWaalsContact O-N 3.11Å
10	A	35.9	Very low	42	Very low	91 Å²	91	114.7 Å²	114.7	75%	0.752	75%	0.748	S	S	*	*			trans	-64	111.7	164	0	0	0	0	0	107.2	S8 P12	S8-A10 PolarHBondContact O-N 3.34Å; A10-P12 WeakPolarHBondContact O-CD 3.5Å; A10-P12 VanDerWaalsContact O-N 3.16Å
11	D	41.2	Very low	42.7	Very low	130 Å²	130	114.2 Å²	114.2	70%	0.695	74%	0.738	S	S	*	*			trans	-52.9	117.5	179.2	-138.7	-13	0	0	0	109.5	G9 G13 S14	G9-D11 PolarHBondContact O-N 2.67Å; G9-D11 VanDerWaalsContact O-N 3.11Å; D11-G13 PolarHBondContact O-N 3.25Å; D11-S14 PolarHBondContact O-N 3.5Å
12	P	44.6	Very low	43.8	Very low	113 Å²	113	105.9 Å²	105.9	73%	0.734	71%	0.705	S	S	*	*	H	α-helix	trans	-62	-18.5	-175.1	-19.8	30.4	0	0	0	113	A10	A10-P12 WeakPolarHBondContact O-CD 3.5Å; A10-P12 VanDerWaalsContact O-N 3.16Å
13	G	44.2	Very low	45.2	Very low	44 Å²	44	107.5 Å²	107.5	45%	0.454	69%	0.692	S	S	.	*	H	α-helix	trans	-68	-34.4	-178	0	0	0	0	0	114.7	D11 G16 L17	D11-G13 PolarHBondContact O-N 3.25Å; G13-G16 PolarHBondContact O-N 3.26Å; G13-L17 PolarHBondContact O-N 3.39Å
14	S	49.2	Very low	45.9	Very low	75 Å²	75	104.1 Å²	104.1	52%	0.524	67%	0.674	S	S	.	*	H	α-helix	trans	-74.2	-39.4	-171.8	176.1	0	0	0	0	113.2	D11 L18	D11-S14 PolarHBondContact O-N 3.5Å; S14-L18 PolarHBondContact O-N 3.01Å
15	R	48.2	Very low	47.2	Very low	204 Å²	204	104.1 Å²	104.1	77%	0.77	66%	0.663	S	S	*	*	H	α-helix	trans	-73.8	-29.8	174.4	-79.1	-177.8	172.5	-178.3	-1.3	112.8	R19	R15-R19 WeakPolarHBondContact O-CB 3.3Å; R15-R19 WeakPolarHBondContact O-CG 3.44Å; R15-R19 PolarHBondContact O-N 2.84Å
16	G	52.6	Low	48.1	Very low	36 Å²	36	105.5 Å²	105.5	37%	0.371	65%	0.649	S	S	.	*	H	α-helix	trans	-65.2	-46.5	171.8	0	0	0	0	0	111.6	G13 R19 L20	G13-G16 PolarHBondContact O-N 3.26Å; G16-R19 PolarHBondContact O-N 3.24Å; G16-L20 WeakPolarHBondContact O-CB 3.41Å; G16-L20 PolarHBondContact O-N 2.98Å
17	L	52.5	Low	49.2	Very low	115 Å²	115	105.8 Å²	105.8	60%	0.602	63%	0.631	S	S	*	*	H	α-helix	trans	-63.5	-44.9	-179.9	-125.9	91.7	0	0	0	112.8	G13 R19 L20 L21	G13-L17 PolarHBondContact O-N 3.39Å; L17-R19 VanDerWaalsContact C-N 3.35Å; L17-R19 PolarHBondContact O-N 2.99Å; L17-L20 PolarHBondContact O-N 2.68Å; L17-L21 HydrophobicContact CD2-CD1 4.5Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 PolarHBondContact O-N 3.46Å
18	L	52.4	Low	49.8	Very low	123 Å²	123	105 Å²	105	64%	0.644	62%	0.616	S	S	*	*	H	α-helix	trans	-65.6	-36.8	178.1	-103.5	125.6	0	0	0	112.4	S14 S22	S14-L18 PolarHBondContact O-N 3.01Å; L18-S22 WeakPolarHBondContact O-CB 3.25Å; L18-S22 PolarHBondContact O-N 3.45Å
19	R	57.1	Low	50.4	Low	201 Å²	201	102.5 Å²	102.5	76%	0.758	61%	0.608	S	S	*	*	H	α-helix	trans	-70.8	-37.4	173.6	-74.9	-176.2	177	-165.9	-0.6	111.9	R15 G16 L17 S22 F23	R15-R19 WeakPolarHBondContact O-CB 3.3Å; R15-R19 WeakPolarHBondContact O-CG 3.44Å; R15-R19 PolarHBondContact O-N 2.84Å; G16-R19 PolarHBondContact O-N 3.24Å; L17-R19 VanDerWaalsContact C-N 3.35Å; L17-R19 PolarHBondContact O-N 2.99Å; R19-S22 PolarHBondContact O-N 3.2Å; R19-F23 WeakPolarHBondContact O-CB 3.09Å; R19-F23 PolarHBondContact O-N 3.29Å
20	L	58.5	Low	50.9	Low	119 Å²	119	105.4 Å²	105.4	62%	0.623	61%	0.605	S	S	*	*	H	α-helix	trans	-64.8	-44.9	174.3	-135.3	88.7	0	0	0	111.2	G16 L17 F23 C24	G16-L20 WeakPolarHBondContact O-CB 3.41Å; G16-L20 PolarHBondContact O-N 2.98Å; L17-L20 PolarHBondContact O-N 2.68Å; L20-F23 PolarHBondContact O-N 3.08Å; L20-C24 VanDerWaalsContact O-CB 3.32Å; L20-C24 WeakPolarHBondContact O-CB 3.39Å; L20-C24 PolarHBondContact O-N 3.27Å; L20-C24 PolarHBondContact O-SG 3.33Å
21	L	57.3	Low	51.3	Low	105 Å²	105	105.8 Å²	105.8	55%	0.55	60%	0.601	S	S	.	*	H	α-helix	trans	-61.3	-45.2	175.3	-99.2	140.9	0	0	0	111.5	L17 F23 C24 V25	L17-L21 HydrophobicContact CD2-CD1 4.5Å; L17-L21 WeakPolarHBondContact O-CB 3.42Å; L17-L21 PolarHBondContact O-N 3.46Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.32Å; L21-C24 PolarHBondContact O-N 2.87Å; L21-V25 WeakPolarHBondContact O-CB 3.38Å; L21-V25 VanDerWaalsContact O-CG2 3.26Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 2.87Å
22	S	56.5	Low	51.7	Low	72 Å²	72	111.5 Å²	111.5	50%	0.503	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-35.2	177.3	-149.3	0	0	0	0	112	L18 R19 L26	L18-S22 WeakPolarHBondContact O-CB 3.25Å; L18-S22 PolarHBondContact O-N 3.45Å; R19-S22 PolarHBondContact O-N 3.2Å; S22-L26 WeakPolarHBondContact O-CB 3.38Å; S22-L26 WeakPolarHBondContact O-CD1 3.49Å; S22-L26 WeakPolarHBondContact O-CG 3.04Å; S22-L26 PolarHBondContact O-N 3.23Å
23	F	60.9	Low	52.1	Low	136 Å²	136	108.9 Å²	108.9	60%	0.596	61%	0.607	S	S	*	*	H	α-helix	trans	-72.1	-36.5	175.2	-160.5	-102.9	0	0	0	112.1	R19 L20 L21 L26 L27	R19-F23 WeakPolarHBondContact O-CB 3.09Å; R19-F23 PolarHBondContact O-N 3.29Å; L20-F23 PolarHBondContact O-N 3.08Å; L21-F23 VanDerWaalsContact C-N 3.32Å; L21-F23 PolarHBondContact O-N 3.32Å; F23-L26 PolarHBondContact O-N 3.25Å; F23-L27 HydrophobicContact CD1-CD1 3.5Å; F23-L27 HydrophobicContact CD1-CG 4.37Å; F23-L27 HydrophobicContact CE1-CD1 3.58Å; F23-L27 HydrophobicContact CE1-CG 4.34Å; F23-L27 HydrophobicContact CG-CD1 4.49Å; F23-L27 WeakPolarHBondContact O-CB 3.35Å; F23-L27 WeakPolarHBondContact O-CG 3.29Å; F23-L27 PolarHBondContact O-N 3.4Å
24	C	56	Low	53.6	Low	72 Å²	72	112.7 Å²	112.7	49%	0.486	62%	0.617	S	S	.	*	H	α-helix	trans	-68.8	-37.6	173.3	-73.4	0	0	0	0	112.5	L20 L21 L27 A28	L20-C24 VanDerWaalsContact O-CB 3.32Å; L20-C24 WeakPolarHBondContact O-CB 3.39Å; L20-C24 PolarHBondContact O-N 3.27Å; L20-C24 PolarHBondContact O-SG 3.33Å; L21-C24 PolarHBondContact O-N 2.87Å; C24-L27 PolarHBondContact O-N 2.84Å; C24-A28 WeakPolarHBondContact O-CB 3.42Å; C24-A28 PolarHBondContact O-N 2.88Å
25	V	58	Low	55.5	Low	102 Å²	102	112.9 Å²	112.9	62%	0.618	62%	0.618	S	S	*	*	H	α-helix	trans	-68.6	-37.5	173.7	172	0	0	0	0	111	L21 A28 G29	L21-V25 WeakPolarHBondContact O-CB 3.38Å; L21-V25 VanDerWaalsContact O-CG2 3.26Å; L21-V25 WeakPolarHBondContact O-CG2 3.47Å; L21-V25 PolarHBondContact O-N 2.87Å; V25-A28 PolarHBondContact O-N 2.95Å; V25-G29 PolarHBondContact O-N 3.17Å
26	L	52.6	Low	57.7	Low	117 Å²	117	107.1 Å²	107.1	61%	0.613	61%	0.605	S	S	*	*	H	α-helix	trans	-67	-37.9	172.3	-80.7	160.1	0	0	0	112.5	S22 F23 G29	S22-L26 WeakPolarHBondContact O-CB 3.38Å; S22-L26 WeakPolarHBondContact O-CD1 3.49Å; S22-L26 WeakPolarHBondContact O-CG 3.04Å; S22-L26 PolarHBondContact O-N 3.23Å; F23-L26 PolarHBondContact O-N 3.25Å; L26-G29 PolarHBondContact O-N 3.04Å
27	L	50.2	Low	59.5	Low	85 Å²	85	109.7 Å²	109.7	45%	0.445	61%	0.608	S	S	.	*	H	α-helix	trans	-69.6	-36.2	173.7	-82.9	160.8	0	0	0	112.6	F23 C24 G29 L30 C31	F23-L27 HydrophobicContact CD1-CD1 3.5Å; F23-L27 HydrophobicContact CD1-CG 4.37Å; F23-L27 HydrophobicContact CE1-CD1 3.58Å; F23-L27 HydrophobicContact CE1-CG 4.34Å; F23-L27 HydrophobicContact CG-CD1 4.49Å; F23-L27 WeakPolarHBondContact O-CB 3.35Å; F23-L27 WeakPolarHBondContact O-CG 3.29Å; F23-L27 PolarHBondContact O-N 3.4Å; C24-L27 PolarHBondContact O-N 2.84Å; L27-G29 PolarHBondContact O-N 3.13Å; L27-L30 PolarHBondContact O-N 3.38Å; L27-C31 PolarHBondContact O-N 2.89Å
28	A	49.8	Very low	61.4	Low	72 Å²	72	115 Å²	115	60%	0.595	62%	0.62	S	S	*	*	H	α-helix	trans	-64.4	-30.2	173.9	0	0	0	0	0	112.1	C24 V25 L30	C24-A28 WeakPolarHBondContact O-CB 3.42Å; C24-A28 PolarHBondContact O-N 2.88Å; V25-A28 PolarHBondContact O-N 2.95Å; A28-L30 VanDerWaalsContact C-N 3.25Å; A28-L30 PolarHBondContact O-N 3.4Å
29	G	47.2	Very low	63.4	Low	62 Å²	62	117.7 Å²	117.7	64%	0.639	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-16.5	171.9	0	0	0	0	0	114.9	V25 L26 L27	V25-G29 PolarHBondContact O-N 3.17Å; L26-G29 PolarHBondContact O-N 3.04Å; L27-G29 PolarHBondContact O-N 3.13Å
30	L	43.2	Very low	65.2	Low	139 Å²	139	111.5 Å²	111.5	73%	0.728	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-14	-179.9	-77.9	153.4	0	0	0	113.3	L27 A28 R32	L27-L30 PolarHBondContact O-N 3.38Å; A28-L30 VanDerWaalsContact C-N 3.25Å; A28-L30 PolarHBondContact O-N 3.4Å; L30-R32 PolarHBondContact O-N 3.31Å; L30-R32 VanDerWaalsContact O-N 3.11Å
31	C	44.4	Very low	67	Low	100 Å²	100	108.6 Å²	108.6	68%	0.676	59%	0.589	S	S	*	*			trans	-84.4	74.6	172.7	-70.8	0	0	0	0	111.2	L27 G33	L27-C31 PolarHBondContact O-N 2.89Å; C31-G33 PolarHBondContact O-N 2.91Å
32	R	51.3	Low	68.9	Low	249 Å²	249	107.7 Å²	107.7	94%	0.94	58%	0.584	S	S	*	*			trans	-72.4	85	162.7	-79.8	-172.3	177.2	-174.4	0.1	109.5	L30	L30-R32 PolarHBondContact O-N 3.31Å; L30-R32 VanDerWaalsContact O-N 3.11Å
33	G	51.4	Low	70.8	Confident	59 Å²	59	107.9 Å²	107.9	61%	0.608	58%	0.583	S	S	*	*			trans	-160.9	61.6	177.3	0	0	0	0	0	111.5	C31 S35	C31-G33 PolarHBondContact O-N 2.91Å; G33-S35 VanDerWaalsContact C-N 3.34Å; G33-S35 PolarHBondContact O-N 3.4Å
34	N	77.4	Confident	72.5	Confident	124 Å²	124	102 Å²	102	66%	0.663	56%	0.558	S	S	*	*			trans	-68	92	174.2	-73.8	35.2	0	0	0	109.5	V36 E37	N34-V36 PolarHBondContact O-N 2.82Å; N34-E37 HydrophobicContact CB-CG 4.29Å; N34-E37 PolarHBondContact O-N 2.88Å
35	S	89	Confident	74.3	Confident	78 Å²	78	104.3 Å²	104.3	55%	0.545	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-16.3	175.4	60.9	0	0	0	0	113	G33 E37 R38	G33-S35 VanDerWaalsContact C-N 3.34Å; G33-S35 PolarHBondContact O-N 3.4Å; S35-E37 VanDerWaalsContact C-N 3.27Å; S35-E37 PolarHBondContact O-N 3.49Å; S35-R38 WeakPolarHBondContact O-CB 3.36Å; S35-R38 PolarHBondContact O-N 2.72Å
36	V	93.3	Very high	76.1	Confident	84 Å²	84	105.1 Å²	105.1	51%	0.509	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62	-33.6	175.8	-179	0	0	0	0	111.7	N34 R38 K39 I40	N34-V36 PolarHBondContact O-N 2.82Å; V36-R38 PolarHBondContact O-N 3.46Å; V36-K39 WeakPolarHBondContact O-CA 3.47Å; V36-K39 WeakPolarHBondContact O-CB 3.09Å; V36-K39 PolarHBondContact O-N 2.93Å; V36-I40 HydrophobicContact CG1-CD1 3.82Å; V36-I40 HydrophobicContact CG1-CG1 4.43Å; V36-I40 PolarHBondContact O-N 3.33Å
37	E	91.6	Very high	78.1	Confident	90 Å²	90	101 Å²	101	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-57.3	-38.8	175.7	-70.5	-70.5	134.7	0	0	111.4	N34 S35 K39 I40 Y41	N34-E37 HydrophobicContact CB-CG 4.29Å; N34-E37 PolarHBondContact O-N 2.88Å; S35-E37 VanDerWaalsContact C-N 3.27Å; S35-E37 PolarHBondContact O-N 3.49Å; E37-K39 PolarHBondContact O-N 3.46Å; E37-I40 PolarHBondContact O-N 2.95Å; E37-I40 VanDerWaalsContact O-N 3.11Å; E37-Y41 PolarHBondContact O-N 3.45Å; E37-Y41 WeakPolarHBondContact OE2-CD2 3.43Å; E37-Y41 WeakPolarHBondContact OE2-CE2 3.46Å
38	R	92.2	Very high	80.4	Confident	227 Å²	227	97 Å²	97	86%	0.857	52%	0.52	S	S	*	.	H	α-helix	trans	-69.3	-16.1	177.1	-61.1	-176.6	179.3	178.8	-1.2	113.5	S35 V36	S35-R38 WeakPolarHBondContact O-CB 3.36Å; S35-R38 PolarHBondContact O-N 2.72Å; V36-R38 PolarHBondContact O-N 3.46Å
39	K	93.2	Very high	82.6	Confident	178 Å²	178	93.8 Å²	93.8	77%	0.774	49%	0.493	S	S	*	.	H	α-helix	trans	-86.7	-17.8	174	-61	-171.8	174.4	-172.7	0	112.6	V36 E37	V36-K39 WeakPolarHBondContact O-CA 3.47Å; V36-K39 WeakPolarHBondContact O-CB 3.09Å; V36-K39 PolarHBondContact O-N 2.93Å; E37-K39 PolarHBondContact O-N 3.46Å
40	I	95.1	Very high	85	Confident	72 Å²	72	91 Å²	91	37%	0.369	46%	0.463	S	S	.	.	H	α-helix	trans	-108.2	-50	-172.6	-59.8	170.9	0	0	0	110.4	V36 E37 F661	V36-I40 HydrophobicContact CG1-CD1 3.82Å; V36-I40 HydrophobicContact CG1-CG1 4.43Å; V36-I40 PolarHBondContact O-N 3.33Å; E37-I40 PolarHBondContact O-N 2.95Å; E37-I40 VanDerWaalsContact O-N 3.11Å; I40-F661 HydrophobicContact CG2-CB 4.1Å; I40-F661 WeakPolarHBondContact O-CA 3.26Å; I40-F661 WeakPolarHBondContact O-CB 3.36Å
41	Y	96.8	Very high	87.6	Confident	57 Å²	57	84.6 Å²	84.6	22%	0.224	43%	0.43	C	S	.	.			trans	-109.8	134.1	-168.2	-56.8	-74.7	0	0	0	112	E37 R659 F661	E37-Y41 PolarHBondContact O-N 3.45Å; E37-Y41 WeakPolarHBondContact OE2-CD2 3.43Å; E37-Y41 WeakPolarHBondContact OE2-CE2 3.46Å; Y41-R659 HydrophobicContact CD1-CG 4.17Å; Y41-R659 VanDerWaalsContact CE1-CZ 3.41Å; Y41-F661 HydrophobicContact CD1-CB 3.61Å; Y41-F661 AromaticContact CD1-CD1 3.55Å; Y41-F661 HydrophobicContact CD1-CD1 3.55Å; Y41-F661 HydrophobicContact CD1-CD2 4.42Å; Y41-F661 HydrophobicContact CD1-CE1 4.3Å; Y41-F661 AromaticContact CD1-CG 3.63Å; Y41-F661 HydrophobicContact CD1-CG 3.63Å; Y41-F661 HydrophobicContact CE1-CB 3.95Å; Y41-F661 AromaticContact CE1-CD1 3.58Å; Y41-F661 HydrophobicContact CE1-CD1 3.58Å; Y41-F661 AromaticContact CE1-CD2 3.91Å; Y41-F661 HydrophobicContact CE1-CD2 3.91Å; Y41-F661 AromaticContact CE1-CE1 3.98Å; Y41-F661 HydrophobicContact CE1-CE1 3.98Å; Y41-F661 HydrophobicContact CE1-CE2 4.27Å; Y41-F661 AromaticContact CE1-CG 3.55Å; Y41-F661 HydrophobicContact CE1-CG 3.55Å; Y41-F661 HydrophobicContact CE1-CZ 4.3Å; Y41-F661 HydrophobicContact CG-CB 4.49Å
42	I	97.4	Very high	90.2	Very high	87 Å²	87	80 Å²	80	45%	0.446	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.9	165.5	-57.8	172.7	0	0	0	106.9	R659 I660	I42-R659 VanDerWaalsContact O-CA 3.3Å; I42-R659 WeakPolarHBondContact O-CA 3.38Å; I42-I660 HydrophobicContact CB-CD1 4.35Å; I42-I660 HydrophobicContact CB-CG1 3.77Å; I42-I660 HydrophobicContact CD1-CD1 4.38Å; I42-I660 HydrophobicContact CD1-CG1 4.45Å; I42-I660 HydrophobicContact CG2-CG1 4.37Å; I42-I660 PolarHBondContact N-O 3.48Å; I42-I660 PolarHBondContact O-N 2.91Å
43	P	96.9	Very high	92.4	Very high	76 Å²	76	68.7 Å²	68.7	49%	0.494	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.3	175.1	30.1	-32.9	0	0	0	110.6
44	L	96.3	Very high	94.6	Very high	12 Å²	12	65.9 Å²	65.9	6%	0.063	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.9	168.3	-53.5	-179.7	0	0	0	107.8	T47 L183 E188 I192 M215 A658 I660	L44-T47 HydrophobicContact CB-CG2 3.68Å; L44-L183 HydrophobicContact CD1-CD2 4.02Å; L44-E188 HydrophobicContact CD2-CB 4.46Å; L44-I192 HydrophobicContact CD1-CD1 3.84Å; L44-I192 HydrophobicContact CD2-CD1 4.06Å; L44-I192 HydrophobicContact CD2-CG1 4.29Å; L44-M215 HydrophobicContact CD1-SD 3.97Å; L44-A658 HydrophobicContact CB-CB 4.09Å; L44-A658 HydrophobicContact CD1-CB 3.91Å; L44-A658 HydrophobicContact CG-CB 4.3Å; L44-A658 PolarHBondContact N-O 2.88Å; L44-I660 HydrophobicContact CD1-CG2 4.44Å
45	N	94.1	Very high	95.5	Very high	121 Å²	121	61.4 Å²	61.4	65%	0.647	30%	0.304	S	S	*	.			trans	-102.8	-33.4	-169.2	-53.1	-67.5	0	0	0	112.3	E188	N45-E188 WeakPolarHBondContact CA-OE1 3.37Å; N45-E188 WeakPolarHBondContact CB-OE1 3.45Å; N45-E188 PolarHBondContact N-OE1 3.46Å; N45-E188 PolarHBondContact N-OE2 3.28Å; N45-E188 PolarHBondContact ND2-OE1 2.91Å
46	K	94.6	Very high	95.8	Very high	119 Å²	119	58.3 Å²	58.3	52%	0.517	28%	0.283	S	S	.	.	S	Bend	trans	-106	71.1	-174.9	-65.5	-59.9	-172	176.8	0	110.4	E184 D185 E188	K46-E184 HydrophobicContact CB-CB 4.28Å; K46-E184 PolarHBondContact O-N 2.82Å; K46-D185 HydrophobicContact CB-CB 3.92Å; K46-D185 HydrophobicContact CG-CB 4.29Å; K46-E188 PolarHBondContact N-OE1 3.01Å; K46-E188 PolarHBondContact N-OE2 3.13Å; K46-E188 VanDerWaalsContact N-OE2 3.11Å
47	T	95.6	Very high	95.9	Very high	29 Å²	29	58.6 Å²	58.6	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	138	-177.1	65.9	0	0	0	0	112.6	L44 L182 L183 A658	L44-T47 HydrophobicContact CB-CG2 3.68Å; T47-L182 CarbonylContact C-O 3.45Å; T47-L182 VanDerWaalsContact CA-O 3.23Å; T47-L182 WeakPolarHBondContact CA-O 3.29Å; T47-L183 HydrophobicContact CG2-CD2 3.86Å; T47-A658 HydrophobicContact CG2-CB 4.43Å
48	A	97.1	Very high	96	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.025	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.2	170.3	0	0	0	0	0	110.8	F181 L182 F288 V291	A48-F181 CarbonylContact O-C 3.44Å; A48-F181 WeakPolarHBondContact O-CA 3.39Å; A48-L182 HydrophobicContact CB-CB 4.19Å; A48-L182 HydrophobicContact CB-CD2 4.49Å; A48-L182 PolarHBondContact N-O 2.83Å; A48-L182 PolarHBondContact O-N 3.29Å; A48-F288 HydrophobicContact CB-CB 4.05Å; A48-F288 VanDerWaalsContact O-CD1 3.28Å; A48-F288 WeakPolarHBondContact O-CD1 3.39Å; A48-V291 HydrophobicContact CB-CG2 3.46Å; A48-V291 VanDerWaalsContact CB-CG2 3.46Å
49	P	97.5	Very high	96.2	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	153.2	-179.4	34.8	-38.7	0	0	0	111.9	V51 F181 W289 I656	P49-V51 HydrophobicContact CB-CG2 4.41Å; P49-V51 HydrophobicContact CG-CG2 3.96Å; P49-F181 HydrophobicContact CB-CD1 4.48Å; P49-F181 HydrophobicContact CB-CE1 4.13Å; P49-F181 HydrophobicContact CB-CE2 4.42Å; P49-F181 HydrophobicContact CB-CZ 4.11Å; P49-W289 HydrophobicContact CG-CB 4.28Å; P49-W289 HydrophobicContact CG-CE3 3.93Å; P49-W289 WeakPolarHBondContact O-CB 3.47Å; P49-W289 PolarHBondContact O-N 3.21Å; P49-I656 HydrophobicContact CB-CD1 4.07Å; P49-I656 HydrophobicContact CB-CG2 3.74Å; P49-I656 HydrophobicContact CG-CD1 3.67Å; P49-I656 HydrophobicContact CG-CG2 3.84Å
50	C	97.9	Very high	96.4	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	22%	0.224	C	C	.	.			trans	-76.3	128.2	154.9	171.1	0	0	0	0	109.1	G61 C62 I180 F287	C50-G61 VanDerWaalsContact SG-C 3.59Å; C50-C62 HydrophobicContact CB-CB 3.6Å; C50-C62 WeakPolarHBondContact CB-SG 3.3Å; C50-C62 WeakPolarHBondContact SG-CB 3.36Å; C50-C62 PolarHBondContact SG-N 2.87Å; C50-C62 CovalentContact SG-SG 2.03Å; C50-C62 PolarHBondContact SG-SG 3.14Å; C50-I180 HydrophobicContact CB-CB 4.02Å; C50-I180 VanDerWaalsContact CB-O 3.26Å; C50-I180 WeakPolarHBondContact CB-O 3.28Å; C50-I180 PolarHBondContact N-O 2.86Å; C50-F287 HydrophobicContact CB-CD1 4.39Å; C50-F287 HydrophobicContact CB-CE1 3.74Å; C50-F287 HydrophobicContact CB-CZ 4.32Å
51	V	97.4	Very high	96.5	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.036	21%	0.209	C	C	.	.			trans	-114.6	148.4	-172.9	169.6	0	0	0	0	110.6	P49 L53 G61 M221 W289 E650 W653 I656	P49-V51 HydrophobicContact CB-CG2 4.41Å; P49-V51 HydrophobicContact CG-CG2 3.96Å; V51-L53 HydrophobicContact CB-CD1 4.5Å; V51-L53 HydrophobicContact CG1-CD1 4.31Å; V51-L53 WeakPolarHBondContact O-CD1 3.47Å; V51-G61 WeakPolarHBondContact O-CA 3.42Å; V51-M221 HydrophobicContact CB-CE 4.18Å; V51-M221 HydrophobicContact CG1-CE 4.14Å; V51-M221 HydrophobicContact CG1-SD 4.1Å; V51-M221 HydrophobicContact CG2-CE 3.94Å; V51-W289 HydrophobicContact CB-CB 3.97Å; V51-W289 HydrophobicContact CB-CG 4.32Å; V51-W289 HydrophobicContact CG2-CB 3.34Å; V51-W289 HydrophobicContact CG2-CD2 4.2Å; V51-W289 HydrophobicContact CG2-CG 3.62Å; V51-E650 HydrophobicContact CG1-CG 4.19Å; V51-W653 HydrophobicContact CB-CZ3 4.46Å; V51-W653 HydrophobicContact CG1-CE3 3.82Å; V51-W653 HydrophobicContact CG1-CH2 4.04Å; V51-W653 HydrophobicContact CG1-CZ3 3.31Å; V51-W653 HydrophobicContact CG2-CH2 4.44Å; V51-W653 HydrophobicContact CG2-CZ3 4.28Å; V51-I656 HydrophobicContact CG2-CD1 4.4Å
52	R	98.2	Very high	96.5	Very high	4 Å²	4	37 Å²	37	2%	0.015	20%	0.198	C	C	.	.			trans	-76.8	123.1	175.7	177	168	-72	155.8	2.1	111.8	L54 I60 Q63 D175 M221 A223 S651	R52-L54 HydrophobicContact CG-CD2 4.42Å; R52-L54 HydrophobicContact CG-CG 4.48Å; R52-I60 VanDerWaalsContact CA-O 3.32Å; R52-I60 WeakPolarHBondContact CA-O 3.49Å; R52-Q63 VanDerWaalsContact NH2-CB 3.29Å; R52-D175 IonicContact NH2-OD1 2.74Å; R52-M221 HydrophobicContact CB-CB 3.91Å; R52-M221 HydrophobicContact CB-CG 3.64Å; R52-M221 HydrophobicContact CB-SD 4.19Å; R52-A223 WeakPolarHBondContact CD-O 3.37Å; R52-A223 PolarHBondContact NH1-O 2.74Å; R52-S651 WeakPolarHBondContact O-CB 3.35Å; R52-S651 PolarHBondContact O-N 2.91Å
53	L	98.1	Very high	96.5	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	154.5	167.2	-74.2	76.7	0	0	0	109.5	V51 Q59 I60 L251 F335 W648 T649	V51-L53 HydrophobicContact CB-CD1 4.5Å; V51-L53 HydrophobicContact CG1-CD1 4.31Å; V51-L53 WeakPolarHBondContact O-CD1 3.47Å; L53-Q59 WeakPolarHBondContact O-CA 3.48Å; L53-I60 HydrophobicContact CB-CD1 4.06Å; L53-I60 HydrophobicContact CB-CG1 3.75Å; L53-I60 PolarHBondContact N-O 3.44Å; L53-I60 PolarHBondContact O-N 2.9Å; L53-L251 HydrophobicContact CD2-CD1 4.01Å; L53-F335 HydrophobicContact CD2-CD1 4.35Å; L53-F335 HydrophobicContact CD2-CE1 3.35Å; L53-F335 HydrophobicContact CD2-CZ 3.65Å; L53-W648 HydrophobicContact CB-CE3 4.06Å; L53-W648 HydrophobicContact CB-CZ3 4.07Å; L53-W648 HydrophobicContact CD2-CE3 4.47Å; L53-T649 CarbonylContact C-O 3.37Å; L53-T649 WeakPolarHBondContact CA-O 3.24Å
54	L	98	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.3	-175.9	-60.6	161.6	0	0	0	109.8	R52 Q59 A223 T227 C230 C248 W648 T649	R52-L54 HydrophobicContact CG-CD2 4.42Å; R52-L54 HydrophobicContact CG-CG 4.48Å; L54-Q59 HydrophobicContact CD2-CB 3.37Å; L54-A223 HydrophobicContact CD1-CB 3.51Å; L54-T227 VanDerWaalsContact C-OG1 3.26Å; L54-T227 WeakPolarHBondContact CB-OG1 3.39Å; L54-T227 PolarHBondContact O-OG1 3Å; L54-T227 VanDerWaalsContact O-OG1 3.04Å; L54-C230 HydrophobicContact CD1-CB 3.69Å; L54-C248 HydrophobicContact CD1-CB 4.41Å; L54-W648 CarbonylContact O-C 3.56Å; L54-W648 VanDerWaalsContact O-CA 3.28Å; L54-W648 WeakPolarHBondContact O-CA 3.46Å; L54-W648 VanDerWaalsContact O-CE3 3.28Å; L54-T649 WeakPolarHBondContact CB-OG1 3.45Å; L54-T649 PolarHBondContact N-O 3.11Å; L54-T649 PolarHBondContact O-N 3.36Å
55	N	95.1	Very high	96.5	Very high	31 Å²	31	34 Å²	34	17%	0.166	18%	0.182	C	C	.	.			trans	-122.2	-172.5	166.8	72.2	26.9	0	0	0	110.3	T57 H58 T227 W648	N55-T57 PolarHBondContact O-N 3.19Å; N55-T57 VanDerWaalsContact O-N 3.1Å; N55-T57 PolarHBondContact OD1-N 3.39Å; N55-T57 PolarHBondContact OD1-OG1 3.26Å; N55-H58 PolarHBondContact N-O 2.66Å; N55-H58 PolarHBondContact OD1-N 3.39Å; N55-H58 PolarHBondContact OD1-O 3.07Å; N55-T227 WeakPolarHBondContact O-CB 3.45Å; N55-T227 PolarHBondContact O-N 3.43Å; N55-T227 PolarHBondContact O-OG1 3.16Å; N55-W648 HydrophobicContact CB-CD2 4.2Å; N55-W648 HydrophobicContact CB-CE3 4.1Å; N55-W648 HydrophobicContact CB-CH2 4.06Å; N55-W648 HydrophobicContact CB-CZ2 4.16Å; N55-W648 HydrophobicContact CB-CZ3 4.02Å
56	A	95.9	Very high	96.5	Very high	13 Å²	13	34.1 Å²	34.1	11%	0.107	18%	0.182	C	C	.	.	S	Bend	trans	-54.9	-27.9	-178.4	0	0	0	0	0	114.8	T647	A56-T647 HydrophobicContact CB-CG2 4.28Å; A56-T647 VanDerWaalsContact CB-OG1 3.3Å; A56-T647 WeakPolarHBondContact CB-OG1 3.48Å; A56-T647 PolarHBondContact N-OG1 2.94Å
57	T	94.5	Very high	96.4	Very high	90 Å²	90	32.4 Å²	32.4	55%	0.552	19%	0.185	S	C	*	.	S	Bend	trans	-123.6	-36.3	-168.4	50.3	0	0	0	0	114	N55	N55-T57 PolarHBondContact O-N 3.19Å; N55-T57 VanDerWaalsContact O-N 3.1Å; N55-T57 PolarHBondContact OD1-N 3.39Å; N55-T57 PolarHBondContact OD1-OG1 3.26Å
58	H	94.4	Very high	96.4	Very high	126 Å²	126	31.4 Å²	31.4	58%	0.583	18%	0.18	S	C	*	.			trans	-130.1	170.1	-171.5	-60.2	85.2	0	0	0	111.6	N55 I225	N55-H58 PolarHBondContact N-O 2.66Å; N55-H58 PolarHBondContact OD1-N 3.39Å; N55-H58 PolarHBondContact OD1-O 3.07Å; H58-I225 CarbonylContact C-O 3.55Å
59	Q	96.4	Very high	96.4	Very high	33 Å²	33	32.4 Å²	32.4	15%	0.154	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.6	167.3	70.5	-178.1	24.2	0	0	109.2	L53 L54 D175 I225	L53-Q59 WeakPolarHBondContact O-CA 3.48Å; L54-Q59 HydrophobicContact CD2-CB 3.37Å; Q59-D175 HydrophobicContact CG-CB 4.42Å; Q59-D175 WeakPolarHBondContact CG-OD2 3.44Å; Q59-D175 PolarHBondContact NE2-OD2 2.69Å; Q59-I225 PolarHBondContact N-O 2.67Å
60	I	97.7	Very high	96.4	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	167.5	176.4	68	172.2	0	0	0	109.4	R52 L53 A172 Y173 W648	R52-I60 VanDerWaalsContact CA-O 3.32Å; R52-I60 WeakPolarHBondContact CA-O 3.49Å; L53-I60 HydrophobicContact CB-CD1 4.06Å; L53-I60 HydrophobicContact CB-CG1 3.75Å; L53-I60 PolarHBondContact N-O 3.44Å; L53-I60 PolarHBondContact O-N 2.9Å; I60-A172 WeakPolarHBondContact CD1-O 3.48Å; I60-Y173 HydrophobicContact CD1-CD1 4.21Å; I60-Y173 WeakPolarHBondContact CG2-O 3.32Å; I60-W648 HydrophobicContact CD1-CE3 4.48Å; I60-W648 HydrophobicContact CD1-CH2 3.51Å; I60-W648 HydrophobicContact CD1-CZ3 3.4Å; I60-W648 HydrophobicContact CG1-CH2 4.22Å; I60-W648 HydrophobicContact CG1-CZ3 3.81Å; I60-W648 HydrophobicContact CG2-CH2 4.43Å
61	G	97.1	Very high	96.4	Very high	6 Å²	6	34.6 Å²	34.6	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.3	-150.4	177.6	0	0	0	0	0	112.2	C50 V51 E174 F176	C50-G61 VanDerWaalsContact SG-C 3.59Å; V51-G61 WeakPolarHBondContact O-CA 3.42Å; G61-E174 PolarHBondContact N-O 2.77Å; G61-F176 PolarHBondContact O-N 3.07Å
62	C	97.1	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.6	-167.7	-48.6	0	0	0	0	111.8	C50 F176 M221	C50-C62 HydrophobicContact CB-CB 3.6Å; C50-C62 WeakPolarHBondContact CB-SG 3.3Å; C50-C62 WeakPolarHBondContact SG-CB 3.36Å; C50-C62 PolarHBondContact SG-N 2.87Å; C50-C62 CovalentContact SG-SG 2.03Å; C50-C62 PolarHBondContact SG-SG 3.14Å; C62-F176 HydrophobicContact CB-CB 4.39Å; C62-M221 WeakPolarHBondContact O-CG 3.36Å
63	Q	96.3	Very high	96.3	Very high	46 Å²	46	34.8 Å²	34.8	22%	0.215	20%	0.2	C	C	.	.			trans	-145.5	144.2	173.6	175.3	178.9	25.2	0	0	110.2	R52 F176 F178 M221	R52-Q63 VanDerWaalsContact NH2-CB 3.29Å; Q63-F176 PolarHBondContact N-O 3.41Å; Q63-F178 CarbonylContact O-C 3.57Å; Q63-F178 WeakPolarHBondContact O-CA 3.41Å; Q63-M221 HydrophobicContact CB-CB 4.39Å; Q63-M221 HydrophobicContact CB-CG 4.31Å; Q63-M221 HydrophobicContact CG-CB 4.2Å; Q63-M221 HydrophobicContact CG-CG 4.49Å; Q63-M221 PolarHBondContact NE2-O 3.15Å; Q63-M221 VanDerWaalsContact NE2-O 3.1Å
64	S	97.1	Very high	96.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.021	20%	0.2	C	C	.	.			trans	-100.7	163.3	162.8	83.2	0	0	0	0	112.8	D69 S219 H220	S64-D69 WeakPolarHBondContact CA-OD2 3.21Å; S64-D69 WeakPolarHBondContact CB-OD2 3.46Å; S64-S219 PolarHBondContact N-O 2.63Å; S64-S219 PolarHBondContact OG-N 3.37Å; S64-H220 PolarHBondContact O-CD2 3.4Å; S64-H220 PolarHBondContact OG-N 2.93Å; S64-H220 VanDerWaalsContact OG-N 3.11Å
65	S	96.1	Very high	96.2	Very high	61 Å²	61	35.2 Å²	35.2	43%	0.427	20%	0.203	S	C	.	.			trans	-57.2	155.6	162.9	-57.6	0	0	0	0	111.8	S67 G68 D69	S65-S67 VanDerWaalsContact C-N 3.29Å; S65-S67 PolarHBondContact O-N 2.67Å; S65-G68 PolarHBondContact O-N 3.34Å; S65-D69 WeakPolarHBondContact CB-OD1 3.29Å; S65-D69 PolarHBondContact N-OD1 3.47Å; S65-D69 PolarHBondContact N-OD2 3.09Å; S65-D69 PolarHBondContact OG-OD1 2.68Å
66	I	93.9	Very high	96.2	Very high	125 Å²	125	33.8 Å²	33.8	64%	0.641	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-38.7	-175	-174	64.2	0	0	0	113.7	G68 H220	I66-G68 VanDerWaalsContact C-N 3.31Å; I66-H220 VanDerWaalsContact CA-CD2 3.43Å; I66-H220 WeakPolarHBondContact CA-CD2 3.36Å; I66-H220 HydrophobicContact CD1-CB 4.28Å; I66-H220 VanDerWaalsContact CD1-ND1 3.34Å; I66-H220 WeakPolarHBondContact CD1-ND1 3.38Å; I66-H220 PolarHBondContact N-CD2 2.79Å
67	S	93.3	Very high	95.9	Very high	83 Å²	83	38 Å²	38	58%	0.58	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	17	179.6	56.6	0	0	0	0	113.3	S65 Q216 F218	S65-S67 VanDerWaalsContact C-N 3.29Å; S65-S67 PolarHBondContact O-N 2.67Å; S67-Q216 PolarHBondContact O-NE2 3.41Å; S67-F218 VanDerWaalsContact C-CE1 3.49Å; S67-F218 WeakPolarHBondContact O-CE1 3.16Å
68	G	94.6	Very high	95.6	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	21%	0.212	C	C	.	.			trans	76.9	152.5	-173.4	0	0	0	0	0	112.7	S65 I66 L217	S65-G68 PolarHBondContact O-N 3.34Å; I66-G68 VanDerWaalsContact C-N 3.31Å; G68-L217 CarbonylContact C-O 3.51Å; G68-L217 VanDerWaalsContact CA-O 3.24Å; G68-L217 WeakPolarHBondContact CA-O 3.35Å
69	D	97.5	Very high	95.2	Very high	25 Å²	25	39.3 Å²	39.3	13%	0.134	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.3	174.9	-66	-43.4	0	0	0	109.5	S64 S65 M95 A119 P179 Q216 L217	S64-D69 WeakPolarHBondContact CA-OD2 3.21Å; S64-D69 WeakPolarHBondContact CB-OD2 3.46Å; S65-D69 WeakPolarHBondContact CB-OD1 3.29Å; S65-D69 PolarHBondContact N-OD1 3.47Å; S65-D69 PolarHBondContact N-OD2 3.09Å; S65-D69 PolarHBondContact OG-OD1 2.68Å; D69-M95 VanDerWaalsContact O-CE 3.23Å; D69-M95 WeakPolarHBondContact O-CE 3.47Å; D69-A119 HydrophobicContact CB-CB 4.16Å; D69-A119 WeakPolarHBondContact CB-O 3.36Å; D69-P179 HydrophobicContact CB-CG 4.23Å; D69-P179 VanDerWaalsContact OD2-CD 3.32Å; D69-P179 WeakPolarHBondContact OD2-CD 3.43Å; D69-Q216 VanDerWaalsContact O-CA 3.26Å; D69-Q216 WeakPolarHBondContact O-CA 3.45Å; D69-L217 PolarHBondContact N-O 2.94Å; D69-L217 PolarHBondContact O-N 3.21Å
70	T	97.8	Very high	94.8	Very high	49 Å²	49	43.9 Å²	43.9	30%	0.301	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.2	-179.1	-58.2	0	0	0	0	109.3	P93 A214 M215 Q216 F661	T70-P93 WeakPolarHBondContact O-CG 3.44Å; T70-A214 HydrophobicContact CG2-CB 4.34Å; T70-M215 WeakPolarHBondContact CA-O 3.37Å; T70-Q216 HydrophobicContact CG2-CB 4.45Å; T70-Q216 WeakPolarHBondContact OG1-CB 3.39Å; T70-Q216 VanDerWaalsContact OG1-CD 3.24Å; T70-Q216 WeakPolarHBondContact OG1-CG 3.41Å; T70-Q216 PolarHBondContact OG1-NE2 3.1Å; T70-F661 HydrophobicContact CG2-CE1 4.4Å; T70-F661 HydrophobicContact CG2-CZ 3.71Å
71	G	96.9	Very high	94.5	Very high	3 Å²	3	45 Å²	45	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.2	174.2	0	0	0	0	0	112.7	I73 P93 A214 M215	G71-I73 PolarHBondContact O-N 3.1Å; G71-P93 WeakPolarHBondContact CA-O 3.49Å; G71-A214 VanDerWaalsContact O-CA 3.31Å; G71-A214 WeakPolarHBondContact O-CA 3.41Å; G71-A214 WeakPolarHBondContact O-CB 3.19Å; G71-M215 PolarHBondContact N-O 2.97Å; G71-M215 PolarHBondContact O-N 3.23Å
72	V	97.4	Very high	94.1	Very high	12 Å²	12	44.8 Å²	44.8	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.9	175.1	-180	0	0	0	0	109	H74 N91 P93 Y94 M95 L212 I663	V72-H74 PolarHBondContact O-N 2.96Å; V72-N91 HydrophobicContact CG2-CB 4.42Å; V72-P93 PolarHBondContact N-O 3.17Å; V72-Y94 HydrophobicContact CB-CD1 4.09Å; V72-Y94 HydrophobicContact CB-CE1 4.26Å; V72-Y94 HydrophobicContact CG1-CE1 4.43Å; V72-Y94 CarbonylContact O-C 3.54Å; V72-Y94 WeakPolarHBondContact O-CA 3.13Å; V72-M95 PolarHBondContact O-N 2.73Å; V72-L212 HydrophobicContact CG1-CB 4.24Å; V72-L212 HydrophobicContact CG1-CD1 4.15Å; V72-L212 HydrophobicContact CG2-CD1 4.16Å; V72-I663 HydrophobicContact CG2-CD1 3.64Å
73	I	97.8	Very high	93.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.9	-176.7	-56.9	179.6	0	0	0	109.6	G71 M95 I192 Y196 N200 C213 M215 I660	G71-I73 PolarHBondContact O-N 3.1Å; I73-M95 CarbonylContact C-O 3.59Å; I73-M95 WeakPolarHBondContact CA-O 3.49Å; I73-I192 HydrophobicContact CD1-CG2 3.94Å; I73-I192 HydrophobicContact CG2-CG2 3.97Å; I73-Y196 HydrophobicContact CG2-CD2 4.49Å; I73-Y196 VanDerWaalsContact O-CD2 3.28Å; I73-Y196 WeakPolarHBondContact O-CD2 3.39Å; I73-N200 PolarHBondContact O-ND2 3.26Å; I73-C213 PolarHBondContact N-O 2.88Å; I73-M215 HydrophobicContact CD1-CB 3.78Å; I73-M215 HydrophobicContact CG1-CB 3.69Å; I73-I660 HydrophobicContact CD1-CB 4.39Å; I73-I660 HydrophobicContact CD1-CG2 3.85Å
74	H	96.8	Very high	93.6	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.6	168.2	-167.8	79.1	0	0	0	110	V72 D81 W84 V85 Y94 M95 V96 L97 Y196	V72-H74 PolarHBondContact O-N 2.96Å; H74-D81 PolarHBondContact NE2-O 2.99Å; H74-W84 AromaticContact CE1-CD1 3.33Å; H74-W84 AromaticContact CE1-NE1 3.95Å; H74-W84 AromaticContact ND1-CD1 3.82Å; H74-W84 AromaticContact NE2-CD1 3.74Å; H74-V85 HydrophobicContact CB-CG2 3.79Å; H74-V85 WeakPolarHBondContact CD2-CG2 3.36Å; H74-Y94 HydrophobicContact CB-CD1 4.37Å; H74-M95 PolarHBondContact N-O 2.98Å; H74-V96 WeakPolarHBondContact O-CA 3.31Å; H74-L97 PolarHBondContact O-N 2.73Å; H74-Y196 PolarHBondContact CE1-OH 2.93Å; H74-Y196 VanDerWaalsContact CE1-OH 3.31Å; H74-Y196 AromaticContact ND1-CE2 3.83Å; H74-Y196 PolarHBondContact ND1-OH 3.07Å
75	V	96.3	Very high	93.4	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.8	178.9	-176.8	0	0	0	0	108.5	E77 L97 K193 Y196	V75-E77 HydrophobicContact CG1-CG 4.17Å; V75-L97 HydrophobicContact CG1-CD2 4.42Å; V75-L97 HydrophobicContact CG2-CB 4.26Å; V75-L97 HydrophobicContact CG2-CD2 4.02Å; V75-K193 HydrophobicContact CG2-CG 4.41Å; V75-Y196 HydrophobicContact CB-CD1 3.96Å; V75-Y196 HydrophobicContact CB-CE1 4.02Å; V75-Y196 HydrophobicContact CB-CG 4.33Å; V75-Y196 HydrophobicContact CG2-CD1 3.56Å; V75-Y196 HydrophobicContact CG2-CD2 4.15Å; V75-Y196 HydrophobicContact CG2-CE1 4.14Å; V75-Y196 HydrophobicContact CG2-CG 3.57Å
76	V	94.4	Very high	93.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115	-179.4	169.2	0	0	0	0	108.7	D81 L82 V96 L97 L98 L102	V76-D81 HydrophobicContact CB-CB 4.19Å; V76-D81 HydrophobicContact CG1-CB 4.17Å; V76-D81 HydrophobicContact CG2-CB 3.99Å; V76-L82 HydrophobicContact CG1-CB 4.37Å; V76-V96 HydrophobicContact CB-CG1 4.07Å; V76-V96 HydrophobicContact CG2-CG1 3.54Å; V76-L97 PolarHBondContact N-O 3.08Å; V76-L98 HydrophobicContact CB-CD2 3.84Å; V76-L98 HydrophobicContact CG1-CD2 3.85Å; V76-L102 HydrophobicContact CG1-CD1 4.44Å; V76-L102 WeakPolarHBondContact O-CD1 3.38Å
77	E	89.8	Confident	93	Very high	102 Å²	102	46.2 Å²	46.2	48%	0.477	23%	0.229	S	C	.	.	S	Bend	trans	-110.8	-23.9	177.6	-60.6	-175	158.3	0	0	111.2	V75 D81	V75-E77 HydrophobicContact CG1-CG 4.17Å; E77-D81 PolarHBondContact N-OD2 2.86Å
78	R	89.1	Confident	92.8	Very high	140 Å²	140	46.5 Å²	46.5	53%	0.528	22%	0.224	S	C	.	.	S	Bend	trans	-139	163.1	-178.2	-61.9	178.3	-71.9	133.1	7.9	110.9	E80 D81	R78-E80 IonicContact CZ-OE2 2.66Å; R78-E80 IonicContact NH1-OE2 2.87Å; R78-E80 PolarHBondContact NH1-OE2 2.93Å; R78-E80 IonicContact NH2-OE2 3.43Å; R78-E80 PolarHBondContact O-N 3.41Å; R78-D81 PolarHBondContact N-OD2 2.89Å; R78-D81 WeakPolarHBondContact O-CB 3.32Å; R78-D81 PolarHBondContact O-N 3.22Å; R78-D81 VanDerWaalsContact O-N 3.08Å
79	E	85.1	Confident	92.6	Very high	102 Å²	102	46.3 Å²	46.3	48%	0.477	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-28.4	179.7	-170.6	68.3	-168.5	0	0	112.9	D81 L82 Q83 K110	E79-D81 VanDerWaalsContact C-N 3.3Å; E79-D81 PolarHBondContact O-N 2.89Å; E79-L82 WeakPolarHBondContact O-CB 3.14Å; E79-L82 PolarHBondContact O-N 3.33Å; E79-Q83 PolarHBondContact O-N 3.42Å; E79-Q83 VanDerWaalsContact O-N 3.14Å; E79-K110 IonicContact OE1-NZ 2.79Å; E79-K110 PolarHBondContact OE1-NZ 2.92Å
80	E	87.8	Confident	92.3	Very high	129 Å²	129	48 Å²	48	60%	0.603	24%	0.235	S	C	*	.	H	α-helix	trans	-61	-38.8	174.8	-65.3	173.6	174.5	0	0	111.9	R78 L82 Q83 W84	R78-E80 IonicContact CZ-OE2 2.66Å; R78-E80 IonicContact NH1-OE2 2.87Å; R78-E80 PolarHBondContact NH1-OE2 2.93Å; R78-E80 IonicContact NH2-OE2 3.43Å; R78-E80 PolarHBondContact O-N 3.41Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 2.87Å; E80-Q83 PolarHBondContact O-N 2.83Å; E80-W84 PolarHBondContact O-N 2.99Å; E80-W84 VanDerWaalsContact O-N 3.13Å
81	D	91.4	Very high	92.1	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.16	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-32.8	178.9	-49.4	-37.9	0	0	0	110.5	H74 V76 E77 R78 E79 W84 V85	H74-D81 PolarHBondContact NE2-O 2.99Å; V76-D81 HydrophobicContact CB-CB 4.19Å; V76-D81 HydrophobicContact CG1-CB 4.17Å; V76-D81 HydrophobicContact CG2-CB 3.99Å; E77-D81 PolarHBondContact N-OD2 2.86Å; R78-D81 PolarHBondContact N-OD2 2.89Å; R78-D81 WeakPolarHBondContact O-CB 3.32Å; R78-D81 PolarHBondContact O-N 3.22Å; R78-D81 VanDerWaalsContact O-N 3.08Å; E79-D81 VanDerWaalsContact C-N 3.3Å; E79-D81 PolarHBondContact O-N 2.89Å; D81-W84 WeakPolarHBondContact O-CB 3.22Å; D81-W84 PolarHBondContact O-N 2.94Å; D81-V85 PolarHBondContact O-N 2.87Å
82	L	89.7	Confident	91.9	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-43.7	174.1	-176	68.9	0	0	0	111.2	V76 E79 E80 W84 V85 L86 L107 K110 L111	V76-L82 HydrophobicContact CG1-CB 4.37Å; E79-L82 WeakPolarHBondContact O-CB 3.14Å; E79-L82 PolarHBondContact O-N 3.33Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 2.87Å; L82-W84 VanDerWaalsContact C-N 3.29Å; L82-W84 PolarHBondContact O-N 2.76Å; L82-V85 PolarHBondContact O-N 2.98Å; L82-L86 HydrophobicContact CD1-CD1 4.25Å; L82-L86 HydrophobicContact CD1-CG 4.44Å; L82-L86 HydrophobicContact CD2-CD1 4.31Å; L82-L86 HydrophobicContact CG-CD1 3.82Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.09Å; L82-L107 HydrophobicContact CD1-CD1 4.47Å; L82-L107 HydrophobicContact CD1-CG 4.3Å; L82-L107 HydrophobicContact CD2-CD1 3.94Å; L82-L107 HydrophobicContact CD2-CG 3.79Å; L82-K110 HydrophobicContact CD2-CD 4.18Å; L82-L111 HydrophobicContact CD1-CD2 3.53Å; L82-L111 HydrophobicContact CD1-CG 4.14Å
83	Q	90.8	Very high	91.8	Very high	116 Å²	116	52.8 Å²	52.8	54%	0.542	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-43	176.7	-177.6	174.3	-18.6	0	0	111.1	E79 E80 V85 L86 T87	E79-Q83 PolarHBondContact O-N 3.42Å; E79-Q83 VanDerWaalsContact O-N 3.14Å; E80-Q83 PolarHBondContact O-N 2.83Å; Q83-V85 VanDerWaalsContact C-N 3.33Å; Q83-V85 PolarHBondContact O-N 3.4Å; Q83-L86 PolarHBondContact O-N 3.26Å; Q83-L86 VanDerWaalsContact O-N 3.08Å; Q83-T87 PolarHBondContact O-N 3.13Å; Q83-T87 PolarHBondContact O-OG1 3.45Å
84	W	91.8	Very high	91.7	Very high	80 Å²	80	53 Å²	53	30%	0.303	27%	0.265	S	S	.	.	I	π-helix	trans	-55	-46.4	176.7	179.2	-98.5	0	0	0	112.5	H74 E80 D81 L82 L86 D88 G89	H74-W84 AromaticContact CE1-CD1 3.33Å; H74-W84 AromaticContact CE1-NE1 3.95Å; H74-W84 AromaticContact ND1-CD1 3.82Å; H74-W84 AromaticContact NE2-CD1 3.74Å; E80-W84 PolarHBondContact O-N 2.99Å; E80-W84 VanDerWaalsContact O-N 3.13Å; D81-W84 WeakPolarHBondContact O-CB 3.22Å; D81-W84 PolarHBondContact O-N 2.94Å; L82-W84 VanDerWaalsContact C-N 3.29Å; L82-W84 PolarHBondContact O-N 2.76Å; W84-L86 VanDerWaalsContact C-N 3.33Å; W84-L86 PolarHBondContact O-N 3.25Å; W84-D88 HydrophobicContact CD2-CB 4.15Å; W84-D88 HydrophobicContact CE3-CB 3.47Å; W84-D88 VanDerWaalsContact CE3-CB 3.47Å; W84-D88 HydrophobicContact CZ3-CB 3.78Å; W84-D88 PolarHBondContact O-N 2.6Å; W84-D88 VanDerWaalsContact O-N 3.11Å; W84-G89 PolarHBondContact O-N 3.14Å
85	V	92.8	Very high	91.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.262	C	S	.	.	I	π-helix	trans	-64.3	-38.7	177.7	173.6	0	0	0	0	112.1	H74 D81 L82 Q83 Y94 V96 R117 I118	H74-V85 HydrophobicContact CB-CG2 3.79Å; H74-V85 WeakPolarHBondContact CD2-CG2 3.36Å; D81-V85 PolarHBondContact O-N 2.87Å; L82-V85 PolarHBondContact O-N 2.98Å; Q83-V85 VanDerWaalsContact C-N 3.33Å; Q83-V85 PolarHBondContact O-N 3.4Å; V85-Y94 HydrophobicContact CG1-CD2 3.99Å; V85-Y94 HydrophobicContact CG1-CG 4.1Å; V85-V96 HydrophobicContact CG1-CG2 3.86Å; V85-V96 HydrophobicContact CG2-CG2 4.33Å; V85-R117 PolarHBondContact O-NE 3.33Å; V85-I118 HydrophobicContact CG1-CD1 4.48Å; V85-I118 HydrophobicContact CG1-CG1 3.96Å
86	L	91.4	Very high	91.8	Very high	18 Å²	18	52.1 Å²	52.1	9%	0.094	26%	0.26	C	S	.	.	I	π-helix	trans	-80	-31.1	-173.1	-70.4	178.3	0	0	0	114	L82 Q83 W84 K110 L111 R114 R117 I118	L82-L86 HydrophobicContact CD1-CD1 4.25Å; L82-L86 HydrophobicContact CD1-CG 4.44Å; L82-L86 HydrophobicContact CD2-CD1 4.31Å; L82-L86 HydrophobicContact CG-CD1 3.82Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.39Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.09Å; Q83-L86 PolarHBondContact O-N 3.26Å; Q83-L86 VanDerWaalsContact O-N 3.08Å; W84-L86 VanDerWaalsContact C-N 3.33Å; W84-L86 PolarHBondContact O-N 3.25Å; L86-K110 HydrophobicContact CD1-CB 4.42Å; L86-L111 HydrophobicContact CD2-CD2 4.31Å; L86-R114 HydrophobicContact CD2-CB 3.92Å; L86-R114 HydrophobicContact CD2-CG 4.4Å; L86-R114 WeakPolarHBondContact O-CD 3.42Å; L86-R114 PolarHBondContact O-NH1 3.13Å; L86-R117 WeakPolarHBondContact O-CD 3.5Å; L86-I118 HydrophobicContact CD2-CD1 3.8Å
87	T	90.7	Very high	91.9	Very high	52 Å²	52	52.1 Å²	52.1	32%	0.319	26%	0.26	S	S	.	.	I	π-helix	trans	-125	-54.9	-175.8	53.4	0	0	0	0	113.2	Q83 R117	Q83-T87 PolarHBondContact O-N 3.13Å; Q83-T87 PolarHBondContact O-OG1 3.45Å; T87-R117 PolarHBondContact O-NH1 3.03Å; T87-R117 VanDerWaalsContact O-NH1 3.14Å
88	D	89.4	Confident	92.2	Very high	88 Å²	88	47.3 Å²	47.3	47%	0.471	24%	0.238	S	C	.	.	I	π-helix	trans	-93.5	-26.3	-154.8	-54.3	-27.3	0	0	0	113.7	W84	W84-D88 HydrophobicContact CD2-CB 4.15Å; W84-D88 HydrophobicContact CE3-CB 3.47Å; W84-D88 VanDerWaalsContact CE3-CB 3.47Å; W84-D88 HydrophobicContact CZ3-CB 3.78Å; W84-D88 PolarHBondContact O-N 2.6Å; W84-D88 VanDerWaalsContact O-N 3.11Å
89	G	90	Very high	92.3	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	22%	0.221	C	C	.	.			trans	-60.4	135.2	-172.6	0	0	0	0	0	113	W84 N91 Y94 R117	W84-G89 PolarHBondContact O-N 3.14Å; G89-N91 PolarHBondContact O-N 3.18Å; G89-Y94 WeakPolarHBondContact CA-OH 3.37Å; G89-R117 PolarHBondContact O-NH1 2.91Å; G89-R117 PolarHBondContact O-NH2 2.89Å
90	P	92.4	Very high	92.3	Very high	62 Å²	62	37.7 Å²	37.7	40%	0.403	20%	0.199	S	C	.	.	S	Bend	trans	-78.7	-16.6	-174.3	28.8	-35	0	0	0	114.7	P92 Y94 A207	P90-P92 VanDerWaalsContact O-CD 3.26Å; P90-P92 WeakPolarHBondContact O-CD 3.42Å; P90-Y94 WeakPolarHBondContact CD-OH 3.38Å; P90-Y94 VanDerWaalsContact N-OH 3.12Å; P90-A207 HydrophobicContact CG-CB 4.08Å
91	N	92	Very high	92.3	Very high	36 Å²	36	36.8 Å²	36.8	19%	0.193	19%	0.193	C	C	.	.	S	Bend	trans	-121.4	59.2	-166.2	-60.6	-47.2	0	0	0	113.6	V72 G89 Y94 L212	V72-N91 HydrophobicContact CG2-CB 4.42Å; G89-N91 PolarHBondContact O-N 3.18Å; N91-Y94 HydrophobicContact CB-CE1 4.48Å; N91-Y94 PolarHBondContact N-OH 3.13Å; N91-L212 HydrophobicContact CB-CD1 4.39Å; N91-L212 WeakPolarHBondContact ND2-CD1 3.48Å
92	P	92.6	Very high	92.3	Very high	66 Å²	66	37.4 Å²	37.4	43%	0.429	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-66.2	147.6	168.1	24.3	-23.2	0	0	0	111.2	P90	P90-P92 VanDerWaalsContact O-CD 3.26Å; P90-P92 WeakPolarHBondContact O-CD 3.42Å
93	P	95.4	Very high	92.5	Very high	61 Å²	61	37.4 Å²	37.4	40%	0.396	20%	0.196	S	C	.	.	S	Bend	cis	-83.8	145.5	3.4	33.7	-35.9	0	0	0	114	T70 G71 V72 R117 A119	T70-P93 WeakPolarHBondContact O-CG 3.44Å; G71-P93 WeakPolarHBondContact CA-O 3.49Å; V72-P93 PolarHBondContact N-O 3.17Å; P93-R117 WeakPolarHBondContact CA-O 3.45Å; P93-A119 HydrophobicContact CB-CB 3.86Å; P93-A119 HydrophobicContact CG-CB 4.3Å
94	Y	96.9	Very high	92.6	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	154.1	176.5	-73.2	-66.9	0	0	0	112.5	V72 H74 V85 G89 P90 N91 R117 I118 A119	V72-Y94 HydrophobicContact CB-CD1 4.09Å; V72-Y94 HydrophobicContact CB-CE1 4.26Å; V72-Y94 HydrophobicContact CG1-CE1 4.43Å; V72-Y94 CarbonylContact O-C 3.54Å; V72-Y94 WeakPolarHBondContact O-CA 3.13Å; H74-Y94 HydrophobicContact CB-CD1 4.37Å; V85-Y94 HydrophobicContact CG1-CD2 3.99Å; V85-Y94 HydrophobicContact CG1-CG 4.1Å; G89-Y94 WeakPolarHBondContact CA-OH 3.37Å; P90-Y94 WeakPolarHBondContact CD-OH 3.38Å; P90-Y94 VanDerWaalsContact N-OH 3.12Å; N91-Y94 HydrophobicContact CB-CE1 4.48Å; N91-Y94 PolarHBondContact N-OH 3.13Å; Y94-R117 PolarHBondContact N-O 3.09Å; Y94-I118 CarbonylContact O-C 3.59Å; Y94-I118 WeakPolarHBondContact O-CA 3.13Å; Y94-A119 PolarHBondContact O-N 3.07Å
95	M	97.5	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.8	170.4	-164.3	159.9	-75.2	0	0	109.4	D69 V72 I73 H74 A119 G120 M215 L217	D69-M95 VanDerWaalsContact O-CE 3.23Å; D69-M95 WeakPolarHBondContact O-CE 3.47Å; V72-M95 PolarHBondContact O-N 2.73Å; I73-M95 CarbonylContact C-O 3.59Å; I73-M95 WeakPolarHBondContact CA-O 3.49Å; H74-M95 PolarHBondContact N-O 2.98Å; M95-A119 HydrophobicContact CE-CB 4.05Å; M95-G120 WeakPolarHBondContact CA-O 2.93Å; M95-G120 WeakPolarHBondContact CG-O 3.2Å; M95-M215 HydrophobicContact CB-CE 4.45Å; M95-M215 HydrophobicContact CG-CB 4.31Å; M95-M215 HydrophobicContact CG-CE 3.44Å; M95-M215 VanDerWaalsContact CG-CE 3.44Å; M95-M215 HydrophobicContact SD-CB 3.48Å; M95-M215 WeakPolarHBondContact SD-CB 3.49Å; M95-M215 HydrophobicContact SD-CE 3.41Å; M95-M215 WeakPolarHBondContact SD-CE 3.36Å; M95-M215 HydrophobicContact SD-CG 3.5Å; M95-M215 WeakPolarHBondContact SD-CG 3.49Å; M95-M215 VanDerWaalsContact SD-O 3.37Å; M95-M215 HydrophobicContact SD-SD 4.25Å; M95-L217 HydrophobicContact CE-CB 4.48Å; M95-L217 HydrophobicContact CE-CD1 4.06Å; M95-L217 HydrophobicContact CE-CG 3.98Å; M95-L217 HydrophobicContact SD-CD1 3.68Å; M95-L217 HydrophobicContact SD-CD2 4.43Å; M95-L217 HydrophobicContact SD-CG 3.6Å; M95-L217 VanDerWaalsContact SD-CG 3.6Å
96	V	96.7	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135	-169.1	-178.3	0	0	0	0	110.5	H74 V76 V85 L98 G120 L121 A122	H74-V96 WeakPolarHBondContact O-CA 3.31Å; V76-V96 HydrophobicContact CB-CG1 4.07Å; V76-V96 HydrophobicContact CG2-CG1 3.54Å; V85-V96 HydrophobicContact CG1-CG2 3.86Å; V85-V96 HydrophobicContact CG2-CG2 4.33Å; V96-L98 HydrophobicContact CG1-CD2 3.66Å; V96-L98 HydrophobicContact CG1-CG 3.89Å; V96-G120 PolarHBondContact N-O 2.88Å; V96-G120 VanDerWaalsContact N-O 3.13Å; V96-L121 HydrophobicContact CB-CB 4.04Å; V96-L121 CarbonylContact O-C 3.58Å; V96-L121 WeakPolarHBondContact O-CA 3.49Å; V96-L121 VanDerWaalsContact O-CB 3.3Å; V96-L121 WeakPolarHBondContact O-CB 3.27Å; V96-A122 PolarHBondContact O-N 3.31Å
97	L	97.3	Very high	92.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112.5	165.5	-176.5	72	0	0	0	108.8	H74 V75 V76 A122 L183 T189 I192 K193	H74-L97 PolarHBondContact O-N 2.73Å; V75-L97 HydrophobicContact CG1-CD2 4.42Å; V75-L97 HydrophobicContact CG2-CB 4.26Å; V75-L97 HydrophobicContact CG2-CD2 4.02Å; V76-L97 PolarHBondContact N-O 3.08Å; L97-A122 CarbonylContact C-O 3.58Å; L97-A122 WeakPolarHBondContact CA-O 3.49Å; L97-A122 HydrophobicContact CD1-CB 3.78Å; L97-L183 HydrophobicContact CD1-CD1 3.63Å; L97-T189 HydrophobicContact CD2-CG2 4.38Å; L97-I192 HydrophobicContact CD2-CG2 3.95Å; L97-K193 HydrophobicContact CD2-CG 3.91Å
98	L	94.8	Very high	93	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	140.4	175.9	-63.8	179.6	0	0	0	110.3	V76 V96 F103 L107 L121 A122 V123 S124	V76-L98 HydrophobicContact CB-CD2 3.84Å; V76-L98 HydrophobicContact CG1-CD2 3.85Å; V96-L98 HydrophobicContact CG1-CD2 3.66Å; V96-L98 HydrophobicContact CG1-CG 3.89Å; L98-F103 HydrophobicContact CD1-CD2 4.3Å; L98-L107 HydrophobicContact CD1-CD2 3.57Å; L98-L107 HydrophobicContact CD2-CD1 4.27Å; L98-L107 HydrophobicContact CD2-CD2 4.18Å; L98-L121 HydrophobicContact CD1-CD1 3.95Å; L98-L121 HydrophobicContact CG-CD1 4.38Å; L98-A122 PolarHBondContact N-O 3.03Å; L98-V123 CarbonylContact O-C 3.57Å; L98-V123 VanDerWaalsContact O-CA 3.31Å; L98-V123 WeakPolarHBondContact O-CA 3.37Å; L98-S124 PolarHBondContact O-N 3.35Å; L98-S124 PolarHBondContact O-OG 3.05Å
99	E	91	Very high	93.2	Very high	36 Å²	36	38.1 Å²	38.1	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.7	156	-61.5	-165.2	167.9	0	0	109.2	K101 L102 K193	E99-K101 HydrophobicContact CB-CG 4.15Å; E99-K101 PolarHBondContact O-N 3.05Å; E99-K101 WeakPolarHBondContact OE2-CE 3.39Å; E99-K101 IonicContact OE2-NZ 2.69Å; E99-K101 PolarHBondContact OE2-NZ 3.17Å; E99-L102 WeakPolarHBondContact O-CA 3Å; E99-L102 WeakPolarHBondContact O-CB 3.38Å; E99-L102 PolarHBondContact O-N 3.41Å; E99-K193 IonicContact OE1-NZ 2.71Å; E99-K193 PolarHBondContact OE1-NZ 3.17Å
100	S	86.1	Confident	93.3	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.028	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-57.4	-26.9	-175.4	-174	0	0	0	0	114.2	L102 F103 V123 S124 T126 Y457	S100-L102 PolarHBondContact O-N 3.29Å; S100-F103 VanDerWaalsContact O-CB 3.31Å; S100-F103 WeakPolarHBondContact O-CB 3.38Å; S100-F103 PolarHBondContact O-N 3.42Å; S100-V123 VanDerWaalsContact CA-CG1 3.47Å; S100-S124 VanDerWaalsContact CB-O 3.28Å; S100-S124 WeakPolarHBondContact CB-O 3.46Å; S100-S124 PolarHBondContact N-O 2.96Å; S100-T126 PolarHBondContact N-OG1 3.15Å; S100-Y457 WeakPolarHBondContact CB-OH 3.47Å; S100-Y457 PolarHBondContact OG-OH 3.3Å
101	K	87.8	Confident	93.3	Very high	111 Å²	111	39.8 Å²	39.8	48%	0.483	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-60.2	-25.5	170.8	72.6	-169	-172.7	-155.9	0	114.4	E99 T126	E99-K101 HydrophobicContact CB-CG 4.15Å; E99-K101 PolarHBondContact O-N 3.05Å; E99-K101 WeakPolarHBondContact OE2-CE 3.39Å; E99-K101 IonicContact OE2-NZ 2.69Å; E99-K101 PolarHBondContact OE2-NZ 3.17Å; K101-T126 HydrophobicContact CD-CG2 4.47Å; K101-T126 PolarHBondContact N-OG1 2.79Å
102	L	91.2	Very high	93.3	Very high	42 Å²	42	41.9 Å²	41.9	22%	0.22	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-93.1	-8	177.4	-60.3	176.8	0	0	0	112.2	V76 E99 S100 T104	V76-L102 HydrophobicContact CG1-CD1 4.44Å; V76-L102 WeakPolarHBondContact O-CD1 3.38Å; E99-L102 WeakPolarHBondContact O-CA 3Å; E99-L102 WeakPolarHBondContact O-CB 3.38Å; E99-L102 PolarHBondContact O-N 3.41Å; S100-L102 PolarHBondContact O-N 3.29Å; L102-T104 PolarHBondContact O-N 2.91Å; L102-T104 PolarHBondContact O-OG1 3.27Å
103	F	93.6	Very high	93.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	22%	0.221	C	C	.	.			trans	-74.3	77.9	177.2	-174.1	-117.6	0	0	0	110.4	L98 S100 M108 V123 F134 L171 I180 F287	L98-F103 HydrophobicContact CD1-CD2 4.3Å; S100-F103 VanDerWaalsContact O-CB 3.31Å; S100-F103 WeakPolarHBondContact O-CB 3.38Å; S100-F103 PolarHBondContact O-N 3.42Å; F103-M108 HydrophobicContact CD2-CG 4.06Å; F103-M108 HydrophobicContact CD2-SD 3.8Å; F103-M108 HydrophobicContact CE2-CE 4.21Å; F103-M108 HydrophobicContact CE2-CG 3.83Å; F103-M108 HydrophobicContact CE2-SD 3.51Å; F103-M108 VanDerWaalsContact CE2-SD 3.51Å; F103-V123 HydrophobicContact CB-CG1 4.2Å; F103-V123 HydrophobicContact CD2-CG2 3.83Å; F103-V123 HydrophobicContact CE2-CG2 4.17Å; F103-V123 HydrophobicContact CG-CG1 4.45Å; F103-V123 HydrophobicContact CG-CG2 4.15Å; F103-F134 HydrophobicContact CD1-CE1 4.16Å; F103-F134 HydrophobicContact CD1-CE2 4.19Å; F103-F134 AromaticContact CD1-CZ 3.54Å; F103-F134 HydrophobicContact CD1-CZ 3.54Å; F103-F134 HydrophobicContact CE1-CE1 4.37Å; F103-F134 AromaticContact CE1-CZ 3.77Å; F103-F134 HydrophobicContact CE1-CZ 3.77Å; F103-F134 WeakPolarHBondContact O-CE2 3.41Å; F103-L171 HydrophobicContact CD1-CD2 4.14Å; F103-L171 HydrophobicContact CE1-CD2 3.48Å; F103-L171 VanDerWaalsContact CE1-CD2 3.48Å; F103-L171 HydrophobicContact CE2-CD2 4.03Å; F103-L171 HydrophobicContact CZ-CD2 3.41Å; F103-L171 VanDerWaalsContact CZ-CD2 3.41Å; F103-L171 HydrophobicContact CZ-CG 4.42Å; F103-I180 HydrophobicContact CE2-CG2 4.4Å; F103-F287 HydrophobicContact CE1-CD1 4.17Å; F103-F287 HydrophobicContact CE1-CD2 4.39Å; F103-F287 HydrophobicContact CE1-CE1 4.47Å; F103-F287 HydrophobicContact CE1-CG 4.13Å; F103-F287 AromaticContact CZ-CD1 3.88Å; F103-F287 HydrophobicContact CZ-CD1 3.88Å; F103-F287 HydrophobicContact CZ-CD2 4.2Å; F103-F287 AromaticContact CZ-CE1 3.73Å; F103-F287 HydrophobicContact CZ-CE1 3.73Å; F103-F287 HydrophobicContact CZ-CE2 4.08Å; F103-F287 HydrophobicContact CZ-CG 4.12Å; F103-F287 AromaticContact CZ-CZ 3.85Å; F103-F287 HydrophobicContact CZ-CZ 3.85Å
104	T	93.6	Very high	92.9	Very high	60 Å²	60	44.9 Å²	44.9	37%	0.368	22%	0.224	S	C	.	.			trans	-115.4	159.2	-174.8	59.4	0	0	0	0	111.3	L102 D106 L107 M108	L102-T104 PolarHBondContact O-N 2.91Å; L102-T104 PolarHBondContact O-OG1 3.27Å; T104-D106 PolarHBondContact O-N 3.34Å; T104-L107 PolarHBondContact O-N 3.17Å; T104-L107 WeakPolarHBondContact OG1-CB 2.95Å; T104-M108 WeakPolarHBondContact O-CB 3.41Å; T104-M108 VanDerWaalsContact O-CG 3.29Å; T104-M108 WeakPolarHBondContact O-CG 2.84Å; T104-M108 PolarHBondContact O-N 2.98Å
105	R	94.1	Very high	92.3	Very high	68 Å²	68	47.1 Å²	47.1	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-56.9	-48.6	178.3	177.4	64.2	-171.8	-151.3	9.5	111.9	L107 M108 E109 N169 E174	R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.42Å; R105-M108 PolarHBondContact O-N 3.2Å; R105-E109 IonicContact NE-OE2 3.59Å; R105-E109 WeakPolarHBondContact O-CB 3.24Å; R105-E109 PolarHBondContact O-N 2.97Å; R105-N169 HydrophobicContact CB-CB 4.2Å; R105-E174 IonicContact CZ-OE1 2.82Å; R105-E174 VanDerWaalsContact CZ-OE1 3.23Å; R105-E174 VanDerWaalsContact NH1-CD 3.29Å; R105-E174 IonicContact NH1-OE1 3.82Å; R105-E174 PolarHBondContact NH1-OE1 3.44Å; R105-E174 VanDerWaalsContact NH2-CD 3.32Å; R105-E174 IonicContact NH2-OE1 3.06Å; R105-E174 PolarHBondContact NH2-OE1 2.86Å; R105-E174 IonicContact NH2-OE2 2.74Å
106	D	92.8	Very high	91.9	Very high	116 Å²	116	52.3 Å²	52.3	62%	0.62	28%	0.275	S	S	*	.	H	α-helix	trans	-61.1	-42.7	-177.3	-61.2	-16	0	0	0	112.1	T104 E109 K110	T104-D106 PolarHBondContact O-N 3.34Å; D106-E109 PolarHBondContact O-N 3.17Å; D106-K110 WeakPolarHBondContact O-CG 3.37Å; D106-K110 PolarHBondContact O-N 3.22Å; D106-K110 VanDerWaalsContact O-N 3.08Å
107	L	93.4	Very high	91.8	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-43.7	177.4	-174.9	148.4	0	0	0	111	L82 L98 T104 R105 E109 K110 L111	L82-L107 HydrophobicContact CD1-CD1 4.47Å; L82-L107 HydrophobicContact CD1-CG 4.3Å; L82-L107 HydrophobicContact CD2-CD1 3.94Å; L82-L107 HydrophobicContact CD2-CG 3.79Å; L98-L107 HydrophobicContact CD1-CD2 3.57Å; L98-L107 HydrophobicContact CD2-CD1 4.27Å; L98-L107 HydrophobicContact CD2-CD2 4.18Å; T104-L107 PolarHBondContact O-N 3.17Å; T104-L107 WeakPolarHBondContact OG1-CB 2.95Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.42Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 3.43Å; L107-K110 WeakPolarHBondContact O-CB 3.45Å; L107-K110 PolarHBondContact O-N 3.25Å; L107-L111 HydrophobicContact CD2-CD1 3.5Å; L107-L111 HydrophobicContact CD2-CG 4.03Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.22Å
108	M	94.7	Very high	91.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-35	178.7	-71.5	-56.3	-55.1	0	0	112.7	F103 T104 R105 L111 K112 L121 L171 F176 F178 I180	F103-M108 HydrophobicContact CD2-CG 4.06Å; F103-M108 HydrophobicContact CD2-SD 3.8Å; F103-M108 HydrophobicContact CE2-CE 4.21Å; F103-M108 HydrophobicContact CE2-CG 3.83Å; F103-M108 HydrophobicContact CE2-SD 3.51Å; F103-M108 VanDerWaalsContact CE2-SD 3.51Å; T104-M108 WeakPolarHBondContact O-CB 3.41Å; T104-M108 VanDerWaalsContact O-CG 3.29Å; T104-M108 WeakPolarHBondContact O-CG 2.84Å; T104-M108 PolarHBondContact O-N 2.98Å; R105-M108 PolarHBondContact O-N 3.2Å; M108-L111 PolarHBondContact O-N 2.8Å; M108-L111 HydrophobicContact SD-CD1 3.84Å; M108-K112 WeakPolarHBondContact O-CB 3.37Å; M108-K112 PolarHBondContact O-N 2.82Å; M108-L121 HydrophobicContact CE-CD2 3.79Å; M108-L121 HydrophobicContact SD-CD2 3.82Å; M108-L171 HydrophobicContact CB-CD1 3.73Å; M108-L171 HydrophobicContact CG-CD1 3.93Å; M108-L171 HydrophobicContact CG-CD2 4.13Å; M108-F176 HydrophobicContact CB-CE1 4.31Å; M108-F176 HydrophobicContact CB-CZ 4.49Å; M108-F176 HydrophobicContact CE-CD1 3.81Å; M108-F176 HydrophobicContact CE-CE1 3.34Å; M108-F176 HydrophobicContact CE-CZ 3.82Å; M108-F178 HydrophobicContact CE-CE2 4.04Å; M108-F178 HydrophobicContact CE-CZ 4.14Å; M108-I180 HydrophobicContact CE-CD1 3.48Å; M108-I180 VanDerWaalsContact CE-CD1 3.48Å
109	E	93.4	Very high	91.8	Very high	116 Å²	116	55.3 Å²	55.3	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-68	-41	174.4	-169.9	166	165.9	0	0	111.9	R105 D106 L107 L111 K112 G113	R105-E109 IonicContact NE-OE2 3.59Å; R105-E109 WeakPolarHBondContact O-CB 3.24Å; R105-E109 PolarHBondContact O-N 2.97Å; D106-E109 PolarHBondContact O-N 3.17Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 PolarHBondContact O-N 3.43Å; E109-L111 PolarHBondContact O-N 2.7Å; E109-K112 PolarHBondContact O-N 3.03Å; E109-G113 PolarHBondContact O-N 3.03Å
110	K	92.7	Very high	92	Very high	99 Å²	99	53.6 Å²	53.6	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-43.7	172	-70.9	174.8	-172.1	173.8	0	112.2	E79 L82 L86 D106 L107 G113	E79-K110 IonicContact OE1-NZ 2.79Å; E79-K110 PolarHBondContact OE1-NZ 2.92Å; L82-K110 HydrophobicContact CD2-CD 4.18Å; L86-K110 HydrophobicContact CD1-CB 4.42Å; D106-K110 WeakPolarHBondContact O-CG 3.37Å; D106-K110 PolarHBondContact O-N 3.22Å; D106-K110 VanDerWaalsContact O-N 3.08Å; L107-K110 WeakPolarHBondContact O-CB 3.45Å; L107-K110 PolarHBondContact O-N 3.25Å; K110-G113 PolarHBondContact O-N 3.07Å
111	L	92.8	Very high	92.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-44.8	175.7	-69.9	174.6	0	0	0	111.1	L82 L86 L107 M108 E109 G113 R114 T115 I118 L121 F178	L82-L111 HydrophobicContact CD1-CD2 3.53Å; L82-L111 HydrophobicContact CD1-CG 4.14Å; L86-L111 HydrophobicContact CD2-CD2 4.31Å; L107-L111 HydrophobicContact CD2-CD1 3.5Å; L107-L111 HydrophobicContact CD2-CG 4.03Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.22Å; M108-L111 PolarHBondContact O-N 2.8Å; M108-L111 HydrophobicContact SD-CD1 3.84Å; E109-L111 PolarHBondContact O-N 2.7Å; L111-G113 VanDerWaalsContact C-N 3.29Å; L111-G113 PolarHBondContact O-N 2.01Å; L111-R114 CarbonylContact O-C 3.58Å; L111-R114 PolarHBondContact O-N 3.43Å; L111-R114 VanDerWaalsContact O-N 3.16Å; L111-T115 PolarHBondContact O-N 2.78Å; L111-I118 HydrophobicContact CB-CD1 4.13Å; L111-I118 HydrophobicContact CD2-CD1 3.3Å; L111-I118 HydrophobicContact CD2-CG1 4.3Å; L111-I118 HydrophobicContact CG-CD1 4.3Å; L111-L121 HydrophobicContact CD1-CD2 3.93Å; L111-F178 HydrophobicContact CB-CZ 4.29Å
112	K	91.4	Very high	93	Very high	81 Å²	81	48.1 Å²	48.1	35%	0.352	26%	0.257	S	S	.	.	H	α-helix	trans	-60.5	-37.9	178	-171.5	169.8	175.1	165.5	0	111.8	M108 E109 R114 T115 E174 D175	M108-K112 WeakPolarHBondContact O-CB 3.37Å; M108-K112 PolarHBondContact O-N 2.82Å; E109-K112 PolarHBondContact O-N 3.03Å; K112-R114 PolarHBondContact O-N 3.27Å; K112-T115 PolarHBondContact O-N 2.9Å; K112-E174 IonicContact NZ-OE2 3.85Å; K112-E174 PolarHBondContact NZ-OE2 3.03Å; K112-D175 WeakPolarHBondContact CE-O 3.13Å; K112-D175 PolarHBondContact NZ-O 2.67Å
113	G	88.8	Confident	93.2	Very high	66 Å²	66	46.1 Å²	46.1	68%	0.68	25%	0.247	S	C	*	.	H	α-helix	trans	-62.1	-21.3	176.9	0	0	0	0	0	115.3	E109 K110 L111	E109-G113 PolarHBondContact O-N 3.03Å; K110-G113 PolarHBondContact O-N 3.07Å; L111-G113 VanDerWaalsContact C-N 3.29Å; L111-G113 PolarHBondContact O-N 2.01Å
114	R	89.6	Confident	93.3	Very high	123 Å²	123	46.2 Å²	46.2	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	43.2	178.5	-62.7	-170	176.4	-139	-1.7	112.8	L86 L111 K112 S116 R117	L86-R114 HydrophobicContact CD2-CB 3.92Å; L86-R114 HydrophobicContact CD2-CG 4.4Å; L86-R114 WeakPolarHBondContact O-CD 3.42Å; L86-R114 PolarHBondContact O-NH1 3.13Å; L111-R114 CarbonylContact O-C 3.58Å; L111-R114 PolarHBondContact O-N 3.43Å; L111-R114 VanDerWaalsContact O-N 3.16Å; K112-R114 PolarHBondContact O-N 3.27Å; R114-S116 PolarHBondContact O-N 2.96Å; R114-R117 PolarHBondContact O-N 3.42Å
115	T	85	Confident	93.2	Very high	55 Å²	55	45.7 Å²	45.7	34%	0.337	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-52.9	-30.6	-174.7	-162.6	0	0	0	0	114.7	L111 K112 R117 I118 S177	L111-T115 PolarHBondContact O-N 2.78Å; K112-T115 PolarHBondContact O-N 2.9Å; T115-R117 PolarHBondContact O-N 2.84Å; T115-R117 VanDerWaalsContact O-N 3.11Å; T115-I118 PolarHBondContact O-N 2.8Å; T115-I118 VanDerWaalsContact O-N 3.17Å; T115-S177 PolarHBondContact OG1-OG 2.88Å
116	S	90.1	Very high	92.5	Very high	109 Å²	109	43.4 Å²	43.4	76%	0.762	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-66.4	-16	-179.6	65.7	0	0	0	0	114.6	R114	R114-S116 PolarHBondContact O-N 2.96Å
117	R	94.2	Very high	92	Very high	45 Å²	45	43.9 Å²	43.9	17%	0.17	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-93	-15.1	178.4	-72.6	-145.3	60.5	141.8	7.5	113.5	V85 L86 T87 G89 P93 Y94 R114 T115	V85-R117 PolarHBondContact O-NE 3.33Å; L86-R117 WeakPolarHBondContact O-CD 3.5Å; T87-R117 PolarHBondContact O-NH1 3.03Å; T87-R117 VanDerWaalsContact O-NH1 3.14Å; G89-R117 PolarHBondContact O-NH1 2.91Å; G89-R117 PolarHBondContact O-NH2 2.89Å; P93-R117 WeakPolarHBondContact CA-O 3.45Å; Y94-R117 PolarHBondContact N-O 3.09Å; R114-R117 PolarHBondContact O-N 3.42Å; T115-R117 PolarHBondContact O-N 2.84Å; T115-R117 VanDerWaalsContact O-N 3.11Å
118	I	94.9	Very high	91.7	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.7	-171.5	-66.1	145.3	0	0	0	109	V85 L86 Y94 L111 T115 G120	V85-I118 HydrophobicContact CG1-CD1 4.48Å; V85-I118 HydrophobicContact CG1-CG1 3.96Å; L86-I118 HydrophobicContact CD2-CD1 3.8Å; Y94-I118 CarbonylContact O-C 3.59Å; Y94-I118 WeakPolarHBondContact O-CA 3.13Å; L111-I118 HydrophobicContact CB-CD1 4.13Å; L111-I118 HydrophobicContact CD2-CD1 3.3Å; L111-I118 HydrophobicContact CD2-CG1 4.3Å; L111-I118 HydrophobicContact CG-CD1 4.3Å; T115-I118 PolarHBondContact O-N 2.8Å; T115-I118 VanDerWaalsContact O-N 3.17Å; I118-G120 WeakPolarHBondContact CG2-O 3.47Å
119	A	95.7	Very high	91.5	Very high	12 Å²	12	50.3 Å²	50.3	10%	0.099	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-6.3	177.6	0	0	0	0	0	113	D69 P93 Y94 M95 P179	D69-A119 HydrophobicContact CB-CB 4.16Å; D69-A119 WeakPolarHBondContact CB-O 3.36Å; P93-A119 HydrophobicContact CB-CB 3.86Å; P93-A119 HydrophobicContact CG-CB 4.3Å; Y94-A119 PolarHBondContact O-N 3.07Å; M95-A119 HydrophobicContact CE-CB 4.05Å; A119-P179 VanDerWaalsContact O-CD 3.3Å; A119-P179 WeakPolarHBondContact O-CD 3.3Å
120	G	96.5	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	177.1	-178.5	0	0	0	0	0	112	M95 V96 I118 P179	M95-G120 WeakPolarHBondContact CA-O 2.93Å; M95-G120 WeakPolarHBondContact CG-O 3.2Å; V96-G120 PolarHBondContact N-O 2.88Å; V96-G120 VanDerWaalsContact N-O 3.13Å; I118-G120 WeakPolarHBondContact CG2-O 3.47Å; G120-P179 CarbonylContact C-O 3.59Å; G120-P179 WeakPolarHBondContact CA-O 3.42Å
121	L	96.6	Very high	91.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.4	172.5	74.2	105.3	0	0	0	112.4	V96 L98 M108 L111 V123 F178 P179 I180 F181	V96-L121 HydrophobicContact CB-CB 4.04Å; V96-L121 CarbonylContact O-C 3.58Å; V96-L121 WeakPolarHBondContact O-CA 3.49Å; V96-L121 VanDerWaalsContact O-CB 3.3Å; V96-L121 WeakPolarHBondContact O-CB 3.27Å; L98-L121 HydrophobicContact CD1-CD1 3.95Å; L98-L121 HydrophobicContact CG-CD1 4.38Å; M108-L121 HydrophobicContact CE-CD2 3.79Å; M108-L121 HydrophobicContact SD-CD2 3.82Å; L111-L121 HydrophobicContact CD1-CD2 3.93Å; L121-V123 HydrophobicContact CD1-CG2 3.39Å; L121-F178 HydrophobicContact CD2-CD2 4.35Å; L121-F178 HydrophobicContact CD2-CE2 3.67Å; L121-P179 PolarHBondContact N-O 3.39Å; L121-I180 HydrophobicContact CD1-CG2 3.65Å; L121-I180 HydrophobicContact CD2-CD1 4.05Å; L121-I180 HydrophobicContact CD2-CG1 3.85Å; L121-I180 HydrophobicContact CD2-CG2 4.38Å; L121-I180 HydrophobicContact CG-CB 4.29Å; L121-I180 HydrophobicContact CG-CG1 3.93Å; L121-I180 HydrophobicContact CG-CG2 3.85Å; L121-I180 VanDerWaalsContact O-CA 3.31Å; L121-I180 WeakPolarHBondContact O-CA 3.07Å; L121-F181 PolarHBondContact O-N 2.84Å
122	A	97.5	Very high	91.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.5	167.9	0	0	0	0	0	109.2	V96 L97 L98 F181 L183 M215	V96-A122 PolarHBondContact O-N 3.31Å; L97-A122 CarbonylContact C-O 3.58Å; L97-A122 WeakPolarHBondContact CA-O 3.49Å; L97-A122 HydrophobicContact CD1-CB 3.78Å; L98-A122 PolarHBondContact N-O 3.03Å; A122-F181 CarbonylContact C-O 2.98Å; A122-F181 VanDerWaalsContact CA-O 3.22Å; A122-F181 WeakPolarHBondContact CA-O 3.23Å; A122-L183 HydrophobicContact CB-CD1 4.13Å; A122-L183 HydrophobicContact CB-CD2 4.4Å; A122-L183 HydrophobicContact CB-CG 4.11Å; A122-M215 HydrophobicContact CB-CE 3.65Å; A122-M215 HydrophobicContact CB-SD 4.44Å
123	V	96.8	Very high	91.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.2	176.2	-174.7	0	0	0	0	107.8	L98 S100 F103 L121 I180 F181 L182 L183 F288	L98-V123 CarbonylContact O-C 3.57Å; L98-V123 VanDerWaalsContact O-CA 3.31Å; L98-V123 WeakPolarHBondContact O-CA 3.37Å; S100-V123 VanDerWaalsContact CA-CG1 3.47Å; F103-V123 HydrophobicContact CB-CG1 4.2Å; F103-V123 HydrophobicContact CD2-CG2 3.83Å; F103-V123 HydrophobicContact CE2-CG2 4.17Å; F103-V123 HydrophobicContact CG-CG1 4.45Å; F103-V123 HydrophobicContact CG-CG2 4.15Å; L121-V123 HydrophobicContact CD1-CG2 3.39Å; V123-I180 HydrophobicContact CG2-CG2 4.25Å; V123-F181 PolarHBondContact N-O 2.67Å; V123-L182 HydrophobicContact CB-CD1 4.45Å; V123-L182 CarbonylContact O-C 3.48Å; V123-L182 WeakPolarHBondContact O-CA 3.44Å; V123-L183 PolarHBondContact O-N 3.48Å; V123-F288 HydrophobicContact CB-CZ 4.2Å; V123-F288 HydrophobicContact CG2-CZ 4.09Å
124	S	94.9	Very high	91.8	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.028	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.1	172.1	64.8	0	0	0	0	110.5	L98 S100 T126 T189	L98-S124 PolarHBondContact O-N 3.35Å; L98-S124 PolarHBondContact O-OG 3.05Å; S100-S124 VanDerWaalsContact CB-O 3.28Å; S100-S124 WeakPolarHBondContact CB-O 3.46Å; S100-S124 PolarHBondContact N-O 2.96Å; S124-T126 PolarHBondContact O-N 2.83Å; S124-T189 VanDerWaalsContact CB-CG2 3.45Å
125	L	90.8	Very high	92.1	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.257	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-62.3	118.5	179.7	-172.8	68.2	0	0	0	110.9	L182 L183 I456 Y457	L125-L182 HydrophobicContact CB-CD1 4.37Å; L125-L183 PolarHBondContact N-O 3.49Å; L125-I456 HydrophobicContact CD1-CD1 3.65Å; L125-I456 HydrophobicContact CD1-CG1 4.15Å; L125-Y457 HydrophobicContact CD1-CD1 4.36Å; L125-Y457 HydrophobicContact CD1-CE1 3.61Å
126	T	80.9	Confident	92.7	Very high	19 Å²	19	36 Å²	36	12%	0.117	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-82.6	128.4	178.8	-48.7	0	0	0	0	111	S100 K101 S124	S100-T126 PolarHBondContact N-OG1 3.15Å; K101-T126 HydrophobicContact CD-CG2 4.47Å; K101-T126 PolarHBondContact N-OG1 2.79Å; S124-T126 PolarHBondContact O-N 2.83Å
127	K	82.3	Confident	93.1	Very high	126 Å²	126	31 Å²	31	55%	0.548	19%	0.188	S	C	.	.	S	Bend	trans	-114.7	122.3	161.6	-71	-86.3	-175.2	-178.6	0	107.1	E461	K127-E461 IonicContact NZ-OE1 3.35Å; K127-E461 PolarHBondContact NZ-OE1 2.89Å; K127-E461 IonicContact NZ-OE2 2.67Å; K127-E461 PolarHBondContact NZ-OE2 3.33Å
128	P	86.3	Confident	93.3	Very high	113 Å²	113	31 Å²	31	73%	0.734	19%	0.193	S	C	*	.	S	Bend	cis	-74.4	163.5	4.9	32.1	-36.8	0	0	0	114.3
129	N	90.5	Very high	93.4	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	21%	0.213	C	C	.	.			trans	-64.4	151.4	178.5	-57.9	-23.2	0	0	0	111.5	A131 Y457 E461	N129-A131 PolarHBondContact O-N 2.78Å; N129-A131 VanDerWaalsContact O-N 3.11Å; N129-Y457 HydrophobicContact CB-CD1 4.01Å; N129-Y457 HydrophobicContact CB-CE1 4.38Å; N129-Y457 VanDerWaalsContact OD1-CD1 3.31Å; N129-Y457 WeakPolarHBondContact OD1-CD1 3.24Å; N129-E461 PolarHBondContact ND2-OE2 3.08Å; N129-E461 VanDerWaalsContact ND2-OE2 3.1Å
130	P	91.9	Very high	93.4	Very high	20 Å²	20	35.7 Å²	35.7	13%	0.13	22%	0.215	C	C	.	.			trans	-61.2	112.5	-179	-23.3	33.6	0	0	0	113.1	S132 G133 Y452 Y457	P130-S132 PolarHBondContact O-N 2.97Å; P130-S132 VanDerWaalsContact O-N 3.11Å; P130-G133 PolarHBondContact O-N 3.28Å; P130-Y452 PolarHBondContact O-OH 3Å; P130-Y457 HydrophobicContact CG-CE2 3.92Å
131	A	89.9	Confident	93.4	Very high	89 Å²	89	36 Å²	36	74%	0.736	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.8	-173.9	0	0	0	0	0	114.7	N129 G133	N129-A131 PolarHBondContact O-N 2.78Å; N129-A131 VanDerWaalsContact O-N 3.11Å; A131-G133 PolarHBondContact O-N 3.44Å
132	S	91.6	Very high	93.4	Very high	96 Å²	96	36.5 Å²	36.5	67%	0.671	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.1	175.1	55	0	0	0	0	113.9	P130	P130-S132 PolarHBondContact O-N 2.97Å; P130-S132 VanDerWaalsContact O-N 3.11Å
133	G	94.6	Very high	93.2	Very high	13 Å²	13	39.6 Å²	39.6	13%	0.134	24%	0.236	C	C	.	.			trans	88	159.4	-168.6	0	0	0	0	0	113.1	P130 A131 K451	P130-G133 PolarHBondContact O-N 3.28Å; A131-G133 PolarHBondContact O-N 3.44Å; G133-K451 WeakPolarHBondContact CA-O 3.23Å
134	F	96.4	Very high	93.1	Very high	22 Å²	22	41.6 Å²	41.6	10%	0.096	26%	0.257	C	S	.	.			trans	-153.6	108.5	173.5	177.8	-101.8	0	0	0	109.8	F103 P136 N169 L171 K451 S455 Y457	F103-F134 HydrophobicContact CD1-CE1 4.16Å; F103-F134 HydrophobicContact CD1-CE2 4.19Å; F103-F134 AromaticContact CD1-CZ 3.54Å; F103-F134 HydrophobicContact CD1-CZ 3.54Å; F103-F134 HydrophobicContact CE1-CE1 4.37Å; F103-F134 AromaticContact CE1-CZ 3.77Å; F103-F134 HydrophobicContact CE1-CZ 3.77Å; F103-F134 WeakPolarHBondContact O-CE2 3.41Å; F134-P136 HydrophobicContact CE1-CB 4Å; F134-P136 HydrophobicContact CE1-CG 4.2Å; F134-P136 HydrophobicContact CZ-CB 4.07Å; F134-N169 WeakPolarHBondContact CE2-ND2 3.36Å; F134-L171 HydrophobicContact CZ-CD2 4.28Å; F134-K451 PolarHBondContact N-O 3.01Å; F134-S455 WeakPolarHBondContact CD1-OG 3.46Å; F134-S455 WeakPolarHBondContact O-CB 3.45Å; F134-S455 PolarHBondContact O-OG 3.05Å; F134-Y457 HydrophobicContact CB-CD2 4.42Å; F134-Y457 HydrophobicContact CD1-CD2 4.31Å; F134-Y457 HydrophobicContact CD1-CE2 4.38Å
135	S	97.9	Very high	93.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-115.5	113.7	170.7	178.9	0	0	0	0	110	S137 N165 N169 Y453	S135-S137 PolarHBondContact O-N 2.88Å; S135-S137 PolarHBondContact OG-N 2.9Å; S135-N165 PolarHBondContact OG-ND2 3.25Å; S135-N165 PolarHBondContact OG-OD1 3.3Å; S135-N169 VanDerWaalsContact O-CG 3.24Å; S135-N169 PolarHBondContact O-N 2.96Å; S135-N169 VanDerWaalsContact O-N 3.11Å; S135-N169 PolarHBondContact O-ND2 3.5Å; S135-N169 PolarHBondContact O-OD1 3.14Å; S135-Y453 WeakPolarHBondContact CB-O 3.25Å; S135-Y453 PolarHBondContact OG-O 3.02Å
136	P	97.4	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	26%	0.255	C	S	.	.			trans	-76.1	-6.1	177.5	35.3	-37.4	0	0	0	112.6	F134 N169 G170 L171 A172 F287 Q454	F134-P136 HydrophobicContact CE1-CB 4Å; F134-P136 HydrophobicContact CE1-CG 4.2Å; F134-P136 HydrophobicContact CZ-CB 4.07Å; P136-N169 VanDerWaalsContact CA-OD1 3.24Å; P136-N169 WeakPolarHBondContact CA-OD1 3.42Å; P136-G170 CarbonylContact O-C 3.59Å; P136-L171 PolarHBondContact O-N 3.13Å; P136-L171 VanDerWaalsContact O-N 3.09Å; P136-A172 HydrophobicContact CB-CB 4.02Å; P136-A172 VanDerWaalsContact O-CB 3.25Å; P136-A172 WeakPolarHBondContact O-CB 3.3Å; P136-A172 PolarHBondContact O-N 3.28Å; P136-F287 HydrophobicContact CB-CB 4.15Å; P136-F287 HydrophobicContact CG-CB 4.3Å; P136-Q454 WeakPolarHBondContact CD-O 3.5Å; P136-Q454 WeakPolarHBondContact CG-O 3.27Å
137	S	97.9	Very high	94	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-74.2	164.7	178.4	-164.3	0	0	0	0	111.8	S135 G168 N169 G170	S135-S137 PolarHBondContact O-N 2.88Å; S135-S137 PolarHBondContact OG-N 2.9Å; S137-G168 CarbonylContact O-C 3.54Å; S137-G168 WeakPolarHBondContact O-CA 3.22Å; S137-N169 PolarHBondContact O-N 3.33Å; S137-N169 VanDerWaalsContact O-N 3.11Å; S137-G170 PolarHBondContact O-N 2.85Å
138	V	97.2	Very high	94.7	Very high	44 Å²	44	35.3 Å²	35.3	27%	0.267	23%	0.228	S	C	.	.			trans	-65.6	158.8	170.4	-70.7	0	0	0	0	111.3	C140 N165 Y173	V138-C140 VanDerWaalsContact C-N 3.26Å; V138-C140 WeakPolarHBondContact CG2-O 3.47Å; V138-C140 PolarHBondContact O-N 3.45Å; V138-N165 PolarHBondContact O-ND2 3.33Å; V138-Y173 HydrophobicContact CB-CD2 4.49Å; V138-Y173 HydrophobicContact CB-CE2 4.5Å; V138-Y173 HydrophobicContact CG1-CD2 3.63Å; V138-Y173 HydrophobicContact CG1-CE2 4.07Å; V138-Y173 HydrophobicContact CG1-CG 3.97Å; V138-Y173 HydrophobicContact CG2-CD2 4.5Å; V138-Y173 HydrophobicContact CG2-CE2 4.09Å
139	Q	97.1	Very high	95.1	Very high	98 Å²	98	31.8 Å²	31.8	46%	0.458	21%	0.206	S	C	.	.	S	Bend	trans	-65.1	-32.7	177.8	-67.5	-179	-18.7	0	0	112.7	P141 N165 G168	Q139-P141 WeakPolarHBondContact O-CD 3.43Å; Q139-N165 VanDerWaalsContact CA-O 3.3Å; Q139-N165 WeakPolarHBondContact CA-O 3.33Å; Q139-N165 WeakPolarHBondContact O-CB 3.44Å; Q139-N165 PolarHBondContact O-N 3.23Å; Q139-G168 WeakPolarHBondContact CG-O 3.47Å
140	C	96.4	Very high	95.2	Very high	22 Å²	22	36 Å²	36	15%	0.149	23%	0.229	C	C	.	.	S	Bend	trans	-118.3	84.9	179.9	-156.8	0	0	0	0	110.1	V138 D143 C159	V138-C140 VanDerWaalsContact C-N 3.26Å; V138-C140 WeakPolarHBondContact CG2-O 3.47Å; V138-C140 PolarHBondContact O-N 3.45Å; C140-D143 HydrophobicContact CB-CB 4.25Å; C140-C159 HydrophobicContact CB-CB 4.32Å; C140-C159 WeakPolarHBondContact CB-SG 3.46Å; C140-C159 WeakPolarHBondContact SG-CB 3.49Å; C140-C159 CovalentContact SG-SG 2.01Å; C140-C159 PolarHBondContact SG-SG 3.01Å
141	P	96.8	Very high	95.2	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.045	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	143.4	-178	30.5	-36.2	0	0	0	110.9	Q139 D143 P424 Y453	Q139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-D143 PolarHBondContact O-N 2.72Å; P141-P424 HydrophobicContact CG-CB 4.23Å; P141-P424 HydrophobicContact CG-CG 3.75Å; P141-Y453 HydrophobicContact CB-CE1 4.14Å; P141-Y453 HydrophobicContact CG-CE1 4.1Å
142	N	96	Very high	95.4	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.053	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	22.1	178.8	-56.5	55.5	0	0	0	115.1	F145 G146 E333 D336 Y337	N142-F145 PolarHBondContact O-N 3.49Å; N142-F145 VanDerWaalsContact O-N 3.1Å; N142-G146 PolarHBondContact O-N 3.36Å; N142-E333 PolarHBondContact ND2-O 3.46Å; N142-D336 WeakPolarHBondContact ND2-CA 3.49Å; N142-D336 PolarHBondContact ND2-N 2.93Å; N142-Y337 HydrophobicContact CB-CD2 4.11Å; N142-Y337 HydrophobicContact CB-CE1 4.32Å; N142-Y337 HydrophobicContact CB-CE2 3.44Å; N142-Y337 VanDerWaalsContact CB-CE2 3.44Å; N142-Y337 PolarHBondContact ND2-N 3.43Å
143	D	94	Very high	95.4	Very high	65 Å²	65	34.3 Å²	34.3	35%	0.348	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	139.6	173.2	-175.6	31.5	0	0	0	111.4	C140 P141 F145 H158	C140-D143 HydrophobicContact CB-CB 4.25Å; P141-D143 PolarHBondContact O-N 2.72Å; D143-F145 VanDerWaalsContact C-N 3.26Å; D143-F145 PolarHBondContact O-N 2.92Å; D143-H158 VanDerWaalsContact CG-ND1 3.28Å; D143-H158 WeakPolarHBondContact OD1-CA 3.31Å; D143-H158 IonicContact OD1-CE1 3.08Å; D143-H158 IonicContact OD1-CG 3.83Å; D143-H158 IonicContact OD1-ND1 2.66Å; D143-H158 PolarHBondContact OD1-ND1 3.01Å; D143-H158 IonicContact OD2-CE1 3.83Å; D143-H158 IonicContact OD2-CG 3.63Å; D143-H158 IonicContact OD2-ND1 3.39Å; D143-H158 PolarHBondContact OD2-ND1 2.81Å
144	G	93.6	Very high	95.4	Very high	42 Å²	42	36.6 Å²	36.6	43%	0.433	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-14.5	-172.7	0	0	0	0	0	115.4
145	F	96.2	Very high	95.2	Very high	30 Å²	30	38.8 Å²	38.8	13%	0.132	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-7.2	176.1	-65.5	-92.7	0	0	0	113.8	N142 D143 D336 Y337 R429	N142-F145 PolarHBondContact O-N 3.49Å; N142-F145 VanDerWaalsContact O-N 3.1Å; D143-F145 VanDerWaalsContact C-N 3.26Å; D143-F145 PolarHBondContact O-N 2.92Å; F145-D336 HydrophobicContact CB-CB 4.06Å; F145-D336 HydrophobicContact CD1-CB 3.8Å; F145-D336 HydrophobicContact CD2-CB 3.51Å; F145-D336 WeakPolarHBondContact CD2-OD1 3.38Å; F145-D336 HydrophobicContact CE1-CB 4.05Å; F145-D336 HydrophobicContact CE2-CB 3.77Å; F145-D336 WeakPolarHBondContact CE2-OD2 3.48Å; F145-D336 HydrophobicContact CG-CB 3.52Å; F145-D336 HydrophobicContact CZ-CB 4.03Å; F145-Y337 HydrophobicContact CB-CD2 3.9Å; F145-Y337 HydrophobicContact CB-CE2 4.26Å; F145-R429 VanDerWaalsContact O-CD 3.31Å; F145-R429 WeakPolarHBondContact O-CD 3.25Å; F145-R429 PolarHBondContact O-NH1 3.23Å
146	G	95.1	Very high	95	Very high	10 Å²	10	39.3 Å²	39.3	10%	0.103	23%	0.23	C	C	.	.	S	Bend	trans	-70.8	-172.1	169.2	0	0	0	0	0	114.2	N142 R432	N142-G146 PolarHBondContact O-N 3.36Å; G146-R432 WeakPolarHBondContact O-CD 3.32Å
147	V	95.8	Very high	94.8	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.048	23%	0.23	C	C	.	.	S	Bend	trans	-73.7	-37.4	170.9	-72.3	0	0	0	0	112.6	S149 Y152 Q428 L431 R432	V147-S149 PolarHBondContact O-N 3.42Å; V147-Y152 HydrophobicContact CB-CD1 3.89Å; V147-Y152 HydrophobicContact CB-CE1 3.84Å; V147-Y152 HydrophobicContact CG2-CD1 4.29Å; V147-Y152 HydrophobicContact CG2-CE1 4Å; V147-Y152 WeakPolarHBondContact O-CD1 3.39Å; V147-Q428 HydrophobicContact CG1-CB 4.21Å; V147-Q428 WeakPolarHBondContact CG1-O 3.39Å; V147-Q428 HydrophobicContact CG2-CB 4.39Å; V147-Q428 HydrophobicContact CG2-CG 4.34Å; V147-L431 HydrophobicContact CG1-CB 3.41Å; V147-L431 VanDerWaalsContact CG1-CB 3.41Å; V147-R432 HydrophobicContact CB-CG 4.43Å; V147-R432 HydrophobicContact CG1-CG 3.83Å
148	Y	96.3	Very high	94.6	Very high	17 Å²	17	43.5 Å²	43.5	7%	0.067	25%	0.249	C	C	.	.			trans	-74.2	123.7	-169.6	-57.1	-59.6	0	0	0	110.2	Y152 F156 D381 V383 P421 L422	Y148-Y152 CarbonylContact C-O 3.54Å; Y148-Y152 VanDerWaalsContact CA-O 3.31Å; Y148-Y152 WeakPolarHBondContact CA-O 3.48Å; Y148-Y152 HydrophobicContact CD1-CD1 4.15Å; Y148-Y152 HydrophobicContact CD1-CE1 4.31Å; Y148-Y152 HydrophobicContact CE1-CE1 4.22Å; Y148-F156 HydrophobicContact CD1-CB 3.7Å; Y148-F156 HydrophobicContact CD1-CD2 4.05Å; Y148-F156 HydrophobicContact CD1-CG 4.35Å; Y148-F156 HydrophobicContact CD2-CB 4.16Å; Y148-F156 HydrophobicContact CE1-CB 4.15Å; Y148-F156 AromaticContact CE1-CD2 3.8Å; Y148-F156 HydrophobicContact CE1-CD2 3.8Å; Y148-F156 HydrophobicContact CE1-CG 4.35Å; Y148-F156 HydrophobicContact CG-CB 3.72Å; Y148-D381 WeakPolarHBondContact CE1-OD1 3.22Å; Y148-D381 PolarHBondContact OH-OD1 2.91Å; Y148-V383 HydrophobicContact CE1-CG2 4.03Å; Y148-P421 HydrophobicContact CD2-CB 4.14Å; Y148-P421 HydrophobicContact CE2-CB 3.64Å; Y148-L422 HydrophobicContact CE2-CB 4.09Å; Y148-L422 PolarHBondContact OH-N 3.23Å; Y148-L422 VanDerWaalsContact OH-N 3.1Å
149	S	94.1	Very high	94.3	Very high	39 Å²	39	41.9 Å²	41.9	27%	0.273	24%	0.24	S	C	.	.	S	Bend	trans	-149.1	174.7	-176.6	66.2	0	0	0	0	109.4	V147 S151 Y152	V147-S149 PolarHBondContact O-N 3.42Å; S149-S151 PolarHBondContact O-N 2.84Å; S149-S151 PolarHBondContact OG-N 3.43Å; S149-S151 PolarHBondContact OG-OG 3.2Å; S149-Y152 PolarHBondContact N-O 2.94Å; S149-Y152 CarbonylContact O-C 3.43Å; S149-Y152 PolarHBondContact O-N 3.28Å; S149-Y152 PolarHBondContact OG-N 3.38Å; S149-Y152 VanDerWaalsContact OG-N 3.17Å
150	N	92.9	Very high	93.9	Very high	122 Å²	122	45.1 Å²	45.1	65%	0.652	25%	0.248	S	C	*	.	S	Bend	trans	-60	-13.9	173	-64	-40.5	0	0	0	113.5	P154	N150-P154 WeakPolarHBondContact O-CG 3.43Å
151	S	92.9	Very high	93.5	Very high	112 Å²	112	49.8 Å²	49.8	78%	0.783	27%	0.268	S	S	*	.	S	Bend	trans	-102.8	-26.6	177.5	66.6	0	0	0	0	114.2	S149	S149-S151 PolarHBondContact O-N 2.84Å; S149-S151 PolarHBondContact OG-N 3.43Å; S149-S151 PolarHBondContact OG-OG 3.2Å
152	Y	92.5	Very high	93.3	Very high	53 Å²	53	51 Å²	51	21%	0.208	27%	0.274	C	S	.	.	S	Bend	trans	-129	112.9	-176.7	-175.8	-85.5	0	0	0	109.4	V147 Y148 S149 D381 V383 S384	V147-Y152 HydrophobicContact CB-CD1 3.89Å; V147-Y152 HydrophobicContact CB-CE1 3.84Å; V147-Y152 HydrophobicContact CG2-CD1 4.29Å; V147-Y152 HydrophobicContact CG2-CE1 4Å; V147-Y152 WeakPolarHBondContact O-CD1 3.39Å; Y148-Y152 CarbonylContact C-O 3.54Å; Y148-Y152 VanDerWaalsContact CA-O 3.31Å; Y148-Y152 WeakPolarHBondContact CA-O 3.48Å; Y148-Y152 HydrophobicContact CD1-CD1 4.15Å; Y148-Y152 HydrophobicContact CD1-CE1 4.31Å; Y148-Y152 HydrophobicContact CE1-CE1 4.22Å; S149-Y152 PolarHBondContact N-O 2.94Å; S149-Y152 CarbonylContact O-C 3.43Å; S149-Y152 PolarHBondContact O-N 3.28Å; S149-Y152 PolarHBondContact OG-N 3.38Å; S149-Y152 VanDerWaalsContact OG-N 3.17Å; Y152-D381 PolarHBondContact OH-OD2 3.38Å; Y152-V383 HydrophobicContact CD1-CB 4.41Å; Y152-V383 HydrophobicContact CD1-CG1 4.24Å; Y152-V383 HydrophobicContact CD1-CG2 4.44Å; Y152-V383 HydrophobicContact CD2-CG1 3.98Å; Y152-V383 HydrophobicContact CE1-CB 3.62Å; Y152-V383 HydrophobicContact CE1-CG1 3.71Å; Y152-V383 HydrophobicContact CE1-CG2 4Å; Y152-V383 HydrophobicContact CE2-CB 4.2Å; Y152-V383 HydrophobicContact CE2-CG1 3.43Å; Y152-V383 VanDerWaalsContact CE2-CG1 3.43Å; Y152-V383 HydrophobicContact CG-CG1 4.36Å; Y152-V383 VanDerWaalsContact CZ-CB 3.5Å; Y152-V383 WeakPolarHBondContact OH-CB 3.43Å; Y152-V383 WeakPolarHBondContact OH-CG1 3.36Å; Y152-S384 PolarHBondContact OH-N 3.29Å; Y152-S384 PolarHBondContact OH-OG 3.49Å
153	G	92.6	Very high	93.3	Very high	3 Å²	3	53.7 Å²	53.7	3%	0.031	29%	0.286	C	S	.	.			trans	54.7	61.4	-171.1	0	0	0	0	0	114.2	E155 F156 A157	G153-E155 PolarHBondContact O-N 3.24Å; G153-E155 VanDerWaalsContact O-N 3.14Å; G153-F156 WeakPolarHBondContact O-CA 3.31Å; G153-F156 PolarHBondContact O-N 3.22Å; G153-A157 PolarHBondContact O-N 3.22Å; G153-A157 VanDerWaalsContact O-N 3.15Å
154	P	93.9	Very high	93.4	Very high	62 Å²	62	51 Å²	51	40%	0.403	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26	178.5	-22.6	33.2	0	0	0	114.4	N150 F156	N150-P154 WeakPolarHBondContact O-CG 3.43Å; P154-F156 PolarHBondContact O-N 2.71Å
155	E	93.1	Very high	93.6	Very high	67 Å²	67	49.2 Å²	49.2	31%	0.313	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.2	171.5	57.5	-90.7	-145.6	0	0	112.6	G153 K386	G153-E155 PolarHBondContact O-N 3.24Å; G153-E155 VanDerWaalsContact O-N 3.14Å; E155-K386 IonicContact OE1-NZ 2.85Å; E155-K386 PolarHBondContact OE1-NZ 3.34Å
156	F	94.1	Very high	93.6	Very high	12 Å²	12	51 Å²	51	5%	0.053	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-5.9	-175.2	-59	-44.7	0	0	0	114.1	Y148 G153 P154 C159 E161 P382 V383 P421	Y148-F156 HydrophobicContact CD1-CB 3.7Å; Y148-F156 HydrophobicContact CD1-CD2 4.05Å; Y148-F156 HydrophobicContact CD1-CG 4.35Å; Y148-F156 HydrophobicContact CD2-CB 4.16Å; Y148-F156 HydrophobicContact CE1-CB 4.15Å; Y148-F156 AromaticContact CE1-CD2 3.8Å; Y148-F156 HydrophobicContact CE1-CD2 3.8Å; Y148-F156 HydrophobicContact CE1-CG 4.35Å; Y148-F156 HydrophobicContact CG-CB 3.72Å; G153-F156 WeakPolarHBondContact O-CA 3.31Å; G153-F156 PolarHBondContact O-N 3.22Å; P154-F156 PolarHBondContact O-N 2.71Å; F156-C159 PolarHBondContact O-N 3.03Å; F156-E161 HydrophobicContact CD1-CG 3.76Å; F156-E161 HydrophobicContact CE1-CG 3.99Å; F156-P382 HydrophobicContact CE2-CB 3.81Å; F156-P382 HydrophobicContact CE2-CG 3.8Å; F156-P382 HydrophobicContact CZ-CB 4.13Å; F156-P382 HydrophobicContact CZ-CG 3.92Å; F156-V383 HydrophobicContact CD2-CG2 4.29Å; F156-V383 HydrophobicContact CE2-CG2 4.38Å; F156-P421 HydrophobicContact CB-CB 3.91Å; F156-P421 HydrophobicContact CD1-CB 3.92Å; F156-P421 HydrophobicContact CD1-CG 4.01Å; F156-P421 HydrophobicContact CG-CB 3.88Å; F156-P421 HydrophobicContact CG-CG 4.45Å
157	A	92.7	Very high	93.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-57.3	139.2	179.5	0	0	0	0	0	111.1	G153 C159 R160	G153-A157 PolarHBondContact O-N 3.22Å; G153-A157 VanDerWaalsContact O-N 3.15Å; A157-C159 PolarHBondContact O-N 3.23Å; A157-R160 PolarHBondContact O-N 2.86Å
158	H	93.8	Very high	93.7	Very high	90 Å²	90	54.1 Å²	54.1	42%	0.417	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	55.2	34.5	-179.7	-51.5	-65.8	0	0	0	113.4	D143 R160	D143-H158 VanDerWaalsContact CG-ND1 3.28Å; D143-H158 WeakPolarHBondContact OD1-CA 3.31Å; D143-H158 IonicContact OD1-CE1 3.08Å; D143-H158 IonicContact OD1-CG 3.83Å; D143-H158 IonicContact OD1-ND1 2.66Å; D143-H158 PolarHBondContact OD1-ND1 3.01Å; D143-H158 IonicContact OD2-CE1 3.83Å; D143-H158 IonicContact OD2-CG 3.63Å; D143-H158 IonicContact OD2-ND1 3.39Å; D143-H158 PolarHBondContact OD2-ND1 2.81Å; H158-R160 PolarHBondContact O-N 3.01Å
159	C	90	Very high	93.6	Very high	11 Å²	11	55.2 Å²	55.2	7%	0.074	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	43.3	42.1	179.5	62.5	0	0	0	0	114.1	C140 F156 A157 E161 I162 Q163	C140-C159 HydrophobicContact CB-CB 4.32Å; C140-C159 WeakPolarHBondContact CB-SG 3.46Å; C140-C159 WeakPolarHBondContact SG-CB 3.49Å; C140-C159 CovalentContact SG-SG 2.01Å; C140-C159 PolarHBondContact SG-SG 3.01Å; F156-C159 PolarHBondContact O-N 3.03Å; A157-C159 PolarHBondContact O-N 3.23Å; C159-E161 PolarHBondContact O-N 3.12Å; C159-I162 WeakPolarHBondContact CB-O 3.42Å; C159-I162 CarbonylContact O-C 3.57Å; C159-I162 PolarHBondContact O-N 3.16Å; C159-Q163 PolarHBondContact O-NE2 3.06Å; C159-Q163 PolarHBondContact SG-NE2 3.43Å; C159-Q163 PolarHBondContact SG-OE1 2.71Å
160	R	89.1	Confident	93.7	Very high	166 Å²	166	53.9 Å²	53.9	63%	0.626	28%	0.282	S	S	*	.	S	Bend	trans	-56.4	-37	-177.5	-170.9	-179.6	-61.8	161.3	7.2	113.1	A157 H158	A157-R160 PolarHBondContact O-N 2.86Å; H158-R160 PolarHBondContact O-N 3.01Å
161	E	87.9	Confident	93.9	Very high	120 Å²	120	48.1 Å²	48.1	56%	0.561	25%	0.251	S	S	*	.	S	Bend	trans	-74.4	-52.9	-179.9	-65.9	-62.3	148	0	0	112.4	F156 C159 P421	F156-E161 HydrophobicContact CD1-CG 3.76Å; F156-E161 HydrophobicContact CE1-CG 3.99Å; C159-E161 PolarHBondContact O-N 3.12Å; E161-P421 HydrophobicContact CB-CG 4.42Å
162	I	92.6	Very high	94.1	Very high	33 Å²	33	43 Å²	43	17%	0.169	22%	0.216	C	C	.	.			trans	-134.1	119	-172.6	-56.7	178.9	0	0	0	110	C159 W164 Q420	C159-I162 WeakPolarHBondContact CB-O 3.42Å; C159-I162 CarbonylContact O-C 3.57Å; C159-I162 PolarHBondContact O-N 3.16Å; I162-W164 HydrophobicContact CG2-CD2 4.39Å; I162-W164 HydrophobicContact CG2-CE3 4.33Å; I162-W164 HydrophobicContact CG2-CZ3 4.48Å; I162-W164 PolarHBondContact O-N 2.68Å; I162-Q420 HydrophobicContact CD1-CB 3.81Å; I162-Q420 HydrophobicContact CD1-CG 4.36Å
163	Q	95.7	Very high	94.3	Very high	66 Å²	66	42.9 Å²	42.9	31%	0.308	22%	0.215	S	C	.	.			trans	-80.8	103.8	168	-62.3	-63.1	-42.8	0	0	109.1	C159 N165 A447	C159-Q163 PolarHBondContact O-NE2 3.06Å; C159-Q163 PolarHBondContact SG-NE2 3.43Å; C159-Q163 PolarHBondContact SG-OE1 2.71Å; Q163-N165 PolarHBondContact O-N 2.74Å; Q163-A447 WeakPolarHBondContact O-CB 3.45Å
164	W	96.8	Very high	94.5	Very high	9 Å²	9	45 Å²	45	3%	0.034	22%	0.224	C	C	.	.	S	Bend	trans	-60.8	-45.9	-175.7	-63.1	107	0	0	0	112.6	I162 S166 P421 L422 P423 P424 H444 G446 A447 F448	I162-W164 HydrophobicContact CG2-CD2 4.39Å; I162-W164 HydrophobicContact CG2-CE3 4.33Å; I162-W164 HydrophobicContact CG2-CZ3 4.48Å; I162-W164 PolarHBondContact O-N 2.68Å; W164-S166 PolarHBondContact O-N 2.86Å; W164-P421 WeakPolarHBondContact CH2-O 3.39Å; W164-P421 HydrophobicContact CZ2-CG 4.13Å; W164-P421 WeakPolarHBondContact CZ2-O 3.49Å; W164-L422 VanDerWaalsContact CZ2-C 3.46Å; W164-L422 WeakPolarHBondContact CZ2-O 3.36Å; W164-P423 HydrophobicContact CD2-CB 4.1Å; W164-P423 VanDerWaalsContact CE2-CA 3.48Å; W164-P423 HydrophobicContact CE3-CB 3.96Å; W164-P423 HydrophobicContact CH2-CB 3.95Å; W164-P423 HydrophobicContact CH2-CG 4.44Å; W164-P423 VanDerWaalsContact CZ2-CA 3.48Å; W164-P423 HydrophobicContact CZ2-CB 4.07Å; W164-P423 VanDerWaalsContact CZ2-N 3.34Å; W164-P423 HydrophobicContact CZ3-CB 3.89Å; W164-P424 HydrophobicContact CG-CG 4.48Å; W164-H444 AromaticContact CZ3-CD2 3.93Å; W164-G446 WeakPolarHBondContact CZ3-O 3.43Å; W164-A447 CarbonylContact O-C 3.43Å; W164-A447 WeakPolarHBondContact O-CA 3.49Å; W164-F448 HydrophobicContact CB-CD1 4.45Å; W164-F448 HydrophobicContact CB-CD2 4.49Å; W164-F448 HydrophobicContact CB-CE1 3.88Å; W164-F448 HydrophobicContact CB-CE2 3.92Å; W164-F448 HydrophobicContact CB-CZ 3.59Å; W164-F448 HydrophobicContact CE3-CE1 4.24Å; W164-F448 HydrophobicContact CG-CZ 4.42Å; W164-F448 VanDerWaalsContact O-CD2 3.3Å; W164-F448 WeakPolarHBondContact O-CD2 2.94Å; W164-F448 VanDerWaalsContact O-CG 3.25Å; W164-F448 WeakPolarHBondContact O-CG 3.4Å; W164-F448 PolarHBondContact O-N 2.9Å
165	N	97.6	Very high	94.7	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.218	C	C	.	.	S	Bend	trans	-100	73.6	175.5	-177.4	24.2	0	0	0	110.5	S135 V138 Q139 Q163 L167 G168 F448 Y453	S135-N165 PolarHBondContact OG-ND2 3.25Å; S135-N165 PolarHBondContact OG-OD1 3.3Å; V138-N165 PolarHBondContact O-ND2 3.33Å; Q139-N165 VanDerWaalsContact CA-O 3.3Å; Q139-N165 WeakPolarHBondContact CA-O 3.33Å; Q139-N165 WeakPolarHBondContact O-CB 3.44Å; Q139-N165 PolarHBondContact O-N 3.23Å; Q163-N165 PolarHBondContact O-N 2.74Å; N165-L167 PolarHBondContact O-N 3.13Å; N165-L167 VanDerWaalsContact O-N 3.13Å; N165-G168 WeakPolarHBondContact ND2-CA 3.22Å; N165-G168 PolarHBondContact O-N 3.2Å; N165-G168 PolarHBondContact OD1-N 3.38Å; N165-F448 HydrophobicContact CB-CD2 4.07Å; N165-F448 HydrophobicContact CB-CE2 4.14Å; N165-Y453 HydrophobicContact CB-CD1 4.24Å
166	S	96.7	Very high	94.8	Very high	67 Å²	67	41.4 Å²	41.4	47%	0.469	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.3	-176.1	60.8	0	0	0	0	114.4	W164	W164-S166 PolarHBondContact O-N 2.86Å
167	L	96.8	Very high	94.9	Very high	79 Å²	79	44.6 Å²	44.6	41%	0.414	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.8	175.7	-65.5	175.9	0	0	0	113.6	N165 K451	N165-L167 PolarHBondContact O-N 3.13Å; N165-L167 VanDerWaalsContact O-N 3.13Å; L167-K451 HydrophobicContact CD1-CB 4.07Å; L167-K451 HydrophobicContact CD1-CG 4.15Å
168	G	96.6	Very high	95.1	Very high	5 Å²	5	44.8 Å²	44.8	5%	0.052	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-66.8	129.1	177.3	0	0	0	0	0	111.9	S137 Q139 N165	S137-G168 CarbonylContact O-C 3.54Å; S137-G168 WeakPolarHBondContact O-CA 3.22Å; Q139-G168 WeakPolarHBondContact CG-O 3.47Å; N165-G168 WeakPolarHBondContact ND2-CA 3.22Å; N165-G168 PolarHBondContact O-N 3.2Å; N165-G168 PolarHBondContact OD1-N 3.38Å
169	N	93.5	Very high	95.3	Very high	40 Å²	40	40.5 Å²	40.5	21%	0.214	21%	0.208	C	C	.	.			trans	-108.8	-2.1	179.9	68.5	23	0	0	0	113.9	R105 F134 S135 P136 S137 L171	R105-N169 HydrophobicContact CB-CB 4.2Å; F134-N169 WeakPolarHBondContact CE2-ND2 3.36Å; S135-N169 VanDerWaalsContact O-CG 3.24Å; S135-N169 PolarHBondContact O-N 2.96Å; S135-N169 VanDerWaalsContact O-N 3.11Å; S135-N169 PolarHBondContact O-ND2 3.5Å; S135-N169 PolarHBondContact O-OD1 3.14Å; P136-N169 VanDerWaalsContact CA-OD1 3.24Å; P136-N169 WeakPolarHBondContact CA-OD1 3.42Å; S137-N169 PolarHBondContact O-N 3.33Å; S137-N169 VanDerWaalsContact O-N 3.11Å; N169-L171 PolarHBondContact O-N 3.06Å; N169-L171 VanDerWaalsContact O-N 3.13Å; N169-L171 WeakPolarHBondContact OD1-CB 3.44Å; N169-L171 PolarHBondContact OD1-N 3.17Å
170	G	96.6	Very high	95.7	Very high	12 Å²	12	40 Å²	40	12%	0.124	21%	0.205	C	C	.	.			trans	66.3	8.8	177.9	0	0	0	0	0	115.4	P136 S137 A172 Y173	P136-G170 CarbonylContact O-C 3.59Å; S137-G170 PolarHBondContact O-N 2.85Å; G170-A172 VanDerWaalsContact C-N 3.31Å; G170-A172 PolarHBondContact O-N 2.83Å; G170-Y173 PolarHBondContact O-N 3.21Å; G170-Y173 VanDerWaalsContact O-N 3.1Å
171	L	97.1	Very high	96.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-63.7	-33.7	-172.6	-168.5	68.7	0	0	0	113.1	F103 M108 F134 P136 N169 Y173 E174 F176 F287	F103-L171 HydrophobicContact CD1-CD2 4.14Å; F103-L171 HydrophobicContact CE1-CD2 3.48Å; F103-L171 VanDerWaalsContact CE1-CD2 3.48Å; F103-L171 HydrophobicContact CE2-CD2 4.03Å; F103-L171 HydrophobicContact CZ-CD2 3.41Å; F103-L171 VanDerWaalsContact CZ-CD2 3.41Å; F103-L171 HydrophobicContact CZ-CG 4.42Å; M108-L171 HydrophobicContact CB-CD1 3.73Å; M108-L171 HydrophobicContact CG-CD1 3.93Å; M108-L171 HydrophobicContact CG-CD2 4.13Å; F134-L171 HydrophobicContact CZ-CD2 4.28Å; P136-L171 PolarHBondContact O-N 3.13Å; P136-L171 VanDerWaalsContact O-N 3.09Å; N169-L171 PolarHBondContact O-N 3.06Å; N169-L171 VanDerWaalsContact O-N 3.13Å; N169-L171 WeakPolarHBondContact OD1-CB 3.44Å; N169-L171 PolarHBondContact OD1-N 3.17Å; L171-Y173 PolarHBondContact O-N 2.78Å; L171-E174 PolarHBondContact O-N 3.02Å; L171-F176 HydrophobicContact CD1-CE2 4.4Å; L171-F176 HydrophobicContact CD1-CZ 3.67Å; L171-F176 HydrophobicContact CG-CZ 4.34Å; L171-F287 HydrophobicContact CD2-CD2 4.49Å; L171-F287 HydrophobicContact CD2-CE2 4.4Å; L171-F287 HydrophobicContact CG-CD2 4.29Å; L171-F287 HydrophobicContact CG-CE2 3.99Å
172	A	97.1	Very high	96.6	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.041	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-69.2	-10.7	177.5	0	0	0	0	0	114	I60 P136 G170 R285 F287	I60-A172 WeakPolarHBondContact CD1-O 3.48Å; P136-A172 HydrophobicContact CB-CB 4.02Å; P136-A172 VanDerWaalsContact O-CB 3.25Å; P136-A172 WeakPolarHBondContact O-CB 3.3Å; P136-A172 PolarHBondContact O-N 3.28Å; G170-A172 VanDerWaalsContact C-N 3.31Å; G170-A172 PolarHBondContact O-N 2.83Å; A172-R285 PolarHBondContact O-NH2 3.42Å; A172-F287 HydrophobicContact CB-CD2 4.26Å
173	Y	97	Very high	96.8	Very high	49 Å²	49	25 Å²	25	19%	0.192	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-108.3	11	179.9	-64.9	-95.5	0	0	0	112.4	I60 V138 G170 L171 W648	I60-Y173 HydrophobicContact CD1-CD1 4.21Å; I60-Y173 WeakPolarHBondContact CG2-O 3.32Å; V138-Y173 HydrophobicContact CB-CD2 4.49Å; V138-Y173 HydrophobicContact CB-CE2 4.5Å; V138-Y173 HydrophobicContact CG1-CD2 3.63Å; V138-Y173 HydrophobicContact CG1-CE2 4.07Å; V138-Y173 HydrophobicContact CG1-CG 3.97Å; V138-Y173 HydrophobicContact CG2-CD2 4.5Å; V138-Y173 HydrophobicContact CG2-CE2 4.09Å; G170-Y173 PolarHBondContact O-N 3.21Å; G170-Y173 VanDerWaalsContact O-N 3.1Å; L171-Y173 PolarHBondContact O-N 2.78Å; Y173-W648 HydrophobicContact CD1-CH2 4.2Å; Y173-W648 HydrophobicContact CD1-CZ2 4.36Å; Y173-W648 HydrophobicContact CE1-CH2 4.27Å; Y173-W648 HydrophobicContact CE1-CZ2 4.06Å
174	E	96.9	Very high	96.7	Very high	49 Å²	49	26.3 Å²	26.3	23%	0.229	15%	0.147	C	C	.	.	S	Bend	trans	-90.7	151.8	172.2	-71.7	-67.1	152.1	0	0	111.9	G61 R105 K112 L171 F176	G61-E174 PolarHBondContact N-O 2.77Å; R105-E174 IonicContact CZ-OE1 2.82Å; R105-E174 VanDerWaalsContact CZ-OE1 3.23Å; R105-E174 VanDerWaalsContact NH1-CD 3.29Å; R105-E174 IonicContact NH1-OE1 3.82Å; R105-E174 PolarHBondContact NH1-OE1 3.44Å; R105-E174 VanDerWaalsContact NH2-CD 3.32Å; R105-E174 IonicContact NH2-OE1 3.06Å; R105-E174 PolarHBondContact NH2-OE1 2.86Å; R105-E174 IonicContact NH2-OE2 2.74Å; K112-E174 IonicContact NZ-OE2 3.85Å; K112-E174 PolarHBondContact NZ-OE2 3.03Å; L171-E174 PolarHBondContact O-N 3.02Å; E174-F176 HydrophobicContact CB-CD2 4.38Å; E174-F176 HydrophobicContact CB-CE2 3.64Å; E174-F176 HydrophobicContact CB-CZ 3.77Å; E174-F176 HydrophobicContact CG-CZ 4.48Å
175	D	96.8	Very high	96.5	Very high	50 Å²	50	28.3 Å²	28.3	27%	0.267	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.1	166.7	-172.6	20.8	0	0	0	110.5	R52 Q59 K112	R52-D175 IonicContact NH2-OD1 2.74Å; Q59-D175 HydrophobicContact CG-CB 4.42Å; Q59-D175 WeakPolarHBondContact CG-OD2 3.44Å; Q59-D175 PolarHBondContact NE2-OD2 2.69Å; K112-D175 WeakPolarHBondContact CE-O 3.13Å; K112-D175 PolarHBondContact NZ-O 2.67Å
176	F	96.4	Very high	96.3	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.5	176.4	-64.3	-78.7	0	0	0	110.7	G61 C62 Q63 M108 L171 E174 F178 I180 F287	G61-F176 PolarHBondContact O-N 3.07Å; C62-F176 HydrophobicContact CB-CB 4.39Å; Q63-F176 PolarHBondContact N-O 3.41Å; M108-F176 HydrophobicContact CB-CE1 4.31Å; M108-F176 HydrophobicContact CB-CZ 4.49Å; M108-F176 HydrophobicContact CE-CD1 3.81Å; M108-F176 HydrophobicContact CE-CE1 3.34Å; M108-F176 HydrophobicContact CE-CZ 3.82Å; L171-F176 HydrophobicContact CD1-CE2 4.4Å; L171-F176 HydrophobicContact CD1-CZ 3.67Å; L171-F176 HydrophobicContact CG-CZ 4.34Å; E174-F176 HydrophobicContact CB-CD2 4.38Å; E174-F176 HydrophobicContact CB-CE2 3.64Å; E174-F176 HydrophobicContact CB-CZ 3.77Å; E174-F176 HydrophobicContact CG-CZ 4.48Å; F176-F178 HydrophobicContact CB-CE2 4.48Å; F176-F178 HydrophobicContact CD1-CE2 4.12Å; F176-F178 AromaticContact CD1-CZ 3.87Å; F176-F178 HydrophobicContact CD1-CZ 3.87Å; F176-F178 PolarHBondContact O-N 2.85Å; F176-I180 HydrophobicContact CB-CD1 4.28Å; F176-I180 HydrophobicContact CD1-CD1 4.13Å; F176-I180 HydrophobicContact CD2-CD1 3.95Å; F176-I180 HydrophobicContact CE2-CD1 4.34Å; F176-I180 HydrophobicContact CG-CD1 3.84Å; F176-F287 HydrophobicContact CD2-CZ 4.23Å; F176-F287 AromaticContact CE2-CE2 3.9Å; F176-F287 HydrophobicContact CE2-CE2 3.9Å; F176-F287 AromaticContact CE2-CZ 3.94Å; F176-F287 HydrophobicContact CE2-CZ 3.94Å
177	S	95.4	Very high	96.2	Very high	79 Å²	79	33.9 Å²	33.9	55%	0.552	18%	0.181	S	C	*	.	S	Bend	trans	-82.3	13.1	178.2	69.9	0	0	0	0	113.8	T115	T115-S177 PolarHBondContact OG1-OG 2.88Å
178	F	96.6	Very high	96.1	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	17%	0.166	C	C	.	.	S	Bend	trans	-141.9	150.7	178.3	52.1	-105.1	0	0	0	109.7	Q63 M108 L111 L121 F176 I180	Q63-F178 CarbonylContact O-C 3.57Å; Q63-F178 WeakPolarHBondContact O-CA 3.41Å; M108-F178 HydrophobicContact CE-CE2 4.04Å; M108-F178 HydrophobicContact CE-CZ 4.14Å; L111-F178 HydrophobicContact CB-CZ 4.29Å; L121-F178 HydrophobicContact CD2-CD2 4.35Å; L121-F178 HydrophobicContact CD2-CE2 3.67Å; F176-F178 HydrophobicContact CB-CE2 4.48Å; F176-F178 HydrophobicContact CD1-CE2 4.12Å; F176-F178 AromaticContact CD1-CZ 3.87Å; F176-F178 HydrophobicContact CD1-CZ 3.87Å; F176-F178 PolarHBondContact O-N 2.85Å; F178-I180 HydrophobicContact CD2-CD1 4.37Å; F178-I180 HydrophobicContact CD2-CG1 3.97Å; F178-I180 HydrophobicContact CE2-CD1 3.87Å; F178-I180 HydrophobicContact CE2-CG1 3.91Å
179	P	97.9	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.			trans	-70.6	144	179.6	26.9	-34.2	0	0	0	112.3	D69 A119 G120 L121 F181 L217	D69-P179 HydrophobicContact CB-CG 4.23Å; D69-P179 VanDerWaalsContact OD2-CD 3.32Å; D69-P179 WeakPolarHBondContact OD2-CD 3.43Å; A119-P179 VanDerWaalsContact O-CD 3.3Å; A119-P179 WeakPolarHBondContact O-CD 3.3Å; G120-P179 CarbonylContact C-O 3.59Å; G120-P179 WeakPolarHBondContact CA-O 3.42Å; L121-P179 PolarHBondContact N-O 3.39Å; P179-F181 HydrophobicContact CB-CD1 4.26Å; P179-F181 HydrophobicContact CB-CE1 3.93Å; P179-L217 HydrophobicContact CB-CB 4.07Å; P179-L217 HydrophobicContact CB-CD1 4.23Å; P179-L217 HydrophobicContact CG-CB 3.79Å; P179-L217 HydrophobicContact CG-CD1 4.06Å
180	I	98.3	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.7	175.3	-54.3	175.3	0	0	0	108.1	C50 F103 M108 L121 V123 F176 F178 F287 F288	C50-I180 HydrophobicContact CB-CB 4.02Å; C50-I180 VanDerWaalsContact CB-O 3.26Å; C50-I180 WeakPolarHBondContact CB-O 3.28Å; C50-I180 PolarHBondContact N-O 2.86Å; F103-I180 HydrophobicContact CE2-CG2 4.4Å; M108-I180 HydrophobicContact CE-CD1 3.48Å; M108-I180 VanDerWaalsContact CE-CD1 3.48Å; L121-I180 HydrophobicContact CD1-CG2 3.65Å; L121-I180 HydrophobicContact CD2-CD1 4.05Å; L121-I180 HydrophobicContact CD2-CG1 3.85Å; L121-I180 HydrophobicContact CD2-CG2 4.38Å; L121-I180 HydrophobicContact CG-CB 4.29Å; L121-I180 HydrophobicContact CG-CG1 3.93Å; L121-I180 HydrophobicContact CG-CG2 3.85Å; L121-I180 VanDerWaalsContact O-CA 3.31Å; L121-I180 WeakPolarHBondContact O-CA 3.07Å; V123-I180 HydrophobicContact CG2-CG2 4.25Å; F176-I180 HydrophobicContact CB-CD1 4.28Å; F176-I180 HydrophobicContact CD1-CD1 4.13Å; F176-I180 HydrophobicContact CD2-CD1 3.95Å; F176-I180 HydrophobicContact CE2-CD1 4.34Å; F176-I180 HydrophobicContact CG-CD1 3.84Å; F178-I180 HydrophobicContact CD2-CD1 4.37Å; F178-I180 HydrophobicContact CD2-CG1 3.97Å; F178-I180 HydrophobicContact CE2-CD1 3.87Å; F178-I180 HydrophobicContact CE2-CG1 3.91Å; I180-F287 HydrophobicContact CB-CE1 4.07Å; I180-F287 HydrophobicContact CD1-CE1 4.14Å; I180-F287 HydrophobicContact CD1-CZ 3.81Å; I180-F287 HydrophobicContact CG2-CE1 3.81Å; I180-F288 HydrophobicContact CG2-CE1 3.9Å; I180-F288 HydrophobicContact CG2-CZ 4.16Å
181	F	98.3	Very high	96.1	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.7	-177	-81.3	49.7	0	0	0	109.8	A48 P49 L121 A122 V123 P179 L217 I656 A658	A48-F181 CarbonylContact O-C 3.44Å; A48-F181 WeakPolarHBondContact O-CA 3.39Å; P49-F181 HydrophobicContact CB-CD1 4.48Å; P49-F181 HydrophobicContact CB-CE1 4.13Å; P49-F181 HydrophobicContact CB-CE2 4.42Å; P49-F181 HydrophobicContact CB-CZ 4.11Å; L121-F181 PolarHBondContact O-N 2.84Å; A122-F181 CarbonylContact C-O 2.98Å; A122-F181 VanDerWaalsContact CA-O 3.22Å; A122-F181 WeakPolarHBondContact CA-O 3.23Å; V123-F181 PolarHBondContact N-O 2.67Å; P179-F181 HydrophobicContact CB-CD1 4.26Å; P179-F181 HydrophobicContact CB-CE1 3.93Å; F181-L217 HydrophobicContact CB-CD2 4.47Å; F181-L217 HydrophobicContact CD1-CB 4.31Å; F181-L217 HydrophobicContact CD1-CD1 3.94Å; F181-L217 HydrophobicContact CD1-CD2 4.19Å; F181-L217 HydrophobicContact CD1-CG 4.37Å; F181-L217 HydrophobicContact CD2-CD2 4.04Å; F181-L217 HydrophobicContact CE1-CB 3.99Å; F181-L217 HydrophobicContact CE1-CD1 4.44Å; F181-L217 HydrophobicContact CE1-CD2 4.48Å; F181-L217 HydrophobicContact CE2-CD2 4.32Å; F181-L217 HydrophobicContact CG-CD1 4.33Å; F181-L217 HydrophobicContact CG-CD2 3.99Å; F181-L217 HydrophobicContact CZ-CB 4.27Å; F181-I656 HydrophobicContact CE2-CG2 3.79Å; F181-I656 HydrophobicContact CZ-CG2 3.59Å; F181-A658 HydrophobicContact CD2-CB 4.01Å; F181-A658 HydrophobicContact CE2-CB 4Å
182	L	98.1	Very high	96.2	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.2	166.4	-179.3	68.9	0	0	0	108.4	T47 A48 V123 L125 E184 F288 V291 I456	T47-L182 CarbonylContact C-O 3.45Å; T47-L182 VanDerWaalsContact CA-O 3.23Å; T47-L182 WeakPolarHBondContact CA-O 3.29Å; A48-L182 HydrophobicContact CB-CB 4.19Å; A48-L182 HydrophobicContact CB-CD2 4.49Å; A48-L182 PolarHBondContact N-O 2.83Å; A48-L182 PolarHBondContact O-N 3.29Å; V123-L182 HydrophobicContact CB-CD1 4.45Å; V123-L182 CarbonylContact O-C 3.48Å; V123-L182 WeakPolarHBondContact O-CA 3.44Å; L125-L182 HydrophobicContact CB-CD1 4.37Å; L182-E184 HydrophobicContact CD2-CG 4.31Å; L182-E184 HydrophobicContact CG-CG 4.5Å; L182-F288 HydrophobicContact CB-CB 4.44Å; L182-F288 HydrophobicContact CB-CD1 3.61Å; L182-F288 HydrophobicContact CB-CD2 3.85Å; L182-F288 HydrophobicContact CB-CE1 3.65Å; L182-F288 HydrophobicContact CB-CE2 3.89Å; L182-F288 HydrophobicContact CB-CG 3.69Å; L182-F288 HydrophobicContact CB-CZ 3.79Å; L182-F288 HydrophobicContact CD1-CD2 4.41Å; L182-F288 HydrophobicContact CD1-CE2 4.03Å; L182-F288 HydrophobicContact CD1-CZ 4.35Å; L182-F288 HydrophobicContact CD2-CD2 4.03Å; L182-F288 HydrophobicContact CD2-CE2 4.47Å; L182-F288 HydrophobicContact CD2-CG 4.29Å; L182-F288 HydrophobicContact CG-CD2 4.33Å; L182-F288 HydrophobicContact CG-CE2 4.36Å; L182-V291 HydrophobicContact CD2-CG1 4.39Å; L182-V291 HydrophobicContact CD2-CG2 4.33Å; L182-I456 HydrophobicContact CD1-CD1 3.99Å; L182-I456 HydrophobicContact CD2-CD1 4.42Å; L182-I456 HydrophobicContact CD2-CG2 4.22Å
183	L	96.7	Very high	96.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.2	166.7	-54.7	179.3	0	0	0	107.8	L44 T47 L97 A122 V123 L125 I192	L44-L183 HydrophobicContact CD1-CD2 4.02Å; T47-L183 HydrophobicContact CG2-CD2 3.86Å; L97-L183 HydrophobicContact CD1-CD1 3.63Å; A122-L183 HydrophobicContact CB-CD1 4.13Å; A122-L183 HydrophobicContact CB-CD2 4.4Å; A122-L183 HydrophobicContact CB-CG 4.11Å; V123-L183 PolarHBondContact O-N 3.48Å; L125-L183 PolarHBondContact N-O 3.49Å; L183-I192 HydrophobicContact CD1-CD1 3.47Å; L183-I192 VanDerWaalsContact CD1-CD1 3.47Å; L183-I192 HydrophobicContact CD2-CD1 4.41Å
184	E	92.9	Very high	96.2	Very high	93 Å²	93	41.8 Å²	41.8	44%	0.435	21%	0.212	S	C	.	.			trans	-85.3	-32.4	-178.1	-63.4	174.2	-167.1	0	0	111.9	K46 L182	K46-E184 HydrophobicContact CB-CB 4.28Å; K46-E184 PolarHBondContact O-N 2.82Å; L182-E184 HydrophobicContact CD2-CG 4.31Å; L182-E184 HydrophobicContact CG-CG 4.5Å
185	D	93.1	Very high	96.2	Very high	52 Å²	52	40.5 Å²	40.5	28%	0.278	21%	0.209	S	C	.	.			trans	-93.8	124	-179.2	-170.6	0.9	0	0	0	111.7	K46 N187 E188 T189	K46-D185 HydrophobicContact CB-CB 3.92Å; K46-D185 HydrophobicContact CG-CB 4.29Å; D185-N187 PolarHBondContact O-N 2.83Å; D185-N187 WeakPolarHBondContact OD1-CB 3.34Å; D185-N187 PolarHBondContact OD1-N 3.13Å; D185-N187 PolarHBondContact OD1-ND2 2.88Å; D185-E188 HydrophobicContact CB-CB 4.36Å; D185-E188 HydrophobicContact CB-CG 4.1Å; D185-E188 PolarHBondContact O-N 2.87Å; D185-T189 PolarHBondContact O-N 2.96Å; D185-T189 PolarHBondContact O-OG1 3.38Å
186	E	92.9	Very high	96.2	Very high	87 Å²	87	39.3 Å²	39.3	41%	0.407	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-30	175.1	-178.9	57.9	-154.9	0	0	111.6	T189 K190	E186-T189 PolarHBondContact O-N 3.16Å; E186-K190 HydrophobicContact CG-CD 4.38Å; E186-K190 WeakPolarHBondContact O-CG 3.46Å; E186-K190 PolarHBondContact O-N 3.37Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å
187	N	94.8	Very high	96.2	Very high	100 Å²	100	43.4 Å²	43.4	54%	0.535	22%	0.22	S	C	.	.	H	α-helix	trans	-67	-43.4	177.3	-63.5	-47.4	0	0	0	111.5	D185 T189 K190 V191	D185-N187 PolarHBondContact O-N 2.83Å; D185-N187 WeakPolarHBondContact OD1-CB 3.34Å; D185-N187 PolarHBondContact OD1-N 3.13Å; D185-N187 PolarHBondContact OD1-ND2 2.88Å; N187-T189 VanDerWaalsContact C-N 3.3Å; N187-T189 PolarHBondContact O-N 2.72Å; N187-K190 PolarHBondContact O-N 2.99Å; N187-V191 WeakPolarHBondContact O-CG2 3.41Å; N187-V191 PolarHBondContact O-N 3.26Å
188	E	94.8	Very high	96.2	Very high	21 Å²	21	44.3 Å²	44.3	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-40.7	175.8	-66.5	-173	165.7	0	0	110.6	L44 N45 K46 D185 K190 V191 I192	L44-E188 HydrophobicContact CD2-CB 4.46Å; N45-E188 WeakPolarHBondContact CA-OE1 3.37Å; N45-E188 WeakPolarHBondContact CB-OE1 3.45Å; N45-E188 PolarHBondContact N-OE1 3.46Å; N45-E188 PolarHBondContact N-OE2 3.28Å; N45-E188 PolarHBondContact ND2-OE1 2.91Å; K46-E188 PolarHBondContact N-OE1 3.01Å; K46-E188 PolarHBondContact N-OE2 3.13Å; K46-E188 VanDerWaalsContact N-OE2 3.11Å; D185-E188 HydrophobicContact CB-CB 4.36Å; D185-E188 HydrophobicContact CB-CG 4.1Å; D185-E188 PolarHBondContact O-N 2.87Å; E188-K190 PolarHBondContact O-N 2.92Å; E188-V191 PolarHBondContact O-N 3.4Å; E188-I192 WeakPolarHBondContact O-CG1 3.49Å; E188-I192 PolarHBondContact O-N 3.45Å; E188-I192 VanDerWaalsContact O-N 3.07Å
189	T	95.1	Very high	96.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-44.6	174	-58.6	0	0	0	0	111.9	L97 S124 D185 E186 N187 V191 I192 K193	L97-T189 HydrophobicContact CD2-CG2 4.38Å; S124-T189 VanDerWaalsContact CB-CG2 3.45Å; D185-T189 PolarHBondContact O-N 2.96Å; D185-T189 PolarHBondContact O-OG1 3.38Å; E186-T189 PolarHBondContact O-N 3.16Å; N187-T189 VanDerWaalsContact C-N 3.3Å; N187-T189 PolarHBondContact O-N 2.72Å; T189-V191 PolarHBondContact O-N 2.87Å; T189-I192 PolarHBondContact O-N 2.94Å; T189-K193 HydrophobicContact CG2-CD 4.43Å; T189-K193 WeakPolarHBondContact O-CG 3.3Å; T189-K193 PolarHBondContact O-N 3.3Å
190	K	95.8	Very high	96	Very high	114 Å²	114	47.2 Å²	47.2	50%	0.496	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-40.3	176.7	-76.1	168.8	-179.3	167.2	0	112.6	E186 N187 E188 I192 K193 Q194	E186-K190 HydrophobicContact CG-CD 4.38Å; E186-K190 WeakPolarHBondContact O-CG 3.46Å; E186-K190 PolarHBondContact O-N 3.37Å; E186-K190 WeakPolarHBondContact OE1-CE 3.45Å; N187-K190 PolarHBondContact O-N 2.99Å; E188-K190 PolarHBondContact O-N 2.92Å; K190-I192 VanDerWaalsContact C-N 3.31Å; K190-I192 PolarHBondContact O-N 3.46Å; K190-K193 PolarHBondContact O-N 2.99Å; K190-Q194 WeakPolarHBondContact O-CB 3.25Å; K190-Q194 PolarHBondContact O-N 3.48Å
191	V	97.1	Very high	95.7	Very high	67 Å²	67	50.8 Å²	50.8	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-42.1	175.9	173.2	0	0	0	0	110.9	N187 E188 T189 Q194 C195 I660	N187-V191 WeakPolarHBondContact O-CG2 3.41Å; N187-V191 PolarHBondContact O-N 3.26Å; E188-V191 PolarHBondContact O-N 3.4Å; T189-V191 PolarHBondContact O-N 2.87Å; V191-Q194 PolarHBondContact O-N 3.47Å; V191-C195 PolarHBondContact O-N 2.86Å; V191-I660 HydrophobicContact CG1-CD1 4.07Å
192	I	97.3	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-47.4	176.5	-64.5	164	0	0	0	111	L44 I73 L97 L183 E188 T189 K190 Q194 C195 Y196 I660	L44-I192 HydrophobicContact CD1-CD1 3.84Å; L44-I192 HydrophobicContact CD2-CD1 4.06Å; L44-I192 HydrophobicContact CD2-CG1 4.29Å; I73-I192 HydrophobicContact CD1-CG2 3.94Å; I73-I192 HydrophobicContact CG2-CG2 3.97Å; L97-I192 HydrophobicContact CD2-CG2 3.95Å; L183-I192 HydrophobicContact CD1-CD1 3.47Å; L183-I192 VanDerWaalsContact CD1-CD1 3.47Å; L183-I192 HydrophobicContact CD2-CD1 4.41Å; E188-I192 WeakPolarHBondContact O-CG1 3.49Å; E188-I192 PolarHBondContact O-N 3.45Å; E188-I192 VanDerWaalsContact O-N 3.07Å; T189-I192 PolarHBondContact O-N 2.94Å; K190-I192 VanDerWaalsContact C-N 3.31Å; K190-I192 PolarHBondContact O-N 3.46Å; I192-Q194 VanDerWaalsContact C-N 3.3Å; I192-Q194 PolarHBondContact O-N 3.44Å; I192-C195 PolarHBondContact O-N 3.4Å; I192-Y196 PolarHBondContact O-N 3.32Å; I192-I660 HydrophobicContact CG1-CD1 4.14Å; I192-I660 HydrophobicContact CG1-CG2 4.17Å
193	K	96.6	Very high	94.2	Very high	46 Å²	46	59.6 Å²	59.6	20%	0.2	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-42.8	176.7	-73.9	-174.4	175.9	-170.4	0	110.8	V75 L97 E99 T189 K190 Y196 Q197	V75-K193 HydrophobicContact CG2-CG 4.41Å; L97-K193 HydrophobicContact CD2-CG 3.91Å; E99-K193 IonicContact OE1-NZ 2.71Å; E99-K193 PolarHBondContact OE1-NZ 3.17Å; T189-K193 HydrophobicContact CG2-CD 4.43Å; T189-K193 WeakPolarHBondContact O-CG 3.3Å; T189-K193 PolarHBondContact O-N 3.3Å; K190-K193 PolarHBondContact O-N 2.99Å; K193-Y196 WeakPolarHBondContact O-CB 3.14Å; K193-Y196 PolarHBondContact O-N 2.94Å; K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.24Å; K193-Q197 PolarHBondContact O-N 3.28Å
194	Q	97.4	Very high	93.4	Very high	107 Å²	107	67.5 Å²	67.5	50%	0.5	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-47.9	176.1	-174.4	60.1	45.9	0	0	111.8	K190 V191 I192 Y196 Q197 D198	K190-Q194 WeakPolarHBondContact O-CB 3.25Å; K190-Q194 PolarHBondContact O-N 3.48Å; V191-Q194 PolarHBondContact O-N 3.47Å; I192-Q194 VanDerWaalsContact C-N 3.3Å; I192-Q194 PolarHBondContact O-N 3.44Å; Q194-Y196 VanDerWaalsContact C-N 3.26Å; Q194-Y196 PolarHBondContact O-N 3.42Å; Q194-Q197 PolarHBondContact O-N 3.03Å; Q194-Q197 VanDerWaalsContact O-N 3.12Å; Q194-D198 PolarHBondContact NE2-OD1 3.45Å; Q194-D198 PolarHBondContact NE2-OD2 2.79Å; Q194-D198 VanDerWaalsContact O-CG 3.28Å; Q194-D198 PolarHBondContact O-N 3.21Å
195	C	97.1	Very high	92.5	Very high	23 Å²	23	66.5 Å²	66.5	16%	0.155	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-37.3	177.2	-164.9	0	0	0	0	112.6	V191 I192 H199 C213	V191-C195 PolarHBondContact O-N 2.86Å; I192-C195 PolarHBondContact O-N 3.4Å; C195-H199 PolarHBondContact O-N 2.85Å; C195-C213 HydrophobicContact CB-CB 4.11Å; C195-C213 WeakPolarHBondContact CB-SG 3.33Å; C195-C213 WeakPolarHBondContact SG-CB 3.27Å; C195-C213 CovalentContact SG-SG 2.04Å; C195-C213 PolarHBondContact SG-SG 2.93Å
196	Y	96.8	Very high	91.9	Very high	24 Å²	24	67.6 Å²	67.6	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-47.1	173.8	172.4	-102	0	0	0	112.1	I73 H74 V75 I192 K193 Q194 D198 H199 N200 L201	I73-Y196 HydrophobicContact CG2-CD2 4.49Å; I73-Y196 VanDerWaalsContact O-CD2 3.28Å; I73-Y196 WeakPolarHBondContact O-CD2 3.39Å; H74-Y196 PolarHBondContact CE1-OH 2.93Å; H74-Y196 VanDerWaalsContact CE1-OH 3.31Å; H74-Y196 AromaticContact ND1-CE2 3.83Å; H74-Y196 PolarHBondContact ND1-OH 3.07Å; V75-Y196 HydrophobicContact CB-CD1 3.96Å; V75-Y196 HydrophobicContact CB-CE1 4.02Å; V75-Y196 HydrophobicContact CB-CG 4.33Å; V75-Y196 HydrophobicContact CG2-CD1 3.56Å; V75-Y196 HydrophobicContact CG2-CD2 4.15Å; V75-Y196 HydrophobicContact CG2-CE1 4.14Å; V75-Y196 HydrophobicContact CG2-CG 3.57Å; I192-Y196 PolarHBondContact O-N 3.32Å; K193-Y196 WeakPolarHBondContact O-CB 3.14Å; K193-Y196 PolarHBondContact O-N 2.94Å; Q194-Y196 VanDerWaalsContact C-N 3.26Å; Q194-Y196 PolarHBondContact O-N 3.42Å; Y196-D198 VanDerWaalsContact C-N 3.32Å; Y196-D198 PolarHBondContact O-N 3.19Å; Y196-H199 PolarHBondContact O-N 2.98Å; Y196-N200 HydrophobicContact CD2-CB 3.44Å; Y196-N200 VanDerWaalsContact CD2-CB 3.44Å; Y196-N200 HydrophobicContact CE2-CB 3.63Å; Y196-N200 HydrophobicContact CG-CB 4.32Å; Y196-N200 WeakPolarHBondContact O-CB 3.44Å; Y196-N200 PolarHBondContact O-N 2.93Å; Y196-L201 HydrophobicContact CE1-CD2 3.85Å
197	Q	96.1	Very high	91.5	Very high	89 Å²	89	66.5 Å²	66.5	42%	0.416	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-39.7	179.4	-65.3	-63.5	-26	0	0	111.9	K193 Q194 H199	K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.24Å; K193-Q197 PolarHBondContact O-N 3.28Å; Q194-Q197 PolarHBondContact O-N 3.03Å; Q194-Q197 VanDerWaalsContact O-N 3.12Å; Q197-H199 PolarHBondContact O-N 3.39Å
198	D	95.8	Very high	91.3	Very high	99 Å²	99	62.5 Å²	62.5	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-71.5	-29.4	-177	-67.9	-26.2	0	0	0	113.4	Q194 Y196	Q194-D198 PolarHBondContact NE2-OD1 3.45Å; Q194-D198 PolarHBondContact NE2-OD2 2.79Å; Q194-D198 VanDerWaalsContact O-CG 3.28Å; Q194-D198 PolarHBondContact O-N 3.21Å; Y196-D198 VanDerWaalsContact C-N 3.32Å; Y196-D198 PolarHBondContact O-N 3.19Å
199	H	95.9	Very high	91.1	Very high	54 Å²	54	66.2 Å²	66.2	25%	0.25	38%	0.375	C	S	.	.	H	α-helix	trans	-125.2	-30.5	-167.7	-69.9	-78.4	0	0	0	116	C195 Y196 Q197 P211 L212 C213	C195-H199 PolarHBondContact O-N 2.85Å; Y196-H199 PolarHBondContact O-N 2.98Å; Q197-H199 PolarHBondContact O-N 3.39Å; H199-P211 PolarHBondContact ND1-O 3.35Å; H199-P211 VanDerWaalsContact ND1-O 3.15Å; H199-L212 WeakPolarHBondContact O-CD2 3.47Å; H199-C213 HydrophobicContact CB-CB 4.06Å
200	N	95.1	Very high	90.9	Very high	9 Å²	9	70.2 Å²	70.2	5%	0.048	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-2.6	-164	-67.4	-3.3	0	0	0	114.2	I73 Y196 P208 L212 C213	I73-N200 PolarHBondContact O-ND2 3.26Å; Y196-N200 HydrophobicContact CD2-CB 3.44Å; Y196-N200 VanDerWaalsContact CD2-CB 3.44Å; Y196-N200 HydrophobicContact CE2-CB 3.63Å; Y196-N200 HydrophobicContact CG-CB 4.32Å; Y196-N200 WeakPolarHBondContact O-CB 3.44Å; Y196-N200 PolarHBondContact O-N 2.93Å; N200-P208 WeakPolarHBondContact O-CG 2.96Å; N200-L212 WeakPolarHBondContact OD1-CA 3.32Å; N200-L212 WeakPolarHBondContact OD1-CB 3.43Å; N200-C213 PolarHBondContact ND2-O 2.91Å; N200-C213 PolarHBondContact OD1-N 3.22Å
201	L	91.9	Very high	90.9	Very high	75 Å²	75	67.8 Å²	67.8	39%	0.393	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-68.7	139.6	176.3	-71.8	-175.3	0	0	0	112.4	Y196	Y196-L201 HydrophobicContact CE1-CD2 3.85Å
202	S	84.9	Confident	90.9	Very high	48 Å²	48	64.7 Å²	64.7	34%	0.336	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-75.9	120.1	167.5	172.7	0	0	0	0	109.6	G205 S206	S202-G205 WeakPolarHBondContact OG-CA 3.34Å; S202-G205 PolarHBondContact OG-N 2.88Å; S202-S206 VanDerWaalsContact CB-O 3.29Å; S202-S206 WeakPolarHBondContact CB-O 3.02Å; S202-S206 PolarHBondContact OG-N 3.11Å; S202-S206 PolarHBondContact OG-O 2.9Å
203	Q	80.4	Confident	90.9	Very high	141 Å²	141	64.7 Å²	64.7	66%	0.659	37%	0.37	S	S	*	.	S	Bend	trans	-85.2	119.1	171.1	-63.7	-175.1	12.4	0	0	109.1	G205 S206	Q203-G205 VanDerWaalsContact C-N 3.3Å; Q203-G205 PolarHBondContact O-N 3.32Å; Q203-S206 WeakPolarHBondContact O-CB 3.4Å; Q203-S206 PolarHBondContact O-N 3.35Å; Q203-S206 VanDerWaalsContact O-N 3.09Å
204	N	78.8	Confident	91	Very high	168 Å²	168	62.5 Å²	62.5	90%	0.898	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	37.8	175.8	-58.3	-35.2	0	0	0	114.7	S206	N204-S206 PolarHBondContact O-N 3.32Å
205	G	75.1	Confident	91	Very high	71 Å²	71	57.4 Å²	57.4	73%	0.732	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	6.8	178.9	0	0	0	0	0	114.9	S202 Q203	S202-G205 WeakPolarHBondContact OG-CA 3.34Å; S202-G205 PolarHBondContact OG-N 2.88Å; Q203-G205 VanDerWaalsContact C-N 3.3Å; Q203-G205 PolarHBondContact O-N 3.32Å
206	S	81.3	Confident	91.1	Very high	75 Å²	75	57.2 Å²	57.2	52%	0.524	33%	0.333	S	S	.	.	S	Bend	trans	-85.6	160.4	174.2	-60.2	0	0	0	0	111.8	S202 Q203 N204	S202-S206 VanDerWaalsContact CB-O 3.29Å; S202-S206 WeakPolarHBondContact CB-O 3.02Å; S202-S206 PolarHBondContact OG-N 3.11Å; S202-S206 PolarHBondContact OG-O 2.9Å; Q203-S206 WeakPolarHBondContact O-CB 3.4Å; Q203-S206 PolarHBondContact O-N 3.35Å; Q203-S206 VanDerWaalsContact O-N 3.09Å; N204-S206 PolarHBondContact O-N 3.32Å
207	A	83.8	Confident	91.1	Very high	64 Å²	64	56.1 Å²	56.1	53%	0.529	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-59.2	142.5	175.9	0	0	0	0	0	111.4	P90 T209	P90-A207 HydrophobicContact CG-CB 4.08Å; A207-T209 PolarHBondContact O-N 3.49Å
208	P	90.3	Very high	91.2	Very high	16 Å²	16	52.9 Å²	52.9	10%	0.104	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-56.9	137.7	175.4	-26.2	35.5	0	0	0	112.1	N200 L212	N200-P208 WeakPolarHBondContact O-CG 2.96Å; P208-L212 HydrophobicContact CB-CD2 3.68Å
209	T	90.3	Very high	91.3	Very high	99 Å²	99	48.2 Å²	48.2	61%	0.607	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-82	135.4	-178.9	51.6	0	0	0	0	111.3	A207 L212	A207-T209 PolarHBondContact O-N 3.49Å; T209-L212 WeakPolarHBondContact O-CD2 3.37Å
210	F	91.7	Very high	91.4	Very high	85 Å²	85	48 Å²	48	37%	0.373	29%	0.288	S	S	.	.	S	Bend	trans	-69.5	146.9	171.5	-77.2	-91.6	0	0	0	111.5	L212 I663 A664 S665	F210-L212 HydrophobicContact CD1-CB 4.48Å; F210-L212 HydrophobicContact CD1-CD1 4.13Å; F210-L212 HydrophobicContact CD1-CG 3.85Å; F210-L212 HydrophobicContact CE1-CD1 3.66Å; F210-L212 HydrophobicContact CE1-CG 3.89Å; F210-L212 HydrophobicContact CE2-CD1 4.16Å; F210-L212 HydrophobicContact CG-CG 4.24Å; F210-L212 HydrophobicContact CZ-CD1 3.67Å; F210-L212 HydrophobicContact CZ-CG 4.3Å; F210-I663 HydrophobicContact CE1-CD1 4.38Å; F210-I663 HydrophobicContact CE1-CG1 4.47Å; F210-A664 VanDerWaalsContact CD1-C 3.49Å; F210-A664 WeakPolarHBondContact CE1-O 3.32Å; F210-S665 VanDerWaalsContact CD1-N 3.3Å
211	P	94.9	Very high	91.5	Very high	64 Å²	64	47.6 Å²	47.6	42%	0.416	29%	0.286	S	S	.	.	S	Bend	cis	-80.8	144.4	6.4	32.6	-35.6	0	0	0	114	H199 L662 I663	H199-P211 PolarHBondContact ND1-O 3.35Å; H199-P211 VanDerWaalsContact ND1-O 3.15Å; P211-L662 HydrophobicContact CB-CB 4.44Å; P211-I663 WeakPolarHBondContact CA-O 3.28Å; P211-I663 WeakPolarHBondContact CB-O 3.37Å
212	L	97	Very high	91.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	150.5	-179.2	-59.4	177.4	0	0	0	111.5	V72 N91 H199 N200 P208 T209 F210 L662 I663	V72-L212 HydrophobicContact CG1-CB 4.24Å; V72-L212 HydrophobicContact CG1-CD1 4.15Å; V72-L212 HydrophobicContact CG2-CD1 4.16Å; N91-L212 HydrophobicContact CB-CD1 4.39Å; N91-L212 WeakPolarHBondContact ND2-CD1 3.48Å; H199-L212 WeakPolarHBondContact O-CD2 3.47Å; N200-L212 WeakPolarHBondContact OD1-CA 3.32Å; N200-L212 WeakPolarHBondContact OD1-CB 3.43Å; P208-L212 HydrophobicContact CB-CD2 3.68Å; T209-L212 WeakPolarHBondContact O-CD2 3.37Å; F210-L212 HydrophobicContact CD1-CB 4.48Å; F210-L212 HydrophobicContact CD1-CD1 4.13Å; F210-L212 HydrophobicContact CD1-CG 3.85Å; F210-L212 HydrophobicContact CE1-CD1 3.66Å; F210-L212 HydrophobicContact CE1-CG 3.89Å; F210-L212 HydrophobicContact CE2-CD1 4.16Å; F210-L212 HydrophobicContact CG-CG 4.24Å; F210-L212 HydrophobicContact CZ-CD1 3.67Å; F210-L212 HydrophobicContact CZ-CG 4.3Å; L212-L662 CarbonylContact O-C 3.58Å; L212-L662 VanDerWaalsContact O-CA 3.31Å; L212-L662 WeakPolarHBondContact O-CA 3.37Å; L212-I663 HydrophobicContact CB-CD1 4.36Å; L212-I663 HydrophobicContact CB-CG1 3.94Å; L212-I663 PolarHBondContact N-O 3.33Å; L212-I663 WeakPolarHBondContact O-CG1 3.37Å; L212-I663 PolarHBondContact O-N 2.89Å
213	C	98	Very high	92.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.3	171.1	-169.8	0	0	0	0	110.9	I73 C195 H199 N200 L662	I73-C213 PolarHBondContact N-O 2.88Å; C195-C213 HydrophobicContact CB-CB 4.11Å; C195-C213 WeakPolarHBondContact CB-SG 3.33Å; C195-C213 WeakPolarHBondContact SG-CB 3.27Å; C195-C213 CovalentContact SG-SG 2.04Å; C195-C213 PolarHBondContact SG-SG 2.93Å; H199-C213 HydrophobicContact CB-CB 4.06Å; N200-C213 PolarHBondContact ND2-O 2.91Å; N200-C213 PolarHBondContact OD1-N 3.22Å; C213-L662 HydrophobicContact CB-CD2 4.17Å
214	A	98	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.5	-179.6	0	0	0	0	0	111.2	T70 G71 I660 F661 I663	T70-A214 HydrophobicContact CG2-CB 4.34Å; G71-A214 VanDerWaalsContact O-CA 3.31Å; G71-A214 WeakPolarHBondContact O-CA 3.41Å; G71-A214 WeakPolarHBondContact O-CB 3.19Å; A214-I660 VanDerWaalsContact O-CA 3.28Å; A214-I660 WeakPolarHBondContact O-CA 3.36Å; A214-F661 PolarHBondContact N-O 3.42Å; A214-F661 PolarHBondContact O-N 3.31Å; A214-I663 HydrophobicContact CB-CD1 4.28Å; A214-I663 HydrophobicContact CB-CG1 4.2Å; A214-I663 HydrophobicContact CB-CG2 3.63Å
215	M	98.3	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.3	173.4	-178.1	163.6	63	0	0	109.2	L44 T70 G71 I73 M95 A122 L217 R659 I660	L44-M215 HydrophobicContact CD1-SD 3.97Å; T70-M215 WeakPolarHBondContact CA-O 3.37Å; G71-M215 PolarHBondContact N-O 2.97Å; G71-M215 PolarHBondContact O-N 3.23Å; I73-M215 HydrophobicContact CD1-CB 3.78Å; I73-M215 HydrophobicContact CG1-CB 3.69Å; M95-M215 HydrophobicContact CB-CE 4.45Å; M95-M215 HydrophobicContact CG-CB 4.31Å; M95-M215 HydrophobicContact CG-CE 3.44Å; M95-M215 VanDerWaalsContact CG-CE 3.44Å; M95-M215 HydrophobicContact SD-CB 3.48Å; M95-M215 WeakPolarHBondContact SD-CB 3.49Å; M95-M215 HydrophobicContact SD-CE 3.41Å; M95-M215 WeakPolarHBondContact SD-CE 3.36Å; M95-M215 HydrophobicContact SD-CG 3.5Å; M95-M215 WeakPolarHBondContact SD-CG 3.49Å; M95-M215 VanDerWaalsContact SD-O 3.37Å; M95-M215 HydrophobicContact SD-SD 4.25Å; A122-M215 HydrophobicContact CB-CE 3.65Å; A122-M215 HydrophobicContact CB-SD 4.44Å; M215-L217 HydrophobicContact CE-CD2 4.46Å; M215-L217 HydrophobicContact CG-CD2 4.01Å; M215-L217 HydrophobicContact CG-CG 4.4Å; M215-L217 HydrophobicContact SD-CD2 4.09Å; M215-R659 WeakPolarHBondContact CA-O 3.4Å; M215-I660 HydrophobicContact CB-CG2 3.93Å; M215-I660 HydrophobicContact CG-CG2 3.91Å; M215-I660 HydrophobicContact SD-CG2 4.1Å
216	Q	98.2	Very high	94.8	Very high	19 Å²	19	33.6 Å²	33.6	9%	0.089	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.5	174.1	-176.7	177.9	34.4	0	0	110.2	S67 D69 T70 F218 A658 R659 F661	S67-Q216 PolarHBondContact O-NE2 3.41Å; D69-Q216 VanDerWaalsContact O-CA 3.26Å; D69-Q216 WeakPolarHBondContact O-CA 3.45Å; T70-Q216 HydrophobicContact CG2-CB 4.45Å; T70-Q216 WeakPolarHBondContact OG1-CB 3.39Å; T70-Q216 VanDerWaalsContact OG1-CD 3.24Å; T70-Q216 WeakPolarHBondContact OG1-CG 3.41Å; T70-Q216 PolarHBondContact OG1-NE2 3.1Å; Q216-F218 HydrophobicContact CB-CE2 4.36Å; Q216-F218 VanDerWaalsContact CD-CE2 3.49Å; Q216-F218 HydrophobicContact CG-CD2 4.2Å; Q216-F218 HydrophobicContact CG-CE2 3.59Å; Q216-F218 HydrophobicContact CG-CZ 3.83Å; Q216-F218 VanDerWaalsContact OE1-CZ 3.26Å; Q216-A658 WeakPolarHBondContact O-CA 3.47Å; Q216-R659 HydrophobicContact CB-CG 4.3Å; Q216-R659 PolarHBondContact N-O 3.39Å; Q216-R659 PolarHBondContact O-N 3.2Å; Q216-R659 VanDerWaalsContact OE1-CZ 3.31Å; Q216-F661 HydrophobicContact CB-CE1 3.72Å; Q216-F661 HydrophobicContact CB-CZ 4.35Å
217	L	98.1	Very high	95.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.3	-179.4	-57.7	177.9	0	0	0	109.7	G68 D69 M95 P179 F181 M215 A658	G68-L217 CarbonylContact C-O 3.51Å; G68-L217 VanDerWaalsContact CA-O 3.24Å; G68-L217 WeakPolarHBondContact CA-O 3.35Å; D69-L217 PolarHBondContact N-O 2.94Å; D69-L217 PolarHBondContact O-N 3.21Å; M95-L217 HydrophobicContact CE-CB 4.48Å; M95-L217 HydrophobicContact CE-CD1 4.06Å; M95-L217 HydrophobicContact CE-CG 3.98Å; M95-L217 HydrophobicContact SD-CD1 3.68Å; M95-L217 HydrophobicContact SD-CD2 4.43Å; M95-L217 HydrophobicContact SD-CG 3.6Å; M95-L217 VanDerWaalsContact SD-CG 3.6Å; P179-L217 HydrophobicContact CB-CB 4.07Å; P179-L217 HydrophobicContact CB-CD1 4.23Å; P179-L217 HydrophobicContact CG-CB 3.79Å; P179-L217 HydrophobicContact CG-CD1 4.06Å; F181-L217 HydrophobicContact CB-CD2 4.47Å; F181-L217 HydrophobicContact CD1-CB 4.31Å; F181-L217 HydrophobicContact CD1-CD1 3.94Å; F181-L217 HydrophobicContact CD1-CD2 4.19Å; F181-L217 HydrophobicContact CD1-CG 4.37Å; F181-L217 HydrophobicContact CD2-CD2 4.04Å; F181-L217 HydrophobicContact CE1-CB 3.99Å; F181-L217 HydrophobicContact CE1-CD1 4.44Å; F181-L217 HydrophobicContact CE1-CD2 4.48Å; F181-L217 HydrophobicContact CE2-CD2 4.32Å; F181-L217 HydrophobicContact CG-CD1 4.33Å; F181-L217 HydrophobicContact CG-CD2 3.99Å; F181-L217 HydrophobicContact CZ-CB 4.27Å; M215-L217 HydrophobicContact CE-CD2 4.46Å; M215-L217 HydrophobicContact CG-CD2 4.01Å; M215-L217 HydrophobicContact CG-CG 4.4Å; M215-L217 HydrophobicContact SD-CD2 4.09Å; L217-A658 HydrophobicContact CD2-CB 3.41Å; L217-A658 VanDerWaalsContact CD2-CB 3.41Å
218	F	98.1	Very high	96.2	Very high	22 Å²	22	28.1 Å²	28.1	10%	0.096	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	108.6	175.4	-61.4	-97.5	0	0	0	108.6	S67 Q216 I656 R657 R659	S67-F218 VanDerWaalsContact C-CE1 3.49Å; S67-F218 WeakPolarHBondContact O-CE1 3.16Å; Q216-F218 HydrophobicContact CB-CE2 4.36Å; Q216-F218 VanDerWaalsContact CD-CE2 3.49Å; Q216-F218 HydrophobicContact CG-CD2 4.2Å; Q216-F218 HydrophobicContact CG-CE2 3.59Å; Q216-F218 HydrophobicContact CG-CZ 3.83Å; Q216-F218 VanDerWaalsContact OE1-CZ 3.26Å; F218-I656 VanDerWaalsContact O-CA 3.27Å; F218-I656 WeakPolarHBondContact O-CA 3.41Å; F218-I656 WeakPolarHBondContact O-CG2 3.41Å; F218-R657 HydrophobicContact CB-CG 3.97Å; F218-R657 WeakPolarHBondContact CB-O 3.46Å; F218-R657 HydrophobicContact CD2-CG 3.65Å; F218-R657 HydrophobicContact CE2-CG 4.4Å; F218-R657 HydrophobicContact CG-CG 4.02Å; F218-R657 PolarHBondContact N-O 2.97Å; F218-R657 PolarHBondContact O-N 3.23Å; F218-R659 HydrophobicContact CE2-CG 4.47Å
219	S	97.3	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.			trans	-147.4	51.6	175.7	-164.8	0	0	0	0	110	S64 M221	S64-S219 PolarHBondContact N-O 2.63Å; S64-S219 PolarHBondContact OG-N 3.37Å; S219-M221 PolarHBondContact O-N 2.8Å; S219-M221 WeakPolarHBondContact OG-CE 3.45Å
220	H	97.6	Very high	96.9	Very high	49 Å²	49	24.1 Å²	24.1	23%	0.227	13%	0.13	C	C	.	.			trans	-75.3	118.7	-179.6	177	-90.4	0	0	0	110.4	S64 I66 H222 W653	S64-H220 PolarHBondContact O-CD2 3.4Å; S64-H220 PolarHBondContact OG-N 2.93Å; S64-H220 VanDerWaalsContact OG-N 3.11Å; I66-H220 VanDerWaalsContact CA-CD2 3.43Å; I66-H220 WeakPolarHBondContact CA-CD2 3.36Å; I66-H220 HydrophobicContact CD1-CB 4.28Å; I66-H220 VanDerWaalsContact CD1-ND1 3.34Å; I66-H220 WeakPolarHBondContact CD1-ND1 3.38Å; I66-H220 PolarHBondContact N-CD2 2.79Å; H220-H222 AromaticContact CE1-CD2 3.93Å; H220-H222 AromaticContact ND1-CD2 3.63Å; H220-W653 WeakPolarHBondContact O-CB 3.33Å
221	M	97.4	Very high	97.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.119	C	C	.	.			trans	-95.7	130.7	179.6	-61.8	-64.2	155.1	0	0	110	V51 R52 C62 Q63 S219 S651 W653 I656	V51-M221 HydrophobicContact CB-CE 4.18Å; V51-M221 HydrophobicContact CG1-CE 4.14Å; V51-M221 HydrophobicContact CG1-SD 4.1Å; V51-M221 HydrophobicContact CG2-CE 3.94Å; R52-M221 HydrophobicContact CB-CB 3.91Å; R52-M221 HydrophobicContact CB-CG 3.64Å; R52-M221 HydrophobicContact CB-SD 4.19Å; C62-M221 WeakPolarHBondContact O-CG 3.36Å; Q63-M221 HydrophobicContact CB-CB 4.39Å; Q63-M221 HydrophobicContact CB-CG 4.31Å; Q63-M221 HydrophobicContact CG-CB 4.2Å; Q63-M221 HydrophobicContact CG-CG 4.49Å; Q63-M221 PolarHBondContact NE2-O 3.15Å; Q63-M221 VanDerWaalsContact NE2-O 3.1Å; S219-M221 PolarHBondContact O-N 2.8Å; S219-M221 WeakPolarHBondContact OG-CE 3.45Å; M221-S651 WeakPolarHBondContact CB-OG 2.98Å; M221-W653 HydrophobicContact CE-CB 4.44Å; M221-W653 HydrophobicContact CE-CE3 4.25Å; M221-W653 HydrophobicContact SD-CB 4.15Å; M221-W653 HydrophobicContact SD-CD2 4.44Å; M221-W653 HydrophobicContact SD-CE3 3.82Å; M221-I656 HydrophobicContact CE-CD1 4.05Å
222	H	96.6	Very high	97.2	Very high	45 Å²	45	25 Å²	25	21%	0.208	12%	0.124	C	C	.	.	S	Bend	trans	-74.8	-30.2	-177.9	-64.2	-174.3	0	0	0	112.4	H220 E245 V247 S651 R652	H220-H222 AromaticContact CE1-CD2 3.93Å; H220-H222 AromaticContact ND1-CD2 3.63Å; H222-E245 IonicContact CE1-OE1 3.79Å; H222-E245 IonicContact ND1-OE1 2.77Å; H222-V247 HydrophobicContact CB-CG1 4.06Å; H222-V247 WeakPolarHBondContact O-CG1 3.47Å; H222-S651 PolarHBondContact N-OG 3.25Å; H222-R652 WeakPolarHBondContact CB-O 3.3Å; H222-R652 PolarHBondContact N-O 3.45Å
223	A	95.8	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.143	C	C	.	.			trans	-88.6	151.8	-172.9	0	0	0	0	0	113.4	R52 L54 C230 V247 C248 S651	R52-A223 WeakPolarHBondContact CD-O 3.37Å; R52-A223 PolarHBondContact NH1-O 2.74Å; L54-A223 HydrophobicContact CD1-CB 3.51Å; A223-C230 HydrophobicContact CB-CB 4.31Å; A223-V247 HydrophobicContact CB-CG1 3.83Å; A223-C248 HydrophobicContact CB-CB 4.13Å; A223-S651 WeakPolarHBondContact CB-OG 3.29Å; A223-S651 PolarHBondContact N-OG 3.3Å
224	V	95.1	Very high	96.9	Very high	46 Å²	46	30.6 Å²	30.6	28%	0.279	15%	0.146	S	C	.	.			trans	-147.4	155.6	-175.9	-65.5	0	0	0	0	112	S226 T229	V224-S226 PolarHBondContact O-N 3.02Å; V224-T229 PolarHBondContact O-OG1 2.68Å; V224-T229 VanDerWaalsContact O-OG1 3.05Å
225	I	95.9	Very high	96.8	Very high	109 Å²	109	32.6 Å²	32.6	56%	0.559	16%	0.16	S	C	*	.	S	Bend	trans	70.6	-69.1	172.2	-50.7	-58.3	0	0	0	114.4	H58 Q59 T229	H58-I225 CarbonylContact C-O 3.55Å; Q59-I225 PolarHBondContact N-O 2.67Å; I225-T229 HydrophobicContact CB-CG2 4.38Å; I225-T229 HydrophobicContact CG2-CG2 4.25Å
226	S	97.4	Very high	96.6	Very high	10 Å²	10	36.6 Å²	36.6	7%	0.07	18%	0.181	C	C	.	.			trans	-160.2	167.7	-173.5	66.6	0	0	0	0	111.9	V224 A228 T229 C230	V224-S226 PolarHBondContact O-N 3.02Å; S226-A228 VanDerWaalsContact C-N 3.31Å; S226-A228 PolarHBondContact O-N 2.83Å; S226-T229 PolarHBondContact N-OG1 3.11Å; S226-T229 PolarHBondContact O-N 3.16Å; S226-T229 PolarHBondContact O-OG1 3.35Å; S226-T229 PolarHBondContact OG-N 2.83Å; S226-T229 PolarHBondContact OG-OG1 3.49Å; S226-C230 WeakPolarHBondContact O-CB 3.47Å; S226-C230 PolarHBondContact O-N 3.07Å
227	T	97.5	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-42.1	172.4	-69.3	0	0	0	0	111.4	L54 N55 T229 C230 M231 F635 W640 T647 T649	L54-T227 VanDerWaalsContact C-OG1 3.26Å; L54-T227 WeakPolarHBondContact CB-OG1 3.39Å; L54-T227 PolarHBondContact O-OG1 3Å; L54-T227 VanDerWaalsContact O-OG1 3.04Å; N55-T227 WeakPolarHBondContact O-CB 3.45Å; N55-T227 PolarHBondContact O-N 3.43Å; N55-T227 PolarHBondContact O-OG1 3.16Å; T227-T229 PolarHBondContact O-N 2.83Å; T227-C230 PolarHBondContact O-N 2.81Å; T227-M231 HydrophobicContact CG2-CG 3.9Å; T227-M231 WeakPolarHBondContact O-CB 3.36Å; T227-M231 WeakPolarHBondContact O-CG 3.16Å; T227-M231 PolarHBondContact O-N 2.9Å; T227-F635 HydrophobicContact CG2-CE1 3.81Å; T227-F635 HydrophobicContact CG2-CZ 4.12Å; T227-W640 HydrophobicContact CG2-CB 4.35Å; T227-T647 WeakPolarHBondContact CB-O 3.38Å; T227-T647 VanDerWaalsContact CG2-O 3.31Å; T227-T647 WeakPolarHBondContact CG2-O 3.35Å; T227-T647 PolarHBondContact OG1-O 3.11Å; T227-T649 HydrophobicContact CG2-CG2 3.45Å; T227-T649 VanDerWaalsContact CG2-CG2 3.45Å; T227-T649 PolarHBondContact OG1-OG1 3.24Å
228	A	97.2	Very high	96.2	Very high	24 Å²	24	41 Å²	41	20%	0.198	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-44.4	-179.6	0	0	0	0	0	112.2	S226 R232 W640	S226-A228 VanDerWaalsContact C-N 3.31Å; S226-A228 PolarHBondContact O-N 2.83Å; A228-R232 WeakPolarHBondContact O-CB 3.28Å; A228-R232 PolarHBondContact O-N 3.13Å; A228-W640 HydrophobicContact CB-CB 4.26Å
229	T	97	Very high	95.9	Very high	29 Å²	29	44.7 Å²	44.7	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-68	-40.1	176.2	45.5	0	0	0	0	111.9	V224 I225 S226 T227 R233	V224-T229 PolarHBondContact O-OG1 2.68Å; V224-T229 VanDerWaalsContact O-OG1 3.05Å; I225-T229 HydrophobicContact CB-CG2 4.38Å; I225-T229 HydrophobicContact CG2-CG2 4.25Å; S226-T229 PolarHBondContact N-OG1 3.11Å; S226-T229 PolarHBondContact O-N 3.16Å; S226-T229 PolarHBondContact O-OG1 3.35Å; S226-T229 PolarHBondContact OG-N 2.83Å; S226-T229 PolarHBondContact OG-OG1 3.49Å; T227-T229 PolarHBondContact O-N 2.83Å; T229-R233 WeakPolarHBondContact O-CG 3.5Å; T229-R233 PolarHBondContact O-N 3.06Å; T229-R233 VanDerWaalsContact O-N 3.11Å
230	C	96.9	Very high	95.8	Very high	2 Å²	2	53 Å²	53	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-68.2	-54.4	-178.3	-177.5	0	0	0	0	112.4	L54 A223 S226 T227 R232 R233 S234 C248	L54-C230 HydrophobicContact CD1-CB 3.69Å; A223-C230 HydrophobicContact CB-CB 4.31Å; S226-C230 WeakPolarHBondContact O-CB 3.47Å; S226-C230 PolarHBondContact O-N 3.07Å; T227-C230 PolarHBondContact O-N 2.81Å; C230-R232 VanDerWaalsContact C-N 3.27Å; C230-R232 PolarHBondContact O-N 3.48Å; C230-R233 PolarHBondContact O-N 3.38Å; C230-R233 VanDerWaalsContact O-N 3.14Å; C230-S234 WeakPolarHBondContact O-CB 3.29Å; C230-S234 PolarHBondContact O-N 2.9Å; C230-C248 HydrophobicContact CB-CB 4.17Å; C230-C248 WeakPolarHBondContact CB-SG 3.15Å; C230-C248 WeakPolarHBondContact SG-CB 3.47Å; C230-C248 PolarHBondContact SG-N 3.47Å; C230-C248 VanDerWaalsContact SG-N 3.38Å; C230-C248 CovalentContact SG-SG 2Å; C230-C248 PolarHBondContact SG-SG 2.64Å
231	M	96.9	Very high	95.6	Very high	29 Å²	29	53.2 Å²	53.2	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-38.7	179.1	-70.5	-59.7	-62.7	0	0	111.5	T227 S234 S235 P250 F635 W640 T649	T227-M231 HydrophobicContact CG2-CG 3.9Å; T227-M231 WeakPolarHBondContact O-CB 3.36Å; T227-M231 WeakPolarHBondContact O-CG 3.16Å; T227-M231 PolarHBondContact O-N 2.9Å; M231-S234 PolarHBondContact O-N 3.32Å; M231-S235 WeakPolarHBondContact O-CB 3.4Å; M231-S235 PolarHBondContact O-N 3.19Å; M231-S235 PolarHBondContact O-OG 3.14Å; M231-P250 HydrophobicContact CE-CG 4.11Å; M231-P250 HydrophobicContact SD-CG 4.25Å; M231-F635 HydrophobicContact CE-CD1 4.43Å; M231-F635 HydrophobicContact CG-CE1 4.25Å; M231-W640 HydrophobicContact CB-CB 4.49Å; M231-W640 HydrophobicContact CB-CD2 3.43Å; M231-W640 VanDerWaalsContact CB-CD2 3.43Å; M231-W640 HydrophobicContact CB-CE3 3.66Å; M231-W640 HydrophobicContact CB-CG 3.83Å; M231-W640 HydrophobicContact CB-CH2 4.27Å; M231-W640 HydrophobicContact CB-CZ2 4.06Å; M231-W640 HydrophobicContact CB-CZ3 4.1Å; M231-W640 HydrophobicContact CG-CD2 4.28Å; M231-W640 HydrophobicContact CG-CG 4.2Å; M231-T649 HydrophobicContact CG-CG2 4.2Å; M231-T649 HydrophobicContact SD-CG2 4.13Å
232	R	96	Very high	95.4	Very high	139 Å²	139	61.6 Å²	61.6	53%	0.525	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-50.8	174	-175.9	178.6	65.9	-169.7	-0.4	111.9	A228 C230 S234 S235 I236 W640	A228-R232 WeakPolarHBondContact O-CB 3.28Å; A228-R232 PolarHBondContact O-N 3.13Å; C230-R232 VanDerWaalsContact C-N 3.27Å; C230-R232 PolarHBondContact O-N 3.48Å; R232-S234 VanDerWaalsContact C-N 3.33Å; R232-S234 PolarHBondContact O-N 2.95Å; R232-S235 PolarHBondContact O-N 3.23Å; R232-S235 PolarHBondContact O-OG 2.57Å; R232-I236 HydrophobicContact CG-CD1 3.89Å; R232-I236 VanDerWaalsContact O-CG1 3.28Å; R232-I236 WeakPolarHBondContact O-CG1 3.5Å; R232-I236 PolarHBondContact O-N 3.3Å; R232-W640 VanDerWaalsContact CA-CZ3 3.41Å; R232-W640 HydrophobicContact CB-CE3 4.29Å; R232-W640 HydrophobicContact CB-CZ3 3.78Å
233	R	95.1	Very high	95.2	Very high	110 Å²	110	65.9 Å²	65.9	42%	0.415	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-42.7	178.7	-74.1	176.2	62.7	-168.2	-4.5	111.8	T229 C230 I236 Q237	T229-R233 WeakPolarHBondContact O-CG 3.5Å; T229-R233 PolarHBondContact O-N 3.06Å; T229-R233 VanDerWaalsContact O-N 3.11Å; C230-R233 PolarHBondContact O-N 3.38Å; C230-R233 VanDerWaalsContact O-N 3.14Å; R233-I236 PolarHBondContact O-N 2.95Å; R233-Q237 WeakPolarHBondContact O-CG 3.21Å; R233-Q237 PolarHBondContact O-N 2.98Å
234	S	95.3	Very high	94.8	Very high	8 Å²	8	68.8 Å²	68.8	6%	0.056	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-48.1	176.2	-163.6	0	0	0	0	111.2	C230 M231 R232 I236 Q237 S238 I246	C230-S234 WeakPolarHBondContact O-CB 3.29Å; C230-S234 PolarHBondContact O-N 2.9Å; M231-S234 PolarHBondContact O-N 3.32Å; R232-S234 VanDerWaalsContact C-N 3.33Å; R232-S234 PolarHBondContact O-N 2.95Å; S234-I236 PolarHBondContact O-N 2.94Å; S234-Q237 PolarHBondContact O-N 3.04Å; S234-S238 WeakPolarHBondContact O-CB 3.19Å; S234-S238 PolarHBondContact O-N 2.9Å; S234-S238 PolarHBondContact O-OG 3.5Å; S234-I246 WeakPolarHBondContact OG-CD1 3.41Å; S234-I246 WeakPolarHBondContact OG-CG2 3.21Å
235	S	94.7	Very high	94.6	Very high	42 Å²	42	71.7 Å²	71.7	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-43.5	178.6	69.5	0	0	0	0	112.6	M231 R232 Q237 S238 T239	M231-S235 WeakPolarHBondContact O-CB 3.4Å; M231-S235 PolarHBondContact O-N 3.19Å; M231-S235 PolarHBondContact O-OG 3.14Å; R232-S235 PolarHBondContact O-N 3.23Å; R232-S235 PolarHBondContact O-OG 2.57Å; S235-Q237 PolarHBondContact O-N 3.24Å; S235-S238 PolarHBondContact O-N 3Å; S235-T239 WeakPolarHBondContact O-CG2 3.39Å; S235-T239 PolarHBondContact O-N 2.79Å; S235-T239 PolarHBondContact O-OG1 3.38Å; S235-T239 VanDerWaalsContact O-OG1 3.07Å
236	I	95.1	Very high	94.5	Very high	84 Å²	84	68.4 Å²	68.4	43%	0.431	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-44	177.2	-68.8	166.9	0	0	0	110.6	R232 R233 S234 T239 F240	R232-I236 HydrophobicContact CG-CD1 3.89Å; R232-I236 VanDerWaalsContact O-CG1 3.28Å; R232-I236 WeakPolarHBondContact O-CG1 3.5Å; R232-I236 PolarHBondContact O-N 3.3Å; R233-I236 PolarHBondContact O-N 2.95Å; S234-I236 PolarHBondContact O-N 2.94Å; I236-T239 PolarHBondContact O-N 3.45Å; I236-T239 PolarHBondContact O-OG1 3.16Å; I236-F240 HydrophobicContact CG2-CD2 4.05Å; I236-F240 WeakPolarHBondContact O-CB 3.39Å; I236-F240 WeakPolarHBondContact O-CD2 3.21Å; I236-F240 PolarHBondContact O-N 3.45Å
237	Q	93.7	Very high	94.3	Very high	52 Å²	52	68.1 Å²	68.1	24%	0.243	35%	0.353	C	S	.	.	H	α-helix	trans	-67.2	-39.7	177.5	-73.6	-178.5	-58.2	0	0	111.4	R233 S234 S235 T239 S241 P244 E245	R233-Q237 WeakPolarHBondContact O-CG 3.21Å; R233-Q237 PolarHBondContact O-N 2.98Å; S234-Q237 PolarHBondContact O-N 3.04Å; S235-Q237 PolarHBondContact O-N 3.24Å; Q237-T239 VanDerWaalsContact C-N 3.31Å; Q237-T239 PolarHBondContact O-N 3.48Å; Q237-S241 WeakPolarHBondContact O-CA 3.36Å; Q237-S241 WeakPolarHBondContact O-CB 3.24Å; Q237-S241 PolarHBondContact O-N 2.91Å; Q237-P244 WeakPolarHBondContact O-CB 3.18Å; Q237-E245 PolarHBondContact OE1-O 3.38Å
238	S	92.9	Very high	94.2	Very high	61 Å²	61	68.2 Å²	68.2	43%	0.427	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-34.6	174.9	-59.9	0	0	0	0	113.7	S234 S235 I246	S234-S238 WeakPolarHBondContact O-CB 3.19Å; S234-S238 PolarHBondContact O-N 2.9Å; S234-S238 PolarHBondContact O-OG 3.5Å; S235-S238 PolarHBondContact O-N 3Å; S238-I246 WeakPolarHBondContact OG-CD1 3.34Å
239	T	93.4	Very high	94.1	Very high	98 Å²	98	68.3 Å²	68.3	60%	0.601	35%	0.351	S	S	*	.	H	α-helix	trans	-90.7	-29.7	-176.4	55.6	0	0	0	0	114	S235 I236 Q237	S235-T239 WeakPolarHBondContact O-CG2 3.39Å; S235-T239 PolarHBondContact O-N 2.79Å; S235-T239 PolarHBondContact O-OG1 3.38Å; S235-T239 VanDerWaalsContact O-OG1 3.07Å; I236-T239 PolarHBondContact O-N 3.45Å; I236-T239 PolarHBondContact O-OG1 3.16Å; Q237-T239 VanDerWaalsContact C-N 3.31Å; Q237-T239 PolarHBondContact O-N 3.48Å
240	F	94.2	Very high	94.1	Very high	176 Å²	176	68.2 Å²	68.2	77%	0.772	35%	0.351	S	S	*	.	H	α-helix	trans	-119.4	-17	-170.9	-61.1	-71.7	0	0	0	115	I236	I236-F240 HydrophobicContact CG2-CD2 4.05Å; I236-F240 WeakPolarHBondContact O-CB 3.39Å; I236-F240 WeakPolarHBondContact O-CD2 3.21Å; I236-F240 PolarHBondContact O-N 3.45Å
241	S	93.9	Very high	94.1	Very high	53 Å²	53	68.1 Å²	68.1	37%	0.371	35%	0.351	S	S	.	.			trans	-89.2	142.2	179.5	-171.4	0	0	0	0	111.6	Q237 N243	Q237-S241 WeakPolarHBondContact O-CA 3.36Å; Q237-S241 WeakPolarHBondContact O-CB 3.24Å; Q237-S241 PolarHBondContact O-N 2.91Å; S241-N243 VanDerWaalsContact C-N 3.32Å; S241-N243 PolarHBondContact OG-N 3.47Å; S241-N243 PolarHBondContact OG-O 3.15Å
242	I	92.4	Very high	94	Very high	176 Å²	176	67.1 Å²	67.1	90%	0.903	35%	0.346	S	S	*	.	S	Bend	trans	-67.1	-36.8	172.7	-60.4	176.1	0	0	0	110.9
243	N	92.9	Very high	94.1	Very high	136 Å²	136	60.5 Å²	60.5	73%	0.727	32%	0.321	S	S	*	.	S	Bend	trans	-117.6	92.6	173.6	-169.7	14.1	0	0	0	108	S241 E245	S241-N243 VanDerWaalsContact C-N 3.32Å; S241-N243 PolarHBondContact OG-N 3.47Å; S241-N243 PolarHBondContact OG-O 3.15Å; N243-E245 PolarHBondContact O-N 3.48Å
244	P	88.2	Confident	94.2	Very high	61 Å²	61	58.6 Å²	58.6	40%	0.396	32%	0.315	S	S	.	.			trans	-72.8	114.8	-173.2	29.6	-34.8	0	0	0	110.2	Q237	Q237-P244 WeakPolarHBondContact O-CB 3.18Å
245	E	90.1	Very high	94.4	Very high	106 Å²	106	58.3 Å²	58.3	50%	0.495	31%	0.312	S	S	.	.			trans	-88.4	118.6	171.7	-162.5	172.2	-160.4	0	0	108.8	H222 Q237 N243	H222-E245 IonicContact CE1-OE1 3.79Å; H222-E245 IonicContact ND1-OE1 2.77Å; Q237-E245 PolarHBondContact OE1-O 3.38Å; N243-E245 PolarHBondContact O-N 3.48Å
246	I	92.9	Very high	94.6	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.205	30%	0.298	C	S	.	.			trans	-86.4	128.4	174.2	-55.5	-56.8	0	0	0	107.8	S234 S238 C248 R652	S234-I246 WeakPolarHBondContact OG-CD1 3.41Å; S234-I246 WeakPolarHBondContact OG-CG2 3.21Å; S238-I246 WeakPolarHBondContact OG-CD1 3.34Å; I246-C248 WeakPolarHBondContact CG2-O 3.18Å; I246-R652 WeakPolarHBondContact O-CD 3.28Å
247	V	94.9	Very high	94.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.024	28%	0.281	C	S	.	.			trans	-95.7	-35.3	-169.4	-176.4	0	0	0	0	112.1	H222 A223 R652	H222-V247 HydrophobicContact CB-CG1 4.06Å; H222-V247 WeakPolarHBondContact O-CG1 3.47Å; A223-V247 HydrophobicContact CB-CG1 3.83Å; V247-R652 PolarHBondContact O-N 2.98Å
248	C	94.6	Very high	94.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.9	174.1	52.7	0	0	0	0	109.6	L54 A223 C230 I246 E650	L54-C248 HydrophobicContact CD1-CB 4.41Å; A223-C248 HydrophobicContact CB-CB 4.13Å; C230-C248 HydrophobicContact CB-CB 4.17Å; C230-C248 WeakPolarHBondContact CB-SG 3.15Å; C230-C248 WeakPolarHBondContact SG-CB 3.47Å; C230-C248 PolarHBondContact SG-N 3.47Å; C230-C248 VanDerWaalsContact SG-N 3.38Å; C230-C248 CovalentContact SG-SG 2Å; C230-C248 PolarHBondContact SG-SG 2.64Å; I246-C248 WeakPolarHBondContact CG2-O 3.18Å; C248-E650 VanDerWaalsContact CA-O 3.23Å; C248-E650 WeakPolarHBondContact CA-O 3.12Å; C248-E650 WeakPolarHBondContact CB-O 3.35Å
249	D	95.7	Very high	95.2	Very high	26 Å²	26	48.2 Å²	48.2	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.8	174	-60.1	-77.3	0	0	0	111.3	L251 V557 T649 E650 R652	D249-L251 PolarHBondContact O-N 3.31Å; D249-V557 HydrophobicContact CB-CB 4.16Å; D249-V557 HydrophobicContact CB-CG1 3.3Å; D249-V557 HydrophobicContact CB-CG2 3.71Å; D249-V557 VanDerWaalsContact CG-CG1 3.49Å; D249-T649 CarbonylContact O-C 3.46Å; D249-T649 VanDerWaalsContact O-CA 3.24Å; D249-T649 WeakPolarHBondContact O-CA 3.02Å; D249-T649 VanDerWaalsContact O-CB 3.25Å; D249-T649 WeakPolarHBondContact O-CB 3.13Å; D249-E650 PolarHBondContact N-O 3.45Å; D249-E650 PolarHBondContact O-N 3.33Å; D249-R652 IonicContact OD1-CZ 3.59Å; D249-R652 IonicContact OD1-NE 3.44Å; D249-R652 PolarHBondContact OD1-NE 2.89Å; D249-R652 IonicContact OD1-NH2 2.85Å; D249-R652 PolarHBondContact OD1-NH2 2.96Å; D249-R652 WeakPolarHBondContact OD2-CG 3.44Å; D249-R652 IonicContact OD2-CZ 3.48Å; D249-R652 IonicContact OD2-NE 3.39Å; D249-R652 PolarHBondContact OD2-NE 3.37Å; D249-R652 IonicContact OD2-NH2 2.73Å; D249-R652 PolarHBondContact OD2-NH2 3.38Å
250	P	96.6	Very high	95.3	Very high	28 Å²	28	43.9 Å²	43.9	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	131.9	168	-21.8	33.8	0	0	0	112.3	M231 S252 L631 F635	M231-P250 HydrophobicContact CE-CG 4.11Å; M231-P250 HydrophobicContact SD-CG 4.25Å; P250-S252 PolarHBondContact O-N 3.07Å; P250-S252 PolarHBondContact O-OG 3.43Å; P250-L631 HydrophobicContact CB-CD1 3.58Å; P250-L631 HydrophobicContact CG-CD1 4.41Å; P250-F635 HydrophobicContact CB-CD1 4.08Å; P250-F635 HydrophobicContact CB-CD2 3.95Å; P250-F635 HydrophobicContact CB-CE1 4.1Å; P250-F635 HydrophobicContact CB-CE2 3.98Å; P250-F635 HydrophobicContact CB-CG 4.01Å; P250-F635 HydrophobicContact CB-CZ 4.05Å; P250-F635 HydrophobicContact CG-CD1 3.83Å; P250-F635 HydrophobicContact CG-CE1 4.05Å; P250-F635 HydrophobicContact CG-CG 4.1Å; P250-F635 HydrophobicContact CG-CZ 4.5Å
251	L	96.4	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.			trans	-65.4	118.6	166.6	-71.5	-173.7	0	0	0	108.7	L53 D249 F335 I338 V557 W648 E650	L53-L251 HydrophobicContact CD2-CD1 4.01Å; D249-L251 PolarHBondContact O-N 3.31Å; L251-F335 HydrophobicContact CD1-CD1 3.97Å; L251-F335 HydrophobicContact CD1-CD2 3.91Å; L251-F335 HydrophobicContact CD1-CE1 4Å; L251-F335 HydrophobicContact CD1-CE2 3.96Å; L251-F335 HydrophobicContact CD1-CG 3.93Å; L251-F335 HydrophobicContact CD1-CZ 4.01Å; L251-I338 HydrophobicContact CB-CD1 3.9Å; L251-V557 HydrophobicContact CD2-CG2 4.29Å; L251-W648 HydrophobicContact CD1-CB 3.83Å; L251-W648 HydrophobicContact CG-CB 4.38Å; L251-W648 PolarHBondContact N-O 3.23Å; L251-W648 VanDerWaalsContact N-O 3.16Å; L251-E650 HydrophobicContact CD2-CB 3.71Å; L251-E650 WeakPolarHBondContact CD2-OE2 3.47Å; L251-E650 HydrophobicContact CG-CB 4.4Å
252	S	95.9	Very high	95.5	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	146.4	-176.3	55.3	0	0	0	0	112.5	P250 S559 R629 A630	P250-S252 PolarHBondContact O-N 3.07Å; P250-S252 PolarHBondContact O-OG 3.43Å; S252-S559 WeakPolarHBondContact O-CB 3.48Å; S252-R629 PolarHBondContact OG-NH2 2.88Å; S252-A630 VanDerWaalsContact CA-O 3.24Å; S252-A630 WeakPolarHBondContact CA-O 3.3Å; S252-A630 WeakPolarHBondContact CB-O 3.48Å
253	D	96.7	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-142.3	173.9	-163.8	-7.3	0	0	0	109.6	Q331 I555 P560 T561 T564 R629 A630	D253-Q331 HydrophobicContact CB-CB 4.17Å; D253-Q331 HydrophobicContact CB-CG 4.19Å; D253-I555 HydrophobicContact CB-CD1 4.22Å; D253-I555 HydrophobicContact CB-CG1 4.07Å; D253-P560 WeakPolarHBondContact OD1-CA 3.48Å; D253-T561 PolarHBondContact OD1-N 3.4Å; D253-T561 VanDerWaalsContact OD2-CB 3.31Å; D253-T561 WeakPolarHBondContact OD2-CB 3.47Å; D253-T561 VanDerWaalsContact OD2-CG2 3.23Å; D253-T561 WeakPolarHBondContact OD2-CG2 3.12Å; D253-T561 PolarHBondContact OD2-N 3.46Å; D253-T561 VanDerWaalsContact OD2-N 3.13Å; D253-T561 PolarHBondContact OD2-OG1 2.97Å; D253-T564 PolarHBondContact OD2-OG1 3.33Å; D253-R629 WeakPolarHBondContact O-CD 3.28Å; D253-R629 PolarHBondContact O-NH1 3.11Å; D253-R629 VanDerWaalsContact O-NH1 3.11Å; D253-A630 PolarHBondContact N-O 3.35Å; D253-A630 WeakPolarHBondContact O-CA 3.46Å; D253-A630 PolarHBondContact O-N 3.12Å
254	Y	98.3	Very high	95.5	Very high	71 Å²	71	26.9 Å²	26.9	28%	0.278	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135	174	-66.4	-98.8	0	0	0	109.9	Q331 P560 T564 L627 A628 R629	Y254-Q331 WeakPolarHBondContact O-CG 3.19Å; Y254-P560 HydrophobicContact CD2-CB 4.12Å; Y254-P560 HydrophobicContact CD2-CG 3.75Å; Y254-P560 HydrophobicContact CE2-CG 3.84Å; Y254-T564 WeakPolarHBondContact O-CG2 3.29Å; Y254-L627 HydrophobicContact CD1-CB 3.91Å; Y254-L627 HydrophobicContact CG-CB 4.19Å; Y254-L627 HydrophobicContact CG-CD1 4.36Å; Y254-A628 CarbonylContact C-O 3.58Å; Y254-A628 WeakPolarHBondContact CA-O 3.21Å; Y254-R629 HydrophobicContact CD1-CB 4.19Å; Y254-R629 HydrophobicContact CE1-CB 4.01Å; Y254-R629 HydrophobicContact CE1-CG 4.48Å
255	N	98.4	Very high	95.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.8	163.1	-60.2	-33.9	0	0	0	108.6	F329 F330 Q331 G339 M343 L627 A628 A630	N255-F329 WeakPolarHBondContact CA-O 3.49Å; N255-F330 HydrophobicContact CB-CD1 4.48Å; N255-F330 WeakPolarHBondContact OD1-CA 3.2Å; N255-Q331 PolarHBondContact OD1-N 2.89Å; N255-G339 PolarHBondContact ND2-O 2.91Å; N255-G339 WeakPolarHBondContact OD1-CA 3.27Å; N255-M343 HydrophobicContact CB-CE 4.4Å; N255-L627 CarbonylContact O-C 3.15Å; N255-L627 WeakPolarHBondContact O-CA 3.31Å; N255-A628 HydrophobicContact CB-CB 4.46Å; N255-A628 PolarHBondContact N-O 3.21Å; N255-A628 PolarHBondContact O-N 2.88Å; N255-A630 WeakPolarHBondContact OD1-CB 3.17Å
256	V	98.6	Very high	95.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.2	169.1	-175	0	0	0	0	107.7	L282 V328 F329 T564 V567 Q568 L571 L627	V256-L282 HydrophobicContact CG2-CD2 4.18Å; V256-V328 WeakPolarHBondContact O-CA 3.29Å; V256-F329 HydrophobicContact CB-CB 4.2Å; V256-F329 HydrophobicContact CB-CD2 4.21Å; V256-F329 HydrophobicContact CG1-CD2 4.37Å; V256-F329 PolarHBondContact N-O 2.96Å; V256-F329 VanDerWaalsContact N-O 3.1Å; V256-F329 PolarHBondContact O-N 2.67Å; V256-T564 HydrophobicContact CG2-CG2 4.04Å; V256-V567 HydrophobicContact CB-CG1 4.19Å; V256-V567 HydrophobicContact CG1-CG1 4.22Å; V256-V567 HydrophobicContact CG2-CB 4.39Å; V256-V567 HydrophobicContact CG2-CG1 4.12Å; V256-Q568 HydrophobicContact CG1-CB 4.13Å; V256-Q568 HydrophobicContact CG1-CG 4.46Å; V256-Q568 HydrophobicContact CG2-CB 4.34Å; V256-L571 HydrophobicContact CG1-CD2 3.87Å; V256-L627 HydrophobicContact CB-CD2 4.49Å; V256-L627 HydrophobicContact CG2-CD2 3.81Å
257	W	98.3	Very high	95.3	Very high	19 Å²	19	25.8 Å²	25.8	7%	0.072	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.3	179.8	68.1	-43.4	0	0	0	111	M326 F327 V328 F352 P353 A625 R626	W257-M326 HydrophobicContact CE3-SD 3.96Å; W257-M326 HydrophobicContact CZ3-SD 4.46Å; W257-F327 CarbonylContact C-O 3.57Å; W257-F327 WeakPolarHBondContact CA-O 3.29Å; W257-V328 HydrophobicContact CB-CB 4.44Å; W257-V328 HydrophobicContact CB-CG2 4.33Å; W257-F352 AromaticContact CD2-CE2 3.87Å; W257-F352 HydrophobicContact CD2-CE2 3.87Å; W257-F352 AromaticContact CD2-CZ 3.7Å; W257-F352 HydrophobicContact CD2-CZ 3.7Å; W257-F352 AromaticContact CE2-CE2 3.88Å; W257-F352 AromaticContact CE3-CE1 3.78Å; W257-F352 HydrophobicContact CE3-CE1 3.78Å; W257-F352 AromaticContact CE3-CE2 3.53Å; W257-F352 HydrophobicContact CE3-CE2 3.53Å; W257-F352 AromaticContact CE3-CZ 2.98Å; W257-F352 HydrophobicContact CE3-CZ 2.98Å; W257-F352 HydrophobicContact CH2-CD1 4.5Å; W257-F352 AromaticContact CH2-CD2 3.75Å; W257-F352 HydrophobicContact CH2-CD2 3.75Å; W257-F352 HydrophobicContact CH2-CE1 4.02Å; W257-F352 AromaticContact CH2-CE2 3.16Å; W257-F352 HydrophobicContact CH2-CE2 3.16Å; W257-F352 HydrophobicContact CH2-CG 4.42Å; W257-F352 AromaticContact CH2-CZ 3.39Å; W257-F352 HydrophobicContact CH2-CZ 3.39Å; W257-F352 HydrophobicContact CZ2-CD2 4.28Å; W257-F352 AromaticContact CZ2-CE2 3.57Å; W257-F352 HydrophobicContact CZ2-CE2 3.57Å; W257-F352 HydrophobicContact CZ2-CZ 4.08Å; W257-F352 HydrophobicContact CZ3-CD1 4.13Å; W257-F352 HydrophobicContact CZ3-CD2 4.03Å; W257-F352 AromaticContact CZ3-CE1 3.31Å; W257-F352 HydrophobicContact CZ3-CE1 3.31Å; W257-F352 AromaticContact CZ3-CE2 3.17Å; W257-F352 HydrophobicContact CZ3-CE2 3.17Å; W257-F352 HydrophobicContact CZ3-CG 4.48Å; W257-F352 AromaticContact CZ3-CZ 2.8Å; W257-F352 HydrophobicContact CZ3-CZ 2.8Å; W257-P353 HydrophobicContact CH2-CG 3.33Å; W257-P353 HydrophobicContact CZ2-CG 4.49Å; W257-P353 HydrophobicContact CZ3-CG 3.77Å; W257-A625 CarbonylContact O-C 3.58Å; W257-A625 WeakPolarHBondContact O-CA 3.45Å; W257-R626 VanDerWaalsContact CD1-C 3.42Å; W257-R626 PolarHBondContact N-O 3.31Å; W257-R626 VanDerWaalsContact N-O 3.11Å; W257-R626 PolarHBondContact O-N 3.44Å
258	S	98.2	Very high	95.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.3	179.3	179	0	0	0	0	110.4	M326 F327 L571 T624	S258-M326 CarbonylContact O-C 3.59Å; S258-M326 WeakPolarHBondContact O-CA 3.41Å; S258-F327 PolarHBondContact N-O 3.44Å; S258-F327 PolarHBondContact O-N 3.06Å; S258-L571 VanDerWaalsContact CB-CD2 3.48Å; S258-T624 WeakPolarHBondContact CA-O 3.45Å; S258-T624 PolarHBondContact OG-OG1 3.33Å
259	M	97.8	Very high	95.1	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.034	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.2	174	-59.9	-66.4	-58.9	0	0	109.2	K261 I263 V275 N324 M326 V354 T624	M259-K261 WeakPolarHBondContact CB-O 3.29Å; M259-I263 HydrophobicContact CE-CD1 4.16Å; M259-I263 HydrophobicContact CE-CG2 4Å; M259-I263 HydrophobicContact CG-CD1 3.86Å; M259-I263 HydrophobicContact CG-CG1 3.99Å; M259-I263 HydrophobicContact CG-CG2 4.47Å; M259-I263 HydrophobicContact SD-CD1 4.1Å; M259-V275 HydrophobicContact CE-CG1 4.1Å; M259-V275 HydrophobicContact CE-CG2 4.32Å; M259-N324 HydrophobicContact CE-CB 4.16Å; M259-N324 WeakPolarHBondContact CE-ND2 3.5Å; M259-M326 HydrophobicContact CE-CB 4.13Å; M259-M326 HydrophobicContact SD-CB 3.5Å; M259-M326 WeakPolarHBondContact SD-CB 3.5Å; M259-M326 HydrophobicContact SD-CG 3.47Å; M259-M326 WeakPolarHBondContact SD-CG 3.1Å; M259-M326 HydrophobicContact SD-SD 3.95Å; M259-V354 HydrophobicContact CE-CG2 4.49Å; M259-V354 HydrophobicContact SD-CG2 4.29Å; M259-T624 WeakPolarHBondContact O-CB 3.48Å; M259-T624 PolarHBondContact O-OG1 2.83Å
260	L	97.1	Very high	95.1	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	20%	0.201	C	C	.	.	S	Bend	trans	-61.2	-52	177.1	178.2	68.8	0	0	0	111.2	L312 V318 L321 V325	L260-L312 HydrophobicContact CD1-CD2 4.21Å; L260-L312 HydrophobicContact CD1-CG 3.95Å; L260-L312 HydrophobicContact CD2-CD2 3.79Å; L260-L312 HydrophobicContact CD2-CG 3.96Å; L260-V318 HydrophobicContact CD1-CG1 3.74Å; L260-V318 HydrophobicContact CD1-CG2 4.2Å; L260-V318 HydrophobicContact CD2-CG1 3.97Å; L260-V318 HydrophobicContact CG-CG1 3.54Å; L260-L321 HydrophobicContact CD2-CD1 3.91Å; L260-V325 HydrophobicContact CB-CB 3.98Å; L260-V325 HydrophobicContact CD2-CB 4.12Å; L260-V325 HydrophobicContact CD2-CG2 4.01Å; L260-V325 PolarHBondContact N-O 3.32Å
261	K	95.6	Very high	94.8	Very high	42 Å²	42	38.5 Å²	38.5	18%	0.183	21%	0.214	C	C	.	.	S	Bend	trans	-95.7	133.9	166.1	-61.2	176.5	-72.6	179.1	0	108.9	M259 V318 L321 R323 N324	M259-K261 WeakPolarHBondContact CB-O 3.29Å; K261-V318 WeakPolarHBondContact CD-O 3.37Å; K261-V318 HydrophobicContact CG-CG1 4.34Å; K261-V318 WeakPolarHBondContact CG-O 3.4Å; K261-L321 PolarHBondContact NZ-O 3.04Å; K261-R323 VanDerWaalsContact CE-O 3.27Å; K261-R323 WeakPolarHBondContact CE-O 3.17Å; K261-R323 PolarHBondContact NZ-O 3.39Å; K261-N324 WeakPolarHBondContact CB-OD1 3.42Å; K261-N324 PolarHBondContact N-OD1 3.14Å; K261-N324 PolarHBondContact O-ND2 3.09Å
262	P	95.6	Very high	94.7	Very high	40 Å²	40	45.4 Å²	45.4	26%	0.26	25%	0.251	S	S	.	.			trans	-62.8	146.7	-179.9	34.6	-43.1	0	0	0	111	L599 Y600 T624	P262-L599 HydrophobicContact CB-CB 4.1Å; P262-L599 HydrophobicContact CB-CD2 3.85Å; P262-L599 HydrophobicContact CG-CD2 3.89Å; P262-Y600 HydrophobicContact CB-CD1 4.25Å; P262-Y600 HydrophobicContact CB-CE1 3.69Å; P262-Y600 HydrophobicContact CB-CE2 4.14Å; P262-Y600 HydrophobicContact CG-CE1 4.01Å; P262-Y600 HydrophobicContact CG-CE2 4.2Å; P262-Y600 WeakPolarHBondContact CG-OH 3.44Å; P262-T624 HydrophobicContact CB-CG2 3.92Å
263	I	94.6	Very high	94.7	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.082	27%	0.268	C	S	.	.			trans	-126.3	159	177.4	66.4	175.5	0	0	0	109.9	M259 T265 L269 P353 V354	M259-I263 HydrophobicContact CE-CD1 4.16Å; M259-I263 HydrophobicContact CE-CG2 4Å; M259-I263 HydrophobicContact CG-CD1 3.86Å; M259-I263 HydrophobicContact CG-CG1 3.99Å; M259-I263 HydrophobicContact CG-CG2 4.47Å; M259-I263 HydrophobicContact SD-CD1 4.1Å; I263-T265 HydrophobicContact CG1-CG2 4.42Å; I263-T265 PolarHBondContact O-N 3.25Å; I263-L269 HydrophobicContact CB-CD2 4Å; I263-L269 HydrophobicContact CD1-CD1 4.31Å; I263-L269 HydrophobicContact CD1-CD2 4.35Å; I263-L269 HydrophobicContact CD1-CG 4.4Å; I263-L269 HydrophobicContact CG2-CD2 3.99Å; I263-P353 HydrophobicContact CD1-CB 4.17Å; I263-P353 HydrophobicContact CD1-CG 4.13Å; I263-V354 HydrophobicContact CD1-CG2 4.07Å
264	N	91.8	Very high	94.7	Very high	85 Å²	85	53.2 Å²	53.2	46%	0.455	29%	0.286	S	S	.	.			trans	-73.5	118.8	169.4	-172.1	-15.5	0	0	0	109.2	T266	N264-T266 WeakPolarHBondContact OD1-CB 3.34Å; N264-T266 PolarHBondContact OD1-N 3.11Å; N264-T266 PolarHBondContact OD1-OG1 2.69Å
265	T	89.9	Confident	94.6	Very high	40 Å²	40	49.9 Å²	49.9	25%	0.245	27%	0.273	C	S	.	.	S	Bend	trans	-89.3	-8.1	-178.5	57.1	0	0	0	0	114.3	I263 D598 R626	I263-T265 HydrophobicContact CG1-CG2 4.42Å; I263-T265 PolarHBondContact O-N 3.25Å; T265-D598 PolarHBondContact OG1-O 2.88Å; T265-D598 VanDerWaalsContact OG1-O 3.12Å; T265-R626 VanDerWaalsContact CG2-CZ 3.45Å; T265-R626 PolarHBondContact OG1-NH1 3.17Å
266	T	88.4	Confident	94.6	Very high	106 Å²	106	49.9 Å²	49.9	65%	0.65	27%	0.272	S	S	*	.	S	Bend	trans	-79.1	-23.6	-177.2	-51.2	0	0	0	0	112.1	N264	N264-T266 WeakPolarHBondContact OD1-CB 3.34Å; N264-T266 PolarHBondContact OD1-N 3.11Å; N264-T266 PolarHBondContact OD1-OG1 2.69Å
267	G	87.6	Confident	94.6	Very high	38 Å²	38	49.9 Å²	49.9	39%	0.392	27%	0.272	S	S	.	.	S	Bend	trans	-130.7	-177.8	178.2	0	0	0	0	0	112.3	P353	G267-P353 WeakPolarHBondContact O-CA 3.45Å; G267-P353 VanDerWaalsContact O-CB 3.25Å; G267-P353 WeakPolarHBondContact O-CB 3.3Å
268	T	92.9	Very high	94.6	Very high	84 Å²	84	49 Å²	49	52%	0.515	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-85.5	148.2	176.4	57.9	0	0	0	0	111.2	P353 Q355	T268-P353 CarbonylContact C-O 3.48Å; T268-P353 WeakPolarHBondContact CA-O 3.26Å; T268-Q355 HydrophobicContact CG2-CG 4.47Å
269	L	93.8	Very high	94.7	Very high	24 Å²	24	48.9 Å²	48.9	13%	0.126	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-61.9	156.2	170.8	-72.3	-178.1	0	0	0	110.6	I263 V275 P353 V354	I263-L269 HydrophobicContact CB-CD2 4Å; I263-L269 HydrophobicContact CD1-CD1 4.31Å; I263-L269 HydrophobicContact CD1-CD2 4.35Å; I263-L269 HydrophobicContact CD1-CG 4.4Å; I263-L269 HydrophobicContact CG2-CD2 3.99Å; L269-V275 HydrophobicContact CD1-CG2 3.98Å; L269-P353 PolarHBondContact N-O 3.15Å; L269-V354 HydrophobicContact CD1-CB 4.39Å; L269-V354 HydrophobicContact CD1-CG1 4.47Å; L269-V354 HydrophobicContact CD1-CG2 3.87Å
270	K	93.8	Very high	94.7	Very high	148 Å²	148	48.5 Å²	48.5	64%	0.643	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-69.2	145.9	175.9	-63.7	177.3	-177.6	175.9	0	109.3	D272 D273 N358	K270-D272 PolarHBondContact O-N 3.35Å; K270-D273 WeakPolarHBondContact O-CB 3.43Å; K270-D273 PolarHBondContact O-N 3.23Å; K270-N358 PolarHBondContact O-ND2 2.92Å
271	P	91.6	Very high	94.8	Very high	71 Å²	71	49.5 Å²	49.5	46%	0.461	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.1	-179.9	-26.9	35.5	0	0	0	114.5	D273	P271-D273 VanDerWaalsContact C-N 3.32Å
272	D	93.5	Very high	94.9	Very high	145 Å²	145	47.5 Å²	47.5	78%	0.775	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.4	178.8	-62.4	-34.3	0	0	0	113	K270	K270-D272 PolarHBondContact O-N 3.35Å
273	D	95.3	Very high	95	Very high	76 Å²	76	45.6 Å²	45.6	41%	0.406	25%	0.249	S	C	.	.			trans	-74.6	129.2	178.2	-68.9	-30.2	0	0	0	109.8	K270 P271 N358	K270-D273 WeakPolarHBondContact O-CB 3.43Å; K270-D273 PolarHBondContact O-N 3.23Å; P271-D273 VanDerWaalsContact C-N 3.32Å; D273-N358 WeakPolarHBondContact O-CB 3.09Å; D273-N358 PolarHBondContact O-ND2 2.92Å
274	R	96.6	Very high	95.1	Very high	96 Å²	96	44.8 Å²	44.8	36%	0.362	25%	0.245	S	C	.	.			trans	-111.4	139.2	-178.3	-62.6	-62.3	176.4	173.2	-9.8	111.8	R323 N324 E357 N358 D360	R274-R323 HydrophobicContact CB-CG 3.92Å; R274-R323 WeakPolarHBondContact O-CB 3.15Å; R274-N324 PolarHBondContact O-N 3.29Å; R274-N324 VanDerWaalsContact O-N 3.09Å; R274-E357 PolarHBondContact NH1-O 2.97Å; R274-N358 CarbonylContact C-O 3.58Å; R274-N358 WeakPolarHBondContact CA-O 3.28Å; R274-D360 HydrophobicContact CB-CB 4.09Å
275	V	97.6	Very high	95.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.1	-176.6	-177.7	0	0	0	0	110	M259 L269 V277 N324 M326 V354 N358 D360	M259-V275 HydrophobicContact CE-CG1 4.1Å; M259-V275 HydrophobicContact CE-CG2 4.32Å; L269-V275 HydrophobicContact CD1-CG2 3.98Å; V275-V277 HydrophobicContact CG1-CG2 4.49Å; V275-N324 CarbonylContact C-O 3.52Å; V275-N324 VanDerWaalsContact CA-O 3.32Å; V275-N324 WeakPolarHBondContact CA-O 3.45Å; V275-N324 HydrophobicContact CG2-CB 4.3Å; V275-M326 HydrophobicContact CG1-CB 3.61Å; V275-V354 HydrophobicContact CB-CG1 4.45Å; V275-V354 HydrophobicContact CG2-CG1 4.3Å; V275-N358 HydrophobicContact CG2-CB 4.42Å; V275-N358 PolarHBondContact N-O 2.91Å; V275-D360 PolarHBondContact O-N 2.85Å
276	V	98.4	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.5	168.2	-177.9	0	0	0	0	108	N324 V325 M326 S361 L498 L501	V276-N324 PolarHBondContact N-O 2.73Å; V276-V325 HydrophobicContact CB-CG2 4.42Å; V276-V325 CarbonylContact O-C 3.55Å; V276-V325 WeakPolarHBondContact O-CA 3.33Å; V276-M326 PolarHBondContact O-N 2.67Å; V276-S361 WeakPolarHBondContact CA-O 3.41Å; V276-L498 HydrophobicContact CG1-CD2 3.73Å; V276-L501 HydrophobicContact CG1-CB 4.18Å; V276-L501 HydrophobicContact CG1-CD1 4.09Å; V276-L501 HydrophobicContact CG2-CB 3.91Å
277	V	98.7	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.3	-178.4	-176.2	0	0	0	0	109.6	V275 M326 V328 V359 S361 F362 V363	V275-V277 HydrophobicContact CG1-CG2 4.49Å; V277-M326 WeakPolarHBondContact CA-O 3.3Å; V277-M326 HydrophobicContact CB-CE 4.41Å; V277-M326 HydrophobicContact CG1-CE 3.78Å; V277-M326 HydrophobicContact CG2-CE 3.79Å; V277-V328 HydrophobicContact CG1-CG1 3.79Å; V277-V359 HydrophobicContact CG2-CG1 4Å; V277-V359 HydrophobicContact CG2-CG2 4.02Å; V277-S361 PolarHBondContact N-O 3.14Å; V277-F362 HydrophobicContact CB-CD2 3.63Å; V277-F362 HydrophobicContact CB-CE2 4.03Å; V277-F362 HydrophobicContact CB-CG 4.36Å; V277-F362 HydrophobicContact CG1-CD2 3.73Å; V277-F362 HydrophobicContact CG1-CE2 3.56Å; V277-F362 HydrophobicContact CG1-CZ 4.38Å; V277-F362 HydrophobicContact CG2-CD2 4.33Å; V277-F362 CarbonylContact O-C 3.54Å; V277-F362 WeakPolarHBondContact O-CA 3.15Å; V277-V363 PolarHBondContact O-N 3.21Å
278	A	98.8	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.3	165.6	0	0	0	0	0	108.3	Q305 M326 F327 V328 V363 L498	A278-Q305 PolarHBondContact O-NE2 3.24Å; A278-M326 PolarHBondContact N-O 3.47Å; A278-F327 HydrophobicContact CB-CD1 3.73Å; A278-F327 HydrophobicContact CB-CE1 4.03Å; A278-F327 CarbonylContact O-C 3.56Å; A278-F327 WeakPolarHBondContact O-CA 3.43Å; A278-V328 PolarHBondContact O-N 3.16Å; A278-V363 CarbonylContact C-O 3.58Å; A278-V363 VanDerWaalsContact CA-O 3.29Å; A278-V363 WeakPolarHBondContact CA-O 3.43Å; A278-L498 HydrophobicContact CB-CD1 3.82Å; A278-L498 HydrophobicContact CB-CD2 4.09Å
279	A	98.7	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.5	-174.9	0	0	0	0	0	112.3	Q305 V328 F330 F362 V363 E364 L365	A279-Q305 PolarHBondContact O-OE1 3.41Å; A279-V328 WeakPolarHBondContact CA-O 3.35Å; A279-V328 HydrophobicContact CB-CG1 3.76Å; A279-F330 HydrophobicContact CB-CD2 4.2Å; A279-F330 HydrophobicContact CB-CE2 3.7Å; A279-F362 HydrophobicContact CB-CE1 3.77Å; A279-F362 HydrophobicContact CB-CE2 4.25Å; A279-F362 HydrophobicContact CB-CZ 3.46Å; A279-F362 VanDerWaalsContact CB-CZ 3.46Å; A279-V363 PolarHBondContact N-O 3.03Å; A279-E364 HydrophobicContact CB-CG 4.24Å; A279-E364 VanDerWaalsContact O-CA 3.23Å; A279-E364 WeakPolarHBondContact O-CA 3.24Å; A279-E364 WeakPolarHBondContact O-CG 3.48Å; A279-L365 PolarHBondContact O-N 3.32Å; A279-L365 VanDerWaalsContact O-N 3.07Å
280	T	98.7	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.4	165.5	44.5	0	0	0	0	110.5	S301 Q305 V328 F329 F330 L365	T280-S301 WeakPolarHBondContact CG2-O 3.38Å; T280-Q305 HydrophobicContact CG2-CB 3.96Å; T280-Q305 PolarHBondContact OG1-OE1 2.92Å; T280-V328 PolarHBondContact N-O 3.1Å; T280-V328 VanDerWaalsContact N-O 3.13Å; T280-F329 CarbonylContact O-C 3.56Å; T280-F329 WeakPolarHBondContact O-CA 3.48Å; T280-F329 WeakPolarHBondContact OG1-CD1 3.39Å; T280-F330 PolarHBondContact O-N 2.92Å; T280-L365 HydrophobicContact CG2-CB 3.63Å
281	R	98.4	Very high	96.7	Very high	27 Å²	27	30.4 Å²	30.4	10%	0.102	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	138.7	166	175.6	167.1	-176.7	-148.1	-49	111.3	D283 E333 T334 Y453	R281-D283 WeakPolarHBondContact CG-OD1 3.41Å; R281-D283 VanDerWaalsContact CZ-O 3.24Å; R281-D283 IonicContact CZ-OD1 3.6Å; R281-D283 PolarHBondContact NE-O 3.03Å; R281-D283 IonicContact NE-OD1 3.83Å; R281-D283 PolarHBondContact NE-OD1 3.37Å; R281-D283 PolarHBondContact NH2-O 3.26Å; R281-E333 HydrophobicContact CB-CB 4.22Å; R281-E333 HydrophobicContact CB-CG 4.15Å; R281-E333 HydrophobicContact CG-CB 3.71Å; R281-E333 HydrophobicContact CG-CG 4.04Å; R281-T334 VanDerWaalsContact CZ-CB 3.44Å; R281-T334 VanDerWaalsContact NH2-CB 3.28Å; R281-T334 PolarHBondContact NH2-OG1 3.5Å; R281-Y453 PolarHBondContact NH1-OH 3.42Å
282	L	98	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.			trans	-106.2	-17.5	-179.4	-171.4	53.2	0	0	0	114	V256 F302 F329 F330 Q331 T563 V567	V256-L282 HydrophobicContact CG2-CD2 4.18Å; L282-F302 HydrophobicContact CD1-CB 4.4Å; L282-F302 HydrophobicContact CD1-CD1 3.66Å; L282-F302 HydrophobicContact CD1-CD2 4.26Å; L282-F302 HydrophobicContact CD1-CE1 3.83Å; L282-F302 HydrophobicContact CD1-CE2 4.45Å; L282-F302 HydrophobicContact CD1-CG 3.89Å; L282-F302 HydrophobicContact CD1-CZ 4.23Å; L282-F329 HydrophobicContact CB-CB 4.35Å; L282-F329 HydrophobicContact CD2-CB 4.15Å; L282-F330 WeakPolarHBondContact CB-O 3.48Å; L282-F330 PolarHBondContact N-O 3.35Å; L282-Q331 HydrophobicContact CB-CG 4.32Å; L282-Q331 HydrophobicContact CD2-CG 3.95Å; L282-Q331 HydrophobicContact CG-CG 4.35Å; L282-T563 HydrophobicContact CD1-CG2 3.66Å; L282-T563 HydrophobicContact CD2-CG2 4.4Å; L282-T563 HydrophobicContact CG-CG2 3.86Å; L282-V567 HydrophobicContact CD1-CB 4.28Å; L282-V567 HydrophobicContact CD1-CG1 4.35Å; L282-V567 HydrophobicContact CD1-CG2 3.64Å; L282-V567 HydrophobicContact CD2-CB 4.37Å; L282-V567 HydrophobicContact CD2-CG1 4.4Å
283	D	97.7	Very high	97.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.096	C	C	.	.			trans	-108.8	159.8	-172.9	67.8	-36.7	0	0	0	114.4	R281 A298 G332 E333 T334 H553	R281-D283 WeakPolarHBondContact CG-OD1 3.41Å; R281-D283 VanDerWaalsContact CZ-O 3.24Å; R281-D283 IonicContact CZ-OD1 3.6Å; R281-D283 PolarHBondContact NE-O 3.03Å; R281-D283 IonicContact NE-OD1 3.83Å; R281-D283 PolarHBondContact NE-OD1 3.37Å; R281-D283 PolarHBondContact NH2-O 3.26Å; D283-A298 WeakPolarHBondContact O-CB 3.31Å; D283-G332 PolarHBondContact OD1-N 2.83Å; D283-G332 VanDerWaalsContact OD2-C 3.26Å; D283-G332 WeakPolarHBondContact OD2-CA 3.46Å; D283-G332 PolarHBondContact OD2-N 2.81Å; D283-E333 PolarHBondContact OD1-N 3.2Å; D283-E333 PolarHBondContact OD2-N 3.48Å; D283-T334 WeakPolarHBondContact OD2-CB 3.47Å; D283-T334 WeakPolarHBondContact OD2-CG2 3Å; D283-T334 PolarHBondContact OD2-N 3.09Å; D283-H553 CarbonylContact C-O 3.51Å; D283-H553 WeakPolarHBondContact CA-O 3.3Å; D283-H553 WeakPolarHBondContact CB-O 3.41Å
284	S	97.4	Very high	97.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.			trans	-140	179.2	164.2	84.4	0	0	0	0	110.9	A292 G294 H553 Y554	S284-A292 PolarHBondContact OG-O 3.25Å; S284-A292 VanDerWaalsContact OG-O 3.06Å; S284-G294 VanDerWaalsContact OG-CA 3.29Å; S284-G294 WeakPolarHBondContact OG-CA 3.4Å; S284-G294 PolarHBondContact OG-N 3.14Å; S284-H553 PolarHBondContact N-O 3.23Å; S284-H553 CarbonylContact O-C 3.54Å; S284-Y554 WeakPolarHBondContact O-CA 3.48Å
285	R	96.9	Very high	97.3	Very high	14 Å²	14	12.6 Å²	12.6	5%	0.053	6%	0.06	C	C	.	.			trans	-150.8	168.1	172.9	63.7	171.4	-69.3	-179.7	-0.6	109.2	A172 T334 F335 Q454 Y554	A172-R285 PolarHBondContact O-NH2 3.42Å; R285-T334 HydrophobicContact CB-CG2 4.1Å; R285-T334 HydrophobicContact CG-CG2 3.87Å; R285-F335 HydrophobicContact CB-CE2 4.47Å; R285-F335 HydrophobicContact CB-CZ 4.33Å; R285-Q454 HydrophobicContact CG-CB 4.22Å; R285-Q454 CarbonylContact O-C 3.59Å; R285-Q454 WeakPolarHBondContact O-CA 3.31Å; R285-Q454 WeakPolarHBondContact O-CB 3.16Å; R285-Q454 VanDerWaalsContact O-O 3.1Å; R285-Y554 HydrophobicContact CB-CD2 4.32Å
286	S	97.3	Very high	97.3	Very high	6 Å²	6	12.5 Å²	12.5	4%	0.042	6%	0.059	C	C	.	.			trans	-131.7	-163.3	162.4	82.9	0	0	0	0	110.9	F288 V291 Q454 I456	S286-F288 VanDerWaalsContact C-N 3.33Å; S286-F288 PolarHBondContact OG-N 2.73Å; S286-F288 PolarHBondContact OG-O 3.35Å; S286-F288 VanDerWaalsContact OG-O 3.11Å; S286-V291 WeakPolarHBondContact CB-O 3.26Å; S286-V291 PolarHBondContact OG-O 2.55Å; S286-Q454 WeakPolarHBondContact CA-O 3.35Å; S286-I456 WeakPolarHBondContact OG-CG2 3.46Å
287	F	97.6	Very high	97.3	Very high	13 Å²	13	12.9 Å²	12.9	6%	0.057	6%	0.062	C	C	.	.	S	Bend	trans	-69.1	-32.3	167.5	-173.5	-92.2	0	0	0	112.4	C50 F103 P136 L171 A172 F176 I180	C50-F287 HydrophobicContact CB-CD1 4.39Å; C50-F287 HydrophobicContact CB-CE1 3.74Å; C50-F287 HydrophobicContact CB-CZ 4.32Å; F103-F287 HydrophobicContact CE1-CD1 4.17Å; F103-F287 HydrophobicContact CE1-CD2 4.39Å; F103-F287 HydrophobicContact CE1-CE1 4.47Å; F103-F287 HydrophobicContact CE1-CG 4.13Å; F103-F287 AromaticContact CZ-CD1 3.88Å; F103-F287 HydrophobicContact CZ-CD1 3.88Å; F103-F287 HydrophobicContact CZ-CD2 4.2Å; F103-F287 AromaticContact CZ-CE1 3.73Å; F103-F287 HydrophobicContact CZ-CE1 3.73Å; F103-F287 HydrophobicContact CZ-CE2 4.08Å; F103-F287 HydrophobicContact CZ-CG 4.12Å; F103-F287 AromaticContact CZ-CZ 3.85Å; F103-F287 HydrophobicContact CZ-CZ 3.85Å; P136-F287 HydrophobicContact CB-CB 4.15Å; P136-F287 HydrophobicContact CG-CB 4.3Å; L171-F287 HydrophobicContact CD2-CD2 4.49Å; L171-F287 HydrophobicContact CD2-CE2 4.4Å; L171-F287 HydrophobicContact CG-CD2 4.29Å; L171-F287 HydrophobicContact CG-CE2 3.99Å; A172-F287 HydrophobicContact CB-CD2 4.26Å; F176-F287 HydrophobicContact CD2-CZ 4.23Å; F176-F287 AromaticContact CE2-CE2 3.9Å; F176-F287 HydrophobicContact CE2-CE2 3.9Å; F176-F287 AromaticContact CE2-CZ 3.94Å; F176-F287 HydrophobicContact CE2-CZ 3.94Å; I180-F287 HydrophobicContact CB-CE1 4.07Å; I180-F287 HydrophobicContact CD1-CE1 4.14Å; I180-F287 HydrophobicContact CD1-CZ 3.81Å; I180-F287 HydrophobicContact CG2-CE1 3.81Å
288	F	97.8	Very high	97.2	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.026	6%	0.062	C	C	.	.	S	Bend	trans	-103.3	141.8	-174.2	-61.6	-81.3	0	0	0	111.2	A48 V123 I180 L182 S286 V291 I456	A48-F288 HydrophobicContact CB-CB 4.05Å; A48-F288 VanDerWaalsContact O-CD1 3.28Å; A48-F288 WeakPolarHBondContact O-CD1 3.39Å; V123-F288 HydrophobicContact CB-CZ 4.2Å; V123-F288 HydrophobicContact CG2-CZ 4.09Å; I180-F288 HydrophobicContact CG2-CE1 3.9Å; I180-F288 HydrophobicContact CG2-CZ 4.16Å; L182-F288 HydrophobicContact CB-CB 4.44Å; L182-F288 HydrophobicContact CB-CD1 3.61Å; L182-F288 HydrophobicContact CB-CD2 3.85Å; L182-F288 HydrophobicContact CB-CE1 3.65Å; L182-F288 HydrophobicContact CB-CE2 3.89Å; L182-F288 HydrophobicContact CB-CG 3.69Å; L182-F288 HydrophobicContact CB-CZ 3.79Å; L182-F288 HydrophobicContact CD1-CD2 4.41Å; L182-F288 HydrophobicContact CD1-CE2 4.03Å; L182-F288 HydrophobicContact CD1-CZ 4.35Å; L182-F288 HydrophobicContact CD2-CD2 4.03Å; L182-F288 HydrophobicContact CD2-CE2 4.47Å; L182-F288 HydrophobicContact CD2-CG 4.29Å; L182-F288 HydrophobicContact CG-CD2 4.33Å; L182-F288 HydrophobicContact CG-CE2 4.36Å; S286-F288 VanDerWaalsContact C-N 3.33Å; S286-F288 PolarHBondContact OG-N 2.73Å; S286-F288 PolarHBondContact OG-O 3.35Å; S286-F288 VanDerWaalsContact OG-O 3.11Å; F288-V291 HydrophobicContact CB-CB 4.42Å; F288-V291 PolarHBondContact O-N 3.31Å; F288-I456 HydrophobicContact CD2-CG2 3.74Å; F288-I456 HydrophobicContact CE2-CD1 4.45Å; F288-I456 HydrophobicContact CE2-CG2 4.48Å
289	W	95.8	Very high	97.2	Very high	77 Å²	77	12.9 Å²	12.9	29%	0.292	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	138.3	-180	177	73.3	0	0	0	111.4	P49 V51 V291 Y554 E650 W653	P49-W289 HydrophobicContact CG-CB 4.28Å; P49-W289 HydrophobicContact CG-CE3 3.93Å; P49-W289 WeakPolarHBondContact O-CB 3.47Å; P49-W289 PolarHBondContact O-N 3.21Å; V51-W289 HydrophobicContact CB-CB 3.97Å; V51-W289 HydrophobicContact CB-CG 4.32Å; V51-W289 HydrophobicContact CG2-CB 3.34Å; V51-W289 HydrophobicContact CG2-CD2 4.2Å; V51-W289 HydrophobicContact CG2-CG 3.62Å; W289-V291 PolarHBondContact O-N 3.41Å; W289-V291 VanDerWaalsContact O-N 3.11Å; W289-Y554 AromaticContact CD1-CE1 3.83Å; W289-Y554 AromaticContact NE1-CE1 3.83Å; W289-E650 PolarHBondContact NE1-OE1 3.46Å; W289-W653 HydrophobicContact CD2-CH2 4.28Å; W289-W653 HydrophobicContact CD2-CZ2 4.12Å; W289-W653 AromaticContact CE2-CH2 3.68Å; W289-W653 AromaticContact CE2-CZ2 3.6Å; W289-W653 HydrophobicContact CE3-CZ2 4.39Å; W289-W653 AromaticContact CH2-CZ2 3.75Å; W289-W653 HydrophobicContact CH2-CZ2 3.75Å; W289-W653 AromaticContact CZ2-CH2 3.9Å; W289-W653 HydrophobicContact CZ2-CH2 3.9Å; W289-W653 AromaticContact CZ2-CZ2 3.43Å; W289-W653 HydrophobicContact CZ2-CZ2 3.43Å; W289-W653 VanDerWaalsContact CZ2-CZ2 3.43Å; W289-W653 HydrophobicContact CZ3-CZ2 4.21Å; W289-W653 AromaticContact NE1-CH2 3.64Å
290	N	90.4	Very high	97.2	Very high	86 Å²	86	12.9 Å²	12.9	46%	0.46	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	21.9	-179.6	-156.1	33.4	0	0	0	114.9	Q552	N290-Q552 WeakPolarHBondContact O-CG 3.4Å
291	V	96.1	Very high	97.2	Very high	20 Å²	20	13 Å²	13	12%	0.121	6%	0.062	C	C	.	.			trans	-121.8	94.7	164.7	-178.7	0	0	0	0	106.7	A48 L182 S286 F288 W289 I456	A48-V291 HydrophobicContact CB-CG2 3.46Å; A48-V291 VanDerWaalsContact CB-CG2 3.46Å; L182-V291 HydrophobicContact CD2-CG1 4.39Å; L182-V291 HydrophobicContact CD2-CG2 4.33Å; S286-V291 WeakPolarHBondContact CB-O 3.26Å; S286-V291 PolarHBondContact OG-O 2.55Å; F288-V291 HydrophobicContact CB-CB 4.42Å; F288-V291 PolarHBondContact O-N 3.31Å; W289-V291 PolarHBondContact O-N 3.41Å; W289-V291 VanDerWaalsContact O-N 3.11Å; V291-I456 HydrophobicContact CG1-CB 4.2Å; V291-I456 HydrophobicContact CG1-CG2 3.85Å
292	A	96.9	Very high	97.2	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	6%	0.058	C	C	.	.			trans	-144.7	68.8	-175	0	0	0	0	0	109.6	S284 G294 H553	S284-A292 PolarHBondContact OG-O 3.25Å; S284-A292 VanDerWaalsContact OG-O 3.06Å; A292-G294 PolarHBondContact O-N 3.28Å; A292-H553 PolarHBondContact O-N 3.38Å
293	P	96.9	Very high	97.2	Very high	12 Å²	12	11.7 Å²	11.7	8%	0.078	6%	0.058	C	C	.	.			trans	-67.3	-36.6	-173.2	27.2	-35.6	0	0	0	113	A295 D458 T459 H553	P293-A295 VanDerWaalsContact C-N 3.27Å; P293-A295 PolarHBondContact O-N 3.3Å; P293-A295 VanDerWaalsContact O-N 3.09Å; P293-D458 CarbonylContact C-O 3.53Å; P293-D458 WeakPolarHBondContact CB-O 3.3Å; P293-D458 VanDerWaalsContact CG-O 3.26Å; P293-D458 WeakPolarHBondContact CG-O 3.28Å; P293-T459 HydrophobicContact CB-CG2 3.92Å; P293-T459 HydrophobicContact CG-CG2 3.85Å; P293-H553 PolarHBondContact O-CD2 2.71Å
294	G	97.5	Very high	97.3	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.01	6%	0.058	C	C	.	.			trans	54	32.2	166.9	0	0	0	0	0	116.9	S284 A292 E296 S297 A298 V299 D458	S284-G294 VanDerWaalsContact OG-CA 3.29Å; S284-G294 WeakPolarHBondContact OG-CA 3.4Å; S284-G294 PolarHBondContact OG-N 3.14Å; A292-G294 PolarHBondContact O-N 3.28Å; G294-E296 PolarHBondContact O-N 3.15Å; G294-S297 VanDerWaalsContact CA-OG 3.29Å; G294-S297 WeakPolarHBondContact CA-OG 3.15Å; G294-A298 PolarHBondContact O-N 3.12Å; G294-V299 WeakPolarHBondContact O-CG2 3.39Å; G294-V299 PolarHBondContact O-N 3.33Å; G294-D458 WeakPolarHBondContact CA-OD2 3.36Å; G294-D458 PolarHBondContact N-O 3.25Å; G294-D458 VanDerWaalsContact N-O 3.11Å
295	A	98.2	Very high	97.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-59.6	-49.3	-169.4	0	0	0	0	0	113.1	P293 V299 A300 D458 T459 I463 L526	P293-A295 VanDerWaalsContact C-N 3.27Å; P293-A295 PolarHBondContact O-N 3.3Å; P293-A295 VanDerWaalsContact O-N 3.09Å; A295-V299 WeakPolarHBondContact O-CB 3.13Å; A295-V299 PolarHBondContact O-N 2.81Å; A295-A300 PolarHBondContact O-N 2.77Å; A295-D458 VanDerWaalsContact CB-O 3.3Å; A295-D458 WeakPolarHBondContact CB-O 3.34Å; A295-D458 PolarHBondContact N-O 3.33Å; A295-D458 PolarHBondContact N-OD1 3.1Å; A295-D458 PolarHBondContact N-OD2 3.13Å; A295-T459 WeakPolarHBondContact CB-O 3.27Å; A295-I463 HydrophobicContact CB-CD1 4.23Å; A295-I463 HydrophobicContact CB-CG1 4.24Å; A295-I463 HydrophobicContact CB-CG2 4.41Å; A295-L526 HydrophobicContact CB-CD1 4.22Å; A295-L526 HydrophobicContact CB-CD2 3.68Å
296	E	98.1	Very high	97.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-84.4	-46.6	178	-164.5	-60.6	126	0	0	110	G294 A298 Q367 A369 L370 N450 D458 I463	G294-E296 PolarHBondContact O-N 3.15Å; E296-A298 VanDerWaalsContact C-N 3.31Å; E296-A298 PolarHBondContact O-N 3.41Å; E296-Q367 VanDerWaalsContact OE1-C 3.32Å; E296-Q367 WeakPolarHBondContact OE1-CA 3.18Å; E296-Q367 WeakPolarHBondContact OE1-CB 3.4Å; E296-Q367 VanDerWaalsContact OE2-CD 3.29Å; E296-Q367 WeakPolarHBondContact OE2-CG 3.48Å; E296-Q367 PolarHBondContact OE2-OE1 3.22Å; E296-A369 HydrophobicContact CG-CB 4.15Å; E296-L370 HydrophobicContact CG-CD1 3.73Å; E296-L370 HydrophobicContact CG-CG 3.75Å; E296-N450 WeakPolarHBondContact CB-ND2 3.26Å; E296-N450 HydrophobicContact CG-CB 4.02Å; E296-N450 WeakPolarHBondContact OE2-CB 3.02Å; E296-N450 PolarHBondContact OE2-ND2 3.5Å; E296-D458 VanDerWaalsContact CB-OD1 3.29Å; E296-D458 WeakPolarHBondContact CB-OD1 3.23Å; E296-D458 PolarHBondContact N-OD1 2.95Å; E296-I463 HydrophobicContact CB-CG2 3.57Å; E296-I463 HydrophobicContact CG-CG2 3.92Å
297	S	96.9	Very high	97.5	Very high	7 Å²	7	10.7 Å²	10.7	5%	0.049	5%	0.053	C	C	.	.	I	π-helix	trans	-65.4	-26.4	-172.8	52.4	0	0	0	0	115.4	G294 Q454 D458	G294-S297 VanDerWaalsContact CA-OG 3.29Å; G294-S297 WeakPolarHBondContact CA-OG 3.15Å; S297-Q454 VanDerWaalsContact CB-OE1 3.26Å; S297-Q454 PolarHBondContact OG-OE1 2.75Å; S297-D458 WeakPolarHBondContact CB-OD2 3.42Å; S297-D458 PolarHBondContact N-OD2 2.7Å; S297-D458 VanDerWaalsContact N-OD2 3.14Å; S297-D458 PolarHBondContact OG-OD2 2.76Å
298	A	97.9	Very high	97.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-133.1	-56.9	178.7	0	0	0	0	0	112.3	D283 G294 E296 A300 S301 F302	D283-A298 WeakPolarHBondContact O-CB 3.31Å; G294-A298 PolarHBondContact O-N 3.12Å; E296-A298 VanDerWaalsContact C-N 3.31Å; E296-A298 PolarHBondContact O-N 3.41Å; A298-A300 PolarHBondContact O-N 2.97Å; A298-S301 WeakPolarHBondContact O-CB 3.04Å; A298-S301 PolarHBondContact O-N 3.37Å; A298-F302 VanDerWaalsContact C-CD1 3.42Å; A298-F302 HydrophobicContact CB-CD1 4.15Å; A298-F302 HydrophobicContact CB-CE1 4.01Å; A298-F302 WeakPolarHBondContact O-CD1 3.46Å; A298-F302 PolarHBondContact O-N 2.99Å
299	V	98.6	Very high	97.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-59.6	-49.5	-165.7	-176	0	0	0	0	113.2	G294 A295 S301 F302 V303 L522 F525 L526 H553	G294-V299 WeakPolarHBondContact O-CG2 3.39Å; G294-V299 PolarHBondContact O-N 3.33Å; A295-V299 WeakPolarHBondContact O-CB 3.13Å; A295-V299 PolarHBondContact O-N 2.81Å; V299-S301 PolarHBondContact O-N 3.42Å; V299-F302 HydrophobicContact CB-CE1 4.09Å; V299-F302 HydrophobicContact CB-CZ 3.89Å; V299-F302 HydrophobicContact CG1-CE2 4.15Å; V299-F302 HydrophobicContact CG1-CZ 3.89Å; V299-F302 HydrophobicContact CG2-CE1 3.85Å; V299-F302 HydrophobicContact CG2-CZ 3.69Å; V299-F302 PolarHBondContact O-N 2.85Å; V299-V303 HydrophobicContact CG1-CG2 3.83Å; V299-V303 WeakPolarHBondContact O-CB 3.37Å; V299-V303 WeakPolarHBondContact O-CG2 3.25Å; V299-V303 PolarHBondContact O-N 3.39Å; V299-L522 HydrophobicContact CG1-CD2 4.31Å; V299-F525 HydrophobicContact CG1-CB 3.72Å; V299-F525 HydrophobicContact CG1-CD2 4.5Å; V299-F525 HydrophobicContact CG1-CG 4.29Å; V299-L526 HydrophobicContact CB-CD2 3.96Å; V299-L526 HydrophobicContact CB-CG 4.49Å; V299-L526 HydrophobicContact CG1-CD1 4.2Å; V299-L526 HydrophobicContact CG1-CD2 3.9Å; V299-L526 HydrophobicContact CG1-CG 3.93Å; V299-L526 HydrophobicContact CG2-CD2 3.78Å; V299-H553 VanDerWaalsContact CG2-NE2 3.27Å; V299-H553 WeakPolarHBondContact CG2-NE2 3.28Å
300	A	98.4	Very high	97.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.3	-37.8	178.1	0	0	0	0	0	112.5	A295 A298 T304 A369 L487	A295-A300 PolarHBondContact O-N 2.77Å; A298-A300 PolarHBondContact O-N 2.97Å; A300-T304 WeakPolarHBondContact O-CG2 3.5Å; A300-T304 PolarHBondContact O-N 3.03Å; A300-T304 VanDerWaalsContact O-N 3.16Å; A300-T304 PolarHBondContact O-OG1 3.02Å; A300-A369 HydrophobicContact CB-CB 3.45Å; A300-A369 VanDerWaalsContact CB-CB 3.45Å; A300-L487 HydrophobicContact CB-CD1 4.09Å; A300-L487 HydrophobicContact CB-CD2 4.37Å
301	S	98.3	Very high	98	Very high	2 Å²	2	3 Å²	3	1%	0.014	2%	0.018	C	C	.	.	H	α-helix	trans	-72.6	-51.7	-178.3	-52.6	0	0	0	0	111.6	T280 A298 V299 V303 T304 Q305 Q367	T280-S301 WeakPolarHBondContact CG2-O 3.38Å; A298-S301 WeakPolarHBondContact O-CB 3.04Å; A298-S301 PolarHBondContact O-N 3.37Å; V299-S301 PolarHBondContact O-N 3.42Å; S301-V303 PolarHBondContact O-N 3.33Å; S301-T304 PolarHBondContact O-N 2.94Å; S301-T304 PolarHBondContact O-OG1 2.89Å; S301-Q305 PolarHBondContact O-N 2.72Å; S301-Q305 VanDerWaalsContact O-N 3.15Å; S301-Q367 PolarHBondContact OG-N 3.21Å
302	F	98.6	Very high	98.1	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-72.5	-28.7	-179.9	67.2	-113.6	0	0	0	112.8	L282 A298 V299 Q305 L306 F329 F525 H553 V567	L282-F302 HydrophobicContact CD1-CB 4.4Å; L282-F302 HydrophobicContact CD1-CD1 3.66Å; L282-F302 HydrophobicContact CD1-CD2 4.26Å; L282-F302 HydrophobicContact CD1-CE1 3.83Å; L282-F302 HydrophobicContact CD1-CE2 4.45Å; L282-F302 HydrophobicContact CD1-CG 3.89Å; L282-F302 HydrophobicContact CD1-CZ 4.23Å; A298-F302 VanDerWaalsContact C-CD1 3.42Å; A298-F302 HydrophobicContact CB-CD1 4.15Å; A298-F302 HydrophobicContact CB-CE1 4.01Å; A298-F302 WeakPolarHBondContact O-CD1 3.46Å; A298-F302 PolarHBondContact O-N 2.99Å; V299-F302 HydrophobicContact CB-CE1 4.09Å; V299-F302 HydrophobicContact CB-CZ 3.89Å; V299-F302 HydrophobicContact CG1-CE2 4.15Å; V299-F302 HydrophobicContact CG1-CZ 3.89Å; V299-F302 HydrophobicContact CG2-CE1 3.85Å; V299-F302 HydrophobicContact CG2-CZ 3.69Å; V299-F302 PolarHBondContact O-N 2.85Å; F302-Q305 PolarHBondContact O-N 2.91Å; F302-L306 HydrophobicContact CD2-CD1 4.26Å; F302-L306 WeakPolarHBondContact O-CB 3.05Å; F302-L306 VanDerWaalsContact O-CG 3.29Å; F302-L306 WeakPolarHBondContact O-CG 3.45Å; F302-L306 PolarHBondContact O-N 3.13Å; F302-F329 HydrophobicContact CB-CD1 3.75Å; F302-F329 HydrophobicContact CB-CE1 3.96Å; F302-F525 HydrophobicContact CE2-CD1 4.21Å; F302-F525 AromaticContact CE2-CD2 3.88Å; F302-F525 HydrophobicContact CE2-CD2 3.88Å; F302-F525 HydrophobicContact CE2-CE1 4.15Å; F302-F525 AromaticContact CE2-CE2 3.83Å; F302-F525 HydrophobicContact CE2-CE2 3.83Å; F302-F525 HydrophobicContact CE2-CG 4.11Å; F302-F525 AromaticContact CE2-CZ 3.98Å; F302-F525 HydrophobicContact CE2-CZ 3.98Å; F302-F525 HydrophobicContact CZ-CD1 4.18Å; F302-F525 HydrophobicContact CZ-CD2 4.48Å; F302-F525 HydrophobicContact CZ-CE1 4.39Å; F302-F525 HydrophobicContact CZ-CG 4.27Å; F302-H553 AromaticContact CE1-ND1 3.96Å; F302-H553 AromaticContact CZ-CE1 3.68Å; F302-H553 AromaticContact CZ-ND1 3.97Å; F302-V567 HydrophobicContact CD2-CG2 4.34Å; F302-V567 HydrophobicContact CE2-CG2 4.23Å
303	V	98.8	Very high	98	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66	-40.6	174.1	168.8	0	0	0	0	111	V299 S301 L306 A307 V518 L521 L522 F525	V299-V303 HydrophobicContact CG1-CG2 3.83Å; V299-V303 WeakPolarHBondContact O-CB 3.37Å; V299-V303 WeakPolarHBondContact O-CG2 3.25Å; V299-V303 PolarHBondContact O-N 3.39Å; S301-V303 PolarHBondContact O-N 3.33Å; V303-L306 PolarHBondContact O-N 2.94Å; V303-A307 WeakPolarHBondContact O-CB 3.34Å; V303-A307 PolarHBondContact O-N 3.09Å; V303-V518 HydrophobicContact CG1-CG1 4.01Å; V303-L521 HydrophobicContact CG1-CB 3.83Å; V303-L521 HydrophobicContact CG1-CD1 4.12Å; V303-L521 HydrophobicContact CG2-CB 4.1Å; V303-L522 HydrophobicContact CB-CD2 4.4Å; V303-L522 HydrophobicContact CG1-CD2 4.19Å; V303-L522 HydrophobicContact CG1-CG 4.2Å; V303-L522 HydrophobicContact CG2-CD2 4.3Å; V303-F525 HydrophobicContact CG2-CD2 3.93Å; V303-F525 HydrophobicContact CG2-CE2 4.31Å
304	T	98.7	Very high	97.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.8	-40.7	174.4	43.2	0	0	0	0	112	A300 S301 A307 A308 L365 V368 L487 V490 A491	A300-T304 WeakPolarHBondContact O-CG2 3.5Å; A300-T304 PolarHBondContact O-N 3.03Å; A300-T304 VanDerWaalsContact O-N 3.16Å; A300-T304 PolarHBondContact O-OG1 3.02Å; S301-T304 PolarHBondContact O-N 2.94Å; S301-T304 PolarHBondContact O-OG1 2.89Å; T304-A307 PolarHBondContact O-N 3.43Å; T304-A308 WeakPolarHBondContact O-CB 3.19Å; T304-A308 PolarHBondContact O-N 3.32Å; T304-L365 WeakPolarHBondContact OG1-CD2 3.21Å; T304-V368 HydrophobicContact CG2-CG2 4.03Å; T304-L487 HydrophobicContact CG2-CB 3.58Å; T304-L487 HydrophobicContact CG2-CD1 4.28Å; T304-L487 HydrophobicContact CG2-CD2 3.63Å; T304-L487 HydrophobicContact CG2-CG 4Å; T304-L487 WeakPolarHBondContact CG2-O 3.1Å; T304-V490 HydrophobicContact CG2-CB 4.46Å; T304-A491 VanDerWaalsContact O-CB 3.27Å; T304-A491 WeakPolarHBondContact O-CB 3.16Å
305	Q	98.8	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.8	-39.8	174.4	-176	178.9	-18.3	0	0	112.8	A278 A279 T280 S301 F302 A307 A308 A309 F327 V328 F329	A278-Q305 PolarHBondContact O-NE2 3.24Å; A279-Q305 PolarHBondContact O-OE1 3.41Å; T280-Q305 HydrophobicContact CG2-CB 3.96Å; T280-Q305 PolarHBondContact OG1-OE1 2.92Å; S301-Q305 PolarHBondContact O-N 2.72Å; S301-Q305 VanDerWaalsContact O-N 3.15Å; F302-Q305 PolarHBondContact O-N 2.91Å; Q305-A307 VanDerWaalsContact C-N 3.33Å; Q305-A307 PolarHBondContact O-N 3.1Å; Q305-A308 PolarHBondContact O-N 3.22Å; Q305-A309 PolarHBondContact O-N 3.12Å; Q305-F327 HydrophobicContact CG-CD1 3.97Å; Q305-V328 PolarHBondContact NE2-O 2.76Å; Q305-V328 VanDerWaalsContact NE2-O 3.16Å; Q305-F329 HydrophobicContact CB-CE1 3.92Å; Q305-F329 HydrophobicContact CB-CZ 4.27Å; Q305-F329 HydrophobicContact CG-CE1 3.9Å; Q305-F329 HydrophobicContact CG-CZ 3.85Å
306	L	98.8	Very high	97.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-43.6	174.3	-76	171.6	0	0	0	111.6	F302 V303 A309 E310 F329 L521 V567 L571 L574	F302-L306 HydrophobicContact CD2-CD1 4.26Å; F302-L306 WeakPolarHBondContact O-CB 3.05Å; F302-L306 VanDerWaalsContact O-CG 3.29Å; F302-L306 WeakPolarHBondContact O-CG 3.45Å; F302-L306 PolarHBondContact O-N 3.13Å; V303-L306 PolarHBondContact O-N 2.94Å; L306-A309 WeakPolarHBondContact O-CB 3.35Å; L306-A309 PolarHBondContact O-N 3.47Å; L306-E310 PolarHBondContact O-N 2.96Å; L306-F329 HydrophobicContact CD2-CE1 4.14Å; L306-F329 HydrophobicContact CD2-CE2 4.18Å; L306-F329 HydrophobicContact CD2-CZ 3.59Å; L306-F329 HydrophobicContact CG-CE1 3.94Å; L306-F329 HydrophobicContact CG-CZ 3.84Å; L306-L521 HydrophobicContact CB-CD1 4.05Å; L306-L521 HydrophobicContact CD1-CD1 4.4Å; L306-L521 HydrophobicContact CD1-CD2 4.11Å; L306-V567 HydrophobicContact CD1-CG2 4.49Å; L306-V567 HydrophobicContact CD2-CG1 4.35Å; L306-L571 HydrophobicContact CD2-CB 3.86Å; L306-L571 HydrophobicContact CD2-CD1 3.87Å; L306-L571 HydrophobicContact CD2-CG 4.39Å; L306-L574 HydrophobicContact CB-CD1 4.05Å; L306-L574 HydrophobicContact CD2-CD1 4.4Å
307	A	98.6	Very high	97.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68	-35.7	177.9	0	0	0	0	0	112.4	V303 T304 Q305 E310 A311 A491 A513 V518	V303-A307 WeakPolarHBondContact O-CB 3.34Å; V303-A307 PolarHBondContact O-N 3.09Å; T304-A307 PolarHBondContact O-N 3.43Å; Q305-A307 VanDerWaalsContact C-N 3.33Å; Q305-A307 PolarHBondContact O-N 3.1Å; A307-E310 PolarHBondContact O-N 3.04Å; A307-A311 WeakPolarHBondContact O-CB 3.25Å; A307-A311 PolarHBondContact O-N 2.93Å; A307-A491 HydrophobicContact CB-CB 3.75Å; A307-A513 HydrophobicContact CB-CB 4.13Å; A307-V518 HydrophobicContact CB-CG2 3.6Å
308	A	98.6	Very high	96.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-38.1	173.2	0	0	0	0	0	112	T304 Q305 A311 L312 A491 L494	T304-A308 WeakPolarHBondContact O-CB 3.19Å; T304-A308 PolarHBondContact O-N 3.32Å; Q305-A308 PolarHBondContact O-N 3.22Å; A308-A311 PolarHBondContact O-N 3.18Å; A308-L312 WeakPolarHBondContact O-CB 3.47Å; A308-L312 PolarHBondContact O-N 2.85Å; A308-A491 HydrophobicContact CB-CB 4.36Å; A308-A491 WeakPolarHBondContact CB-O 3.23Å; A308-L494 HydrophobicContact CB-CB 4.09Å; A308-L494 HydrophobicContact CB-CD2 3.63Å; A308-L494 HydrophobicContact CB-CG 3.95Å
309	A	98.4	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-42	174.5	0	0	0	0	0	111.7	Q305 L306 L312 Q313 F327 L571 T575	Q305-A309 PolarHBondContact O-N 3.12Å; L306-A309 WeakPolarHBondContact O-CB 3.35Å; L306-A309 PolarHBondContact O-N 3.47Å; A309-L312 PolarHBondContact O-N 3.01Å; A309-Q313 WeakPolarHBondContact O-CB 3.49Å; A309-Q313 PolarHBondContact O-N 2.82Å; A309-F327 HydrophobicContact CB-CD1 3.98Å; A309-F327 HydrophobicContact CB-CD2 4.06Å; A309-F327 HydrophobicContact CB-CE1 3.82Å; A309-F327 HydrophobicContact CB-CE2 3.9Å; A309-F327 HydrophobicContact CB-CG 4.1Å; A309-F327 HydrophobicContact CB-CZ 3.77Å; A309-L571 HydrophobicContact CB-CD1 4.08Å; A309-T575 HydrophobicContact CB-CG2 3.87Å
310	E	98	Very high	96.2	Very high	20 Å²	20	26.7 Å²	26.7	9%	0.093	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-47.5	173.5	-168.9	-163.6	178.2	0	0	111.8	L306 A307 L312 Q313 K314 T517 L574	L306-E310 PolarHBondContact O-N 2.96Å; A307-E310 PolarHBondContact O-N 3.04Å; E310-L312 PolarHBondContact O-N 3.21Å; E310-Q313 PolarHBondContact O-N 3.1Å; E310-K314 VanDerWaalsContact CD-NZ 3.34Å; E310-K314 WeakPolarHBondContact O-CG 3.35Å; E310-K314 PolarHBondContact O-N 2.85Å; E310-K314 WeakPolarHBondContact OE1-CE 3.29Å; E310-K314 IonicContact OE1-NZ 3.9Å; E310-K314 PolarHBondContact OE1-NZ 2.96Å; E310-T517 PolarHBondContact OE1-OG1 2.72Å; E310-T517 WeakPolarHBondContact OE2-CB 3.47Å; E310-T517 WeakPolarHBondContact OE2-CG2 3.4Å; E310-T517 PolarHBondContact OE2-OG1 2.93Å; E310-L574 HydrophobicContact CB-CB 4.08Å; E310-L574 HydrophobicContact CB-CD2 4.07Å; E310-L574 HydrophobicContact CB-CG 4.5Å; E310-L574 HydrophobicContact CG-CB 4.28Å; E310-L574 HydrophobicContact CG-CD2 3.81Å
311	A	97.3	Very high	96	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-44.3	179.8	0	0	0	0	0	111.6	A307 A308 K314 V511 A513	A307-A311 WeakPolarHBondContact O-CB 3.25Å; A307-A311 PolarHBondContact O-N 2.93Å; A308-A311 PolarHBondContact O-N 3.18Å; A311-K314 PolarHBondContact O-N 3.11Å; A311-V511 HydrophobicContact CB-CG1 3.98Å; A311-A513 HydrophobicContact CB-CB 4.2Å
312	L	96.9	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.7	-37.1	-178.3	-173.3	60.3	0	0	0	112.3	L260 A308 A309 E310 K314 A315 V318 V325 F327 L498 Y499	L260-L312 HydrophobicContact CD1-CD2 4.21Å; L260-L312 HydrophobicContact CD1-CG 3.95Å; L260-L312 HydrophobicContact CD2-CD2 3.79Å; L260-L312 HydrophobicContact CD2-CG 3.96Å; A308-L312 WeakPolarHBondContact O-CB 3.47Å; A308-L312 PolarHBondContact O-N 2.85Å; A309-L312 PolarHBondContact O-N 3.01Å; E310-L312 PolarHBondContact O-N 3.21Å; L312-K314 PolarHBondContact O-N 3.36Å; L312-A315 WeakPolarHBondContact O-CB 3.5Å; L312-A315 PolarHBondContact O-N 3.48Å; L312-A315 VanDerWaalsContact O-N 3.17Å; L312-V318 WeakPolarHBondContact O-CG2 3.47Å; L312-V325 HydrophobicContact CD2-CB 4.27Å; L312-V325 HydrophobicContact CD2-CG1 4.22Å; L312-V325 HydrophobicContact CD2-CG2 4.1Å; L312-F327 HydrophobicContact CD2-CE2 4.23Å; L312-F327 HydrophobicContact CD2-CZ 3.76Å; L312-L498 HydrophobicContact CD2-CB 3.97Å; L312-Y499 HydrophobicContact CD1-CD2 4.01Å; L312-Y499 HydrophobicContact CD1-CG 4.31Å
313	Q	95.6	Very high	95.7	Very high	60 Å²	60	36 Å²	36	28%	0.28	20%	0.197	S	C	.	.	H	α-helix	trans	-62.4	-28.5	178.1	-170.7	68.2	21.8	0	0	112.5	A309 E310 A315 T575	A309-Q313 WeakPolarHBondContact O-CB 3.49Å; A309-Q313 PolarHBondContact O-N 2.82Å; E310-Q313 PolarHBondContact O-N 3.1Å; Q313-A315 VanDerWaalsContact C-N 3.27Å; Q313-A315 PolarHBondContact O-N 3.31Å; Q313-T575 VanDerWaalsContact CD-O 3.28Å; Q313-T575 WeakPolarHBondContact CG-O 3.36Å; Q313-T575 PolarHBondContact NE2-O 2.8Å
314	K	93.3	Very high	95.7	Very high	121 Å²	121	36.7 Å²	36.7	53%	0.526	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.9	180	-68.8	172.2	-173.8	169.3	0	113.5	E310 A311 L312	E310-K314 VanDerWaalsContact CD-NZ 3.34Å; E310-K314 WeakPolarHBondContact O-CG 3.35Å; E310-K314 PolarHBondContact O-N 2.85Å; E310-K314 WeakPolarHBondContact OE1-CE 3.29Å; E310-K314 IonicContact OE1-NZ 3.9Å; E310-K314 PolarHBondContact OE1-NZ 2.96Å; A311-K314 PolarHBondContact O-N 3.11Å; L312-K314 PolarHBondContact O-N 3.36Å
315	A	93.9	Very high	95.7	Very high	7 Å²	7	36.7 Å²	36.7	6%	0.058	20%	0.2	C	C	.	.			trans	-65.6	137.8	176.2	0	0	0	0	0	111.2	L312 Q313 D317 V318 Y499 V511	L312-A315 WeakPolarHBondContact O-CB 3.5Å; L312-A315 PolarHBondContact O-N 3.48Å; L312-A315 VanDerWaalsContact O-N 3.17Å; Q313-A315 VanDerWaalsContact C-N 3.27Å; Q313-A315 PolarHBondContact O-N 3.31Å; A315-D317 PolarHBondContact O-N 2.97Å; A315-V318 HydrophobicContact CB-CG2 3.84Å; A315-V318 VanDerWaalsContact O-CG2 3.24Å; A315-V318 WeakPolarHBondContact O-CG2 3.24Å; A315-Y499 HydrophobicContact CB-CD2 4.39Å; A315-Y499 HydrophobicContact CB-CE2 4.27Å; A315-V511 HydrophobicContact CB-CG2 3.94Å
316	P	91.2	Very high	95.6	Very high	85 Å²	85	36.7 Å²	36.7	55%	0.552	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-23.4	-171.5	28.6	-35.2	0	0	0	114.2	F507	P316-F507 HydrophobicContact CG-CB 4.25Å; P316-F507 HydrophobicContact CG-CD1 3.63Å; P316-F507 HydrophobicContact CG-CD2 3.7Å; P316-F507 HydrophobicContact CG-CE1 3.77Å; P316-F507 HydrophobicContact CG-CE2 3.83Å; P316-F507 HydrophobicContact CG-CG 3.58Å; P316-F507 HydrophobicContact CG-CZ 3.87Å
317	D	93	Very high	95.6	Very high	24 Å²	24	36.7 Å²	36.7	13%	0.128	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	16.2	-171.8	65.4	-34.5	0	0	0	113.7	A315 T319 T320 L321 Y499 F507	A315-D317 PolarHBondContact O-N 2.97Å; D317-T319 PolarHBondContact O-N 2.61Å; D317-T319 VanDerWaalsContact O-N 3.14Å; D317-T320 PolarHBondContact O-N 3.41Å; D317-T320 PolarHBondContact O-OG1 3.41Å; D317-L321 PolarHBondContact O-N 3.21Å; D317-Y499 VanDerWaalsContact CG-OH 3.23Å; D317-Y499 VanDerWaalsContact OD1-CE2 3.25Å; D317-Y499 WeakPolarHBondContact OD1-CE2 3.49Å; D317-Y499 PolarHBondContact OD1-OH 3.35Å; D317-Y499 VanDerWaalsContact OD1-OH 3.14Å; D317-Y499 PolarHBondContact OD2-OH 2.74Å; D317-F507 HydrophobicContact CB-CD2 4.04Å; D317-F507 HydrophobicContact CB-CE2 4.07Å; D317-F507 VanDerWaalsContact CG-CD2 3.49Å; D317-F507 WeakPolarHBondContact OD1-CD2 3.39Å
318	V	92.2	Very high	95.6	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.073	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-51	-40.3	-179.4	166.6	0	0	0	0	112.9	L260 K261 L312 A315 T320	L260-V318 HydrophobicContact CD1-CG1 3.74Å; L260-V318 HydrophobicContact CD1-CG2 4.2Å; L260-V318 HydrophobicContact CD2-CG1 3.97Å; L260-V318 HydrophobicContact CG-CG1 3.54Å; K261-V318 WeakPolarHBondContact CD-O 3.37Å; K261-V318 HydrophobicContact CG-CG1 4.34Å; K261-V318 WeakPolarHBondContact CG-O 3.4Å; L312-V318 WeakPolarHBondContact O-CG2 3.47Å; A315-V318 HydrophobicContact CB-CG2 3.84Å; A315-V318 VanDerWaalsContact O-CG2 3.24Å; A315-V318 WeakPolarHBondContact O-CG2 3.24Å; V318-T320 VanDerWaalsContact C-N 3.26Å; V318-T320 PolarHBondContact O-N 3.45Å
319	T	90.6	Very high	95.7	Very high	120 Å²	120	36.7 Å²	36.7	74%	0.736	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-69.7	-22.8	-176.5	54.7	0	0	0	0	113.3	D317	D317-T319 PolarHBondContact O-N 2.61Å; D317-T319 VanDerWaalsContact O-N 3.14Å
320	T	93.2	Very high	95.7	Very high	109 Å²	109	36.7 Å²	36.7	67%	0.669	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-100.8	-0.1	-175.9	52.2	0	0	0	0	114.1	D317 V318	D317-T320 PolarHBondContact O-N 3.41Å; D317-T320 PolarHBondContact O-OG1 3.41Å; V318-T320 VanDerWaalsContact C-N 3.26Å; V318-T320 PolarHBondContact O-N 3.45Å
321	L	94.3	Very high	95.7	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.047	20%	0.196	C	C	.	.			trans	-61.5	140.7	179.1	-66.2	173.3	0	0	0	111.3	L260 K261 D317 Y499 A502	L260-L321 HydrophobicContact CD2-CD1 3.91Å; K261-L321 PolarHBondContact NZ-O 3.04Å; D317-L321 PolarHBondContact O-N 3.21Å; L321-Y499 HydrophobicContact CD2-CD2 4.4Å; L321-Y499 HydrophobicContact CD2-CE2 4.01Å; L321-A502 HydrophobicContact CB-CB 4.44Å; L321-A502 HydrophobicContact CD1-CB 3.88Å; L321-A502 HydrophobicContact CD2-CB 4.49Å
322	P	94.3	Very high	95.6	Very high	92 Å²	92	35.7 Å²	35.7	60%	0.597	20%	0.196	S	C	*	.	S	Bend	trans	-68.9	-44.9	-180	23.1	-30.4	0	0	0	112.3	A502	P322-A502 WeakPolarHBondContact CD-O 3.33Å; P322-A502 VanDerWaalsContact CG-O 3.22Å; P322-A502 WeakPolarHBondContact CG-O 3.19Å
323	R	96	Very high	95.7	Very high	96 Å²	96	36 Å²	36	36%	0.362	20%	0.197	S	C	.	.	S	Bend	trans	-97	162.7	175.7	-61	85.9	162.3	-163.2	-5.6	110.8	K261 R274 A502	K261-R323 VanDerWaalsContact CE-O 3.27Å; K261-R323 WeakPolarHBondContact CE-O 3.17Å; K261-R323 PolarHBondContact NZ-O 3.39Å; R274-R323 HydrophobicContact CB-CG 3.92Å; R274-R323 WeakPolarHBondContact O-CB 3.15Å; R323-A502 PolarHBondContact N-O 3.08Å; R323-A502 VanDerWaalsContact N-O 3.07Å
324	N	97.3	Very high	95.8	Very high	14 Å²	14	33.2 Å²	33.2	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	159.6	172	-155.8	-3.4	0	0	0	110.5	M259 K261 R274 V275 V276	M259-N324 HydrophobicContact CE-CB 4.16Å; M259-N324 WeakPolarHBondContact CE-ND2 3.5Å; K261-N324 WeakPolarHBondContact CB-OD1 3.42Å; K261-N324 PolarHBondContact N-OD1 3.14Å; K261-N324 PolarHBondContact O-ND2 3.09Å; R274-N324 PolarHBondContact O-N 3.29Å; R274-N324 VanDerWaalsContact O-N 3.09Å; V275-N324 CarbonylContact C-O 3.52Å; V275-N324 VanDerWaalsContact CA-O 3.32Å; V275-N324 WeakPolarHBondContact CA-O 3.45Å; V275-N324 HydrophobicContact CG2-CB 4.3Å; V276-N324 PolarHBondContact N-O 2.73Å
325	V	98.4	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.2	174.4	-176.7	0	0	0	0	108.6	L260 V276 L312 F327 L498 A502	L260-V325 HydrophobicContact CB-CB 3.98Å; L260-V325 HydrophobicContact CD2-CB 4.12Å; L260-V325 HydrophobicContact CD2-CG2 4.01Å; L260-V325 PolarHBondContact N-O 3.32Å; V276-V325 HydrophobicContact CB-CG2 4.42Å; V276-V325 CarbonylContact O-C 3.55Å; V276-V325 WeakPolarHBondContact O-CA 3.33Å; L312-V325 HydrophobicContact CD2-CB 4.27Å; L312-V325 HydrophobicContact CD2-CG1 4.22Å; L312-V325 HydrophobicContact CD2-CG2 4.1Å; V325-F327 HydrophobicContact CG1-CD2 4.38Å; V325-F327 HydrophobicContact CG1-CE1 4.37Å; V325-F327 HydrophobicContact CG1-CE2 3.88Å; V325-F327 HydrophobicContact CG1-CZ 3.88Å; V325-L498 HydrophobicContact CG1-CB 4.43Å; V325-L498 HydrophobicContact CG1-CD1 4.24Å; V325-L498 HydrophobicContact CG1-CD2 4.24Å; V325-A502 HydrophobicContact CG2-CB 3.85Å
326	M	98.6	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.2	172.8	-176.1	174.2	76.4	0	0	109.1	W257 S258 M259 V275 V276 V277 A278 V328 M347 F352 V354	W257-M326 HydrophobicContact CE3-SD 3.96Å; W257-M326 HydrophobicContact CZ3-SD 4.46Å; S258-M326 CarbonylContact O-C 3.59Å; S258-M326 WeakPolarHBondContact O-CA 3.41Å; M259-M326 HydrophobicContact CE-CB 4.13Å; M259-M326 HydrophobicContact SD-CB 3.5Å; M259-M326 WeakPolarHBondContact SD-CB 3.5Å; M259-M326 HydrophobicContact SD-CG 3.47Å; M259-M326 WeakPolarHBondContact SD-CG 3.1Å; M259-M326 HydrophobicContact SD-SD 3.95Å; V275-M326 HydrophobicContact CG1-CB 3.61Å; V276-M326 PolarHBondContact O-N 2.67Å; V277-M326 WeakPolarHBondContact CA-O 3.3Å; V277-M326 HydrophobicContact CB-CE 4.41Å; V277-M326 HydrophobicContact CG1-CE 3.78Å; V277-M326 HydrophobicContact CG2-CE 3.79Å; A278-M326 PolarHBondContact N-O 3.47Å; M326-V328 HydrophobicContact CE-CG1 4.48Å; M326-M347 HydrophobicContact CE-CE 3.9Å; M326-F352 HydrophobicContact SD-CE1 4.12Å; M326-F352 HydrophobicContact SD-CZ 4.36Å; M326-V354 HydrophobicContact SD-CB 4.45Å; M326-V354 HydrophobicContact SD-CG2 3.92Å
327	F	98.8	Very high	96.4	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.9	168.4	-62.6	-84.1	0	0	0	108.6	W257 S258 A278 Q305 A309 L312 V325 F329 L498	W257-F327 CarbonylContact C-O 3.57Å; W257-F327 WeakPolarHBondContact CA-O 3.29Å; S258-F327 PolarHBondContact N-O 3.44Å; S258-F327 PolarHBondContact O-N 3.06Å; A278-F327 HydrophobicContact CB-CD1 3.73Å; A278-F327 HydrophobicContact CB-CE1 4.03Å; A278-F327 CarbonylContact O-C 3.56Å; A278-F327 WeakPolarHBondContact O-CA 3.43Å; Q305-F327 HydrophobicContact CG-CD1 3.97Å; A309-F327 HydrophobicContact CB-CD1 3.98Å; A309-F327 HydrophobicContact CB-CD2 4.06Å; A309-F327 HydrophobicContact CB-CE1 3.82Å; A309-F327 HydrophobicContact CB-CE2 3.9Å; A309-F327 HydrophobicContact CB-CG 4.1Å; A309-F327 HydrophobicContact CB-CZ 3.77Å; L312-F327 HydrophobicContact CD2-CE2 4.23Å; L312-F327 HydrophobicContact CD2-CZ 3.76Å; V325-F327 HydrophobicContact CG1-CD2 4.38Å; V325-F327 HydrophobicContact CG1-CE1 4.37Å; V325-F327 HydrophobicContact CG1-CE2 3.88Å; V325-F327 HydrophobicContact CG1-CZ 3.88Å; F327-F329 HydrophobicContact CB-CE2 4.3Å; F327-L498 HydrophobicContact CE1-CD1 3.55Å; F327-L498 HydrophobicContact CZ-CD1 3.94Å
328	V	98.7	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.1	176.3	62.4	0	0	0	0	110.9	V256 W257 V277 A278 A279 T280 Q305 M326 F330 M343	V256-V328 WeakPolarHBondContact O-CA 3.29Å; W257-V328 HydrophobicContact CB-CB 4.44Å; W257-V328 HydrophobicContact CB-CG2 4.33Å; V277-V328 HydrophobicContact CG1-CG1 3.79Å; A278-V328 PolarHBondContact O-N 3.16Å; A279-V328 WeakPolarHBondContact CA-O 3.35Å; A279-V328 HydrophobicContact CB-CG1 3.76Å; T280-V328 PolarHBondContact N-O 3.1Å; T280-V328 VanDerWaalsContact N-O 3.13Å; Q305-V328 PolarHBondContact NE2-O 2.76Å; Q305-V328 VanDerWaalsContact NE2-O 3.16Å; M326-V328 HydrophobicContact CE-CG1 4.48Å; V328-F330 HydrophobicContact CB-CE2 4.48Å; V328-F330 HydrophobicContact CB-CZ 4.19Å; V328-F330 HydrophobicContact CG1-CD2 4.34Å; V328-F330 HydrophobicContact CG1-CE1 4.28Å; V328-F330 HydrophobicContact CG1-CE2 3.56Å; V328-F330 HydrophobicContact CG1-CZ 3.51Å; V328-F330 HydrophobicContact CG2-CD1 3.87Å; V328-F330 HydrophobicContact CG2-CD2 4.46Å; V328-F330 HydrophobicContact CG2-CE1 3.42Å; V328-F330 VanDerWaalsContact CG2-CE1 3.42Å; V328-F330 HydrophobicContact CG2-CE2 4.11Å; V328-F330 HydrophobicContact CG2-CG 4.36Å; V328-F330 HydrophobicContact CG2-CZ 3.56Å; V328-M343 HydrophobicContact CG2-CE 4.02Å
329	F	98.8	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	108.2	179	-57.4	-91.9	0	0	0	107.6	N255 V256 T280 L282 F302 Q305 L306 F327 V567 L571	N255-F329 WeakPolarHBondContact CA-O 3.49Å; V256-F329 HydrophobicContact CB-CB 4.2Å; V256-F329 HydrophobicContact CB-CD2 4.21Å; V256-F329 HydrophobicContact CG1-CD2 4.37Å; V256-F329 PolarHBondContact N-O 2.96Å; V256-F329 VanDerWaalsContact N-O 3.1Å; V256-F329 PolarHBondContact O-N 2.67Å; T280-F329 CarbonylContact O-C 3.56Å; T280-F329 WeakPolarHBondContact O-CA 3.48Å; T280-F329 WeakPolarHBondContact OG1-CD1 3.39Å; L282-F329 HydrophobicContact CB-CB 4.35Å; L282-F329 HydrophobicContact CD2-CB 4.15Å; F302-F329 HydrophobicContact CB-CD1 3.75Å; F302-F329 HydrophobicContact CB-CE1 3.96Å; Q305-F329 HydrophobicContact CB-CE1 3.92Å; Q305-F329 HydrophobicContact CB-CZ 4.27Å; Q305-F329 HydrophobicContact CG-CE1 3.9Å; Q305-F329 HydrophobicContact CG-CZ 3.85Å; L306-F329 HydrophobicContact CD2-CE1 4.14Å; L306-F329 HydrophobicContact CD2-CE2 4.18Å; L306-F329 HydrophobicContact CD2-CZ 3.59Å; L306-F329 HydrophobicContact CG-CE1 3.94Å; L306-F329 HydrophobicContact CG-CZ 3.84Å; F327-F329 HydrophobicContact CB-CE2 4.3Å; F329-V567 HydrophobicContact CD1-CG1 4.37Å; F329-V567 HydrophobicContact CD2-CG1 4.29Å; F329-V567 HydrophobicContact CG-CG1 4.14Å; F329-L571 HydrophobicContact CD2-CD2 4.26Å; F329-L571 HydrophobicContact CE2-CD1 4.25Å; F329-L571 HydrophobicContact CE2-CD2 3.73Å
330	F	98.7	Very high	97.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.9	-171.9	-66.8	-64.2	0	0	0	112	N255 A279 T280 L282 V328 E333 M343 F362 S426 F430	N255-F330 HydrophobicContact CB-CD1 4.48Å; N255-F330 WeakPolarHBondContact OD1-CA 3.2Å; A279-F330 HydrophobicContact CB-CD2 4.2Å; A279-F330 HydrophobicContact CB-CE2 3.7Å; T280-F330 PolarHBondContact O-N 2.92Å; L282-F330 WeakPolarHBondContact CB-O 3.48Å; L282-F330 PolarHBondContact N-O 3.35Å; V328-F330 HydrophobicContact CB-CE2 4.48Å; V328-F330 HydrophobicContact CB-CZ 4.19Å; V328-F330 HydrophobicContact CG1-CD2 4.34Å; V328-F330 HydrophobicContact CG1-CE1 4.28Å; V328-F330 HydrophobicContact CG1-CE2 3.56Å; V328-F330 HydrophobicContact CG1-CZ 3.51Å; V328-F330 HydrophobicContact CG2-CD1 3.87Å; V328-F330 HydrophobicContact CG2-CD2 4.46Å; V328-F330 HydrophobicContact CG2-CE1 3.42Å; V328-F330 VanDerWaalsContact CG2-CE1 3.42Å; V328-F330 HydrophobicContact CG2-CE2 4.11Å; V328-F330 HydrophobicContact CG2-CG 4.36Å; V328-F330 HydrophobicContact CG2-CZ 3.56Å; F330-E333 HydrophobicContact CB-CG 3.61Å; F330-E333 WeakPolarHBondContact CB-OE1 3.11Å; F330-M343 HydrophobicContact CE1-CB 3.7Å; F330-M343 HydrophobicContact CE1-CE 4.21Å; F330-M343 HydrophobicContact CE1-CG 3.91Å; F330-M343 HydrophobicContact CZ-CB 4.46Å; F330-M343 HydrophobicContact CZ-CG 4.38Å; F330-F362 HydrophobicContact CE2-CZ 4.46Å; F330-S426 VanDerWaalsContact CD2-OG 3.29Å; F330-S426 WeakPolarHBondContact CD2-OG 3.19Å; F330-F430 HydrophobicContact CE2-CE2 4.1Å; F330-F430 AromaticContact CZ-CE2 3.67Å; F330-F430 HydrophobicContact CZ-CE2 3.67Å; F330-F430 AromaticContact CZ-CZ 3.89Å; F330-F430 HydrophobicContact CZ-CZ 3.89Å
331	Q	97.8	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-89.2	136	171.4	-84.9	-70.8	10.2	0	0	110.9	D253 Y254 N255 L282 G339 T561 T564 A630	D253-Q331 HydrophobicContact CB-CB 4.17Å; D253-Q331 HydrophobicContact CB-CG 4.19Å; Y254-Q331 WeakPolarHBondContact O-CG 3.19Å; N255-Q331 PolarHBondContact OD1-N 2.89Å; L282-Q331 HydrophobicContact CB-CG 4.32Å; L282-Q331 HydrophobicContact CD2-CG 3.95Å; L282-Q331 HydrophobicContact CG-CG 4.35Å; Q331-G339 WeakPolarHBondContact O-CA 3.06Å; Q331-G339 PolarHBondContact O-N 2.82Å; Q331-T561 PolarHBondContact NE2-OG1 3.43Å; Q331-T564 PolarHBondContact NE2-OG1 2.95Å; Q331-A630 HydrophobicContact CB-CB 4.34Å
332	G	97	Very high	97.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.			trans	86.2	22.3	175.1	0	0	0	0	0	114.8	D283 T334 F335 I338	D283-G332 PolarHBondContact OD1-N 2.83Å; D283-G332 VanDerWaalsContact OD2-C 3.26Å; D283-G332 WeakPolarHBondContact OD2-CA 3.46Å; D283-G332 PolarHBondContact OD2-N 2.81Å; G332-T334 PolarHBondContact O-N 3.37Å; G332-F335 PolarHBondContact O-N 3.46Å; G332-I338 PolarHBondContact O-N 2.92Å
333	E	98.3	Very high	97.9	Very high	5 Å²	5	8.2 Å²	8.2	2%	0.023	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23	175	-60.2	-57.4	107.2	0	0	111.5	N142 R281 D283 F330 F335 Y337 S340 S426	N142-E333 PolarHBondContact ND2-O 3.46Å; R281-E333 HydrophobicContact CB-CB 4.22Å; R281-E333 HydrophobicContact CB-CG 4.15Å; R281-E333 HydrophobicContact CG-CB 3.71Å; R281-E333 HydrophobicContact CG-CG 4.04Å; D283-E333 PolarHBondContact OD1-N 3.2Å; D283-E333 PolarHBondContact OD2-N 3.48Å; F330-E333 HydrophobicContact CB-CG 3.61Å; F330-E333 WeakPolarHBondContact CB-OE1 3.11Å; E333-F335 PolarHBondContact O-N 2.84Å; E333-Y337 HydrophobicContact CB-CD1 4.46Å; E333-Y337 WeakPolarHBondContact OE2-CD1 3.26Å; E333-S340 VanDerWaalsContact CD-OG 3.24Å; E333-S340 VanDerWaalsContact OE1-CB 3.28Å; E333-S340 WeakPolarHBondContact OE1-CB 3.41Å; E333-S340 PolarHBondContact OE1-N 2.87Å; E333-S340 PolarHBondContact OE1-OG 3.42Å; E333-S340 WeakPolarHBondContact OE2-CB 3.2Å; E333-S340 PolarHBondContact OE2-OG 2.87Å; E333-S426 PolarHBondContact OE2-OG 3.11Å; E333-S426 VanDerWaalsContact OE2-OG 3.07Å
334	T	97.1	Very high	98.1	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.012	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.4	175.8	-158.1	0	0	0	0	114.4	R281 D283 R285 G332 Q454	R281-T334 VanDerWaalsContact CZ-CB 3.44Å; R281-T334 VanDerWaalsContact NH2-CB 3.28Å; R281-T334 PolarHBondContact NH2-OG1 3.5Å; D283-T334 WeakPolarHBondContact OD2-CB 3.47Å; D283-T334 WeakPolarHBondContact OD2-CG2 3Å; D283-T334 PolarHBondContact OD2-N 3.09Å; R285-T334 HydrophobicContact CB-CG2 4.1Å; R285-T334 HydrophobicContact CG-CG2 3.87Å; G332-T334 PolarHBondContact O-N 3.37Å; T334-Q454 PolarHBondContact OG1-NE2 2.97Å
335	F	96.7	Very high	98.1	Very high	1 Å²	1	4.2 Å²	4.2	0%	0.004	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	59.5	-173.9	-73.6	-72	0	0	0	111	L53 L251 R285 G332 E333 Y337 I338 Y554 I555 S646 W648	L53-F335 HydrophobicContact CD2-CD1 4.35Å; L53-F335 HydrophobicContact CD2-CE1 3.35Å; L53-F335 HydrophobicContact CD2-CZ 3.65Å; L251-F335 HydrophobicContact CD1-CD1 3.97Å; L251-F335 HydrophobicContact CD1-CD2 3.91Å; L251-F335 HydrophobicContact CD1-CE1 4Å; L251-F335 HydrophobicContact CD1-CE2 3.96Å; L251-F335 HydrophobicContact CD1-CG 3.93Å; L251-F335 HydrophobicContact CD1-CZ 4.01Å; R285-F335 HydrophobicContact CB-CE2 4.47Å; R285-F335 HydrophobicContact CB-CZ 4.33Å; G332-F335 PolarHBondContact O-N 3.46Å; E333-F335 PolarHBondContact O-N 2.84Å; F335-Y337 VanDerWaalsContact C-N 3.3Å; F335-Y337 PolarHBondContact O-N 2.88Å; F335-I338 HydrophobicContact CB-CD1 3.59Å; F335-I338 HydrophobicContact CB-CG1 4.15Å; F335-I338 VanDerWaalsContact O-CG1 3.28Å; F335-I338 WeakPolarHBondContact O-CG1 3.44Å; F335-Y554 HydrophobicContact CE2-CD2 4.28Å; F335-Y554 AromaticContact CE2-CE2 3.88Å; F335-Y554 HydrophobicContact CE2-CE2 3.88Å; F335-Y554 HydrophobicContact CZ-CD2 4.46Å; F335-Y554 AromaticContact CZ-CE2 3.78Å; F335-Y554 HydrophobicContact CZ-CE2 3.78Å; F335-I555 HydrophobicContact CD2-CG2 3.33Å; F335-I555 HydrophobicContact CE2-CG2 3.52Å; F335-S646 PolarHBondContact O-OG 3.47Å; F335-W648 HydrophobicContact CB-CB 4.35Å; F335-W648 HydrophobicContact CB-CG 4.03Å; F335-W648 HydrophobicContact CD1-CB 4.27Å; F335-W648 AromaticContact CD1-CD1 3.97Å; F335-W648 AromaticContact CD1-CD2 3.87Å; F335-W648 HydrophobicContact CD1-CD2 3.87Å; F335-W648 HydrophobicContact CD1-CE3 4.44Å; F335-W648 AromaticContact CD1-CG 3.77Å; F335-W648 HydrophobicContact CD1-CG 3.77Å; F335-W648 HydrophobicContact CG-CG 4.3Å
336	D	97.3	Very high	98.1	Very high	17 Å²	17	5 Å²	5	9%	0.091	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	39.2	178.8	-58.6	-31.9	0	0	0	113.2	N142 F145 S646 W648	N142-D336 WeakPolarHBondContact ND2-CA 3.49Å; N142-D336 PolarHBondContact ND2-N 2.93Å; F145-D336 HydrophobicContact CB-CB 4.06Å; F145-D336 HydrophobicContact CD1-CB 3.8Å; F145-D336 HydrophobicContact CD2-CB 3.51Å; F145-D336 WeakPolarHBondContact CD2-OD1 3.38Å; F145-D336 HydrophobicContact CE1-CB 4.05Å; F145-D336 HydrophobicContact CE2-CB 3.77Å; F145-D336 WeakPolarHBondContact CE2-OD2 3.48Å; F145-D336 HydrophobicContact CG-CB 3.52Å; F145-D336 HydrophobicContact CZ-CB 4.03Å; D336-S646 WeakPolarHBondContact O-CB 3.46Å; D336-W648 PolarHBondContact OD2-NE1 2.97Å
337	Y	98.3	Very high	98	Very high	4 Å²	4	5 Å²	5	2%	0.016	2%	0.023	C	C	.	.	S	Bend	trans	62.6	48.2	170.7	-49.9	-66.1	0	0	0	114.7	N142 F145 E333 F335 G339 S341 P424 S425 R429	N142-Y337 HydrophobicContact CB-CD2 4.11Å; N142-Y337 HydrophobicContact CB-CE1 4.32Å; N142-Y337 HydrophobicContact CB-CE2 3.44Å; N142-Y337 VanDerWaalsContact CB-CE2 3.44Å; N142-Y337 PolarHBondContact ND2-N 3.43Å; F145-Y337 HydrophobicContact CB-CD2 3.9Å; F145-Y337 HydrophobicContact CB-CE2 4.26Å; E333-Y337 HydrophobicContact CB-CD1 4.46Å; E333-Y337 WeakPolarHBondContact OE2-CD1 3.26Å; F335-Y337 VanDerWaalsContact C-N 3.3Å; F335-Y337 PolarHBondContact O-N 2.88Å; Y337-G339 PolarHBondContact O-N 3.3Å; Y337-S341 WeakPolarHBondContact O-CB 3.44Å; Y337-S341 PolarHBondContact O-N 2.91Å; Y337-P424 VanDerWaalsContact OH-CA 3.22Å; Y337-P424 WeakPolarHBondContact OH-CA 3.22Å; Y337-P424 WeakPolarHBondContact OH-CB 3.3Å; Y337-S425 WeakPolarHBondContact CE1-O 3.29Å; Y337-S425 PolarHBondContact OH-N 3.15Å; Y337-S425 VanDerWaalsContact OH-N 3.13Å; Y337-R429 HydrophobicContact CD1-CG 4.27Å; Y337-R429 HydrophobicContact CD2-CG 3.86Å; Y337-R429 HydrophobicContact CG-CG 3.6Å
338	I	98.2	Very high	97.9	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-55.5	-50.7	-179.3	-64.2	172	0	0	0	110.8	L251 G332 F335 R342 I555 S646	L251-I338 HydrophobicContact CB-CD1 3.9Å; G332-I338 PolarHBondContact O-N 2.92Å; F335-I338 HydrophobicContact CB-CD1 3.59Å; F335-I338 HydrophobicContact CB-CG1 4.15Å; F335-I338 VanDerWaalsContact O-CG1 3.28Å; F335-I338 WeakPolarHBondContact O-CG1 3.44Å; I338-R342 VanDerWaalsContact O-CB 3.26Å; I338-R342 WeakPolarHBondContact O-CB 3.49Å; I338-R342 PolarHBondContact O-N 2.89Å; I338-R342 VanDerWaalsContact O-N 3.12Å; I338-I555 HydrophobicContact CD1-CD1 4.34Å; I338-S646 WeakPolarHBondContact CG1-OG 3.12Å
339	G	97.8	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-71.7	-52.2	-172.6	0	0	0	0	0	113.4	N255 Q331 Y337 R342 M343	N255-G339 PolarHBondContact ND2-O 2.91Å; N255-G339 WeakPolarHBondContact OD1-CA 3.27Å; Q331-G339 WeakPolarHBondContact O-CA 3.06Å; Q331-G339 PolarHBondContact O-N 2.82Å; Y337-G339 PolarHBondContact O-N 3.3Å; G339-R342 PolarHBondContact O-N 3.39Å; G339-M343 PolarHBondContact O-N 3.17Å
340	S	98.3	Very high	97.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.4	-38.1	-179.4	63.2	0	0	0	0	112	E333 R342 M343 V344 R429	E333-S340 VanDerWaalsContact CD-OG 3.24Å; E333-S340 VanDerWaalsContact OE1-CB 3.28Å; E333-S340 WeakPolarHBondContact OE1-CB 3.41Å; E333-S340 PolarHBondContact OE1-N 2.87Å; E333-S340 PolarHBondContact OE1-OG 3.42Å; E333-S340 WeakPolarHBondContact OE2-CB 3.2Å; E333-S340 PolarHBondContact OE2-OG 2.87Å; S340-R342 VanDerWaalsContact C-N 3.3Å; S340-R342 PolarHBondContact O-N 3.11Å; S340-M343 WeakPolarHBondContact O-CB 3.16Å; S340-M343 PolarHBondContact O-N 3.34Å; S340-V344 WeakPolarHBondContact O-CG2 3.32Å; S340-V344 PolarHBondContact O-N 3.41Å; S340-R429 WeakPolarHBondContact OG-CG 3.45Å
341	S	98.4	Very high	97.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-35.7	173.6	-171.2	0	0	0	0	112.3	Y337 Y345 R429 Y645	Y337-S341 WeakPolarHBondContact O-CB 3.44Å; Y337-S341 PolarHBondContact O-N 2.91Å; S341-Y345 WeakPolarHBondContact O-CB 3.48Å; S341-Y345 PolarHBondContact O-N 3.48Å; S341-Y345 VanDerWaalsContact O-N 3.11Å; S341-R429 PolarHBondContact OG-NH2 3.43Å; S341-Y645 WeakPolarHBondContact OG-CD1 3.04Å
342	R	98.3	Very high	97.5	Very high	28 Å²	28	23.4 Å²	23.4	11%	0.106	12%	0.116	C	C	.	.	H	α-helix	trans	-67.7	-41.1	174.9	177.7	53.1	-174.1	-164.6	14.1	111.4	I338 G339 S340 Y345 D346 R629 L631	I338-R342 VanDerWaalsContact O-CB 3.26Å; I338-R342 WeakPolarHBondContact O-CB 3.49Å; I338-R342 PolarHBondContact O-N 2.89Å; I338-R342 VanDerWaalsContact O-N 3.12Å; G339-R342 PolarHBondContact O-N 3.39Å; S340-R342 VanDerWaalsContact C-N 3.3Å; S340-R342 PolarHBondContact O-N 3.11Å; R342-Y345 PolarHBondContact O-N 3.33Å; R342-D346 IonicContact CZ-OD1 2.97Å; R342-D346 IonicContact CZ-OD2 3.92Å; R342-D346 VanDerWaalsContact NE-CG 3.34Å; R342-D346 IonicContact NE-OD1 3.21Å; R342-D346 PolarHBondContact NE-OD1 3.36Å; R342-D346 IonicContact NE-OD2 2.82Å; R342-D346 PolarHBondContact NE-OD2 2.64Å; R342-D346 IonicContact NH1-OD1 3.37Å; R342-D346 IonicContact NH2-OD1 2.98Å; R342-D346 PolarHBondContact NH2-OD1 2.87Å; R342-D346 IonicContact NH2-OD2 2.85Å; R342-D346 PolarHBondContact NH2-OD2 2.98Å; R342-D346 PolarHBondContact O-N 3.3Å; R342-R629 WeakPolarHBondContact CG-O 3.31Å; R342-L631 WeakPolarHBondContact CB-O 3.11Å; R342-L631 WeakPolarHBondContact CD-O 3.38Å; R342-L631 VanDerWaalsContact CG-O 3.23Å; R342-L631 WeakPolarHBondContact CG-O 3.21Å
343	M	98.4	Very high	97.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-50.6	175.5	-174.1	64.4	81.6	0	0	111.6	N255 V328 F330 G339 S340 Y345 D346 M347 F352 F430 A628	N255-M343 HydrophobicContact CB-CE 4.4Å; V328-M343 HydrophobicContact CG2-CE 4.02Å; F330-M343 HydrophobicContact CE1-CB 3.7Å; F330-M343 HydrophobicContact CE1-CE 4.21Å; F330-M343 HydrophobicContact CE1-CG 3.91Å; F330-M343 HydrophobicContact CZ-CB 4.46Å; F330-M343 HydrophobicContact CZ-CG 4.38Å; G339-M343 PolarHBondContact O-N 3.17Å; S340-M343 WeakPolarHBondContact O-CB 3.16Å; S340-M343 PolarHBondContact O-N 3.34Å; M343-Y345 VanDerWaalsContact C-N 3.29Å; M343-Y345 PolarHBondContact O-N 2.99Å; M343-D346 PolarHBondContact O-N 3.44Å; M343-D346 VanDerWaalsContact O-N 3.15Å; M343-M347 HydrophobicContact CG-CE 3.78Å; M343-M347 HydrophobicContact CG-CG 4.48Å; M343-M347 HydrophobicContact CG-SD 4.33Å; M343-M347 VanDerWaalsContact O-CG 3.3Å; M343-M347 WeakPolarHBondContact O-CG 3.31Å; M343-M347 PolarHBondContact O-N 3.17Å; M343-M347 HydrophobicContact SD-CE 4.03Å; M343-F352 HydrophobicContact CE-CE1 4.38Å; M343-F352 HydrophobicContact CE-CE2 3.62Å; M343-F352 HydrophobicContact CE-CZ 3.45Å; M343-F352 VanDerWaalsContact CE-CZ 3.45Å; M343-F352 HydrophobicContact SD-CD1 4Å; M343-F352 HydrophobicContact SD-CD2 3.75Å; M343-F352 HydrophobicContact SD-CE1 3.6Å; M343-F352 HydrophobicContact SD-CE2 3.31Å; M343-F352 WeakPolarHBondContact SD-CE2 3.28Å; M343-F352 HydrophobicContact SD-CG 4.03Å; M343-F352 HydrophobicContact SD-CZ 3.15Å; M343-F352 WeakPolarHBondContact SD-CZ 3.4Å; M343-F430 HydrophobicContact CG-CZ 4.18Å; M343-A628 HydrophobicContact CE-CB 4.08Å
344	V	98.4	Very high	97.4	Very high	12 Å²	12	23.7 Å²	23.7	7%	0.073	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-43	178	172.4	0	0	0	0	111.2	S340 M347 E348 R429 F430 A433	S340-V344 WeakPolarHBondContact O-CG2 3.32Å; S340-V344 PolarHBondContact O-N 3.41Å; V344-M347 PolarHBondContact O-N 3.13Å; V344-E348 WeakPolarHBondContact O-CB 3.45Å; V344-E348 PolarHBondContact O-N 3.18Å; V344-R429 HydrophobicContact CG2-CB 4.43Å; V344-F430 HydrophobicContact CG2-CB 4.49Å; V344-F430 HydrophobicContact CG2-CD1 3.92Å; V344-F430 HydrophobicContact CG2-CD2 3.83Å; V344-F430 HydrophobicContact CG2-CE1 4.01Å; V344-F430 HydrophobicContact CG2-CE2 3.91Å; V344-F430 HydrophobicContact CG2-CG 3.82Å; V344-F430 HydrophobicContact CG2-CZ 3.99Å; V344-A433 HydrophobicContact CG1-CB 3.5Å; V344-A433 VanDerWaalsContact CG1-CB 3.5Å
345	Y	98.2	Very high	97.4	Very high	14 Å²	14	25 Å²	25	6%	0.055	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-45.5	175.8	179	-98.9	0	0	0	112.4	S341 R342 M343 M347 E348 K349 P633 E636 L637	S341-Y345 WeakPolarHBondContact O-CB 3.48Å; S341-Y345 PolarHBondContact O-N 3.48Å; S341-Y345 VanDerWaalsContact O-N 3.11Å; R342-Y345 PolarHBondContact O-N 3.33Å; M343-Y345 VanDerWaalsContact C-N 3.29Å; M343-Y345 PolarHBondContact O-N 2.99Å; Y345-M347 VanDerWaalsContact C-N 3.34Å; Y345-M347 PolarHBondContact O-N 3.42Å; Y345-E348 PolarHBondContact O-N 2.96Å; Y345-K349 HydrophobicContact CD1-CG 4.36Å; Y345-K349 HydrophobicContact CD2-CG 4.23Å; Y345-K349 HydrophobicContact CE1-CG 4.11Å; Y345-K349 HydrophobicContact CE2-CD 4.44Å; Y345-K349 HydrophobicContact CE2-CG 3.94Å; Y345-K349 HydrophobicContact CG-CG 4.44Å; Y345-K349 WeakPolarHBondContact O-CB 3.34Å; Y345-K349 VanDerWaalsContact O-CG 3.3Å; Y345-K349 WeakPolarHBondContact O-CG 3.22Å; Y345-K349 PolarHBondContact O-N 3.09Å; Y345-P633 HydrophobicContact CD1-CB 4.23Å; Y345-P633 HydrophobicContact CD1-CG 4.22Å; Y345-P633 HydrophobicContact CD2-CB 3.98Å; Y345-P633 HydrophobicContact CD2-CG 4.22Å; Y345-P633 HydrophobicContact CE2-CB 4.34Å; Y345-P633 HydrophobicContact CG-CB 3.92Å; Y345-P633 HydrophobicContact CG-CG 3.77Å; Y345-E636 PolarHBondContact OH-OE2 3.49Å; Y345-L637 HydrophobicContact CE2-CD1 4.45Å; Y345-L637 WeakPolarHBondContact OH-CD2 3.43Å
346	D	97.9	Very high	97.3	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.08	13%	0.128	C	C	.	.	H	α-helix	trans	-68.4	-33.5	179.2	-72.5	-28.7	0	0	0	112.1	R342 M343 G350 K351 F352	R342-D346 IonicContact CZ-OD1 2.97Å; R342-D346 IonicContact CZ-OD2 3.92Å; R342-D346 VanDerWaalsContact NE-CG 3.34Å; R342-D346 IonicContact NE-OD1 3.21Å; R342-D346 PolarHBondContact NE-OD1 3.36Å; R342-D346 IonicContact NE-OD2 2.82Å; R342-D346 PolarHBondContact NE-OD2 2.64Å; R342-D346 IonicContact NH1-OD1 3.37Å; R342-D346 IonicContact NH2-OD1 2.98Å; R342-D346 PolarHBondContact NH2-OD1 2.87Å; R342-D346 IonicContact NH2-OD2 2.85Å; R342-D346 PolarHBondContact NH2-OD2 2.98Å; R342-D346 PolarHBondContact O-N 3.3Å; M343-D346 PolarHBondContact O-N 3.44Å; M343-D346 VanDerWaalsContact O-N 3.15Å; D346-G350 PolarHBondContact O-N 3.46Å; D346-K351 HydrophobicContact CB-CB 4.17Å; D346-K351 PolarHBondContact O-N 3.1Å; D346-F352 HydrophobicContact CB-CB 4.07Å; D346-F352 PolarHBondContact O-N 2.98Å
347	M	97.7	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-43.9	171.2	-67.5	-175.4	170.8	0	0	112	M326 M343 V344 Y345 G350 F352 V354 Q355 L356 F430	M326-M347 HydrophobicContact CE-CE 3.9Å; M343-M347 HydrophobicContact CG-CE 3.78Å; M343-M347 HydrophobicContact CG-CG 4.48Å; M343-M347 HydrophobicContact CG-SD 4.33Å; M343-M347 VanDerWaalsContact O-CG 3.3Å; M343-M347 WeakPolarHBondContact O-CG 3.31Å; M343-M347 PolarHBondContact O-N 3.17Å; M343-M347 HydrophobicContact SD-CE 4.03Å; V344-M347 PolarHBondContact O-N 3.13Å; Y345-M347 VanDerWaalsContact C-N 3.34Å; Y345-M347 PolarHBondContact O-N 3.42Å; M347-G350 PolarHBondContact O-N 3.25Å; M347-F352 HydrophobicContact CE-CD1 3.75Å; M347-F352 HydrophobicContact CE-CE1 3.47Å; M347-F352 VanDerWaalsContact CE-CE1 3.47Å; M347-F352 HydrophobicContact CE-CZ 4.38Å; M347-F352 HydrophobicContact CG-CB 4.3Å; M347-F352 HydrophobicContact CG-CD1 3.84Å; M347-F352 HydrophobicContact CG-CE1 4.49Å; M347-F352 HydrophobicContact CG-CG 4.37Å; M347-V354 HydrophobicContact CE-CB 4.38Å; M347-V354 VanDerWaalsContact CG-O 3.29Å; M347-V354 WeakPolarHBondContact CG-O 3.18Å; M347-Q355 PolarHBondContact O-OE1 3.35Å; M347-L356 HydrophobicContact CB-CB 4.43Å; M347-L356 HydrophobicContact SD-CD1 4.46Å; M347-F430 HydrophobicContact CE-CE1 4.2Å; M347-F430 HydrophobicContact CE-CZ 4.48Å; M347-F430 HydrophobicContact SD-CE1 3.73Å; M347-F430 HydrophobicContact SD-CZ 4.38Å
348	E	96.9	Very high	97.2	Very high	111 Å²	111	28.4 Å²	28.4	52%	0.519	14%	0.14	S	C	.	.	H	α-helix	trans	-68.9	-35.3	179.7	-170.2	-171.1	-163.9	0	0	112.3	V344 Y345 G350	V344-E348 WeakPolarHBondContact O-CB 3.45Å; V344-E348 PolarHBondContact O-N 3.18Å; Y345-E348 PolarHBondContact O-N 2.96Å; E348-G350 VanDerWaalsContact C-N 3.31Å
349	K	96.4	Very high	97.1	Very high	111 Å²	111	28.6 Å²	28.6	48%	0.483	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	0.9	178.5	-61.7	-53.4	179.6	-158.6	0	114	Y345 K351	Y345-K349 HydrophobicContact CD1-CG 4.36Å; Y345-K349 HydrophobicContact CD2-CG 4.23Å; Y345-K349 HydrophobicContact CE1-CG 4.11Å; Y345-K349 HydrophobicContact CE2-CD 4.44Å; Y345-K349 HydrophobicContact CE2-CG 3.94Å; Y345-K349 HydrophobicContact CG-CG 4.44Å; Y345-K349 WeakPolarHBondContact O-CB 3.34Å; Y345-K349 VanDerWaalsContact O-CG 3.3Å; Y345-K349 WeakPolarHBondContact O-CG 3.22Å; Y345-K349 PolarHBondContact O-N 3.09Å; K349-K351 HydrophobicContact CB-CD 4.4Å; K349-K351 HydrophobicContact CB-CG 4.22Å; K349-K351 PolarHBondContact O-N 3.06Å
350	G	95.1	Very high	97.1	Very high	37 Å²	37	30.9 Å²	30.9	38%	0.381	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	20.1	-178	0	0	0	0	0	114.4	D346 M347 E348 F352	D346-G350 PolarHBondContact O-N 3.46Å; M347-G350 PolarHBondContact O-N 3.25Å; E348-G350 VanDerWaalsContact C-N 3.31Å; G350-F352 VanDerWaalsContact C-N 3.32Å
351	K	95.8	Very high	97	Very high	119 Å²	119	31.3 Å²	31.3	52%	0.517	16%	0.156	S	C	.	.			trans	-91	4.9	177.9	-64.7	-178.9	-179	176.2	0	112.8	D346 K349 E636	D346-K351 HydrophobicContact CB-CB 4.17Å; D346-K351 PolarHBondContact O-N 3.1Å; K349-K351 HydrophobicContact CB-CD 4.4Å; K349-K351 HydrophobicContact CB-CG 4.22Å; K349-K351 PolarHBondContact O-N 3.06Å; K351-E636 IonicContact NZ-OE1 2.64Å; K351-E636 PolarHBondContact NZ-OE1 2.92Å
352	F	96.8	Very high	97	Very high	11 Å²	11	31.2 Å²	31.2	5%	0.048	16%	0.156	C	C	.	.	S	Bend	trans	-131.7	142.7	178.4	-166.7	-105.3	0	0	0	109.5	W257 M326 M343 D346 M347 G350 V354 Q355 A628	W257-F352 AromaticContact CD2-CE2 3.87Å; W257-F352 HydrophobicContact CD2-CE2 3.87Å; W257-F352 AromaticContact CD2-CZ 3.7Å; W257-F352 HydrophobicContact CD2-CZ 3.7Å; W257-F352 AromaticContact CE2-CE2 3.88Å; W257-F352 AromaticContact CE3-CE1 3.78Å; W257-F352 HydrophobicContact CE3-CE1 3.78Å; W257-F352 AromaticContact CE3-CE2 3.53Å; W257-F352 HydrophobicContact CE3-CE2 3.53Å; W257-F352 AromaticContact CE3-CZ 2.98Å; W257-F352 HydrophobicContact CE3-CZ 2.98Å; W257-F352 HydrophobicContact CH2-CD1 4.5Å; W257-F352 AromaticContact CH2-CD2 3.75Å; W257-F352 HydrophobicContact CH2-CD2 3.75Å; W257-F352 HydrophobicContact CH2-CE1 4.02Å; W257-F352 AromaticContact CH2-CE2 3.16Å; W257-F352 HydrophobicContact CH2-CE2 3.16Å; W257-F352 HydrophobicContact CH2-CG 4.42Å; W257-F352 AromaticContact CH2-CZ 3.39Å; W257-F352 HydrophobicContact CH2-CZ 3.39Å; W257-F352 HydrophobicContact CZ2-CD2 4.28Å; W257-F352 AromaticContact CZ2-CE2 3.57Å; W257-F352 HydrophobicContact CZ2-CE2 3.57Å; W257-F352 HydrophobicContact CZ2-CZ 4.08Å; W257-F352 HydrophobicContact CZ3-CD1 4.13Å; W257-F352 HydrophobicContact CZ3-CD2 4.03Å; W257-F352 AromaticContact CZ3-CE1 3.31Å; W257-F352 HydrophobicContact CZ3-CE1 3.31Å; W257-F352 AromaticContact CZ3-CE2 3.17Å; W257-F352 HydrophobicContact CZ3-CE2 3.17Å; W257-F352 HydrophobicContact CZ3-CG 4.48Å; W257-F352 AromaticContact CZ3-CZ 2.8Å; W257-F352 HydrophobicContact CZ3-CZ 2.8Å; M326-F352 HydrophobicContact SD-CE1 4.12Å; M326-F352 HydrophobicContact SD-CZ 4.36Å; M343-F352 HydrophobicContact CE-CE1 4.38Å; M343-F352 HydrophobicContact CE-CE2 3.62Å; M343-F352 HydrophobicContact CE-CZ 3.45Å; M343-F352 VanDerWaalsContact CE-CZ 3.45Å; M343-F352 HydrophobicContact SD-CD1 4Å; M343-F352 HydrophobicContact SD-CD2 3.75Å; M343-F352 HydrophobicContact SD-CE1 3.6Å; M343-F352 HydrophobicContact SD-CE2 3.31Å; M343-F352 WeakPolarHBondContact SD-CE2 3.28Å; M343-F352 HydrophobicContact SD-CG 4.03Å; M343-F352 HydrophobicContact SD-CZ 3.15Å; M343-F352 WeakPolarHBondContact SD-CZ 3.4Å; D346-F352 HydrophobicContact CB-CB 4.07Å; D346-F352 PolarHBondContact O-N 2.98Å; M347-F352 HydrophobicContact CE-CD1 3.75Å; M347-F352 HydrophobicContact CE-CE1 3.47Å; M347-F352 VanDerWaalsContact CE-CE1 3.47Å; M347-F352 HydrophobicContact CE-CZ 4.38Å; M347-F352 HydrophobicContact CG-CB 4.3Å; M347-F352 HydrophobicContact CG-CD1 3.84Å; M347-F352 HydrophobicContact CG-CE1 4.49Å; M347-F352 HydrophobicContact CG-CG 4.37Å; G350-F352 VanDerWaalsContact C-N 3.32Å; F352-V354 HydrophobicContact CD1-CB 3.97Å; F352-V354 WeakPolarHBondContact CD1-O 3.47Å; F352-V354 HydrophobicContact CE1-CB 3.89Å; F352-V354 HydrophobicContact CE1-CG2 4.16Å; F352-V354 PolarHBondContact O-N 2.83Å; F352-Q355 PolarHBondContact O-NE2 3.4Å; F352-A628 HydrophobicContact CE2-CB 4.06Å
353	P	96.3	Very high	97	Very high	10 Å²	10	29.9 Å²	29.9	7%	0.065	15%	0.151	C	C	.	.	S	Bend	trans	-67.3	-34.7	-172.8	25.7	-35	0	0	0	113	W257 I263 G267 T268 L269	W257-P353 HydrophobicContact CH2-CG 3.33Å; W257-P353 HydrophobicContact CZ2-CG 4.49Å; W257-P353 HydrophobicContact CZ3-CG 3.77Å; I263-P353 HydrophobicContact CD1-CB 4.17Å; I263-P353 HydrophobicContact CD1-CG 4.13Å; G267-P353 WeakPolarHBondContact O-CA 3.45Å; G267-P353 VanDerWaalsContact O-CB 3.25Å; G267-P353 WeakPolarHBondContact O-CB 3.3Å; T268-P353 CarbonylContact C-O 3.48Å; T268-P353 WeakPolarHBondContact CA-O 3.26Å; L269-P353 PolarHBondContact N-O 3.15Å
354	V	97.1	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-85	118.2	174.6	-173.9	0	0	0	0	108.8	M259 I263 L269 V275 M326 M347 F352 N358	M259-V354 HydrophobicContact CE-CG2 4.49Å; M259-V354 HydrophobicContact SD-CG2 4.29Å; I263-V354 HydrophobicContact CD1-CG2 4.07Å; L269-V354 HydrophobicContact CD1-CB 4.39Å; L269-V354 HydrophobicContact CD1-CG1 4.47Å; L269-V354 HydrophobicContact CD1-CG2 3.87Å; V275-V354 HydrophobicContact CB-CG1 4.45Å; V275-V354 HydrophobicContact CG2-CG1 4.3Å; M326-V354 HydrophobicContact SD-CB 4.45Å; M326-V354 HydrophobicContact SD-CG2 3.92Å; M347-V354 HydrophobicContact CE-CB 4.38Å; M347-V354 VanDerWaalsContact CG-O 3.29Å; M347-V354 WeakPolarHBondContact CG-O 3.18Å; F352-V354 HydrophobicContact CD1-CB 3.97Å; F352-V354 WeakPolarHBondContact CD1-O 3.47Å; F352-V354 HydrophobicContact CE1-CB 3.89Å; F352-V354 HydrophobicContact CE1-CG2 4.16Å; F352-V354 PolarHBondContact O-N 2.83Å; V354-N358 HydrophobicContact CG1-CB 4.01Å
355	Q	96.5	Very high	97	Very high	29 Å²	29	29.5 Å²	29.5	14%	0.136	15%	0.148	C	C	.	.			trans	-82.6	159	175.2	-60.4	-62.4	-57.5	0	0	110.8	T268 M347 F352 E357 N358	T268-Q355 HydrophobicContact CG2-CG 4.47Å; M347-Q355 PolarHBondContact O-OE1 3.35Å; F352-Q355 PolarHBondContact O-NE2 3.4Å; Q355-E357 HydrophobicContact CB-CG 3.69Å; Q355-E357 PolarHBondContact O-N 2.91Å; Q355-E357 VanDerWaalsContact O-N 3.12Å; Q355-N358 VanDerWaalsContact CB-OD1 3.31Å; Q355-N358 WeakPolarHBondContact CB-OD1 3.44Å; Q355-N358 PolarHBondContact N-OD1 3.41Å; Q355-N358 WeakPolarHBondContact O-CB 3.07Å; Q355-N358 PolarHBondContact O-N 2.76Å
356	L	95.7	Very high	97	Very high	18 Å²	18	30 Å²	30	9%	0.094	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.5	176	-165.6	63.1	0	0	0	112.3	M347 F430 A433 R434	M347-L356 HydrophobicContact CB-CB 4.43Å; M347-L356 HydrophobicContact SD-CD1 4.46Å; L356-F430 HydrophobicContact CD1-CD1 3.75Å; L356-F430 HydrophobicContact CD1-CE1 4.28Å; L356-A433 HydrophobicContact CD2-CB 3.57Å; L356-R434 HydrophobicContact CD2-CB 3.5Å; L356-R434 VanDerWaalsContact CD2-CB 3.5Å; L356-R434 HydrophobicContact CG-CB 3.84Å; L356-R434 WeakPolarHBondContact O-CD 3.46Å
357	E	95.6	Very high	96.9	Very high	76 Å²	76	29.8 Å²	29.8	36%	0.355	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.7	173.1	63	180	-175.9	0	0	115.6	R274 Q355 V359	R274-E357 PolarHBondContact NH1-O 2.97Å; Q355-E357 HydrophobicContact CB-CG 3.69Å; Q355-E357 PolarHBondContact O-N 2.91Å; Q355-E357 VanDerWaalsContact O-N 3.12Å; E357-V359 VanDerWaalsContact C-N 3.3Å
358	N	96.7	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-19.6	176.7	-59.2	125.9	0	0	0	111.8	K270 D273 R274 V275 V354 Q355 D360	K270-N358 PolarHBondContact O-ND2 2.92Å; D273-N358 WeakPolarHBondContact O-CB 3.09Å; D273-N358 PolarHBondContact O-ND2 2.92Å; R274-N358 CarbonylContact C-O 3.58Å; R274-N358 WeakPolarHBondContact CA-O 3.28Å; V275-N358 HydrophobicContact CG2-CB 4.42Å; V275-N358 PolarHBondContact N-O 2.91Å; V354-N358 HydrophobicContact CG1-CB 4.01Å; Q355-N358 VanDerWaalsContact CB-OD1 3.31Å; Q355-N358 WeakPolarHBondContact CB-OD1 3.44Å; Q355-N358 PolarHBondContact N-OD1 3.41Å; Q355-N358 WeakPolarHBondContact O-CB 3.07Å; Q355-N358 PolarHBondContact O-N 2.76Å; N358-D360 PolarHBondContact O-N 3.1Å
359	V	97.4	Very high	96.9	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.03	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115	-179.8	-177.8	0	0	0	0	109.7	V277 E357 I436	V277-V359 HydrophobicContact CG2-CG1 4Å; V277-V359 HydrophobicContact CG2-CG2 4.02Å; E357-V359 VanDerWaalsContact C-N 3.3Å; V359-I436 HydrophobicContact CG1-CD1 4.15Å; V359-I436 HydrophobicContact CG1-CG2 4.41Å
360	D	96.4	Very high	96.8	Very high	48 Å²	48	21.9 Å²	21.9	26%	0.257	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-51.6	178.7	-178	85.7	0	0	0	111.2	R274 V275 N358	R274-D360 HydrophobicContact CB-CB 4.09Å; V275-D360 PolarHBondContact O-N 2.85Å; N358-D360 PolarHBondContact O-N 3.1Å
361	S	97	Very high	96.5	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.063	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.2	179.3	-64.3	0	0	0	0	110.5	V276 V277 S437	V276-S361 WeakPolarHBondContact CA-O 3.41Å; V277-S361 PolarHBondContact N-O 3.14Å; S361-S437 WeakPolarHBondContact CA-O 3.48Å
362	F	98.5	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	122.8	-179.4	-165.9	-80	0	0	0	110.6	V277 A279 F330 E364 L427 F430 I436 S437 G438 V439	V277-F362 HydrophobicContact CB-CD2 3.63Å; V277-F362 HydrophobicContact CB-CE2 4.03Å; V277-F362 HydrophobicContact CB-CG 4.36Å; V277-F362 HydrophobicContact CG1-CD2 3.73Å; V277-F362 HydrophobicContact CG1-CE2 3.56Å; V277-F362 HydrophobicContact CG1-CZ 4.38Å; V277-F362 HydrophobicContact CG2-CD2 4.33Å; V277-F362 CarbonylContact O-C 3.54Å; V277-F362 WeakPolarHBondContact O-CA 3.15Å; A279-F362 HydrophobicContact CB-CE1 3.77Å; A279-F362 HydrophobicContact CB-CE2 4.25Å; A279-F362 HydrophobicContact CB-CZ 3.46Å; A279-F362 VanDerWaalsContact CB-CZ 3.46Å; F330-F362 HydrophobicContact CE2-CZ 4.46Å; F362-E364 HydrophobicContact CD1-CB 4.4Å; F362-E364 HydrophobicContact CE1-CB 3.94Å; F362-L427 HydrophobicContact CB-CD1 4.13Å; F362-L427 HydrophobicContact CD1-CB 3.96Å; F362-L427 HydrophobicContact CD1-CD1 3.61Å; F362-L427 HydrophobicContact CD1-CG 4.24Å; F362-L427 HydrophobicContact CE1-CB 3.73Å; F362-L427 HydrophobicContact CE1-CD1 4.15Å; F362-L427 HydrophobicContact CE1-CG 4.49Å; F362-L427 HydrophobicContact CG-CD1 3.94Å; F362-F430 HydrophobicContact CD2-CD1 4.49Å; F362-F430 HydrophobicContact CD2-CG 4.41Å; F362-F430 HydrophobicContact CE2-CD1 4.13Å; F362-F430 AromaticContact CE2-CD2 3.66Å; F362-F430 HydrophobicContact CE2-CD2 3.66Å; F362-F430 HydrophobicContact CE2-CE1 4.14Å; F362-F430 AromaticContact CE2-CE2 3.69Å; F362-F430 HydrophobicContact CE2-CE2 3.69Å; F362-F430 AromaticContact CE2-CG 3.9Å; F362-F430 HydrophobicContact CE2-CG 3.9Å; F362-F430 AromaticContact CE2-CZ 3.94Å; F362-F430 HydrophobicContact CE2-CZ 3.94Å; F362-F430 AromaticContact CZ-CD2 3.84Å; F362-F430 HydrophobicContact CZ-CD2 3.84Å; F362-F430 AromaticContact CZ-CE2 3.94Å; F362-F430 HydrophobicContact CZ-CE2 3.94Å; F362-F430 HydrophobicContact CZ-CG 4.43Å; F362-I436 HydrophobicContact CB-CD1 3.81Å; F362-I436 HydrophobicContact CD2-CD1 3.98Å; F362-I436 HydrophobicContact CG-CD1 4.07Å; F362-S437 PolarHBondContact N-O 2.96Å; F362-G438 CarbonylContact O-C 3.59Å; F362-G438 VanDerWaalsContact O-CA 3.24Å; F362-G438 WeakPolarHBondContact O-CA 3.4Å; F362-V439 PolarHBondContact O-N 3.04Å
363	V	98.6	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.8	177.7	-175.6	0	0	0	0	108.1	V277 A278 A279 L397 V439 L441 L494 L501	V277-V363 PolarHBondContact O-N 3.21Å; A278-V363 CarbonylContact C-O 3.58Å; A278-V363 VanDerWaalsContact CA-O 3.29Å; A278-V363 WeakPolarHBondContact CA-O 3.43Å; A279-V363 PolarHBondContact N-O 3.03Å; V363-L397 HydrophobicContact CG2-CD1 4.27Å; V363-V439 WeakPolarHBondContact CA-O 3.38Å; V363-L441 HydrophobicContact CG1-CD1 4Å; V363-L441 HydrophobicContact CG1-CG 4.24Å; V363-L494 HydrophobicContact CB-CD1 4.47Å; V363-L494 HydrophobicContact CG1-CD1 3.64Å; V363-L501 HydrophobicContact CG2-CD1 4.13Å
364	E	98.8	Very high	95.4	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.2	176.2	-166.2	168.8	-176.5	0	0	111.1	A279 F362 S425 S426 L427 V439 V440 L441	A279-E364 HydrophobicContact CB-CG 4.24Å; A279-E364 VanDerWaalsContact O-CA 3.23Å; A279-E364 WeakPolarHBondContact O-CA 3.24Å; A279-E364 WeakPolarHBondContact O-CG 3.48Å; F362-E364 HydrophobicContact CD1-CB 4.4Å; F362-E364 HydrophobicContact CE1-CB 3.94Å; E364-S425 VanDerWaalsContact CD-CB 3.43Å; E364-S425 WeakPolarHBondContact OE2-CB 3.42Å; E364-S425 PolarHBondContact OE2-OG 3.27Å; E364-S426 VanDerWaalsContact CD-N 3.29Å; E364-S426 WeakPolarHBondContact OE1-CB 3.45Å; E364-S426 PolarHBondContact OE1-N 3.31Å; E364-S426 PolarHBondContact OE1-OG 3.06Å; E364-S426 PolarHBondContact OE2-N 3.15Å; E364-L427 WeakPolarHBondContact OE2-CB 3.2Å; E364-L427 PolarHBondContact OE2-N 2.89Å; E364-V439 PolarHBondContact N-O 2.66Å; E364-V440 HydrophobicContact CB-CG1 4.44Å; E364-V440 HydrophobicContact CB-CG2 4.25Å; E364-V440 CarbonylContact O-C 3.36Å; E364-V440 WeakPolarHBondContact O-CA 3.25Å; E364-L441 PolarHBondContact O-N 2.83Å
365	L	98.6	Very high	95.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.5	170.3	-70.4	77.1	0	0	0	109	A279 T280 T304 V368 L441 V490 L494	A279-L365 PolarHBondContact O-N 3.32Å; A279-L365 VanDerWaalsContact O-N 3.07Å; T280-L365 HydrophobicContact CG2-CB 3.63Å; T304-L365 WeakPolarHBondContact OG1-CD2 3.21Å; L365-V368 HydrophobicContact CB-CG1 4.2Å; L365-V368 HydrophobicContact CD2-CG1 4.29Å; L365-V368 HydrophobicContact CD2-CG2 4.5Å; L365-V368 HydrophobicContact CG-CG1 4.46Å; L365-L441 HydrophobicContact CG-CB 4.31Å; L365-V490 HydrophobicContact CD2-CG1 4.35Å; L365-L494 HydrophobicContact CD1-CD1 3.84Å; L365-L494 HydrophobicContact CD1-CD2 3.39Å; L365-L494 HydrophobicContact CD1-CG 4.22Å; L365-L494 HydrophobicContact CD2-CD2 3.9Å; L365-L494 HydrophobicContact CG-CD2 4.3Å
366	G	96.9	Very high	95.4	Very high	24 Å²	24	26.4 Å²	26.4	25%	0.247	15%	0.153	C	C	.	.			trans	-145.9	119.2	174.5	0	0	0	0	0	110.3	L441 A442	G366-L441 PolarHBondContact N-O 3.24Å; G366-A442 VanDerWaalsContact O-CA 3.3Å; G366-A442 WeakPolarHBondContact O-CA 3.35Å; G366-A442 VanDerWaalsContact O-CB 3.25Å; G366-A442 WeakPolarHBondContact O-CB 3.41Å
367	Q	97.1	Very high	95.5	Very high	10 Å²	10	27 Å²	27	5%	0.047	15%	0.154	C	C	.	.			trans	56.2	84.5	-179.7	-61.2	-171.9	41.2	0	0	112	E296 S301 A442 D443 F448	E296-Q367 VanDerWaalsContact OE1-C 3.32Å; E296-Q367 WeakPolarHBondContact OE1-CA 3.18Å; E296-Q367 WeakPolarHBondContact OE1-CB 3.4Å; E296-Q367 VanDerWaalsContact OE2-CD 3.29Å; E296-Q367 WeakPolarHBondContact OE2-CG 3.48Å; E296-Q367 PolarHBondContact OE2-OE1 3.22Å; S301-Q367 PolarHBondContact OG-N 3.21Å; Q367-A442 CarbonylContact O-C 3.59Å; Q367-D443 VanDerWaalsContact O-CB 3.22Å; Q367-D443 WeakPolarHBondContact O-CB 3.32Å; Q367-D443 PolarHBondContact O-N 2.98Å; Q367-D443 VanDerWaalsContact O-OD1 3.13Å; Q367-F448 VanDerWaalsContact NE2-CD1 3.27Å; Q367-F448 VanDerWaalsContact NE2-CZ 3.3Å
368	V	97.5	Very high	95.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.			trans	-119.9	8.4	-173.9	-63.1	0	0	0	0	113.2	T304 L365 R371 L376 L487	T304-V368 HydrophobicContact CG2-CG2 4.03Å; L365-V368 HydrophobicContact CB-CG1 4.2Å; L365-V368 HydrophobicContact CD2-CG1 4.29Å; L365-V368 HydrophobicContact CD2-CG2 4.5Å; L365-V368 HydrophobicContact CG-CG1 4.46Å; V368-R371 WeakPolarHBondContact O-CD 3.33Å; V368-L376 HydrophobicContact CG1-CD1 4.11Å; V368-L487 HydrophobicContact CG2-CD2 4.17Å
369	A	96.4	Very high	95.6	Very high	18 Å²	18	23.5 Å²	23.5	15%	0.149	14%	0.138	C	C	.	.	S	Bend	trans	-89.1	-38.9	-174.2	0	0	0	0	0	112.9	E296 A300 R371 I463 L487	E296-A369 HydrophobicContact CG-CB 4.15Å; A300-A369 HydrophobicContact CB-CB 3.45Å; A300-A369 VanDerWaalsContact CB-CB 3.45Å; A369-R371 PolarHBondContact O-N 2.97Å; A369-I463 HydrophobicContact CB-CB 4.17Å; A369-I463 HydrophobicContact CB-CG2 3.66Å; A369-L487 HydrophobicContact CB-CD2 4.44Å
370	L	93.8	Very high	95.6	Very high	38 Å²	38	24.4 Å²	24.4	20%	0.199	14%	0.143	C	C	.	.			trans	-97.3	63.6	-170.5	-58.7	178.6	0	0	0	111.3	E296 T372 D443 H449 N450 I463	E296-L370 HydrophobicContact CG-CD1 3.73Å; E296-L370 HydrophobicContact CG-CG 3.75Å; L370-T372 PolarHBondContact O-N 2.86Å; L370-D443 WeakPolarHBondContact CA-OD2 3.43Å; L370-D443 WeakPolarHBondContact CB-OD2 3.37Å; L370-D443 PolarHBondContact N-OD2 2.78Å; L370-H449 HydrophobicContact CB-CB 4Å; L370-H449 HydrophobicContact CD1-CB 4.38Å; L370-H449 PolarHBondContact O-CD2 2.83Å; L370-N450 HydrophobicContact CD1-CB 4.24Å; L370-I463 HydrophobicContact CD2-CG2 4.5Å
371	R	89.5	Confident	95.6	Very high	31 Å²	31	22.3 Å²	22.3	12%	0.117	13%	0.133	C	C	.	.			trans	-80.1	100.2	-175	-65.9	169.2	56.4	-143	-12.5	111.7	V368 A369 S373 L374 A410 V411 D443 A486	V368-R371 WeakPolarHBondContact O-CD 3.33Å; A369-R371 PolarHBondContact O-N 2.97Å; R371-S373 PolarHBondContact O-N 2.94Å; R371-L374 PolarHBondContact NH2-O 3.3Å; R371-A410 PolarHBondContact NH2-O 3.29Å; R371-V411 VanDerWaalsContact NH2-CA 3.33Å; R371-D443 HydrophobicContact CG-CB 4.03Å; R371-A486 PolarHBondContact NH1-O 3.16Å
372	T	84.1	Confident	95.5	Very high	66 Å²	66	22.5 Å²	22.5	41%	0.405	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-67.7	125.4	172.1	58.8	0	0	0	0	109.8	L370 L374 E375	L370-T372 PolarHBondContact O-N 2.86Å; T372-L374 PolarHBondContact O-N 2.82Å; T372-E375 WeakPolarHBondContact O-CB 3.22Å; T372-E375 PolarHBondContact O-N 2.82Å; T372-E375 VanDerWaalsContact O-N 3.13Å
373	S	87.8	Confident	95.3	Very high	95 Å²	95	23.5 Å²	23.5	66%	0.664	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	56.7	30.3	178.8	-56.1	0	0	0	0	114.8	R371 E375	R371-S373 PolarHBondContact O-N 2.94Å; S373-E375 PolarHBondContact O-N 2.84Å; S373-E375 VanDerWaalsContact O-N 3.17Å
374	L	93.4	Very high	94.9	Very high	82 Å²	82	23.7 Å²	23.7	43%	0.429	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	62.7	13.9	-178.1	-50.9	174.7	0	0	0	114.3	R371 T372 I412	R371-L374 PolarHBondContact NH2-O 3.3Å; T372-L374 PolarHBondContact O-N 2.82Å; L374-I412 HydrophobicContact CB-CD1 4.46Å; L374-I412 HydrophobicContact CB-CG1 4.43Å; L374-I412 PolarHBondContact O-N 3.01Å
375	E	96.1	Very high	94.5	Very high	27 Å²	27	25.5 Å²	25.5	13%	0.126	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.2	-178.6	-61.1	179.5	174.5	0	0	110.6	T372 S373 W377 I412 R414	T372-E375 WeakPolarHBondContact O-CB 3.22Å; T372-E375 PolarHBondContact O-N 2.82Å; T372-E375 VanDerWaalsContact O-N 3.13Å; S373-E375 PolarHBondContact O-N 2.84Å; S373-E375 VanDerWaalsContact O-N 3.17Å; E375-W377 WeakPolarHBondContact OE2-CZ2 3.24Å; E375-I412 CarbonylContact C-O 3.48Å; E375-I412 WeakPolarHBondContact CA-O 3.28Å; E375-R414 VanDerWaalsContact CD-NH1 3.35Å; E375-R414 IonicContact OE1-CZ 3.85Å; E375-R414 IonicContact OE1-NE 3.94Å; E375-R414 IonicContact OE1-NH1 2.72Å; E375-R414 PolarHBondContact OE1-NH1 2.82Å; E375-R414 IonicContact OE1-NH2 2.98Å; E375-R414 PolarHBondContact OE1-NH2 3.06Å; E375-R414 IonicContact OE2-NH1 2.74Å
376	L	97.6	Very high	94.2	Very high	1 Å²	1	32 Å²	32	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.7	171.2	-175	70.8	0	0	0	107.9	V368 V411 I412 L413 R414 L441 A442 V490	V368-L376 HydrophobicContact CG1-CD1 4.11Å; L376-V411 HydrophobicContact CB-CG1 3.96Å; L376-V411 HydrophobicContact CD2-CG1 3.99Å; L376-I412 PolarHBondContact N-O 3.27Å; L376-L413 HydrophobicContact CB-CD2 4.13Å; L376-L413 HydrophobicContact CD2-CD2 3.8Å; L376-L413 HydrophobicContact CG-CD2 4.16Å; L376-L413 CarbonylContact O-C 3.59Å; L376-L413 WeakPolarHBondContact O-CA 3.43Å; L376-R414 PolarHBondContact O-N 3.08Å; L376-L441 HydrophobicContact CD1-CB 4.48Å; L376-L441 HydrophobicContact CD2-CB 4.42Å; L376-L441 HydrophobicContact CD2-CD1 4.45Å; L376-L441 HydrophobicContact CG-CB 4.49Å; L376-A442 WeakPolarHBondContact CD1-O 3.42Å; L376-V490 HydrophobicContact CD2-CG1 4Å; L376-V490 HydrophobicContact CD2-CG2 4.5Å
377	W	97.9	Very high	94	Very high	29 Å²	29	34.6 Å²	34.6	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.1	-171.3	-63.7	90.9	0	0	0	111.3	E375 R414 R415 L441 A442 H444	E375-W377 WeakPolarHBondContact OE2-CZ2 3.24Å; W377-R414 CarbonylContact C-O 3.59Å; W377-R414 WeakPolarHBondContact CA-O 3.45Å; W377-R414 HydrophobicContact CD2-CB 4.24Å; W377-R414 HydrophobicContact CE3-CB 3.82Å; W377-R414 HydrophobicContact CH2-CB 4.3Å; W377-R414 HydrophobicContact CZ3-CB 3.86Å; W377-R415 WeakPolarHBondContact CZ3-O 3.48Å; W377-L441 WeakPolarHBondContact O-CA 3.37Å; W377-A442 PolarHBondContact N-O 3.11Å; W377-A442 PolarHBondContact O-N 2.76Å; W377-H444 WeakPolarHBondContact CB-O 3.44Å; W377-H444 VanDerWaalsContact CD1-C 3.42Å
378	M	97.7	Very high	93.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	99.4	179.7	-57.5	-176.5	-69.9	0	0	109.9	L398 L401 E402 L413 R414 R415 P416 V439 L441	M378-L398 HydrophobicContact CB-CD2 3.73Å; M378-L398 HydrophobicContact CE-CD2 4.01Å; M378-L398 HydrophobicContact CG-CD2 4.4Å; M378-L398 HydrophobicContact SD-CD2 3.86Å; M378-L401 HydrophobicContact SD-CB 3.72Å; M378-L401 HydrophobicContact SD-CD1 3.93Å; M378-L401 HydrophobicContact SD-CG 4.43Å; M378-E402 HydrophobicContact CE-CG 3.77Å; M378-L413 HydrophobicContact CE-CB 4.25Å; M378-L413 HydrophobicContact CG-CD2 4.15Å; M378-L413 HydrophobicContact SD-CB 4.4Å; M378-L413 HydrophobicContact SD-CD2 4.09Å; M378-R414 PolarHBondContact N-O 2.88Å; M378-R415 HydrophobicContact CE-CG 3.71Å; M378-P416 WeakPolarHBondContact O-CD 3.2Å; M378-V439 HydrophobicContact CB-CG1 3.87Å; M378-V439 HydrophobicContact CG-CG1 4.37Å; M378-L441 HydrophobicContact CB-CD2 4.39Å; M378-L441 HydrophobicContact CG-CD2 3.63Å; M378-L441 HydrophobicContact SD-CD2 4.49Å
379	H	97.6	Very high	93.6	Very high	2 Å²	2	42 Å²	42	1%	0.009	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.9	178.1	-60.1	-92.9	0	0	0	111	Q420 L422 P423 V439 V440 H444 S445	H379-Q420 PolarHBondContact CE1-NE2 2.67Å; H379-Q420 PolarHBondContact ND1-NE2 3.07Å; H379-L422 HydrophobicContact CB-CD2 3.97Å; H379-P423 HydrophobicContact CB-CG 4.16Å; H379-V439 WeakPolarHBondContact O-CA 3.5Å; H379-V440 HydrophobicContact CB-CB 4.28Å; H379-V440 PolarHBondContact N-O 2.87Å; H379-V440 PolarHBondContact O-N 2.77Å; H379-H444 PolarHBondContact CE1-O 3.14Å; H379-H444 PolarHBondContact NE2-O 2.85Å; H379-S445 PolarHBondContact CE1-O 2.86Å
380	T	96.9	Very high	93.5	Very high	24 Å²	24	41.7 Å²	41.7	15%	0.147	23%	0.228	C	C	.	.			trans	-138.1	156.7	-178.3	50.3	0	0	0	0	109.8	P382 Q385 V394 L398 V439	T380-P382 VanDerWaalsContact O-CD 3.29Å; T380-P382 WeakPolarHBondContact O-CD 3.07Å; T380-Q385 PolarHBondContact OG1-NE2 3.46Å; T380-V394 HydrophobicContact CG2-CG1 3.62Å; T380-L398 HydrophobicContact CG2-CD1 4.21Å; T380-L398 HydrophobicContact CG2-CD2 4.07Å; T380-L398 HydrophobicContact CG2-CG 4.38Å; T380-V439 HydrophobicContact CG2-CG2 3.75Å
381	D	96.6	Very high	93.5	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.027	24%	0.236	C	C	.	.			trans	-80.7	117.8	-179.7	178.8	26.9	0	0	0	112	Y148 Y152 V383 S384 Q385 L422 L431	Y148-D381 WeakPolarHBondContact CE1-OD1 3.22Å; Y148-D381 PolarHBondContact OH-OD1 2.91Å; Y152-D381 PolarHBondContact OH-OD2 3.38Å; D381-V383 VanDerWaalsContact C-N 3.27Å; D381-V383 PolarHBondContact O-N 2.96Å; D381-V383 PolarHBondContact OD1-N 3.37Å; D381-V383 VanDerWaalsContact OD1-N 3.09Å; D381-S384 VanDerWaalsContact OD2-CB 3.3Å; D381-S384 WeakPolarHBondContact OD2-CB 3.41Å; D381-S384 PolarHBondContact OD2-N 2.91Å; D381-S384 PolarHBondContact OD2-OG 3.44Å; D381-Q385 WeakPolarHBondContact O-CG 3.33Å; D381-Q385 PolarHBondContact O-N 2.96Å; D381-L422 HydrophobicContact CB-CD1 3.7Å; D381-L422 HydrophobicContact CB-CG 4.11Å; D381-L431 HydrophobicContact CB-CD1 3.87Å
382	P	94.1	Very high	93.8	Very high	13 Å²	13	48 Å²	48	8%	0.084	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.9	176.4	-23.4	35.5	0	0	0	114.1	F156 T380 Q385 S419 Q420	F156-P382 HydrophobicContact CE2-CB 3.81Å; F156-P382 HydrophobicContact CE2-CG 3.8Å; F156-P382 HydrophobicContact CZ-CB 4.13Å; F156-P382 HydrophobicContact CZ-CG 3.92Å; T380-P382 VanDerWaalsContact O-CD 3.29Å; T380-P382 WeakPolarHBondContact O-CD 3.07Å; P382-Q385 PolarHBondContact O-N 3.27Å; P382-S419 VanDerWaalsContact CB-OG 3.25Å; P382-S419 WeakPolarHBondContact CB-OG 3.43Å; P382-S419 WeakPolarHBondContact CG-OG 3.22Å; P382-Q420 WeakPolarHBondContact CD-O 3.1Å; P382-Q420 WeakPolarHBondContact CG-O 3.4Å
383	V	94.1	Very high	94.4	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.127	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-42.2	-175.9	-176.3	0	0	0	0	110.2	Y148 Y152 F156 D381 Q385 K386	Y148-V383 HydrophobicContact CE1-CG2 4.03Å; Y152-V383 HydrophobicContact CD1-CB 4.41Å; Y152-V383 HydrophobicContact CD1-CG1 4.24Å; Y152-V383 HydrophobicContact CD1-CG2 4.44Å; Y152-V383 HydrophobicContact CD2-CG1 3.98Å; Y152-V383 HydrophobicContact CE1-CB 3.62Å; Y152-V383 HydrophobicContact CE1-CG1 3.71Å; Y152-V383 HydrophobicContact CE1-CG2 4Å; Y152-V383 HydrophobicContact CE2-CB 4.2Å; Y152-V383 HydrophobicContact CE2-CG1 3.43Å; Y152-V383 VanDerWaalsContact CE2-CG1 3.43Å; Y152-V383 HydrophobicContact CG-CG1 4.36Å; Y152-V383 VanDerWaalsContact CZ-CB 3.5Å; Y152-V383 WeakPolarHBondContact OH-CB 3.43Å; Y152-V383 WeakPolarHBondContact OH-CG1 3.36Å; F156-V383 HydrophobicContact CD2-CG2 4.29Å; F156-V383 HydrophobicContact CE2-CG2 4.38Å; D381-V383 VanDerWaalsContact C-N 3.27Å; D381-V383 PolarHBondContact O-N 2.96Å; D381-V383 PolarHBondContact OD1-N 3.37Å; D381-V383 VanDerWaalsContact OD1-N 3.09Å; V383-Q385 PolarHBondContact O-N 3.08Å; V383-K386 VanDerWaalsContact O-CB 3.3Å; V383-K386 WeakPolarHBondContact O-CB 3.45Å; V383-K386 PolarHBondContact O-N 2.91Å; V383-K386 VanDerWaalsContact O-N 3.08Å
384	S	91.2	Very high	94.7	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.028	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.9	-36.7	171.9	-66.9	0	0	0	0	112.4	Y152 D381 K386 N387	Y152-S384 PolarHBondContact OH-N 3.29Å; Y152-S384 PolarHBondContact OH-OG 3.49Å; D381-S384 VanDerWaalsContact OD2-CB 3.3Å; D381-S384 WeakPolarHBondContact OD2-CB 3.41Å; D381-S384 PolarHBondContact OD2-N 2.91Å; D381-S384 PolarHBondContact OD2-OG 3.44Å; S384-K386 PolarHBondContact O-N 3.38Å; S384-N387 PolarHBondContact O-N 2.85Å
385	Q	90.4	Very high	94.9	Very high	43 Å²	43	44.5 Å²	44.5	20%	0.201	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-72.2	-7.7	177.8	-69.4	175.2	34.7	0	0	114.7	T380 D381 P382 V383 N387 R391	T380-Q385 PolarHBondContact OG1-NE2 3.46Å; D381-Q385 WeakPolarHBondContact O-CG 3.33Å; D381-Q385 PolarHBondContact O-N 2.96Å; P382-Q385 PolarHBondContact O-N 3.27Å; V383-Q385 PolarHBondContact O-N 3.08Å; Q385-N387 PolarHBondContact O-N 3.43Å; Q385-R391 HydrophobicContact CB-CB 4.29Å; Q385-R391 HydrophobicContact CB-CG 4.2Å; Q385-R391 HydrophobicContact CG-CG 4.34Å
386	K	90.8	Very high	94.9	Very high	138 Å²	138	48.3 Å²	48.3	60%	0.6	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-66.1	-21.1	169.7	-64.3	179	-178.5	171.3	0	111.5	E155 V383 S384	E155-K386 IonicContact OE1-NZ 2.85Å; E155-K386 PolarHBondContact OE1-NZ 3.34Å; V383-K386 VanDerWaalsContact O-CB 3.3Å; V383-K386 WeakPolarHBondContact O-CB 3.45Å; V383-K386 PolarHBondContact O-N 2.91Å; V383-K386 VanDerWaalsContact O-N 3.08Å; S384-K386 PolarHBondContact O-N 3.38Å
387	N	93.1	Very high	94.9	Very high	79 Å²	79	48.3 Å²	48.3	42%	0.422	24%	0.244	S	C	.	.	S	Bend	trans	-89.3	120.4	171.3	-176.9	-33.7	0	0	0	110.4	S384 Q385 S389 V390 R391	S384-N387 PolarHBondContact O-N 2.85Å; Q385-N387 PolarHBondContact O-N 3.43Å; N387-S389 VanDerWaalsContact C-N 3.3Å; N387-S389 PolarHBondContact O-N 3.22Å; N387-S389 PolarHBondContact OD1-N 2.65Å; N387-V390 HydrophobicContact CB-CB 4.26Å; N387-V390 HydrophobicContact CB-CG2 4.14Å; N387-V390 PolarHBondContact O-N 3.17Å; N387-R391 WeakPolarHBondContact O-CB 3.44Å; N387-R391 PolarHBondContact O-N 3.21Å
388	D	93.1	Very high	94.8	Very high	95 Å²	95	47.1 Å²	47.1	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-58.1	-37.7	-176.5	-66.9	-42.4	0	0	0	113.6	R391 N392	D388-R391 IonicContact OD1-CZ 3.28Å; D388-R391 VanDerWaalsContact OD1-CZ 3.28Å; D388-R391 IonicContact OD1-NH1 3.52Å; D388-R391 IonicContact OD1-NH2 2.67Å; D388-R391 PolarHBondContact OD1-NH2 3.17Å; D388-N392 WeakPolarHBondContact O-CB 3.44Å; D388-N392 PolarHBondContact O-N 3.5Å; D388-N392 PolarHBondContact O-ND2 3.11Å; D388-N392 PolarHBondContact O-OD1 3.49Å
389	S	94.1	Very high	94.8	Very high	71 Å²	71	49.2 Å²	49.2	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-67.5	-42.8	179.7	-174.8	0	0	0	0	111.6	N387 Q393	N387-S389 VanDerWaalsContact C-N 3.3Å; N387-S389 PolarHBondContact O-N 3.22Å; N387-S389 PolarHBondContact OD1-N 2.65Å; S389-Q393 WeakPolarHBondContact O-CG 3.36Å; S389-Q393 PolarHBondContact O-N 2.82Å
390	V	93.5	Very high	94.7	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-41.2	179	179.7	0	0	0	0	109.7	N387 N392 Q393 V394 N435	N387-V390 HydrophobicContact CB-CB 4.26Å; N387-V390 HydrophobicContact CB-CG2 4.14Å; N387-V390 PolarHBondContact O-N 3.17Å; V390-N392 VanDerWaalsContact C-N 3.33Å; V390-N392 PolarHBondContact O-N 3.14Å; V390-Q393 PolarHBondContact O-N 2.99Å; V390-V394 HydrophobicContact CG1-CG2 4.24Å; V390-V394 WeakPolarHBondContact O-CG2 3.4Å; V390-V394 PolarHBondContact O-N 3.44Å; V390-N435 HydrophobicContact CG2-CB 4.45Å
391	R	94.5	Very high	94.7	Very high	100 Å²	100	49 Å²	49	38%	0.377	26%	0.256	S	S	.	.	H	α-helix	trans	-56.8	-46.1	175.2	-172.2	179.7	65.4	-153.1	-8.9	111.9	Q385 N387 D388 Q393 V394 E395	Q385-R391 HydrophobicContact CB-CB 4.29Å; Q385-R391 HydrophobicContact CB-CG 4.2Å; Q385-R391 HydrophobicContact CG-CG 4.34Å; N387-R391 WeakPolarHBondContact O-CB 3.44Å; N387-R391 PolarHBondContact O-N 3.21Å; D388-R391 IonicContact OD1-CZ 3.28Å; D388-R391 VanDerWaalsContact OD1-CZ 3.28Å; D388-R391 IonicContact OD1-NH1 3.52Å; D388-R391 IonicContact OD1-NH2 2.67Å; D388-R391 PolarHBondContact OD1-NH2 3.17Å; R391-Q393 VanDerWaalsContact C-N 3.3Å; R391-Q393 PolarHBondContact O-N 3.32Å; R391-V394 PolarHBondContact O-N 3.27Å; R391-E395 HydrophobicContact CG-CG 4.49Å; R391-E395 WeakPolarHBondContact O-CB 3.21Å; R391-E395 WeakPolarHBondContact O-CG 3.44Å; R391-E395 PolarHBondContact O-N 2.9Å
392	N	96.1	Very high	94.7	Very high	100 Å²	100	52.2 Å²	52.2	54%	0.535	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-37.6	178.9	-68.9	-18.6	0	0	0	112.3	D388 V390 D396	D388-N392 WeakPolarHBondContact O-CB 3.44Å; D388-N392 PolarHBondContact O-N 3.5Å; D388-N392 PolarHBondContact O-ND2 3.11Å; D388-N392 PolarHBondContact O-OD1 3.49Å; V390-N392 VanDerWaalsContact C-N 3.33Å; V390-N392 PolarHBondContact O-N 3.14Å; N392-D396 WeakPolarHBondContact O-CB 3.4Å; N392-D396 PolarHBondContact O-N 2.56Å
393	Q	95.3	Very high	94.7	Very high	90 Å²	90	57.8 Å²	57.8	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-69.8	-39.2	175.6	-69.8	175.4	-12.8	0	0	112.3	S389 V390 R391 D396 L397 S437	S389-Q393 WeakPolarHBondContact O-CG 3.36Å; S389-Q393 PolarHBondContact O-N 2.82Å; V390-Q393 PolarHBondContact O-N 2.99Å; R391-Q393 VanDerWaalsContact C-N 3.3Å; R391-Q393 PolarHBondContact O-N 3.32Å; Q393-D396 PolarHBondContact O-N 3.2Å; Q393-L397 WeakPolarHBondContact O-CB 3.34Å; Q393-L397 PolarHBondContact O-N 3.34Å; Q393-S437 WeakPolarHBondContact CB-OG 3.26Å; Q393-S437 PolarHBondContact OE1-OG 2.81Å
394	V	95.9	Very high	94.7	Very high	4 Å²	4	57 Å²	57	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-41.2	174.7	171.9	0	0	0	0	110.8	T380 V390 R391 L397 L398	T380-V394 HydrophobicContact CG2-CG1 3.62Å; V390-V394 HydrophobicContact CG1-CG2 4.24Å; V390-V394 WeakPolarHBondContact O-CG2 3.4Å; V390-V394 PolarHBondContact O-N 3.44Å; R391-V394 PolarHBondContact O-N 3.27Å; V394-L397 WeakPolarHBondContact O-CB 3.49Å; V394-L397 PolarHBondContact O-N 2.98Å; V394-L398 HydrophobicContact CG1-CD1 4.17Å; V394-L398 HydrophobicContact CG1-CG 4.43Å; V394-L398 VanDerWaalsContact O-CG 3.29Å; V394-L398 WeakPolarHBondContact O-CG 3.48Å; V394-L398 PolarHBondContact O-N 3.15Å
395	E	95.9	Very high	94.8	Very high	76 Å²	76	57 Å²	57	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175.4	-75.7	-62.1	149.4	0	0	112.5	R391 L398 A399 R415	R391-E395 HydrophobicContact CG-CG 4.49Å; R391-E395 WeakPolarHBondContact O-CB 3.21Å; R391-E395 WeakPolarHBondContact O-CG 3.44Å; R391-E395 PolarHBondContact O-N 2.9Å; E395-L398 PolarHBondContact O-N 3.47Å; E395-A399 WeakPolarHBondContact O-CB 3.31Å; E395-A399 PolarHBondContact O-N 3.21Å; E395-R415 IonicContact OE1-NH1 3.45Å; E395-R415 PolarHBondContact OE1-NH1 3.21Å; E395-R415 IonicContact OE2-CZ 3.95Å; E395-R415 IonicContact OE2-NH1 2.68Å; E395-R415 PolarHBondContact OE2-NH1 3.2Å; E395-R415 IonicContact OE2-NH2 2.72Å
396	D	96.5	Very high	94.8	Very high	108 Å²	108	59.1 Å²	59.1	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-40.7	174	-171.6	61	0	0	0	111.9	N392 Q393 A399 T400	N392-D396 WeakPolarHBondContact O-CB 3.4Å; N392-D396 PolarHBondContact O-N 2.56Å; Q393-D396 PolarHBondContact O-N 3.2Å; D396-A399 PolarHBondContact O-N 3.35Å; D396-T400 WeakPolarHBondContact O-CB 3.07Å; D396-T400 PolarHBondContact O-N 3.48Å; D396-T400 PolarHBondContact O-OG1 2.91Å
397	L	97.1	Very high	94.7	Very high	1 Å²	1	55 Å²	55	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-45.6	174.3	174.6	57.7	0	0	0	111.7	V363 Q393 V394 T400 L401 V439 L501	V363-L397 HydrophobicContact CG2-CD1 4.27Å; Q393-L397 WeakPolarHBondContact O-CB 3.34Å; Q393-L397 PolarHBondContact O-N 3.34Å; V394-L397 WeakPolarHBondContact O-CB 3.49Å; V394-L397 PolarHBondContact O-N 2.98Å; L397-T400 PolarHBondContact O-N 3.44Å; L397-L401 HydrophobicContact CD1-CD1 4.31Å; L397-L401 HydrophobicContact CG-CD1 4.33Å; L397-L401 WeakPolarHBondContact O-CG 3.42Å; L397-L401 PolarHBondContact O-N 2.95Å; L397-V439 HydrophobicContact CD2-CB 4.22Å; L397-V439 HydrophobicContact CD2-CG2 3.53Å; L397-V439 HydrophobicContact CG-CG2 3.77Å; L397-L501 HydrophobicContact CD1-CD1 3.43Å; L397-L501 VanDerWaalsContact CD1-CD1 3.43Å; L397-L501 HydrophobicContact CD1-CD2 3.55Å; L397-L501 HydrophobicContact CD1-CG 4.1Å
398	L	97	Very high	94.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-42.1	176.3	-70	172.5	0	0	0	111.8	M378 T380 V394 E395 T400 L401 E402 V439	M378-L398 HydrophobicContact CB-CD2 3.73Å; M378-L398 HydrophobicContact CE-CD2 4.01Å; M378-L398 HydrophobicContact CG-CD2 4.4Å; M378-L398 HydrophobicContact SD-CD2 3.86Å; T380-L398 HydrophobicContact CG2-CD1 4.21Å; T380-L398 HydrophobicContact CG2-CD2 4.07Å; T380-L398 HydrophobicContact CG2-CG 4.38Å; V394-L398 HydrophobicContact CG1-CD1 4.17Å; V394-L398 HydrophobicContact CG1-CG 4.43Å; V394-L398 VanDerWaalsContact O-CG 3.29Å; V394-L398 WeakPolarHBondContact O-CG 3.48Å; V394-L398 PolarHBondContact O-N 3.15Å; E395-L398 PolarHBondContact O-N 3.47Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 3.38Å; L398-L401 PolarHBondContact O-N 2.87Å; L398-E402 WeakPolarHBondContact O-CG 3.12Å; L398-E402 PolarHBondContact O-N 3.47Å; L398-V439 HydrophobicContact CD2-CG1 4.37Å; L398-V439 HydrophobicContact CD2-CG2 3.82Å; L398-V439 HydrophobicContact CG-CG2 4.35Å
399	A	97.1	Very high	94.7	Very high	45 Å²	45	53.1 Å²	53.1	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-39.1	176.3	0	0	0	0	0	111.8	E395 D396 E402 K403	E395-A399 WeakPolarHBondContact O-CB 3.31Å; E395-A399 PolarHBondContact O-N 3.21Å; D396-A399 PolarHBondContact O-N 3.35Å; A399-E402 PolarHBondContact O-N 3.31Å; A399-K403 VanDerWaalsContact O-CB 3.28Å; A399-K403 WeakPolarHBondContact O-CB 3.44Å; A399-K403 PolarHBondContact O-N 2.87Å
400	T	96.1	Very high	94.7	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-42.1	175.7	-58	0	0	0	0	111.4	D396 L397 L398 K403 S404 E500 L501	D396-T400 WeakPolarHBondContact O-CB 3.07Å; D396-T400 PolarHBondContact O-N 3.48Å; D396-T400 PolarHBondContact O-OG1 2.91Å; L397-T400 PolarHBondContact O-N 3.44Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 3.38Å; T400-K403 PolarHBondContact O-N 3.01Å; T400-S404 WeakPolarHBondContact O-CB 3.42Å; T400-S404 PolarHBondContact O-N 3.45Å; T400-E500 HydrophobicContact CG2-CB 3.58Å; T400-L501 HydrophobicContact CG2-CD2 3.98Å; T400-L501 HydrophobicContact CG2-CG 4.05Å
401	L	96.4	Very high	94.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-48.7	174.4	-75.3	161.8	0	0	0	111.6	M378 L397 L398 K403 S404 G405 L413 V439 L441 A497	M378-L401 HydrophobicContact SD-CB 3.72Å; M378-L401 HydrophobicContact SD-CD1 3.93Å; M378-L401 HydrophobicContact SD-CG 4.43Å; L397-L401 HydrophobicContact CD1-CD1 4.31Å; L397-L401 HydrophobicContact CG-CD1 4.33Å; L397-L401 WeakPolarHBondContact O-CG 3.42Å; L397-L401 PolarHBondContact O-N 2.95Å; L398-L401 PolarHBondContact O-N 2.87Å; L401-K403 VanDerWaalsContact C-N 3.29Å; L401-K403 PolarHBondContact O-N 2.99Å; L401-S404 PolarHBondContact O-N 3.43Å; L401-S404 PolarHBondContact O-OG 3.06Å; L401-G405 PolarHBondContact O-N 3.11Å; L401-L413 VanDerWaalsContact C-CD1 3.44Å; L401-L413 HydrophobicContact CB-CD1 4.37Å; L401-L413 WeakPolarHBondContact O-CD1 3.01Å; L401-V439 HydrophobicContact CD1-CB 4.1Å; L401-V439 HydrophobicContact CD1-CG1 3.79Å; L401-V439 HydrophobicContact CD1-CG2 4.07Å; L401-L441 HydrophobicContact CD1-CD2 4.44Å; L401-L441 HydrophobicContact CD2-CD1 4.39Å; L401-L441 HydrophobicContact CD2-CD2 4.48Å; L401-A497 HydrophobicContact CD2-CB 3.53Å; L401-A497 HydrophobicContact CG-CB 4.4Å
402	E	96.6	Very high	95	Very high	74 Å²	74	49.5 Å²	49.5	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-41.4	178.5	-73.6	170.1	169	0	0	111.9	M378 L398 A399 G405 A406 R415	M378-E402 HydrophobicContact CE-CG 3.77Å; L398-E402 WeakPolarHBondContact O-CG 3.12Å; L398-E402 PolarHBondContact O-N 3.47Å; A399-E402 PolarHBondContact O-N 3.31Å; E402-G405 PolarHBondContact O-N 2.85Å; E402-A406 PolarHBondContact O-N 2.87Å; E402-A406 VanDerWaalsContact O-N 3.16Å; E402-R415 VanDerWaalsContact CD-NH2 3.31Å; E402-R415 IonicContact OE1-CZ 3.87Å; E402-R415 IonicContact OE1-NE 2.84Å; E402-R415 PolarHBondContact OE1-NE 3.33Å; E402-R415 IonicContact OE1-NH2 3.39Å; E402-R415 PolarHBondContact OE1-NH2 2.67Å; E402-R415 IonicContact OE2-CZ 3.7Å; E402-R415 IonicContact OE2-NE 3.23Å; E402-R415 IonicContact OE2-NH2 3.75Å; E402-R415 PolarHBondContact OE2-NH2 2.95Å
403	K	94.9	Very high	95	Very high	130 Å²	130	46 Å²	46	57%	0.565	28%	0.275	S	S	*	.	H	α-helix	trans	-64.2	-44.4	175.3	-178.8	-180	165.7	-133.3	0	112	A399 T400 L401 G405 A406 E500	A399-K403 VanDerWaalsContact O-CB 3.28Å; A399-K403 WeakPolarHBondContact O-CB 3.44Å; A399-K403 PolarHBondContact O-N 2.87Å; T400-K403 PolarHBondContact O-N 3.01Å; L401-K403 VanDerWaalsContact C-N 3.29Å; L401-K403 PolarHBondContact O-N 2.99Å; K403-G405 VanDerWaalsContact C-N 3.26Å; K403-G405 PolarHBondContact O-N 3.14Å; K403-A406 WeakPolarHBondContact O-CB 3.42Å; K403-A406 PolarHBondContact O-N 3.2Å; K403-E500 WeakPolarHBondContact CD-OE2 3.44Å; K403-E500 WeakPolarHBondContact CE-OE2 3.49Å; K403-E500 IonicContact NZ-OE1 3.24Å; K403-E500 IonicContact NZ-OE2 3.88Å; K403-E500 PolarHBondContact NZ-OE2 3.03Å
404	S	93.8	Very high	95	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-30.2	179.8	79	0	0	0	0	112.5	T400 L401 V493 A497	T400-S404 WeakPolarHBondContact O-CB 3.42Å; T400-S404 PolarHBondContact O-N 3.45Å; L401-S404 PolarHBondContact O-N 3.43Å; L401-S404 PolarHBondContact O-OG 3.06Å; S404-V493 PolarHBondContact OG-O 3.23Å; S404-A497 WeakPolarHBondContact OG-CB 3.23Å
405	G	92.6	Very high	95	Very high	6 Å²	6	50.6 Å²	50.6	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	-74.6	-27	174.9	0	0	0	0	0	114.6	L401 E402 K403 G407 V408	L401-G405 PolarHBondContact O-N 3.11Å; E402-G405 PolarHBondContact O-N 2.85Å; K403-G405 VanDerWaalsContact C-N 3.26Å; K403-G405 PolarHBondContact O-N 3.14Å; G405-G407 PolarHBondContact O-N 2.86Å; G405-G407 VanDerWaalsContact O-N 3.07Å; G405-V408 PolarHBondContact O-N 2.96Å
406	A	91.6	Very high	94.9	Very high	87 Å²	87	48.3 Å²	48.3	72%	0.719	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.8	-175.8	0	0	0	0	0	113.9	E402 K403 V408	E402-A406 PolarHBondContact O-N 2.87Å; E402-A406 VanDerWaalsContact O-N 3.16Å; K403-A406 WeakPolarHBondContact O-CB 3.42Å; K403-A406 PolarHBondContact O-N 3.2Å; A406-V408 VanDerWaalsContact C-N 3.34Å
407	G	88.3	Confident	94.4	Very high	50 Å²	50	49.9 Å²	49.9	52%	0.515	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.9	177.4	0	0	0	0	0	115.3	G405	G405-G407 PolarHBondContact O-N 2.86Å; G405-G407 VanDerWaalsContact O-N 3.07Å
408	V	93.7	Very high	93.8	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.079	32%	0.32	C	S	.	.			trans	-130.7	91.6	-178.1	-173.9	0	0	0	0	109.4	G405 A406 A410 V411 D489 T492 V493	G405-V408 PolarHBondContact O-N 2.96Å; A406-V408 VanDerWaalsContact C-N 3.34Å; V408-A410 HydrophobicContact CG1-CB 4.38Å; V408-A410 PolarHBondContact O-N 2.95Å; V408-V411 HydrophobicContact CG1-CG2 4.3Å; V408-V411 PolarHBondContact O-N 2.82Å; V408-D489 HydrophobicContact CG1-CB 4Å; V408-T492 HydrophobicContact CG2-CG2 3.87Å; V408-V493 HydrophobicContact CB-CG2 4.01Å; V408-V493 HydrophobicContact CG1-CG2 4.45Å; V408-V493 HydrophobicContact CG2-CG2 4.15Å
409	P	92.4	Very high	93.4	Very high	122 Å²	122	60.7 Å²	60.7	79%	0.792	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.6	-172.8	27.7	-35.8	0	0	0	113.7	V411	P409-V411 PolarHBondContact O-N 3.22Å
410	A	94.6	Very high	93.2	Very high	29 Å²	29	59.8 Å²	59.8	24%	0.24	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.4	175.4	0	0	0	0	0	113.3	R371 V408 D489	R371-A410 PolarHBondContact NH2-O 3.29Å; V408-A410 HydrophobicContact CG1-CB 4.38Å; V408-A410 PolarHBondContact O-N 2.95Å; A410-D489 HydrophobicContact CB-CB 4.14Å; A410-D489 WeakPolarHBondContact CB-OD2 3.44Å
411	V	96.2	Very high	93.1	Very high	7 Å²	7	59 Å²	59	4%	0.042	33%	0.332	C	S	.	.			trans	-126.6	117.1	176.5	-173.7	0	0	0	0	111	R371 L376 V408 P409 D489 V490 V493	R371-V411 VanDerWaalsContact NH2-CA 3.33Å; L376-V411 HydrophobicContact CB-CG1 3.96Å; L376-V411 HydrophobicContact CD2-CG1 3.99Å; V408-V411 HydrophobicContact CG1-CG2 4.3Å; V408-V411 PolarHBondContact O-N 2.82Å; P409-V411 PolarHBondContact O-N 3.22Å; V411-D489 HydrophobicContact CG2-CB 3.76Å; V411-V490 HydrophobicContact CG2-CG2 4.19Å; V411-V493 HydrophobicContact CB-CG2 3.92Å; V411-V493 HydrophobicContact CG1-CG2 4.18Å; V411-V493 HydrophobicContact CG2-CG2 3.96Å
412	I	96.5	Very high	93.1	Very high	71 Å²	71	59 Å²	59	36%	0.364	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	99.8	177.3	-55.2	176.9	0	0	0	108.2	L374 E375 L376 R414	L374-I412 HydrophobicContact CB-CD1 4.46Å; L374-I412 HydrophobicContact CB-CG1 4.43Å; L374-I412 PolarHBondContact O-N 3.01Å; E375-I412 CarbonylContact C-O 3.48Å; E375-I412 WeakPolarHBondContact CA-O 3.28Å; L376-I412 PolarHBondContact N-O 3.27Å; I412-R414 HydrophobicContact CG2-CG 4.32Å
413	L	96.4	Very high	93.1	Very high	25 Å²	25	55.7 Å²	55.7	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.3	175.2	-71.6	169.6	0	0	0	110.8	L376 M378 L401 V493	L376-L413 HydrophobicContact CB-CD2 4.13Å; L376-L413 HydrophobicContact CD2-CD2 3.8Å; L376-L413 HydrophobicContact CG-CD2 4.16Å; L376-L413 CarbonylContact O-C 3.59Å; L376-L413 WeakPolarHBondContact O-CA 3.43Å; M378-L413 HydrophobicContact CE-CB 4.25Å; M378-L413 HydrophobicContact CG-CD2 4.15Å; M378-L413 HydrophobicContact SD-CB 4.4Å; M378-L413 HydrophobicContact SD-CD2 4.09Å; L401-L413 VanDerWaalsContact C-CD1 3.44Å; L401-L413 HydrophobicContact CB-CD1 4.37Å; L401-L413 WeakPolarHBondContact O-CD1 3.01Å; L413-V493 HydrophobicContact CD1-CG1 4.02Å
414	R	96.1	Very high	93.2	Very high	110 Å²	110	50.9 Å²	50.9	42%	0.415	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.3	175.9	-71.9	-159.4	173.2	161.6	9.5	112.4	E375 L376 W377 M378 I412	E375-R414 VanDerWaalsContact CD-NH1 3.35Å; E375-R414 IonicContact OE1-CZ 3.85Å; E375-R414 IonicContact OE1-NE 3.94Å; E375-R414 IonicContact OE1-NH1 2.72Å; E375-R414 PolarHBondContact OE1-NH1 2.82Å; E375-R414 IonicContact OE1-NH2 2.98Å; E375-R414 PolarHBondContact OE1-NH2 3.06Å; E375-R414 IonicContact OE2-NH1 2.74Å; L376-R414 PolarHBondContact O-N 3.08Å; W377-R414 CarbonylContact C-O 3.59Å; W377-R414 WeakPolarHBondContact CA-O 3.45Å; W377-R414 HydrophobicContact CD2-CB 4.24Å; W377-R414 HydrophobicContact CE3-CB 3.82Å; W377-R414 HydrophobicContact CH2-CB 4.3Å; W377-R414 HydrophobicContact CZ3-CB 3.86Å; M378-R414 PolarHBondContact N-O 2.88Å; I412-R414 HydrophobicContact CG2-CG 4.32Å
415	R	95	Very high	93.4	Very high	82 Å²	82	51.1 Å²	51.1	31%	0.309	30%	0.301	S	S	.	.			trans	-96.8	143	169.4	-58	179.3	-166.1	-159.1	4.5	109.2	W377 M378 E395 E402 N417	W377-R415 WeakPolarHBondContact CZ3-O 3.48Å; M378-R415 HydrophobicContact CE-CG 3.71Å; E395-R415 IonicContact OE1-NH1 3.45Å; E395-R415 PolarHBondContact OE1-NH1 3.21Å; E395-R415 IonicContact OE2-CZ 3.95Å; E395-R415 IonicContact OE2-NH1 2.68Å; E395-R415 PolarHBondContact OE2-NH1 3.2Å; E395-R415 IonicContact OE2-NH2 2.72Å; E402-R415 VanDerWaalsContact CD-NH2 3.31Å; E402-R415 IonicContact OE1-CZ 3.87Å; E402-R415 IonicContact OE1-NE 2.84Å; E402-R415 PolarHBondContact OE1-NE 3.33Å; E402-R415 IonicContact OE1-NH2 3.39Å; E402-R415 PolarHBondContact OE1-NH2 2.67Å; E402-R415 IonicContact OE2-CZ 3.7Å; E402-R415 IonicContact OE2-NE 3.23Å; E402-R415 IonicContact OE2-NH2 3.75Å; E402-R415 PolarHBondContact OE2-NH2 2.95Å; R415-N417 PolarHBondContact O-N 3.47Å
416	P	93.3	Very high	93.7	Very high	27 Å²	27	50.9 Å²	50.9	18%	0.175	30%	0.298	C	S	.	.			trans	-53.5	138.6	166.4	-25.6	34.9	0	0	0	111.1	M378 Q418 Q420	M378-P416 WeakPolarHBondContact O-CD 3.2Å; P416-Q418 VanDerWaalsContact C-N 3.31Å; P416-Q420 HydrophobicContact CB-CG 4.09Å; P416-Q420 HydrophobicContact CG-CG 4.45Å
417	N	86.3	Confident	94	Very high	142 Å²	142	46.8 Å²	46.8	76%	0.759	26%	0.264	S	S	*	.	S	Bend	trans	-77.6	-17.5	-176.1	61	-3.9	0	0	0	113.5	R415	R415-N417 PolarHBondContact O-N 3.47Å
418	Q	85.4	Confident	94.5	Very high	141 Å²	141	45 Å²	45	66%	0.659	24%	0.242	S	C	*	.	S	Bend	trans	-125	154.3	-179.6	-67.6	178.5	32.8	0	0	109.7	P416 Q420	P416-Q418 VanDerWaalsContact C-N 3.31Å; Q418-Q420 PolarHBondContact O-N 3.27Å; Q418-Q420 VanDerWaalsContact O-N 3.13Å
419	S	87.4	Confident	94.7	Very high	91 Å²	91	44.9 Å²	44.9	64%	0.636	24%	0.24	S	C	*	.			trans	-69.1	108.7	171.4	-173	0	0	0	0	108.7	P382	P382-S419 VanDerWaalsContact CB-OG 3.25Å; P382-S419 WeakPolarHBondContact CB-OG 3.43Å; P382-S419 WeakPolarHBondContact CG-OG 3.22Å
420	Q	93.6	Very high	94.9	Very high	25 Å²	25	39 Å²	39	12%	0.117	20%	0.203	C	C	.	.			trans	-129.8	157.4	-175.4	70.4	-179.8	22.7	0	0	110.1	I162 H379 P382 P416 Q418 S445	I162-Q420 HydrophobicContact CD1-CB 3.81Å; I162-Q420 HydrophobicContact CD1-CG 4.36Å; H379-Q420 PolarHBondContact CE1-NE2 2.67Å; H379-Q420 PolarHBondContact ND1-NE2 3.07Å; P382-Q420 WeakPolarHBondContact CD-O 3.1Å; P382-Q420 WeakPolarHBondContact CG-O 3.4Å; P416-Q420 HydrophobicContact CB-CG 4.09Å; P416-Q420 HydrophobicContact CG-CG 4.45Å; Q418-Q420 PolarHBondContact O-N 3.27Å; Q418-Q420 VanDerWaalsContact O-N 3.13Å; Q420-S445 PolarHBondContact NE2-O 2.64Å; Q420-S445 PolarHBondContact OE1-O 2.98Å
421	P	94.9	Very high	95.1	Very high	3 Å²	3	38 Å²	38	2%	0.019	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-64.4	160.2	179.6	25.2	-31.9	0	0	0	112.2	Y148 F156 E161 W164	Y148-P421 HydrophobicContact CD2-CB 4.14Å; Y148-P421 HydrophobicContact CE2-CB 3.64Å; F156-P421 HydrophobicContact CB-CB 3.91Å; F156-P421 HydrophobicContact CD1-CB 3.92Å; F156-P421 HydrophobicContact CD1-CG 4.01Å; F156-P421 HydrophobicContact CG-CB 3.88Å; F156-P421 HydrophobicContact CG-CG 4.45Å; E161-P421 HydrophobicContact CB-CG 4.42Å; W164-P421 WeakPolarHBondContact CH2-O 3.39Å; W164-P421 HydrophobicContact CZ2-CG 4.13Å; W164-P421 WeakPolarHBondContact CZ2-O 3.49Å
422	L	96.2	Very high	95	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.6	142.2	166.3	-81.4	174.9	0	0	0	111.6	Y148 W164 H379 D381 L427 Q428 L431 V440	Y148-L422 HydrophobicContact CE2-CB 4.09Å; Y148-L422 PolarHBondContact OH-N 3.23Å; Y148-L422 VanDerWaalsContact OH-N 3.1Å; W164-L422 VanDerWaalsContact CZ2-C 3.46Å; W164-L422 WeakPolarHBondContact CZ2-O 3.36Å; H379-L422 HydrophobicContact CB-CD2 3.97Å; D381-L422 HydrophobicContact CB-CD1 3.7Å; D381-L422 HydrophobicContact CB-CG 4.11Å; L422-L427 HydrophobicContact CD1-CD2 3.9Å; L422-L427 HydrophobicContact CD1-CG 4.26Å; L422-L427 HydrophobicContact CD2-CD2 4.35Å; L422-Q428 HydrophobicContact CB-CG 4.37Å; L422-Q428 HydrophobicContact CD1-CG 4.42Å; L422-Q428 PolarHBondContact O-NE2 2.87Å; L422-Q428 VanDerWaalsContact O-NE2 3.13Å; L422-L431 HydrophobicContact CD1-CD1 3.57Å; L422-V440 HydrophobicContact CD2-CG2 3.96Å
423	P	96.8	Very high	95	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.032	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-62.1	156.5	165.3	28.3	-34.6	0	0	0	111	W164 H379 S425 Q428 V440	W164-P423 HydrophobicContact CD2-CB 4.1Å; W164-P423 VanDerWaalsContact CE2-CA 3.48Å; W164-P423 HydrophobicContact CE3-CB 3.96Å; W164-P423 HydrophobicContact CH2-CB 3.95Å; W164-P423 HydrophobicContact CH2-CG 4.44Å; W164-P423 VanDerWaalsContact CZ2-CA 3.48Å; W164-P423 HydrophobicContact CZ2-CB 4.07Å; W164-P423 VanDerWaalsContact CZ2-N 3.34Å; W164-P423 HydrophobicContact CZ3-CB 3.89Å; H379-P423 HydrophobicContact CB-CG 4.16Å; P423-S425 PolarHBondContact O-N 3.01Å; P423-Q428 VanDerWaalsContact C-NE2 3.34Å; P423-Q428 PolarHBondContact O-NE2 2.76Å; P423-V440 HydrophobicContact CG-CB 4.23Å; P423-V440 HydrophobicContact CG-CG1 3.97Å
424	P	97.1	Very high	94.9	Very high	28 Å²	28	44.2 Å²	44.2	18%	0.182	22%	0.22	C	C	.	.	S	Bend	trans	-62.5	108.5	179.7	27.5	-36.9	0	0	0	109.9	P141 W164 Y337 F448	P141-P424 HydrophobicContact CG-CB 4.23Å; P141-P424 HydrophobicContact CG-CG 3.75Å; W164-P424 HydrophobicContact CG-CG 4.48Å; Y337-P424 VanDerWaalsContact OH-CA 3.22Å; Y337-P424 WeakPolarHBondContact OH-CA 3.22Å; Y337-P424 WeakPolarHBondContact OH-CB 3.3Å; P424-F448 HydrophobicContact CG-CZ 4Å
425	S	97.8	Very high	94.6	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.063	22%	0.22	C	C	.	.			trans	-151.8	162.9	-172.4	92.8	0	0	0	0	112	Y337 E364 P423 L427 Q428 V440	Y337-S425 WeakPolarHBondContact CE1-O 3.29Å; Y337-S425 PolarHBondContact OH-N 3.15Å; Y337-S425 VanDerWaalsContact OH-N 3.13Å; E364-S425 VanDerWaalsContact CD-CB 3.43Å; E364-S425 WeakPolarHBondContact OE2-CB 3.42Å; E364-S425 PolarHBondContact OE2-OG 3.27Å; P423-S425 PolarHBondContact O-N 3.01Å; S425-L427 PolarHBondContact O-N 3.13Å; S425-L427 WeakPolarHBondContact OG-CB 3.47Å; S425-L427 PolarHBondContact OG-N 3.03Å; S425-Q428 WeakPolarHBondContact O-CB 3.47Å; S425-Q428 PolarHBondContact O-N 3.27Å; S425-V440 WeakPolarHBondContact OG-CG2 3.24Å
426	S	98.3	Very high	94.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-34.2	179.1	-41.1	0	0	0	0	111.8	F330 E333 E364 Q428 R429 F430	F330-S426 VanDerWaalsContact CD2-OG 3.29Å; F330-S426 WeakPolarHBondContact CD2-OG 3.19Å; E333-S426 PolarHBondContact OE2-OG 3.11Å; E333-S426 VanDerWaalsContact OE2-OG 3.07Å; E364-S426 VanDerWaalsContact CD-N 3.29Å; E364-S426 WeakPolarHBondContact OE1-CB 3.45Å; E364-S426 PolarHBondContact OE1-N 3.31Å; E364-S426 PolarHBondContact OE1-OG 3.06Å; E364-S426 PolarHBondContact OE2-N 3.15Å; S426-Q428 PolarHBondContact O-N 3.08Å; S426-R429 WeakPolarHBondContact O-CA 3.49Å; S426-R429 WeakPolarHBondContact O-CB 3.14Å; S426-R429 PolarHBondContact O-N 3.44Å; S426-F430 WeakPolarHBondContact O-CD2 3.31Å; S426-F430 PolarHBondContact O-N 3.41Å
427	L	98.4	Very high	94.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-51.6	-37.1	174.9	175.1	59.2	0	0	0	111.6	F362 E364 L422 S425 R429 F430 L431 I436 V440	F362-L427 HydrophobicContact CB-CD1 4.13Å; F362-L427 HydrophobicContact CD1-CB 3.96Å; F362-L427 HydrophobicContact CD1-CD1 3.61Å; F362-L427 HydrophobicContact CD1-CG 4.24Å; F362-L427 HydrophobicContact CE1-CB 3.73Å; F362-L427 HydrophobicContact CE1-CD1 4.15Å; F362-L427 HydrophobicContact CE1-CG 4.49Å; F362-L427 HydrophobicContact CG-CD1 3.94Å; E364-L427 WeakPolarHBondContact OE2-CB 3.2Å; E364-L427 PolarHBondContact OE2-N 2.89Å; L422-L427 HydrophobicContact CD1-CD2 3.9Å; L422-L427 HydrophobicContact CD1-CG 4.26Å; L422-L427 HydrophobicContact CD2-CD2 4.35Å; S425-L427 PolarHBondContact O-N 3.13Å; S425-L427 WeakPolarHBondContact OG-CB 3.47Å; S425-L427 PolarHBondContact OG-N 3.03Å; L427-R429 PolarHBondContact O-N 2.98Å; L427-F430 PolarHBondContact O-N 3.24Å; L427-F430 VanDerWaalsContact O-N 3.13Å; L427-L431 HydrophobicContact CD1-CD1 4.19Å; L427-L431 HydrophobicContact CD1-CD2 4.47Å; L427-L431 HydrophobicContact CD1-CG 3.95Å; L427-L431 HydrophobicContact CD2-CD1 4.43Å; L427-L431 HydrophobicContact CG-CD1 3.89Å; L427-L431 HydrophobicContact CG-CG 4.15Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.18Å; L427-I436 HydrophobicContact CD1-CD1 3.9Å; L427-I436 HydrophobicContact CD1-CG1 4.11Å; L427-V440 HydrophobicContact CB-CG2 4.37Å; L427-V440 HydrophobicContact CD2-CG2 3.83Å
428	Q	97.8	Very high	95.2	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-34.1	176.4	-59.9	-162.5	21.9	0	0	111.9	V147 L422 P423 S425 S426 R432	V147-Q428 HydrophobicContact CG1-CB 4.21Å; V147-Q428 WeakPolarHBondContact CG1-O 3.39Å; V147-Q428 HydrophobicContact CG2-CB 4.39Å; V147-Q428 HydrophobicContact CG2-CG 4.34Å; L422-Q428 HydrophobicContact CB-CG 4.37Å; L422-Q428 HydrophobicContact CD1-CG 4.42Å; L422-Q428 PolarHBondContact O-NE2 2.87Å; L422-Q428 VanDerWaalsContact O-NE2 3.13Å; P423-Q428 VanDerWaalsContact C-NE2 3.34Å; P423-Q428 PolarHBondContact O-NE2 2.76Å; S425-Q428 WeakPolarHBondContact O-CB 3.47Å; S425-Q428 PolarHBondContact O-N 3.27Å; S426-Q428 PolarHBondContact O-N 3.08Å; Q428-R432 WeakPolarHBondContact O-CG 3.36Å; Q428-R432 PolarHBondContact O-N 3.05Å
429	R	97.4	Very high	95.8	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.038	13%	0.134	C	C	.	.	H	α-helix	trans	-69.4	-35.9	175.3	-64.4	-51.8	-61	-169.8	-7.8	113	F145 Y337 S340 S341 V344 S426 L427 E644	F145-R429 VanDerWaalsContact O-CD 3.31Å; F145-R429 WeakPolarHBondContact O-CD 3.25Å; F145-R429 PolarHBondContact O-NH1 3.23Å; Y337-R429 HydrophobicContact CD1-CG 4.27Å; Y337-R429 HydrophobicContact CD2-CG 3.86Å; Y337-R429 HydrophobicContact CG-CG 3.6Å; S340-R429 WeakPolarHBondContact OG-CG 3.45Å; S341-R429 PolarHBondContact OG-NH2 3.43Å; V344-R429 HydrophobicContact CG2-CB 4.43Å; S426-R429 WeakPolarHBondContact O-CA 3.49Å; S426-R429 WeakPolarHBondContact O-CB 3.14Å; S426-R429 PolarHBondContact O-N 3.44Å; L427-R429 PolarHBondContact O-N 2.98Å; R429-E644 PolarHBondContact NH2-O 2.89Å
430	F	98.1	Very high	96.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68	-43.9	175.1	-77.6	-99.1	0	0	0	111.5	F330 M343 V344 M347 L356 F362 S426 L427 R432 A433 R434 I436	F330-F430 HydrophobicContact CE2-CE2 4.1Å; F330-F430 AromaticContact CZ-CE2 3.67Å; F330-F430 HydrophobicContact CZ-CE2 3.67Å; F330-F430 AromaticContact CZ-CZ 3.89Å; F330-F430 HydrophobicContact CZ-CZ 3.89Å; M343-F430 HydrophobicContact CG-CZ 4.18Å; V344-F430 HydrophobicContact CG2-CB 4.49Å; V344-F430 HydrophobicContact CG2-CD1 3.92Å; V344-F430 HydrophobicContact CG2-CD2 3.83Å; V344-F430 HydrophobicContact CG2-CE1 4.01Å; V344-F430 HydrophobicContact CG2-CE2 3.91Å; V344-F430 HydrophobicContact CG2-CG 3.82Å; V344-F430 HydrophobicContact CG2-CZ 3.99Å; M347-F430 HydrophobicContact CE-CE1 4.2Å; M347-F430 HydrophobicContact CE-CZ 4.48Å; M347-F430 HydrophobicContact SD-CE1 3.73Å; M347-F430 HydrophobicContact SD-CZ 4.38Å; L356-F430 HydrophobicContact CD1-CD1 3.75Å; L356-F430 HydrophobicContact CD1-CE1 4.28Å; F362-F430 HydrophobicContact CD2-CD1 4.49Å; F362-F430 HydrophobicContact CD2-CG 4.41Å; F362-F430 HydrophobicContact CE2-CD1 4.13Å; F362-F430 AromaticContact CE2-CD2 3.66Å; F362-F430 HydrophobicContact CE2-CD2 3.66Å; F362-F430 HydrophobicContact CE2-CE1 4.14Å; F362-F430 AromaticContact CE2-CE2 3.69Å; F362-F430 HydrophobicContact CE2-CE2 3.69Å; F362-F430 AromaticContact CE2-CG 3.9Å; F362-F430 HydrophobicContact CE2-CG 3.9Å; F362-F430 AromaticContact CE2-CZ 3.94Å; F362-F430 HydrophobicContact CE2-CZ 3.94Å; F362-F430 AromaticContact CZ-CD2 3.84Å; F362-F430 HydrophobicContact CZ-CD2 3.84Å; F362-F430 AromaticContact CZ-CE2 3.94Å; F362-F430 HydrophobicContact CZ-CE2 3.94Å; F362-F430 HydrophobicContact CZ-CG 4.43Å; S426-F430 WeakPolarHBondContact O-CD2 3.31Å; S426-F430 PolarHBondContact O-N 3.41Å; L427-F430 PolarHBondContact O-N 3.24Å; L427-F430 VanDerWaalsContact O-N 3.13Å; F430-R432 PolarHBondContact O-N 3.05Å; F430-A433 PolarHBondContact O-N 2.83Å; F430-R434 PolarHBondContact O-N 2.99Å; F430-I436 HydrophobicContact CB-CD1 3.62Å; F430-I436 HydrophobicContact CB-CG1 4.48Å; F430-I436 HydrophobicContact CD1-CD1 4.38Å; F430-I436 HydrophobicContact CG-CD1 4.28Å
431	L	97.3	Very high	96.5	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-27	178.7	-72.3	175.2	0	0	0	113.4	V147 D381 L422 L427 A433 R434 I436	V147-L431 HydrophobicContact CG1-CB 3.41Å; V147-L431 VanDerWaalsContact CG1-CB 3.41Å; D381-L431 HydrophobicContact CB-CD1 3.87Å; L422-L431 HydrophobicContact CD1-CD1 3.57Å; L427-L431 HydrophobicContact CD1-CD1 4.19Å; L427-L431 HydrophobicContact CD1-CD2 4.47Å; L427-L431 HydrophobicContact CD1-CG 3.95Å; L427-L431 HydrophobicContact CD2-CD1 4.43Å; L427-L431 HydrophobicContact CG-CD1 3.89Å; L427-L431 HydrophobicContact CG-CG 4.15Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.18Å; L431-A433 VanDerWaalsContact C-N 3.28Å; L431-A433 PolarHBondContact O-N 2.92Å; L431-R434 WeakPolarHBondContact CA-O 3.34Å; L431-I436 HydrophobicContact CD2-CG1 3.86Å; L431-I436 HydrophobicContact CG-CG1 4.5Å
432	R	95.6	Very high	96.7	Very high	91 Å²	91	19.3 Å²	19.3	34%	0.343	10%	0.098	S	C	.	.	H	α-helix	trans	-63.5	-32.3	172.2	-77.4	-176.1	64.3	148.6	-3.7	113.5	G146 V147 Q428 F430 E644	G146-R432 WeakPolarHBondContact O-CD 3.32Å; V147-R432 HydrophobicContact CB-CG 4.43Å; V147-R432 HydrophobicContact CG1-CG 3.83Å; Q428-R432 WeakPolarHBondContact O-CG 3.36Å; Q428-R432 PolarHBondContact O-N 3.05Å; F430-R432 PolarHBondContact O-N 3.05Å; R432-E644 IonicContact CZ-OE1 2.93Å; R432-E644 IonicContact NH2-OE1 2.61Å; R432-E644 PolarHBondContact NH2-OE1 2.93Å
433	A	95.3	Very high	96.7	Very high	47 Å²	47	19.2 Å²	19.2	39%	0.388	10%	0.098	S	C	.	.	H	α-helix	trans	-95.4	-34.4	-177.4	0	0	0	0	0	112.2	V344 L356 F430 L431	V344-A433 HydrophobicContact CG1-CB 3.5Å; V344-A433 VanDerWaalsContact CG1-CB 3.5Å; L356-A433 HydrophobicContact CD2-CB 3.57Å; F430-A433 PolarHBondContact O-N 2.83Å; L431-A433 VanDerWaalsContact C-N 3.28Å; L431-A433 PolarHBondContact O-N 2.92Å
434	R	93.9	Very high	96.7	Very high	96 Å²	96	19.1 Å²	19.1	36%	0.362	10%	0.097	S	C	.	.			trans	-153.7	137.2	179.2	-176.8	178.3	-179.1	136.2	-6.3	111.4	L356 F430 L431 I436	L356-R434 HydrophobicContact CD2-CB 3.5Å; L356-R434 VanDerWaalsContact CD2-CB 3.5Å; L356-R434 HydrophobicContact CG-CB 3.84Å; L356-R434 WeakPolarHBondContact O-CD 3.46Å; F430-R434 PolarHBondContact O-N 2.99Å; L431-R434 WeakPolarHBondContact CA-O 3.34Å; R434-I436 HydrophobicContact CB-CG2 4.25Å; R434-I436 HydrophobicContact CG-CG2 3.97Å; R434-I436 PolarHBondContact O-N 3.45Å
435	N	91.7	Very high	96.6	Very high	81 Å²	81	20.1 Å²	20.1	43%	0.433	10%	0.104	S	C	.	.			trans	-67.5	108	169.3	-61.4	-8.9	0	0	0	108.9	V390	V390-N435 HydrophobicContact CG2-CB 4.45Å
436	I	93.3	Very high	96.5	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.036	11%	0.109	C	C	.	.			trans	-120.7	156.3	179	59.5	169.6	0	0	0	110.1	V359 F362 L427 F430 L431 R434 G438	V359-I436 HydrophobicContact CG1-CD1 4.15Å; V359-I436 HydrophobicContact CG1-CG2 4.41Å; F362-I436 HydrophobicContact CB-CD1 3.81Å; F362-I436 HydrophobicContact CD2-CD1 3.98Å; F362-I436 HydrophobicContact CG-CD1 4.07Å; L427-I436 HydrophobicContact CD1-CD1 3.9Å; L427-I436 HydrophobicContact CD1-CG1 4.11Å; F430-I436 HydrophobicContact CB-CD1 3.62Å; F430-I436 HydrophobicContact CB-CG1 4.48Å; F430-I436 HydrophobicContact CD1-CD1 4.38Å; F430-I436 HydrophobicContact CG-CD1 4.28Å; L431-I436 HydrophobicContact CD2-CG1 3.86Å; L431-I436 HydrophobicContact CG-CG1 4.5Å; R434-I436 HydrophobicContact CB-CG2 4.25Å; R434-I436 HydrophobicContact CG-CG2 3.97Å; R434-I436 PolarHBondContact O-N 3.45Å; I436-G438 PolarHBondContact O-N 3.45Å
437	S	95.1	Very high	96.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	101.7	176.4	-61.7	0	0	0	0	109.4	S361 F362 Q393	S361-S437 WeakPolarHBondContact CA-O 3.48Å; F362-S437 PolarHBondContact N-O 2.96Å; Q393-S437 WeakPolarHBondContact CB-OG 3.26Å; Q393-S437 PolarHBondContact OE1-OG 2.81Å
438	G	96.9	Very high	96.4	Very high	5 Å²	5	23.1 Å²	23.1	5%	0.052	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.4	-172.1	0	0	0	0	0	113.7	F362 I436	F362-G438 CarbonylContact O-C 3.59Å; F362-G438 VanDerWaalsContact O-CA 3.24Å; F362-G438 WeakPolarHBondContact O-CA 3.4Å; I436-G438 PolarHBondContact O-N 3.45Å
439	V	98.3	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.4	172.8	174.8	0	0	0	0	109.6	F362 V363 E364 M378 H379 T380 L397 L398 L401 L441	F362-V439 PolarHBondContact O-N 3.04Å; V363-V439 WeakPolarHBondContact CA-O 3.38Å; E364-V439 PolarHBondContact N-O 2.66Å; M378-V439 HydrophobicContact CB-CG1 3.87Å; M378-V439 HydrophobicContact CG-CG1 4.37Å; H379-V439 WeakPolarHBondContact O-CA 3.5Å; T380-V439 HydrophobicContact CG2-CG2 3.75Å; L397-V439 HydrophobicContact CD2-CB 4.22Å; L397-V439 HydrophobicContact CD2-CG2 3.53Å; L397-V439 HydrophobicContact CG-CG2 3.77Å; L398-V439 HydrophobicContact CD2-CG1 4.37Å; L398-V439 HydrophobicContact CD2-CG2 3.82Å; L398-V439 HydrophobicContact CG-CG2 4.35Å; L401-V439 HydrophobicContact CD1-CB 4.1Å; L401-V439 HydrophobicContact CD1-CG1 3.79Å; L401-V439 HydrophobicContact CD1-CG2 4.07Å; V439-L441 HydrophobicContact CG1-CD2 3.99Å
440	V	98.6	Very high	96.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.7	169.1	-173.8	0	0	0	0	109.1	E364 H379 L422 P423 S425 L427	E364-V440 HydrophobicContact CB-CG1 4.44Å; E364-V440 HydrophobicContact CB-CG2 4.25Å; E364-V440 CarbonylContact O-C 3.36Å; E364-V440 WeakPolarHBondContact O-CA 3.25Å; H379-V440 HydrophobicContact CB-CB 4.28Å; H379-V440 PolarHBondContact N-O 2.87Å; H379-V440 PolarHBondContact O-N 2.77Å; L422-V440 HydrophobicContact CD2-CG2 3.96Å; P423-V440 HydrophobicContact CG-CB 4.23Å; P423-V440 HydrophobicContact CG-CG1 3.97Å; S425-V440 WeakPolarHBondContact OG-CG2 3.24Å; L427-V440 HydrophobicContact CB-CG2 4.37Å; L427-V440 HydrophobicContact CD2-CG2 3.83Å
441	L	98.6	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.7	173.8	-58.8	-180	0	0	0	109.6	V363 E364 L365 G366 L376 W377 M378 L401 V439 L494	V363-L441 HydrophobicContact CG1-CD1 4Å; V363-L441 HydrophobicContact CG1-CG 4.24Å; E364-L441 PolarHBondContact O-N 2.83Å; L365-L441 HydrophobicContact CG-CB 4.31Å; G366-L441 PolarHBondContact N-O 3.24Å; L376-L441 HydrophobicContact CD1-CB 4.48Å; L376-L441 HydrophobicContact CD2-CB 4.42Å; L376-L441 HydrophobicContact CD2-CD1 4.45Å; L376-L441 HydrophobicContact CG-CB 4.49Å; W377-L441 WeakPolarHBondContact O-CA 3.37Å; M378-L441 HydrophobicContact CB-CD2 4.39Å; M378-L441 HydrophobicContact CG-CD2 3.63Å; M378-L441 HydrophobicContact SD-CD2 4.49Å; L401-L441 HydrophobicContact CD1-CD2 4.44Å; L401-L441 HydrophobicContact CD2-CD1 4.39Å; L401-L441 HydrophobicContact CD2-CD2 4.48Å; V439-L441 HydrophobicContact CG1-CD2 3.99Å; L441-L494 HydrophobicContact CD1-CD1 4.23Å
442	A	98	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.6	-175.6	0	0	0	0	0	112.5	G366 Q367 L376 W377 H444	G366-A442 VanDerWaalsContact O-CA 3.3Å; G366-A442 WeakPolarHBondContact O-CA 3.35Å; G366-A442 VanDerWaalsContact O-CB 3.25Å; G366-A442 WeakPolarHBondContact O-CB 3.41Å; Q367-A442 CarbonylContact O-C 3.59Å; L376-A442 WeakPolarHBondContact CD1-O 3.42Å; W377-A442 PolarHBondContact N-O 3.11Å; W377-A442 PolarHBondContact O-N 2.76Å; A442-H444 VanDerWaalsContact C-N 3.29Å
443	D	97.1	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-77.4	-14.4	177.3	64.6	7.2	0	0	0	113.7	Q367 L370 R371 H449	Q367-D443 VanDerWaalsContact O-CB 3.22Å; Q367-D443 WeakPolarHBondContact O-CB 3.32Å; Q367-D443 PolarHBondContact O-N 2.98Å; Q367-D443 VanDerWaalsContact O-OD1 3.13Å; L370-D443 WeakPolarHBondContact CA-OD2 3.43Å; L370-D443 WeakPolarHBondContact CB-OD2 3.37Å; L370-D443 PolarHBondContact N-OD2 2.78Å; R371-D443 HydrophobicContact CG-CB 4.03Å; D443-H449 PolarHBondContact O-CD2 3.2Å; D443-H449 VanDerWaalsContact O-CD2 3.23Å; D443-H449 PolarHBondContact O-NE2 3.45Å
444	H	96.5	Very high	96.5	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.014	13%	0.129	C	C	.	.			trans	-113.6	143.7	-175.1	54	-85.5	0	0	0	112.1	W164 W377 H379 A442 G446 F448	W164-H444 AromaticContact CZ3-CD2 3.93Å; W377-H444 WeakPolarHBondContact CB-O 3.44Å; W377-H444 VanDerWaalsContact CD1-C 3.42Å; H379-H444 PolarHBondContact CE1-O 3.14Å; H379-H444 PolarHBondContact NE2-O 2.85Å; A442-H444 VanDerWaalsContact C-N 3.29Å; H444-G446 PolarHBondContact CD2-O 3.47Å; H444-F448 AromaticContact CD2-CD1 3.83Å; H444-F448 AromaticContact CE1-CD1 3.41Å; H444-F448 VanDerWaalsContact CE1-CD1 3.41Å; H444-F448 WeakPolarHBondContact CE1-CD1 3.46Å; H444-F448 AromaticContact CE1-CE1 3.59Å; H444-F448 AromaticContact CG-CD1 3.99Å; H444-F448 AromaticContact ND1-CD1 3.75Å; H444-F448 AromaticContact NE2-CD1 3.45Å; H444-F448 WeakPolarHBondContact NE2-CD1 3.46Å; H444-F448 AromaticContact NE2-CE1 3.44Å; H444-F448 WeakPolarHBondContact NE2-CE1 3.48Å
445	S	95.3	Very high	96.7	Very high	48 Å²	48	20.3 Å²	20.3	34%	0.336	11%	0.112	S	C	.	.	S	Bend	trans	-85.8	-27.9	169.7	52.6	0	0	0	0	113.4	H379 Q420	H379-S445 PolarHBondContact CE1-O 2.86Å; Q420-S445 PolarHBondContact NE2-O 2.64Å; Q420-S445 PolarHBondContact OE1-O 2.98Å
446	G	94.7	Very high	97	Very high	15 Å²	15	17 Å²	17	16%	0.155	9%	0.094	C	C	.	.	S	Bend	trans	-137.5	-117.3	-177.7	0	0	0	0	0	110.2	W164 H444	W164-G446 WeakPolarHBondContact CZ3-O 3.43Å; H444-G446 PolarHBondContact CD2-O 3.47Å
447	A	96.8	Very high	97.1	Very high	38 Å²	38	16.8 Å²	16.8	31%	0.314	9%	0.093	S	C	.	.	S	Bend	trans	-59	148.5	172.8	0	0	0	0	0	112.1	Q163 W164	Q163-A447 WeakPolarHBondContact O-CB 3.45Å; W164-A447 CarbonylContact O-C 3.43Å; W164-A447 WeakPolarHBondContact O-CA 3.49Å
448	F	97.5	Very high	97.3	Very high	21 Å²	21	16.8 Å²	16.8	9%	0.092	9%	0.093	C	C	.	.			trans	-56.8	141.1	-179.2	-59.6	-32.4	0	0	0	112.2	W164 N165 Q367 P424 H444 N450 Y453	W164-F448 HydrophobicContact CB-CD1 4.45Å; W164-F448 HydrophobicContact CB-CD2 4.49Å; W164-F448 HydrophobicContact CB-CE1 3.88Å; W164-F448 HydrophobicContact CB-CE2 3.92Å; W164-F448 HydrophobicContact CB-CZ 3.59Å; W164-F448 HydrophobicContact CE3-CE1 4.24Å; W164-F448 HydrophobicContact CG-CZ 4.42Å; W164-F448 VanDerWaalsContact O-CD2 3.3Å; W164-F448 WeakPolarHBondContact O-CD2 2.94Å; W164-F448 VanDerWaalsContact O-CG 3.25Å; W164-F448 WeakPolarHBondContact O-CG 3.4Å; W164-F448 PolarHBondContact O-N 2.9Å; N165-F448 HydrophobicContact CB-CD2 4.07Å; N165-F448 HydrophobicContact CB-CE2 4.14Å; Q367-F448 VanDerWaalsContact NE2-CD1 3.27Å; Q367-F448 VanDerWaalsContact NE2-CZ 3.3Å; P424-F448 HydrophobicContact CG-CZ 4Å; H444-F448 AromaticContact CD2-CD1 3.83Å; H444-F448 AromaticContact CE1-CD1 3.41Å; H444-F448 VanDerWaalsContact CE1-CD1 3.41Å; H444-F448 WeakPolarHBondContact CE1-CD1 3.46Å; H444-F448 AromaticContact CE1-CE1 3.59Å; H444-F448 AromaticContact CG-CD1 3.99Å; H444-F448 AromaticContact ND1-CD1 3.75Å; H444-F448 AromaticContact NE2-CD1 3.45Å; H444-F448 WeakPolarHBondContact NE2-CD1 3.46Å; H444-F448 AromaticContact NE2-CE1 3.44Å; H444-F448 WeakPolarHBondContact NE2-CE1 3.48Å; F448-N450 VanDerWaalsContact C-N 3.28Å; F448-Y453 HydrophobicContact CD2-CD2 4.01Å; F448-Y453 HydrophobicContact CD2-CE2 4.4Å; F448-Y453 HydrophobicContact CD2-CG 4.09Å; F448-Y453 HydrophobicContact CE2-CD1 4.3Å; F448-Y453 AromaticContact CE2-CD2 3.96Å; F448-Y453 HydrophobicContact CE2-CD2 3.96Å; F448-Y453 HydrophobicContact CE2-CE1 4.23Å; F448-Y453 AromaticContact CE2-CE2 3.89Å; F448-Y453 HydrophobicContact CE2-CE2 3.89Å; F448-Y453 HydrophobicContact CE2-CG 4.17Å
449	H	97.2	Very high	97.3	Very high	63 Å²	63	18.4 Å²	18.4	29%	0.292	10%	0.102	S	C	.	.	S	Bend	trans	-74.6	-23.4	167.5	-68.4	-42.7	0	0	0	112.1	L370 D443 K451	L370-H449 HydrophobicContact CB-CB 4Å; L370-H449 HydrophobicContact CD1-CB 4.38Å; L370-H449 PolarHBondContact O-CD2 2.83Å; D443-H449 PolarHBondContact O-CD2 3.2Å; D443-H449 VanDerWaalsContact O-CD2 3.23Å; D443-H449 PolarHBondContact O-NE2 3.45Å; H449-K451 PolarHBondContact O-N 3.3Å; H449-K451 VanDerWaalsContact O-N 3.13Å
450	N	97.6	Very high	97.2	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	11%	0.105	C	C	.	.			trans	-68.8	105.8	177.9	-174.2	-0.9	0	0	0	112.2	E296 L370 F448 Y452 Y453 D458 N462	E296-N450 WeakPolarHBondContact CB-ND2 3.26Å; E296-N450 HydrophobicContact CG-CB 4.02Å; E296-N450 WeakPolarHBondContact OE2-CB 3.02Å; E296-N450 PolarHBondContact OE2-ND2 3.5Å; L370-N450 HydrophobicContact CD1-CB 4.24Å; F448-N450 VanDerWaalsContact C-N 3.28Å; N450-Y452 PolarHBondContact O-N 3.21Å; N450-Y452 PolarHBondContact OD1-N 2.99Å; N450-Y453 PolarHBondContact OD1-N 2.89Å; N450-D458 PolarHBondContact ND2-OD2 3.23Å; N450-N462 PolarHBondContact OD1-ND2 2.82Å
451	K	97.2	Very high	97.1	Very high	105 Å²	105	23.2 Å²	23.2	46%	0.457	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.5	178.8	-59.4	-177.9	-172.4	175.5	0	114.2	G133 F134 L167 H449	G133-K451 WeakPolarHBondContact CA-O 3.23Å; F134-K451 PolarHBondContact N-O 3.01Å; L167-K451 HydrophobicContact CD1-CB 4.07Å; L167-K451 HydrophobicContact CD1-CG 4.15Å; H449-K451 PolarHBondContact O-N 3.3Å; H449-K451 VanDerWaalsContact O-N 3.13Å
452	Y	97.6	Very high	97	Very high	22 Å²	22	24.2 Å²	24.2	9%	0.086	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	29.6	-173.7	-53.5	-71.1	0	0	0	111.6	P130 N450 Q454 S455 Y457 D458 N462	P130-Y452 PolarHBondContact O-OH 3Å; N450-Y452 PolarHBondContact O-N 3.21Å; N450-Y452 PolarHBondContact OD1-N 2.99Å; Y452-Q454 PolarHBondContact O-N 2.95Å; Y452-Q454 VanDerWaalsContact O-N 3.14Å; Y452-S455 WeakPolarHBondContact O-CB 3.21Å; Y452-S455 PolarHBondContact O-N 3.14Å; Y452-S455 VanDerWaalsContact O-N 3.09Å; Y452-Y457 HydrophobicContact CD1-CD2 4.19Å; Y452-Y457 HydrophobicContact CD1-CG 4.09Å; Y452-Y457 HydrophobicContact CE1-CD2 4.42Å; Y452-Y457 HydrophobicContact CE1-CG 4.25Å; Y452-D458 WeakPolarHBondContact O-CB 3.46Å; Y452-N462 HydrophobicContact CD2-CB 4.45Å; Y452-N462 WeakPolarHBondContact CD2-OD1 3.21Å
453	Y	98.3	Very high	96.9	Very high	8 Å²	8	24.4 Å²	24.4	3%	0.031	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	122.1	179.2	-177.7	-106.9	0	0	0	111.7	S135 P141 N165 R281 F448 N450 S455	S135-Y453 WeakPolarHBondContact CB-O 3.25Å; S135-Y453 PolarHBondContact OG-O 3.02Å; P141-Y453 HydrophobicContact CB-CE1 4.14Å; P141-Y453 HydrophobicContact CG-CE1 4.1Å; N165-Y453 HydrophobicContact CB-CD1 4.24Å; R281-Y453 PolarHBondContact NH1-OH 3.42Å; F448-Y453 HydrophobicContact CD2-CD2 4.01Å; F448-Y453 HydrophobicContact CD2-CE2 4.4Å; F448-Y453 HydrophobicContact CD2-CG 4.09Å; F448-Y453 HydrophobicContact CE2-CD1 4.3Å; F448-Y453 AromaticContact CE2-CD2 3.96Å; F448-Y453 HydrophobicContact CE2-CD2 3.96Å; F448-Y453 HydrophobicContact CE2-CE1 4.23Å; F448-Y453 AromaticContact CE2-CE2 3.89Å; F448-Y453 HydrophobicContact CE2-CE2 3.89Å; F448-Y453 HydrophobicContact CE2-CG 4.17Å; N450-Y453 PolarHBondContact OD1-N 2.89Å; Y453-S455 VanDerWaalsContact C-N 3.35Å; Y453-S455 PolarHBondContact O-N 2.9Å
454	Q	97.3	Very high	96.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	48.4	-179.8	-51.2	-62	123.8	0	0	113.4	P136 R285 S286 S297 T334 Y452	P136-Q454 WeakPolarHBondContact CD-O 3.5Å; P136-Q454 WeakPolarHBondContact CG-O 3.27Å; R285-Q454 HydrophobicContact CG-CB 4.22Å; R285-Q454 CarbonylContact O-C 3.59Å; R285-Q454 WeakPolarHBondContact O-CA 3.31Å; R285-Q454 WeakPolarHBondContact O-CB 3.16Å; R285-Q454 VanDerWaalsContact O-O 3.1Å; S286-Q454 WeakPolarHBondContact CA-O 3.35Å; S297-Q454 VanDerWaalsContact CB-OE1 3.26Å; S297-Q454 PolarHBondContact OG-OE1 2.75Å; T334-Q454 PolarHBondContact OG1-NE2 2.97Å; Y452-Q454 PolarHBondContact O-N 2.95Å; Y452-Q454 VanDerWaalsContact O-N 3.14Å
455	S	97.5	Very high	96.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	17%	0.165	C	C	.	.	S	Bend	trans	-126.4	164.7	-174.9	-167.1	0	0	0	0	111.7	F134 Y452 Y453 Y457 D458	F134-S455 WeakPolarHBondContact CD1-OG 3.46Å; F134-S455 WeakPolarHBondContact O-CB 3.45Å; F134-S455 PolarHBondContact O-OG 3.05Å; Y452-S455 WeakPolarHBondContact O-CB 3.21Å; Y452-S455 PolarHBondContact O-N 3.14Å; Y452-S455 VanDerWaalsContact O-N 3.09Å; Y453-S455 VanDerWaalsContact C-N 3.35Å; Y453-S455 PolarHBondContact O-N 2.9Å; S455-Y457 PolarHBondContact O-N 3.16Å; S455-D458 PolarHBondContact O-N 2.03Å
456	I	96.7	Very high	96.7	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.062	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.2	172.4	63.7	-177.2	0	0	0	112.7	L125 L182 S286 F288 V291	L125-I456 HydrophobicContact CD1-CD1 3.65Å; L125-I456 HydrophobicContact CD1-CG1 4.15Å; L182-I456 HydrophobicContact CD1-CD1 3.99Å; L182-I456 HydrophobicContact CD2-CD1 4.42Å; L182-I456 HydrophobicContact CD2-CG2 4.22Å; S286-I456 WeakPolarHBondContact OG-CG2 3.46Å; F288-I456 HydrophobicContact CD2-CG2 3.74Å; F288-I456 HydrophobicContact CE2-CD1 4.45Å; F288-I456 HydrophobicContact CE2-CG2 4.48Å; V291-I456 HydrophobicContact CG1-CB 4.2Å; V291-I456 HydrophobicContact CG1-CG2 3.85Å
457	Y	97	Very high	96.7	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.012	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-5.4	-177.2	-65.6	-65.4	0	0	0	114.3	S100 L125 N129 P130 F134 Y452 S455 T459	S100-Y457 WeakPolarHBondContact CB-OH 3.47Å; S100-Y457 PolarHBondContact OG-OH 3.3Å; L125-Y457 HydrophobicContact CD1-CD1 4.36Å; L125-Y457 HydrophobicContact CD1-CE1 3.61Å; N129-Y457 HydrophobicContact CB-CD1 4.01Å; N129-Y457 HydrophobicContact CB-CE1 4.38Å; N129-Y457 VanDerWaalsContact OD1-CD1 3.31Å; N129-Y457 WeakPolarHBondContact OD1-CD1 3.24Å; P130-Y457 HydrophobicContact CG-CE2 3.92Å; F134-Y457 HydrophobicContact CB-CD2 4.42Å; F134-Y457 HydrophobicContact CD1-CD2 4.31Å; F134-Y457 HydrophobicContact CD1-CE2 4.38Å; Y452-Y457 HydrophobicContact CD1-CD2 4.19Å; Y452-Y457 HydrophobicContact CD1-CG 4.09Å; Y452-Y457 HydrophobicContact CE1-CD2 4.42Å; Y452-Y457 HydrophobicContact CE1-CG 4.25Å; S455-Y457 PolarHBondContact O-N 3.16Å; Y457-T459 PolarHBondContact O-N 3.42Å
458	D	97.6	Very high	96.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	-76.6	64	177.2	-166	11.6	0	0	0	111.2	P293 G294 A295 E296 S297 N450 Y452 S455 N462	P293-D458 CarbonylContact C-O 3.53Å; P293-D458 WeakPolarHBondContact CB-O 3.3Å; P293-D458 VanDerWaalsContact CG-O 3.26Å; P293-D458 WeakPolarHBondContact CG-O 3.28Å; G294-D458 WeakPolarHBondContact CA-OD2 3.36Å; G294-D458 PolarHBondContact N-O 3.25Å; G294-D458 VanDerWaalsContact N-O 3.11Å; A295-D458 VanDerWaalsContact CB-O 3.3Å; A295-D458 WeakPolarHBondContact CB-O 3.34Å; A295-D458 PolarHBondContact N-O 3.33Å; A295-D458 PolarHBondContact N-OD1 3.1Å; A295-D458 PolarHBondContact N-OD2 3.13Å; E296-D458 VanDerWaalsContact CB-OD1 3.29Å; E296-D458 WeakPolarHBondContact CB-OD1 3.23Å; E296-D458 PolarHBondContact N-OD1 2.95Å; S297-D458 WeakPolarHBondContact CB-OD2 3.42Å; S297-D458 PolarHBondContact N-OD2 2.7Å; S297-D458 VanDerWaalsContact N-OD2 3.14Å; S297-D458 PolarHBondContact OG-OD2 2.76Å; N450-D458 PolarHBondContact ND2-OD2 3.23Å; Y452-D458 WeakPolarHBondContact O-CB 3.46Å; S455-D458 PolarHBondContact O-N 2.03Å; D458-N462 PolarHBondContact OD1-ND2 2.64Å
459	T	97.1	Very high	96.2	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	21%	0.212	C	C	.	.	S	Bend	trans	-108.2	-178.3	-174.1	65.6	0	0	0	0	111.5	P293 A295 Y457 E461 N462	P293-T459 HydrophobicContact CB-CG2 3.92Å; P293-T459 HydrophobicContact CG-CG2 3.85Å; A295-T459 WeakPolarHBondContact CB-O 3.27Å; Y457-T459 PolarHBondContact O-N 3.42Å; T459-E461 PolarHBondContact O-N 3.47Å; T459-E461 VanDerWaalsContact O-N 3.11Å; T459-N462 VanDerWaalsContact O-CB 3.26Å; T459-N462 WeakPolarHBondContact O-CB 2.98Å; T459-N462 PolarHBondContact O-N 2.91Å
460	A	97.1	Very high	95.9	Very high	9 Å²	9	48.7 Å²	48.7	7%	0.074	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-36.2	174	0	0	0	0	0	113.4	N462 I463 N464 V465 L526 I527	A460-N462 VanDerWaalsContact C-N 3.28Å; A460-N462 PolarHBondContact O-N 3.09Å; A460-I463 PolarHBondContact O-N 3.45Å; A460-N464 PolarHBondContact O-N 2.84Å; A460-V465 HydrophobicContact CB-CB 4.08Å; A460-V465 HydrophobicContact CB-CG1 4.33Å; A460-V465 PolarHBondContact O-N 3Å; A460-L526 HydrophobicContact CB-CB 4.09Å; A460-I527 HydrophobicContact CB-CD1 3.81Å
461	E	95.5	Very high	95.7	Very high	95 Å²	95	50.6 Å²	50.6	44%	0.444	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.8	177.7	-66	175.5	177.4	0	0	112.4	K127 N129 T459 I463 N464	K127-E461 IonicContact NZ-OE1 3.35Å; K127-E461 PolarHBondContact NZ-OE1 2.89Å; K127-E461 IonicContact NZ-OE2 2.67Å; K127-E461 PolarHBondContact NZ-OE2 3.33Å; N129-E461 PolarHBondContact ND2-OE2 3.08Å; N129-E461 VanDerWaalsContact ND2-OE2 3.1Å; T459-E461 PolarHBondContact O-N 3.47Å; T459-E461 VanDerWaalsContact O-N 3.11Å; E461-I463 VanDerWaalsContact C-N 3.31Å; E461-I463 PolarHBondContact O-N 3.11Å; E461-N464 PolarHBondContact O-N 2.98Å
462	N	96.5	Very high	95.5	Very high	22 Å²	22	47.7 Å²	47.7	12%	0.118	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.3	-179.4	-171.3	31.2	0	0	0	111.8	N450 Y452 D458 T459 A460	N450-N462 PolarHBondContact OD1-ND2 2.82Å; Y452-N462 HydrophobicContact CD2-CB 4.45Å; Y452-N462 WeakPolarHBondContact CD2-OD1 3.21Å; D458-N462 PolarHBondContact OD1-ND2 2.64Å; T459-N462 VanDerWaalsContact O-CB 3.26Å; T459-N462 WeakPolarHBondContact O-CB 2.98Å; T459-N462 PolarHBondContact O-N 2.91Å; A460-N462 VanDerWaalsContact C-N 3.28Å; A460-N462 PolarHBondContact O-N 3.09Å
463	I	96.4	Very high	95.2	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	20.2	-179.3	63.7	164.2	0	0	0	112.7	A295 E296 A369 L370 A460 E461 V465 T483 L522 L526	A295-I463 HydrophobicContact CB-CD1 4.23Å; A295-I463 HydrophobicContact CB-CG1 4.24Å; A295-I463 HydrophobicContact CB-CG2 4.41Å; E296-I463 HydrophobicContact CB-CG2 3.57Å; E296-I463 HydrophobicContact CG-CG2 3.92Å; A369-I463 HydrophobicContact CB-CB 4.17Å; A369-I463 HydrophobicContact CB-CG2 3.66Å; L370-I463 HydrophobicContact CD2-CG2 4.5Å; A460-I463 PolarHBondContact O-N 3.45Å; E461-I463 VanDerWaalsContact C-N 3.31Å; E461-I463 PolarHBondContact O-N 3.11Å; I463-V465 VanDerWaalsContact C-N 3.26Å; I463-V465 HydrophobicContact CD1-CG2 3.81Å; I463-V465 HydrophobicContact CG1-CB 4.43Å; I463-V465 HydrophobicContact CG1-CG2 3.84Å; I463-V465 PolarHBondContact O-N 3.39Å; I463-T483 HydrophobicContact CB-CG2 4.47Å; I463-T483 HydrophobicContact CD1-CG2 4.44Å; I463-T483 WeakPolarHBondContact O-CG2 3.03Å; I463-T483 PolarHBondContact O-OG1 3.5Å; I463-L522 HydrophobicContact CD1-CD2 4.44Å; I463-L526 HydrophobicContact CD1-CD1 3.51Å; I463-L526 HydrophobicContact CG1-CD1 4.35Å
464	N	95.3	Very high	94.8	Very high	124 Å²	124	54.3 Å²	54.3	66%	0.663	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	34.8	178.6	-66.6	-18.7	0	0	0	114.9	A460 E461 S466	A460-N464 PolarHBondContact O-N 2.84Å; E461-N464 PolarHBondContact O-N 2.98Å; N464-S466 PolarHBondContact O-N 3.34Å
465	V	95.8	Very high	94.7	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.042	30%	0.3	C	S	.	.			trans	-87.8	99.8	170.7	172.6	0	0	0	0	108.2	A460 I463 Y467 T481 T483 L522	A460-V465 HydrophobicContact CB-CB 4.08Å; A460-V465 HydrophobicContact CB-CG1 4.33Å; A460-V465 PolarHBondContact O-N 3Å; I463-V465 VanDerWaalsContact C-N 3.26Å; I463-V465 HydrophobicContact CD1-CG2 3.81Å; I463-V465 HydrophobicContact CG1-CB 4.43Å; I463-V465 HydrophobicContact CG1-CG2 3.84Å; I463-V465 PolarHBondContact O-N 3.39Å; V465-Y467 HydrophobicContact CG1-CE2 3.58Å; V465-T481 HydrophobicContact CG1-CG2 4.49Å; V465-T483 HydrophobicContact CG2-CG2 4.16Å; V465-L522 HydrophobicContact CG2-CD1 4.31Å
466	S	94.1	Very high	94.5	Very high	89 Å²	89	60.3 Å²	60.3	62%	0.622	31%	0.305	S	S	*	.			trans	-129.5	143.8	177.6	60.9	0	0	0	0	110.8	N464	N464-S466 PolarHBondContact O-N 3.34Å
467	Y	93.6	Very high	94.3	Very high	39 Å²	39	60 Å²	60	15%	0.153	30%	0.303	C	S	.	.			trans	-114.7	144.7	179.9	-63.8	-89.6	0	0	0	110.4	V465 D476 F479 T481 Y523 I527	V465-Y467 HydrophobicContact CG1-CE2 3.58Å; Y467-D476 WeakPolarHBondContact CB-OD1 3.05Å; Y467-D476 HydrophobicContact CD1-CB 3.76Å; Y467-D476 HydrophobicContact CE1-CB 4.12Å; Y467-D476 VanDerWaalsContact CE1-O 3.22Å; Y467-D476 WeakPolarHBondContact CE1-O 3.49Å; Y467-D476 HydrophobicContact CG-CB 4.26Å; Y467-F479 HydrophobicContact CD1-CB 4.21Å; Y467-F479 AromaticContact CD1-CD1 3.85Å; Y467-F479 HydrophobicContact CD1-CD1 3.85Å; Y467-F479 HydrophobicContact CD1-CG 4.39Å; Y467-F479 HydrophobicContact CE1-CB 4.28Å; Y467-F479 HydrophobicContact CE1-CD1 4.11Å; Y467-T481 HydrophobicContact CD1-CG2 4.49Å; Y467-T481 HydrophobicContact CE1-CG2 3.93Å; Y467-Y523 HydrophobicContact CE1-CD2 4.11Å; Y467-Y523 HydrophobicContact CE2-CD2 4.01Å; Y467-Y523 AromaticContact CZ-CD2 3.68Å; Y467-I527 HydrophobicContact CD2-CD1 4.32Å; Y467-I527 HydrophobicContact CD2-CG1 4.27Å; Y467-I527 HydrophobicContact CE2-CD1 3.98Å; Y467-I527 HydrophobicContact CE2-CG1 3.63Å
468	P	93.5	Very high	94.3	Very high	30 Å²	30	63.4 Å²	63.4	20%	0.195	32%	0.322	C	S	.	.			trans	-61.9	135.9	172.6	-19.7	29.3	0	0	0	112.7	W470 L471 F479	P468-W470 HydrophobicContact CB-CD2 3.88Å; P468-W470 HydrophobicContact CB-CE3 4.06Å; P468-W470 HydrophobicContact CB-CH2 3.71Å; P468-W470 HydrophobicContact CB-CZ2 3.49Å; P468-W470 VanDerWaalsContact CB-CZ2 3.49Å; P468-W470 HydrophobicContact CB-CZ3 3.98Å; P468-W470 HydrophobicContact CG-CZ2 4.15Å; P468-W470 PolarHBondContact O-N 3.29Å; P468-W470 VanDerWaalsContact O-N 3.08Å; P468-L471 HydrophobicContact CB-CD1 4.26Å; P468-L471 HydrophobicContact CB-CG 4.19Å; P468-L471 HydrophobicContact CG-CD1 3.92Å; P468-L471 HydrophobicContact CG-CG 4.37Å; P468-L471 PolarHBondContact O-N 2.04Å; P468-F479 HydrophobicContact CG-CE2 4.3Å; P468-F479 HydrophobicContact CG-CZ 4.11Å
469	E	90.8	Very high	94.2	Very high	197 Å²	197	67.1 Å²	67.1	92%	0.921	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.9	-173.1	-64.8	-177.5	173.2	0	0	115.2
470	W	92	Very high	94.2	Very high	213 Å²	213	66.7 Å²	66.7	81%	0.807	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.4	-176.6	60.2	80.2	0	0	0	114.3	P468	P468-W470 HydrophobicContact CB-CD2 3.88Å; P468-W470 HydrophobicContact CB-CE3 4.06Å; P468-W470 HydrophobicContact CB-CH2 3.71Å; P468-W470 HydrophobicContact CB-CZ2 3.49Å; P468-W470 VanDerWaalsContact CB-CZ2 3.49Å; P468-W470 HydrophobicContact CB-CZ3 3.98Å; P468-W470 HydrophobicContact CG-CZ2 4.15Å; P468-W470 PolarHBondContact O-N 3.29Å; P468-W470 VanDerWaalsContact O-N 3.08Å
471	L	92.8	Very high	94.2	Very high	43 Å²	43	66.5 Å²	66.5	23%	0.225	33%	0.333	C	S	.	.	S	Bend	trans	-81.9	149.3	178.7	-65	-177.9	0	0	0	111.4	P468 E475 D476 F479	P468-L471 HydrophobicContact CB-CD1 4.26Å; P468-L471 HydrophobicContact CB-CG 4.19Å; P468-L471 HydrophobicContact CG-CD1 3.92Å; P468-L471 HydrophobicContact CG-CG 4.37Å; P468-L471 PolarHBondContact O-N 2.04Å; L471-E475 HydrophobicContact CB-CB 4.25Å; L471-E475 HydrophobicContact CD2-CB 4.32Å; L471-D476 VanDerWaalsContact CB-OD1 3.29Å; L471-D476 WeakPolarHBondContact CB-OD1 3.27Å; L471-F479 HydrophobicContact CD1-CB 4.16Å; L471-F479 HydrophobicContact CD1-CD2 3.84Å; L471-F479 HydrophobicContact CD1-CE2 4.48Å; L471-F479 HydrophobicContact CD1-CG 4.01Å
472	S	93.9	Very high	94.2	Very high	44 Å²	44	67.7 Å²	67.7	31%	0.308	34%	0.343	S	S	.	.			trans	-77.7	158.2	168.9	62.8	0	0	0	0	111.8	E474 E475 D476	S472-E474 PolarHBondContact O-N 2.91Å; S472-E475 WeakPolarHBondContact CB-OE2 3.43Å; S472-E475 PolarHBondContact N-OE2 3.41Å; S472-E475 WeakPolarHBondContact O-CA 3.37Å; S472-E475 WeakPolarHBondContact O-CB 3.45Å; S472-E475 PolarHBondContact O-N 3.33Å; S472-E475 WeakPolarHBondContact OG-CB 3.31Å; S472-E475 WeakPolarHBondContact OG-CG 3.37Å; S472-E475 PolarHBondContact OG-N 3.13Å; S472-E475 PolarHBondContact OG-OE2 3.43Å; S472-D476 PolarHBondContact O-N 3.24Å
473	P	90.4	Very high	94.2	Very high	58 Å²	58	67.6 Å²	67.6	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-56.5	-34	178.8	-26.6	35.8	0	0	0	114.3	L477 Y523	P473-L477 PolarHBondContact O-N 3.26Å; P473-Y523 PolarHBondContact O-OH 2.98Å
474	E	90.3	Very high	94.3	Very high	111 Å²	111	67.4 Å²	67.4	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-74.9	-29.2	176.4	-71.6	69.7	-156.5	0	0	113.1	S472 N478	S472-E474 PolarHBondContact O-N 2.91Å; E474-N478 PolarHBondContact O-ND2 2.87Å; E474-N478 VanDerWaalsContact O-ND2 3.13Å
475	E	93.7	Very high	94.4	Very high	106 Å²	106	65.9 Å²	65.9	50%	0.495	33%	0.33	S	S	.	.	H	α-helix	trans	-74.2	-40.2	172.2	-73.1	166	150.9	0	0	110.9	L471 S472 L477 N478 F479	L471-E475 HydrophobicContact CB-CB 4.25Å; L471-E475 HydrophobicContact CD2-CB 4.32Å; S472-E475 WeakPolarHBondContact CB-OE2 3.43Å; S472-E475 PolarHBondContact N-OE2 3.41Å; S472-E475 WeakPolarHBondContact O-CA 3.37Å; S472-E475 WeakPolarHBondContact O-CB 3.45Å; S472-E475 PolarHBondContact O-N 3.33Å; S472-E475 WeakPolarHBondContact OG-CB 3.31Å; S472-E475 WeakPolarHBondContact OG-CG 3.37Å; S472-E475 PolarHBondContact OG-N 3.13Å; S472-E475 PolarHBondContact OG-OE2 3.43Å; E475-L477 PolarHBondContact O-N 3.3Å; E475-N478 CarbonylContact O-C 3.41Å; E475-N478 PolarHBondContact O-N 3.38Å; E475-F479 PolarHBondContact O-N 2.81Å
476	D	93.4	Very high	94.4	Very high	22 Å²	22	67.1 Å²	67.1	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-41.3	174.2	-74.2	-25.9	0	0	0	111.7	Y467 L471 S472 N478 F479 Y523	Y467-D476 WeakPolarHBondContact CB-OD1 3.05Å; Y467-D476 HydrophobicContact CD1-CB 3.76Å; Y467-D476 HydrophobicContact CE1-CB 4.12Å; Y467-D476 VanDerWaalsContact CE1-O 3.22Å; Y467-D476 WeakPolarHBondContact CE1-O 3.49Å; Y467-D476 HydrophobicContact CG-CB 4.26Å; L471-D476 VanDerWaalsContact CB-OD1 3.29Å; L471-D476 WeakPolarHBondContact CB-OD1 3.27Å; S472-D476 PolarHBondContact O-N 3.24Å; D476-N478 PolarHBondContact O-N 3.43Å; D476-N478 VanDerWaalsContact O-N 3.15Å; D476-F479 PolarHBondContact O-N 2.77Å; D476-F479 VanDerWaalsContact O-N 3.09Å; D476-Y523 HydrophobicContact CB-CD2 3.92Å; D476-Y523 HydrophobicContact CB-CE2 3.36Å
477	L	93.8	Very high	94.6	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-33	178	179.7	65.8	0	0	0	112.6	P473 E475 R520 Y523 S532 W533	P473-L477 PolarHBondContact O-N 3.26Å; E475-L477 PolarHBondContact O-N 3.3Å; L477-R520 HydrophobicContact CD1-CB 4.03Å; L477-R520 HydrophobicContact CD1-CG 3.96Å; L477-R520 HydrophobicContact CG-CG 4.05Å; L477-R520 WeakPolarHBondContact O-CG 3.5Å; L477-Y523 HydrophobicContact CB-CD1 4.15Å; L477-Y523 HydrophobicContact CB-CE1 4.31Å; L477-Y523 HydrophobicContact CD1-CD1 3.61Å; L477-Y523 HydrophobicContact CD1-CE1 4.35Å; L477-Y523 HydrophobicContact CD1-CG 4.25Å; L477-Y523 HydrophobicContact CG-CD1 4.49Å; L477-S532 WeakPolarHBondContact CD2-OG 3.11Å; L477-W533 HydrophobicContact CD2-CB 4.03Å
478	N	95.8	Very high	94.9	Very high	75 Å²	75	61.1 Å²	61.1	40%	0.401	30%	0.304	S	S	.	.	H	α-helix	trans	-105	2.6	-179.4	-61.3	-66.5	0	0	0	113.1	E474 E475 D476 V480 Q516 R520	E474-N478 PolarHBondContact O-ND2 2.87Å; E474-N478 VanDerWaalsContact O-ND2 3.13Å; E475-N478 CarbonylContact O-C 3.41Å; E475-N478 PolarHBondContact O-N 3.38Å; D476-N478 PolarHBondContact O-N 3.43Å; D476-N478 VanDerWaalsContact O-N 3.15Å; N478-V480 PolarHBondContact O-N 3.35Å; N478-Q516 PolarHBondContact O-OE1 2.98Å; N478-R520 PolarHBondContact OD1-NE 3.38Å; N478-R520 VanDerWaalsContact OD1-NE 3.13Å
479	F	97	Very high	95.1	Very high	78 Å²	78	61.6 Å²	61.6	34%	0.342	31%	0.305	S	S	.	.			trans	-78.3	117.2	176.7	-178.9	-98.1	0	0	0	109.7	Y467 P468 L471 E475 D476 T481 T519	Y467-F479 HydrophobicContact CD1-CB 4.21Å; Y467-F479 AromaticContact CD1-CD1 3.85Å; Y467-F479 HydrophobicContact CD1-CD1 3.85Å; Y467-F479 HydrophobicContact CD1-CG 4.39Å; Y467-F479 HydrophobicContact CE1-CB 4.28Å; Y467-F479 HydrophobicContact CE1-CD1 4.11Å; P468-F479 HydrophobicContact CG-CE2 4.3Å; P468-F479 HydrophobicContact CG-CZ 4.11Å; L471-F479 HydrophobicContact CD1-CB 4.16Å; L471-F479 HydrophobicContact CD1-CD2 3.84Å; L471-F479 HydrophobicContact CD1-CE2 4.48Å; L471-F479 HydrophobicContact CD1-CG 4.01Å; E475-F479 PolarHBondContact O-N 2.81Å; D476-F479 PolarHBondContact O-N 2.77Å; D476-F479 VanDerWaalsContact O-N 3.09Å; F479-T481 HydrophobicContact CD1-CG2 3.96Å; F479-T481 HydrophobicContact CE1-CG2 4.14Å; F479-T481 PolarHBondContact O-N 3.08Å; F479-T519 WeakPolarHBondContact O-CB 3.39Å; F479-T519 WeakPolarHBondContact O-CG2 3.49Å; F479-T519 PolarHBondContact O-OG1 2.85Å
480	V	97.4	Very high	95.4	Very high	30 Å²	30	52.2 Å²	52.2	18%	0.182	26%	0.262	C	S	.	.			trans	-83.1	103.9	-178.9	-176.2	0	0	0	0	110	N478 A484 K485 P515 Q516 T519	N478-V480 PolarHBondContact O-N 3.35Å; V480-A484 HydrophobicContact CG1-CB 4.47Å; V480-K485 HydrophobicContact CG1-CD 4.33Å; V480-K485 HydrophobicContact CG1-CG 3.61Å; V480-P515 HydrophobicContact CG1-CB 3.63Å; V480-Q516 HydrophobicContact CG2-CG 4.15Å; V480-T519 HydrophobicContact CG2-CG2 4.15Å
481	T	96.1	Very high	95.7	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.031	22%	0.223	C	C	.	.			trans	-70.6	157.7	173.9	60.5	0	0	0	0	111.6	V465 Y467 F479 T483 A484 K485	V465-T481 HydrophobicContact CG1-CG2 4.49Å; Y467-T481 HydrophobicContact CD1-CG2 4.49Å; Y467-T481 HydrophobicContact CE1-CG2 3.93Å; F479-T481 HydrophobicContact CD1-CG2 3.96Å; F479-T481 HydrophobicContact CE1-CG2 4.14Å; F479-T481 PolarHBondContact O-N 3.08Å; T481-T483 VanDerWaalsContact C-N 3.32Å; T481-T483 PolarHBondContact O-N 2.9Å; T481-A484 WeakPolarHBondContact O-CB 3.44Å; T481-A484 PolarHBondContact O-N 2.99Å; T481-A484 VanDerWaalsContact O-N 3.16Å; T481-A484 VanDerWaalsContact OG1-CB 3.3Å; T481-A484 WeakPolarHBondContact OG1-CB 3.42Å; T481-A484 PolarHBondContact OG1-N 2.89Å; T481-K485 PolarHBondContact O-N 3Å
482	D	95.9	Very high	96	Very high	120 Å²	120	40.1 Å²	40.1	64%	0.642	21%	0.213	S	C	*	.	H	α-helix	trans	-66.2	-36.1	178.7	-69	-28.5	0	0	0	112	A484 K485 A486	D482-A484 VanDerWaalsContact C-N 3.32Å; D482-A484 PolarHBondContact O-N 3.25Å; D482-K485 PolarHBondContact O-N 3.43Å; D482-K485 IonicContact OD1-NZ 3.78Å; D482-K485 PolarHBondContact OD1-NZ 3.35Å; D482-A486 PolarHBondContact O-N 3.07Å
483	T	96.3	Very high	96.2	Very high	20 Å²	20	38 Å²	38	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-40.9	170.9	-55.3	0	0	0	0	111.5	I463 V465 T481 K485 A486 L487	I463-T483 HydrophobicContact CB-CG2 4.47Å; I463-T483 HydrophobicContact CD1-CG2 4.44Å; I463-T483 WeakPolarHBondContact O-CG2 3.03Å; I463-T483 PolarHBondContact O-OG1 3.5Å; V465-T483 HydrophobicContact CG2-CG2 4.16Å; T481-T483 VanDerWaalsContact C-N 3.32Å; T481-T483 PolarHBondContact O-N 2.9Å; T483-K485 VanDerWaalsContact C-N 3.31Å; T483-K485 PolarHBondContact O-N 2.83Å; T483-A486 PolarHBondContact O-N 2.97Å; T483-L487 HydrophobicContact CG2-CD1 4.34Å; T483-L487 HydrophobicContact CG2-CG 4.33Å; T483-L487 WeakPolarHBondContact O-CB 3.37Å; T483-L487 WeakPolarHBondContact O-CG 3.35Å; T483-L487 PolarHBondContact O-N 2.89Å
484	A	97.6	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-37.9	176.4	0	0	0	0	0	112.5	V480 T481 D482 A488 V518 L522	V480-A484 HydrophobicContact CG1-CB 4.47Å; T481-A484 WeakPolarHBondContact O-CB 3.44Å; T481-A484 PolarHBondContact O-N 2.99Å; T481-A484 VanDerWaalsContact O-N 3.16Å; T481-A484 VanDerWaalsContact OG1-CB 3.3Å; T481-A484 WeakPolarHBondContact OG1-CB 3.42Å; T481-A484 PolarHBondContact OG1-N 2.89Å; D482-A484 VanDerWaalsContact C-N 3.32Å; D482-A484 PolarHBondContact O-N 3.25Å; A484-A488 WeakPolarHBondContact O-CB 3.49Å; A484-A488 PolarHBondContact O-N 2.79Å; A484-V518 HydrophobicContact CB-CB 4.37Å; A484-V518 HydrophobicContact CB-CG1 3.99Å; A484-V518 WeakPolarHBondContact O-CG1 3.5Å; A484-L522 HydrophobicContact CB-CD1 3.99Å
485	K	97.6	Very high	96.9	Very high	91 Å²	91	30 Å²	30	40%	0.396	16%	0.156	S	C	.	.	H	α-helix	trans	-64.6	-48.8	174.6	-60.2	170.6	-163.4	154.6	0	111	V480 T481 D482 T483 L487 A488 D489 P515	V480-K485 HydrophobicContact CG1-CD 4.33Å; V480-K485 HydrophobicContact CG1-CG 3.61Å; T481-K485 PolarHBondContact O-N 3Å; D482-K485 PolarHBondContact O-N 3.43Å; D482-K485 IonicContact OD1-NZ 3.78Å; D482-K485 PolarHBondContact OD1-NZ 3.35Å; T483-K485 VanDerWaalsContact C-N 3.31Å; T483-K485 PolarHBondContact O-N 2.83Å; K485-L487 VanDerWaalsContact C-N 3.29Å; K485-L487 PolarHBondContact O-N 3.26Å; K485-A488 WeakPolarHBondContact O-CB 3.35Å; K485-A488 PolarHBondContact O-N 2.93Å; K485-A488 VanDerWaalsContact O-N 3.07Å; K485-D489 PolarHBondContact O-N 3.36Å; K485-P515 HydrophobicContact CG-CB 4.35Å
486	A	97.4	Very high	97.1	Very high	33 Å²	33	26 Å²	26	27%	0.273	14%	0.136	S	C	.	.	H	α-helix	trans	-60.7	-37.5	180	0	0	0	0	0	112.7	R371 D482 T483 V490	R371-A486 PolarHBondContact NH1-O 3.16Å; D482-A486 PolarHBondContact O-N 3.07Å; T483-A486 PolarHBondContact O-N 2.97Å; A486-V490 WeakPolarHBondContact O-CG2 3.3Å; A486-V490 PolarHBondContact O-N 3.28Å
487	L	98.3	Very high	97.3	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-71.8	-37.5	173.8	-70.1	-170.8	0	0	0	112.1	A300 T304 V368 A369 T483 K485 D489 V490 A491 V518 L522	A300-L487 HydrophobicContact CB-CD1 4.09Å; A300-L487 HydrophobicContact CB-CD2 4.37Å; T304-L487 HydrophobicContact CG2-CB 3.58Å; T304-L487 HydrophobicContact CG2-CD1 4.28Å; T304-L487 HydrophobicContact CG2-CD2 3.63Å; T304-L487 HydrophobicContact CG2-CG 4Å; T304-L487 WeakPolarHBondContact CG2-O 3.1Å; V368-L487 HydrophobicContact CG2-CD2 4.17Å; A369-L487 HydrophobicContact CB-CD2 4.44Å; T483-L487 HydrophobicContact CG2-CD1 4.34Å; T483-L487 HydrophobicContact CG2-CG 4.33Å; T483-L487 WeakPolarHBondContact O-CB 3.37Å; T483-L487 WeakPolarHBondContact O-CG 3.35Å; T483-L487 PolarHBondContact O-N 2.89Å; K485-L487 VanDerWaalsContact C-N 3.29Å; K485-L487 PolarHBondContact O-N 3.26Å; L487-D489 VanDerWaalsContact C-N 3.27Å; L487-D489 PolarHBondContact O-N 3.07Å; L487-V490 PolarHBondContact O-N 2.63Å; L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 3.37Å; L487-V518 HydrophobicContact CB-CG1 3.93Å; L487-L522 HydrophobicContact CD1-CD1 4.1Å; L487-L522 HydrophobicContact CD1-CD2 4.11Å
488	A	98.4	Very high	97.5	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-35.7	174.2	0	0	0	0	0	112.3	A484 K485 A491 T492 P515 V518	A484-A488 WeakPolarHBondContact O-CB 3.49Å; A484-A488 PolarHBondContact O-N 2.79Å; K485-A488 WeakPolarHBondContact O-CB 3.35Å; K485-A488 PolarHBondContact O-N 2.93Å; K485-A488 VanDerWaalsContact O-N 3.07Å; A488-A491 PolarHBondContact O-N 3.38Å; A488-T492 WeakPolarHBondContact O-CB 3.41Å; A488-T492 PolarHBondContact O-N 2.86Å; A488-T492 PolarHBondContact O-OG1 3.08Å; A488-P515 HydrophobicContact CB-CB 4.16Å; A488-P515 HydrophobicContact CB-CG 3.83Å; A488-V518 HydrophobicContact CB-CG2 3.89Å
489	D	98	Very high	97.5	Very high	40 Å²	40	21.1 Å²	21.1	21%	0.214	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-44.2	174.7	-64.4	-37.8	0	0	0	111.4	V408 A410 V411 K485 L487 T492 V493	V408-D489 HydrophobicContact CG1-CB 4Å; A410-D489 HydrophobicContact CB-CB 4.14Å; A410-D489 WeakPolarHBondContact CB-OD2 3.44Å; V411-D489 HydrophobicContact CG2-CB 3.76Å; K485-D489 PolarHBondContact O-N 3.36Å; L487-D489 VanDerWaalsContact C-N 3.27Å; L487-D489 PolarHBondContact O-N 3.07Å; D489-T492 WeakPolarHBondContact O-CB 3.33Å; D489-T492 PolarHBondContact O-N 2.87Å; D489-V493 WeakPolarHBondContact O-CG2 3.39Å; D489-V493 PolarHBondContact O-N 3.3Å
490	V	98.3	Very high	97.5	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-44.3	174.7	175.7	0	0	0	0	111.1	T304 L365 L376 V411 A486 L487 T492 V493 L494	T304-V490 HydrophobicContact CG2-CB 4.46Å; L365-V490 HydrophobicContact CD2-CG1 4.35Å; L376-V490 HydrophobicContact CD2-CG1 4Å; L376-V490 HydrophobicContact CD2-CG2 4.5Å; V411-V490 HydrophobicContact CG2-CG2 4.19Å; A486-V490 WeakPolarHBondContact O-CG2 3.3Å; A486-V490 PolarHBondContact O-N 3.28Å; L487-V490 PolarHBondContact O-N 2.63Å; V490-T492 VanDerWaalsContact C-N 3.25Å; V490-T492 PolarHBondContact O-N 3.29Å; V490-V493 PolarHBondContact O-N 2.9Å; V490-L494 PolarHBondContact O-N 3.14Å
491	A	98.4	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-34.9	176.2	0	0	0	0	0	112.2	T304 A307 A308 L487 A488 G495 A513	T304-A491 VanDerWaalsContact O-CB 3.27Å; T304-A491 WeakPolarHBondContact O-CB 3.16Å; A307-A491 HydrophobicContact CB-CB 3.75Å; A308-A491 HydrophobicContact CB-CB 4.36Å; A308-A491 WeakPolarHBondContact CB-O 3.23Å; L487-A491 WeakPolarHBondContact O-CB 3.38Å; L487-A491 PolarHBondContact O-N 3.37Å; A488-A491 PolarHBondContact O-N 3.38Å; A491-G495 PolarHBondContact O-N 3Å; A491-A513 HydrophobicContact CB-CB 3.72Å
492	T	98.3	Very high	97.5	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-65.8	-47.2	174.3	-63.1	0	0	0	0	111.2	V408 A488 D489 V490 L494 G495 R496 Q512 A513	V408-T492 HydrophobicContact CG2-CG2 3.87Å; A488-T492 WeakPolarHBondContact O-CB 3.41Å; A488-T492 PolarHBondContact O-N 2.86Å; A488-T492 PolarHBondContact O-OG1 3.08Å; D489-T492 WeakPolarHBondContact O-CB 3.33Å; D489-T492 PolarHBondContact O-N 2.87Å; V490-T492 VanDerWaalsContact C-N 3.25Å; V490-T492 PolarHBondContact O-N 3.29Å; T492-L494 VanDerWaalsContact C-N 3.31Å; T492-L494 PolarHBondContact O-N 3.46Å; T492-G495 PolarHBondContact O-N 3.31Å; T492-R496 WeakPolarHBondContact O-CB 3.48Å; T492-R496 WeakPolarHBondContact O-CG 3.2Å; T492-R496 PolarHBondContact O-N 2.75Å; T492-Q512 HydrophobicContact CG2-CB 4.24Å; T492-Q512 HydrophobicContact CG2-CG 3.98Å; T492-A513 PolarHBondContact OG1-N 3.29Å
493	V	97.9	Very high	97.4	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-43.9	175.9	173.6	0	0	0	0	111.2	S404 V408 V411 L413 D489 V490 R496 A497	S404-V493 PolarHBondContact OG-O 3.23Å; V408-V493 HydrophobicContact CB-CG2 4.01Å; V408-V493 HydrophobicContact CG1-CG2 4.45Å; V408-V493 HydrophobicContact CG2-CG2 4.15Å; V411-V493 HydrophobicContact CB-CG2 3.92Å; V411-V493 HydrophobicContact CG1-CG2 4.18Å; V411-V493 HydrophobicContact CG2-CG2 3.96Å; L413-V493 HydrophobicContact CD1-CG1 4.02Å; D489-V493 WeakPolarHBondContact O-CG2 3.39Å; D489-V493 PolarHBondContact O-N 3.3Å; V490-V493 PolarHBondContact O-N 2.9Å; V493-R496 PolarHBondContact O-N 3.18Å; V493-A497 WeakPolarHBondContact O-CB 3.33Å; V493-A497 PolarHBondContact O-N 3.11Å
494	L	98.3	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-48.3	175.7	-178.7	64.7	0	0	0	111.7	A308 V363 L365 L441 V490 T492 R496 A497 L498	A308-L494 HydrophobicContact CB-CB 4.09Å; A308-L494 HydrophobicContact CB-CD2 3.63Å; A308-L494 HydrophobicContact CB-CG 3.95Å; V363-L494 HydrophobicContact CB-CD1 4.47Å; V363-L494 HydrophobicContact CG1-CD1 3.64Å; L365-L494 HydrophobicContact CD1-CD1 3.84Å; L365-L494 HydrophobicContact CD1-CD2 3.39Å; L365-L494 HydrophobicContact CD1-CG 4.22Å; L365-L494 HydrophobicContact CD2-CD2 3.9Å; L365-L494 HydrophobicContact CG-CD2 4.3Å; L441-L494 HydrophobicContact CD1-CD1 4.23Å; V490-L494 PolarHBondContact O-N 3.14Å; T492-L494 VanDerWaalsContact C-N 3.31Å; T492-L494 PolarHBondContact O-N 3.46Å; L494-R496 VanDerWaalsContact C-N 3.33Å; L494-R496 PolarHBondContact O-N 3.32Å; L494-A497 PolarHBondContact O-N 3.39Å; L494-L498 HydrophobicContact CD1-CD1 4.19Å; L494-L498 HydrophobicContact CD1-CG 4.2Å; L494-L498 HydrophobicContact CG-CD1 3.97Å; L494-L498 HydrophobicContact CG-CG 4.37Å; L494-L498 WeakPolarHBondContact O-CB 3.21Å; L494-L498 VanDerWaalsContact O-CG 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 2.9Å
495	G	97.5	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.9	-43.9	179.1	0	0	0	0	0	112.3	A491 T492 L498 Y499	A491-G495 PolarHBondContact O-N 3Å; T492-G495 PolarHBondContact O-N 3.31Å; G495-L498 PolarHBondContact O-N 2.84Å; G495-Y499 WeakPolarHBondContact O-CB 2.85Å; G495-Y499 PolarHBondContact O-N 2.98Å
496	R	97.2	Very high	96.2	Very high	22 Å²	22	19.2 Å²	19.2	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-43.4	175.3	-70.1	179.7	178.3	-173.1	-3.4	112.2	T492 V493 L494 L498 Y499 E500 S508 V511	T492-R496 WeakPolarHBondContact O-CB 3.48Å; T492-R496 WeakPolarHBondContact O-CG 3.2Å; T492-R496 PolarHBondContact O-N 2.75Å; V493-R496 PolarHBondContact O-N 3.18Å; L494-R496 VanDerWaalsContact C-N 3.33Å; L494-R496 PolarHBondContact O-N 3.32Å; R496-L498 PolarHBondContact O-N 3Å; R496-Y499 WeakPolarHBondContact O-CB 2.98Å; R496-Y499 PolarHBondContact O-N 2.91Å; R496-E500 PolarHBondContact O-N 3.39Å; R496-S508 WeakPolarHBondContact CG-O 3.18Å; R496-S508 PolarHBondContact NE-O 3.3Å; R496-V511 HydrophobicContact CG-CB 4.32Å; R496-V511 PolarHBondContact NE-O 2.84Å
497	A	97.3	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-47.2	176.1	0	0	0	0	0	111.3	L401 S404 V493 L494 Y499 E500 L501	L401-A497 HydrophobicContact CD2-CB 3.53Å; L401-A497 HydrophobicContact CG-CB 4.4Å; S404-A497 WeakPolarHBondContact OG-CB 3.23Å; V493-A497 WeakPolarHBondContact O-CB 3.33Å; V493-A497 PolarHBondContact O-N 3.11Å; L494-A497 PolarHBondContact O-N 3.39Å; A497-Y499 VanDerWaalsContact C-N 3.3Å; A497-Y499 PolarHBondContact O-N 2Å; A497-E500 PolarHBondContact O-N 3.38Å; A497-L501 WeakPolarHBondContact O-CB 2.96Å; A497-L501 WeakPolarHBondContact O-CG 3.16Å; A497-L501 PolarHBondContact O-N 2.72Å
498	L	97.9	Very high	95.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-36.1	178.4	-67.2	174.1	0	0	0	112.2	V276 A278 L312 V325 F327 L494 G495 R496 A502	V276-L498 HydrophobicContact CG1-CD2 3.73Å; A278-L498 HydrophobicContact CB-CD1 3.82Å; A278-L498 HydrophobicContact CB-CD2 4.09Å; L312-L498 HydrophobicContact CD2-CB 3.97Å; V325-L498 HydrophobicContact CG1-CB 4.43Å; V325-L498 HydrophobicContact CG1-CD1 4.24Å; V325-L498 HydrophobicContact CG1-CD2 4.24Å; F327-L498 HydrophobicContact CE1-CD1 3.55Å; F327-L498 HydrophobicContact CZ-CD1 3.94Å; L494-L498 HydrophobicContact CD1-CD1 4.19Å; L494-L498 HydrophobicContact CD1-CG 4.2Å; L494-L498 HydrophobicContact CG-CD1 3.97Å; L494-L498 HydrophobicContact CG-CG 4.37Å; L494-L498 WeakPolarHBondContact O-CB 3.21Å; L494-L498 VanDerWaalsContact O-CG 3.27Å; L494-L498 WeakPolarHBondContact O-CG 3.39Å; L494-L498 PolarHBondContact O-N 2.9Å; G495-L498 PolarHBondContact O-N 2.84Å; R496-L498 PolarHBondContact O-N 3Å; L498-A502 WeakPolarHBondContact O-CB 3.49Å; L498-A502 PolarHBondContact O-N 3.14Å
499	Y	97.4	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-46.2	173.9	-179.9	-105.2	0	0	0	112.1	L312 A315 D317 L321 G495 R496 A497 A502 G503 G504 N506 F507 V511	L312-Y499 HydrophobicContact CD1-CD2 4.01Å; L312-Y499 HydrophobicContact CD1-CG 4.31Å; A315-Y499 HydrophobicContact CB-CD2 4.39Å; A315-Y499 HydrophobicContact CB-CE2 4.27Å; D317-Y499 VanDerWaalsContact CG-OH 3.23Å; D317-Y499 VanDerWaalsContact OD1-CE2 3.25Å; D317-Y499 WeakPolarHBondContact OD1-CE2 3.49Å; D317-Y499 PolarHBondContact OD1-OH 3.35Å; D317-Y499 VanDerWaalsContact OD1-OH 3.14Å; D317-Y499 PolarHBondContact OD2-OH 2.74Å; L321-Y499 HydrophobicContact CD2-CD2 4.4Å; L321-Y499 HydrophobicContact CD2-CE2 4.01Å; G495-Y499 WeakPolarHBondContact O-CB 2.85Å; G495-Y499 PolarHBondContact O-N 2.98Å; R496-Y499 WeakPolarHBondContact O-CB 2.98Å; R496-Y499 PolarHBondContact O-N 2.91Å; A497-Y499 VanDerWaalsContact C-N 3.3Å; A497-Y499 PolarHBondContact O-N 2Å; Y499-A502 WeakPolarHBondContact O-CB 3.42Å; Y499-A502 PolarHBondContact O-N 2.73Å; Y499-G503 PolarHBondContact O-N 3.11Å; Y499-G504 WeakPolarHBondContact CE1-O 3.3Å; Y499-G504 PolarHBondContact O-N 2.66Å; Y499-N506 PolarHBondContact OH-N 2.91Å; Y499-F507 PolarHBondContact OH-N 2.97Å; Y499-F507 VanDerWaalsContact OH-N 3.13Å; Y499-V511 HydrophobicContact CD2-CG2 4.48Å; Y499-V511 HydrophobicContact CG-CG2 4.37Å
500	E	96.3	Very high	94.5	Very high	33 Å²	33	30.2 Å²	30.2	15%	0.154	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-43	177.4	-69.9	-168.4	-148.9	0	0	112.2	T400 K403 R496 A497 A502 G503 G504	T400-E500 HydrophobicContact CG2-CB 3.58Å; K403-E500 WeakPolarHBondContact CD-OE2 3.44Å; K403-E500 WeakPolarHBondContact CE-OE2 3.49Å; K403-E500 IonicContact NZ-OE1 3.24Å; K403-E500 IonicContact NZ-OE2 3.88Å; K403-E500 PolarHBondContact NZ-OE2 3.03Å; R496-E500 PolarHBondContact O-N 3.39Å; A497-E500 PolarHBondContact O-N 3.38Å; E500-A502 VanDerWaalsContact C-N 3.27Å; E500-A502 PolarHBondContact O-N 3.2Å; E500-G503 WeakPolarHBondContact O-CA 3.4Å; E500-G503 PolarHBondContact O-N 2.82Å; E500-G504 WeakPolarHBondContact CA-O 3.32Å
501	L	96.4	Very high	94.3	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.068	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-33.1	174.8	-67.6	169.9	0	0	0	112.1	V276 V363 L397 T400 A497 G503	V276-L501 HydrophobicContact CG1-CB 4.18Å; V276-L501 HydrophobicContact CG1-CD1 4.09Å; V276-L501 HydrophobicContact CG2-CB 3.91Å; V363-L501 HydrophobicContact CG2-CD1 4.13Å; L397-L501 HydrophobicContact CD1-CD1 3.43Å; L397-L501 VanDerWaalsContact CD1-CD1 3.43Å; L397-L501 HydrophobicContact CD1-CD2 3.55Å; L397-L501 HydrophobicContact CD1-CG 4.1Å; T400-L501 HydrophobicContact CG2-CD2 3.98Å; T400-L501 HydrophobicContact CG2-CG 4.05Å; A497-L501 WeakPolarHBondContact O-CB 2.96Å; A497-L501 WeakPolarHBondContact O-CG 3.16Å; A497-L501 PolarHBondContact O-N 2.72Å; L501-G503 PolarHBondContact O-N 3.17Å
502	A	96.3	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.9	172	0	0	0	0	0	112.7	L321 P322 R323 V325 L498 Y499 E500	L321-A502 HydrophobicContact CB-CB 4.44Å; L321-A502 HydrophobicContact CD1-CB 3.88Å; L321-A502 HydrophobicContact CD2-CB 4.49Å; P322-A502 WeakPolarHBondContact CD-O 3.33Å; P322-A502 VanDerWaalsContact CG-O 3.22Å; P322-A502 WeakPolarHBondContact CG-O 3.19Å; R323-A502 PolarHBondContact N-O 3.08Å; R323-A502 VanDerWaalsContact N-O 3.07Å; V325-A502 HydrophobicContact CG2-CB 3.85Å; L498-A502 WeakPolarHBondContact O-CB 3.49Å; L498-A502 PolarHBondContact O-N 3.14Å; Y499-A502 WeakPolarHBondContact O-CB 3.42Å; Y499-A502 PolarHBondContact O-N 2.73Å; E500-A502 VanDerWaalsContact C-N 3.27Å; E500-A502 PolarHBondContact O-N 3.2Å
503	G	94.4	Very high	94.1	Very high	26 Å²	26	35.8 Å²	35.8	27%	0.268	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	12.6	-179.8	0	0	0	0	0	114.5	Y499 E500 L501	Y499-G503 PolarHBondContact O-N 3.11Å; E500-G503 WeakPolarHBondContact O-CA 3.4Å; E500-G503 PolarHBondContact O-N 2.82Å; L501-G503 PolarHBondContact O-N 3.17Å
504	G	92.1	Very high	94	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	21%	0.214	C	C	.	.			trans	-81.4	137.2	174.1	0	0	0	0	0	111.3	Y499 E500	Y499-G504 WeakPolarHBondContact CE1-O 3.3Å; Y499-G504 PolarHBondContact O-N 2.66Å; E500-G504 WeakPolarHBondContact CA-O 3.32Å
505	T	87.6	Confident	94	Very high	103 Å²	103	40.7 Å²	40.7	63%	0.632	23%	0.226	S	C	*	.			trans	-130.4	-13	-178.9	57.7	0	0	0	0	114.3
506	N	86.4	Confident	94	Very high	125 Å²	125	43.6 Å²	43.6	67%	0.668	24%	0.239	S	C	*	.	S	Bend	trans	-95.7	-28.8	-166.2	-69.7	-13.6	0	0	0	113.5	Y499	Y499-N506 PolarHBondContact OH-N 2.91Å
507	F	89.6	Confident	94	Very high	80 Å²	80	42.8 Å²	42.8	35%	0.351	24%	0.237	S	C	.	.			trans	-120.4	23.9	-170.5	-61.8	-76.4	0	0	0	113.4	P316 D317 Y499 D509 T510	P316-F507 HydrophobicContact CG-CB 4.25Å; P316-F507 HydrophobicContact CG-CD1 3.63Å; P316-F507 HydrophobicContact CG-CD2 3.7Å; P316-F507 HydrophobicContact CG-CE1 3.77Å; P316-F507 HydrophobicContact CG-CE2 3.83Å; P316-F507 HydrophobicContact CG-CG 3.58Å; P316-F507 HydrophobicContact CG-CZ 3.87Å; D317-F507 HydrophobicContact CB-CD2 4.04Å; D317-F507 HydrophobicContact CB-CE2 4.07Å; D317-F507 VanDerWaalsContact CG-CD2 3.49Å; D317-F507 WeakPolarHBondContact OD1-CD2 3.39Å; Y499-F507 PolarHBondContact OH-N 2.97Å; Y499-F507 VanDerWaalsContact OH-N 3.13Å; F507-D509 PolarHBondContact O-N 2.69Å; F507-T510 HydrophobicContact CB-CG2 4.34Å; F507-T510 WeakPolarHBondContact CB-OG1 3.1Å; F507-T510 HydrophobicContact CD1-CG2 4.23Å; F507-T510 PolarHBondContact O-N 3.32Å; F507-T510 PolarHBondContact O-OG1 3.46Å
508	S	86.4	Confident	94.1	Very high	27 Å²	27	42.8 Å²	42.8	19%	0.189	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-53.1	-38.9	-179.1	53.9	0	0	0	0	112.9	R496 T510 V511	R496-S508 WeakPolarHBondContact CG-O 3.18Å; R496-S508 PolarHBondContact NE-O 3.3Å; S508-T510 VanDerWaalsContact C-N 3.31Å; S508-T510 PolarHBondContact O-N 3.4Å; S508-V511 PolarHBondContact O-N 3.15Å
509	D	88.3	Confident	94.1	Very high	121 Å²	121	42.8 Å²	42.8	65%	0.647	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-72.6	-24	-178.3	-63.8	-32	0	0	0	113.4	F507 V511	F507-D509 PolarHBondContact O-N 2.69Å; D509-V511 VanDerWaalsContact C-N 3.31Å
510	T	91.1	Very high	94.1	Very high	79 Å²	79	45.9 Å²	45.9	49%	0.485	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-77.1	-20.4	179.3	70.3	0	0	0	0	112.9	F507 S508 Q512	F507-T510 HydrophobicContact CB-CG2 4.34Å; F507-T510 WeakPolarHBondContact CB-OG1 3.1Å; F507-T510 HydrophobicContact CD1-CG2 4.23Å; F507-T510 PolarHBondContact O-N 3.32Å; F507-T510 PolarHBondContact O-OG1 3.46Å; S508-T510 VanDerWaalsContact C-N 3.31Å; S508-T510 PolarHBondContact O-N 3.4Å; T510-Q512 PolarHBondContact O-N 3.14Å; T510-Q512 VanDerWaalsContact O-N 3.16Å
511	V	94.1	Very high	94.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.241	C	C	.	.			trans	-81.6	95.7	177.7	-177.8	0	0	0	0	108.2	A311 A315 R496 Y499 S508 D509	A311-V511 HydrophobicContact CB-CG1 3.98Å; A315-V511 HydrophobicContact CB-CG2 3.94Å; R496-V511 HydrophobicContact CG-CB 4.32Å; R496-V511 PolarHBondContact NE-O 2.84Å; Y499-V511 HydrophobicContact CD2-CG2 4.48Å; Y499-V511 HydrophobicContact CG-CG2 4.37Å; S508-V511 PolarHBondContact O-N 3.15Å; D509-V511 VanDerWaalsContact C-N 3.31Å
512	Q	96.1	Very high	94.3	Very high	116 Å²	116	43.7 Å²	43.7	54%	0.542	24%	0.238	S	C	.	.			trans	-138	133.6	175.8	-173	174.5	8	0	0	110.6	T492 T510	T492-Q512 HydrophobicContact CG2-CB 4.24Å; T492-Q512 HydrophobicContact CG2-CG 3.98Å; T510-Q512 PolarHBondContact O-N 3.14Å; T510-Q512 VanDerWaalsContact O-N 3.16Å
513	A	97.1	Very high	94.4	Very high	3 Å²	3	44 Å²	44	3%	0.025	24%	0.239	C	C	.	.			trans	-79.8	136.4	176.3	0	0	0	0	0	110.5	A307 A311 A491 T492 P515	A307-A513 HydrophobicContact CB-CB 4.13Å; A311-A513 HydrophobicContact CB-CB 4.2Å; A491-A513 HydrophobicContact CB-CB 3.72Å; T492-A513 PolarHBondContact OG1-N 3.29Å; A513-P515 WeakPolarHBondContact O-CD 3.24Å
514	D	97	Very high	94.5	Very high	65 Å²	65	42.8 Å²	42.8	35%	0.348	23%	0.226	S	C	.	.			trans	-84.3	121.6	179.2	-176.9	-1.5	0	0	0	110.4	Q516 T517 V518	D514-Q516 PolarHBondContact O-N 3.11Å; D514-Q516 VanDerWaalsContact O-N 3.1Å; D514-Q516 WeakPolarHBondContact OD1-CB 3.43Å; D514-Q516 WeakPolarHBondContact OD1-CG 3.09Å; D514-Q516 PolarHBondContact OD1-N 2.9Å; D514-T517 PolarHBondContact O-N 3.4Å; D514-V518 PolarHBondContact O-N 2.81Å
515	P	97.9	Very high	94.8	Very high	39 Å²	39	42.6 Å²	42.6	25%	0.253	23%	0.225	S	C	.	.	H	α-helix	trans	-55.4	-25.7	174.2	-24.6	33.8	0	0	0	114.1	V480 K485 A488 A513 V518 T519	V480-P515 HydrophobicContact CG1-CB 3.63Å; K485-P515 HydrophobicContact CG-CB 4.35Å; A488-P515 HydrophobicContact CB-CB 4.16Å; A488-P515 HydrophobicContact CB-CG 3.83Å; A513-P515 WeakPolarHBondContact O-CD 3.24Å; P515-V518 PolarHBondContact O-N 2.8Å; P515-T519 PolarHBondContact O-N 3.47Å
516	Q	97.4	Very high	95.3	Very high	61 Å²	61	38.3 Å²	38.3	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-65.4	-40.4	175.3	-67.9	-70.4	-14.9	0	0	112.3	N478 V480 D514 T519 R520	N478-Q516 PolarHBondContact O-OE1 2.98Å; V480-Q516 HydrophobicContact CG2-CG 4.15Å; D514-Q516 PolarHBondContact O-N 3.11Å; D514-Q516 VanDerWaalsContact O-N 3.1Å; D514-Q516 WeakPolarHBondContact OD1-CB 3.43Å; D514-Q516 WeakPolarHBondContact OD1-CG 3.09Å; D514-Q516 PolarHBondContact OD1-N 2.9Å; Q516-T519 WeakPolarHBondContact O-CG2 3.19Å; Q516-R520 VanDerWaalsContact O-CG 3.31Å; Q516-R520 WeakPolarHBondContact O-CG 3.31Å; Q516-R520 PolarHBondContact O-N 3.44Å
517	T	97.7	Very high	95.8	Very high	4 Å²	4	35 Å²	35	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-67.6	-43	175.4	-61.1	0	0	0	0	110.6	E310 D514 T519 R520 L521 L574	E310-T517 PolarHBondContact OE1-OG1 2.72Å; E310-T517 WeakPolarHBondContact OE2-CB 3.47Å; E310-T517 WeakPolarHBondContact OE2-CG2 3.4Å; E310-T517 PolarHBondContact OE2-OG1 2.93Å; D514-T517 PolarHBondContact O-N 3.4Å; T517-T519 VanDerWaalsContact C-N 3.35Å; T517-T519 PolarHBondContact O-N 3.13Å; T517-R520 PolarHBondContact O-N 3Å; T517-L521 HydrophobicContact CG2-CD1 3.87Å; T517-L521 HydrophobicContact CG2-CG 4.34Å; T517-L521 WeakPolarHBondContact O-CG 3.46Å; T517-L521 PolarHBondContact O-N 2.74Å; T517-L574 HydrophobicContact CG2-CD2 3.52Å
518	V	98.4	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-46	179.4	179.4	0	0	0	0	110.9	V303 A307 A484 L487 A488 D514 P515 R520 L521 L522	V303-V518 HydrophobicContact CG1-CG1 4.01Å; A307-V518 HydrophobicContact CB-CG2 3.6Å; A484-V518 HydrophobicContact CB-CB 4.37Å; A484-V518 HydrophobicContact CB-CG1 3.99Å; A484-V518 WeakPolarHBondContact O-CG1 3.5Å; L487-V518 HydrophobicContact CB-CG1 3.93Å; A488-V518 HydrophobicContact CB-CG2 3.89Å; D514-V518 PolarHBondContact O-N 2.81Å; P515-V518 PolarHBondContact O-N 2.8Å; V518-R520 PolarHBondContact O-N 3.44Å; V518-L521 PolarHBondContact O-N 3.25Å; V518-L522 HydrophobicContact CG1-CD1 4.09Å; V518-L522 HydrophobicContact CG1-CG 4.36Å; V518-L522 WeakPolarHBondContact O-CG 3.44Å; V518-L522 PolarHBondContact O-N 3.3Å
519	T	98.1	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.7	-37.8	-179.8	-153.2	0	0	0	0	112.3	F479 V480 P515 Q516 T517 L521 L522 Y523	F479-T519 WeakPolarHBondContact O-CB 3.39Å; F479-T519 WeakPolarHBondContact O-CG2 3.49Å; F479-T519 PolarHBondContact O-OG1 2.85Å; V480-T519 HydrophobicContact CG2-CG2 4.15Å; P515-T519 PolarHBondContact O-N 3.47Å; Q516-T519 WeakPolarHBondContact O-CG2 3.19Å; T517-T519 VanDerWaalsContact C-N 3.35Å; T517-T519 PolarHBondContact O-N 3.13Å; T519-L521 PolarHBondContact O-N 3.33Å; T519-L522 PolarHBondContact O-N 3.32Å; T519-Y523 VanDerWaalsContact O-CB 3.32Å; T519-Y523 WeakPolarHBondContact O-CB 3.13Å; T519-Y523 PolarHBondContact O-N 3.43Å
520	R	98	Very high	97	Very high	65 Å²	65	29 Å²	29	25%	0.245	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-42.4	174.9	-73.3	-176	-152.3	124.1	7.5	112.4	L477 N478 Q516 T517 V518 G524 W533	L477-R520 HydrophobicContact CD1-CB 4.03Å; L477-R520 HydrophobicContact CD1-CG 3.96Å; L477-R520 HydrophobicContact CG-CG 4.05Å; L477-R520 WeakPolarHBondContact O-CG 3.5Å; N478-R520 PolarHBondContact OD1-NE 3.38Å; N478-R520 VanDerWaalsContact OD1-NE 3.13Å; Q516-R520 VanDerWaalsContact O-CG 3.31Å; Q516-R520 WeakPolarHBondContact O-CG 3.31Å; Q516-R520 PolarHBondContact O-N 3.44Å; T517-R520 PolarHBondContact O-N 3Å; V518-R520 PolarHBondContact O-N 3.44Å; R520-G524 PolarHBondContact O-N 2.76Å; R520-W533 HydrophobicContact CB-CD2 4.43Å; R520-W533 HydrophobicContact CB-CE3 3.88Å; R520-W533 HydrophobicContact CB-CZ3 3.99Å
521	L	98.3	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.7	-52.5	175.1	-73	166.3	0	0	0	110.4	V303 L306 T517 V518 T519 Y523 G524 F525 W533 F534 A570 L574	V303-L521 HydrophobicContact CG1-CB 3.83Å; V303-L521 HydrophobicContact CG1-CD1 4.12Å; V303-L521 HydrophobicContact CG2-CB 4.1Å; L306-L521 HydrophobicContact CB-CD1 4.05Å; L306-L521 HydrophobicContact CD1-CD1 4.4Å; L306-L521 HydrophobicContact CD1-CD2 4.11Å; T517-L521 HydrophobicContact CG2-CD1 3.87Å; T517-L521 HydrophobicContact CG2-CG 4.34Å; T517-L521 WeakPolarHBondContact O-CG 3.46Å; T517-L521 PolarHBondContact O-N 2.74Å; V518-L521 PolarHBondContact O-N 3.25Å; T519-L521 PolarHBondContact O-N 3.33Å; L521-Y523 PolarHBondContact O-N 2.87Å; L521-G524 PolarHBondContact O-N 3.4Å; L521-F525 HydrophobicContact CB-CD2 4.45Å; L521-F525 HydrophobicContact CB-CE2 4.42Å; L521-F525 HydrophobicContact CD2-CE2 3.91Å; L521-F525 WeakPolarHBondContact O-CD2 3.12Å; L521-F525 PolarHBondContact O-N 3.24Å; L521-W533 HydrophobicContact CD2-CH2 3.57Å; L521-W533 HydrophobicContact CD2-CZ3 3.63Å; L521-W533 HydrophobicContact CG-CH2 3.84Å; L521-W533 HydrophobicContact CG-CZ3 3.89Å; L521-F534 HydrophobicContact CD2-CE1 4.49Å; L521-A570 HydrophobicContact CD2-CB 4.11Å; L521-L574 HydrophobicContact CD1-CD1 4.21Å
522	L	98.1	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-47.1	179.4	-73.7	176.5	0	0	0	112.2	V299 V303 I463 V465 A484 L487 V518 T519 G524 F525 L526	V299-L522 HydrophobicContact CG1-CD2 4.31Å; V303-L522 HydrophobicContact CB-CD2 4.4Å; V303-L522 HydrophobicContact CG1-CD2 4.19Å; V303-L522 HydrophobicContact CG1-CG 4.2Å; V303-L522 HydrophobicContact CG2-CD2 4.3Å; I463-L522 HydrophobicContact CD1-CD2 4.44Å; V465-L522 HydrophobicContact CG2-CD1 4.31Å; A484-L522 HydrophobicContact CB-CD1 3.99Å; L487-L522 HydrophobicContact CD1-CD1 4.1Å; L487-L522 HydrophobicContact CD1-CD2 4.11Å; V518-L522 HydrophobicContact CG1-CD1 4.09Å; V518-L522 HydrophobicContact CG1-CG 4.36Å; V518-L522 WeakPolarHBondContact O-CG 3.44Å; V518-L522 PolarHBondContact O-N 3.3Å; T519-L522 PolarHBondContact O-N 3.32Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.8Å; L522-F525 PolarHBondContact O-N 2.9Å; L522-L526 HydrophobicContact CD2-CD1 3.98Å; L522-L526 VanDerWaalsContact O-CB 3.28Å; L522-L526 WeakPolarHBondContact O-CB 2.94Å; L522-L526 PolarHBondContact O-N 2.92Å
523	Y	98	Very high	97.1	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.027	12%	0.124	C	C	.	.	H	α-helix	trans	-57.7	-46.6	177	-179.5	-94.2	0	0	0	111.4	Y467 P473 D476 L477 T519 L521 F525 I527 K528 N531	Y467-Y523 HydrophobicContact CE1-CD2 4.11Å; Y467-Y523 HydrophobicContact CE2-CD2 4.01Å; Y467-Y523 AromaticContact CZ-CD2 3.68Å; P473-Y523 PolarHBondContact O-OH 2.98Å; D476-Y523 HydrophobicContact CB-CD2 3.92Å; D476-Y523 HydrophobicContact CB-CE2 3.36Å; L477-Y523 HydrophobicContact CB-CD1 4.15Å; L477-Y523 HydrophobicContact CB-CE1 4.31Å; L477-Y523 HydrophobicContact CD1-CD1 3.61Å; L477-Y523 HydrophobicContact CD1-CE1 4.35Å; L477-Y523 HydrophobicContact CD1-CG 4.25Å; L477-Y523 HydrophobicContact CG-CD1 4.49Å; T519-Y523 VanDerWaalsContact O-CB 3.32Å; T519-Y523 WeakPolarHBondContact O-CB 3.13Å; T519-Y523 PolarHBondContact O-N 3.43Å; L521-Y523 PolarHBondContact O-N 2.87Å; Y523-F525 PolarHBondContact O-N 3.21Å; Y523-I527 HydrophobicContact CD2-CB 3.87Å; Y523-I527 HydrophobicContact CD2-CG1 3.97Å; Y523-I527 HydrophobicContact CD2-CG2 4.13Å; Y523-I527 HydrophobicContact CE2-CB 3.92Å; Y523-I527 HydrophobicContact CE2-CG1 4.36Å; Y523-I527 HydrophobicContact CE2-CG2 3.67Å; Y523-I527 HydrophobicContact CG-CB 4.41Å; Y523-I527 WeakPolarHBondContact O-CA 3.39Å; Y523-I527 WeakPolarHBondContact O-CB 3.34Å; Y523-I527 PolarHBondContact O-N 3.12Å; Y523-K528 HydrophobicContact CE1-CB 4.03Å; Y523-K528 PolarHBondContact O-N 2.82Å; Y523-N531 HydrophobicContact CE1-CB 4.21Å
524	G	97.6	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.3	-40	-179.7	0	0	0	0	0	113.8	R520 L521 L522 K528 A529 N531 F534	R520-G524 PolarHBondContact O-N 2.76Å; L521-G524 PolarHBondContact O-N 3.4Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.8Å; G524-K528 CarbonylContact O-C 3.57Å; G524-A529 WeakPolarHBondContact O-CA 3.08Å; G524-A529 PolarHBondContact O-N 3.15Å; G524-N531 WeakPolarHBondContact CA-ND2 3.4Å; G524-F534 WeakPolarHBondContact O-CE2 3.29Å
525	F	98.1	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-80.3	-38.9	-179.8	-71.7	-67.7	0	0	0	113	V299 F302 V303 L521 L522 Y523 F534 L551 H553 V566 V567	V299-F525 HydrophobicContact CG1-CB 3.72Å; V299-F525 HydrophobicContact CG1-CD2 4.5Å; V299-F525 HydrophobicContact CG1-CG 4.29Å; F302-F525 HydrophobicContact CE2-CD1 4.21Å; F302-F525 AromaticContact CE2-CD2 3.88Å; F302-F525 HydrophobicContact CE2-CD2 3.88Å; F302-F525 HydrophobicContact CE2-CE1 4.15Å; F302-F525 AromaticContact CE2-CE2 3.83Å; F302-F525 HydrophobicContact CE2-CE2 3.83Å; F302-F525 HydrophobicContact CE2-CG 4.11Å; F302-F525 AromaticContact CE2-CZ 3.98Å; F302-F525 HydrophobicContact CE2-CZ 3.98Å; F302-F525 HydrophobicContact CZ-CD1 4.18Å; F302-F525 HydrophobicContact CZ-CD2 4.48Å; F302-F525 HydrophobicContact CZ-CE1 4.39Å; F302-F525 HydrophobicContact CZ-CG 4.27Å; V303-F525 HydrophobicContact CG2-CD2 3.93Å; V303-F525 HydrophobicContact CG2-CE2 4.31Å; L521-F525 HydrophobicContact CB-CD2 4.45Å; L521-F525 HydrophobicContact CB-CE2 4.42Å; L521-F525 HydrophobicContact CD2-CE2 3.91Å; L521-F525 WeakPolarHBondContact O-CD2 3.12Å; L521-F525 PolarHBondContact O-N 3.24Å; L522-F525 PolarHBondContact O-N 2.9Å; Y523-F525 PolarHBondContact O-N 3.21Å; F525-F534 HydrophobicContact CD2-CZ 4.15Å; F525-F534 HydrophobicContact CE1-CZ 4.42Å; F525-F534 AromaticContact CE2-CZ 3.9Å; F525-F534 HydrophobicContact CE2-CZ 3.9Å; F525-F534 HydrophobicContact CG-CZ 4.48Å; F525-F534 HydrophobicContact CZ-CZ 4.03Å; F525-L551 HydrophobicContact CD1-CD1 3.75Å; F525-L551 HydrophobicContact CE1-CD1 3.9Å; F525-L551 PolarHBondContact O-N 3.07Å; F525-L551 VanDerWaalsContact O-N 3.08Å; F525-H553 AromaticContact CD1-CE1 3.95Å; F525-V566 HydrophobicContact CE1-CB 4.14Å; F525-V566 HydrophobicContact CE1-CG1 3.6Å; F525-V566 HydrophobicContact CZ-CB 4.45Å; F525-V566 HydrophobicContact CZ-CG1 3.62Å; F525-V567 HydrophobicContact CE1-CG2 4Å; F525-V567 HydrophobicContact CZ-CG2 3.66Å
526	L	97.6	Very high	97	Very high	13 Å²	13	21.5 Å²	21.5	7%	0.068	11%	0.107	C	C	.	.	H	α-helix	trans	-105.7	-15.4	-166.4	-60.5	178	0	0	0	115.7	A295 V299 A460 I463 L522 P550	A295-L526 HydrophobicContact CB-CD1 4.22Å; A295-L526 HydrophobicContact CB-CD2 3.68Å; V299-L526 HydrophobicContact CB-CD2 3.96Å; V299-L526 HydrophobicContact CB-CG 4.49Å; V299-L526 HydrophobicContact CG1-CD1 4.2Å; V299-L526 HydrophobicContact CG1-CD2 3.9Å; V299-L526 HydrophobicContact CG1-CG 3.93Å; V299-L526 HydrophobicContact CG2-CD2 3.78Å; A460-L526 HydrophobicContact CB-CB 4.09Å; I463-L526 HydrophobicContact CD1-CD1 3.51Å; I463-L526 HydrophobicContact CG1-CD1 4.35Å; L522-L526 HydrophobicContact CD2-CD1 3.98Å; L522-L526 VanDerWaalsContact O-CB 3.28Å; L522-L526 WeakPolarHBondContact O-CB 2.94Å; L522-L526 PolarHBondContact O-N 2.92Å; L526-P550 WeakPolarHBondContact O-CB 3.28Å
527	I	96.7	Very high	96.9	Very high	55 Å²	55	18.9 Å²	18.9	28%	0.282	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-62.2	-178.6	-52.4	-62.8	0	0	0	110.3	A460 Y467 Y523 G549 P550	A460-I527 HydrophobicContact CB-CD1 3.81Å; Y467-I527 HydrophobicContact CD2-CD1 4.32Å; Y467-I527 HydrophobicContact CD2-CG1 4.27Å; Y467-I527 HydrophobicContact CE2-CD1 3.98Å; Y467-I527 HydrophobicContact CE2-CG1 3.63Å; Y523-I527 HydrophobicContact CD2-CB 3.87Å; Y523-I527 HydrophobicContact CD2-CG1 3.97Å; Y523-I527 HydrophobicContact CD2-CG2 4.13Å; Y523-I527 HydrophobicContact CE2-CB 3.92Å; Y523-I527 HydrophobicContact CE2-CG1 4.36Å; Y523-I527 HydrophobicContact CE2-CG2 3.67Å; Y523-I527 HydrophobicContact CG-CB 4.41Å; Y523-I527 WeakPolarHBondContact O-CA 3.39Å; Y523-I527 WeakPolarHBondContact O-CB 3.34Å; Y523-I527 PolarHBondContact O-N 3.12Å; I527-G549 CarbonylContact O-C 3.45Å; I527-P550 WeakPolarHBondContact O-CD 3.36Å
528	K	96.7	Very high	96.8	Very high	62 Å²	62	18.8 Å²	18.8	27%	0.27	9%	0.094	S	C	.	.			trans	-148.8	107.2	-172.5	-172.1	170	-174.2	-178.3	0	112.3	Y523 G524 N530 N531	Y523-K528 HydrophobicContact CE1-CB 4.03Å; Y523-K528 PolarHBondContact O-N 2.82Å; G524-K528 CarbonylContact O-C 3.57Å; K528-N530 WeakPolarHBondContact CE-O 3.23Å; K528-N531 PolarHBondContact O-ND2 3.4Å
529	A	96.4	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-68.1	-37.7	177.4	0	0	0	0	0	112.1	G524 N531 F534 L546 G549 L551	G524-A529 WeakPolarHBondContact O-CA 3.08Å; G524-A529 PolarHBondContact O-N 3.15Å; A529-N531 PolarHBondContact O-N 3.45Å; A529-N531 PolarHBondContact O-ND2 3.25Å; A529-F534 WeakPolarHBondContact O-CD2 3.22Å; A529-L546 HydrophobicContact CB-CD2 4.14Å; A529-G549 PolarHBondContact N-O 3.23Å; A529-L551 HydrophobicContact CB-CD1 4.38Å; A529-L551 HydrophobicContact CB-CD2 3.56Å; A529-L551 HydrophobicContact CB-CG 3.69Å
530	N	95.8	Very high	96.3	Very high	41 Å²	41	30.6 Å²	30.6	22%	0.219	15%	0.146	C	C	.	.	S	Bend	trans	-77.8	71.7	177.7	-166.3	21.1	0	0	0	111.9	K528 Q535 L546 G547 D548	K528-N530 WeakPolarHBondContact CE-O 3.23Å; N530-Q535 PolarHBondContact OD1-NE2 3.45Å; N530-L546 HydrophobicContact CB-CB 4.21Å; N530-G547 WeakPolarHBondContact CB-O 3.44Å; N530-G547 PolarHBondContact N-O 2.92Å; N530-D548 PolarHBondContact ND2-OD1 3.3Å
531	N	94.6	Very high	96	Very high	10 Å²	10	31.7 Å²	31.7	5%	0.053	16%	0.156	C	C	.	.			trans	-119.3	166.1	-179.7	67.3	67.6	0	0	0	112.5	Y523 G524 K528 A529 W533 F534 Q535	Y523-N531 HydrophobicContact CE1-CB 4.21Å; G524-N531 WeakPolarHBondContact CA-ND2 3.4Å; K528-N531 PolarHBondContact O-ND2 3.4Å; A529-N531 PolarHBondContact O-N 3.45Å; A529-N531 PolarHBondContact O-ND2 3.25Å; N531-W533 VanDerWaalsContact C-N 3.27Å; N531-W533 PolarHBondContact O-N 2.96Å; N531-W533 PolarHBondContact OD1-N 3.08Å; N531-W533 VanDerWaalsContact OD1-N 3.08Å; N531-F534 WeakPolarHBondContact ND2-CD2 3.45Å; N531-F534 PolarHBondContact OD1-N 3.31Å; N531-Q535 WeakPolarHBondContact O-CB 3.49Å; N531-Q535 WeakPolarHBondContact O-CG 3.16Å; N531-Q535 PolarHBondContact O-N 3.36Å
532	S	94.3	Very high	95.8	Very high	56 Å²	56	32 Å²	32	39%	0.392	16%	0.158	S	C	.	.	H	α-helix	trans	-60.8	-33.9	-175.6	59.1	0	0	0	0	113.3	L477 S536	L477-S532 WeakPolarHBondContact CD2-OG 3.11Å; S532-S536 PolarHBondContact O-N 3Å
533	W	96.4	Very high	95.5	Very high	32 Å²	32	38.5 Å²	38.5	12%	0.121	18%	0.182	C	C	.	.	H	α-helix	trans	-78.3	-50.4	-179	-176	59.9	0	0	0	112.7	L477 R520 L521 N531 Q535 S536 I537	L477-W533 HydrophobicContact CD2-CB 4.03Å; R520-W533 HydrophobicContact CB-CD2 4.43Å; R520-W533 HydrophobicContact CB-CE3 3.88Å; R520-W533 HydrophobicContact CB-CZ3 3.99Å; L521-W533 HydrophobicContact CD2-CH2 3.57Å; L521-W533 HydrophobicContact CD2-CZ3 3.63Å; L521-W533 HydrophobicContact CG-CH2 3.84Å; L521-W533 HydrophobicContact CG-CZ3 3.89Å; N531-W533 VanDerWaalsContact C-N 3.27Å; N531-W533 PolarHBondContact O-N 2.96Å; N531-W533 PolarHBondContact OD1-N 3.08Å; N531-W533 VanDerWaalsContact OD1-N 3.08Å; W533-Q535 VanDerWaalsContact C-N 3.31Å; W533-Q535 PolarHBondContact O-N 3.25Å; W533-S536 WeakPolarHBondContact O-CA 3.32Å; W533-S536 WeakPolarHBondContact O-CB 3.16Å; W533-S536 PolarHBondContact O-N 3.3Å; W533-S536 PolarHBondContact O-OG 2.86Å; W533-I537 PolarHBondContact O-N 3.23Å
534	F	97.1	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-38.6	176	-79.2	-1.4	0	0	0	112.5	L521 G524 F525 A529 N531 S536 I537 L538 L546 V566	L521-F534 HydrophobicContact CD2-CE1 4.49Å; G524-F534 WeakPolarHBondContact O-CE2 3.29Å; F525-F534 HydrophobicContact CD2-CZ 4.15Å; F525-F534 HydrophobicContact CE1-CZ 4.42Å; F525-F534 AromaticContact CE2-CZ 3.9Å; F525-F534 HydrophobicContact CE2-CZ 3.9Å; F525-F534 HydrophobicContact CG-CZ 4.48Å; F525-F534 HydrophobicContact CZ-CZ 4.03Å; A529-F534 WeakPolarHBondContact O-CD2 3.22Å; N531-F534 WeakPolarHBondContact ND2-CD2 3.45Å; N531-F534 PolarHBondContact OD1-N 3.31Å; F534-S536 PolarHBondContact O-N 2.66Å; F534-I537 HydrophobicContact CD1-CD1 3.86Å; F534-I537 HydrophobicContact CE1-CD1 4.43Å; F534-I537 VanDerWaalsContact O-CG1 3.27Å; F534-I537 WeakPolarHBondContact O-CG1 3.34Å; F534-I537 PolarHBondContact O-N 2.92Å; F534-L538 WeakPolarHBondContact O-CG 3.48Å; F534-L538 PolarHBondContact O-N 3.27Å; F534-L546 HydrophobicContact CB-CD1 3.89Å; F534-L546 HydrophobicContact CB-CD2 4.22Å; F534-L546 HydrophobicContact CD2-CD2 4.26Å; F534-V566 HydrophobicContact CD1-CG1 4.31Å; F534-V566 HydrophobicContact CD2-CG1 3.89Å; F534-V566 HydrophobicContact CE1-CG1 3.98Å; F534-V566 HydrophobicContact CE2-CG1 3.54Å; F534-V566 HydrophobicContact CG-CG1 4.28Å; F534-V566 HydrophobicContact CZ-CG1 3.6Å
535	Q	95.4	Very high	94.9	Very high	28 Å²	28	46.6 Å²	46.6	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-30.1	171.9	-71.5	176.9	28.5	0	0	112.5	N530 N531 W533 L546 Q606	N530-Q535 PolarHBondContact OD1-NE2 3.45Å; N531-Q535 WeakPolarHBondContact O-CB 3.49Å; N531-Q535 WeakPolarHBondContact O-CG 3.16Å; N531-Q535 PolarHBondContact O-N 3.36Å; W533-Q535 VanDerWaalsContact C-N 3.31Å; W533-Q535 PolarHBondContact O-N 3.25Å; Q535-L546 HydrophobicContact CG-CD1 3.87Å; Q535-Q606 WeakPolarHBondContact O-CB 3.31Å; Q535-Q606 PolarHBondContact O-OE1 2.83Å
536	S	95.6	Very high	94.7	Very high	18 Å²	18	47.1 Å²	47.1	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-78.1	-23.5	-178.3	77.4	0	0	0	0	114.5	S532 W533 F534 G607	S532-S536 PolarHBondContact O-N 3Å; W533-S536 WeakPolarHBondContact O-CA 3.32Å; W533-S536 WeakPolarHBondContact O-CB 3.16Å; W533-S536 PolarHBondContact O-N 3.3Å; W533-S536 PolarHBondContact O-OG 2.86Å; F534-S536 PolarHBondContact O-N 2.66Å; S536-G607 VanDerWaalsContact CA-O 3.3Å; S536-G607 WeakPolarHBondContact CA-O 3.36Å; S536-G607 VanDerWaalsContact CB-C 3.48Å; S536-G607 WeakPolarHBondContact CB-O 3.21Å; S536-G607 VanDerWaalsContact O-CA 3.23Å; S536-G607 WeakPolarHBondContact O-CA 3.34Å; S536-G607 PolarHBondContact O-N 3.28Å
537	I	96.1	Very high	94.4	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-96.7	-23.1	-177.7	63	175.4	0	0	0	112.9	W533 F534 Y569 A570 N573 V605	W533-I537 PolarHBondContact O-N 3.23Å; F534-I537 HydrophobicContact CD1-CD1 3.86Å; F534-I537 HydrophobicContact CE1-CD1 4.43Å; F534-I537 VanDerWaalsContact O-CG1 3.27Å; F534-I537 WeakPolarHBondContact O-CG1 3.34Å; F534-I537 PolarHBondContact O-N 2.92Å; I537-Y569 WeakPolarHBondContact O-CD1 3.05Å; I537-A570 HydrophobicContact CD1-CB 4.1Å; I537-N573 HydrophobicContact CB-CB 4.45Å; I537-N573 HydrophobicContact CG2-CB 3.85Å; I537-N573 WeakPolarHBondContact CG2-ND2 3.26Å; I537-V605 WeakPolarHBondContact O-CB 3.48Å; I537-V605 WeakPolarHBondContact O-CG1 3.38Å
538	L	95.4	Very high	94	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.264	C	S	.	.	S	Bend	trans	-79.8	159.7	178.1	-69.6	-177.1	0	0	0	112	F534 L542 L546 V566 Y569 Q606	F534-L538 WeakPolarHBondContact O-CG 3.48Å; F534-L538 PolarHBondContact O-N 3.27Å; L538-L542 HydrophobicContact CB-CB 4.35Å; L538-L542 HydrophobicContact CD1-CB 4.42Å; L538-L542 HydrophobicContact CD2-CB 4.43Å; L538-L542 HydrophobicContact CD2-CD1 4.44Å; L538-L546 HydrophobicContact CD1-CD1 3.67Å; L538-L546 HydrophobicContact CD1-CD2 3.74Å; L538-L546 HydrophobicContact CD1-CG 3.57Å; L538-V566 HydrophobicContact CD1-CG2 4.44Å; L538-Y569 HydrophobicContact CD2-CD2 3.61Å; L538-Y569 HydrophobicContact CD2-CE2 4.48Å; L538-Y569 HydrophobicContact CD2-CG 3.74Å; L538-Q606 WeakPolarHBondContact O-CB 3.21Å; L538-Q606 VanDerWaalsContact O-CG 3.29Å; L538-Q606 WeakPolarHBondContact O-CG 2.96Å; L538-Q606 PolarHBondContact O-N 3.49Å
539	R	94.4	Very high	93.9	Very high	82 Å²	82	49.8 Å²	49.8	31%	0.309	27%	0.267	S	S	.	.			trans	-73.1	164.3	166.2	-65.1	169.7	46.8	146.7	-10.6	111.4	D541 L542 Y569 W604 Q606	R539-D541 WeakPolarHBondContact CB-OD1 3.36Å; R539-D541 IonicContact CZ-OD1 2.74Å; R539-D541 IonicContact CZ-OD2 3.93Å; R539-D541 IonicContact NE-OD1 3.4Å; R539-D541 PolarHBondContact NE-OD1 3.39Å; R539-D541 IonicContact NE-OD2 3.11Å; R539-D541 PolarHBondContact NE-OD2 3.45Å; R539-D541 IonicContact NH2-OD1 3.87Å; R539-D541 PolarHBondContact NH2-OD1 3.46Å; R539-D541 IonicContact NH2-OD2 3.28Å; R539-D541 PolarHBondContact NH2-OD2 3.23Å; R539-D541 PolarHBondContact O-N 2.94Å; R539-L542 HydrophobicContact CB-CD1 4.33Å; R539-L542 HydrophobicContact CB-CG 4.32Å; R539-L542 PolarHBondContact O-N 3.2Å; R539-Y569 WeakPolarHBondContact CD-OH 3.24Å; R539-Y569 HydrophobicContact CG-CE1 3.83Å; R539-W604 WeakPolarHBondContact CG-O 3.43Å; R539-Q606 PolarHBondContact O-NE2 2.82Å
540	Q	92	Very high	93.9	Very high	166 Å²	166	52.5 Å²	52.5	78%	0.776	28%	0.284	S	S	*	.	S	Bend	trans	-63.2	-38.8	-179.2	-171.1	173.3	2.6	0	0	113.4	L542 R543 Q606	Q540-L542 VanDerWaalsContact C-N 3.27Å; Q540-L542 PolarHBondContact O-N 2.92Å; Q540-R543 WeakPolarHBondContact O-CB 3.47Å; Q540-R543 PolarHBondContact O-N 3.25Å; Q540-Q606 HydrophobicContact CB-CG 4.37Å
541	D	92.3	Very high	93.9	Very high	88 Å²	88	51 Å²	51	47%	0.471	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.9	177.7	54.1	-33.2	0	0	0	113.4	R539	R539-D541 WeakPolarHBondContact CB-OD1 3.36Å; R539-D541 IonicContact CZ-OD1 2.74Å; R539-D541 IonicContact CZ-OD2 3.93Å; R539-D541 IonicContact NE-OD1 3.4Å; R539-D541 PolarHBondContact NE-OD1 3.39Å; R539-D541 IonicContact NE-OD2 3.11Å; R539-D541 PolarHBondContact NE-OD2 3.45Å; R539-D541 IonicContact NH2-OD1 3.87Å; R539-D541 PolarHBondContact NH2-OD1 3.46Å; R539-D541 IonicContact NH2-OD2 3.28Å; R539-D541 PolarHBondContact NH2-OD2 3.23Å; R539-D541 PolarHBondContact O-N 2.94Å
542	L	93.6	Very high	94	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.2	-179.4	-59.9	179.6	0	0	0	113.5	L538 R539 Q540 S544 Y545 Y565 Y569	L538-L542 HydrophobicContact CB-CB 4.35Å; L538-L542 HydrophobicContact CD1-CB 4.42Å; L538-L542 HydrophobicContact CD2-CB 4.43Å; L538-L542 HydrophobicContact CD2-CD1 4.44Å; R539-L542 HydrophobicContact CB-CD1 4.33Å; R539-L542 HydrophobicContact CB-CG 4.32Å; R539-L542 PolarHBondContact O-N 3.2Å; Q540-L542 VanDerWaalsContact C-N 3.27Å; Q540-L542 PolarHBondContact O-N 2.92Å; L542-S544 PolarHBondContact O-N 3.37Å; L542-Y545 HydrophobicContact CB-CD2 4.42Å; L542-Y545 HydrophobicContact CD2-CD2 4.07Å; L542-Y545 HydrophobicContact CD2-CE2 3.9Å; L542-Y545 WeakPolarHBondContact O-CB 3.37Å; L542-Y545 PolarHBondContact O-N 3.33Å; L542-Y545 VanDerWaalsContact O-N 3.12Å; L542-Y565 HydrophobicContact CD1-CD1 3.8Å; L542-Y565 HydrophobicContact CD1-CE1 4.18Å; L542-Y565 HydrophobicContact CD1-CG 4.19Å; L542-Y565 HydrophobicContact CD2-CD1 4.14Å; L542-Y565 HydrophobicContact CD2-CD2 4.12Å; L542-Y565 HydrophobicContact CD2-CE1 3.99Å; L542-Y565 HydrophobicContact CD2-CE2 3.95Å; L542-Y565 HydrophobicContact CD2-CG 4.19Å; L542-Y569 HydrophobicContact CD1-CD2 3.98Å; L542-Y569 HydrophobicContact CD1-CE2 3.25Å
543	R	90.8	Very high	94.1	Very high	136 Å²	136	50.2 Å²	50.2	51%	0.513	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.6	-33	-179.2	-172.8	178.1	176.4	-176.1	0.1	113	Q540 Y545 L546	Q540-R543 WeakPolarHBondContact O-CB 3.47Å; Q540-R543 PolarHBondContact O-N 3.25Å; R543-Y545 PolarHBondContact O-N 2.81Å; R543-L546 PolarHBondContact O-N 3.04Å; R543-L546 VanDerWaalsContact O-N 3.15Å
544	S	92.4	Very high	94.1	Very high	103 Å²	103	49.5 Å²	49.5	72%	0.72	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-66.3	-15.8	179.4	53	0	0	0	0	113.9	L542 L546	L542-S544 PolarHBondContact O-N 3.37Å; S544-L546 VanDerWaalsContact C-N 3.28Å
545	Y	91.3	Very high	94	Very high	74 Å²	74	49.5 Å²	49.5	29%	0.29	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-81.9	-6.2	176.6	-66.8	-98.4	0	0	0	112.6	L542 R543 N562 Y565	L542-Y545 HydrophobicContact CB-CD2 4.42Å; L542-Y545 HydrophobicContact CD2-CD2 4.07Å; L542-Y545 HydrophobicContact CD2-CE2 3.9Å; L542-Y545 WeakPolarHBondContact O-CB 3.37Å; L542-Y545 PolarHBondContact O-N 3.33Å; L542-Y545 VanDerWaalsContact O-N 3.12Å; R543-Y545 PolarHBondContact O-N 2.81Å; Y545-N562 HydrophobicContact CD1-CB 4.41Å; Y545-N562 WeakPolarHBondContact CD1-OD1 3.44Å; Y545-N562 PolarHBondContact O-ND2 3.1Å; Y545-Y565 HydrophobicContact CD1-CD2 4.13Å; Y545-Y565 HydrophobicContact CD1-CE2 4.49Å; Y545-Y565 HydrophobicContact CE1-CD2 4.09Å; Y545-Y565 AromaticContact CE1-CE2 3.99Å; Y545-Y565 HydrophobicContact CE1-CE2 3.99Å; Y545-Y565 HydrophobicContact CE2-CE2 4.39Å; Y545-Y565 HydrophobicContact CG-CD2 4.43Å; Y545-Y565 AromaticContact CZ-CE2 3.92Å
546	L	93.4	Very high	93.4	Very high	11 Å²	11	49 Å²	49	6%	0.058	26%	0.263	C	S	.	.			trans	-96.5	104.6	173.6	-61.4	-176.5	0	0	0	110.4	A529 N530 F534 Q535 L538 R543 S544 V566	A529-L546 HydrophobicContact CB-CD2 4.14Å; N530-L546 HydrophobicContact CB-CB 4.21Å; F534-L546 HydrophobicContact CB-CD1 3.89Å; F534-L546 HydrophobicContact CB-CD2 4.22Å; F534-L546 HydrophobicContact CD2-CD2 4.26Å; Q535-L546 HydrophobicContact CG-CD1 3.87Å; L538-L546 HydrophobicContact CD1-CD1 3.67Å; L538-L546 HydrophobicContact CD1-CD2 3.74Å; L538-L546 HydrophobicContact CD1-CG 3.57Å; R543-L546 PolarHBondContact O-N 3.04Å; R543-L546 VanDerWaalsContact O-N 3.15Å; S544-L546 VanDerWaalsContact C-N 3.28Å; L546-V566 HydrophobicContact CD2-CG2 3.78Å
547	G	91.3	Very high	92.9	Very high	38 Å²	38	50.2 Å²	50.2	39%	0.392	27%	0.27	S	S	.	.			trans	-85.4	164.2	171.9	0	0	0	0	0	112.8	N530 G549	N530-G547 WeakPolarHBondContact CB-O 3.44Å; N530-G547 PolarHBondContact N-O 2.92Å; G547-G549 PolarHBondContact O-N 3.16Å
548	D	89.6	Confident	92.1	Very high	117 Å²	117	53.9 Å²	53.9	63%	0.626	30%	0.297	S	S	*	.	S	Bend	trans	-73.8	-6.9	178.9	-73	-29.9	0	0	0	114.4	N530	N530-D548 PolarHBondContact ND2-OD1 3.3Å
549	G	93.1	Very high	91.2	Very high	32 Å²	32	56 Å²	56	33%	0.33	31%	0.312	S	S	.	.	S	Bend	trans	-108.2	-170.2	175	0	0	0	0	0	113.5	I527 A529 G547	I527-G549 CarbonylContact O-C 3.45Å; A529-G549 PolarHBondContact N-O 3.23Å; G547-G549 PolarHBondContact O-N 3.16Å
550	P	96	Very high	91	Very high	57 Å²	57	53 Å²	53	37%	0.37	30%	0.302	S	S	.	.			trans	-67.8	152.1	172.8	28.4	-34.7	0	0	0	111.7	L526 I527 Q552	L526-P550 WeakPolarHBondContact O-CB 3.28Å; I527-P550 WeakPolarHBondContact O-CD 3.36Å; P550-Q552 PolarHBondContact O-NE2 2.98Å
551	L	96.5	Very high	91.1	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	27%	0.268	C	S	.	.			trans	-69.5	151	171.8	-67.6	-177.5	0	0	0	110.2	F525 A529 N562 V566	F525-L551 HydrophobicContact CD1-CD1 3.75Å; F525-L551 HydrophobicContact CE1-CD1 3.9Å; F525-L551 PolarHBondContact O-N 3.07Å; F525-L551 VanDerWaalsContact O-N 3.08Å; A529-L551 HydrophobicContact CB-CD1 4.38Å; A529-L551 HydrophobicContact CB-CD2 3.56Å; A529-L551 HydrophobicContact CB-CG 3.69Å; L551-N562 HydrophobicContact CD2-CB 3.94Å; L551-V566 HydrophobicContact CD1-CB 4.12Å; L551-V566 HydrophobicContact CD1-CG1 4.29Å; L551-V566 HydrophobicContact CD1-CG2 3.96Å
552	Q	96.2	Very high	91.2	Very high	50 Å²	50	44.2 Å²	44.2	23%	0.234	26%	0.261	C	S	.	.			trans	-107	134.9	173.7	-53.5	-59.6	-43.7	0	0	107.3	N290 P550 T563	N290-Q552 WeakPolarHBondContact O-CG 3.4Å; P550-Q552 PolarHBondContact O-NE2 2.98Å; Q552-T563 PolarHBondContact O-OG1 3.48Å
553	H	97	Very high	91.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.259	C	S	.	.			trans	-100.8	22.3	-170.6	-60.2	-80.9	0	0	0	112.4	D283 S284 A292 P293 V299 F302 F525 T563	D283-H553 CarbonylContact C-O 3.51Å; D283-H553 WeakPolarHBondContact CA-O 3.3Å; D283-H553 WeakPolarHBondContact CB-O 3.41Å; S284-H553 PolarHBondContact N-O 3.23Å; S284-H553 CarbonylContact O-C 3.54Å; A292-H553 PolarHBondContact O-N 3.38Å; P293-H553 PolarHBondContact O-CD2 2.71Å; V299-H553 VanDerWaalsContact CG2-NE2 3.27Å; V299-H553 WeakPolarHBondContact CG2-NE2 3.28Å; F302-H553 AromaticContact CE1-ND1 3.96Å; F302-H553 AromaticContact CZ-CE1 3.68Å; F302-H553 AromaticContact CZ-ND1 3.97Å; F525-H553 AromaticContact CD1-CE1 3.95Å; H553-T563 VanDerWaalsContact ND1-CG2 3.33Å; H553-T563 WeakPolarHBondContact ND1-CG2 3.43Å; H553-T563 PolarHBondContact ND1-OG1 2.97Å
554	Y	96.6	Very high	91.6	Very high	18 Å²	18	37.4 Å²	37.4	7%	0.071	24%	0.235	C	C	.	.			trans	-74.1	130.3	175.3	178.6	-106.2	0	0	0	111.1	S284 R285 W289 F335 A556 E650	S284-Y554 WeakPolarHBondContact O-CA 3.48Å; R285-Y554 HydrophobicContact CB-CD2 4.32Å; W289-Y554 AromaticContact CD1-CE1 3.83Å; W289-Y554 AromaticContact NE1-CE1 3.83Å; F335-Y554 HydrophobicContact CE2-CD2 4.28Å; F335-Y554 AromaticContact CE2-CE2 3.88Å; F335-Y554 HydrophobicContact CE2-CE2 3.88Å; F335-Y554 HydrophobicContact CZ-CD2 4.46Å; F335-Y554 AromaticContact CZ-CE2 3.78Å; F335-Y554 HydrophobicContact CZ-CE2 3.78Å; Y554-A556 HydrophobicContact CD1-CB 4.09Å; Y554-A556 HydrophobicContact CE1-CB 4.29Å; Y554-A556 PolarHBondContact O-N 2.87Å; Y554-A556 VanDerWaalsContact O-N 3.1Å; Y554-E650 WeakPolarHBondContact CE1-OE2 3.45Å; Y554-E650 PolarHBondContact OH-OE1 3.25Å; Y554-E650 PolarHBondContact OH-OE2 2.94Å
555	I	94.3	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.208	C	C	.	.			trans	-69.3	104.6	167.5	-179.3	170.1	0	0	0	108.8	D253 F335 I338	D253-I555 HydrophobicContact CB-CD1 4.22Å; D253-I555 HydrophobicContact CB-CG1 4.07Å; F335-I555 HydrophobicContact CD2-CG2 3.33Å; F335-I555 HydrophobicContact CE2-CG2 3.52Å; I338-I555 HydrophobicContact CD1-CD1 4.34Å
556	A	82.9	Confident	92.1	Very high	16 Å²	16	31 Å²	31	13%	0.132	20%	0.195	C	C	.	.			trans	-91.1	162.1	-179	0	0	0	0	0	112	Y554 S558 T561	Y554-A556 HydrophobicContact CD1-CB 4.09Å; Y554-A556 HydrophobicContact CE1-CB 4.29Å; Y554-A556 PolarHBondContact O-N 2.87Å; Y554-A556 VanDerWaalsContact O-N 3.1Å; A556-S558 PolarHBondContact O-N 3.46Å; A556-T561 HydrophobicContact CB-CG2 3.93Å
557	V	86.4	Confident	92.3	Very high	44 Å²	44	30.5 Å²	30.5	27%	0.267	19%	0.192	S	C	.	.	S	Bend	trans	-61.7	-32.3	167.3	171.1	0	0	0	0	112.1	D249 L251 S559 E650	D249-V557 HydrophobicContact CB-CB 4.16Å; D249-V557 HydrophobicContact CB-CG1 3.3Å; D249-V557 HydrophobicContact CB-CG2 3.71Å; D249-V557 VanDerWaalsContact CG-CG1 3.49Å; L251-V557 HydrophobicContact CD2-CG2 4.29Å; V557-S559 PolarHBondContact O-N 3.28Å; V557-S559 VanDerWaalsContact O-N 3.14Å; V557-E650 HydrophobicContact CG2-CB 3.7Å; V557-E650 HydrophobicContact CG2-CG 4.11Å; V557-E650 WeakPolarHBondContact CG2-OE2 3.28Å
558	S	78	Confident	92.6	Very high	84 Å²	84	29.1 Å²	29.1	59%	0.587	18%	0.176	S	C	*	.	S	Bend	trans	-74.9	101.4	175	59	0	0	0	0	110	A556 P560	A556-S558 PolarHBondContact O-N 3.46Å; S558-P560 CarbonylContact O-C 3.6Å
559	S	77.9	Confident	93	Very high	46 Å²	46	24.3 Å²	24.3	32%	0.322	15%	0.149	S	C	.	.	S	Bend	trans	-106.9	136.8	178.4	70.4	0	0	0	0	112.3	S252 V557 R629	S252-S559 WeakPolarHBondContact O-CB 3.48Å; V557-S559 PolarHBondContact O-N 3.28Å; V557-S559 VanDerWaalsContact O-N 3.14Å; S559-R629 VanDerWaalsContact CB-NH1 3.32Å; S559-R629 PolarHBondContact OG-NH1 3.32Å
560	P	90	Very high	93.3	Very high	17 Å²	17	22.8 Å²	22.8	11%	0.11	13%	0.133	C	C	.	.	S	Bend	cis	-79.8	150.6	-2.2	-14.6	31.4	0	0	0	114.9	D253 Y254 S558 T564 Y565	D253-P560 WeakPolarHBondContact OD1-CA 3.48Å; Y254-P560 HydrophobicContact CD2-CB 4.12Å; Y254-P560 HydrophobicContact CD2-CG 3.75Å; Y254-P560 HydrophobicContact CE2-CG 3.84Å; S558-P560 CarbonylContact O-C 3.6Å; P560-T564 HydrophobicContact CB-CG2 4.12Å; P560-Y565 HydrophobicContact CB-CD2 4.08Å; P560-Y565 HydrophobicContact CB-CE1 4.31Å; P560-Y565 HydrophobicContact CB-CE2 3.65Å; P560-Y565 VanDerWaalsContact CD-OH 3.24Å; P560-Y565 WeakPolarHBondContact CD-OH 3.4Å; P560-Y565 HydrophobicContact CG-CE1 4.05Å; P560-Y565 HydrophobicContact CG-CE2 3.83Å; P560-Y565 VanDerWaalsContact CG-CZ 3.48Å; P560-Y565 WeakPolarHBondContact CG-OH 3.34Å
561	T	93.1	Very high	93.4	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.049	12%	0.115	C	C	.	.			trans	-75.7	163.9	174.5	64.9	0	0	0	0	112.3	D253 Q331 A556 T563 T564 Y565	D253-T561 PolarHBondContact OD1-N 3.4Å; D253-T561 VanDerWaalsContact OD2-CB 3.31Å; D253-T561 WeakPolarHBondContact OD2-CB 3.47Å; D253-T561 VanDerWaalsContact OD2-CG2 3.23Å; D253-T561 WeakPolarHBondContact OD2-CG2 3.12Å; D253-T561 PolarHBondContact OD2-N 3.46Å; D253-T561 VanDerWaalsContact OD2-N 3.13Å; D253-T561 PolarHBondContact OD2-OG1 2.97Å; Q331-T561 PolarHBondContact NE2-OG1 3.43Å; A556-T561 HydrophobicContact CB-CG2 3.93Å; T561-T563 VanDerWaalsContact C-N 3.3Å; T561-T563 PolarHBondContact O-N 2.97Å; T561-T564 PolarHBondContact O-N 3.36Å; T561-T564 PolarHBondContact OG1-OG1 3.11Å; T561-Y565 PolarHBondContact O-N 2.98Å
562	N	93.8	Very high	93.5	Very high	62 Å²	62	19.9 Å²	19.9	33%	0.332	12%	0.115	S	C	.	.	H	α-helix	trans	-56.6	-44.2	179.5	-55.2	33.7	0	0	0	111.6	Y545 L551 T564 Y565 V566	Y545-N562 HydrophobicContact CD1-CB 4.41Å; Y545-N562 WeakPolarHBondContact CD1-OD1 3.44Å; Y545-N562 PolarHBondContact O-ND2 3.1Å; L551-N562 HydrophobicContact CD2-CB 3.94Å; N562-T564 PolarHBondContact O-N 2.89Å; N562-Y565 PolarHBondContact O-N 3.41Å; N562-V566 WeakPolarHBondContact O-CG2 3.43Å; N562-V566 PolarHBondContact O-N 2.93Å
563	T	96	Very high	93.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-44	179.1	-61.3	0	0	0	0	111.7	L282 Q552 H553 T561 Y565 V566 V567	L282-T563 HydrophobicContact CD1-CG2 3.66Å; L282-T563 HydrophobicContact CD2-CG2 4.4Å; L282-T563 HydrophobicContact CG-CG2 3.86Å; Q552-T563 PolarHBondContact O-OG1 3.48Å; H553-T563 VanDerWaalsContact ND1-CG2 3.33Å; H553-T563 WeakPolarHBondContact ND1-CG2 3.43Å; H553-T563 PolarHBondContact ND1-OG1 2.97Å; T561-T563 VanDerWaalsContact C-N 3.3Å; T561-T563 PolarHBondContact O-N 2.97Å; T563-Y565 PolarHBondContact O-N 3.18Å; T563-V566 PolarHBondContact O-N 2.63Å; T563-V567 HydrophobicContact CG2-CG2 4.48Å; T563-V567 WeakPolarHBondContact O-CB 3.4Å; T563-V567 WeakPolarHBondContact O-CG2 3.07Å; T563-V567 PolarHBondContact O-N 3.43Å
564	T	97.3	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-46.6	-179.9	-62.1	0	0	0	0	111.7	D253 Y254 V256 Q331 P560 T561 N562 Q568 L627	D253-T564 PolarHBondContact OD2-OG1 3.33Å; Y254-T564 WeakPolarHBondContact O-CG2 3.29Å; V256-T564 HydrophobicContact CG2-CG2 4.04Å; Q331-T564 PolarHBondContact NE2-OG1 2.95Å; P560-T564 HydrophobicContact CB-CG2 4.12Å; T561-T564 PolarHBondContact O-N 3.36Å; T561-T564 PolarHBondContact OG1-OG1 3.11Å; N562-T564 PolarHBondContact O-N 2.89Å; T564-Q568 WeakPolarHBondContact O-CB 3.34Å; T564-Q568 PolarHBondContact O-N 2.94Å; T564-L627 HydrophobicContact CG2-CD2 3.83Å
565	Y	96.3	Very high	93.6	Very high	42 Å²	42	20.8 Å²	20.8	17%	0.165	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-50.2	175.5	-77.4	-56.4	0	0	0	111.9	L542 Y545 P560 T561 N562 T563 V567 Q568 Y569	L542-Y565 HydrophobicContact CD1-CD1 3.8Å; L542-Y565 HydrophobicContact CD1-CE1 4.18Å; L542-Y565 HydrophobicContact CD1-CG 4.19Å; L542-Y565 HydrophobicContact CD2-CD1 4.14Å; L542-Y565 HydrophobicContact CD2-CD2 4.12Å; L542-Y565 HydrophobicContact CD2-CE1 3.99Å; L542-Y565 HydrophobicContact CD2-CE2 3.95Å; L542-Y565 HydrophobicContact CD2-CG 4.19Å; Y545-Y565 HydrophobicContact CD1-CD2 4.13Å; Y545-Y565 HydrophobicContact CD1-CE2 4.49Å; Y545-Y565 HydrophobicContact CE1-CD2 4.09Å; Y545-Y565 AromaticContact CE1-CE2 3.99Å; Y545-Y565 HydrophobicContact CE1-CE2 3.99Å; Y545-Y565 HydrophobicContact CE2-CE2 4.39Å; Y545-Y565 HydrophobicContact CG-CD2 4.43Å; Y545-Y565 AromaticContact CZ-CE2 3.92Å; P560-Y565 HydrophobicContact CB-CD2 4.08Å; P560-Y565 HydrophobicContact CB-CE1 4.31Å; P560-Y565 HydrophobicContact CB-CE2 3.65Å; P560-Y565 VanDerWaalsContact CD-OH 3.24Å; P560-Y565 WeakPolarHBondContact CD-OH 3.4Å; P560-Y565 HydrophobicContact CG-CE1 4.05Å; P560-Y565 HydrophobicContact CG-CE2 3.83Å; P560-Y565 VanDerWaalsContact CG-CZ 3.48Å; P560-Y565 WeakPolarHBondContact CG-OH 3.34Å; T561-Y565 PolarHBondContact O-N 2.98Å; N562-Y565 PolarHBondContact O-N 3.41Å; T563-Y565 PolarHBondContact O-N 3.18Å; Y565-V567 VanDerWaalsContact C-N 3.28Å; Y565-V567 PolarHBondContact O-N 3.19Å; Y565-Q568 PolarHBondContact O-N 2.95Å; Y565-Q568 VanDerWaalsContact O-N 3.15Å; Y565-Y569 HydrophobicContact CD1-CE2 4.23Å; Y565-Y569 VanDerWaalsContact O-CD2 3.27Å; Y565-Y569 WeakPolarHBondContact O-CD2 3.49Å; Y565-Y569 PolarHBondContact O-N 3.49Å
566	V	97.6	Very high	93.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-40.2	-177.4	175.6	0	0	0	0	111.2	F525 F534 L538 L546 L551 N562 T563 A570	F525-V566 HydrophobicContact CE1-CB 4.14Å; F525-V566 HydrophobicContact CE1-CG1 3.6Å; F525-V566 HydrophobicContact CZ-CB 4.45Å; F525-V566 HydrophobicContact CZ-CG1 3.62Å; F534-V566 HydrophobicContact CD1-CG1 4.31Å; F534-V566 HydrophobicContact CD2-CG1 3.89Å; F534-V566 HydrophobicContact CE1-CG1 3.98Å; F534-V566 HydrophobicContact CE2-CG1 3.54Å; F534-V566 HydrophobicContact CG-CG1 4.28Å; F534-V566 HydrophobicContact CZ-CG1 3.6Å; L538-V566 HydrophobicContact CD1-CG2 4.44Å; L546-V566 HydrophobicContact CD2-CG2 3.78Å; L551-V566 HydrophobicContact CD1-CB 4.12Å; L551-V566 HydrophobicContact CD1-CG1 4.29Å; L551-V566 HydrophobicContact CD1-CG2 3.96Å; N562-V566 WeakPolarHBondContact O-CG2 3.43Å; N562-V566 PolarHBondContact O-N 2.93Å; T563-V566 PolarHBondContact O-N 2.63Å; V566-A570 WeakPolarHBondContact O-CB 3.38Å; V566-A570 PolarHBondContact O-N 2.82Å
567	V	98.4	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-40.7	175.4	170.6	0	0	0	0	112.5	V256 L282 F302 L306 F329 F525 T563 Y565 Y569 A570 L571	V256-V567 HydrophobicContact CB-CG1 4.19Å; V256-V567 HydrophobicContact CG1-CG1 4.22Å; V256-V567 HydrophobicContact CG2-CB 4.39Å; V256-V567 HydrophobicContact CG2-CG1 4.12Å; L282-V567 HydrophobicContact CD1-CB 4.28Å; L282-V567 HydrophobicContact CD1-CG1 4.35Å; L282-V567 HydrophobicContact CD1-CG2 3.64Å; L282-V567 HydrophobicContact CD2-CB 4.37Å; L282-V567 HydrophobicContact CD2-CG1 4.4Å; F302-V567 HydrophobicContact CD2-CG2 4.34Å; F302-V567 HydrophobicContact CE2-CG2 4.23Å; L306-V567 HydrophobicContact CD1-CG2 4.49Å; L306-V567 HydrophobicContact CD2-CG1 4.35Å; F329-V567 HydrophobicContact CD1-CG1 4.37Å; F329-V567 HydrophobicContact CD2-CG1 4.29Å; F329-V567 HydrophobicContact CG-CG1 4.14Å; F525-V567 HydrophobicContact CE1-CG2 4Å; F525-V567 HydrophobicContact CZ-CG2 3.66Å; T563-V567 HydrophobicContact CG2-CG2 4.48Å; T563-V567 WeakPolarHBondContact O-CB 3.4Å; T563-V567 WeakPolarHBondContact O-CG2 3.07Å; T563-V567 PolarHBondContact O-N 3.43Å; Y565-V567 VanDerWaalsContact C-N 3.28Å; Y565-V567 PolarHBondContact O-N 3.19Å; V567-Y569 PolarHBondContact O-N 2.98Å; V567-A570 PolarHBondContact O-N 2.8Å; V567-L571 WeakPolarHBondContact O-CB 3.27Å; V567-L571 PolarHBondContact O-N 3.02Å
568	Q	98.3	Very high	94.8	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-50.3	175.4	-172.4	-167.2	6.6	0	0	111.6	V256 T564 Y565 L571 A572 E601 A625 L627	V256-Q568 HydrophobicContact CG1-CB 4.13Å; V256-Q568 HydrophobicContact CG1-CG 4.46Å; V256-Q568 HydrophobicContact CG2-CB 4.34Å; T564-Q568 WeakPolarHBondContact O-CB 3.34Å; T564-Q568 PolarHBondContact O-N 2.94Å; Y565-Q568 PolarHBondContact O-N 2.95Å; Y565-Q568 VanDerWaalsContact O-N 3.15Å; Q568-L571 PolarHBondContact O-N 2.86Å; Q568-A572 WeakPolarHBondContact O-CB 3.15Å; Q568-A572 PolarHBondContact O-N 3.43Å; Q568-E601 PolarHBondContact NE2-OE1 2.83Å; Q568-A625 PolarHBondContact NE2-O 3.5Å; Q568-L627 HydrophobicContact CB-CD2 4.15Å; Q568-L627 HydrophobicContact CG-CD2 4.12Å; Q568-L627 HydrophobicContact CG-CG 4.46Å
569	Y	98.1	Very high	95.6	Very high	16 Å²	16	22.7 Å²	22.7	6%	0.063	13%	0.133	C	C	.	.	H	α-helix	trans	-75.7	-31.1	-177.1	-76.2	-86.1	0	0	0	112.9	I537 L538 R539 L542 Y565 V567 A572 N573 V605	I537-Y569 WeakPolarHBondContact O-CD1 3.05Å; L538-Y569 HydrophobicContact CD2-CD2 3.61Å; L538-Y569 HydrophobicContact CD2-CE2 4.48Å; L538-Y569 HydrophobicContact CD2-CG 3.74Å; R539-Y569 WeakPolarHBondContact CD-OH 3.24Å; R539-Y569 HydrophobicContact CG-CE1 3.83Å; L542-Y569 HydrophobicContact CD1-CD2 3.98Å; L542-Y569 HydrophobicContact CD1-CE2 3.25Å; Y565-Y569 HydrophobicContact CD1-CE2 4.23Å; Y565-Y569 VanDerWaalsContact O-CD2 3.27Å; Y565-Y569 WeakPolarHBondContact O-CD2 3.49Å; Y565-Y569 PolarHBondContact O-N 3.49Å; V567-Y569 PolarHBondContact O-N 2.98Å; Y569-A572 PolarHBondContact O-N 2.86Å; Y569-N573 WeakPolarHBondContact O-CB 3.22Å; Y569-N573 PolarHBondContact O-N 3.01Å; Y569-V605 HydrophobicContact CD1-CG1 4.09Å; Y569-V605 HydrophobicContact CE1-CG1 4.25Å
570	A	98.1	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-49.1	170.4	0	0	0	0	0	110	L521 I537 V566 V567 A572 N573 L574	L521-A570 HydrophobicContact CD2-CB 4.11Å; I537-A570 HydrophobicContact CD1-CB 4.1Å; V566-A570 WeakPolarHBondContact O-CB 3.38Å; V566-A570 PolarHBondContact O-N 2.82Å; V567-A570 PolarHBondContact O-N 2.8Å; A570-A572 VanDerWaalsContact C-N 3.31Å; A570-A572 PolarHBondContact O-N 3.37Å; A570-N573 PolarHBondContact O-N 2.91Å; A570-N573 VanDerWaalsContact O-N 3.15Å; A570-L574 WeakPolarHBondContact O-CB 3.46Å; A570-L574 WeakPolarHBondContact O-CG 3.21Å; A570-L574 PolarHBondContact O-N 2.55Å
571	L	98.4	Very high	96.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-40.8	175.8	-175	62.6	0	0	0	111.8	V256 S258 L306 A309 F329 V567 Q568 N573 L574 T575 A625	V256-L571 HydrophobicContact CG1-CD2 3.87Å; S258-L571 VanDerWaalsContact CB-CD2 3.48Å; L306-L571 HydrophobicContact CD2-CB 3.86Å; L306-L571 HydrophobicContact CD2-CD1 3.87Å; L306-L571 HydrophobicContact CD2-CG 4.39Å; A309-L571 HydrophobicContact CB-CD1 4.08Å; F329-L571 HydrophobicContact CD2-CD2 4.26Å; F329-L571 HydrophobicContact CE2-CD1 4.25Å; F329-L571 HydrophobicContact CE2-CD2 3.73Å; V567-L571 WeakPolarHBondContact O-CB 3.27Å; V567-L571 PolarHBondContact O-N 3.02Å; Q568-L571 PolarHBondContact O-N 2.86Å; L571-N573 VanDerWaalsContact C-N 3.33Å; L571-N573 PolarHBondContact O-N 3.28Å; L571-L574 PolarHBondContact O-N 3.32Å; L571-T575 HydrophobicContact CD1-CG2 3.72Å; L571-T575 WeakPolarHBondContact O-CB 3.23Å; L571-T575 PolarHBondContact O-N 3.09Å; L571-T575 PolarHBondContact O-OG1 3.11Å; L571-A625 HydrophobicContact CB-CB 4.14Å; L571-A625 HydrophobicContact CD2-CB 4Å; L571-A625 HydrophobicContact CG-CB 3.93Å
572	A	97.9	Very high	96.6	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-38	175.7	0	0	0	0	0	112.6	Q568 Y569 A570 G576 V621 S623 A625	Q568-A572 WeakPolarHBondContact O-CB 3.15Å; Q568-A572 PolarHBondContact O-N 3.43Å; Y569-A572 PolarHBondContact O-N 2.86Å; A570-A572 VanDerWaalsContact C-N 3.31Å; A570-A572 PolarHBondContact O-N 3.37Å; A572-G576 WeakPolarHBondContact O-CA 3.41Å; A572-G576 PolarHBondContact O-N 2.81Å; A572-V621 WeakPolarHBondContact O-CG1 3.1Å; A572-S623 WeakPolarHBondContact CB-OG 3.49Å; A572-A625 HydrophobicContact CB-CB 4.02Å
573	N	97.8	Very high	96.6	Very high	63 Å²	63	35.7 Å²	35.7	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-71.6	-39.4	175.2	-172.4	28.9	0	0	0	112.3	I537 Y569 A570 L571	I537-N573 HydrophobicContact CB-CB 4.45Å; I537-N573 HydrophobicContact CG2-CB 3.85Å; I537-N573 WeakPolarHBondContact CG2-ND2 3.26Å; Y569-N573 WeakPolarHBondContact O-CB 3.22Å; Y569-N573 PolarHBondContact O-N 3.01Å; A570-N573 PolarHBondContact O-N 2.91Å; A570-N573 VanDerWaalsContact O-N 3.15Å; L571-N573 VanDerWaalsContact C-N 3.33Å; L571-N573 PolarHBondContact O-N 3.28Å
574	L	97.6	Very high	96.5	Very high	18 Å²	18	41 Å²	41	9%	0.094	21%	0.213	C	C	.	.	H	α-helix	trans	-75.4	-34.3	-176.3	-66.6	171.5	0	0	0	113.3	L306 E310 T517 L521 A570 L571	L306-L574 HydrophobicContact CB-CD1 4.05Å; L306-L574 HydrophobicContact CD2-CD1 4.4Å; E310-L574 HydrophobicContact CB-CB 4.08Å; E310-L574 HydrophobicContact CB-CD2 4.07Å; E310-L574 HydrophobicContact CB-CG 4.5Å; E310-L574 HydrophobicContact CG-CB 4.28Å; E310-L574 HydrophobicContact CG-CD2 3.81Å; T517-L574 HydrophobicContact CG2-CD2 3.52Å; L521-L574 HydrophobicContact CD1-CD1 4.21Å; A570-L574 WeakPolarHBondContact O-CB 3.46Å; A570-L574 WeakPolarHBondContact O-CG 3.21Å; A570-L574 PolarHBondContact O-N 2.55Å; L571-L574 PolarHBondContact O-N 3.32Å
575	T	96.9	Very high	96.3	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-107.3	-19.4	-176.9	61.2	0	0	0	0	113.4	A309 Q313 L571	A309-T575 HydrophobicContact CB-CG2 3.87Å; Q313-T575 VanDerWaalsContact CD-O 3.28Å; Q313-T575 WeakPolarHBondContact CG-O 3.36Å; Q313-T575 PolarHBondContact NE2-O 2.8Å; L571-T575 HydrophobicContact CD1-CG2 3.72Å; L571-T575 WeakPolarHBondContact O-CB 3.23Å; L571-T575 PolarHBondContact O-N 3.09Å; L571-T575 PolarHBondContact O-OG1 3.11Å
576	G	95.8	Very high	96.2	Very high	18 Å²	18	42.7 Å²	42.7	19%	0.186	22%	0.224	C	C	.	.			trans	-86.2	-179.9	-176.8	0	0	0	0	0	114	A572 R622	A572-G576 WeakPolarHBondContact O-CA 3.41Å; A572-G576 PolarHBondContact O-N 2.81Å; G576-R622 CarbonylContact C-O 3.6Å; G576-R622 WeakPolarHBondContact CA-O 3.46Å
577	T	96.3	Very high	96	Very high	60 Å²	60	49.2 Å²	49.2	37%	0.368	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.5	177.9	55	0	0	0	0	109.7	R622	T577-R622 PolarHBondContact N-O 2.86Å; T577-R622 PolarHBondContact O-N 2.98Å; T577-R622 PolarHBondContact OG1-NE 2.94Å; T577-R622 PolarHBondContact OG1-NH2 3.36Å
578	V	96.4	Very high	95.6	Very high	83 Å²	83	51.4 Å²	51.4	50%	0.503	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.5	173.3	179.9	0	0	0	0	108.9	R619 V621	V578-R619 HydrophobicContact CG1-CB 4.01Å; V578-R619 HydrophobicContact CG1-CG 4.24Å; V578-V621 HydrophobicContact CG2-CG2 4.44Å
579	V	95.4	Very high	95.3	Very high	23 Å²	23	51.1 Å²	51.1	14%	0.139	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.1	179	-66.1	0	0	0	0	110.8	L581 Y602 C620 R622	V579-L581 VanDerWaalsContact C-N 3.28Å; V579-L581 HydrophobicContact CB-CD1 4.5Å; V579-L581 HydrophobicContact CB-CG 4.32Å; V579-L581 HydrophobicContact CG2-CD1 3.67Å; V579-L581 HydrophobicContact CG2-CG 3.84Å; V579-L581 PolarHBondContact O-N 3.27Å; V579-Y602 HydrophobicContact CG2-CD1 4.41Å; V579-C620 HydrophobicContact CG2-CB 3.87Å; V579-C620 PolarHBondContact N-O 3.43Å; V579-R622 HydrophobicContact CG1-CB 3.8Å; V579-R622 HydrophobicContact CG2-CB 4.16Å
580	N	93.9	Very high	94.9	Very high	167 Å²	167	54 Å²	54	89%	0.893	29%	0.287	S	S	*	.			trans	-83.2	72.1	-178.3	-170.1	18.7	0	0	0	111
581	L	94.1	Very high	94.5	Very high	20 Å²	20	61.6 Å²	61.6	11%	0.105	32%	0.32	C	S	.	.			trans	-115.8	150.7	177	-62	179.1	0	0	0	110.1	V579 Q585 V592 E595 Y602 W604 C620	V579-L581 VanDerWaalsContact C-N 3.28Å; V579-L581 HydrophobicContact CB-CD1 4.5Å; V579-L581 HydrophobicContact CB-CG 4.32Å; V579-L581 HydrophobicContact CG2-CD1 3.67Å; V579-L581 HydrophobicContact CG2-CG 3.84Å; V579-L581 PolarHBondContact O-N 3.27Å; L581-Q585 HydrophobicContact CB-CB 4.03Å; L581-Q585 HydrophobicContact CD2-CB 4.3Å; L581-V592 HydrophobicContact CD2-CG1 4.32Å; L581-V592 HydrophobicContact CD2-CG2 4.36Å; L581-E595 HydrophobicContact CD1-CG 4.12Å; L581-E595 HydrophobicContact CD2-CG 4.43Å; L581-Y602 HydrophobicContact CD1-CD1 4.09Å; L581-Y602 HydrophobicContact CD1-CE1 4.3Å; L581-W604 WeakPolarHBondContact O-CZ3 3.45Å; L581-C620 HydrophobicContact CB-CB 4.1Å
582	T	94.3	Very high	94.2	Very high	69 Å²	69	62.5 Å²	62.5	42%	0.423	33%	0.326	S	S	.	.			trans	-73.7	167.7	167.1	75.1	0	0	0	0	110.8	E584 Q585 C586	T582-E584 VanDerWaalsContact C-N 3.26Å; T582-E584 PolarHBondContact O-N 3.49Å; T582-E584 PolarHBondContact OG1-OE2 3.44Å; T582-Q585 PolarHBondContact O-N 3.12Å; T582-Q585 PolarHBondContact OG1-N 3Å; T582-C586 WeakPolarHBondContact O-CB 3.5Å; T582-C586 PolarHBondContact O-N 3.44Å
583	R	93.8	Very high	93.7	Very high	149 Å²	149	68.9 Å²	68.9	56%	0.562	37%	0.367	S	S	*	.	H	α-helix	trans	-57.2	-41.8	176.7	-175.3	-177.9	65	162.1	0.8	112.1	C586 Q587 W604	R583-C586 PolarHBondContact O-N 2.96Å; R583-Q587 WeakPolarHBondContact O-CB 3.26Å; R583-Q587 PolarHBondContact O-N 3.29Å; R583-W604 HydrophobicContact CB-CD2 3.94Å; R583-W604 HydrophobicContact CB-CE3 4.25Å; R583-W604 HydrophobicContact CB-CG 4.47Å; R583-W604 HydrophobicContact CB-CH2 4.27Å; R583-W604 HydrophobicContact CB-CZ2 3.95Å; R583-W604 HydrophobicContact CB-CZ3 4.41Å; R583-W604 HydrophobicContact CG-CD2 3.98Å; R583-W604 HydrophobicContact CG-CG 3.99Å
584	E	93.6	Very high	93.3	Very high	111 Å²	111	70.3 Å²	70.3	52%	0.519	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-38.5	-178.6	-63.7	66.8	-143.7	0	0	111.4	T582 D588	T582-E584 VanDerWaalsContact C-N 3.26Å; T582-E584 PolarHBondContact O-N 3.49Å; T582-E584 PolarHBondContact OG1-OE2 3.44Å; E584-D588 PolarHBondContact O-N 2.97Å; E584-D588 VanDerWaalsContact O-N 3.15Å
585	Q	94	Very high	92.9	Very high	74 Å²	74	71.3 Å²	71.3	35%	0.346	39%	0.386	S	S	.	.	H	α-helix	trans	-70	-38.7	174.2	-70.5	173.3	-23.1	0	0	112	L581 T582 Q587 D588 P589 V592	L581-Q585 HydrophobicContact CB-CB 4.03Å; L581-Q585 HydrophobicContact CD2-CB 4.3Å; T582-Q585 PolarHBondContact O-N 3.12Å; T582-Q585 PolarHBondContact OG1-N 3Å; Q585-Q587 VanDerWaalsContact C-N 3.29Å; Q585-Q587 PolarHBondContact O-N 3.27Å; Q585-D588 CarbonylContact O-C 3.3Å; Q585-D588 PolarHBondContact O-N 3.24Å; Q585-P589 WeakPolarHBondContact O-CA 3.42Å; Q585-V592 HydrophobicContact CB-CG2 3.89Å; Q585-V592 HydrophobicContact CG-CG2 3.83Å
586	C	93.3	Very high	92.7	Very high	5 Å²	5	74.4 Å²	74.4	3%	0.034	40%	0.402	C	S	.	.	H	α-helix	trans	-65.4	-34.6	176.2	-162.5	0	0	0	0	111.9	T582 R583 S603 W604 C620	T582-C586 WeakPolarHBondContact O-CB 3.5Å; T582-C586 PolarHBondContact O-N 3.44Å; R583-C586 PolarHBondContact O-N 2.96Å; C586-S603 VanDerWaalsContact SG-C 3.56Å; C586-W604 HydrophobicContact CB-CB 4.49Å; C586-W604 HydrophobicContact CB-CE3 3.87Å; C586-C620 HydrophobicContact CB-CB 3.72Å; C586-C620 WeakPolarHBondContact CB-SG 3.48Å; C586-C620 WeakPolarHBondContact SG-CB 3.48Å; C586-C620 CovalentContact SG-SG 2.04Å; C586-C620 PolarHBondContact SG-SG 2.04Å
587	Q	92.7	Very high	92.4	Very high	137 Å²	137	78.6 Å²	78.6	64%	0.64	42%	0.415	S	S	*	.	H	α-helix	trans	-73.2	-35.8	177.5	-172.8	63.9	36.8	0	0	112.7	R583 Q585	R583-Q587 WeakPolarHBondContact O-CB 3.26Å; R583-Q587 PolarHBondContact O-N 3.29Å; Q585-Q587 VanDerWaalsContact C-N 3.29Å; Q585-Q587 PolarHBondContact O-N 3.27Å
588	D	91.9	Very high	92.1	Very high	46 Å²	46	79.5 Å²	79.5	25%	0.246	42%	0.418	C	S	.	.			trans	-131.2	74.5	177.1	-169.5	10.1	0	0	0	111.5	E584 Q585 S590 K591	E584-D588 PolarHBondContact O-N 2.97Å; E584-D588 VanDerWaalsContact O-N 3.15Å; Q585-D588 CarbonylContact O-C 3.3Å; Q585-D588 PolarHBondContact O-N 3.24Å; D588-S590 PolarHBondContact O-N 3.42Å; D588-S590 VanDerWaalsContact O-N 3.14Å; D588-S590 WeakPolarHBondContact OD1-CB 3.31Å; D588-S590 PolarHBondContact OD1-OG 2.83Å; D588-K591 HydrophobicContact CB-CD 4.42Å; D588-K591 PolarHBondContact O-N 3.34Å; D588-K591 WeakPolarHBondContact OD2-CD 3.36Å; D588-K591 WeakPolarHBondContact OD2-CE 3.28Å; D588-K591 IonicContact OD2-NZ 3.38Å; D588-K591 PolarHBondContact OD2-NZ 2.99Å
589	P	90.2	Very high	92	Very high	4 Å²	4	78 Å²	78	3%	0.026	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-65.8	-17.6	-176.6	25.8	-34.3	0	0	0	112.3	Q585 K591 V592 E595 K597 Y602	Q585-P589 WeakPolarHBondContact O-CA 3.42Å; P589-K591 PolarHBondContact O-N 3.47Å; P589-K591 VanDerWaalsContact O-N 3.08Å; P589-V592 PolarHBondContact O-N 3.41Å; P589-E595 HydrophobicContact CB-CB 4.28Å; P589-K597 HydrophobicContact CG-CB 4.01Å; P589-K597 HydrophobicContact CG-CD 4.1Å; P589-K597 HydrophobicContact CG-CG 4Å; P589-Y602 HydrophobicContact CB-CD1 4.44Å; P589-Y602 HydrophobicContact CB-CD2 3.8Å; P589-Y602 HydrophobicContact CB-CE2 3.9Å; P589-Y602 HydrophobicContact CB-CG 4.09Å; P589-Y602 HydrophobicContact CG-CD2 3.55Å; P589-Y602 HydrophobicContact CG-CE2 3.97Å; P589-Y602 HydrophobicContact CG-CG 4.08Å
590	S	90.1	Very high	92	Very high	78 Å²	78	79.4 Å²	79.4	55%	0.545	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-59.3	-19.7	175.3	-11.6	0	0	0	0	113.4	D588 V592	D588-S590 PolarHBondContact O-N 3.42Å; D588-S590 VanDerWaalsContact O-N 3.14Å; D588-S590 WeakPolarHBondContact OD1-CB 3.31Å; D588-S590 PolarHBondContact OD1-OG 2.83Å; S590-V592 VanDerWaalsContact C-N 3.35Å
591	K	89.8	Confident	92.1	Very high	159 Å²	159	74.2 Å²	74.2	69%	0.691	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-81.8	-12.7	174.7	-70.9	176.6	174	129.5	0	113.6	D588 P589	D588-K591 HydrophobicContact CB-CD 4.42Å; D588-K591 PolarHBondContact O-N 3.34Å; D588-K591 WeakPolarHBondContact OD2-CD 3.36Å; D588-K591 WeakPolarHBondContact OD2-CE 3.28Å; D588-K591 IonicContact OD2-NZ 3.38Å; D588-K591 PolarHBondContact OD2-NZ 2.99Å; P589-K591 PolarHBondContact O-N 3.47Å; P589-K591 VanDerWaalsContact O-N 3.08Å
592	V	91.7	Very high	92.2	Very high	18 Å²	18	74.5 Å²	74.5	11%	0.109	38%	0.38	C	S	.	.	S	Bend	trans	-101.7	115.6	-177.4	-176	0	0	0	0	108.8	L581 Q585 P589 S590 S594 E595	L581-V592 HydrophobicContact CD2-CG1 4.32Å; L581-V592 HydrophobicContact CD2-CG2 4.36Å; Q585-V592 HydrophobicContact CB-CG2 3.89Å; Q585-V592 HydrophobicContact CG-CG2 3.83Å; P589-V592 PolarHBondContact O-N 3.41Å; S590-V592 VanDerWaalsContact C-N 3.35Å; V592-S594 WeakPolarHBondContact CG1-OG 3.49Å; V592-S594 PolarHBondContact O-N 3.07Å; V592-S594 VanDerWaalsContact O-N 3.14Å; V592-E595 HydrophobicContact CB-CB 4.25Å; V592-E595 HydrophobicContact CB-CG 4.21Å; V592-E595 HydrophobicContact CG1-CB 4.37Å; V592-E595 HydrophobicContact CG1-CG 3.89Å; V592-E595 PolarHBondContact O-N 3.27Å
593	P	88.5	Confident	92.3	Very high	138 Å²	138	71.6 Å²	71.6	90%	0.896	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.8	-174.6	-25.5	34.3	0	0	0	115.2
594	S	88	Confident	92.4	Very high	93 Å²	93	67.8 Å²	67.8	65%	0.65	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.3	-179.3	60.9	0	0	0	0	113.9	V592	V592-S594 WeakPolarHBondContact CG1-OG 3.49Å; V592-S594 PolarHBondContact O-N 3.07Å; V592-S594 VanDerWaalsContact O-N 3.14Å
595	E	90.8	Very high	92.5	Very high	40 Å²	40	62.9 Å²	62.9	19%	0.187	33%	0.326	C	S	.	.			trans	-108.4	137.6	-171	-60.9	-52.6	139.1	0	0	111	L581 P589 V592 Y602 R622	L581-E595 HydrophobicContact CD1-CG 4.12Å; L581-E595 HydrophobicContact CD2-CG 4.43Å; P589-E595 HydrophobicContact CB-CB 4.28Å; V592-E595 HydrophobicContact CB-CB 4.25Å; V592-E595 HydrophobicContact CB-CG 4.21Å; V592-E595 HydrophobicContact CG1-CB 4.37Å; V592-E595 HydrophobicContact CG1-CG 3.89Å; V592-E595 PolarHBondContact O-N 3.27Å; E595-Y602 HydrophobicContact CB-CE1 4.1Å; E595-Y602 HydrophobicContact CG-CE1 4.11Å; E595-Y602 VanDerWaalsContact OE2-CE1 3.26Å; E595-Y602 WeakPolarHBondContact OE2-CE1 3.38Å; E595-Y602 PolarHBondContact OE2-OH 3.23Å; E595-R622 WeakPolarHBondContact OE2-CD 3.22Å
596	N	91.3	Very high	92.5	Very high	71 Å²	71	60.2 Å²	60.2	38%	0.38	31%	0.314	S	S	.	.			trans	-116.5	115.3	-179.8	-165.5	-37.3	0	0	0	111.1	D598 L599 Y600 Y602	N596-D598 WeakPolarHBondContact OD1-CB 3.29Å; N596-D598 PolarHBondContact OD1-N 3Å; N596-L599 HydrophobicContact CB-CB 4.46Å; N596-L599 HydrophobicContact CB-CD1 3.88Å; N596-L599 WeakPolarHBondContact ND2-CD1 3.37Å; N596-Y600 PolarHBondContact O-N 2.98Å; N596-Y602 PolarHBondContact N-OH 3.23Å; N596-Y602 PolarHBondContact O-OH 2.97Å
597	K	90.6	Very high	92.5	Very high	105 Å²	105	60 Å²	60	46%	0.457	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-27.3	179.8	-169.6	175	176.1	172.8	0	113.6	P589 L599	P589-K597 HydrophobicContact CG-CB 4.01Å; P589-K597 HydrophobicContact CG-CD 4.1Å; P589-K597 HydrophobicContact CG-CG 4Å; K597-L599 VanDerWaalsContact C-N 3.35Å
598	D	90	Very high	92.5	Very high	79 Å²	79	56.1 Å²	56.1	42%	0.422	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-30.8	-178.3	-66.1	-22	0	0	0	111	T265 N596 R626	T265-D598 PolarHBondContact OG1-O 2.88Å; T265-D598 VanDerWaalsContact OG1-O 3.12Å; N596-D598 WeakPolarHBondContact OD1-CB 3.29Å; N596-D598 PolarHBondContact OD1-N 3Å; D598-R626 PolarHBondContact O-NH2 2.82Å
599	L	93.4	Very high	92.5	Very high	52 Å²	52	58.5 Å²	58.5	27%	0.272	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-39.8	177.3	-78.5	110	0	0	0	113.5	P262 N596 K597 R626	P262-L599 HydrophobicContact CB-CB 4.1Å; P262-L599 HydrophobicContact CB-CD2 3.85Å; P262-L599 HydrophobicContact CG-CD2 3.89Å; N596-L599 HydrophobicContact CB-CB 4.46Å; N596-L599 HydrophobicContact CB-CD1 3.88Å; N596-L599 WeakPolarHBondContact ND2-CD1 3.37Å; K597-L599 VanDerWaalsContact C-N 3.35Å; L599-R626 PolarHBondContact O-NH2 3.04Å; L599-R626 VanDerWaalsContact O-NH2 3.14Å
600	Y	95.7	Very high	92.4	Very high	53 Å²	53	60.8 Å²	60.8	21%	0.208	32%	0.323	C	S	.	.			trans	-123.5	153	-172.2	-61.1	-83.4	0	0	0	113	P262 N596 R622 T624	P262-Y600 HydrophobicContact CB-CD1 4.25Å; P262-Y600 HydrophobicContact CB-CE1 3.69Å; P262-Y600 HydrophobicContact CB-CE2 4.14Å; P262-Y600 HydrophobicContact CG-CE1 4.01Å; P262-Y600 HydrophobicContact CG-CE2 4.2Å; P262-Y600 WeakPolarHBondContact CG-OH 3.44Å; N596-Y600 PolarHBondContact O-N 2.98Å; Y600-R622 HydrophobicContact CD1-CG 3.92Å; Y600-R622 HydrophobicContact CD2-CG 4.43Å; Y600-R622 VanDerWaalsContact CE1-NH1 3.3Å; Y600-R622 HydrophobicContact CG-CG 3.79Å; Y600-R622 PolarHBondContact OH-NH1 2.98Å; Y600-T624 HydrophobicContact CD1-CG2 3.92Å; Y600-T624 HydrophobicContact CE1-CG2 4.1Å
601	E	95.7	Very high	91.9	Very high	58 Å²	58	61.8 Å²	61.8	27%	0.271	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.3	166.6	-170.8	165.7	165.4	0	0	109.7	Q568 S623 R626	Q568-E601 PolarHBondContact NE2-OE1 2.83Å; E601-S623 PolarHBondContact N-O 3.15Å; E601-S623 PolarHBondContact O-N 3.2Å; E601-R626 HydrophobicContact CB-CG 4.34Å; E601-R626 WeakPolarHBondContact OE2-CA 3.44Å; E601-R626 WeakPolarHBondContact OE2-CB 3.47Å; E601-R626 VanDerWaalsContact OE2-CG 3.24Å; E601-R626 WeakPolarHBondContact OE2-CG 3.45Å
602	Y	96.3	Very high	91.4	Very high	25 Å²	25	62.4 Å²	62.4	10%	0.098	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.9	-179.4	-61.8	-99.1	0	0	0	108.6	V579 L581 P589 E595 N596 V621 R622	V579-Y602 HydrophobicContact CG2-CD1 4.41Å; L581-Y602 HydrophobicContact CD1-CD1 4.09Å; L581-Y602 HydrophobicContact CD1-CE1 4.3Å; P589-Y602 HydrophobicContact CB-CD1 4.44Å; P589-Y602 HydrophobicContact CB-CD2 3.8Å; P589-Y602 HydrophobicContact CB-CE2 3.9Å; P589-Y602 HydrophobicContact CB-CG 4.09Å; P589-Y602 HydrophobicContact CG-CD2 3.55Å; P589-Y602 HydrophobicContact CG-CE2 3.97Å; P589-Y602 HydrophobicContact CG-CG 4.08Å; E595-Y602 HydrophobicContact CB-CE1 4.1Å; E595-Y602 HydrophobicContact CG-CE1 4.11Å; E595-Y602 VanDerWaalsContact OE2-CE1 3.26Å; E595-Y602 WeakPolarHBondContact OE2-CE1 3.38Å; E595-Y602 PolarHBondContact OE2-OH 3.23Å; N596-Y602 PolarHBondContact N-OH 3.23Å; N596-Y602 PolarHBondContact O-OH 2.97Å; Y602-V621 WeakPolarHBondContact CA-O 3.5Å; Y602-R622 HydrophobicContact CD1-CB 3.99Å; Y602-R622 HydrophobicContact CD1-CG 4.14Å; Y602-R622 HydrophobicContact CE1-CB 3.79Å; Y602-R622 HydrophobicContact CE1-CG 3.53Å
603	S	95.9	Very high	91	Very high	8 Å²	8	66.4 Å²	66.4	6%	0.056	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.4	-178.9	62.2	0	0	0	0	111.3	C586 V605 V621	C586-S603 VanDerWaalsContact SG-C 3.56Å; S603-V605 PolarHBondContact O-N 3.24Å; S603-V621 PolarHBondContact N-O 3.29Å; S603-V621 PolarHBondContact O-N 3.01Å
604	W	96.6	Very high	90.8	Very high	70 Å²	70	66 Å²	66	27%	0.265	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	97.2	174.7	-172.5	-99.6	0	0	0	110.6	R539 L581 R583 C586 P618 C620	R539-W604 WeakPolarHBondContact CG-O 3.43Å; L581-W604 WeakPolarHBondContact O-CZ3 3.45Å; R583-W604 HydrophobicContact CB-CD2 3.94Å; R583-W604 HydrophobicContact CB-CE3 4.25Å; R583-W604 HydrophobicContact CB-CG 4.47Å; R583-W604 HydrophobicContact CB-CH2 4.27Å; R583-W604 HydrophobicContact CB-CZ2 3.95Å; R583-W604 HydrophobicContact CB-CZ3 4.41Å; R583-W604 HydrophobicContact CG-CD2 3.98Å; R583-W604 HydrophobicContact CG-CG 3.99Å; C586-W604 HydrophobicContact CB-CB 4.49Å; C586-W604 HydrophobicContact CB-CE3 3.87Å; W604-P618 HydrophobicContact CZ2-CB 3.69Å; W604-P618 HydrophobicContact CZ2-CG 3.75Å; W604-C620 HydrophobicContact CE3-CB 3.94Å; W604-C620 HydrophobicContact CZ3-CB 4.14Å
605	V	96.6	Very high	90.8	Very high	8 Å²	8	66.5 Å²	66.5	5%	0.048	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	157	-174.4	-55	0	0	0	0	111.7	I537 Y569 S603 G607 P618 R619 V621	I537-V605 WeakPolarHBondContact O-CB 3.48Å; I537-V605 WeakPolarHBondContact O-CG1 3.38Å; Y569-V605 HydrophobicContact CD1-CG1 4.09Å; Y569-V605 HydrophobicContact CE1-CG1 4.25Å; S603-V605 PolarHBondContact O-N 3.24Å; V605-G607 VanDerWaalsContact C-N 3.33Å; V605-G607 PolarHBondContact O-N 2.87Å; V605-P618 WeakPolarHBondContact O-CA 3.43Å; V605-P618 VanDerWaalsContact O-CB 3.31Å; V605-P618 WeakPolarHBondContact O-CB 3.36Å; V605-R619 HydrophobicContact CG2-CG 3.65Å; V605-R619 WeakPolarHBondContact CG2-O 3.39Å; V605-R619 PolarHBondContact N-O 2.79Å; V605-R619 PolarHBondContact O-N 3.07Å; V605-R619 VanDerWaalsContact O-N 3.08Å; V605-V621 HydrophobicContact CG1-CG2 4.21Å; V605-V621 HydrophobicContact CG2-CG2 3.74Å
606	Q	93.6	Very high	90.7	Very high	18 Å²	18	67.1 Å²	67.1	8%	0.084	35%	0.35	C	S	.	.			trans	-64.5	-33.9	-176.4	-71.8	179.3	39.8	0	0	113.6	Q535 L538 R539 Q540 R616 L617 P618	Q535-Q606 WeakPolarHBondContact O-CB 3.31Å; Q535-Q606 PolarHBondContact O-OE1 2.83Å; L538-Q606 WeakPolarHBondContact O-CB 3.21Å; L538-Q606 VanDerWaalsContact O-CG 3.29Å; L538-Q606 WeakPolarHBondContact O-CG 2.96Å; L538-Q606 PolarHBondContact O-N 3.49Å; R539-Q606 PolarHBondContact O-NE2 2.82Å; Q540-Q606 HydrophobicContact CB-CG 4.37Å; Q606-R616 WeakPolarHBondContact O-CB 3.47Å; Q606-L617 CarbonylContact O-C 3.37Å; Q606-L617 VanDerWaalsContact O-C 3.3Å; Q606-P618 WeakPolarHBondContact O-CA 3.29Å; Q606-P618 VanDerWaalsContact O-N 3.16Å
607	G	92.9	Very high	90.7	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.01	35%	0.352	C	S	.	.			trans	71.9	176.5	-175.2	0	0	0	0	0	114.3	S536 V605 R616 L617	S536-G607 VanDerWaalsContact CA-O 3.3Å; S536-G607 WeakPolarHBondContact CA-O 3.36Å; S536-G607 VanDerWaalsContact CB-C 3.48Å; S536-G607 WeakPolarHBondContact CB-O 3.21Å; S536-G607 VanDerWaalsContact O-CA 3.23Å; S536-G607 WeakPolarHBondContact O-CA 3.34Å; S536-G607 PolarHBondContact O-N 3.28Å; V605-G607 VanDerWaalsContact C-N 3.33Å; V605-G607 PolarHBondContact O-N 2.87Å; G607-R616 PolarHBondContact O-NH1 2.83Å; G607-L617 WeakPolarHBondContact CA-O 3.36Å
608	P	92.7	Very high	90.9	Very high	54 Å²	54	65.8 Å²	65.8	35%	0.351	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.1	159.5	-178.5	29.6	-34.9	0	0	0	111.4	R616 L617	P608-R616 WeakPolarHBondContact O-CA 3.45Å; P608-L617 PolarHBondContact O-N 2.96Å
609	L	91.8	Very high	91.1	Very high	96 Å²	96	66.2 Å²	66.2	50%	0.503	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-69.7	138.5	172.1	-166.4	68.9	0	0	0	109.7	T614 R616	L609-T614 WeakPolarHBondContact CD1-O 3.45Å; L609-R616 HydrophobicContact CD1-CG 4.02Å
610	N	87.9	Confident	91.3	Very high	53 Å²	53	63.8 Å²	63.8	28%	0.283	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-71	142.2	174.9	-167.1	18.5	0	0	0	110.4	N612 E613 D615 L617	N610-N612 PolarHBondContact O-N 2.94Å; N610-N612 VanDerWaalsContact O-N 3.16Å; N610-E613 HydrophobicContact CB-CB 4.29Å; N610-E613 PolarHBondContact ND2-OE2 2.99Å; N610-E613 PolarHBondContact O-N 2.95Å; N610-D615 VanDerWaalsContact CB-O 3.27Å; N610-D615 WeakPolarHBondContact CB-O 3.27Å; N610-D615 PolarHBondContact N-O 3.5Å; N610-L617 HydrophobicContact CB-CG 4.49Å
611	S	80.5	Confident	91.4	Very high	99 Å²	99	61.6 Å²	61.6	69%	0.692	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	119.6	179.9	-61.1	0	0	0	0	109.8
612	N	78.4	Confident	91.4	Very high	171 Å²	171	61.6 Å²	61.6	91%	0.914	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	7.6	179	-46.7	-39.3	0	0	0	116.8	N610	N610-N612 PolarHBondContact O-N 2.94Å; N610-N612 VanDerWaalsContact O-N 3.16Å
613	E	84.8	Confident	91.5	Very high	103 Å²	103	60.6 Å²	60.6	48%	0.481	32%	0.32	S	S	.	.	S	Bend	trans	-127.5	161	175.4	-70.2	175.2	173.8	0	0	111.2	N610	N610-E613 HydrophobicContact CB-CB 4.29Å; N610-E613 PolarHBondContact ND2-OE2 2.99Å; N610-E613 PolarHBondContact O-N 2.95Å
614	T	83.6	Confident	91.6	Very high	130 Å²	130	61 Å²	61	80%	0.798	32%	0.322	S	S	*	.	S	Bend	trans	-82.7	-4.4	172.4	51.8	0	0	0	0	113.1	L609	L609-T614 WeakPolarHBondContact CD1-O 3.45Å
615	D	86.9	Confident	91.6	Very high	102 Å²	102	57.8 Å²	57.8	55%	0.545	31%	0.31	S	S	.	.			trans	-81.8	139.8	-176.1	-67.5	-24.3	0	0	0	110.9	N610	N610-D615 VanDerWaalsContact CB-O 3.27Å; N610-D615 WeakPolarHBondContact CB-O 3.27Å; N610-D615 PolarHBondContact N-O 3.5Å
616	R	89.3	Confident	91.6	Very high	53 Å²	53	59.3 Å²	59.3	20%	0.2	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-99	156.1	176	-66	-169.7	167.8	-94.6	-3.9	110.5	Q606 G607 P608 L609 P618	Q606-R616 WeakPolarHBondContact O-CB 3.47Å; G607-R616 PolarHBondContact O-NH1 2.83Å; P608-R616 WeakPolarHBondContact O-CA 3.45Å; L609-R616 HydrophobicContact CD1-CG 4.02Å; R616-P618 VanDerWaalsContact C-CD 3.47Å; R616-P618 WeakPolarHBondContact O-CD 3.06Å
617	L	91.8	Very high	91.8	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.435	32%	0.323	S	S	.	.			trans	-101.8	82	179.1	-62.9	176.6	0	0	0	110.9	Q606 G607 P608 N610	Q606-L617 CarbonylContact O-C 3.37Å; Q606-L617 VanDerWaalsContact O-C 3.3Å; G607-L617 WeakPolarHBondContact CA-O 3.36Å; P608-L617 PolarHBondContact O-N 2.96Å; N610-L617 HydrophobicContact CB-CG 4.49Å
618	P	94.3	Very high	92	Very high	65 Å²	65	61.3 Å²	61.3	42%	0.422	33%	0.328	S	S	.	.			trans	-66.6	149.4	-176.1	31.2	-38.7	0	0	0	111.5	W604 V605 Q606 R616	W604-P618 HydrophobicContact CZ2-CB 3.69Å; W604-P618 HydrophobicContact CZ2-CG 3.75Å; V605-P618 WeakPolarHBondContact O-CA 3.43Å; V605-P618 VanDerWaalsContact O-CB 3.31Å; V605-P618 WeakPolarHBondContact O-CB 3.36Å; Q606-P618 WeakPolarHBondContact O-CA 3.29Å; Q606-P618 VanDerWaalsContact O-N 3.16Å; R616-P618 VanDerWaalsContact C-CD 3.47Å; R616-P618 WeakPolarHBondContact O-CD 3.06Å
619	R	95.6	Very high	92.2	Very high	89 Å²	89	62.4 Å²	62.4	34%	0.336	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155	-175.2	61	-171.2	67.6	-172.1	-2.1	111.3	V578 V605	V578-R619 HydrophobicContact CG1-CB 4.01Å; V578-R619 HydrophobicContact CG1-CG 4.24Å; V605-R619 HydrophobicContact CG2-CG 3.65Å; V605-R619 WeakPolarHBondContact CG2-O 3.39Å; V605-R619 PolarHBondContact N-O 2.79Å; V605-R619 PolarHBondContact O-N 3.07Å; V605-R619 VanDerWaalsContact O-N 3.08Å
620	C	96.6	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.4	172.6	-166.9	0	0	0	0	109.8	V579 L581 C586 W604	V579-C620 HydrophobicContact CG2-CB 3.87Å; V579-C620 PolarHBondContact N-O 3.43Å; L581-C620 HydrophobicContact CB-CB 4.1Å; C586-C620 HydrophobicContact CB-CB 3.72Å; C586-C620 WeakPolarHBondContact CB-SG 3.48Å; C586-C620 WeakPolarHBondContact SG-CB 3.48Å; C586-C620 CovalentContact SG-SG 2.04Å; C586-C620 PolarHBondContact SG-SG 2.04Å; W604-C620 HydrophobicContact CE3-CB 3.94Å; W604-C620 HydrophobicContact CZ3-CB 4.14Å
621	V	97.3	Very high	92.9	Very high	8 Å²	8	57.1 Å²	57.1	5%	0.048	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124	174	179.9	0	0	0	0	108.3	A572 V578 Y602 S603 V605	A572-V621 WeakPolarHBondContact O-CG1 3.1Å; V578-V621 HydrophobicContact CG2-CG2 4.44Å; Y602-V621 WeakPolarHBondContact CA-O 3.5Å; S603-V621 PolarHBondContact N-O 3.29Å; S603-V621 PolarHBondContact O-N 3.01Å; V605-V621 HydrophobicContact CG1-CG2 4.21Å; V605-V621 HydrophobicContact CG2-CG2 3.74Å
622	R	96.9	Very high	93.7	Very high	57 Å²	57	52.4 Å²	52.4	22%	0.215	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.2	173.3	179.5	-174.1	68.3	106.1	10	108.4	G576 T577 V579 E595 Y600 Y602	G576-R622 CarbonylContact C-O 3.6Å; G576-R622 WeakPolarHBondContact CA-O 3.46Å; T577-R622 PolarHBondContact N-O 2.86Å; T577-R622 PolarHBondContact O-N 2.98Å; T577-R622 PolarHBondContact OG1-NE 2.94Å; T577-R622 PolarHBondContact OG1-NH2 3.36Å; V579-R622 HydrophobicContact CG1-CB 3.8Å; V579-R622 HydrophobicContact CG2-CB 4.16Å; E595-R622 WeakPolarHBondContact OE2-CD 3.22Å; Y600-R622 HydrophobicContact CD1-CG 3.92Å; Y600-R622 HydrophobicContact CD2-CG 4.43Å; Y600-R622 VanDerWaalsContact CE1-NH1 3.3Å; Y600-R622 HydrophobicContact CG-CG 3.79Å; Y600-R622 PolarHBondContact OH-NH1 2.98Å; Y602-R622 HydrophobicContact CD1-CB 3.99Å; Y602-R622 HydrophobicContact CD1-CG 4.14Å; Y602-R622 HydrophobicContact CE1-CB 3.79Å; Y602-R622 HydrophobicContact CE1-CG 3.53Å
623	S	97.1	Very high	94.7	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	175.9	-179.1	76.9	0	0	0	0	111.8	A572 E601 A625	A572-S623 WeakPolarHBondContact CB-OG 3.49Å; E601-S623 PolarHBondContact N-O 3.15Å; E601-S623 PolarHBondContact O-N 3.2Å; S623-A625 PolarHBondContact OG-N 2.92Å
624	T	97.4	Very high	95.2	Very high	17 Å²	17	39.3 Å²	39.3	10%	0.104	20%	0.197	C	C	.	.			trans	-105.4	7.6	172.2	48.2	0	0	0	0	112	S258 M259 P262 Y600 R626	S258-T624 WeakPolarHBondContact CA-O 3.45Å; S258-T624 PolarHBondContact OG-OG1 3.33Å; M259-T624 WeakPolarHBondContact O-CB 3.48Å; M259-T624 PolarHBondContact O-OG1 2.83Å; P262-T624 HydrophobicContact CB-CG2 3.92Å; Y600-T624 HydrophobicContact CD1-CG2 3.92Å; Y600-T624 HydrophobicContact CE1-CG2 4.1Å; T624-R626 WeakPolarHBondContact O-CG 3.37Å; T624-R626 PolarHBondContact O-N 2.87Å
625	A	97.8	Very high	95.9	Very high	1 Å²	1	34 Å²	34	1%	0.008	16%	0.163	C	C	.	.			trans	-77.6	107.9	-179	0	0	0	0	0	110.9	W257 Q568 L571 A572 S623	W257-A625 CarbonylContact O-C 3.58Å; W257-A625 WeakPolarHBondContact O-CA 3.45Å; Q568-A625 PolarHBondContact NE2-O 3.5Å; L571-A625 HydrophobicContact CB-CB 4.14Å; L571-A625 HydrophobicContact CD2-CB 4Å; L571-A625 HydrophobicContact CG-CB 3.93Å; A572-A625 HydrophobicContact CB-CB 4.02Å; S623-A625 PolarHBondContact OG-N 2.92Å
626	R	96.6	Very high	96.3	Very high	41 Å²	41	32.9 Å²	32.9	16%	0.155	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-179.8	-177	-46.8	-160.4	179.7	-172.5	7.3	111.4	W257 T265 D598 L599 E601 T624	W257-R626 VanDerWaalsContact CD1-C 3.42Å; W257-R626 PolarHBondContact N-O 3.31Å; W257-R626 VanDerWaalsContact N-O 3.11Å; W257-R626 PolarHBondContact O-N 3.44Å; T265-R626 VanDerWaalsContact CG2-CZ 3.45Å; T265-R626 PolarHBondContact OG1-NH1 3.17Å; D598-R626 PolarHBondContact O-NH2 2.82Å; L599-R626 PolarHBondContact O-NH2 3.04Å; L599-R626 VanDerWaalsContact O-NH2 3.14Å; E601-R626 HydrophobicContact CB-CG 4.34Å; E601-R626 WeakPolarHBondContact OE2-CA 3.44Å; E601-R626 WeakPolarHBondContact OE2-CB 3.47Å; E601-R626 VanDerWaalsContact OE2-CG 3.24Å; E601-R626 WeakPolarHBondContact OE2-CG 3.45Å; T624-R626 WeakPolarHBondContact O-CG 3.37Å; T624-R626 PolarHBondContact O-N 2.87Å
627	L	97.7	Very high	96.6	Very high	48 Å²	48	33.6 Å²	33.6	25%	0.251	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.1	175	-62	-178.8	0	0	0	110.9	Y254 N255 V256 T564 Q568	Y254-L627 HydrophobicContact CD1-CB 3.91Å; Y254-L627 HydrophobicContact CG-CB 4.19Å; Y254-L627 HydrophobicContact CG-CD1 4.36Å; N255-L627 CarbonylContact O-C 3.15Å; N255-L627 WeakPolarHBondContact O-CA 3.31Å; V256-L627 HydrophobicContact CB-CD2 4.49Å; V256-L627 HydrophobicContact CG2-CD2 3.81Å; T564-L627 HydrophobicContact CG2-CD2 3.83Å; Q568-L627 HydrophobicContact CB-CD2 4.15Å; Q568-L627 HydrophobicContact CG-CD2 4.12Å; Q568-L627 HydrophobicContact CG-CG 4.46Å
628	A	97.4	Very high	96.8	Very high	13 Å²	13	33.3 Å²	33.3	11%	0.107	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.9	171.1	0	0	0	0	0	109	Y254 N255 M343 F352 A630	Y254-A628 CarbonylContact C-O 3.58Å; Y254-A628 WeakPolarHBondContact CA-O 3.21Å; N255-A628 HydrophobicContact CB-CB 4.46Å; N255-A628 PolarHBondContact N-O 3.21Å; N255-A628 PolarHBondContact O-N 2.88Å; M343-A628 HydrophobicContact CE-CB 4.08Å; F352-A628 HydrophobicContact CE2-CB 4.06Å; A628-A630 PolarHBondContact O-N 3.4Å
629	R	97.3	Very high	96.8	Very high	77 Å²	77	35.4 Å²	35.4	29%	0.291	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	126.3	-173.2	-178.2	63.3	179.9	168.2	-6.5	111	S252 D253 Y254 R342 S559 L631	S252-R629 PolarHBondContact OG-NH2 2.88Å; D253-R629 WeakPolarHBondContact O-CD 3.28Å; D253-R629 PolarHBondContact O-NH1 3.11Å; D253-R629 VanDerWaalsContact O-NH1 3.11Å; Y254-R629 HydrophobicContact CD1-CB 4.19Å; Y254-R629 HydrophobicContact CE1-CB 4.01Å; Y254-R629 HydrophobicContact CE1-CG 4.48Å; R342-R629 WeakPolarHBondContact CG-O 3.31Å; S559-R629 VanDerWaalsContact CB-NH1 3.32Å; S559-R629 PolarHBondContact OG-NH1 3.32Å; R629-L631 HydrophobicContact CG-CB 4.28Å
630	A	96.8	Very high	96.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	79.6	177.2	0	0	0	0	0	109.9	S252 D253 N255 Q331 A628	S252-A630 VanDerWaalsContact CA-O 3.24Å; S252-A630 WeakPolarHBondContact CA-O 3.3Å; S252-A630 WeakPolarHBondContact CB-O 3.48Å; D253-A630 PolarHBondContact N-O 3.35Å; D253-A630 WeakPolarHBondContact O-CA 3.46Å; D253-A630 PolarHBondContact O-N 3.12Å; N255-A630 WeakPolarHBondContact OD1-CB 3.17Å; Q331-A630 HydrophobicContact CB-CB 4.34Å; A628-A630 PolarHBondContact O-N 3.4Å
631	L	97.1	Very high	96.7	Very high	37 Å²	37	37.4 Å²	37.4	19%	0.194	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.3	172.3	171.9	68.8	0	0	0	107.7	P250 R342 R629 F635	P250-L631 HydrophobicContact CB-CD1 3.58Å; P250-L631 HydrophobicContact CG-CD1 4.41Å; R342-L631 WeakPolarHBondContact CB-O 3.11Å; R342-L631 WeakPolarHBondContact CD-O 3.38Å; R342-L631 VanDerWaalsContact CG-O 3.23Å; R342-L631 WeakPolarHBondContact CG-O 3.21Å; R629-L631 HydrophobicContact CG-CB 4.28Å; L631-F635 HydrophobicContact CD1-CB 4.05Å; L631-F635 HydrophobicContact CD1-CD2 3.84Å; L631-F635 HydrophobicContact CD1-CG 4.2Å; L631-F635 HydrophobicContact CD2-CB 4.3Å; L631-F635 HydrophobicContact CG-CB 4.22Å
632	S	97.6	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.			trans	-56	137.1	-176.4	174	0	0	0	0	111.9	A634 F635 S646	S632-A634 PolarHBondContact O-N 3.27Å; S632-A634 PolarHBondContact OG-N 3.11Å; S632-F635 PolarHBondContact O-N 2.91Å; S632-S646 WeakPolarHBondContact CB-O 3.43Å; S632-S646 PolarHBondContact OG-N 2.82Å; S632-S646 PolarHBondContact OG-O 3.35Å
633	P	97.7	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.3	-25.1	176.8	-25.8	34.9	0	0	0	114.1	Y345 F635 E636 L637 Y645	Y345-P633 HydrophobicContact CD1-CB 4.23Å; Y345-P633 HydrophobicContact CD1-CG 4.22Å; Y345-P633 HydrophobicContact CD2-CB 3.98Å; Y345-P633 HydrophobicContact CD2-CG 4.22Å; Y345-P633 HydrophobicContact CE2-CB 4.34Å; Y345-P633 HydrophobicContact CG-CB 3.92Å; Y345-P633 HydrophobicContact CG-CG 3.77Å; P633-F635 PolarHBondContact O-N 3.25Å; P633-E636 PolarHBondContact O-N 3.18Å; P633-E636 VanDerWaalsContact O-N 3.14Å; P633-L637 WeakPolarHBondContact O-CB 3.47Å; P633-L637 WeakPolarHBondContact O-CG 3.46Å; P633-L637 PolarHBondContact O-N 3.27Å; P633-Y645 HydrophobicContact CB-CD1 3.83Å; P633-Y645 HydrophobicContact CB-CD2 3.85Å; P633-Y645 HydrophobicContact CB-CE1 3.93Å; P633-Y645 HydrophobicContact CB-CE2 3.92Å; P633-Y645 HydrophobicContact CB-CG 3.8Å; P633-Y645 HydrophobicContact CG-CD1 3.75Å; P633-Y645 HydrophobicContact CG-CE1 3.84Å; P633-Y645 HydrophobicContact CG-CG 4.2Å
634	A	97.4	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-53.9	-38.1	174.3	0	0	0	0	0	112.8	S632 S638 Q639 S646 T647	S632-A634 PolarHBondContact O-N 3.27Å; S632-A634 PolarHBondContact OG-N 3.11Å; A634-S638 CarbonylContact O-C 3.36Å; A634-S638 PolarHBondContact O-N 3.44Å; A634-S638 VanDerWaalsContact O-N 3.15Å; A634-Q639 PolarHBondContact O-N 3.32Å; A634-S646 WeakPolarHBondContact CB-O 3.37Å; A634-T647 HydrophobicContact CB-CG2 3.8Å
635	F	96.8	Very high	96.1	Very high	19 Å²	19	45.7 Å²	45.7	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-81.2	-29.5	-179.4	-60.2	-74.2	0	0	0	112.6	T227 M231 P250 L631 S632 P633 S638 W640 T649	T227-F635 HydrophobicContact CG2-CE1 3.81Å; T227-F635 HydrophobicContact CG2-CZ 4.12Å; M231-F635 HydrophobicContact CE-CD1 4.43Å; M231-F635 HydrophobicContact CG-CE1 4.25Å; P250-F635 HydrophobicContact CB-CD1 4.08Å; P250-F635 HydrophobicContact CB-CD2 3.95Å; P250-F635 HydrophobicContact CB-CE1 4.1Å; P250-F635 HydrophobicContact CB-CE2 3.98Å; P250-F635 HydrophobicContact CB-CG 4.01Å; P250-F635 HydrophobicContact CB-CZ 4.05Å; P250-F635 HydrophobicContact CG-CD1 3.83Å; P250-F635 HydrophobicContact CG-CE1 4.05Å; P250-F635 HydrophobicContact CG-CG 4.1Å; P250-F635 HydrophobicContact CG-CZ 4.5Å; L631-F635 HydrophobicContact CD1-CB 4.05Å; L631-F635 HydrophobicContact CD1-CD2 3.84Å; L631-F635 HydrophobicContact CD1-CG 4.2Å; L631-F635 HydrophobicContact CD2-CB 4.3Å; L631-F635 HydrophobicContact CG-CB 4.22Å; S632-F635 PolarHBondContact O-N 2.91Å; P633-F635 PolarHBondContact O-N 3.25Å; F635-S638 PolarHBondContact O-N 3.29Å; F635-W640 AromaticContact CD1-CD1 3.96Å; F635-T649 HydrophobicContact CE1-CG2 3.55Å; F635-T649 HydrophobicContact CZ-CG2 3.54Å
636	E	95.4	Very high	96.1	Very high	78 Å²	78	45.7 Å²	45.7	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-69.9	-41.9	173.5	-167	-99.2	-172.1	0	0	111.1	Y345 K351 P633 S638	Y345-E636 PolarHBondContact OH-OE2 3.49Å; K351-E636 IonicContact NZ-OE1 2.64Å; K351-E636 PolarHBondContact NZ-OE1 2.92Å; P633-E636 PolarHBondContact O-N 3.18Å; P633-E636 VanDerWaalsContact O-N 3.14Å; E636-S638 PolarHBondContact O-N 2.91Å
637	L	96.3	Very high	96.1	Very high	67 Å²	67	43.9 Å²	43.9	35%	0.351	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-6.3	175.5	-63.8	174.1	0	0	0	113.4	Y345 P633 Q639 Y645	Y345-L637 HydrophobicContact CE2-CD1 4.45Å; Y345-L637 WeakPolarHBondContact OH-CD2 3.43Å; P633-L637 WeakPolarHBondContact O-CB 3.47Å; P633-L637 WeakPolarHBondContact O-CG 3.46Å; P633-L637 PolarHBondContact O-N 3.27Å; L637-Q639 HydrophobicContact CB-CB 4.46Å; L637-Q639 HydrophobicContact CB-CG 4.05Å; L637-Q639 PolarHBondContact O-N 2.88Å; L637-Y645 HydrophobicContact CD1-CD2 4.21Å; L637-Y645 HydrophobicContact CD1-CE2 3.86Å
638	S	95.1	Very high	96.1	Very high	78 Å²	78	41.8 Å²	41.8	55%	0.545	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	29.6	-173.3	-57.6	0	0	0	0	114.3	A634 F635 E636 W640	A634-S638 CarbonylContact O-C 3.36Å; A634-S638 PolarHBondContact O-N 3.44Å; A634-S638 VanDerWaalsContact O-N 3.15Å; F635-S638 PolarHBondContact O-N 3.29Å; E636-S638 PolarHBondContact O-N 2.91Å; S638-W640 PolarHBondContact O-N 3.42Å
639	Q	95.3	Very high	96.1	Very high	108 Å²	108	41.2 Å²	41.2	51%	0.505	22%	0.216	S	C	.	.			trans	-98.9	71.3	177.5	-66.8	-179.7	-5.9	0	0	110.6	A634 L637 S641 S642	A634-Q639 PolarHBondContact O-N 3.32Å; L637-Q639 HydrophobicContact CB-CB 4.46Å; L637-Q639 HydrophobicContact CB-CG 4.05Å; L637-Q639 PolarHBondContact O-N 2.88Å; Q639-S641 PolarHBondContact O-N 3.42Å; Q639-S642 WeakPolarHBondContact O-CB 3.09Å; Q639-S642 PolarHBondContact O-N 2.75Å; Q639-S642 VanDerWaalsContact O-N 3.14Å
640	W	94.8	Very high	96.1	Very high	54 Å²	54	37.6 Å²	37.6	21%	0.205	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-5	-170.9	-52.5	-36.7	0	0	0	116.1	T227 A228 M231 R232 F635 S638	T227-W640 HydrophobicContact CG2-CB 4.35Å; A228-W640 HydrophobicContact CB-CB 4.26Å; M231-W640 HydrophobicContact CB-CB 4.49Å; M231-W640 HydrophobicContact CB-CD2 3.43Å; M231-W640 VanDerWaalsContact CB-CD2 3.43Å; M231-W640 HydrophobicContact CB-CE3 3.66Å; M231-W640 HydrophobicContact CB-CG 3.83Å; M231-W640 HydrophobicContact CB-CH2 4.27Å; M231-W640 HydrophobicContact CB-CZ2 4.06Å; M231-W640 HydrophobicContact CB-CZ3 4.1Å; M231-W640 HydrophobicContact CG-CD2 4.28Å; M231-W640 HydrophobicContact CG-CG 4.2Å; R232-W640 VanDerWaalsContact CA-CZ3 3.41Å; R232-W640 HydrophobicContact CB-CE3 4.29Å; R232-W640 HydrophobicContact CB-CZ3 3.78Å; F635-W640 AromaticContact CD1-CD1 3.96Å; S638-W640 PolarHBondContact O-N 3.42Å
641	S	95.9	Very high	96.2	Very high	78 Å²	78	37.7 Å²	37.7	55%	0.545	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	32.4	175.1	-161.2	0	0	0	0	111.1	Q639	Q639-S641 PolarHBondContact O-N 3.42Å
642	S	94.7	Very high	96.1	Very high	15 Å²	15	40.8 Å²	40.8	11%	0.105	21%	0.212	C	C	.	.			trans	-69.1	143.1	178.3	-173.2	0	0	0	0	111.8	Q639 E644 Y645	Q639-S642 WeakPolarHBondContact O-CB 3.09Å; Q639-S642 PolarHBondContact O-N 2.75Å; Q639-S642 VanDerWaalsContact O-N 3.14Å; S642-E644 PolarHBondContact OG-N 2.97Å; S642-Y645 PolarHBondContact OG-N 3.24Å
643	T	92.8	Very high	95.9	Very high	123 Å²	123	43.7 Å²	43.7	76%	0.755	22%	0.223	S	C	*	.	S	Bend	trans	-99.9	-12.6	171.5	56.1	0	0	0	0	112.7
644	E	90.9	Very high	95.6	Very high	90 Å²	90	51.5 Å²	51.5	42%	0.421	26%	0.257	S	S	.	.	S	Bend	trans	-98.3	-38.3	-176.3	162.3	156.4	-133.2	0	0	112.6	R429 R432 S642	R429-E644 PolarHBondContact NH2-O 2.89Å; R432-E644 IonicContact CZ-OE1 2.93Å; R432-E644 IonicContact NH2-OE1 2.61Å; R432-E644 PolarHBondContact NH2-OE1 2.93Å; S642-E644 PolarHBondContact OG-N 2.97Å
645	Y	96.6	Very high	95.3	Very high	32 Å²	32	56.8 Å²	56.8	13%	0.125	29%	0.285	C	S	.	.	S	Bend	trans	-107.9	139.9	179.3	-65.4	-53	0	0	0	109.9	S341 P633 L637 S642	S341-Y645 WeakPolarHBondContact OG-CD1 3.04Å; P633-Y645 HydrophobicContact CB-CD1 3.83Å; P633-Y645 HydrophobicContact CB-CD2 3.85Å; P633-Y645 HydrophobicContact CB-CE1 3.93Å; P633-Y645 HydrophobicContact CB-CE2 3.92Å; P633-Y645 HydrophobicContact CB-CG 3.8Å; P633-Y645 HydrophobicContact CG-CD1 3.75Å; P633-Y645 HydrophobicContact CG-CE1 3.84Å; P633-Y645 HydrophobicContact CG-CG 4.2Å; L637-Y645 HydrophobicContact CD1-CD2 4.21Å; L637-Y645 HydrophobicContact CD1-CE2 3.86Å; S642-Y645 PolarHBondContact OG-N 3.24Å
646	S	97.3	Very high	95.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.007	29%	0.291	C	S	.	.			trans	-54.5	137.8	179.8	174.8	0	0	0	0	111.8	F335 D336 I338 S632 A634	F335-S646 PolarHBondContact O-OG 3.47Å; D336-S646 WeakPolarHBondContact O-CB 3.46Å; I338-S646 WeakPolarHBondContact CG1-OG 3.12Å; S632-S646 WeakPolarHBondContact CB-O 3.43Å; S632-S646 PolarHBondContact OG-N 2.82Å; S632-S646 PolarHBondContact OG-O 3.35Å; A634-S646 WeakPolarHBondContact CB-O 3.37Å
647	T	97.6	Very high	95.3	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.018	30%	0.298	C	S	.	.			trans	-124.3	24.7	-177.1	47.6	0	0	0	0	111.9	A56 T227 A634 T649	A56-T647 HydrophobicContact CB-CG2 4.28Å; A56-T647 VanDerWaalsContact CB-OG1 3.3Å; A56-T647 WeakPolarHBondContact CB-OG1 3.48Å; A56-T647 PolarHBondContact N-OG1 2.94Å; T227-T647 WeakPolarHBondContact CB-O 3.38Å; T227-T647 VanDerWaalsContact CG2-O 3.31Å; T227-T647 WeakPolarHBondContact CG2-O 3.35Å; T227-T647 PolarHBondContact OG1-O 3.11Å; A634-T647 HydrophobicContact CB-CG2 3.8Å; T647-T649 PolarHBondContact O-N 3.38Å
648	W	97.9	Very high	95.4	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.019	28%	0.282	C	S	.	.			trans	-66.5	124.5	-179.4	-71.7	102.4	0	0	0	112	L53 L54 N55 I60 Y173 L251 F335 D336	L53-W648 HydrophobicContact CB-CE3 4.06Å; L53-W648 HydrophobicContact CB-CZ3 4.07Å; L53-W648 HydrophobicContact CD2-CE3 4.47Å; L54-W648 CarbonylContact O-C 3.56Å; L54-W648 VanDerWaalsContact O-CA 3.28Å; L54-W648 WeakPolarHBondContact O-CA 3.46Å; L54-W648 VanDerWaalsContact O-CE3 3.28Å; N55-W648 HydrophobicContact CB-CD2 4.2Å; N55-W648 HydrophobicContact CB-CE3 4.1Å; N55-W648 HydrophobicContact CB-CH2 4.06Å; N55-W648 HydrophobicContact CB-CZ2 4.16Å; N55-W648 HydrophobicContact CB-CZ3 4.02Å; I60-W648 HydrophobicContact CD1-CE3 4.48Å; I60-W648 HydrophobicContact CD1-CH2 3.51Å; I60-W648 HydrophobicContact CD1-CZ3 3.4Å; I60-W648 HydrophobicContact CG1-CH2 4.22Å; I60-W648 HydrophobicContact CG1-CZ3 3.81Å; I60-W648 HydrophobicContact CG2-CH2 4.43Å; Y173-W648 HydrophobicContact CD1-CH2 4.2Å; Y173-W648 HydrophobicContact CD1-CZ2 4.36Å; Y173-W648 HydrophobicContact CE1-CH2 4.27Å; Y173-W648 HydrophobicContact CE1-CZ2 4.06Å; L251-W648 HydrophobicContact CD1-CB 3.83Å; L251-W648 HydrophobicContact CG-CB 4.38Å; L251-W648 PolarHBondContact N-O 3.23Å; L251-W648 VanDerWaalsContact N-O 3.16Å; F335-W648 HydrophobicContact CB-CB 4.35Å; F335-W648 HydrophobicContact CB-CG 4.03Å; F335-W648 HydrophobicContact CD1-CB 4.27Å; F335-W648 AromaticContact CD1-CD1 3.97Å; F335-W648 AromaticContact CD1-CD2 3.87Å; F335-W648 HydrophobicContact CD1-CD2 3.87Å; F335-W648 HydrophobicContact CD1-CE3 4.44Å; F335-W648 AromaticContact CD1-CG 3.77Å; F335-W648 HydrophobicContact CD1-CG 3.77Å; F335-W648 HydrophobicContact CG-CG 4.3Å; D336-W648 PolarHBondContact OD2-NE1 2.97Å
649	T	97.7	Very high	95.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.5	169.1	57.1	0	0	0	0	110	L53 L54 T227 M231 D249 F635 T647	L53-T649 CarbonylContact C-O 3.37Å; L53-T649 WeakPolarHBondContact CA-O 3.24Å; L54-T649 WeakPolarHBondContact CB-OG1 3.45Å; L54-T649 PolarHBondContact N-O 3.11Å; L54-T649 PolarHBondContact O-N 3.36Å; T227-T649 HydrophobicContact CG2-CG2 3.45Å; T227-T649 VanDerWaalsContact CG2-CG2 3.45Å; T227-T649 PolarHBondContact OG1-OG1 3.24Å; M231-T649 HydrophobicContact CG-CG2 4.2Å; M231-T649 HydrophobicContact SD-CG2 4.13Å; D249-T649 CarbonylContact O-C 3.46Å; D249-T649 VanDerWaalsContact O-CA 3.24Å; D249-T649 WeakPolarHBondContact O-CA 3.02Å; D249-T649 VanDerWaalsContact O-CB 3.25Å; D249-T649 WeakPolarHBondContact O-CB 3.13Å; F635-T649 HydrophobicContact CE1-CG2 3.55Å; F635-T649 HydrophobicContact CZ-CG2 3.54Å; T647-T649 PolarHBondContact O-N 3.38Å
650	E	97.7	Very high	95.6	Very high	2 Å²	2	51 Å²	51	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.5	174.4	176.2	162.9	-157.4	0	0	108.8	V51 C248 D249 L251 W289 Y554 V557 W653	V51-E650 HydrophobicContact CG1-CG 4.19Å; C248-E650 VanDerWaalsContact CA-O 3.23Å; C248-E650 WeakPolarHBondContact CA-O 3.12Å; C248-E650 WeakPolarHBondContact CB-O 3.35Å; D249-E650 PolarHBondContact N-O 3.45Å; D249-E650 PolarHBondContact O-N 3.33Å; L251-E650 HydrophobicContact CD2-CB 3.71Å; L251-E650 WeakPolarHBondContact CD2-OE2 3.47Å; L251-E650 HydrophobicContact CG-CB 4.4Å; W289-E650 PolarHBondContact NE1-OE1 3.46Å; Y554-E650 WeakPolarHBondContact CE1-OE2 3.45Å; Y554-E650 PolarHBondContact OH-OE1 3.25Å; Y554-E650 PolarHBondContact OH-OE2 2.94Å; V557-E650 HydrophobicContact CG2-CB 3.7Å; V557-E650 HydrophobicContact CG2-CG 4.11Å; V557-E650 WeakPolarHBondContact CG2-OE2 3.28Å; E650-W653 HydrophobicContact CG-CH2 4.09Å; E650-W653 HydrophobicContact CG-CZ3 3.66Å; E650-W653 WeakPolarHBondContact OE1-CH2 3.46Å; E650-W653 WeakPolarHBondContact OE1-CZ3 3.39Å
651	S	97.2	Very high	95.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.6	176.2	-179.2	0	0	0	0	109.4	R52 M221 H222 A223 W653	R52-S651 WeakPolarHBondContact O-CB 3.35Å; R52-S651 PolarHBondContact O-N 2.91Å; M221-S651 WeakPolarHBondContact CB-OG 2.98Å; H222-S651 PolarHBondContact N-OG 3.25Å; A223-S651 WeakPolarHBondContact CB-OG 3.29Å; A223-S651 PolarHBondContact N-OG 3.3Å; S651-W653 WeakPolarHBondContact O-CZ3 3.5Å
652	R	95.3	Very high	95.9	Very high	102 Å²	102	49.7 Å²	49.7	39%	0.385	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-74	152.4	161.8	-71.4	-158.3	-178.1	-175.1	-0.8	110.4	H222 I246 V247 D249	H222-R652 WeakPolarHBondContact CB-O 3.3Å; H222-R652 PolarHBondContact N-O 3.45Å; I246-R652 WeakPolarHBondContact O-CD 3.28Å; V247-R652 PolarHBondContact O-N 2.98Å; D249-R652 IonicContact OD1-CZ 3.59Å; D249-R652 IonicContact OD1-NE 3.44Å; D249-R652 PolarHBondContact OD1-NE 2.89Å; D249-R652 IonicContact OD1-NH2 2.85Å; D249-R652 PolarHBondContact OD1-NH2 2.96Å; D249-R652 WeakPolarHBondContact OD2-CG 3.44Å; D249-R652 IonicContact OD2-CZ 3.48Å; D249-R652 IonicContact OD2-NE 3.39Å; D249-R652 PolarHBondContact OD2-NE 3.37Å; D249-R652 IonicContact OD2-NH2 2.73Å; D249-R652 PolarHBondContact OD2-NH2 3.38Å
653	W	94.8	Very high	96	Very high	61 Å²	61	51 Å²	51	23%	0.231	24%	0.236	C	C	.	.			trans	-139.6	172.1	169.1	58.3	83.2	0	0	0	108.3	V51 H220 M221 W289 E650 S651 I656	V51-W653 HydrophobicContact CB-CZ3 4.46Å; V51-W653 HydrophobicContact CG1-CE3 3.82Å; V51-W653 HydrophobicContact CG1-CH2 4.04Å; V51-W653 HydrophobicContact CG1-CZ3 3.31Å; V51-W653 HydrophobicContact CG2-CH2 4.44Å; V51-W653 HydrophobicContact CG2-CZ3 4.28Å; H220-W653 WeakPolarHBondContact O-CB 3.33Å; M221-W653 HydrophobicContact CE-CB 4.44Å; M221-W653 HydrophobicContact CE-CE3 4.25Å; M221-W653 HydrophobicContact SD-CB 4.15Å; M221-W653 HydrophobicContact SD-CD2 4.44Å; M221-W653 HydrophobicContact SD-CE3 3.82Å; W289-W653 HydrophobicContact CD2-CH2 4.28Å; W289-W653 HydrophobicContact CD2-CZ2 4.12Å; W289-W653 AromaticContact CE2-CH2 3.68Å; W289-W653 AromaticContact CE2-CZ2 3.6Å; W289-W653 HydrophobicContact CE3-CZ2 4.39Å; W289-W653 AromaticContact CH2-CZ2 3.75Å; W289-W653 HydrophobicContact CH2-CZ2 3.75Å; W289-W653 AromaticContact CZ2-CH2 3.9Å; W289-W653 HydrophobicContact CZ2-CH2 3.9Å; W289-W653 AromaticContact CZ2-CZ2 3.43Å; W289-W653 HydrophobicContact CZ2-CZ2 3.43Å; W289-W653 VanDerWaalsContact CZ2-CZ2 3.43Å; W289-W653 HydrophobicContact CZ3-CZ2 4.21Å; W289-W653 AromaticContact NE1-CH2 3.64Å; E650-W653 HydrophobicContact CG-CH2 4.09Å; E650-W653 HydrophobicContact CG-CZ3 3.66Å; E650-W653 WeakPolarHBondContact OE1-CH2 3.46Å; E650-W653 WeakPolarHBondContact OE1-CZ3 3.39Å; S651-W653 WeakPolarHBondContact O-CZ3 3.5Å; W653-I656 HydrophobicContact CB-CD1 4.46Å; W653-I656 HydrophobicContact CB-CG1 4.45Å; W653-I656 VanDerWaalsContact CD1-CG1 3.49Å; W653-I656 HydrophobicContact CD2-CD1 3.87Å; W653-I656 HydrophobicContact CG-CD1 3.69Å; W653-I656 HydrophobicContact CG-CG1 3.93Å
654	K	90.4	Very high	96.1	Very high	165 Å²	165	46.8 Å²	46.8	72%	0.717	21%	0.214	S	C	*	.	S	Bend	trans	-102.3	-84.1	179.3	-173.1	179.5	175.8	176	0	111.7
655	D	91.7	Very high	96.3	Very high	110 Å²	110	43.6 Å²	43.6	59%	0.588	20%	0.202	S	C	*	.			trans	-121.4	109.4	-178.1	-62.4	-47.6	0	0	0	108.8
656	I	95.9	Very high	96.2	Very high	41 Å²	41	49.6 Å²	49.6	21%	0.21	23%	0.228	C	C	.	.			trans	-89.4	128.1	170.9	-62.4	179.9	0	0	0	108.3	P49 V51 F181 F218 M221 W653	P49-I656 HydrophobicContact CB-CD1 4.07Å; P49-I656 HydrophobicContact CB-CG2 3.74Å; P49-I656 HydrophobicContact CG-CD1 3.67Å; P49-I656 HydrophobicContact CG-CG2 3.84Å; V51-I656 HydrophobicContact CG2-CD1 4.4Å; F181-I656 HydrophobicContact CE2-CG2 3.79Å; F181-I656 HydrophobicContact CZ-CG2 3.59Å; F218-I656 VanDerWaalsContact O-CA 3.27Å; F218-I656 WeakPolarHBondContact O-CA 3.41Å; F218-I656 WeakPolarHBondContact O-CG2 3.41Å; M221-I656 HydrophobicContact CE-CD1 4.05Å; W653-I656 HydrophobicContact CB-CD1 4.46Å; W653-I656 HydrophobicContact CB-CG1 4.45Å; W653-I656 VanDerWaalsContact CD1-CG1 3.49Å; W653-I656 HydrophobicContact CD2-CD1 3.87Å; W653-I656 HydrophobicContact CG-CD1 3.69Å; W653-I656 HydrophobicContact CG-CG1 3.93Å
657	R	96.8	Very high	96	Very high	135 Å²	135	56.7 Å²	56.7	51%	0.509	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	159.9	177.6	60.9	-175.5	-179	-173.4	-1.1	111.3	F218	F218-R657 HydrophobicContact CB-CG 3.97Å; F218-R657 WeakPolarHBondContact CB-O 3.46Å; F218-R657 HydrophobicContact CD2-CG 3.65Å; F218-R657 HydrophobicContact CE2-CG 4.4Å; F218-R657 HydrophobicContact CG-CG 4.02Å; F218-R657 PolarHBondContact N-O 2.97Å; F218-R657 PolarHBondContact O-N 3.23Å
658	A	97.2	Very high	95.9	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.5	173.9	0	0	0	0	0	110.5	L44 T47 F181 Q216 L217	L44-A658 HydrophobicContact CB-CB 4.09Å; L44-A658 HydrophobicContact CD1-CB 3.91Å; L44-A658 HydrophobicContact CG-CB 4.3Å; L44-A658 PolarHBondContact N-O 2.88Å; T47-A658 HydrophobicContact CG2-CB 4.43Å; F181-A658 HydrophobicContact CD2-CB 4.01Å; F181-A658 HydrophobicContact CE2-CB 4Å; Q216-A658 WeakPolarHBondContact O-CA 3.47Å; L217-A658 HydrophobicContact CD2-CB 3.41Å; L217-A658 VanDerWaalsContact CD2-CB 3.41Å
659	R	97.4	Very high	95.8	Very high	47 Å²	47	66 Å²	66	18%	0.177	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	151	176	62.8	-173.4	-177.9	168.7	1	111.5	Y41 I42 M215 Q216 F218 F661	Y41-R659 HydrophobicContact CD1-CG 4.17Å; Y41-R659 VanDerWaalsContact CE1-CZ 3.41Å; I42-R659 VanDerWaalsContact O-CA 3.3Å; I42-R659 WeakPolarHBondContact O-CA 3.38Å; M215-R659 WeakPolarHBondContact CA-O 3.4Å; Q216-R659 HydrophobicContact CB-CG 4.3Å; Q216-R659 PolarHBondContact N-O 3.39Å; Q216-R659 PolarHBondContact O-N 3.2Å; Q216-R659 VanDerWaalsContact OE1-CZ 3.31Å; F218-R659 HydrophobicContact CE2-CG 4.47Å; R659-F661 HydrophobicContact CG-CD1 4.39Å
660	I	97.9	Very high	95.8	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.8	171.5	65.5	175.8	0	0	0	110.7	I42 L44 I73 V191 I192 A214 M215	I42-I660 HydrophobicContact CB-CD1 4.35Å; I42-I660 HydrophobicContact CB-CG1 3.77Å; I42-I660 HydrophobicContact CD1-CD1 4.38Å; I42-I660 HydrophobicContact CD1-CG1 4.45Å; I42-I660 HydrophobicContact CG2-CG1 4.37Å; I42-I660 PolarHBondContact N-O 3.48Å; I42-I660 PolarHBondContact O-N 2.91Å; L44-I660 HydrophobicContact CD1-CG2 4.44Å; I73-I660 HydrophobicContact CD1-CB 4.39Å; I73-I660 HydrophobicContact CD1-CG2 3.85Å; V191-I660 HydrophobicContact CG1-CD1 4.07Å; I192-I660 HydrophobicContact CG1-CD1 4.14Å; I192-I660 HydrophobicContact CG1-CG2 4.17Å; A214-I660 VanDerWaalsContact O-CA 3.28Å; A214-I660 WeakPolarHBondContact O-CA 3.36Å; M215-I660 HydrophobicContact CB-CG2 3.93Å; M215-I660 HydrophobicContact CG-CG2 3.91Å; M215-I660 HydrophobicContact SD-CG2 4.1Å
661	F	98.1	Very high	95.7	Very high	26 Å²	26	76.9 Å²	76.9	11%	0.114	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	168.8	-179	57.2	-78.6	0	0	0	111.2	I40 Y41 T70 A214 Q216 R659 I663	I40-F661 HydrophobicContact CG2-CB 4.1Å; I40-F661 WeakPolarHBondContact O-CA 3.26Å; I40-F661 WeakPolarHBondContact O-CB 3.36Å; Y41-F661 HydrophobicContact CD1-CB 3.61Å; Y41-F661 AromaticContact CD1-CD1 3.55Å; Y41-F661 HydrophobicContact CD1-CD1 3.55Å; Y41-F661 HydrophobicContact CD1-CD2 4.42Å; Y41-F661 HydrophobicContact CD1-CE1 4.3Å; Y41-F661 AromaticContact CD1-CG 3.63Å; Y41-F661 HydrophobicContact CD1-CG 3.63Å; Y41-F661 HydrophobicContact CE1-CB 3.95Å; Y41-F661 AromaticContact CE1-CD1 3.58Å; Y41-F661 HydrophobicContact CE1-CD1 3.58Å; Y41-F661 AromaticContact CE1-CD2 3.91Å; Y41-F661 HydrophobicContact CE1-CD2 3.91Å; Y41-F661 AromaticContact CE1-CE1 3.98Å; Y41-F661 HydrophobicContact CE1-CE1 3.98Å; Y41-F661 HydrophobicContact CE1-CE2 4.27Å; Y41-F661 AromaticContact CE1-CG 3.55Å; Y41-F661 HydrophobicContact CE1-CG 3.55Å; Y41-F661 HydrophobicContact CE1-CZ 4.3Å; Y41-F661 HydrophobicContact CG-CB 4.49Å; T70-F661 HydrophobicContact CG2-CE1 4.4Å; T70-F661 HydrophobicContact CG2-CZ 3.71Å; A214-F661 PolarHBondContact N-O 3.42Å; A214-F661 PolarHBondContact O-N 3.31Å; Q216-F661 HydrophobicContact CB-CE1 3.72Å; Q216-F661 HydrophobicContact CB-CZ 4.35Å; R659-F661 HydrophobicContact CG-CD1 4.39Å; F661-I663 HydrophobicContact CD2-CG2 3.98Å; F661-I663 HydrophobicContact CE2-CG2 3.55Å; F661-I663 HydrophobicContact CZ-CG2 4.39Å
662	L	97.8	Very high	95.7	Very high	79 Å²	79	81.1 Å²	81.1	41%	0.414	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.6	174.1	-62.3	179.8	0	0	0	111.4	P211 L212 C213	P211-L662 HydrophobicContact CB-CB 4.44Å; L212-L662 CarbonylContact O-C 3.58Å; L212-L662 VanDerWaalsContact O-CA 3.31Å; L212-L662 WeakPolarHBondContact O-CA 3.37Å; C213-L662 HydrophobicContact CB-CD2 4.17Å
663	I	96.4	Very high	95.8	Very high	42 Å²	42	81 Å²	81	22%	0.215	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.1	173.3	60.2	166.1	0	0	0	111.3	V72 F210 P211 L212 A214 F661	V72-I663 HydrophobicContact CG2-CD1 3.64Å; F210-I663 HydrophobicContact CE1-CD1 4.38Å; F210-I663 HydrophobicContact CE1-CG1 4.47Å; P211-I663 WeakPolarHBondContact CA-O 3.28Å; P211-I663 WeakPolarHBondContact CB-O 3.37Å; L212-I663 HydrophobicContact CB-CD1 4.36Å; L212-I663 HydrophobicContact CB-CG1 3.94Å; L212-I663 PolarHBondContact N-O 3.33Å; L212-I663 WeakPolarHBondContact O-CG1 3.37Å; L212-I663 PolarHBondContact O-N 2.89Å; A214-I663 HydrophobicContact CB-CD1 4.28Å; A214-I663 HydrophobicContact CB-CG1 4.2Å; A214-I663 HydrophobicContact CB-CG2 3.63Å; F661-I663 HydrophobicContact CD2-CG2 3.98Å; F661-I663 HydrophobicContact CE2-CG2 3.55Å; F661-I663 HydrophobicContact CZ-CG2 4.39Å
664	A	95.5	Very high	95.9	Very high	36 Å²	36	83.6 Å²	83.6	30%	0.298	41%	0.409	S	S	.	.			trans	-79.4	164.4	170.8	0	0	0	0	0	110.9	F210 L668 E669	F210-A664 VanDerWaalsContact CD1-C 3.49Å; F210-A664 WeakPolarHBondContact CE1-O 3.32Å; A664-L668 HydrophobicContact CB-CD2 4.2Å; A664-E669 HydrophobicContact CB-CG 4.31Å
665	S	95.3	Very high	96.3	Very high	23 Å²	23	80.1 Å²	80.1	16%	0.161	40%	0.401	C	S	.	.			trans	-70.9	146.8	168.4	67.7	0	0	0	0	109.8	F210 E667 L668 E669	F210-S665 VanDerWaalsContact CD1-N 3.3Å; S665-E667 PolarHBondContact O-N 3.4Å; S665-L668 PolarHBondContact O-N 3.38Å; S665-L668 WeakPolarHBondContact OG-CB 3.32Å; S665-L668 PolarHBondContact OG-N 3.38Å; S665-L668 VanDerWaalsContact OG-N 3.17Å; S665-E669 PolarHBondContact O-N 2.86Å; S665-E669 VanDerWaalsContact O-N 3.12Å
666	K	93.6	Very high	96.5	Very high	157 Å²	157	76.6 Å²	76.6	68%	0.683	39%	0.391	S	S	*	.	H	α-helix	trans	-56.9	-34	173.1	-70.8	-171.6	175.9	179.4	0	111.7	L668 E669 F670	K666-L668 PolarHBondContact O-N 3.21Å; K666-E669 PolarHBondContact O-N 3.14Å; K666-F670 HydrophobicContact CB-CD2 4.48Å; K666-F670 WeakPolarHBondContact O-CD2 3.49Å; K666-F670 PolarHBondContact O-N 3.01Å
667	E	94.3	Very high	96.6	Very high	151 Å²	151	80.7 Å²	80.7	71%	0.706	41%	0.407	S	S	*	.	H	α-helix	trans	-59.3	-45.7	175	-63.9	-179.3	177.1	0	0	111.9	S665 F670 I671	S665-E667 PolarHBondContact O-N 3.4Å; E667-F670 PolarHBondContact O-N 3.48Å; E667-I671 VanDerWaalsContact O-CG1 3.24Å; E667-I671 WeakPolarHBondContact O-CG1 3.35Å; E667-I671 PolarHBondContact O-N 3.06Å
668	L	96.1	Very high	96.6	Very high	91 Å²	91	76.2 Å²	76.2	48%	0.476	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-39.6	177.8	-178	60.7	0	0	0	111.7	A664 S665 K666 I671 T672	A664-L668 HydrophobicContact CB-CD2 4.2Å; S665-L668 PolarHBondContact O-N 3.38Å; S665-L668 WeakPolarHBondContact OG-CB 3.32Å; S665-L668 PolarHBondContact OG-N 3.38Å; S665-L668 VanDerWaalsContact OG-N 3.17Å; K666-L668 PolarHBondContact O-N 3.21Å; L668-I671 PolarHBondContact O-N 3.26Å; L668-T672 WeakPolarHBondContact O-CB 3.47Å; L668-T672 PolarHBondContact O-N 3.44Å; L668-T672 PolarHBondContact O-OG1 3.46Å
669	E	95	Very high	96.6	Very high	113 Å²	113	81 Å²	81	53%	0.528	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-45	174.7	-66.3	179.4	172.6	0	0	111.6	A664 S665 K666 T672 L673	A664-E669 HydrophobicContact CB-CG 4.31Å; S665-E669 PolarHBondContact O-N 2.86Å; S665-E669 VanDerWaalsContact O-N 3.12Å; K666-E669 PolarHBondContact O-N 3.14Å; E669-T672 PolarHBondContact O-N 3.21Å; E669-L673 PolarHBondContact O-N 2.94Å
670	F	96.8	Very high	96.6	Very high	131 Å²	131	82.9 Å²	82.9	58%	0.575	44%	0.44	S	S	*	.	H	α-helix	trans	-64.3	-43.7	176	-83.9	-64.8	0	0	0	112.4	K666 E667 T672 L673 I674	K666-F670 HydrophobicContact CB-CD2 4.48Å; K666-F670 WeakPolarHBondContact O-CD2 3.49Å; K666-F670 PolarHBondContact O-N 3.01Å; E667-F670 PolarHBondContact O-N 3.48Å; F670-T672 VanDerWaalsContact C-N 3.3Å; F670-T672 PolarHBondContact O-N 3.32Å; F670-L673 PolarHBondContact O-N 2.82Å; F670-I674 WeakPolarHBondContact O-CB 3.24Å; F670-I674 VanDerWaalsContact O-CG1 3.28Å; F670-I674 WeakPolarHBondContact O-CG1 3.38Å; F670-I674 PolarHBondContact O-N 3.03Å
671	I	97.3	Very high	96.6	Very high	99 Å²	99	86.6 Å²	86.6	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-58.9	-45.5	175.1	-70.1	164.9	0	0	0	110	E667 L668 L673 I674 V675	E667-I671 VanDerWaalsContact O-CG1 3.24Å; E667-I671 WeakPolarHBondContact O-CG1 3.35Å; E667-I671 PolarHBondContact O-N 3.06Å; L668-I671 PolarHBondContact O-N 3.26Å; I671-L673 VanDerWaalsContact C-N 3.33Å; I671-L673 PolarHBondContact O-N 2.91Å; I671-I674 PolarHBondContact O-N 2.89Å; I671-V675 HydrophobicContact CG2-CG2 4.25Å; I671-V675 WeakPolarHBondContact O-CB 3.35Å; I671-V675 VanDerWaalsContact O-CG2 3.28Å; I671-V675 WeakPolarHBondContact O-CG2 3.33Å; I671-V675 PolarHBondContact O-N 3.44Å
672	T	96.4	Very high	96.6	Very high	90 Å²	90	91.4 Å²	91.4	55%	0.552	48%	0.484	S	S	*	.	H	α-helix	trans	-60.6	-43.5	179.3	-56.7	0	0	0	0	111.4	L668 E669 F670 G676	L668-T672 WeakPolarHBondContact O-CB 3.47Å; L668-T672 PolarHBondContact O-N 3.44Å; L668-T672 PolarHBondContact O-OG1 3.46Å; E669-T672 PolarHBondContact O-N 3.21Å; F670-T672 VanDerWaalsContact C-N 3.3Å; F670-T672 PolarHBondContact O-N 3.32Å; T672-G676 PolarHBondContact O-N 3.28Å
673	L	97	Very high	96.6	Very high	98 Å²	98	89.9 Å²	89.9	51%	0.513	48%	0.48	S	S	.	.	H	α-helix	trans	-63	-46.7	176.5	-172.4	68.9	0	0	0	111.8	E669 F670 I671 G676 F677	E669-L673 PolarHBondContact O-N 2.94Å; F670-L673 PolarHBondContact O-N 2.82Å; I671-L673 VanDerWaalsContact C-N 3.33Å; I671-L673 PolarHBondContact O-N 2.91Å; L673-G676 PolarHBondContact O-N 2.75Å; L673-F677 HydrophobicContact CD1-CD2 4.09Å; L673-F677 HydrophobicContact CD1-CE2 3.72Å; L673-F677 HydrophobicContact CD2-CE2 4.48Å; L673-F677 HydrophobicContact CG-CD2 3.97Å; L673-F677 HydrophobicContact CG-CE2 3.93Å; L673-F677 WeakPolarHBondContact O-CD2 3.36Å; L673-F677 PolarHBondContact O-N 2.86Å
674	I	97.3	Very high	96.6	Very high	117 Å²	117	93 Å²	93	60%	0.6	50%	0.496	S	S	*	.	H	α-helix	trans	-64.6	-43.2	-179.4	-69.4	167.4	0	0	0	110.9	F670 I671 G676 F677 G678	F670-I674 WeakPolarHBondContact O-CB 3.24Å; F670-I674 VanDerWaalsContact O-CG1 3.28Å; F670-I674 WeakPolarHBondContact O-CG1 3.38Å; F670-I674 PolarHBondContact O-N 3.03Å; I671-I674 PolarHBondContact O-N 2.89Å; I674-G676 VanDerWaalsContact C-N 3.31Å; I674-G676 PolarHBondContact O-N 3.4Å; I674-F677 PolarHBondContact O-N 2.86Å; I674-G678 PolarHBondContact O-N 3.44Å
675	V	97.8	Very high	96.7	Very high	92 Å²	92	95.8 Å²	95.8	56%	0.558	51%	0.505	S	S	*	.	H	α-helix	trans	-61.8	-42.3	175.1	171.5	0	0	0	0	110.4	I671 G678 I679	I671-V675 HydrophobicContact CG2-CG2 4.25Å; I671-V675 WeakPolarHBondContact O-CB 3.35Å; I671-V675 VanDerWaalsContact O-CG2 3.28Å; I671-V675 WeakPolarHBondContact O-CG2 3.33Å; I671-V675 PolarHBondContact O-N 3.44Å; V675-G678 PolarHBondContact O-N 2.84Å; V675-I679 WeakPolarHBondContact O-CG2 3.26Å; V675-I679 PolarHBondContact O-N 3.48Å
676	G	96.8	Very high	96.8	Very high	36 Å²	36	97.3 Å²	97.3	37%	0.371	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-46.4	175.7	0	0	0	0	0	113.4	T672 L673 I674 I679 L680	T672-G676 PolarHBondContact O-N 3.28Å; L673-G676 PolarHBondContact O-N 2.75Å; I674-G676 VanDerWaalsContact C-N 3.31Å; I674-G676 PolarHBondContact O-N 3.4Å; G676-I679 VanDerWaalsContact O-CG2 3.28Å; G676-I679 WeakPolarHBondContact O-CG2 3.38Å; G676-L680 WeakPolarHBondContact O-CB 3.26Å; G676-L680 PolarHBondContact O-N 3.38Å; G676-L680 VanDerWaalsContact O-N 3.14Å
677	F	97.4	Very high	96.9	Very high	126 Å²	126	94.2 Å²	94.2	55%	0.553	51%	0.508	S	S	*	.	H	α-helix	trans	-67.9	-40.2	174.5	-85.1	-71.8	0	0	0	112.4	L673 I674 L680 V681	L673-F677 HydrophobicContact CD1-CD2 4.09Å; L673-F677 HydrophobicContact CD1-CE2 3.72Å; L673-F677 HydrophobicContact CD2-CE2 4.48Å; L673-F677 HydrophobicContact CG-CD2 3.97Å; L673-F677 HydrophobicContact CG-CE2 3.93Å; L673-F677 WeakPolarHBondContact O-CD2 3.36Å; L673-F677 PolarHBondContact O-N 2.86Å; I674-F677 PolarHBondContact O-N 2.86Å; F677-L680 PolarHBondContact O-N 3.44Å; F677-V681 WeakPolarHBondContact O-CG2 3.33Å; F677-V681 PolarHBondContact O-N 2.96Å
678	G	97.5	Very high	97	Very high	41 Å²	41	95.1 Å²	95.1	42%	0.423	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-48.4	178.7	0	0	0	0	0	112.1	I674 V675 L680 V681 F682	I674-G678 PolarHBondContact O-N 3.44Å; V675-G678 PolarHBondContact O-N 2.84Å; G678-L680 VanDerWaalsContact C-N 3.33Å; G678-L680 PolarHBondContact O-N 3.32Å; G678-V681 PolarHBondContact O-N 3.48Å; G678-F682 VanDerWaalsContact O-CB 3.26Å; G678-F682 WeakPolarHBondContact O-CB 3.13Å; G678-F682 PolarHBondContact O-N 3.31Å
679	I	97.6	Very high	97	Very high	104 Å²	104	93.9 Å²	93.9	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-36.1	178.2	-166.1	61.6	0	0	0	111.7	V675 G676 F682 S683	V675-I679 WeakPolarHBondContact O-CG2 3.26Å; V675-I679 PolarHBondContact O-N 3.48Å; G676-I679 VanDerWaalsContact O-CG2 3.28Å; G676-I679 WeakPolarHBondContact O-CG2 3.38Å; I679-F682 HydrophobicContact CD1-CD1 4.35Å; I679-S683 VanDerWaalsContact O-CB 3.24Å; I679-S683 WeakPolarHBondContact O-CB 3.41Å; I679-S683 PolarHBondContact O-N 2.89Å; I679-S683 PolarHBondContact O-OG 2.82Å
680	L	97.4	Very high	97	Very high	87 Å²	87	92.1 Å²	92.1	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-53.5	175.5	178.1	62.9	0	0	0	110.9	G676 F677 G678 F682 S683 L684	G676-L680 WeakPolarHBondContact O-CB 3.26Å; G676-L680 PolarHBondContact O-N 3.38Å; G676-L680 VanDerWaalsContact O-N 3.14Å; F677-L680 PolarHBondContact O-N 3.44Å; G678-L680 VanDerWaalsContact C-N 3.33Å; G678-L680 PolarHBondContact O-N 3.32Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.22Å; L680-S683 PolarHBondContact O-N 3.08Å; L680-S683 PolarHBondContact O-OG 3.44Å; L680-L684 HydrophobicContact CD1-CD1 4.24Å; L680-L684 HydrophobicContact CD1-CG 4.38Å; L680-L684 HydrophobicContact CG-CD1 4.19Å; L680-L684 WeakPolarHBondContact O-CG 3.19Å; L680-L684 PolarHBondContact O-N 3.29Å
681	V	97.4	Very high	96.9	Very high	79 Å²	79	91.7 Å²	91.7	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-44.6	179.1	172.9	0	0	0	0	110.9	F677 G678 S683 L684 I685	F677-V681 WeakPolarHBondContact O-CG2 3.33Å; F677-V681 PolarHBondContact O-N 2.96Å; G678-V681 PolarHBondContact O-N 3.48Å; V681-S683 PolarHBondContact O-N 3.34Å; V681-L684 PolarHBondContact O-N 3.46Å; V681-I685 HydrophobicContact CG1-CD1 3.82Å; V681-I685 HydrophobicContact CG1-CG1 4.49Å; V681-I685 VanDerWaalsContact O-CG1 3.32Å; V681-I685 WeakPolarHBondContact O-CG1 3.49Å; V681-I685 PolarHBondContact O-N 2.83Å
682	F	97.5	Very high	96.7	Very high	128 Å²	128	90 Å²	90	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-60	-47	176.8	-179	-101.9	0	0	0	111.6	G678 I679 L680 L684 I685 V686	G678-F682 VanDerWaalsContact O-CB 3.26Å; G678-F682 WeakPolarHBondContact O-CB 3.13Å; G678-F682 PolarHBondContact O-N 3.31Å; I679-F682 HydrophobicContact CD1-CD1 4.35Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.22Å; F682-L684 VanDerWaalsContact C-N 3.35Å; F682-L684 PolarHBondContact O-N 2.77Å; F682-I685 PolarHBondContact O-N 2.83Å; F682-V686 HydrophobicContact CD1-CG2 4.17Å; F682-V686 HydrophobicContact CD2-CG2 4.29Å; F682-V686 HydrophobicContact CE1-CG2 3.77Å; F682-V686 HydrophobicContact CE2-CG2 3.9Å; F682-V686 HydrophobicContact CG-CG2 4.41Å; F682-V686 HydrophobicContact CZ-CG2 3.63Å; F682-V686 WeakPolarHBondContact O-CB 3.32Å; F682-V686 VanDerWaalsContact O-CG2 3.32Å; F682-V686 WeakPolarHBondContact O-CG2 3.37Å; F682-V686 PolarHBondContact O-N 3.27Å
683	S	97.4	Very high	96.6	Very high	47 Å²	47	91.9 Å²	91.9	33%	0.329	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-42.3	178.2	72.4	0	0	0	0	112	I679 L680 V681 I685 V686 T687	I679-S683 VanDerWaalsContact O-CB 3.24Å; I679-S683 WeakPolarHBondContact O-CB 3.41Å; I679-S683 PolarHBondContact O-N 2.89Å; I679-S683 PolarHBondContact O-OG 2.82Å; L680-S683 PolarHBondContact O-N 3.08Å; L680-S683 PolarHBondContact O-OG 3.44Å; V681-S683 PolarHBondContact O-N 3.34Å; S683-I685 PolarHBondContact O-N 3.35Å; S683-V686 PolarHBondContact O-N 2.86Å; S683-T687 VanDerWaalsContact O-CB 3.26Å; S683-T687 WeakPolarHBondContact O-CB 3.27Å; S683-T687 PolarHBondContact O-N 3.49Å; S683-T687 PolarHBondContact O-OG1 3.36Å
684	L	97.3	Very high	96.3	Very high	106 Å²	106	88.6 Å²	88.6	56%	0.555	49%	0.49	S	S	*	.	H	α-helix	trans	-63	-43.4	177.7	-72.8	171.9	0	0	0	111.9	L680 V681 F682 Y688	L680-L684 HydrophobicContact CD1-CD1 4.24Å; L680-L684 HydrophobicContact CD1-CG 4.38Å; L680-L684 HydrophobicContact CG-CD1 4.19Å; L680-L684 WeakPolarHBondContact O-CG 3.19Å; L680-L684 PolarHBondContact O-N 3.29Å; V681-L684 PolarHBondContact O-N 3.46Å; F682-L684 VanDerWaalsContact C-N 3.35Å; F682-L684 PolarHBondContact O-N 2.77Å; L684-Y688 WeakPolarHBondContact O-CB 3.26Å; L684-Y688 PolarHBondContact O-N 2.96Å
685	I	96.9	Very high	95.7	Very high	96 Å²	96	90.4 Å²	90.4	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-49	177.1	-67.5	168.5	0	0	0	110.3	V681 F682 S683 Y688 C689	V681-I685 HydrophobicContact CG1-CD1 3.82Å; V681-I685 HydrophobicContact CG1-CG1 4.49Å; V681-I685 VanDerWaalsContact O-CG1 3.32Å; V681-I685 WeakPolarHBondContact O-CG1 3.49Å; V681-I685 PolarHBondContact O-N 2.83Å; F682-I685 PolarHBondContact O-N 2.83Å; S683-I685 PolarHBondContact O-N 3.35Å; I685-Y688 PolarHBondContact O-N 3.28Å; I685-C689 WeakPolarHBondContact O-CB 3.46Å; I685-C689 PolarHBondContact O-N 2.89Å; I685-C689 PolarHBondContact O-SG 3.46Å
686	V	97	Very high	95.3	Very high	55 Å²	55	90.9 Å²	90.9	33%	0.333	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-47.7	-179.3	171.3	0	0	0	0	110.7	F682 S683 Y688 C689 I690	F682-V686 HydrophobicContact CD1-CG2 4.17Å; F682-V686 HydrophobicContact CD2-CG2 4.29Å; F682-V686 HydrophobicContact CE1-CG2 3.77Å; F682-V686 HydrophobicContact CE2-CG2 3.9Å; F682-V686 HydrophobicContact CG-CG2 4.41Å; F682-V686 HydrophobicContact CZ-CG2 3.63Å; F682-V686 WeakPolarHBondContact O-CB 3.32Å; F682-V686 VanDerWaalsContact O-CG2 3.32Å; F682-V686 WeakPolarHBondContact O-CG2 3.37Å; F682-V686 PolarHBondContact O-N 3.27Å; S683-V686 PolarHBondContact O-N 2.86Å; V686-Y688 VanDerWaalsContact C-N 3.34Å; V686-Y688 PolarHBondContact O-N 2.85Å; V686-C689 PolarHBondContact O-N 3.18Å; V686-I690 HydrophobicContact CG1-CD1 3.66Å; V686-I690 HydrophobicContact CG1-CG1 4.34Å; V686-I690 WeakPolarHBondContact O-CB 3.45Å; V686-I690 VanDerWaalsContact O-CG1 3.26Å; V686-I690 WeakPolarHBondContact O-CG1 3.36Å; V686-I690 PolarHBondContact O-N 2.99Å
687	T	96.8	Very high	94.8	Very high	91 Å²	91	93.9 Å²	93.9	56%	0.558	51%	0.511	S	S	*	.	H	α-helix	trans	-61.2	-42.2	176.2	-61.6	0	0	0	0	111.5	S683 I690 N691	S683-T687 VanDerWaalsContact O-CB 3.26Å; S683-T687 WeakPolarHBondContact O-CB 3.27Å; S683-T687 PolarHBondContact O-N 3.49Å; S683-T687 PolarHBondContact O-OG1 3.36Å; T687-I690 PolarHBondContact O-N 3.23Å; T687-N691 VanDerWaalsContact O-CB 3.26Å; T687-N691 WeakPolarHBondContact O-CB 3.36Å; T687-N691 PolarHBondContact O-N 3.38Å
688	Y	96.2	Very high	94.3	Very high	170 Å²	170	95 Å²	95	67%	0.667	52%	0.515	S	S	*	.	H	α-helix	trans	-61.2	-46.9	175.8	176.8	-96.9	0	0	0	111.8	L684 I685 V686 N691 A692	L684-Y688 WeakPolarHBondContact O-CB 3.26Å; L684-Y688 PolarHBondContact O-N 2.96Å; I685-Y688 PolarHBondContact O-N 3.28Å; V686-Y688 VanDerWaalsContact C-N 3.34Å; V686-Y688 PolarHBondContact O-N 2.85Å; Y688-N691 PolarHBondContact O-N 2.88Å; Y688-A692 VanDerWaalsContact O-CB 3.27Å; Y688-A692 WeakPolarHBondContact O-CB 3.26Å; Y688-A692 PolarHBondContact O-N 3.18Å
689	C	95.6	Very high	93.6	Very high	66 Å²	66	99.5 Å²	99.5	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-41.6	178.5	-71.9	0	0	0	0	112.5	I685 V686 A692 K693	I685-C689 WeakPolarHBondContact O-CB 3.46Å; I685-C689 PolarHBondContact O-N 2.89Å; I685-C689 PolarHBondContact O-SG 3.46Å; V686-C689 PolarHBondContact O-N 3.18Å; C689-A692 PolarHBondContact O-N 3.17Å; C689-K693 WeakPolarHBondContact O-CB 3.45Å; C689-K693 WeakPolarHBondContact O-CG 3.36Å; C689-K693 PolarHBondContact O-N 3.21Å; C689-K693 VanDerWaalsContact O-N 3.08Å
690	I	95.1	Very high	92.3	Very high	75 Å²	75	98.3 Å²	98.3	39%	0.385	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-46.1	175.1	-70	169.7	0	0	0	109.9	V686 T687 K693 A694 L697 F698	V686-I690 HydrophobicContact CG1-CD1 3.66Å; V686-I690 HydrophobicContact CG1-CG1 4.34Å; V686-I690 WeakPolarHBondContact O-CB 3.45Å; V686-I690 VanDerWaalsContact O-CG1 3.26Å; V686-I690 WeakPolarHBondContact O-CG1 3.36Å; V686-I690 PolarHBondContact O-N 2.99Å; T687-I690 PolarHBondContact O-N 3.23Å; I690-K693 CarbonylContact O-C 3.32Å; I690-K693 PolarHBondContact O-N 3.45Å; I690-A694 WeakPolarHBondContact O-CA 3.4Å; I690-A694 PolarHBondContact O-N 2.87Å; I690-L697 HydrophobicContact CG1-CD1 4.48Å; I690-L697 HydrophobicContact CG2-CD1 4.33Å; I690-F698 HydrophobicContact CG2-CE2 4.06Å; I690-F698 HydrophobicContact CG2-CZ 4.43Å
691	N	94.8	Very high	90.5	Very high	122 Å²	122	100.1 Å²	100.1	65%	0.652	55%	0.551	S	S	*	*	H	α-helix	trans	-63.3	-44.6	178.3	-169.5	34.2	0	0	0	111.7	T687 Y688 K693 A694	T687-N691 VanDerWaalsContact O-CB 3.26Å; T687-N691 WeakPolarHBondContact O-CB 3.36Å; T687-N691 PolarHBondContact O-N 3.38Å; Y688-N691 PolarHBondContact O-N 2.88Å; N691-K693 PolarHBondContact O-N 3.28Å; N691-K693 VanDerWaalsContact O-N 3.17Å; N691-A694 WeakPolarHBondContact O-CB 3.46Å; N691-A694 PolarHBondContact O-N 2.87Å
692	A	93.9	Very high	88.4	Confident	65 Å²	65	108 Å²	108	54%	0.537	57%	0.572	S	S	.	*	H	α-helix	trans	-63.8	-20.4	177	0	0	0	0	0	113.5	Y688 C689	Y688-A692 VanDerWaalsContact O-CB 3.27Å; Y688-A692 WeakPolarHBondContact O-CB 3.26Å; Y688-A692 PolarHBondContact O-N 3.18Å; C689-A692 PolarHBondContact O-N 3.17Å
693	K	92.9	Very high	86.3	Confident	129 Å²	129	110.5 Å²	110.5	56%	0.561	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	15.1	178	-62.6	-61.5	-176	-175.6	0	112.9	C689 I690 N691 D695 V696 L697	C689-K693 WeakPolarHBondContact O-CB 3.45Å; C689-K693 WeakPolarHBondContact O-CG 3.36Å; C689-K693 PolarHBondContact O-N 3.21Å; C689-K693 VanDerWaalsContact O-N 3.08Å; I690-K693 CarbonylContact O-C 3.32Å; I690-K693 PolarHBondContact O-N 3.45Å; N691-K693 PolarHBondContact O-N 3.28Å; N691-K693 VanDerWaalsContact O-N 3.17Å; K693-D695 VanDerWaalsContact C-N 3.31Å; K693-D695 PolarHBondContact O-N 3.29Å; K693-V696 PolarHBondContact O-N 3Å; K693-L697 HydrophobicContact CB-CD1 3.8Å; K693-L697 HydrophobicContact CB-CG 4.04Å; K693-L697 WeakPolarHBondContact O-CB 3.47Å; K693-L697 WeakPolarHBondContact O-CG 3.42Å; K693-L697 PolarHBondContact O-N 3.04Å
694	A	90.8	Very high	84	Confident	28 Å²	28	114.6 Å²	114.6	23%	0.231	61%	0.611	C	S	.	*	H	α-helix	trans	-58.5	-42.3	-172.8	0	0	0	0	0	112.2	I690 N691 V696 L697 F698	I690-A694 WeakPolarHBondContact O-CA 3.4Å; I690-A694 PolarHBondContact O-N 2.87Å; N691-A694 WeakPolarHBondContact O-CB 3.46Å; N691-A694 PolarHBondContact O-N 2.87Å; A694-V696 PolarHBondContact O-N 3.21Å; A694-L697 PolarHBondContact O-N 3.11Å; A694-F698 HydrophobicContact CB-CD2 4.26Å; A694-F698 WeakPolarHBondContact O-CB 3.48Å; A694-F698 WeakPolarHBondContact O-CD2 3.41Å; A694-F698 PolarHBondContact O-N 3.32Å
695	D	86.3	Confident	81.6	Confident	155 Å²	155	112.8 Å²	112.8	83%	0.829	62%	0.618	S	S	*	*	H	α-helix	trans	-64.8	-22.8	179.1	-59.3	-35	0	0	0	113.6	K693	K693-D695 VanDerWaalsContact C-N 3.31Å; K693-D695 PolarHBondContact O-N 3.29Å
696	V	88.5	Confident	78.8	Confident	103 Å²	103	113.4 Å²	113.4	62%	0.624	64%	0.637	S	S	*	*	H	α-helix	trans	-92.3	-39.4	177.5	-178.6	0	0	0	0	110.9	K693 A694 I699	K693-V696 PolarHBondContact O-N 3Å; A694-V696 PolarHBondContact O-N 3.21Å; V696-I699 WeakPolarHBondContact O-CG1 3.38Å
697	L	87.1	Confident	76.3	Confident	99 Å²	99	116.9 Å²	116.9	52%	0.518	66%	0.658	S	S	.	*	H	α-helix	trans	-76.5	-29.7	-176.9	-69	171.9	0	0	0	112.3	I690 K693 A694	I690-L697 HydrophobicContact CG1-CD1 4.48Å; I690-L697 HydrophobicContact CG2-CD1 4.33Å; K693-L697 HydrophobicContact CB-CD1 3.8Å; K693-L697 HydrophobicContact CB-CG 4.04Å; K693-L697 WeakPolarHBondContact O-CB 3.47Å; K693-L697 WeakPolarHBondContact O-CG 3.42Å; K693-L697 PolarHBondContact O-N 3.04Å; A694-L697 PolarHBondContact O-N 3.11Å
698	F	87.1	Confident	73.5	Confident	148 Å²	148	117.8 Å²	117.8	65%	0.649	67%	0.668	S	S	*	*			trans	-121.8	74.2	-176.4	-55.2	-69.6	0	0	0	111.1	I690 A694	I690-F698 HydrophobicContact CG2-CE2 4.06Å; I690-F698 HydrophobicContact CG2-CZ 4.43Å; A694-F698 HydrophobicContact CB-CD2 4.26Å; A694-F698 WeakPolarHBondContact O-CB 3.48Å; A694-F698 WeakPolarHBondContact O-CD2 3.41Å; A694-F698 PolarHBondContact O-N 3.32Å
699	I	82.4	Confident	70.7	Confident	136 Å²	136	123.8 Å²	123.8	70%	0.697	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-87.8	123.3	174.2	-40.7	171.7	0	0	0	108.4	V696	V696-I699 WeakPolarHBondContact O-CG1 3.38Å
700	A	69.5	Low	69.5	Low	79 Å²	79	126.7 Å²	126.7	65%	0.653	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-67.5	136.2	169.4	0	0	0	0	0	109.6	R702	A700-R702 PolarHBondContact O-N 3.14Å; A700-R702 VanDerWaalsContact O-N 3.13Å
701	P	60	Low	68.1	Low	125 Å²	125	129.4 Å²	129.4	81%	0.812	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-57.9	122.4	171	-12.3	24.1	0	0	0	108.3	E703	P701-E703 PolarHBondContact O-N 3.13Å; P701-E703 VanDerWaalsContact O-N 3.14Å
702	R	52.9	Low	66.6	Low	246 Å²	246	129.8 Å²	129.8	93%	0.928	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-60.2	117.3	170.2	-81.6	-179.6	172.2	164.3	-2.2	107.9	A700	A700-R702 PolarHBondContact O-N 3.14Å; A700-R702 VanDerWaalsContact O-N 3.13Å
703	E	54.3	Low	65	Low	180 Å²	180	133.6 Å²	133.6	84%	0.841	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-55.7	134.6	164.8	-75	-171.3	156.8	0	0	109.2	P701 G705	P701-E703 PolarHBondContact O-N 3.13Å; P701-E703 VanDerWaalsContact O-N 3.14Å; E703-G705 PolarHBondContact O-N 3.38Å
704	P	48.7	Very low	63.3	Low	132 Å²	132	133.9 Å²	133.9	86%	0.857	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-64.4	129.8	176.2	25.2	-29.3	0	0	0	109.3
705	G	45.9	Very low	61.4	Low	68 Å²	68	141 Å²	141	70%	0.701	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-62.2	143.6	-158.5	0	0	0	0	0	116.3	E703 V707	E703-G705 PolarHBondContact O-N 3.38Å; G705-V707 PolarHBondContact O-N 3.36Å
706	A	39.4	Very low	59.7	Low	109 Å²	109	140 Å²	140	90%	0.901	78%	0.778	S	S	*	*			trans	-75.2	108.7	157.7	0	0	0	0	0	108.7
707	V	43.8	Very low	57.4	Low	128 Å²	128	142.8 Å²	142.8	78%	0.776	79%	0.79	S	S	*	*			trans	-72.2	125.5	169.2	-179.7	0	0	0	0	108.3	G705	G705-V707 PolarHBondContact O-N 3.36Å
708	S	38.8	Very low	55	Low	110 Å²	110	146.5 Å²	146.5	77%	0.769	81%	0.812	S	S	*	*			trans	-75.2	128	169.3	50.3	0	0	0	0	111.1
709	Y	36.8	Very low	52.1	Low	297 Å²	297	146.4 Å²	146.4	100%	1.165	83%	0.827	S	S	*	*			trans	-113.2	0	150.6	-98.4	-74.1	0	0	0	108.9

Retrieved 709 of 709 residues in 396.9 ms (Link to these results)

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