G4V8H4_SCHMA Loading...

Putative abc1 family

AlphaFold DB , UniProt , Accession G4V8H4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.4	Low	56	Low	203 Å²	203	129.5 Å²	129.5	100%	1	64%	0.639	S	S	*	*				0	-54.3	0	-151.4	178.8	-89.2	0	0	112.1	R3 R4 L5	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.76Å; M1-R4 PolarHBondContact O-N 3.37Å; M1-R4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.39Å
2	Q	54.3	Low	55.3	Low	164 Å²	164	126.6 Å²	126.6	77%	0.766	63%	0.627	S	S	*	*	H	α-helix	trans	-49	-42.2	176.2	-99.1	171.2	-26.2	0	0	115.1	R4 L5 N6	Q2-R4 PolarHBondContact O-N 3.29Å; Q2-L5 WeakPolarHBondContact O-CB 3.38Å; Q2-L5 PolarHBondContact O-N 2.83Å; Q2-N6 PolarHBondContact O-N 3.15Å
3	R	61.9	Low	55.2	Low	206 Å²	206	132.5 Å²	132.5	78%	0.777	64%	0.638	S	S	*	*	H	α-helix	trans	-60.6	-45	178.9	-153.7	173.8	-175	169.7	1.2	112.6	M1 L5 N6 D7	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.76Å; R3-L5 VanDerWaalsContact C-N 3.33Å; R3-L5 PolarHBondContact O-N 3.37Å; R3-N6 PolarHBondContact O-N 2.78Å; R3-D7 PolarHBondContact O-N 2.67Å
4	R	51.2	Low	54.9	Low	206 Å²	206	125.6 Å²	125.6	78%	0.777	62%	0.618	S	S	*	*	H	α-helix	trans	-63.5	-36.6	174.6	-75.6	-171.2	171.7	-178	-2.6	112.5	M1 Q2 D7 L8	M1-R4 PolarHBondContact O-N 3.37Å; M1-R4 VanDerWaalsContact O-N 3.12Å; Q2-R4 PolarHBondContact O-N 3.29Å; R4-D7 PolarHBondContact O-N 2.78Å; R4-L8 WeakPolarHBondContact O-CB 3.39Å; R4-L8 PolarHBondContact O-N 2.92Å
5	L	46.9	Very low	54.4	Low	104 Å²	104	123 Å²	123	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-65.9	-39.2	175.8	-113.6	153.2	0	0	0	111.8	M1 Q2 R3 N9	M1-L5 PolarHBondContact O-N 3.39Å; Q2-L5 WeakPolarHBondContact O-CB 3.38Å; Q2-L5 PolarHBondContact O-N 2.83Å; R3-L5 VanDerWaalsContact C-N 3.33Å; R3-L5 PolarHBondContact O-N 3.37Å; L5-N9 WeakPolarHBondContact O-CB 3.36Å; L5-N9 PolarHBondContact O-N 3.31Å
6	N	63.6	Low	53.5	Low	111 Å²	111	117.4 Å²	117.4	59%	0.594	59%	0.59	S	S	*	*	H	α-helix	trans	-68	-41.8	174.5	-78	-10.6	0	0	0	112.4	Q2 R3 L8 N9 G10	Q2-N6 PolarHBondContact O-N 3.15Å; R3-N6 PolarHBondContact O-N 2.78Å; N6-L8 VanDerWaalsContact C-N 3.33Å; N6-L8 PolarHBondContact O-N 2.62Å; N6-N9 PolarHBondContact O-N 3.18Å; N6-G10 PolarHBondContact O-N 3.39Å
7	D	62.5	Low	53.7	Low	101 Å²	101	116.4 Å²	116.4	54%	0.54	59%	0.591	S	S	.	*	H	α-helix	trans	-61.9	-42.8	175.8	-65.5	-25	0	0	0	110.9	R3 R4 G10 V11	R3-D7 PolarHBondContact O-N 2.67Å; R4-D7 PolarHBondContact O-N 2.78Å; D7-G10 WeakPolarHBondContact O-CA 3.14Å; D7-G10 PolarHBondContact O-N 3.06Å; D7-G10 VanDerWaalsContact O-N 3.14Å; D7-V11 WeakPolarHBondContact O-CG2 3.48Å; D7-V11 PolarHBondContact O-N 2.81Å
8	L	54	Low	53.3	Low	108 Å²	108	115.1 Å²	115.1	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-65.3	-40.9	177.8	-150.9	155.3	0	0	0	111.6	R4 N6 G10 V11 L12	R4-L8 WeakPolarHBondContact O-CB 3.39Å; R4-L8 PolarHBondContact O-N 2.92Å; N6-L8 VanDerWaalsContact C-N 3.33Å; N6-L8 PolarHBondContact O-N 2.62Å; L8-G10 VanDerWaalsContact C-N 3.32Å; L8-G10 PolarHBondContact O-N 3.06Å; L8-V11 PolarHBondContact O-N 3.39Å; L8-L12 HydrophobicContact CD2-CD1 3.62Å; L8-L12 HydrophobicContact CD2-CG 4.06Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 2.85Å
9	N	56.2	Low	52.7	Low	87 Å²	87	114.1 Å²	114.1	47%	0.465	59%	0.585	S	S	.	*	H	α-helix	trans	-63.3	-36.1	171.3	-92.2	-18.9	0	0	0	112.7	L5 N6 R13	L5-N9 WeakPolarHBondContact O-CB 3.36Å; L5-N9 PolarHBondContact O-N 3.31Å; N6-N9 PolarHBondContact O-N 3.18Å; N9-R13 WeakPolarHBondContact O-CB 3.5Å; N9-R13 PolarHBondContact O-N 3.46Å
10	G	56.4	Low	52.6	Low	43 Å²	43	114.3 Å²	114.3	44%	0.443	59%	0.587	S	S	.	*	H	α-helix	trans	-62.8	-46.8	173.6	0	0	0	0	0	112.1	N6 D7 L8 R13 G14	N6-G10 PolarHBondContact O-N 3.39Å; D7-G10 WeakPolarHBondContact O-CA 3.14Å; D7-G10 PolarHBondContact O-N 3.06Å; D7-G10 VanDerWaalsContact O-N 3.14Å; L8-G10 VanDerWaalsContact C-N 3.32Å; L8-G10 PolarHBondContact O-N 3.06Å; G10-R13 PolarHBondContact O-N 3.42Å; G10-G14 PolarHBondContact O-N 2.84Å
11	V	58.9	Low	52.5	Low	92 Å²	92	111.6 Å²	111.6	56%	0.558	58%	0.582	S	S	*	*	H	α-helix	trans	-62.5	-45.7	175.8	173.4	0	0	0	0	111.1	D7 L8 R13 G14 I15	D7-V11 WeakPolarHBondContact O-CG2 3.48Å; D7-V11 PolarHBondContact O-N 2.81Å; L8-V11 PolarHBondContact O-N 3.39Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.8Å; V11-G14 PolarHBondContact O-N 3.48Å; V11-G14 VanDerWaalsContact O-N 3.12Å; V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.36Å; V11-I15 WeakPolarHBondContact O-CG1 3.47Å; V11-I15 PolarHBondContact O-N 3.44Å
12	L	46.9	Very low	52.3	Low	94 Å²	94	105.1 Å²	105.1	49%	0.492	55%	0.554	S	S	.	*	H	α-helix	trans	-61.4	-40.2	177.3	-76	170.4	0	0	0	112.2	L8 G16	L8-L12 HydrophobicContact CD2-CD1 3.62Å; L8-L12 HydrophobicContact CD2-CG 4.06Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 2.85Å; L12-G16 PolarHBondContact O-N 2.84Å
13	R	55.2	Low	51.9	Low	204 Å²	204	101.5 Å²	101.5	77%	0.77	54%	0.54	S	S	*	.	H	α-helix	trans	-63.1	-43.7	172	-84.3	-176.6	174.7	171.8	-0.6	111.8	N9 G10 V11 G16 V17	N9-R13 WeakPolarHBondContact O-CB 3.5Å; N9-R13 PolarHBondContact O-N 3.46Å; G10-R13 PolarHBondContact O-N 3.42Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.8Å; R13-G16 PolarHBondContact O-N 3.41Å; R13-V17 WeakPolarHBondContact O-CG2 3.36Å; R13-V17 PolarHBondContact O-N 3.4Å
14	G	49.7	Very low	51.4	Low	35 Å²	35	98.9 Å²	98.9	36%	0.361	53%	0.534	S	S	.	.	H	α-helix	trans	-59.2	-47.2	176.4	0	0	0	0	0	112.4	G10 V11 G16 V17 V18	G10-G14 PolarHBondContact O-N 2.84Å; V11-G14 PolarHBondContact O-N 3.48Å; V11-G14 VanDerWaalsContact O-N 3.12Å; G14-G16 VanDerWaalsContact C-N 3.32Å; G14-G16 PolarHBondContact O-N 2.89Å; G14-V17 PolarHBondContact O-N 2.79Å; G14-V18 WeakPolarHBondContact O-CG2 3.24Å; G14-V18 PolarHBondContact O-N 3.21Å
15	I	47.9	Very low	51.5	Low	87 Å²	87	92.8 Å²	92.8	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-42.9	174.7	-67.5	168.8	0	0	0	110.6	V11 V17 V18 L19	V11-I15 HydrophobicContact CG1-CD1 3.79Å; V11-I15 HydrophobicContact CG1-CG1 4.36Å; V11-I15 WeakPolarHBondContact O-CG1 3.47Å; V11-I15 PolarHBondContact O-N 3.44Å; I15-V17 VanDerWaalsContact C-N 3.34Å; I15-V17 PolarHBondContact O-N 2.79Å; I15-V18 PolarHBondContact O-N 3.36Å; I15-L19 HydrophobicContact CG2-CD1 3.7Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CB 3.46Å; I15-L19 WeakPolarHBondContact O-CG 3.31Å; I15-L19 PolarHBondContact O-N 2.77Å
16	G	40.2	Very low	51.6	Low	33 Å²	33	92.1 Å²	92.1	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-59.7	-40.4	176.1	0	0	0	0	0	113.3	L12 R13 G14 N20	L12-G16 PolarHBondContact O-N 2.84Å; R13-G16 PolarHBondContact O-N 3.41Å; G14-G16 VanDerWaalsContact C-N 3.32Å; G14-G16 PolarHBondContact O-N 2.89Å; G16-N20 WeakPolarHBondContact O-CB 3.5Å; G16-N20 PolarHBondContact O-N 2.89Å
17	V	57.3	Low	50.8	Low	101 Å²	101	89.9 Å²	89.9	61%	0.612	50%	0.504	S	S	*	.	H	α-helix	trans	-66.4	-46.2	175.8	172.7	0	0	0	0	111.1	R13 G14 I15 N20 A21	R13-V17 WeakPolarHBondContact O-CG2 3.36Å; R13-V17 PolarHBondContact O-N 3.4Å; G14-V17 PolarHBondContact O-N 2.79Å; I15-V17 VanDerWaalsContact C-N 3.34Å; I15-V17 PolarHBondContact O-N 2.79Å; V17-N20 PolarHBondContact O-N 3.44Å; V17-A21 WeakPolarHBondContact O-CB 3.12Å; V17-A21 PolarHBondContact O-N 3.02Å
18	V	46.6	Very low	50.3	Low	93 Å²	93	89.2 Å²	89.2	56%	0.564	50%	0.503	S	S	*	.	H	α-helix	trans	-63.9	-42.8	178.6	175	0	0	0	0	111.1	G14 I15 A21 T22	G14-V18 WeakPolarHBondContact O-CG2 3.24Å; G14-V18 PolarHBondContact O-N 3.21Å; I15-V18 PolarHBondContact O-N 3.36Å; V18-A21 PolarHBondContact O-N 3.32Å; V18-T22 WeakPolarHBondContact O-CB 3.34Å; V18-T22 PolarHBondContact O-N 2.91Å; V18-T22 PolarHBondContact O-OG1 2.99Å
19	L	41.8	Very low	50	Low	95 Å²	95	89.9 Å²	89.9	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-61	-48	175	-84	165	0	0	0	111.4	I15 A21 T22 L23	I15-L19 HydrophobicContact CG2-CD1 3.7Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CB 3.46Å; I15-L19 WeakPolarHBondContact O-CG 3.31Å; I15-L19 PolarHBondContact O-N 2.77Å; L19-A21 PolarHBondContact O-N 3.08Å; L19-T22 PolarHBondContact O-N 3.31Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 VanDerWaalsContact O-CG 3.25Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.11Å
20	N	50.5	Low	49.6	Very low	118 Å²	118	88.3 Å²	88.3	63%	0.631	50%	0.501	S	S	*	.	H	α-helix	trans	-63.6	-40.8	177.9	-102.1	-14.6	0	0	0	112.1	G16 V17 K24	G16-N20 WeakPolarHBondContact O-CB 3.5Å; G16-N20 PolarHBondContact O-N 2.89Å; V17-N20 PolarHBondContact O-N 3.44Å; N20-K24 WeakPolarHBondContact O-CB 3.19Å; N20-K24 PolarHBondContact O-N 2.82Å
21	A	51.1	Low	49.3	Very low	58 Å²	58	89.9 Å²	89.9	48%	0.479	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-43.9	176.4	0	0	0	0	0	111.5	V17 V18 L19 K24 D25	V17-A21 WeakPolarHBondContact O-CB 3.12Å; V17-A21 PolarHBondContact O-N 3.02Å; V18-A21 PolarHBondContact O-N 3.32Å; L19-A21 PolarHBondContact O-N 3.08Å; A21-K24 PolarHBondContact O-N 2.94Å; A21-D25 PolarHBondContact O-N 3.32Å
22	T	45.1	Very low	48.9	Very low	68 Å²	68	92.6 Å²	92.6	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-67.4	-42.8	178.8	-51.2	0	0	0	0	111.3	V18 L19 K24 D25 Q26	V18-T22 WeakPolarHBondContact O-CB 3.34Å; V18-T22 PolarHBondContact O-N 2.91Å; V18-T22 PolarHBondContact O-OG1 2.99Å; L19-T22 PolarHBondContact O-N 3.31Å; T22-K24 VanDerWaalsContact C-N 3.3Å; T22-K24 PolarHBondContact O-N 3.29Å; T22-D25 PolarHBondContact O-N 3.02Å; T22-Q26 HydrophobicContact CG2-CG 4.46Å; T22-Q26 WeakPolarHBondContact O-CB 3.36Å; T22-Q26 WeakPolarHBondContact O-CG 3.26Å; T22-Q26 PolarHBondContact O-N 3.19Å
23	L	45.7	Very low	49	Very low	88 Å²	88	90.7 Å²	90.7	46%	0.461	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-38	173.8	-75.7	169.3	0	0	0	111.3	L19 S27	L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 VanDerWaalsContact O-CG 3.25Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.11Å; L23-S27 WeakPolarHBondContact O-CB 3.46Å; L23-S27 PolarHBondContact O-N 3.41Å; L23-S27 PolarHBondContact O-OG 2.91Å
24	K	52.3	Low	48.6	Very low	151 Å²	151	86.8 Å²	86.8	66%	0.657	49%	0.488	S	S	*	.	H	α-helix	trans	-68.7	-45.8	176.5	-160.3	174.6	-176.8	-178.1	0	111.3	N20 A21 T22 S27 V28	N20-K24 WeakPolarHBondContact O-CB 3.19Å; N20-K24 PolarHBondContact O-N 2.82Å; A21-K24 PolarHBondContact O-N 2.94Å; T22-K24 VanDerWaalsContact C-N 3.3Å; T22-K24 PolarHBondContact O-N 3.29Å; K24-S27 WeakPolarHBondContact CA-OG 3.38Å; K24-S27 PolarHBondContact O-N 3.26Å; K24-S27 PolarHBondContact O-OG 3.48Å; K24-V28 WeakPolarHBondContact O-CB 3.34Å; K24-V28 WeakPolarHBondContact O-CG2 3.48Å; K24-V28 PolarHBondContact O-N 2.83Å
25	D	53.3	Low	48.8	Very low	77 Å²	77	88 Å²	88	41%	0.412	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-45.4	175.9	-178.3	61.7	0	0	0	111.8	A21 T22 V28 K29	A21-D25 PolarHBondContact O-N 3.32Å; T22-D25 PolarHBondContact O-N 3.02Å; D25-V28 PolarHBondContact O-N 3.01Å; D25-K29 WeakPolarHBondContact O-CB 3.16Å; D25-K29 WeakPolarHBondContact O-CG 3.28Å; D25-K29 PolarHBondContact O-N 2.67Å; D25-K29 IonicContact OD1-NZ 2.62Å; D25-K29 VanDerWaalsContact OD2-CE 3.31Å; D25-K29 WeakPolarHBondContact OD2-CE 3.44Å; D25-K29 IonicContact OD2-NZ 3.75Å; D25-K29 PolarHBondContact OD2-NZ 2.84Å
26	Q	47.6	Very low	49.1	Very low	90 Å²	90	90.6 Å²	90.6	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-69.5	-37.9	178.1	-72.7	-155.9	-3.1	0	0	112.8	T22 V28 K29 A30	T22-Q26 HydrophobicContact CG2-CG 4.46Å; T22-Q26 WeakPolarHBondContact O-CB 3.36Å; T22-Q26 WeakPolarHBondContact O-CG 3.26Å; T22-Q26 PolarHBondContact O-N 3.19Å; Q26-V28 VanDerWaalsContact C-N 3.34Å; Q26-K29 PolarHBondContact O-N 3.35Å; Q26-A30 WeakPolarHBondContact O-CB 3.45Å; Q26-A30 PolarHBondContact O-N 3.17Å
27	S	48.2	Very low	49.5	Very low	65 Å²	65	90.8 Å²	90.8	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-67	-35.7	174	60.3	0	0	0	0	111.8	L23 K24 S31	L23-S27 WeakPolarHBondContact O-CB 3.46Å; L23-S27 PolarHBondContact O-N 3.41Å; L23-S27 PolarHBondContact O-OG 2.91Å; K24-S27 WeakPolarHBondContact CA-OG 3.38Å; K24-S27 PolarHBondContact O-N 3.26Å; K24-S27 PolarHBondContact O-OG 3.48Å; S27-S31 WeakPolarHBondContact O-CB 3.43Å; S27-S31 PolarHBondContact O-N 3.26Å
28	V	52.1	Low	49.4	Very low	86 Å²	86	92 Å²	92	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-45.8	171.8	169.5	0	0	0	0	110.6	K24 D25 Q26 S31 W32	K24-V28 WeakPolarHBondContact O-CB 3.34Å; K24-V28 WeakPolarHBondContact O-CG2 3.48Å; K24-V28 PolarHBondContact O-N 2.83Å; D25-V28 PolarHBondContact O-N 3.01Å; Q26-V28 VanDerWaalsContact C-N 3.34Å; V28-S31 PolarHBondContact O-N 3.23Å; V28-W32 VanDerWaalsContact O-CB 3.24Å; V28-W32 WeakPolarHBondContact O-CB 3.47Å; V28-W32 PolarHBondContact O-N 3.09Å
29	K	47.5	Very low	49.5	Very low	123 Å²	123	92 Å²	92	54%	0.535	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-42.1	175.9	-77.5	172.8	178.7	160.4	0	112.6	D25 Q26 W32 A33	D25-K29 WeakPolarHBondContact O-CB 3.16Å; D25-K29 WeakPolarHBondContact O-CG 3.28Å; D25-K29 PolarHBondContact O-N 2.67Å; D25-K29 IonicContact OD1-NZ 2.62Å; D25-K29 VanDerWaalsContact OD2-CE 3.31Å; D25-K29 WeakPolarHBondContact OD2-CE 3.44Å; D25-K29 IonicContact OD2-NZ 3.75Å; D25-K29 PolarHBondContact OD2-NZ 2.84Å; Q26-K29 PolarHBondContact O-N 3.35Å; K29-W32 PolarHBondContact O-N 3.42Å; K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.47Å; K29-A33 PolarHBondContact O-N 2.86Å
30	A	48.4	Very low	49.9	Very low	54 Å²	54	93.1 Å²	93.1	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-67.2	-42.6	176.4	0	0	0	0	0	111.2	Q26 W32 A33 W34	Q26-A30 WeakPolarHBondContact O-CB 3.45Å; Q26-A30 PolarHBondContact O-N 3.17Å; A30-W32 VanDerWaalsContact C-N 3.35Å; A30-A33 PolarHBondContact O-N 3.27Å; A30-W34 WeakPolarHBondContact O-CB 3.44Å; A30-W34 PolarHBondContact O-N 3.07Å
31	S	49.1	Very low	50.1	Low	76 Å²	76	91.8 Å²	91.8	53%	0.531	48%	0.482	S	S	.	.	H	α-helix	trans	-62.9	-41.2	174.2	-175.7	0	0	0	0	111.4	S27 V28 W34 S35	S27-S31 WeakPolarHBondContact O-CB 3.43Å; S27-S31 PolarHBondContact O-N 3.26Å; V28-S31 PolarHBondContact O-N 3.23Å; S31-W34 PolarHBondContact O-N 3.1Å; S31-S35 VanDerWaalsContact O-CB 3.3Å; S31-S35 WeakPolarHBondContact O-CB 3.38Å; S31-S35 PolarHBondContact O-N 2.93Å
32	W	50.9	Low	50.2	Low	149 Å²	149	92.8 Å²	92.8	56%	0.564	48%	0.482	S	S	*	.	H	α-helix	trans	-65.2	-47.6	174.8	-175.8	85.3	0	0	0	111.8	V28 K29 A30 W34 S35 K36	V28-W32 VanDerWaalsContact O-CB 3.24Å; V28-W32 WeakPolarHBondContact O-CB 3.47Å; V28-W32 PolarHBondContact O-N 3.09Å; K29-W32 PolarHBondContact O-N 3.42Å; A30-W32 VanDerWaalsContact C-N 3.35Å; W32-W34 VanDerWaalsContact C-N 3.3Å; W32-W34 PolarHBondContact O-N 3.36Å; W32-S35 WeakPolarHBondContact CA-OG 3.33Å; W32-S35 PolarHBondContact O-N 3.4Å; W32-S35 PolarHBondContact O-OG 3.42Å; W32-K36 HydrophobicContact CD2-CD 4.45Å; W32-K36 HydrophobicContact CH2-CD 3.88Å; W32-K36 HydrophobicContact CZ2-CD 3.69Å; W32-K36 VanDerWaalsContact CZ2-NZ 3.29Å; W32-K36 HydrophobicContact CZ3-CD 4.32Å; W32-K36 PolarHBondContact O-N 3.02Å
33	A	48.8	Very low	50.3	Low	53 Å²	53	93.1 Å²	93.1	44%	0.438	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-39.9	175.3	0	0	0	0	0	111.5	K29 A30 K36 S37	K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.47Å; K29-A33 PolarHBondContact O-N 2.86Å; A30-A33 PolarHBondContact O-N 3.27Å; A33-K36 CarbonylContact O-C 3.59Å; A33-K36 PolarHBondContact O-N 3.32Å; A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 2.54Å
34	W	47.5	Very low	50.8	Low	122 Å²	122	91.6 Å²	91.6	46%	0.462	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-42.8	174.6	-171.2	84.4	0	0	0	111.6	A30 S31 W32 K36 S37 R40	A30-W34 WeakPolarHBondContact O-CB 3.44Å; A30-W34 PolarHBondContact O-N 3.07Å; S31-W34 PolarHBondContact O-N 3.1Å; W32-W34 VanDerWaalsContact C-N 3.3Å; W32-W34 PolarHBondContact O-N 3.36Å; W34-K36 PolarHBondContact O-N 3Å; W34-S37 PolarHBondContact O-N 3.21Å; W34-S37 VanDerWaalsContact O-N 3.11Å; W34-S37 PolarHBondContact O-OG 3.06Å; W34-R40 HydrophobicContact CH2-CG 3.88Å; W34-R40 HydrophobicContact CZ2-CB 4.39Å; W34-R40 HydrophobicContact CZ2-CG 4.09Å; W34-R40 HydrophobicContact CZ3-CG 4.29Å
35	S	53.5	Low	51	Low	62 Å²	62	89 Å²	89	43%	0.434	47%	0.468	S	S	.	.	H	α-helix	trans	-63.4	-27.2	176.8	78.5	0	0	0	0	113.2	S31 W32	S31-S35 VanDerWaalsContact O-CB 3.3Å; S31-S35 WeakPolarHBondContact O-CB 3.38Å; S31-S35 PolarHBondContact O-N 2.93Å; W32-S35 WeakPolarHBondContact CA-OG 3.33Å; W32-S35 PolarHBondContact O-N 3.4Å; W32-S35 PolarHBondContact O-OG 3.42Å
36	K	53.7	Low	50.8	Low	141 Å²	141	88.8 Å²	88.8	61%	0.613	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-6	175.4	-73.7	-158.1	172.9	-169.1	0	114.2	W32 A33 W34	W32-K36 HydrophobicContact CD2-CD 4.45Å; W32-K36 HydrophobicContact CH2-CD 3.88Å; W32-K36 HydrophobicContact CZ2-CD 3.69Å; W32-K36 VanDerWaalsContact CZ2-NZ 3.29Å; W32-K36 HydrophobicContact CZ3-CD 4.32Å; W32-K36 PolarHBondContact O-N 3.02Å; A33-K36 CarbonylContact O-C 3.59Å; A33-K36 PolarHBondContact O-N 3.32Å; W34-K36 PolarHBondContact O-N 3Å
37	S	49.1	Very low	50.8	Low	36 Å²	36	86.7 Å²	86.7	25%	0.252	46%	0.464	S	S	.	.			trans	-83.8	130.7	-177.2	73.4	0	0	0	0	110.6	A33 W34 F39 R40	A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 2.54Å; W34-S37 PolarHBondContact O-N 3.21Å; W34-S37 VanDerWaalsContact O-N 3.11Å; W34-S37 PolarHBondContact O-OG 3.06Å; S37-F39 PolarHBondContact O-N 3.05Å; S37-R40 PolarHBondContact O-N 2.84Å; S37-R40 VanDerWaalsContact O-N 3.08Å
38	D	55.1	Low	50.9	Low	126 Å²	126	90.1 Å²	90.1	67%	0.674	47%	0.471	S	S	*	.	H	α-helix	trans	-57.5	-15.7	167.8	-58.9	-25.6	0	0	0	111.8	R40 D41 V42	D38-R40 PolarHBondContact O-N 3.22Å; D38-D41 CarbonylContact O-C 3.56Å; D38-D41 WeakPolarHBondContact O-CA 3.39Å; D38-D41 WeakPolarHBondContact O-CB 3.09Å; D38-D41 PolarHBondContact O-N 2.93Å; D38-V42 WeakPolarHBondContact O-CG2 3.36Å; D38-V42 PolarHBondContact O-N 3.21Å
39	F	48.9	Very low	50.8	Low	93 Å²	93	88.6 Å²	88.6	41%	0.408	46%	0.464	S	S	.	.	H	α-helix	trans	-60	-32.7	175.2	-165.9	-100.5	0	0	0	112.6	S37 D41 V42 L43	S37-F39 PolarHBondContact O-N 3.05Å; F39-D41 VanDerWaalsContact C-N 3.34Å; F39-V42 PolarHBondContact O-N 3.26Å; F39-L43 HydrophobicContact CD1-CD1 3.76Å; F39-L43 HydrophobicContact CD1-CG 4.31Å; F39-L43 HydrophobicContact CE1-CD1 3.44Å; F39-L43 VanDerWaalsContact CE1-CD1 3.44Å; F39-L43 HydrophobicContact CE1-CG 3.97Å; F39-L43 HydrophobicContact CZ-CD1 4.33Å; F39-L43 HydrophobicContact CZ-CG 4.46Å; F39-L43 WeakPolarHBondContact O-CB 3.37Å; F39-L43 PolarHBondContact O-N 2.78Å
40	R	49.1	Very low	50.7	Low	119 Å²	119	86.1 Å²	86.1	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-62.2	-45.3	171.6	-178.1	-177.2	177	-170.6	-0.6	110.2	W34 S37 D38 L43 V44	W34-R40 HydrophobicContact CH2-CG 3.88Å; W34-R40 HydrophobicContact CZ2-CB 4.39Å; W34-R40 HydrophobicContact CZ2-CG 4.09Å; W34-R40 HydrophobicContact CZ3-CG 4.29Å; S37-R40 PolarHBondContact O-N 2.84Å; S37-R40 VanDerWaalsContact O-N 3.08Å; D38-R40 PolarHBondContact O-N 3.22Å; R40-L43 PolarHBondContact O-N 2.88Å; R40-V44 HydrophobicContact CG-CG2 4.49Å; R40-V44 WeakPolarHBondContact O-CB 3.41Å; R40-V44 VanDerWaalsContact O-CG2 3.26Å; R40-V44 WeakPolarHBondContact O-CG2 3.25Å; R40-V44 PolarHBondContact O-N 2.86Å
41	D	56.1	Low	50.7	Low	91 Å²	91	87.9 Å²	87.9	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-68.5	-37.3	179.1	-65.2	-33.3	0	0	0	111.5	D38 F39 V44 N45	D38-D41 CarbonylContact O-C 3.56Å; D38-D41 WeakPolarHBondContact O-CA 3.39Å; D38-D41 WeakPolarHBondContact O-CB 3.09Å; D38-D41 PolarHBondContact O-N 2.93Å; F39-D41 VanDerWaalsContact C-N 3.34Å; D41-V44 PolarHBondContact O-N 3.36Å; D41-N45 WeakPolarHBondContact O-CB 2.87Å; D41-N45 PolarHBondContact O-N 3.47Å; D41-N45 PolarHBondContact O-ND2 3.09Å; D41-N45 VanDerWaalsContact O-ND2 3.15Å
42	V	51.5	Low	50.6	Low	79 Å²	79	88 Å²	88	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-61.2	-47	171.8	174.3	0	0	0	0	110.6	D38 F39 N45 V46	D38-V42 WeakPolarHBondContact O-CG2 3.36Å; D38-V42 PolarHBondContact O-N 3.21Å; F39-V42 PolarHBondContact O-N 3.26Å; V42-N45 PolarHBondContact O-N 3.49Å; V42-V46 HydrophobicContact CG1-CG2 4.2Å; V42-V46 VanDerWaalsContact O-CB 3.28Å; V42-V46 WeakPolarHBondContact O-CB 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.15Å; V42-V46 PolarHBondContact O-N 2.75Å
43	L	47.2	Very low	50.4	Low	74 Å²	74	89 Å²	89	39%	0.387	47%	0.474	S	S	.	.	H	α-helix	trans	-63.7	-42.6	177.4	-88.9	170	0	0	0	112.4	F39 R40 S47	F39-L43 HydrophobicContact CD1-CD1 3.76Å; F39-L43 HydrophobicContact CD1-CG 4.31Å; F39-L43 HydrophobicContact CE1-CD1 3.44Å; F39-L43 VanDerWaalsContact CE1-CD1 3.44Å; F39-L43 HydrophobicContact CE1-CG 3.97Å; F39-L43 HydrophobicContact CZ-CD1 4.33Å; F39-L43 HydrophobicContact CZ-CG 4.46Å; F39-L43 WeakPolarHBondContact O-CB 3.37Å; F39-L43 PolarHBondContact O-N 2.78Å; R40-L43 PolarHBondContact O-N 2.88Å; L43-S47 WeakPolarHBondContact O-CB 2.92Å; L43-S47 PolarHBondContact O-N 2.89Å
44	V	56.2	Low	50.3	Low	56 Å²	56	88 Å²	88	34%	0.339	46%	0.461	S	S	.	.	H	α-helix	trans	-66.7	-39	177.1	171.4	0	0	0	0	111	R40 D41 S47 K48	R40-V44 HydrophobicContact CG-CG2 4.49Å; R40-V44 WeakPolarHBondContact O-CB 3.41Å; R40-V44 VanDerWaalsContact O-CG2 3.26Å; R40-V44 WeakPolarHBondContact O-CG2 3.25Å; R40-V44 PolarHBondContact O-N 2.86Å; D41-V44 PolarHBondContact O-N 3.36Å; V44-S47 PolarHBondContact O-N 3.08Å; V44-S47 PolarHBondContact O-OG 3.32Å; V44-K48 HydrophobicContact CG1-CD 4.38Å; V44-K48 WeakPolarHBondContact O-CB 3.47Å; V44-K48 WeakPolarHBondContact O-CG 3.32Å; V44-K48 PolarHBondContact O-N 3.46Å
45	N	56.5	Low	50.3	Low	98 Å²	98	85.5 Å²	85.5	52%	0.524	46%	0.462	S	S	.	.	H	α-helix	trans	-71.5	-39.5	177.5	-74.9	-26.6	0	0	0	111.8	D41 V42 S47 K48 S49	D41-N45 WeakPolarHBondContact O-CB 2.87Å; D41-N45 PolarHBondContact O-N 3.47Å; D41-N45 PolarHBondContact O-ND2 3.09Å; D41-N45 VanDerWaalsContact O-ND2 3.15Å; V42-N45 PolarHBondContact O-N 3.49Å; N45-S47 VanDerWaalsContact C-N 3.35Å; N45-K48 PolarHBondContact O-N 3.24Å; N45-S49 WeakPolarHBondContact O-CB 3.3Å; N45-S49 PolarHBondContact O-N 3.42Å
46	V	49.6	Very low	50.1	Low	72 Å²	72	89.3 Å²	89.3	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-64.7	-41.5	173	169.9	0	0	0	0	110	V42 S49 L50	V42-V46 HydrophobicContact CG1-CG2 4.2Å; V42-V46 VanDerWaalsContact O-CB 3.28Å; V42-V46 WeakPolarHBondContact O-CB 3.31Å; V42-V46 WeakPolarHBondContact O-CG2 3.15Å; V42-V46 PolarHBondContact O-N 2.75Å; V46-S49 PolarHBondContact O-N 3.15Å; V46-L50 HydrophobicContact CG1-CD1 3.75Å; V46-L50 HydrophobicContact CG1-CG 4.49Å; V46-L50 VanDerWaalsContact O-CB 3.31Å; V46-L50 WeakPolarHBondContact O-CB 3.41Å; V46-L50 WeakPolarHBondContact O-CD1 3.33Å; V46-L50 WeakPolarHBondContact O-CG 3.46Å; V46-L50 PolarHBondContact O-N 3.03Å
47	S	46.9	Very low	49.8	Very low	45 Å²	45	90.3 Å²	90.3	32%	0.315	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-42.5	177	93.5	0	0	0	0	112	L43 V44 N45 L50 C51	L43-S47 WeakPolarHBondContact O-CB 2.92Å; L43-S47 PolarHBondContact O-N 2.89Å; V44-S47 PolarHBondContact O-N 3.08Å; V44-S47 PolarHBondContact O-OG 3.32Å; N45-S47 VanDerWaalsContact C-N 3.35Å; S47-L50 PolarHBondContact O-N 3.36Å; S47-C51 WeakPolarHBondContact O-CB 3.44Å; S47-C51 PolarHBondContact O-N 2.93Å; S47-C51 PolarHBondContact O-SG 2.81Å; S47-C51 VanDerWaalsContact O-SG 3.39Å
48	K	50.7	Low	50	Low	137 Å²	137	94.9 Å²	94.9	60%	0.596	51%	0.506	S	S	*	.	H	α-helix	trans	-61.7	-44.2	173	-80.8	-177.8	178.4	-179.9	0	111.7	V44 N45 C51 S52	V44-K48 HydrophobicContact CG1-CD 4.38Å; V44-K48 WeakPolarHBondContact O-CB 3.47Å; V44-K48 WeakPolarHBondContact O-CG 3.32Å; V44-K48 PolarHBondContact O-N 3.46Å; N45-K48 PolarHBondContact O-N 3.24Å; K48-C51 PolarHBondContact O-N 3.24Å; K48-S52 WeakPolarHBondContact O-CB 3.5Å; K48-S52 PolarHBondContact O-N 3.4Å; K48-S52 PolarHBondContact O-OG 3.43Å
49	S	50.5	Low	49.6	Very low	55 Å²	55	94 Å²	94	39%	0.385	50%	0.501	S	S	.	.	H	α-helix	trans	-63.3	-43.8	178.2	-175	0	0	0	0	111.2	N45 V46 S52 K53	N45-S49 WeakPolarHBondContact O-CB 3.3Å; N45-S49 PolarHBondContact O-N 3.42Å; V46-S49 PolarHBondContact O-N 3.15Å; S49-S52 PolarHBondContact O-N 2.91Å; S49-S52 PolarHBondContact O-OG 3.39Å; S49-K53 WeakPolarHBondContact O-CG 3.3Å; S49-K53 PolarHBondContact O-N 2.79Å
50	L	45.8	Very low	49.6	Very low	70 Å²	70	94 Å²	94	37%	0.366	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-51.1	173.8	-79.5	162.3	0	0	0	110.9	V46 S47 S52 K53 I54	V46-L50 HydrophobicContact CG1-CD1 3.75Å; V46-L50 HydrophobicContact CG1-CG 4.49Å; V46-L50 VanDerWaalsContact O-CB 3.31Å; V46-L50 WeakPolarHBondContact O-CB 3.41Å; V46-L50 WeakPolarHBondContact O-CD1 3.33Å; V46-L50 WeakPolarHBondContact O-CG 3.46Å; V46-L50 PolarHBondContact O-N 3.03Å; S47-L50 PolarHBondContact O-N 3.36Å; L50-S52 VanDerWaalsContact C-N 3.28Å; L50-S52 PolarHBondContact O-N 2.79Å; L50-K53 PolarHBondContact O-N 3.36Å; L50-I54 HydrophobicContact CB-CD1 4.34Å; L50-I54 WeakPolarHBondContact O-CD1 3.17Å; L50-I54 WeakPolarHBondContact O-CG1 3.01Å; L50-I54 PolarHBondContact O-N 2.9Å
51	C	48.2	Very low	49.6	Very low	91 Å²	91	95.5 Å²	95.5	62%	0.615	53%	0.525	S	S	*	.	H	α-helix	trans	-56.8	-40.6	177	-77.1	0	0	0	0	112.4	S47 K48 K53 I54	S47-C51 WeakPolarHBondContact O-CB 3.44Å; S47-C51 PolarHBondContact O-N 2.93Å; S47-C51 PolarHBondContact O-SG 2.81Å; S47-C51 VanDerWaalsContact O-SG 3.39Å; K48-C51 PolarHBondContact O-N 3.24Å; C51-K53 VanDerWaalsContact C-N 3.32Å; C51-K53 PolarHBondContact O-N 3.46Å; C51-I54 PolarHBondContact O-N 2.78Å
52	S	47.6	Very low	49.2	Very low	80 Å²	80	93.6 Å²	93.6	56%	0.559	52%	0.516	S	S	*	.	H	α-helix	trans	-67.4	-30.7	177.6	72.3	0	0	0	0	113.3	K48 S49 L50 I54	K48-S52 WeakPolarHBondContact O-CB 3.5Å; K48-S52 PolarHBondContact O-N 3.4Å; K48-S52 PolarHBondContact O-OG 3.43Å; S49-S52 PolarHBondContact O-N 2.91Å; S49-S52 PolarHBondContact O-OG 3.39Å; L50-S52 VanDerWaalsContact C-N 3.28Å; L50-S52 PolarHBondContact O-N 2.79Å; S52-I54 VanDerWaalsContact C-N 3.33Å
53	K	47.1	Very low	48.9	Very low	170 Å²	170	92.2 Å²	92.2	74%	0.739	51%	0.513	S	S	*	.	H	α-helix	trans	-82	-11.2	177.9	-76.6	-177.3	176.7	-177.2	0	113.5	S49 L50 C51	S49-K53 WeakPolarHBondContact O-CG 3.3Å; S49-K53 PolarHBondContact O-N 2.79Å; L50-K53 PolarHBondContact O-N 3.36Å; C51-K53 VanDerWaalsContact C-N 3.32Å; C51-K53 PolarHBondContact O-N 3.46Å
54	I	44.9	Very low	48.9	Very low	30 Å²	30	92.6 Å²	92.6	15%	0.154	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	0.1	-174.6	-66.1	160.1	0	0	0	111.8	L50 C51 S52 D56 T62 I66	L50-I54 HydrophobicContact CB-CD1 4.34Å; L50-I54 WeakPolarHBondContact O-CD1 3.17Å; L50-I54 WeakPolarHBondContact O-CG1 3.01Å; L50-I54 PolarHBondContact O-N 2.9Å; C51-I54 PolarHBondContact O-N 2.78Å; S52-I54 VanDerWaalsContact C-N 3.33Å; I54-D56 PolarHBondContact O-N 3.4Å; I54-T62 HydrophobicContact CD1-CG2 4.32Å; I54-T62 HydrophobicContact CG1-CG2 4.37Å; I54-T62 HydrophobicContact CG2-CG2 4.1Å; I54-I66 HydrophobicContact CD1-CD1 3.32Å; I54-I66 HydrophobicContact CG1-CD1 4.48Å
55	S	48.2	Very low	48.6	Very low	71 Å²	71	96.6 Å²	96.6	50%	0.497	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.1	-170	70.8	0	0	0	0	115.5	L59	S55-L59 VanDerWaalsContact O-CD1 3.24Å; S55-L59 WeakPolarHBondContact O-CD1 3.43Å
56	D	49.2	Very low	48.2	Very low	141 Å²	141	93.9 Å²	93.9	75%	0.754	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-7.6	-164.4	-71.3	3.9	0	0	0	116.3	I54	I54-D56 PolarHBondContact O-N 3.4Å
57	Q	47.5	Very low	48	Very low	163 Å²	163	93.3 Å²	93.3	76%	0.762	52%	0.519	S	S	*	.	S	Bend	trans	-142.3	113	-176.9	-66.5	-172.7	-8.9	0	0	113.6
58	N	53.5	Low	48.1	Very low	131 Å²	131	92.6 Å²	92.6	70%	0.701	52%	0.52	S	S	*	.			trans	52.9	53.6	174.1	-86	-24.9	0	0	0	115.5	S60 Q61 T62	N58-S60 VanDerWaalsContact C-N 3.33Å; N58-S60 PolarHBondContact O-N 2.82Å; N58-S60 VanDerWaalsContact O-N 3.15Å; N58-Q61 PolarHBondContact O-N 2.76Å; N58-T62 PolarHBondContact O-N 3.35Å; N58-T62 PolarHBondContact O-OG1 2.71Å
59	L	45.8	Very low	48.2	Very low	108 Å²	108	92.6 Å²	92.6	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-44.4	-46.2	-175.6	-118.7	118.8	0	0	0	115	S55 A63	S55-L59 VanDerWaalsContact O-CD1 3.24Å; S55-L59 WeakPolarHBondContact O-CD1 3.43Å; L59-A63 WeakPolarHBondContact O-CB 3.3Å; L59-A63 PolarHBondContact O-N 3.13Å
60	S	50.3	Low	47.9	Very low	93 Å²	93	93.6 Å²	93.6	65%	0.65	52%	0.516	S	S	*	.	H	α-helix	trans	-71.6	-48.9	-172.4	174.9	0	0	0	0	113	N58 S64	N58-S60 VanDerWaalsContact C-N 3.33Å; N58-S60 PolarHBondContact O-N 2.82Å; N58-S60 VanDerWaalsContact O-N 3.15Å; S60-S64 VanDerWaalsContact O-CB 3.3Å; S60-S64 WeakPolarHBondContact O-CB 3.12Å; S60-S64 PolarHBondContact O-N 2.66Å; S60-S64 PolarHBondContact O-OG 3.03Å
61	Q	49.2	Very low	47.9	Very low	151 Å²	151	97.9 Å²	97.9	71%	0.706	53%	0.528	S	S	*	.	H	α-helix	trans	-70.2	-42.2	-177.7	-75.6	-175.5	-6.1	0	0	111.7	N58 Y65	N58-Q61 PolarHBondContact O-N 2.76Å; Q61-Y65 WeakPolarHBondContact O-CB 3.08Å; Q61-Y65 PolarHBondContact O-N 2.74Å
62	T	46.5	Very low	47.7	Very low	51 Å²	51	97.6 Å²	97.6	31%	0.313	52%	0.519	S	S	.	.	H	α-helix	trans	-67.3	-42.7	179.2	-52.5	0	0	0	0	111.2	I54 N58 Y65 I66	I54-T62 HydrophobicContact CD1-CG2 4.32Å; I54-T62 HydrophobicContact CG1-CG2 4.37Å; I54-T62 HydrophobicContact CG2-CG2 4.1Å; N58-T62 PolarHBondContact O-N 3.35Å; N58-T62 PolarHBondContact O-OG1 2.71Å; T62-Y65 PolarHBondContact O-N 3.34Å; T62-I66 HydrophobicContact CG2-CD1 3.82Å; T62-I66 WeakPolarHBondContact O-CB 3.24Å; T62-I66 VanDerWaalsContact O-CG1 3.3Å; T62-I66 WeakPolarHBondContact O-CG1 3.17Å; T62-I66 PolarHBondContact O-N 3.39Å
63	A	45.6	Very low	47.7	Very low	49 Å²	49	97.4 Å²	97.4	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-44.3	176.3	0	0	0	0	0	112	L59 Y65 I66 A67	L59-A63 WeakPolarHBondContact O-CB 3.3Å; L59-A63 PolarHBondContact O-N 3.13Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; A63-Y65 PolarHBondContact O-N 2.82Å; A63-I66 PolarHBondContact O-N 2.9Å; A63-A67 WeakPolarHBondContact O-CB 3.36Å; A63-A67 PolarHBondContact O-N 3.25Å
64	S	47.1	Very low	47.6	Very low	82 Å²	82	93.7 Å²	93.7	57%	0.573	50%	0.5	S	S	*	.	H	α-helix	trans	-62.3	-39.6	174.7	-80.9	0	0	0	0	112.2	S60 G68	S60-S64 VanDerWaalsContact O-CB 3.3Å; S60-S64 WeakPolarHBondContact O-CB 3.12Å; S60-S64 PolarHBondContact O-N 2.66Å; S60-S64 PolarHBondContact O-OG 3.03Å; S64-G68 PolarHBondContact O-N 2.67Å
65	Y	50.8	Low	47.7	Very low	141 Å²	141	96 Å²	96	55%	0.553	51%	0.51	S	S	*	.	H	α-helix	trans	-65	-46.8	176.7	180	-96.3	0	0	0	111.8	Q61 T62 A63 G68 R69	Q61-Y65 WeakPolarHBondContact O-CB 3.08Å; Q61-Y65 PolarHBondContact O-N 2.74Å; T62-Y65 PolarHBondContact O-N 3.34Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; A63-Y65 PolarHBondContact O-N 2.82Å; Y65-G68 PolarHBondContact O-N 3.47Å; Y65-R69 HydrophobicContact CD1-CG 4.26Å; Y65-R69 HydrophobicContact CE1-CG 3.81Å; Y65-R69 HydrophobicContact CE2-CG 4.44Å; Y65-R69 WeakPolarHBondContact O-CB 3.18Å; Y65-R69 WeakPolarHBondContact O-CG 3.27Å; Y65-R69 PolarHBondContact O-N 2.91Å; Y65-R69 PolarHBondContact OH-NE 3.19Å; Y65-R69 VanDerWaalsContact OH-NE 3.13Å; Y65-R69 PolarHBondContact OH-NH2 2.99Å
66	I	47.2	Very low	47.7	Very low	40 Å²	40	97.5 Å²	97.5	21%	0.205	51%	0.509	C	S	.	.	H	α-helix	trans	-68.2	-43.6	179.3	-69	169.3	0	0	0	110.8	I54 T62 A63 G68 R69 I70	I54-I66 HydrophobicContact CD1-CD1 3.32Å; I54-I66 HydrophobicContact CG1-CD1 4.48Å; T62-I66 HydrophobicContact CG2-CD1 3.82Å; T62-I66 WeakPolarHBondContact O-CB 3.24Å; T62-I66 VanDerWaalsContact O-CG1 3.3Å; T62-I66 WeakPolarHBondContact O-CG1 3.17Å; T62-I66 PolarHBondContact O-N 3.39Å; A63-I66 PolarHBondContact O-N 2.9Å; I66-G68 VanDerWaalsContact C-N 3.31Å; I66-G68 PolarHBondContact O-N 3.42Å; I66-R69 PolarHBondContact O-N 3.07Å; I66-R69 VanDerWaalsContact O-N 3.16Å; I66-I70 HydrophobicContact CG2-CD1 3.72Å; I66-I70 HydrophobicContact CG2-CG1 4.24Å; I66-I70 WeakPolarHBondContact O-CB 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.24Å; I66-I70 PolarHBondContact O-N 3.12Å
67	A	45.1	Very low	47.6	Very low	60 Å²	60	94.3 Å²	94.3	50%	0.496	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-43.2	174.8	0	0	0	0	0	111.1	A63 R69 I70 W71	A63-A67 WeakPolarHBondContact O-CB 3.36Å; A63-A67 PolarHBondContact O-N 3.25Å; A67-R69 PolarHBondContact O-N 3.37Å; A67-I70 PolarHBondContact O-N 2.79Å; A67-W71 VanDerWaalsContact O-CB 3.28Å; A67-W71 WeakPolarHBondContact O-CB 3.37Å; A67-W71 PolarHBondContact O-N 2.85Å
68	G	48.5	Very low	47.5	Very low	31 Å²	31	91 Å²	91	32%	0.32	48%	0.479	S	S	.	.	H	α-helix	trans	-61.4	-40.5	173.5	0	0	0	0	0	112.9	S64 Y65 I66 W71 L72	S64-G68 PolarHBondContact O-N 2.67Å; Y65-G68 PolarHBondContact O-N 3.47Å; I66-G68 VanDerWaalsContact C-N 3.31Å; I66-G68 PolarHBondContact O-N 3.42Å; G68-W71 PolarHBondContact O-N 3.46Å; G68-L72 WeakPolarHBondContact O-CB 3.16Å; G68-L72 WeakPolarHBondContact O-CG 3.18Å; G68-L72 PolarHBondContact O-N 3.26Å
69	R	52.9	Low	47.1	Very low	137 Å²	137	89.8 Å²	89.8	52%	0.517	47%	0.472	S	S	.	.	H	α-helix	trans	-68.5	-43	175.9	-80	-66.2	-142.3	173.5	8.1	112.8	Y65 I66 A67 W71 L72 L73	Y65-R69 HydrophobicContact CD1-CG 4.26Å; Y65-R69 HydrophobicContact CE1-CG 3.81Å; Y65-R69 HydrophobicContact CE2-CG 4.44Å; Y65-R69 WeakPolarHBondContact O-CB 3.18Å; Y65-R69 WeakPolarHBondContact O-CG 3.27Å; Y65-R69 PolarHBondContact O-N 2.91Å; Y65-R69 PolarHBondContact OH-NE 3.19Å; Y65-R69 VanDerWaalsContact OH-NE 3.13Å; Y65-R69 PolarHBondContact OH-NH2 2.99Å; I66-R69 PolarHBondContact O-N 3.07Å; I66-R69 VanDerWaalsContact O-N 3.16Å; A67-R69 PolarHBondContact O-N 3.37Å; R69-W71 VanDerWaalsContact C-N 3.32Å; R69-L72 PolarHBondContact O-N 3.1Å; R69-L73 WeakPolarHBondContact O-CB 3.48Å; R69-L73 WeakPolarHBondContact O-CD1 3.44Å; R69-L73 WeakPolarHBondContact O-CG 3Å; R69-L73 PolarHBondContact O-N 3.25Å
70	I	45.8	Very low	46.8	Very low	75 Å²	75	88.4 Å²	88.4	39%	0.385	46%	0.464	S	S	.	.	H	α-helix	trans	-63.4	-42.2	175.3	-69.3	171.1	0	0	0	109.5	I66 A67 L73 N74	I66-I70 HydrophobicContact CG2-CD1 3.72Å; I66-I70 HydrophobicContact CG2-CG1 4.24Å; I66-I70 WeakPolarHBondContact O-CB 3.31Å; I66-I70 WeakPolarHBondContact O-CG1 3.24Å; I66-I70 PolarHBondContact O-N 3.12Å; A67-I70 PolarHBondContact O-N 2.79Å; I70-L73 PolarHBondContact O-N 3.32Å; I70-N74 WeakPolarHBondContact O-CB 3.49Å; I70-N74 PolarHBondContact O-N 3.45Å
71	W	44.2	Very low	46.4	Very low	161 Å²	161	85.8 Å²	85.8	61%	0.61	45%	0.448	S	S	*	.	H	α-helix	trans	-62.6	-45.3	175.7	-176.1	86.8	0	0	0	111.9	A67 G68 R69 L73 N74 Q75	A67-W71 VanDerWaalsContact O-CB 3.28Å; A67-W71 WeakPolarHBondContact O-CB 3.37Å; A67-W71 PolarHBondContact O-N 2.85Å; G68-W71 PolarHBondContact O-N 3.46Å; R69-W71 VanDerWaalsContact C-N 3.32Å; W71-L73 PolarHBondContact O-N 3.02Å; W71-N74 PolarHBondContact O-N 2.83Å; W71-Q75 HydrophobicContact CD2-CG 4.12Å; W71-Q75 HydrophobicContact CE3-CG 4.25Å; W71-Q75 HydrophobicContact CH2-CG 4.11Å; W71-Q75 HydrophobicContact CZ2-CG 3.96Å; W71-Q75 HydrophobicContact CZ3-CG 4.25Å; W71-Q75 WeakPolarHBondContact O-CG 3.44Å; W71-Q75 PolarHBondContact O-N 3.12Å
72	L	44.3	Very low	45.8	Very low	85 Å²	85	85.6 Å²	85.6	45%	0.445	45%	0.445	S	S	.	.	H	α-helix	trans	-60.6	-42.4	173.3	-87	160.5	0	0	0	112.4	G68 R69 N74 Q75 Q76	G68-L72 WeakPolarHBondContact O-CB 3.16Å; G68-L72 WeakPolarHBondContact O-CG 3.18Å; G68-L72 PolarHBondContact O-N 3.26Å; R69-L72 PolarHBondContact O-N 3.1Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-Q75 PolarHBondContact O-N 2.88Å; L72-Q76 WeakPolarHBondContact O-CB 3.32Å; L72-Q76 WeakPolarHBondContact O-CG 3.41Å; L72-Q76 PolarHBondContact O-N 2.97Å
73	L	47.1	Very low	45.4	Very low	76 Å²	76	86.8 Å²	86.8	40%	0.398	46%	0.456	S	S	.	.	H	α-helix	trans	-64.1	-39.8	175.8	-84.5	157.8	0	0	0	111.5	R69 I70 W71 Q76 N77	R69-L73 WeakPolarHBondContact O-CB 3.48Å; R69-L73 WeakPolarHBondContact O-CD1 3.44Å; R69-L73 WeakPolarHBondContact O-CG 3Å; R69-L73 PolarHBondContact O-N 3.25Å; I70-L73 PolarHBondContact O-N 3.32Å; W71-L73 PolarHBondContact O-N 3.02Å; L73-Q76 PolarHBondContact O-N 2.87Å; L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 VanDerWaalsContact O-CG 3.27Å; L73-N77 PolarHBondContact O-N 2.8Å; L73-N77 PolarHBondContact O-ND2 3.48Å
74	N	46.6	Very low	45.1	Very low	92 Å²	92	89.1 Å²	89.1	49%	0.492	46%	0.461	S	S	.	.	H	α-helix	trans	-68.8	-40.3	176.6	-122.8	3.8	0	0	0	111.6	I70 W71 L72 Q76 N77 L78	I70-N74 WeakPolarHBondContact O-CB 3.49Å; I70-N74 PolarHBondContact O-N 3.45Å; W71-N74 PolarHBondContact O-N 2.83Å; L72-N74 VanDerWaalsContact C-N 3.35Å; N74-Q76 VanDerWaalsContact C-N 3.35Å; N74-N77 PolarHBondContact O-N 3.32Å; N74-L78 WeakPolarHBondContact O-CB 3.37Å; N74-L78 PolarHBondContact O-N 2.85Å
75	Q	46.8	Very low	44.8	Very low	79 Å²	79	89 Å²	89	37%	0.369	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-41.8	171.9	-73.2	-65.3	-18.7	0	0	111.4	W71 L72 L78 I79	W71-Q75 HydrophobicContact CD2-CG 4.12Å; W71-Q75 HydrophobicContact CE3-CG 4.25Å; W71-Q75 HydrophobicContact CH2-CG 4.11Å; W71-Q75 HydrophobicContact CZ2-CG 3.96Å; W71-Q75 HydrophobicContact CZ3-CG 4.25Å; W71-Q75 WeakPolarHBondContact O-CG 3.44Å; W71-Q75 PolarHBondContact O-N 3.12Å; L72-Q75 PolarHBondContact O-N 2.88Å; Q75-L78 WeakPolarHBondContact O-CB 3.21Å; Q75-L78 PolarHBondContact O-N 2.82Å; Q75-I79 VanDerWaalsContact O-CG1 3.25Å; Q75-I79 WeakPolarHBondContact O-CG1 3.49Å; Q75-I79 PolarHBondContact O-N 2.76Å
76	Q	47.9	Very low	44	Very low	102 Å²	102	85.9 Å²	85.9	48%	0.477	45%	0.452	S	S	.	.	H	α-helix	trans	-64.2	-43.2	174.6	-79.7	-179.6	-5.2	0	0	112.2	L72 L73 N74 L78 I79 I80	L72-Q76 WeakPolarHBondContact O-CB 3.32Å; L72-Q76 WeakPolarHBondContact O-CG 3.41Å; L72-Q76 PolarHBondContact O-N 2.97Å; L73-Q76 PolarHBondContact O-N 2.87Å; N74-Q76 VanDerWaalsContact C-N 3.35Å; Q76-L78 VanDerWaalsContact C-N 3.29Å; Q76-L78 PolarHBondContact O-N 3.42Å; Q76-I79 PolarHBondContact O-N 3.41Å; Q76-I79 VanDerWaalsContact O-N 3.15Å; Q76-I80 WeakPolarHBondContact O-CB 3.44Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 3.33Å; Q76-I80 PolarHBondContact O-N 2.96Å
77	N	47.7	Very low	43.4	Very low	73 Å²	73	89.1 Å²	89.1	39%	0.39	48%	0.475	S	S	.	.	H	α-helix	trans	-64.8	-34.5	175.5	-74.7	-20.1	0	0	0	111.5	L73 N74 A81	L73-N77 WeakPolarHBondContact O-CB 3.39Å; L73-N77 VanDerWaalsContact O-CG 3.27Å; L73-N77 PolarHBondContact O-N 2.8Å; L73-N77 PolarHBondContact O-ND2 3.48Å; N74-N77 PolarHBondContact O-N 3.32Å; N77-A81 WeakPolarHBondContact O-CB 3.33Å; N77-A81 PolarHBondContact O-N 2.86Å
78	L	45.5	Very low	43	Very low	94 Å²	94	95.3 Å²	95.3	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-66.7	-38.5	170.9	-93.5	156.2	0	0	0	112.3	N74 Q75 Q76 K82	N74-L78 WeakPolarHBondContact O-CB 3.37Å; N74-L78 PolarHBondContact O-N 2.85Å; Q75-L78 WeakPolarHBondContact O-CB 3.21Å; Q75-L78 PolarHBondContact O-N 2.82Å; Q76-L78 VanDerWaalsContact C-N 3.29Å; Q76-L78 PolarHBondContact O-N 3.42Å; L78-K82 VanDerWaalsContact O-CB 3.29Å; L78-K82 WeakPolarHBondContact O-CB 3.18Å; L78-K82 WeakPolarHBondContact O-CG 3.42Å; L78-K82 PolarHBondContact O-N 2.94Å
79	I	43.5	Very low	42.2	Very low	106 Å²	106	101.5 Å²	101.5	54%	0.544	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-45.1	175	-68.4	162.8	0	0	0	110.5	Q75 Q76 K82 S83	Q75-I79 VanDerWaalsContact O-CG1 3.25Å; Q75-I79 WeakPolarHBondContact O-CG1 3.49Å; Q75-I79 PolarHBondContact O-N 2.76Å; Q76-I79 PolarHBondContact O-N 3.41Å; Q76-I79 VanDerWaalsContact O-N 3.15Å; I79-K82 CarbonylContact O-C 3.58Å; I79-K82 WeakPolarHBondContact O-CB 3.41Å; I79-K82 PolarHBondContact O-N 3.39Å; I79-S83 PolarHBondContact O-N 2.86Å
80	I	39.8	Very low	41	Very low	78 Å²	78	100 Å²	100	40%	0.4	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-43.7	176.9	-68.1	165.4	0	0	0	110	Q76 K82 S83 L84	Q76-I80 WeakPolarHBondContact O-CB 3.44Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 3.33Å; Q76-I80 PolarHBondContact O-N 2.96Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 2.87Å; I80-S83 PolarHBondContact O-N 3.4Å; I80-S83 PolarHBondContact O-OG 2.87Å; I80-L84 HydrophobicContact CG2-CD1 3.56Å; I80-L84 HydrophobicContact CG2-CG 4.16Å; I80-L84 VanDerWaalsContact O-CB 3.25Å; I80-L84 WeakPolarHBondContact O-CB 3.11Å; I80-L84 WeakPolarHBondContact O-CG 3.12Å; I80-L84 PolarHBondContact O-N 3.16Å
81	A	41.8	Very low	40.3	Very low	39 Å²	39	104.4 Å²	104.4	32%	0.322	55%	0.545	S	S	.	.	H	α-helix	trans	-59.7	-46.1	172.3	0	0	0	0	0	110.3	N77 S83 L84 I85	N77-A81 WeakPolarHBondContact O-CB 3.33Å; N77-A81 PolarHBondContact O-N 2.86Å; A81-S83 PolarHBondContact O-N 3.49Å; A81-L84 PolarHBondContact O-N 2.79Å; A81-I85 HydrophobicContact CB-CD1 4.22Å; A81-I85 WeakPolarHBondContact O-CB 3.35Å; A81-I85 WeakPolarHBondContact O-CD1 3.31Å; A81-I85 WeakPolarHBondContact O-CG1 3.47Å; A81-I85 PolarHBondContact O-N 3.44Å
82	K	37.8	Very low	39.5	Very low	146 Å²	146	100.1 Å²	100.1	64%	0.635	55%	0.551	S	S	*	*	H	α-helix	trans	-60.2	-42.5	175.7	-86	-177	174.7	-177.8	0	112.8	L78 I79 I80 I85 S86	L78-K82 VanDerWaalsContact O-CB 3.29Å; L78-K82 WeakPolarHBondContact O-CB 3.18Å; L78-K82 WeakPolarHBondContact O-CG 3.42Å; L78-K82 PolarHBondContact O-N 2.94Å; I79-K82 CarbonylContact O-C 3.58Å; I79-K82 WeakPolarHBondContact O-CB 3.41Å; I79-K82 PolarHBondContact O-N 3.39Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 2.87Å; K82-I85 PolarHBondContact O-N 2.83Å; K82-S86 WeakPolarHBondContact O-CB 3.46Å; K82-S86 PolarHBondContact O-N 3.49Å; K82-S86 PolarHBondContact O-OG 2.85Å
83	S	37.4	Very low	38.5	Very low	77 Å²	77	103.3 Å²	103.3	54%	0.538	57%	0.568	S	S	.	*	H	α-helix	trans	-72.8	-36.6	-179.1	84.5	0	0	0	0	111.9	I79 I80 A81 I85 S86	I79-S83 PolarHBondContact O-N 2.86Å; I80-S83 PolarHBondContact O-N 3.4Å; I80-S83 PolarHBondContact O-OG 2.87Å; A81-S83 PolarHBondContact O-N 3.49Å; S83-I85 VanDerWaalsContact C-N 3.34Å; S83-S86 PolarHBondContact O-N 3.42Å
84	L	39.3	Very low	37.3	Very low	98 Å²	98	110.7 Å²	110.7	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-71.7	-28.8	174.3	-69.3	171.7	0	0	0	112.2	I80 A81 V172	I80-L84 HydrophobicContact CG2-CD1 3.56Å; I80-L84 HydrophobicContact CG2-CG 4.16Å; I80-L84 VanDerWaalsContact O-CB 3.25Å; I80-L84 WeakPolarHBondContact O-CB 3.11Å; I80-L84 WeakPolarHBondContact O-CG 3.12Å; I80-L84 PolarHBondContact O-N 3.16Å; A81-L84 PolarHBondContact O-N 2.79Å; L84-V172 HydrophobicContact CD1-CG1 4.49Å
85	I	40.4	Very low	36.1	Very low	80 Å²	80	115.9 Å²	115.9	41%	0.41	61%	0.609	S	S	.	*	H	α-helix	trans	-86.8	-15.9	177.9	-64.6	164	0	0	0	111.9	A81 K82 S83 P87	A81-I85 HydrophobicContact CB-CD1 4.22Å; A81-I85 WeakPolarHBondContact O-CB 3.35Å; A81-I85 WeakPolarHBondContact O-CD1 3.31Å; A81-I85 WeakPolarHBondContact O-CG1 3.47Å; A81-I85 PolarHBondContact O-N 3.44Å; K82-I85 PolarHBondContact O-N 2.83Å; S83-I85 VanDerWaalsContact C-N 3.34Å; I85-P87 WeakPolarHBondContact O-CD 3.44Å
86	S	34.2	Very low	35	Very low	75 Å²	75	118.5 Å²	118.5	52%	0.524	63%	0.63	S	S	.	*			trans	-109.8	62.6	-178.9	-52.4	0	0	0	0	114.3	K82 S83 K88	K82-S86 WeakPolarHBondContact O-CB 3.46Å; K82-S86 PolarHBondContact O-N 3.49Å; K82-S86 PolarHBondContact O-OG 2.85Å; S83-S86 PolarHBondContact O-N 3.42Å; S86-K88 VanDerWaalsContact C-N 3.34Å; S86-K88 PolarHBondContact O-N 3.31Å
87	P	34.7	Very low	33.9	Very low	107 Å²	107	119.5 Å²	119.5	70%	0.695	65%	0.648	S	S	*	*			trans	-86.1	24.4	-179.7	34.9	-36.3	0	0	0	115.4	I85	I85-P87 WeakPolarHBondContact O-CD 3.44Å
88	K	36	Very low	32.8	Very low	191 Å²	191	119.8 Å²	119.8	83%	0.83	67%	0.669	S	S	*	*			trans	-138.1	14.2	-170.3	-90.4	-163.8	176.6	-173.5	0	120	S86	S86-K88 VanDerWaalsContact C-N 3.34Å; S86-K88 PolarHBondContact O-N 3.31Å
89	L	32.2	Very low	31.8	Very low	160 Å²	160	120.6 Å²	120.6	84%	0.838	68%	0.682	S	S	*	*	S	Bend	trans	-100.6	-6.2	-178	-88.4	161.1	0	0	0	116.9
90	S	29.2	Very low	30.7	Very low	107 Å²	107	121 Å²	121	75%	0.748	69%	0.694	S	S	*	*	S	Bend	trans	-103.4	-12.6	-179.5	53.3	0	0	0	0	116.2
91	E	29.6	Very low	30	Very low	166 Å²	166	123.5 Å²	123.5	78%	0.776	71%	0.713	S	S	*	*	S	Bend	trans	-99.1	-3.2	-177.8	-74.1	-178.9	168.9	0	0	114.6	L93	E91-L93 PolarHBondContact O-N 2.97Å
92	G	27.6	Very low	29.1	Very low	72 Å²	72	126.8 Å²	126.8	74%	0.742	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	0.2	179.3	0	0	0	0	0	115.8
93	L	24.3	Very low	28.5	Very low	152 Å²	152	127.3 Å²	127.3	80%	0.796	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	2.1	-171.5	-106.8	139.8	0	0	0	115.5	E91	E91-L93 PolarHBondContact O-N 2.97Å
94	W	21.7	Very low	27.9	Very low	231 Å²	231	132.3 Å²	132.3	88%	0.875	76%	0.758	S	S	*	*	S	Bend	trans	-119.9	8.2	-179	-73.1	97.2	0	0	0	116
95	F	21.7	Very low	27.1	Very low	201 Å²	201	130.8 Å²	130.8	88%	0.882	77%	0.766	S	S	*	*			trans	-105	71.8	172	-82.5	-82.9	0	0	0	111.7
96	V	23.8	Very low	26.4	Very low	133 Å²	133	134.7 Å²	134.7	81%	0.806	79%	0.788	S	S	*	*	S	Bend	trans	-137	129.3	157.9	-179.9	0	0	0	0	108.5
97	S	23.5	Very low	25.8	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	81%	0.805	S	S	*	*			trans	75.1	93	168.4	65.7	0	0	0	0	118.3
98	G	24.6	Very low	25.5	Very low	79 Å²	79	136.7 Å²	136.7	81%	0.814	81%	0.805	S	S	*	*			trans	-163.5	84.3	162.1	0	0	0	0	0	108.2
99	S	25.2	Very low	25	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	81%	0.805	S	S	*	*			trans	-54.1	140.3	-172.1	30.4	0	0	0	0	115	V101	S99-V101 PolarHBondContact O-N 2.75Å
100	S	21	Very low	24.6	Very low	114 Å²	114	135.1 Å²	135.1	80%	0.797	81%	0.805	S	S	*	*			trans	-49.1	124.8	164.6	50.9	0	0	0	0	112.8
101	V	24.8	Very low	24.4	Very low	131 Å²	131	133.5 Å²	133.5	79%	0.794	81%	0.805	S	S	*	*			trans	-118.4	99.4	156.5	177.8	0	0	0	0	106.4	S99	S99-V101 PolarHBondContact O-N 2.75Å
102	S	22.3	Very low	24.1	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	80%	0.803	S	S	*	*			trans	-82.8	118	160	49.4	0	0	0	0	106.8
103	D	25.9	Very low	23.9	Very low	157 Å²	157	137.8 Å²	137.8	84%	0.84	81%	0.807	S	S	*	*			trans	-125	119	162.5	-145.3	2.1	0	0	0	109
104	Q	23.3	Very low	23.9	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	81%	0.807	S	S	*	*			trans	-95.6	139.4	-179.1	-77.2	-177.9	-17.7	0	0	108.1
105	G	22.4	Very low	24.2	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	81%	0.805	S	S	*	*			trans	81.2	113.3	145.3	0	0	0	0	0	116.1
106	D	26.7	Very low	24.3	Very low	162 Å²	162	132.8 Å²	132.8	87%	0.866	80%	0.803	S	S	*	*				-160.5	105.7	116.3	-101.4	-22.2	0	0	0	109.9
107	S	21.5	Very low	24.3	Very low	126 Å²	126	130 Å²	130	88%	0.881	80%	0.802	S	S	*	*			trans	-91.7	102.8	164.1	54.6	0	0	0	0	107.4
108	S	27.8	Very low	24.5	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	80%	0.8	S	S	*	*			trans	-131.5	115	173.7	66	0	0	0	0	112.4
109	N	26.6	Very low	24.5	Very low	158 Å²	158	135.4 Å²	135.4	85%	0.845	80%	0.802	S	S	*	*			trans	61.2	111.1	145	-77.7	-23	0	0	0	121.6
110	L	22.7	Very low	24.6	Very low	159 Å²	159	139.7 Å²	139.7	83%	0.832	81%	0.807	S	S	*	*			trans	-34.7	125.5	146.5	-77.3	89.8	0	0	0	113.5
111	G	26.5	Very low	24.9	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	81%	0.806	S	S	*	*			trans	-117.1	90.4	155.2	0	0	0	0	0	109.4	Y113	G111-Y113 PolarHBondContact O-N 3.46Å
112	T	22.8	Very low	24.8	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	81%	0.812	S	S	*	*			trans	-62.7	113.1	167.5	28	0	0	0	0	110.1
113	Y	22.8	Very low	24.9	Very low	212 Å²	212	138.5 Å²	138.5	83%	0.831	81%	0.81	S	S	*	*			trans	-106.5	94	168	-127.5	-89.7	0	0	0	109.5	G111 K115	G111-Y113 PolarHBondContact O-N 3.46Å; Y113-K115 PolarHBondContact O-N 2.82Å
114	N	23.5	Very low	24.9	Very low	149 Å²	149	139.9 Å²	139.9	80%	0.797	81%	0.811	S	S	*	*			trans	-72.9	114.3	166.5	-84.4	-28.3	0	0	0	108.7
115	K	28.9	Very low	24.9	Very low	194 Å²	194	140.8 Å²	140.8	84%	0.843	81%	0.813	S	S	*	*			trans	-117.1	104.4	161.5	-110.5	-175.3	178.6	179.3	0	109.4	Y113	Y113-K115 PolarHBondContact O-N 2.82Å
116	T	23.1	Very low	25.1	Very low	136 Å²	136	147.7 Å²	147.7	83%	0.834	82%	0.824	S	S	*	*			trans	-69.6	137.9	167	43.9	0	0	0	0	111.5
117	G	24.7	Very low	25	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	82%	0.822	S	S	*	*			trans	88.5	112.3	148.1	0	0	0	0	0	116.7
118	N	28.1	Very low	25.2	Very low	153 Å²	153	148 Å²	148	82%	0.818	82%	0.82	S	S	*	*				-173.1	102.2	101.3	-138.1	0.1	0	0	0	110.3	K120	N118-K120 PolarHBondContact O-N 2.84Å
119	D	24.4	Very low	25.3	Very low	162 Å²	162	152.8 Å²	152.8	87%	0.866	83%	0.828	S	S	*	*			trans	-76.4	95.4	164.2	-92.3	-34.8	0	0	0	109.2
120	K	27.4	Very low	25.4	Very low	201 Å²	201	153 Å²	153	87%	0.874	83%	0.829	S	S	*	*			trans	-159.3	104.7	155.4	-70.3	-160.2	-179.2	174.6	0	110.1	N118	N118-K120 PolarHBondContact O-N 2.84Å
121	G	26.4	Very low	25.8	Very low	76 Å²	76	150.1 Å²	150.1	78%	0.784	83%	0.828	S	S	*	*			trans	167.4	12.8	170.3	0	0	0	0	0	118.1	S123	G121-S123 PolarHBondContact O-N 2.85Å
122	T	23.4	Very low	26	Very low	151 Å²	151	150.9 Å²	150.9	93%	0.926	83%	0.827	S	S	*	*			trans	-94.5	68.3	179.5	17.1	0	0	0	0	111.5
123	S	24.1	Very low	26.8	Very low	101 Å²	101	154 Å²	154	71%	0.706	83%	0.834	S	S	*	*	S	Bend	trans	-166.5	77.2	168	168.5	0	0	0	0	110.7	G121	G121-S123 PolarHBondContact O-N 2.85Å
124	Q	25.3	Very low	28	Very low	186 Å²	186	147.7 Å²	147.7	87%	0.869	82%	0.821	S	S	*	*	S	Bend	trans	-178.1	-5.6	144.9	-104.7	169.4	1.2	0	0	116.2	K126	Q124-K126 PolarHBondContact O-N 3.41Å
125	F	24.8	Very low	29.6	Very low	202 Å²	202	143.1 Å²	143.1	89%	0.886	80%	0.795	S	S	*	*			trans	-93.5	67.1	172.7	-89.6	-91.2	0	0	0	112.3
126	K	25.4	Very low	31	Very low	210 Å²	210	136.3 Å²	136.3	91%	0.913	77%	0.768	S	S	*	*			trans	-130.2	9.4	169.9	-100.4	-171	179.6	-178.2	0	115.2	Q124	Q124-K126 PolarHBondContact O-N 3.41Å
127	S	25.7	Very low	33	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	76%	0.757	S	S	*	*	S	Bend	trans	-113.3	11.4	-174.3	-162.7	0	0	0	0	116.3
128	Q	25.7	Very low	34.9	Very low	179 Å²	179	142.7 Å²	142.7	84%	0.836	76%	0.758	S	S	*	*	S	Bend	trans	-130	30.7	-174	-128.4	175.6	19.3	0	0	115.2
129	K	28.8	Very low	36.6	Very low	197 Å²	197	137.4 Å²	137.4	86%	0.857	73%	0.732	S	S	*	*	S	Bend	trans	-104.4	2	172.3	-104.5	-170.9	177.1	-173.3	0	115.4
130	N	28.4	Very low	38.8	Very low	164 Å²	164	132.3 Å²	132.3	88%	0.877	71%	0.705	S	S	*	*	S	Bend	trans	-105.7	19.5	-171.9	-75	-2	0	0	0	115.6
131	A	30.8	Very low	41.2	Very low	98 Å²	98	126.7 Å²	126.7	81%	0.81	68%	0.684	S	S	*	*	S	Bend	trans	-119.5	-9.6	179.7	0	0	0	0	0	115.4	E133	A131-E133 VanDerWaalsContact C-N 3.33Å; A131-E133 PolarHBondContact O-N 2.84Å
132	A	32.5	Very low	43.6	Very low	89 Å²	89	125.3 Å²	125.3	74%	0.736	66%	0.658	S	S	*	*			trans	-83.2	88.7	160.6	0	0	0	0	0	106.5	S134	A132-S134 VanDerWaalsContact C-N 3.31Å; A132-S134 PolarHBondContact O-N 3.46Å
133	E	38.8	Very low	45.8	Very low	183 Å²	183	124.9 Å²	124.9	86%	0.855	65%	0.646	S	S	*	*			trans	-48.4	110	153.6	-77.7	-175.4	155.7	0	0	105.8	A131 I135	A131-E133 VanDerWaalsContact C-N 3.33Å; A131-E133 PolarHBondContact O-N 2.84Å; E133-I135 PolarHBondContact O-N 3.28Å
134	S	48.1	Very low	48.2	Very low	79 Å²	79	127.6 Å²	127.6	55%	0.552	65%	0.652	S	S	*	*			trans	-47.6	117.9	-179.6	171.3	0	0	0	0	107.9	A132 I136	A132-S134 VanDerWaalsContact C-N 3.31Å; A132-S134 PolarHBondContact O-N 3.46Å; S134-I136 CarbonylContact O-C 3.57Å; S134-I136 PolarHBondContact O-N 3.23Å; S134-I136 WeakPolarHBondContact OG-CB 3.34Å; S134-I136 PolarHBondContact OG-N 3.47Å
135	I	56.7	Low	50.6	Low	52 Å²	52	122.4 Å²	122.4	27%	0.267	63%	0.625	S	S	.	*	S	Bend	trans	-54.5	-17.6	176.8	-73.1	162.6	0	0	0	110.5	E133 R137 P587 L588 E591	E133-I135 PolarHBondContact O-N 3.28Å; I135-R137 PolarHBondContact O-N 3.45Å; I135-P587 HydrophobicContact CD1-CB 4.46Å; I135-L588 HydrophobicContact CG2-CD2 3.83Å; I135-E591 HydrophobicContact CD1-CB 3.97Å; I135-E591 HydrophobicContact CD1-CG 4.08Å; I135-E591 WeakPolarHBondContact CD1-OE2 3.36Å
136	I	59.5	Low	53	Low	52 Å²	52	117.4 Å²	117.4	27%	0.267	61%	0.613	S	S	.	*			trans	-68.9	90.4	171.8	-47	179.1	0	0	0	110.8	S134 P382 V383	S134-I136 CarbonylContact O-C 3.57Å; S134-I136 PolarHBondContact O-N 3.23Å; S134-I136 WeakPolarHBondContact OG-CB 3.34Å; S134-I136 PolarHBondContact OG-N 3.47Å; I136-P382 HydrophobicContact CD1-CG 4.49Å; I136-P382 HydrophobicContact CG2-CG 3.68Å; I136-V383 HydrophobicContact CG2-CG2 3.9Å
137	R	65.1	Low	55.3	Low	160 Å²	160	109 Å²	109	60%	0.604	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-58.5	137	165.7	-69.2	178.7	173.4	168.9	-2.3	110	I135 W422 E425	I135-R137 PolarHBondContact O-N 3.45Å; R137-W422 PolarHBondContact O-NE1 2.77Å; R137-E425 IonicContact NH1-OE2 3.51Å; R137-E425 PolarHBondContact NH1-OE2 2.89Å
138	K	64.3	Low	57.5	Low	185 Å²	185	107.4 Å²	107.4	80%	0.804	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-53.2	142.2	177.7	-73.3	-174	179.3	-179.7	0	110.7	L140 W422	K138-L140 PolarHBondContact O-N 2.93Å; K138-W422 PolarHBondContact O-NE1 2.87Å
139	P	62.9	Low	59.6	Low	42 Å²	42	103.5 Å²	103.5	27%	0.273	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-57.2	132.6	178.9	22	-32	0	0	0	111.1	L141 W422 G457	P139-L141 PolarHBondContact O-N 3.4Å; P139-W422 HydrophobicContact CB-CH2 4.37Å; P139-W422 HydrophobicContact CB-CZ2 3.9Å; P139-G457 VanDerWaalsContact CB-O 3.26Å; P139-G457 WeakPolarHBondContact CB-O 3.4Å
140	L	70.3	Confident	61.5	Low	54 Å²	54	96.9 Å²	96.9	28%	0.283	53%	0.534	S	S	.	.			trans	-79.7	106.3	175.6	-68	171.1	0	0	0	108.5	K138 N418 V419 W422 Y452	K138-L140 PolarHBondContact O-N 2.93Å; L140-N418 HydrophobicContact CD1-CB 4.15Å; L140-N418 WeakPolarHBondContact CD1-O 3.3Å; L140-V419 HydrophobicContact CB-CG2 4.04Å; L140-V419 HydrophobicContact CD1-CB 4.45Å; L140-V419 HydrophobicContact CD1-CG2 3.97Å; L140-W422 HydrophobicContact CD1-CB 3.79Å; L140-W422 HydrophobicContact CD1-CG 4.08Å; L140-W422 HydrophobicContact CG-CG 4.38Å; L140-Y452 PolarHBondContact O-OH 2.74Å
141	L	78	Confident	63.5	Low	84 Å²	84	91.8 Å²	91.8	44%	0.44	51%	0.51	S	S	.	.			trans	-87.7	131.6	179.9	-58.6	179	0	0	0	111	P139 Q143 T456	P139-L141 PolarHBondContact O-N 3.4Å; L141-Q143 HydrophobicContact CB-CG 4.41Å; L141-T456 WeakPolarHBondContact CD2-O 3.21Å
142	L	77	Confident	65.5	Low	46 Å²	46	87.5 Å²	87.5	24%	0.241	47%	0.474	C	S	.	.			trans	-115.9	72.9	168.5	-55	176.5	0	0	0	108.3	N144 Y145 L415 V419 P454	L142-N144 PolarHBondContact O-N 3.3Å; L142-Y145 HydrophobicContact CD1-CD2 4.09Å; L142-Y145 WeakPolarHBondContact O-CB 3.33Å; L142-Y145 PolarHBondContact O-N 3.28Å; L142-L415 HydrophobicContact CD1-CD2 4Å; L142-V419 HydrophobicContact CD1-CG2 4.35Å; L142-P454 CarbonylContact C-O 3.57Å; L142-P454 HydrophobicContact CB-CB 3.85Å; L142-P454 HydrophobicContact CD1-CB 4.3Å; L142-P454 HydrophobicContact CG-CB 4.42Å; L142-P454 PolarHBondContact N-O 3.07Å
143	Q	69.9	Low	67.3	Low	143 Å²	143	83.4 Å²	83.4	67%	0.668	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-34.7	-168.7	-67.7	178.4	6.3	0	0	114.4	L141	L141-Q143 HydrophobicContact CB-CG 4.41Å
144	N	73.6	Confident	68.6	Low	157 Å²	157	77.7 Å²	77.7	84%	0.84	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	12.6	-176.9	-62.3	-23.8	0	0	0	113.8	L142	L142-N144 PolarHBondContact O-N 3.3Å
145	Y	75.9	Confident	69.3	Low	77 Å²	77	80.3 Å²	80.3	30%	0.302	42%	0.419	S	S	.	.			trans	-75	125	179	-160.8	-83.5	0	0	0	110.1	L142 I147 L407 L415 P454	L142-Y145 HydrophobicContact CD1-CD2 4.09Å; L142-Y145 WeakPolarHBondContact O-CB 3.33Å; L142-Y145 PolarHBondContact O-N 3.28Å; Y145-I147 PolarHBondContact O-N 2.94Å; Y145-L407 HydrophobicContact CD1-CD1 3.91Å; Y145-L407 HydrophobicContact CE1-CD1 3.44Å; Y145-L407 VanDerWaalsContact CE1-CD1 3.44Å; Y145-L407 HydrophobicContact CE1-CD2 4.02Å; Y145-L407 HydrophobicContact CE1-CG 4.3Å; Y145-L415 HydrophobicContact CD2-CD2 4.19Å; Y145-L415 HydrophobicContact CE1-CD2 4.31Å; Y145-L415 HydrophobicContact CE2-CD2 3.56Å; Y145-P454 HydrophobicContact CD1-CB 4.49Å; Y145-P454 HydrophobicContact CD1-CG 3.95Å; Y145-P454 HydrophobicContact CG-CB 4.32Å; Y145-P454 HydrophobicContact CG-CG 4.26Å
146	P	75.9	Confident	69.7	Low	98 Å²	98	82.1 Å²	82.1	64%	0.636	42%	0.424	S	S	*	.			trans	-69	129	179.7	28.2	-33.4	0	0	0	110.4	P148	P146-P148 WeakPolarHBondContact O-CD 3.49Å
147	I	73.3	Confident	69.5	Low	34 Å²	34	84.3 Å²	84.3	17%	0.174	45%	0.45	C	S	.	.			trans	-101.2	105.9	171.4	-55.3	173.6	0	0	0	106.9	Y145 Q455	Y145-I147 PolarHBondContact O-N 2.94Å; I147-Q455 HydrophobicContact CD1-CG 4.07Å
148	P	72	Confident	69.2	Low	83 Å²	83	84.9 Å²	84.9	54%	0.539	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-66.7	139.4	177.9	27.5	-32.4	0	0	0	110	P146	P146-P148 WeakPolarHBondContact O-CD 3.49Å
149	S	69.8	Low	69.1	Low	96 Å²	96	76.8 Å²	76.8	67%	0.671	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-65.4	134.5	166.7	-55.4	0	0	0	0	109
150	P	69.3	Low	69.3	Low	58 Å²	58	80.8 Å²	80.8	38%	0.377	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-62.1	131.4	179.3	24.4	-31.8	0	0	0	109.6	F292 Y403	P150-F292 HydrophobicContact CB-CD2 4.49Å; P150-F292 HydrophobicContact CG-CD2 4.19Å; P150-Y403 WeakPolarHBondContact CD-OH 3.44Å; P150-Y403 WeakPolarHBondContact CG-OH 3.39Å
151	P	70.3	Confident	69.6	Low	58 Å²	58	83.7 Å²	83.7	38%	0.377	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-66.8	148.2	175.5	28.1	-34	0	0	0	110.1	Q155	P151-Q155 HydrophobicContact CB-CB 4.16Å
152	T	73.7	Confident	69.6	Low	8 Å²	8	82.4 Å²	82.4	5%	0.049	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-61.7	153.1	171.4	52.1	0	0	0	0	110.9	D154 Q155 E288 K290	T152-D154 VanDerWaalsContact C-N 3.25Å; T152-D154 WeakPolarHBondContact CB-OD1 3.35Å; T152-D154 PolarHBondContact O-N 2.91Å; T152-D154 PolarHBondContact OG1-OD1 2.91Å; T152-Q155 WeakPolarHBondContact O-CB 3.13Å; T152-Q155 PolarHBondContact O-N 3.1Å; T152-Q155 VanDerWaalsContact OG1-CD 3.28Å; T152-Q155 WeakPolarHBondContact OG1-CG 3.41Å; T152-Q155 PolarHBondContact OG1-NE2 3.45Å; T152-E288 WeakPolarHBondContact CG2-OE1 3.28Å; T152-K290 HydrophobicContact CG2-CB 4.21Å
153	L	68.5	Low	69.7	Low	2 Å²	2	89.2 Å²	89.2	1%	0.01	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-62	-31.5	-173.3	-74	-177.5	0	0	0	113.5	Q155 K156 S159 A260 F262 P291 F292 A294	L153-Q155 PolarHBondContact O-N 2.89Å; L153-K156 HydrophobicContact CD2-CD 3.8Å; L153-K156 WeakPolarHBondContact O-CB 3.48Å; L153-K156 PolarHBondContact O-N 3.38Å; L153-S159 WeakPolarHBondContact O-CB 3.46Å; L153-S159 PolarHBondContact O-OG 2.92Å; L153-A260 HydrophobicContact CD1-CB 4.14Å; L153-A260 WeakPolarHBondContact CD1-O 3.14Å; L153-A260 HydrophobicContact CD2-CB 3.64Å; L153-A260 HydrophobicContact CG-CB 4.44Å; L153-F262 HydrophobicContact CB-CD1 3.95Å; L153-F262 HydrophobicContact CB-CE1 4.26Å; L153-F262 HydrophobicContact CD1-CB 4.48Å; L153-F262 HydrophobicContact CD1-CD1 4.45Å; L153-P291 WeakPolarHBondContact CB-O 3.22Å; L153-P291 HydrophobicContact CD1-CB 4.25Å; L153-P291 HydrophobicContact CD1-CG 4.04Å; L153-P291 WeakPolarHBondContact CG-O 3.41Å; L153-P291 PolarHBondContact N-O 3.39Å; L153-F292 WeakPolarHBondContact CD2-O 3.3Å; L153-A294 HydrophobicContact CD1-CB 3.58Å
154	D	66.9	Low	70.2	Confident	63 Å²	63	82.8 Å²	82.8	34%	0.337	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-67	-20	176	67.5	-50.2	0	0	0	113.9	T152 K156 F262 K290	T152-D154 VanDerWaalsContact C-N 3.25Å; T152-D154 WeakPolarHBondContact CB-OD1 3.35Å; T152-D154 PolarHBondContact O-N 2.91Å; T152-D154 PolarHBondContact OG1-OD1 2.91Å; D154-K156 VanDerWaalsContact C-N 3.29Å; D154-F262 HydrophobicContact CB-CE1 4.33Å; D154-F262 HydrophobicContact CB-CZ 4.19Å; D154-K290 WeakPolarHBondContact OD1-CD 3.44Å; D154-K290 WeakPolarHBondContact OD2-CD 3.45Å; D154-K290 WeakPolarHBondContact OD2-CE 3.39Å; D154-K290 IonicContact OD2-NZ 2.78Å; D154-K290 PolarHBondContact OD2-NZ 3.07Å
155	Q	62.9	Low	70.6	Confident	135 Å²	135	76.4 Å²	76.4	63%	0.631	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-79.4	-15.6	172.4	-61.3	171.9	14.2	0	0	111.8	P151 T152 L153	P151-Q155 HydrophobicContact CB-CB 4.16Å; T152-Q155 WeakPolarHBondContact O-CB 3.13Å; T152-Q155 PolarHBondContact O-N 3.1Å; T152-Q155 VanDerWaalsContact OG1-CD 3.28Å; T152-Q155 WeakPolarHBondContact OG1-CG 3.41Å; T152-Q155 PolarHBondContact OG1-NE2 3.45Å; L153-Q155 PolarHBondContact O-N 2.89Å
156	K	64	Low	70.8	Confident	90 Å²	90	75.4 Å²	75.4	39%	0.391	40%	0.403	S	S	.	.	S	Bend	trans	-84.8	126.8	177.2	-60.1	-177.4	-176.4	172.1	0	109.9	L153 D154 F158 S159	L153-K156 HydrophobicContact CD2-CD 3.8Å; L153-K156 WeakPolarHBondContact O-CB 3.48Å; L153-K156 PolarHBondContact O-N 3.38Å; D154-K156 VanDerWaalsContact C-N 3.29Å; K156-F158 PolarHBondContact O-N 2.91Å; K156-S159 PolarHBondContact O-N 3.24Å; K156-S159 VanDerWaalsContact O-N 3.1Å
157	A	55.9	Low	71.1	Confident	97 Å²	97	73.7 Å²	73.7	80%	0.802	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-22.8	-173.7	0	0	0	0	0	115.6
158	F	59.3	Low	71.3	Confident	172 Å²	172	79.9 Å²	79.9	75%	0.754	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-2	-176	-64.7	-73.3	0	0	0	115	K156	K156-F158 PolarHBondContact O-N 2.91Å
159	S	61.2	Low	71.6	Confident	16 Å²	16	82.9 Å²	82.9	11%	0.112	42%	0.424	C	S	.	.			trans	-92.6	134.5	-178.9	-44.6	0	0	0	0	111.1	L153 K156 A260	L153-S159 WeakPolarHBondContact O-CB 3.46Å; L153-S159 PolarHBondContact O-OG 2.92Å; K156-S159 PolarHBondContact O-N 3.24Å; K156-S159 VanDerWaalsContact O-N 3.1Å; S159-A260 WeakPolarHBondContact CB-O 3.41Å
160	K	67.4	Low	72	Confident	125 Å²	125	79.7 Å²	79.7	54%	0.543	41%	0.406	S	S	.	.			trans	-125.4	140.1	172.3	-64.3	179.1	-178.5	177.6	0	110.7	R162 D261 F262	K160-R162 HydrophobicContact CB-CG 4.15Å; K160-R162 PolarHBondContact O-N 3.36Å; K160-D261 PolarHBondContact N-OD1 2.69Å; K160-D261 WeakPolarHBondContact O-CA 3.19Å; K160-D261 WeakPolarHBondContact O-CB 3.25Å; K160-F262 PolarHBondContact O-N 3.29Å
161	E	76.7	Confident	72.6	Confident	115 Å²	115	76.9 Å²	76.9	54%	0.537	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-66.7	121.5	166.2	-170.6	-179.1	106.7	0	0	108.6	F262 P264	E161-F262 WeakPolarHBondContact CA-O 3.34Å; E161-F262 HydrophobicContact CB-CD2 4.2Å; E161-F262 HydrophobicContact CB-CE2 3.57Å; E161-F262 HydrophobicContact CB-CZ 3.81Å; E161-F262 HydrophobicContact CG-CD2 4.07Å; E161-F262 HydrophobicContact CG-CE2 3.71Å; E161-F262 HydrophobicContact CG-CZ 4.45Å; E161-P264 HydrophobicContact CG-CB 4.25Å; E161-P264 HydrophobicContact CG-CG 3.97Å; E161-P264 WeakPolarHBondContact OE1-CB 3.47Å
162	R	78.9	Confident	72.8	Confident	58 Å²	58	76.2 Å²	76.2	22%	0.219	38%	0.383	C	S	.	.			trans	-138.5	129.4	-177.8	-70	-174.2	178.9	179.7	-21.1	111.4	K160 V164 D221 D261 F262 P264	K160-R162 HydrophobicContact CB-CG 4.15Å; K160-R162 PolarHBondContact O-N 3.36Å; R162-V164 PolarHBondContact O-N 2.73Å; R162-V164 VanDerWaalsContact O-N 3.13Å; R162-D221 IonicContact CZ-OD1 3.69Å; R162-D221 IonicContact NH1-OD1 2.75Å; R162-D221 PolarHBondContact NH1-OD1 3.36Å; R162-D221 IonicContact NH2-OD1 2.74Å; R162-D221 PolarHBondContact NH2-OD1 2.87Å; R162-D261 HydrophobicContact CB-CB 4.44Å; R162-D261 VanDerWaalsContact CD-OD2 3.24Å; R162-D261 WeakPolarHBondContact CD-OD2 3.47Å; R162-D261 HydrophobicContact CG-CB 4.38Å; R162-D261 IonicContact CZ-OD2 2.67Å; R162-D261 IonicContact NE-OD2 2.71Å; R162-D261 PolarHBondContact NE-OD2 3.47Å; R162-D261 IonicContact NH1-OD2 3.71Å; R162-D261 PolarHBondContact NH1-OD2 2.89Å; R162-F262 PolarHBondContact N-O 2.93Å; R162-P264 WeakPolarHBondContact O-CD 3.3Å
163	R	79.4	Confident	73.1	Confident	189 Å²	189	78.6 Å²	78.6	71%	0.713	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-61.5	118.5	175.4	-169.7	-179.1	-177.9	-138.5	0.6	110.1	P264	R163-P264 HydrophobicContact CB-CG 4.41Å
164	V	80.5	Confident	73.5	Confident	7 Å²	7	78.7 Å²	78.7	4%	0.042	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-86.1	128.1	178	-175.2	0	0	0	0	108.9	R162 S166 M263 Q267 Y317	R162-V164 PolarHBondContact O-N 2.73Å; R162-V164 VanDerWaalsContact O-N 3.13Å; V164-S166 PolarHBondContact O-N 3.17Å; V164-M263 HydrophobicContact CG2-CB 3.94Å; V164-Q267 PolarHBondContact O-NE2 3.31Å; V164-Y317 HydrophobicContact CG1-CG 4.44Å; V164-Y317 HydrophobicContact CG2-CD1 3.94Å; V164-Y317 HydrophobicContact CG2-CE1 4.28Å; V164-Y317 HydrophobicContact CG2-CG 4.48Å
165	P	80.6	Confident	73.8	Confident	23 Å²	23	76 Å²	76	15%	0.149	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-66	118.5	178.9	-16.7	29.1	0	0	0	110.9	R171 M226	P165-R171 HydrophobicContact CB-CG 3.72Å; P165-R171 WeakPolarHBondContact O-CG 3.35Å; P165-R171 PolarHBondContact O-NH1 3.46Å; P165-M226 HydrophobicContact CG-SD 4.34Å
166	S	80.3	Confident	74.3	Confident	57 Å²	57	71.1 Å²	71.1	40%	0.399	38%	0.377	S	S	.	.			trans	-94.8	-6.3	-174.5	65.8	0	0	0	0	115	V164 P318	V164-S166 PolarHBondContact O-N 3.17Å; S166-P318 WeakPolarHBondContact CA-O 3.3Å
167	S	82.6	Confident	74.9	Confident	61 Å²	61	70.9 Å²	70.9	43%	0.427	38%	0.38	S	S	.	.	S	Bend	trans	-118.6	146.1	-178.6	66.8	0	0	0	0	110.7	I169 G170 R171	S167-I169 VanDerWaalsContact C-N 3.27Å; S167-I169 PolarHBondContact O-N 3.08Å; S167-G170 PolarHBondContact O-N 3.45Å; S167-G170 VanDerWaalsContact O-N 3.08Å; S167-G170 PolarHBondContact OG-N 2.97Å; S167-G170 VanDerWaalsContact OG-N 3.17Å; S167-R171 WeakPolarHBondContact O-CG 3.47Å; S167-R171 PolarHBondContact O-N 3.28Å
168	R	77	Confident	75.8	Confident	165 Å²	165	66.5 Å²	66.5	62%	0.623	34%	0.343	S	S	*	.	H	α-helix	trans	-51.8	-45	176.4	-70.9	-170.9	-80.7	-151.3	-0.8	112.5	R171 V172 D322	R168-R171 PolarHBondContact O-N 3.39Å; R168-V172 VanDerWaalsContact O-CG2 3.25Å; R168-V172 WeakPolarHBondContact O-CG2 3.43Å; R168-V172 PolarHBondContact O-N 3.15Å; R168-D322 WeakPolarHBondContact CD-O 3.34Å
169	I	77.8	Confident	76.3	Confident	146 Å²	146	59.5 Å²	59.5	75%	0.749	32%	0.317	S	S	*	.	H	α-helix	trans	-64.8	-44.5	178.6	-61.5	170.6	0	0	0	111.2	S167 R171 V172 A173	S167-I169 VanDerWaalsContact C-N 3.27Å; S167-I169 PolarHBondContact O-N 3.08Å; I169-R171 VanDerWaalsContact C-N 3.26Å; I169-R171 PolarHBondContact O-N 2.86Å; I169-V172 PolarHBondContact O-N 3.36Å; I169-A173 WeakPolarHBondContact O-CB 3.37Å; I169-A173 PolarHBondContact O-N 2.85Å
170	G	78.9	Confident	76.8	Confident	28 Å²	28	62 Å²	62	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-35.2	177.5	0	0	0	0	0	112.9	S167 G174	S167-G170 PolarHBondContact O-N 3.45Å; S167-G170 VanDerWaalsContact O-N 3.08Å; S167-G170 PolarHBondContact OG-N 2.97Å; S167-G170 VanDerWaalsContact OG-N 3.17Å; G170-G174 PolarHBondContact O-N 2.76Å
171	R	81.3	Confident	76.9	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-69.5	-48.3	175	-69.5	179.8	84.6	90.5	-1.6	111.9	P165 S167 R168 I169 A173 G174 F175 M226 S323 D327	P165-R171 HydrophobicContact CB-CG 3.72Å; P165-R171 WeakPolarHBondContact O-CG 3.35Å; P165-R171 PolarHBondContact O-NH1 3.46Å; S167-R171 WeakPolarHBondContact O-CG 3.47Å; S167-R171 PolarHBondContact O-N 3.28Å; R168-R171 PolarHBondContact O-N 3.39Å; I169-R171 VanDerWaalsContact C-N 3.26Å; I169-R171 PolarHBondContact O-N 2.86Å; R171-A173 VanDerWaalsContact C-N 3.28Å; R171-A173 PolarHBondContact O-N 2.88Å; R171-G174 WeakPolarHBondContact O-CA 3.4Å; R171-G174 PolarHBondContact O-N 3.21Å; R171-F175 WeakPolarHBondContact O-CD2 3.42Å; R171-F175 PolarHBondContact O-N 3.43Å; R171-M226 VanDerWaalsContact CA-CE 3.5Å; R171-M226 HydrophobicContact CB-CE 3.42Å; R171-M226 VanDerWaalsContact CB-CE 3.42Å; R171-M226 HydrophobicContact CG-CE 3.8Å; R171-M226 PolarHBondContact NH2-O 3.37Å; R171-M226 WeakPolarHBondContact O-CE 3.2Å; R171-S323 WeakPolarHBondContact CD-OG 3.46Å; R171-D327 IonicContact CZ-OD2 2.71Å; R171-D327 IonicContact NE-OD1 2.81Å; R171-D327 PolarHBondContact NE-OD1 2.92Å; R171-D327 IonicContact NE-OD2 2.65Å; R171-D327 PolarHBondContact NE-OD2 3.03Å; R171-D327 IonicContact NH2-OD2 3.6Å; R171-D327 PolarHBondContact NH2-OD2 3.04Å
172	V	76	Confident	76.4	Confident	43 Å²	43	51.7 Å²	51.7	26%	0.261	29%	0.285	S	S	.	.	H	α-helix	trans	-55.3	-44	173.7	172.8	0	0	0	0	111.2	L84 R168 I169 G174 F175 G176 N330	L84-V172 HydrophobicContact CD1-CG1 4.49Å; R168-V172 VanDerWaalsContact O-CG2 3.25Å; R168-V172 WeakPolarHBondContact O-CG2 3.43Å; R168-V172 PolarHBondContact O-N 3.15Å; I169-V172 PolarHBondContact O-N 3.36Å; V172-G174 PolarHBondContact O-N 3.15Å; V172-F175 PolarHBondContact O-N 2.92Å; V172-F175 VanDerWaalsContact O-N 3.16Å; V172-G176 PolarHBondContact O-N 3.47Å; V172-N330 WeakPolarHBondContact CG2-ND2 2.97Å
173	A	79.6	Confident	75.8	Confident	59 Å²	59	51.6 Å²	51.6	49%	0.488	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-34.8	176.5	0	0	0	0	0	112.4	I169 R171 G176 N177	I169-A173 WeakPolarHBondContact O-CB 3.37Å; I169-A173 PolarHBondContact O-N 2.85Å; R171-A173 VanDerWaalsContact C-N 3.28Å; R171-A173 PolarHBondContact O-N 2.88Å; A173-G176 PolarHBondContact O-N 3.4Å; A173-N177 WeakPolarHBondContact O-CB 3.42Å; A173-N177 PolarHBondContact O-N 3.41Å
174	G	75.5	Confident	75	Confident	4 Å²	4	47.2 Å²	47.2	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-48.6	172.6	0	0	0	0	0	112.7	G170 R171 V172 N177 L178	G170-G174 PolarHBondContact O-N 2.76Å; R171-G174 WeakPolarHBondContact O-CA 3.4Å; R171-G174 PolarHBondContact O-N 3.21Å; V172-G174 PolarHBondContact O-N 3.15Å; G174-N177 PolarHBondContact O-N 2.97Å; G174-L178 PolarHBondContact O-N 3.32Å; G174-L178 VanDerWaalsContact O-N 3.15Å
175	F	73.7	Confident	73.9	Confident	5 Å²	5	47.3 Å²	47.3	2%	0.022	29%	0.289	C	S	.	.	H	α-helix	trans	-67.4	-38.9	176	-71.2	-64.5	0	0	0	113.1	R171 V172 N177 L178 A179 M226 D327 N330 L331 L334	R171-F175 WeakPolarHBondContact O-CD2 3.42Å; R171-F175 PolarHBondContact O-N 3.43Å; V172-F175 PolarHBondContact O-N 2.92Å; V172-F175 VanDerWaalsContact O-N 3.16Å; F175-N177 VanDerWaalsContact C-N 3.33Å; F175-N177 PolarHBondContact O-N 3.21Å; F175-L178 WeakPolarHBondContact O-CB 3.5Å; F175-L178 PolarHBondContact O-N 3.32Å; F175-A179 PolarHBondContact O-N 2.91Å; F175-M226 HydrophobicContact CD2-CE 3.76Å; F175-M226 HydrophobicContact CE1-CG 4.17Å; F175-M226 HydrophobicContact CE2-CE 3.27Å; F175-M226 HydrophobicContact CE2-CG 4.35Å; F175-M226 HydrophobicContact CE2-SD 4.49Å; F175-M226 HydrophobicContact CZ-CB 4.21Å; F175-M226 HydrophobicContact CZ-CE 3.8Å; F175-M226 HydrophobicContact CZ-CG 4.03Å; F175-D327 HydrophobicContact CE2-CB 3.94Å; F175-D327 WeakPolarHBondContact CE2-OD1 3.09Å; F175-D327 HydrophobicContact CZ-CB 4.19Å; F175-N330 HydrophobicContact CB-CB 4.18Å; F175-N330 HydrophobicContact CD2-CB 3.61Å; F175-N330 HydrophobicContact CE2-CB 4.06Å; F175-N330 HydrophobicContact CG-CB 3.86Å; F175-L331 HydrophobicContact CE1-CB 4.07Å; F175-L331 HydrophobicContact CE1-CD1 4.3Å; F175-L331 HydrophobicContact CZ-CB 4.34Å; F175-L334 HydrophobicContact CB-CD1 3.94Å; F175-L334 HydrophobicContact CD1-CD1 3.71Å; F175-L334 HydrophobicContact CG-CD1 4.23Å
176	G	74.3	Confident	72.9	Confident	34 Å²	34	46.6 Å²	46.6	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-42.8	174.3	0	0	0	0	0	112.2	V172 A173 L178 A179 L180	V172-G176 PolarHBondContact O-N 3.47Å; A173-G176 PolarHBondContact O-N 3.4Å; G176-L178 VanDerWaalsContact C-N 3.33Å; G176-L178 PolarHBondContact O-N 3.16Å; G176-A179 PolarHBondContact O-N 3.24Å; G176-L180 WeakPolarHBondContact O-CG 3.27Å; G176-L180 PolarHBondContact O-N 3.08Å
177	N	76.7	Confident	71.9	Confident	85 Å²	85	46.5 Å²	46.5	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-38.5	175.2	-172.5	65.3	0	0	0	112.1	A173 G174 F175 L180 S181	A173-N177 WeakPolarHBondContact O-CB 3.42Å; A173-N177 PolarHBondContact O-N 3.41Å; G174-N177 PolarHBondContact O-N 2.97Å; F175-N177 VanDerWaalsContact C-N 3.33Å; F175-N177 PolarHBondContact O-N 3.21Å; N177-L180 PolarHBondContact O-N 3.33Å; N177-S181 VanDerWaalsContact O-CB 3.27Å; N177-S181 WeakPolarHBondContact O-CB 3.42Å; N177-S181 PolarHBondContact O-N 3.19Å; N177-S181 PolarHBondContact O-OG 2.99Å
178	L	73.4	Confident	70.5	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-49.8	173.8	179	60.3	0	0	0	111.2	G174 F175 G176 L180 S181 L182 V219 T222 L334	G174-L178 PolarHBondContact O-N 3.32Å; G174-L178 VanDerWaalsContact O-N 3.15Å; F175-L178 WeakPolarHBondContact O-CB 3.5Å; F175-L178 PolarHBondContact O-N 3.32Å; G176-L178 VanDerWaalsContact C-N 3.33Å; G176-L178 PolarHBondContact O-N 3.16Å; L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 3.36Å; L178-S181 WeakPolarHBondContact CA-OG 3.39Å; L178-S181 PolarHBondContact O-N 3.22Å; L178-S181 VanDerWaalsContact O-N 3.08Å; L178-S181 PolarHBondContact O-OG 2.95Å; L178-L182 HydrophobicContact CD1-CD1 4.17Å; L178-L182 HydrophobicContact CD1-CG 4.05Å; L178-L182 HydrophobicContact CG-CD1 4.05Å; L178-L182 HydrophobicContact CG-CG 4.34Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 3.15Å; L178-V219 HydrophobicContact CD1-CB 4.2Å; L178-V219 HydrophobicContact CD1-CG2 3.73Å; L178-V219 HydrophobicContact CD2-CG1 4.5Å; L178-V219 HydrophobicContact CD2-CG2 4.42Å; L178-T222 HydrophobicContact CB-CG2 4Å; L178-T222 HydrophobicContact CD2-CG2 4.26Å; L178-L334 HydrophobicContact CD2-CD1 4.36Å
179	A	70.9	Confident	69.4	Low	25 Å²	25	40.1 Å²	40.1	21%	0.207	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-45.9	178.2	0	0	0	0	0	112.1	F175 G176 L182 S183 L334	F175-A179 PolarHBondContact O-N 2.91Å; G176-A179 PolarHBondContact O-N 3.24Å; A179-L182 PolarHBondContact O-N 3.17Å; A179-S183 WeakPolarHBondContact O-CB 3.32Å; A179-S183 PolarHBondContact O-N 3.37Å; A179-S183 PolarHBondContact O-OG 3.39Å; A179-L334 HydrophobicContact CB-CD2 3.64Å
180	L	70.7	Confident	68.4	Low	67 Å²	67	39.9 Å²	39.9	35%	0.351	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-47.3	175.1	-72	173.2	0	0	0	110.8	G176 N177 L178 L182 S183 V184	G176-L180 WeakPolarHBondContact O-CG 3.27Å; G176-L180 PolarHBondContact O-N 3.08Å; N177-L180 PolarHBondContact O-N 3.33Å; L178-L180 VanDerWaalsContact C-N 3.31Å; L178-L180 PolarHBondContact O-N 3.36Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 3.27Å; L180-S183 PolarHBondContact O-N 3.34Å; L180-S183 PolarHBondContact O-OG 2.87Å; L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 2.87Å
181	S	69.1	Low	67.3	Low	20 Å²	20	40.7 Å²	40.7	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-36.9	-178.1	79.3	0	0	0	0	113.5	N177 L178 G185	N177-S181 VanDerWaalsContact O-CB 3.27Å; N177-S181 WeakPolarHBondContact O-CB 3.42Å; N177-S181 PolarHBondContact O-N 3.19Å; N177-S181 PolarHBondContact O-OG 2.99Å; L178-S181 WeakPolarHBondContact CA-OG 3.39Å; L178-S181 PolarHBondContact O-N 3.22Å; L178-S181 VanDerWaalsContact O-N 3.08Å; L178-S181 PolarHBondContact O-OG 2.95Å; S181-G185 PolarHBondContact O-N 2.87Å
182	L	67.8	Low	66.1	Low	5 Å²	5	44.9 Å²	44.9	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-42.6	173.7	-70.7	178.6	0	0	0	111	L178 A179 L180 G185 A186 F210 N215 V219 F338	L178-L182 HydrophobicContact CD1-CD1 4.17Å; L178-L182 HydrophobicContact CD1-CG 4.05Å; L178-L182 HydrophobicContact CG-CD1 4.05Å; L178-L182 HydrophobicContact CG-CG 4.34Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 3.15Å; A179-L182 PolarHBondContact O-N 3.17Å; L180-L182 VanDerWaalsContact C-N 3.34Å; L180-L182 PolarHBondContact O-N 3.27Å; L182-G185 PolarHBondContact O-N 3Å; L182-A186 VanDerWaalsContact O-CB 3.29Å; L182-A186 WeakPolarHBondContact O-CB 3.45Å; L182-A186 PolarHBondContact O-N 3.22Å; L182-F210 WeakPolarHBondContact CD2-O 3.4Å; L182-N215 HydrophobicContact CD2-CB 3.6Å; L182-N215 PolarHBondContact O-ND2 3.14Å; L182-V219 HydrophobicContact CD1-CG2 4.11Å; L182-V219 HydrophobicContact CD2-CG2 3.73Å; L182-V219 HydrophobicContact CG-CG2 4.33Å; L182-F338 HydrophobicContact CB-CE1 4.37Å; L182-F338 HydrophobicContact CB-CZ 3.86Å; L182-F338 HydrophobicContact CD1-CD2 4.14Å; L182-F338 HydrophobicContact CD1-CE1 4.3Å; L182-F338 HydrophobicContact CD1-CE2 3.33Å; L182-F338 HydrophobicContact CD1-CZ 3.43Å; L182-F338 VanDerWaalsContact CD1-CZ 3.43Å; L182-F338 HydrophobicContact CG-CZ 4.29Å
183	S	66.1	Low	65.1	Low	55 Å²	55	48.4 Å²	48.4	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-40.5	178.2	72.8	0	0	0	0	113.1	A179 L180 A187	A179-S183 WeakPolarHBondContact O-CB 3.32Å; A179-S183 PolarHBondContact O-N 3.37Å; A179-S183 PolarHBondContact O-OG 3.39Å; L180-S183 PolarHBondContact O-N 3.34Å; L180-S183 PolarHBondContact O-OG 2.87Å; S183-A187 WeakPolarHBondContact O-CB 3.45Å; S183-A187 PolarHBondContact O-N 3.32Å
184	V	63.1	Low	64	Low	98 Å²	98	52.5 Å²	52.5	59%	0.594	30%	0.297	S	S	*	.	H	α-helix	trans	-68.2	-42.8	175.5	171.9	0	0	0	0	110.6	L180 A187 S188	L180-V184 WeakPolarHBondContact O-CG2 3.46Å; L180-V184 PolarHBondContact O-N 2.87Å; V184-A187 PolarHBondContact O-N 3.43Å; V184-S188 PolarHBondContact O-N 2.81Å
185	G	57.1	Low	63.2	Low	8 Å²	8	57.8 Å²	57.8	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-42	176.3	0	0	0	0	0	112.2	S181 L182 S188 E189 N215	S181-G185 PolarHBondContact O-N 2.87Å; L182-G185 PolarHBondContact O-N 3Å; G185-S188 WeakPolarHBondContact O-CB 3.48Å; G185-S188 PolarHBondContact O-N 3.14Å; G185-E189 PolarHBondContact O-N 3.46Å; G185-N215 WeakPolarHBondContact CA-OD1 3.35Å
186	A	59.2	Low	61.9	Low	8 Å²	8	60.4 Å²	60.4	7%	0.066	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-39.1	176.3	0	0	0	0	0	112.5	L182 S188 E189 W190 V209 F210	L182-A186 VanDerWaalsContact O-CB 3.29Å; L182-A186 WeakPolarHBondContact O-CB 3.45Å; L182-A186 PolarHBondContact O-N 3.22Å; A186-S188 VanDerWaalsContact C-N 3.33Å; A186-E189 PolarHBondContact O-N 2.96Å; A186-W190 VanDerWaalsContact O-CB 3.31Å; A186-W190 WeakPolarHBondContact O-CB 3.39Å; A186-W190 PolarHBondContact O-N 3.17Å; A186-V209 HydrophobicContact CB-CB 4.46Å; A186-V209 HydrophobicContact CB-CG1 4.03Å; A186-V209 WeakPolarHBondContact O-CG1 3.38Å; A186-F210 HydrophobicContact CB-CD1 3.35Å; A186-F210 HydrophobicContact CB-CE1 3.44Å; A186-F210 VanDerWaalsContact CB-CE1 3.44Å; A186-F210 HydrophobicContact CB-CG 4.08Å; A186-F210 HydrophobicContact CB-CZ 4.23Å
187	A	58.3	Low	60.4	Low	56 Å²	56	66.7 Å²	66.7	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-39.1	173.4	0	0	0	0	0	111.9	S183 V184 A191	S183-A187 WeakPolarHBondContact O-CB 3.45Å; S183-A187 PolarHBondContact O-N 3.32Å; V184-A187 PolarHBondContact O-N 3.43Å; A187-A191 VanDerWaalsContact O-CB 3.3Å; A187-A191 WeakPolarHBondContact O-CB 3.35Å; A187-A191 PolarHBondContact O-N 3.25Å
188	S	53.8	Low	58.6	Low	56 Å²	56	68.2 Å²	68.2	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-65.2	-42.9	174.8	-178.2	0	0	0	0	112.2	V184 G185 A186 A191 K192	V184-S188 PolarHBondContact O-N 2.81Å; G185-S188 WeakPolarHBondContact O-CB 3.48Å; G185-S188 PolarHBondContact O-N 3.14Å; A186-S188 VanDerWaalsContact C-N 3.33Å; S188-A191 PolarHBondContact O-N 2.8Å; S188-K192 WeakPolarHBondContact O-CG 3.4Å; S188-K192 PolarHBondContact O-N 3.18Å
189	E	55.1	Low	57.2	Low	35 Å²	35	72 Å²	72	16%	0.164	41%	0.408	C	S	.	.	H	α-helix	trans	-69	-39.4	178	-74.9	-53.1	139.3	0	0	111.8	G185 A186 A191 K192 Q193 V209	G185-E189 PolarHBondContact O-N 3.46Å; A186-E189 PolarHBondContact O-N 2.96Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.18Å; E189-K192 PolarHBondContact O-N 3.31Å; E189-K192 IonicContact OE1-NZ 3.15Å; E189-K192 PolarHBondContact OE1-NZ 3.49Å; E189-Q193 WeakPolarHBondContact O-CB 3.18Å; E189-Q193 WeakPolarHBondContact O-CG 3.34Å; E189-Q193 PolarHBondContact O-N 3.04Å; E189-V209 HydrophobicContact CB-CG1 3.8Å
190	W	55.9	Low	55.7	Low	141 Å²	141	76.5 Å²	76.5	53%	0.534	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-40.9	171.9	-176.5	82.4	0	0	0	112.3	A186 Q193 K194	A186-W190 VanDerWaalsContact O-CB 3.31Å; A186-W190 WeakPolarHBondContact O-CB 3.39Å; A186-W190 PolarHBondContact O-N 3.17Å; W190-Q193 PolarHBondContact O-N 3.46Å; W190-K194 HydrophobicContact CD2-CD 4.21Å; W190-K194 HydrophobicContact CD2-CG 4.48Å; W190-K194 HydrophobicContact CE3-CD 4.27Å; W190-K194 HydrophobicContact CH2-CD 3.66Å; W190-K194 VanDerWaalsContact CH2-NZ 3.34Å; W190-K194 HydrophobicContact CZ2-CD 3.57Å; W190-K194 HydrophobicContact CZ3-CD 3.99Å; W190-K194 WeakPolarHBondContact O-CB 3.4Å; W190-K194 PolarHBondContact O-N 3.2Å
191	A	55.7	Low	54	Low	45 Å²	45	76.4 Å²	76.4	37%	0.372	45%	0.454	S	S	.	.	H	α-helix	trans	-64.4	-43.2	175	0	0	0	0	0	111.8	A187 S188 E189 K194 V195	A187-A191 VanDerWaalsContact O-CB 3.3Å; A187-A191 WeakPolarHBondContact O-CB 3.35Å; A187-A191 PolarHBondContact O-N 3.25Å; S188-A191 PolarHBondContact O-N 2.8Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.18Å; A191-K194 PolarHBondContact O-N 3.01Å; A191-V195 WeakPolarHBondContact O-CB 3.49Å; A191-V195 VanDerWaalsContact O-CG2 3.3Å; A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 3.37Å
192	K	56.5	Low	52.1	Low	88 Å²	88	80 Å²	80	38%	0.383	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-43.9	175.4	-73.9	175.9	-171.9	170.1	0	112.3	S188 E189 K194 V195 G196 Y197	S188-K192 WeakPolarHBondContact O-CG 3.4Å; S188-K192 PolarHBondContact O-N 3.18Å; E189-K192 PolarHBondContact O-N 3.31Å; E189-K192 IonicContact OE1-NZ 3.15Å; E189-K192 PolarHBondContact OE1-NZ 3.49Å; K192-K194 VanDerWaalsContact C-N 3.33Å; K192-K194 PolarHBondContact O-N 3.31Å; K192-V195 PolarHBondContact O-N 3.36Å; K192-G196 PolarHBondContact O-N 2.86Å; K192-Y197 PolarHBondContact O-N 2.86Å; K192-Y197 VanDerWaalsContact O-N 3.1Å
193	Q	55	Low	50.4	Low	118 Å²	118	85.6 Å²	85.6	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-61	-41.2	175.5	-79	-178.8	-9.1	0	0	111.7	E189 W190 G196	E189-Q193 WeakPolarHBondContact O-CB 3.18Å; E189-Q193 WeakPolarHBondContact O-CG 3.34Å; E189-Q193 PolarHBondContact O-N 3.04Å; W190-Q193 PolarHBondContact O-N 3.46Å; Q193-G196 PolarHBondContact O-N 2.95Å
194	K	55.4	Low	48.9	Very low	144 Å²	144	86.4 Å²	86.4	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-72.6	-32.4	178.5	-82.6	-159.3	166.6	-171.2	0	114.6	W190 A191 K192 G196	W190-K194 HydrophobicContact CD2-CD 4.21Å; W190-K194 HydrophobicContact CD2-CG 4.48Å; W190-K194 HydrophobicContact CE3-CD 4.27Å; W190-K194 HydrophobicContact CH2-CD 3.66Å; W190-K194 VanDerWaalsContact CH2-NZ 3.34Å; W190-K194 HydrophobicContact CZ2-CD 3.57Å; W190-K194 HydrophobicContact CZ3-CD 3.99Å; W190-K194 WeakPolarHBondContact O-CB 3.4Å; W190-K194 PolarHBondContact O-N 3.2Å; A191-K194 PolarHBondContact O-N 3.01Å; K192-K194 VanDerWaalsContact C-N 3.33Å; K192-K194 PolarHBondContact O-N 3.31Å; K194-G196 PolarHBondContact O-N 2.88Å
195	V	59.2	Low	47.5	Very low	115 Å²	115	86.9 Å²	86.9	70%	0.697	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	0.2	178.3	179.4	0	0	0	0	111.6	A191 K192	A191-V195 WeakPolarHBondContact O-CB 3.49Å; A191-V195 VanDerWaalsContact O-CG2 3.3Å; A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 3.37Å; K192-V195 PolarHBondContact O-N 3.36Å
196	G	47.5	Very low	46.6	Very low	60 Å²	60	92.5 Å²	92.5	62%	0.619	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.3	23.8	173.6	0	0	0	0	0	113.9	K192 Q193 K194	K192-G196 PolarHBondContact O-N 2.86Å; Q193-G196 PolarHBondContact O-N 2.95Å; K194-G196 PolarHBondContact O-N 2.88Å
197	Y	41.8	Very low	46	Very low	167 Å²	167	95.5 Å²	95.5	66%	0.655	60%	0.595	S	S	*	*			trans	-66	127.3	171.2	-109.5	-89	0	0	0	109.2	K192 V199	K192-Y197 PolarHBondContact O-N 2.86Å; K192-Y197 VanDerWaalsContact O-N 3.1Å; Y197-V199 PolarHBondContact O-N 3.03Å
198	P	38.7	Very low	45.7	Very low	116 Å²	116	96.1 Å²	96.1	75%	0.753	59%	0.59	S	S	*	*			trans	-67.2	101.2	178.9	26.2	-30.6	0	0	0	108.3	S200	P198-S200 PolarHBondContact O-N 2.91Å; P198-S200 VanDerWaalsContact O-N 3.15Å
199	V	43.7	Very low	45.7	Very low	85 Å²	85	95.7 Å²	95.7	52%	0.515	59%	0.585	S	S	.	*			trans	-73.2	106.2	165.9	-178.2	0	0	0	0	105.7	Y197 G201	Y197-V199 PolarHBondContact O-N 3.03Å; V199-G201 PolarHBondContact O-N 3.29Å; V199-G201 VanDerWaalsContact O-N 3.12Å
200	S	39.9	Very low	45.7	Very low	120 Å²	120	97.6 Å²	97.6	84%	0.839	59%	0.593	S	S	*	*	S	Bend	trans	-50.4	111.7	171.6	43.1	0	0	0	0	110.2	P198	P198-S200 PolarHBondContact O-N 2.91Å; P198-S200 VanDerWaalsContact O-N 3.15Å
201	G	34.8	Very low	45.9	Very low	65 Å²	65	92 Å²	92	67%	0.67	57%	0.573	S	S	*	*			trans	129.5	81.6	175.9	0	0	0	0	0	113	V199	V199-G201 PolarHBondContact O-N 3.29Å; V199-G201 VanDerWaalsContact O-N 3.12Å
202	A	30	Very low	46.4	Very low	96 Å²	96	91.1 Å²	91.1	79%	0.793	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	144.1	166.7	0	0	0	0	0	111.3
203	S	32.4	Very low	46.7	Very low	122 Å²	122	92.5 Å²	92.5	85%	0.853	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.3	13.2	160.6	-45.5	0	0	0	0	120.2
204	A	33.1	Very low	47.3	Very low	72 Å²	72	89.6 Å²	89.6	60%	0.595	57%	0.568	S	S	*	*			trans	-77.5	137.1	162.2	0	0	0	0	0	109.5
205	P	34.5	Very low	48	Very low	107 Å²	107	82.8 Å²	82.8	70%	0.695	54%	0.539	S	S	*	.			trans	-51.6	173	163.1	-16.1	28.1	0	0	0	109.4	S207	P205-S207 PolarHBondContact O-N 2.8Å
206	P	39	Very low	48.3	Very low	127 Å²	127	77.8 Å²	77.8	83%	0.825	51%	0.508	S	S	*	.			trans	-63.9	79.4	173.4	29.1	-33	0	0	0	109.1	N208	P206-N208 PolarHBondContact O-N 2.78Å
207	S	46.8	Very low	49.4	Very low	71 Å²	71	79.7 Å²	79.7	50%	0.497	50%	0.501	S	S	.	.			trans	-54	122.9	167	48.2	0	0	0	0	103.6	P205 V209	P205-S207 PolarHBondContact O-N 2.8Å; S207-V209 PolarHBondContact O-N 2.97Å
208	N	51.4	Low	50.9	Low	69 Å²	69	75.7 Å²	75.7	37%	0.369	49%	0.487	S	S	.	.			trans	-35.2	114.6	-178.4	-90.3	-28.9	0	0	0	108.3	P206 F210 L211 F338	P206-N208 PolarHBondContact O-N 2.78Å; N208-F210 CarbonylContact O-C 3.57Å; N208-F210 PolarHBondContact O-N 2.7Å; N208-L211 HydrophobicContact CB-CB 4.4Å; N208-L211 HydrophobicContact CB-CD1 4.14Å; N208-L211 HydrophobicContact CB-CG 4.08Å; N208-L211 PolarHBondContact O-N 3.16Å; N208-F338 PolarHBondContact ND2-O 3.19Å
209	V	53.1	Low	52.5	Low	47 Å²	47	71.1 Å²	71.1	29%	0.285	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-53.4	-19.7	-175.8	-177.5	0	0	0	0	111.3	A186 E189 S207	A186-V209 HydrophobicContact CB-CB 4.46Å; A186-V209 HydrophobicContact CB-CG1 4.03Å; A186-V209 WeakPolarHBondContact O-CG1 3.38Å; E189-V209 HydrophobicContact CB-CG1 3.8Å; S207-V209 PolarHBondContact O-N 2.97Å
210	F	56	Low	53.8	Low	75 Å²	75	67.5 Å²	67.5	33%	0.329	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-69.2	-27.2	171.7	-59.2	-72	0	0	0	115.7	L182 A186 N208 N215 F338	L182-F210 WeakPolarHBondContact CD2-O 3.4Å; A186-F210 HydrophobicContact CB-CD1 3.35Å; A186-F210 HydrophobicContact CB-CE1 3.44Å; A186-F210 VanDerWaalsContact CB-CE1 3.44Å; A186-F210 HydrophobicContact CB-CG 4.08Å; A186-F210 HydrophobicContact CB-CZ 4.23Å; N208-F210 CarbonylContact O-C 3.57Å; N208-F210 PolarHBondContact O-N 2.7Å; F210-N215 WeakPolarHBondContact O-CB 3.46Å; F210-N215 PolarHBondContact O-ND2 2.95Å; F210-F338 HydrophobicContact CB-CD1 3.82Å; F210-F338 HydrophobicContact CB-CE1 3.92Å; F210-F338 HydrophobicContact CD1-CD1 4.06Å; F210-F338 AromaticContact CD1-CE1 3.47Å; F210-F338 HydrophobicContact CD1-CE1 3.47Å; F210-F338 VanDerWaalsContact CD1-CE1 3.47Å; F210-F338 HydrophobicContact CD1-CZ 4.48Å; F210-F338 AromaticContact CD2-CD1 3.82Å; F210-F338 HydrophobicContact CD2-CD1 3.82Å; F210-F338 HydrophobicContact CD2-CE1 4.08Å; F210-F338 AromaticContact CE1-CE1 3.96Å; F210-F338 HydrophobicContact CE1-CE1 3.96Å; F210-F338 HydrophobicContact CE2-CD1 4.42Å; F210-F338 HydrophobicContact CE2-CE1 4.5Å; F210-F338 AromaticContact CG-CD1 3.61Å; F210-F338 HydrophobicContact CG-CD1 3.61Å; F210-F338 AromaticContact CG-CE1 3.54Å; F210-F338 HydrophobicContact CG-CE1 3.54Å; F210-F338 HydrophobicContact CZ-CE1 4.45Å
211	L	60.1	Low	55.5	Low	22 Å²	22	64.9 Å²	64.9	12%	0.115	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-100.6	32	-175.6	-62.8	-178.6	0	0	0	112.8	N208 L216 V249	N208-L211 HydrophobicContact CB-CB 4.4Å; N208-L211 HydrophobicContact CB-CD1 4.14Å; N208-L211 HydrophobicContact CB-CG 4.08Å; N208-L211 PolarHBondContact O-N 3.16Å; L211-L216 HydrophobicContact CB-CD2 3.96Å; L211-L216 HydrophobicContact CD2-CD2 3.7Å; L211-L216 HydrophobicContact CG-CD2 4.35Å; L211-L216 WeakPolarHBondContact O-CD1 3.45Å; L211-V249 HydrophobicContact CD1-CG2 4.29Å
212	S	64.7	Low	57.5	Low	28 Å²	28	62 Å²	62	20%	0.196	38%	0.381	C	S	.	.			trans	-60.4	153.7	167.3	67.4	0	0	0	0	110.9	A214 N215 L216	S212-A214 VanDerWaalsContact C-N 3.26Å; S212-A214 PolarHBondContact O-N 3.34Å; S212-N215 CarbonylContact O-C 3.58Å; S212-N215 WeakPolarHBondContact O-CA 3.28Å; S212-N215 WeakPolarHBondContact O-CB 3.36Å; S212-N215 PolarHBondContact O-N 3.07Å; S212-L216 WeakPolarHBondContact O-CG 3.29Å; S212-L216 PolarHBondContact O-N 2.81Å
213	E	64.3	Low	59.6	Low	117 Å²	117	57.6 Å²	57.6	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-55.3	-40.9	-176.4	-164.2	137.5	-146.3	0	0	112.6	N215 L216 E217 R251	E213-N215 VanDerWaalsContact C-N 3.3Å; E213-N215 PolarHBondContact O-N 2.69Å; E213-L216 WeakPolarHBondContact O-CB 3.02Å; E213-L216 PolarHBondContact O-N 2.81Å; E213-E217 WeakPolarHBondContact O-CG 3.29Å; E213-E217 PolarHBondContact O-N 2.79Å; E213-R251 IonicContact OE1-NH1 3.95Å; E213-R251 PolarHBondContact OE1-NH1 2.89Å
214	A	67.3	Low	61.7	Low	56 Å²	56	52 Å²	52	46%	0.463	31%	0.305	S	S	.	.	H	α-helix	trans	-64.2	-31.1	174.8	0	0	0	0	0	113.9	S212 K218	S212-A214 VanDerWaalsContact C-N 3.26Å; S212-A214 PolarHBondContact O-N 3.34Å; A214-K218 WeakPolarHBondContact O-CG 3.19Å
215	N	68.8	Low	63.8	Low	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-78.4	-38	174.4	-82.8	-6	0	0	0	111.6	L182 G185 F210 S212 E213 E217 K218 V219	L182-N215 HydrophobicContact CD2-CB 3.6Å; L182-N215 PolarHBondContact O-ND2 3.14Å; G185-N215 WeakPolarHBondContact CA-OD1 3.35Å; F210-N215 WeakPolarHBondContact O-CB 3.46Å; F210-N215 PolarHBondContact O-ND2 2.95Å; S212-N215 CarbonylContact O-C 3.58Å; S212-N215 WeakPolarHBondContact O-CA 3.28Å; S212-N215 WeakPolarHBondContact O-CB 3.36Å; S212-N215 PolarHBondContact O-N 3.07Å; E213-N215 VanDerWaalsContact C-N 3.3Å; E213-N215 PolarHBondContact O-N 2.69Å; N215-E217 VanDerWaalsContact C-N 3.3Å; N215-E217 PolarHBondContact O-N 3.21Å; N215-K218 WeakPolarHBondContact O-CB 3.05Å; N215-K218 PolarHBondContact O-N 3.01Å; N215-K218 VanDerWaalsContact O-N 3.14Å; N215-V219 WeakPolarHBondContact O-CG2 3.2Å; N215-V219 PolarHBondContact O-N 2.8Å
216	L	66.1	Low	65.8	Low	10 Å²	10	47.1 Å²	47.1	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-42.9	174.4	-66.3	173.3	0	0	0	110.7	L211 S212 E213 K218 V219 V220 Q248 I252	L211-L216 HydrophobicContact CB-CD2 3.96Å; L211-L216 HydrophobicContact CD2-CD2 3.7Å; L211-L216 HydrophobicContact CG-CD2 4.35Å; L211-L216 WeakPolarHBondContact O-CD1 3.45Å; S212-L216 WeakPolarHBondContact O-CG 3.29Å; S212-L216 PolarHBondContact O-N 2.81Å; E213-L216 WeakPolarHBondContact O-CB 3.02Å; E213-L216 PolarHBondContact O-N 2.81Å; L216-K218 VanDerWaalsContact C-N 3.31Å; L216-K218 PolarHBondContact O-N 3.44Å; L216-V219 WeakPolarHBondContact O-CB 3.35Å; L216-V219 PolarHBondContact O-N 2.76Å; L216-V219 VanDerWaalsContact O-N 3.15Å; L216-V220 WeakPolarHBondContact O-CG2 3.34Å; L216-V220 PolarHBondContact O-N 3.1Å; L216-Q248 HydrophobicContact CD1-CB 3.65Å; L216-Q248 HydrophobicContact CD1-CG 3.86Å; L216-I252 HydrophobicContact CB-CD1 3.78Å; L216-I252 HydrophobicContact CB-CG1 4.2Å; L216-I252 HydrophobicContact CD2-CD1 3.29Å; L216-I252 HydrophobicContact CD2-CG1 4.21Å; L216-I252 HydrophobicContact CG-CD1 4.08Å
217	E	71.8	Confident	67.7	Low	100 Å²	100	41.4 Å²	41.4	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-36.4	175.9	-67.3	-158.4	136.2	0	0	113.2	E213 N215 V220 D221 R255	E213-E217 WeakPolarHBondContact O-CG 3.29Å; E213-E217 PolarHBondContact O-N 2.79Å; N215-E217 VanDerWaalsContact C-N 3.3Å; N215-E217 PolarHBondContact O-N 3.21Å; E217-V220 PolarHBondContact O-N 3.09Å; E217-D221 WeakPolarHBondContact O-CB 3.44Å; E217-D221 PolarHBondContact O-N 3.37Å; E217-R255 IonicContact OE1-CZ 3.14Å; E217-R255 IonicContact OE1-NH1 2.66Å; E217-R255 PolarHBondContact OE1-NH1 3.26Å; E217-R255 IonicContact OE1-NH2 3.17Å
218	K	73.1	Confident	69.3	Low	84 Å²	84	38 Å²	38	37%	0.365	20%	0.196	S	C	.	.	H	α-helix	trans	-69.6	-35	174.9	-64.1	171	-165.1	164.7	0	112.1	A214 N215 L216 T222	A214-K218 WeakPolarHBondContact O-CG 3.19Å; N215-K218 WeakPolarHBondContact O-CB 3.05Å; N215-K218 PolarHBondContact O-N 3.01Å; N215-K218 VanDerWaalsContact O-N 3.14Å; L216-K218 VanDerWaalsContact C-N 3.31Å; L216-K218 PolarHBondContact O-N 3.44Å; K218-T222 WeakPolarHBondContact O-CB 3.4Å; K218-T222 PolarHBondContact O-N 3.39Å; K218-T222 PolarHBondContact O-OG1 2.86Å
219	V	72.4	Confident	70.8	Confident	19 Å²	19	34.9 Å²	34.9	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-53.6	170.6	176.4	0	0	0	0	109.1	L178 L182 N215 L216 D221 T222 L223 I252	L178-V219 HydrophobicContact CD1-CB 4.2Å; L178-V219 HydrophobicContact CD1-CG2 3.73Å; L178-V219 HydrophobicContact CD2-CG1 4.5Å; L178-V219 HydrophobicContact CD2-CG2 4.42Å; L182-V219 HydrophobicContact CD1-CG2 4.11Å; L182-V219 HydrophobicContact CD2-CG2 3.73Å; L182-V219 HydrophobicContact CG-CG2 4.33Å; N215-V219 WeakPolarHBondContact O-CG2 3.2Å; N215-V219 PolarHBondContact O-N 2.8Å; L216-V219 WeakPolarHBondContact O-CB 3.35Å; L216-V219 PolarHBondContact O-N 2.76Å; L216-V219 VanDerWaalsContact O-N 3.15Å; V219-D221 VanDerWaalsContact C-N 3.35Å; V219-D221 PolarHBondContact O-N 3.02Å; V219-T222 PolarHBondContact O-N 3.25Å; V219-L223 HydrophobicContact CG1-CD1 3.58Å; V219-L223 HydrophobicContact CG1-CG 3.99Å; V219-L223 WeakPolarHBondContact O-CB 3.45Å; V219-L223 VanDerWaalsContact O-CG 3.24Å; V219-L223 WeakPolarHBondContact O-CG 3.44Å; V219-L223 PolarHBondContact O-N 2.95Å; V219-I252 HydrophobicContact CB-CD1 4.06Å; V219-I252 HydrophobicContact CG1-CD1 3.99Å; V219-I252 HydrophobicContact CG1-CG2 4.19Å
220	V	70.8	Confident	72	Confident	10 Å²	10	32.7 Å²	32.7	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-51.9	-54	176.7	175	0	0	0	0	110.3	L216 E217 T222 L223 C224 I252 R255 V256	L216-V220 WeakPolarHBondContact O-CG2 3.34Å; L216-V220 PolarHBondContact O-N 3.1Å; E217-V220 PolarHBondContact O-N 3.09Å; V220-T222 VanDerWaalsContact C-N 3.3Å; V220-T222 PolarHBondContact O-N 3.49Å; V220-L223 PolarHBondContact O-N 3.39Å; V220-C224 WeakPolarHBondContact O-CB 3.47Å; V220-C224 PolarHBondContact O-N 3.47Å; V220-C224 PolarHBondContact O-SG 3.02Å; V220-I252 HydrophobicContact CB-CG2 4.45Å; V220-I252 HydrophobicContact CG2-CB 3.73Å; V220-I252 HydrophobicContact CG2-CD1 4.34Å; V220-I252 HydrophobicContact CG2-CG1 3.59Å; V220-I252 HydrophobicContact CG2-CG2 3.53Å; V220-R255 HydrophobicContact CG1-CB 4.04Å; V220-V256 HydrophobicContact CB-CG2 4.4Å; V220-V256 HydrophobicContact CG1-CG2 3.98Å
221	D	75.2	Confident	73	Confident	64 Å²	64	29.7 Å²	29.7	34%	0.342	15%	0.153	S	C	.	.	H	α-helix	trans	-59.5	-42.2	-176.5	-168.3	66.3	0	0	0	112.4	R162 E217 V219 R225	R162-D221 IonicContact CZ-OD1 3.69Å; R162-D221 IonicContact NH1-OD1 2.75Å; R162-D221 PolarHBondContact NH1-OD1 3.36Å; R162-D221 IonicContact NH2-OD1 2.74Å; R162-D221 PolarHBondContact NH2-OD1 2.87Å; E217-D221 WeakPolarHBondContact O-CB 3.44Å; E217-D221 PolarHBondContact O-N 3.37Å; V219-D221 VanDerWaalsContact C-N 3.35Å; V219-D221 PolarHBondContact O-N 3.02Å; D221-R225 WeakPolarHBondContact O-CB 3.45Å; D221-R225 PolarHBondContact O-N 2.9Å
222	T	76.1	Confident	74	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-67.5	-46.6	176.5	-55.4	0	0	0	0	111.3	L178 K218 V219 V220 C224 R225 M226	L178-T222 HydrophobicContact CB-CG2 4Å; L178-T222 HydrophobicContact CD2-CG2 4.26Å; K218-T222 WeakPolarHBondContact O-CB 3.4Å; K218-T222 PolarHBondContact O-N 3.39Å; K218-T222 PolarHBondContact O-OG1 2.86Å; V219-T222 PolarHBondContact O-N 3.25Å; V220-T222 VanDerWaalsContact C-N 3.3Å; V220-T222 PolarHBondContact O-N 3.49Å; T222-C224 VanDerWaalsContact C-N 3.34Å; T222-C224 PolarHBondContact O-N 2.88Å; T222-R225 PolarHBondContact O-N 2.95Å; T222-R225 VanDerWaalsContact O-N 3.14Å; T222-M226 HydrophobicContact CG2-CG 3.89Å; T222-M226 WeakPolarHBondContact O-CB 3.44Å; T222-M226 WeakPolarHBondContact O-CG 3.44Å; T222-M226 PolarHBondContact O-N 3.35Å
223	L	75.3	Confident	74.6	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-40	179.6	-66.8	-178.3	0	0	0	111.6	V219 V220 R225 M226 R227 A230 I252 F253 V256 L331	V219-L223 HydrophobicContact CG1-CD1 3.58Å; V219-L223 HydrophobicContact CG1-CG 3.99Å; V219-L223 WeakPolarHBondContact O-CB 3.45Å; V219-L223 VanDerWaalsContact O-CG 3.24Å; V219-L223 WeakPolarHBondContact O-CG 3.44Å; V219-L223 PolarHBondContact O-N 2.95Å; V220-L223 PolarHBondContact O-N 3.39Å; L223-R225 VanDerWaalsContact C-N 3.35Å; L223-R225 PolarHBondContact O-N 3.13Å; L223-M226 PolarHBondContact O-N 2.81Å; L223-R227 PolarHBondContact O-N 3.36Å; L223-A230 HydrophobicContact CB-CB 3.86Å; L223-A230 HydrophobicContact CD2-CB 3.52Å; L223-A230 HydrophobicContact CG-CB 4.17Å; L223-I252 HydrophobicContact CD1-CG2 4Å; L223-F253 HydrophobicContact CD1-CE1 4.14Å; L223-V256 HydrophobicContact CB-CG1 4.18Å; L223-V256 HydrophobicContact CB-CG2 3.86Å; L223-L331 HydrophobicContact CD2-CD1 3.85Å; L223-L331 HydrophobicContact CD2-CD2 4.26Å
224	C	76.2	Confident	75	Confident	4 Å²	4	22 Å²	22	3%	0.027	11%	0.114	C	C	.	.	H	α-helix	trans	-58.5	-45.6	171.2	-69	0	0	0	0	111.3	V220 T222 R227 A259	V220-C224 WeakPolarHBondContact O-CB 3.47Å; V220-C224 PolarHBondContact O-N 3.47Å; V220-C224 PolarHBondContact O-SG 3.02Å; T222-C224 VanDerWaalsContact C-N 3.34Å; T222-C224 PolarHBondContact O-N 2.88Å; C224-R227 WeakPolarHBondContact O-CD 3.42Å; C224-R227 VanDerWaalsContact O-CG 3.29Å; C224-R227 WeakPolarHBondContact O-CG 3.36Å; C224-R227 PolarHBondContact O-NE 3.45Å; C224-A259 HydrophobicContact CB-CB 4.37Å; C224-A259 WeakPolarHBondContact SG-CB 3.21Å
225	R	77.8	Confident	75.4	Confident	76 Å²	76	21.5 Å²	21.5	29%	0.287	10%	0.102	S	C	.	.	H	α-helix	trans	-69.7	-33.6	178.7	-173.1	176.8	66.6	-161.8	-1.5	113.1	D221 T222 L223	D221-R225 WeakPolarHBondContact O-CB 3.45Å; D221-R225 PolarHBondContact O-N 2.9Å; T222-R225 PolarHBondContact O-N 2.95Å; T222-R225 VanDerWaalsContact O-N 3.14Å; L223-R225 VanDerWaalsContact C-N 3.35Å; L223-R225 PolarHBondContact O-N 3.13Å
226	M	76.4	Confident	75.6	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-78.1	-29.2	-178.4	-70.3	-50	-63.2	0	0	112.5	P165 R171 F175 T222 L223	P165-M226 HydrophobicContact CG-SD 4.34Å; R171-M226 VanDerWaalsContact CA-CE 3.5Å; R171-M226 HydrophobicContact CB-CE 3.42Å; R171-M226 VanDerWaalsContact CB-CE 3.42Å; R171-M226 HydrophobicContact CG-CE 3.8Å; R171-M226 PolarHBondContact NH2-O 3.37Å; R171-M226 WeakPolarHBondContact O-CE 3.2Å; F175-M226 HydrophobicContact CD2-CE 3.76Å; F175-M226 HydrophobicContact CE1-CG 4.17Å; F175-M226 HydrophobicContact CE2-CE 3.27Å; F175-M226 HydrophobicContact CE2-CG 4.35Å; F175-M226 HydrophobicContact CE2-SD 4.49Å; F175-M226 HydrophobicContact CZ-CB 4.21Å; F175-M226 HydrophobicContact CZ-CE 3.8Å; F175-M226 HydrophobicContact CZ-CG 4.03Å; T222-M226 HydrophobicContact CG2-CG 3.89Å; T222-M226 WeakPolarHBondContact O-CB 3.44Å; T222-M226 WeakPolarHBondContact O-CG 3.44Å; T222-M226 PolarHBondContact O-N 3.35Å; L223-M226 PolarHBondContact O-N 2.81Å
227	R	77.9	Confident	75.5	Confident	7 Å²	7	21.6 Å²	21.6	3%	0.026	10%	0.102	C	C	.	.			trans	57.1	-163.8	176.4	-61.3	-62.2	-170.3	-169.7	11	113	L223 C224 A229 A230 A259 D261 Y317 I320	L223-R227 PolarHBondContact O-N 3.36Å; C224-R227 WeakPolarHBondContact O-CD 3.42Å; C224-R227 VanDerWaalsContact O-CG 3.29Å; C224-R227 WeakPolarHBondContact O-CG 3.36Å; C224-R227 PolarHBondContact O-NE 3.45Å; R227-A229 PolarHBondContact O-N 2.82Å; R227-A230 PolarHBondContact O-N 3.45Å; R227-A259 PolarHBondContact NH1-O 3.15Å; R227-A259 PolarHBondContact NH2-O 2.87Å; R227-D261 VanDerWaalsContact NH2-C 3.31Å; R227-D261 PolarHBondContact NH2-O 2.95Å; R227-Y317 HydrophobicContact CB-CD2 4.22Å; R227-Y317 HydrophobicContact CB-CE2 4.41Å; R227-Y317 HydrophobicContact CG-CD2 4.14Å; R227-Y317 HydrophobicContact CG-CE2 4.01Å; R227-I320 HydrophobicContact CB-CD1 4.21Å
228	G	81.5	Confident	74.9	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	-101.6	169.4	0	0	0	0	0	114.7	A230 L231 K232 S296	G228-A230 VanDerWaalsContact C-N 3.27Å; G228-A230 PolarHBondContact O-N 2.82Å; G228-L231 PolarHBondContact O-N 3.44Å; G228-K232 WeakPolarHBondContact O-CB 3.2Å; G228-K232 PolarHBondContact O-N 2.88Å; G228-S296 WeakPolarHBondContact CA-O 3.24Å; G228-S296 PolarHBondContact N-O 2.87Å
229	A	82.8	Confident	74	Confident	2 Å²	2	18.5 Å²	18.5	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-53.5	-39.3	-178.2	0	0	0	0	0	113.8	R227 L233 D327 I328 L358	R227-A229 PolarHBondContact O-N 2.82Å; A229-L233 VanDerWaalsContact O-CB 3.26Å; A229-L233 WeakPolarHBondContact O-CB 3.21Å; A229-L233 WeakPolarHBondContact O-CG 3.36Å; A229-L233 PolarHBondContact O-N 2.8Å; A229-D327 HydrophobicContact CB-CB 3.54Å; A229-I328 HydrophobicContact CB-CG1 3.77Å; A229-L358 HydrophobicContact CB-CD2 4.02Å
230	A	77.3	Confident	73.1	Confident	1 Å²	1	19 Å²	19	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-47.4	-179.8	0	0	0	0	0	112.5	L223 R227 G228 G234 L331	L223-A230 HydrophobicContact CB-CB 3.86Å; L223-A230 HydrophobicContact CD2-CB 3.52Å; L223-A230 HydrophobicContact CG-CB 4.17Å; R227-A230 PolarHBondContact O-N 3.45Å; G228-A230 VanDerWaalsContact C-N 3.27Å; G228-A230 PolarHBondContact O-N 2.82Å; A230-G234 PolarHBondContact O-N 3.34Å; A230-L331 HydrophobicContact CB-CD2 4.16Å
231	L	77.1	Confident	72	Confident	13 Å²	13	20.8 Å²	20.8	7%	0.068	11%	0.108	C	C	.	.	H	α-helix	trans	-67.8	-45.1	177.9	-83.4	169.5	0	0	0	111.1	G228 G234 Q235 V256 R257	G228-L231 PolarHBondContact O-N 3.44Å; L231-G234 PolarHBondContact O-N 2.7Å; L231-Q235 VanDerWaalsContact O-CG 3.32Å; L231-Q235 WeakPolarHBondContact O-CG 3.23Å; L231-Q235 PolarHBondContact O-N 3.28Å; L231-V256 HydrophobicContact CD1-CG1 4.48Å; L231-V256 HydrophobicContact CD2-CB 4.09Å; L231-V256 HydrophobicContact CD2-CG1 3.48Å; L231-V256 VanDerWaalsContact CD2-CG1 3.48Å; L231-V256 HydrophobicContact CG-CG1 3.74Å; L231-R257 HydrophobicContact CD2-CB 4.24Å
232	K	81.3	Confident	70.7	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-42.9	-178.1	-167	69	178.9	178.4	0	112.5	G228 Q235 M236 A354 E357 L358 E361	G228-K232 WeakPolarHBondContact O-CB 3.2Å; G228-K232 PolarHBondContact O-N 2.88Å; K232-Q235 PolarHBondContact O-N 2.86Å; K232-M236 WeakPolarHBondContact O-CB 3.48Å; K232-M236 WeakPolarHBondContact O-CG 3.39Å; K232-M236 PolarHBondContact O-N 3.47Å; K232-A354 HydrophobicContact CG-CB 4.35Å; K232-E357 WeakPolarHBondContact CE-OE2 3.42Å; K232-E357 IonicContact NZ-OE2 3.04Å; K232-E357 PolarHBondContact NZ-OE2 3.36Å; K232-L358 HydrophobicContact CB-CD1 4.27Å; K232-L358 HydrophobicContact CB-CD2 4.5Å; K232-L358 HydrophobicContact CG-CB 4.21Å; K232-E361 WeakPolarHBondContact CE-OE1 3.37Å; K232-E361 IonicContact NZ-OE1 3.84Å; K232-E361 PolarHBondContact NZ-OE1 3.34Å
233	L	77.8	Confident	69.3	Low	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-66.4	-41.2	173.9	-76.9	173.9	0	0	0	111.5	A229 Q235 M236 L237 I328 L331 I351 A354	A229-L233 VanDerWaalsContact O-CB 3.26Å; A229-L233 WeakPolarHBondContact O-CB 3.21Å; A229-L233 WeakPolarHBondContact O-CG 3.36Å; A229-L233 PolarHBondContact O-N 2.8Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.48Å; L233-M236 PolarHBondContact O-N 3.2Å; L233-L237 WeakPolarHBondContact O-CB 3.33Å; L233-L237 WeakPolarHBondContact O-CD1 3.34Å; L233-L237 WeakPolarHBondContact O-CG 3.41Å; L233-L237 PolarHBondContact O-N 2.82Å; L233-I328 HydrophobicContact CD1-CG1 4.24Å; L233-I328 HydrophobicContact CD1-CG2 4.36Å; L233-L331 HydrophobicContact CB-CD2 4.28Å; L233-L331 HydrophobicContact CD1-CB 4.22Å; L233-L331 HydrophobicContact CD1-CD2 3.71Å; L233-L331 HydrophobicContact CD1-CG 4.04Å; L233-I351 HydrophobicContact CD2-CB 4.26Å; L233-I351 HydrophobicContact CD2-CG1 3.75Å; L233-I351 HydrophobicContact CD2-CG2 4.41Å; L233-A354 HydrophobicContact CD2-CB 3.57Å; L233-A354 HydrophobicContact CG-CB 4.33Å
234	G	72.6	Confident	68.1	Low	1 Å²	1	30.1 Å²	30.1	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-56	-47.3	173.4	0	0	0	0	0	112.4	A230 L231 L237 S238	A230-G234 PolarHBondContact O-N 3.34Å; L231-G234 PolarHBondContact O-N 2.7Å; G234-L237 PolarHBondContact O-N 2.98Å; G234-S238 VanDerWaalsContact O-CB 3.24Å; G234-S238 WeakPolarHBondContact O-CB 3.38Å; G234-S238 PolarHBondContact O-N 2.79Å; G234-S238 PolarHBondContact O-OG 2.84Å
235	Q	75.1	Confident	67.2	Low	44 Å²	44	31 Å²	31	21%	0.206	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-51.4	174.9	-73.7	170.6	-17.2	0	0	111.2	L231 K232 L233 L237 S238 I239	L231-Q235 VanDerWaalsContact O-CG 3.32Å; L231-Q235 WeakPolarHBondContact O-CG 3.23Å; L231-Q235 PolarHBondContact O-N 3.28Å; K232-Q235 PolarHBondContact O-N 2.86Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.48Å; Q235-L237 VanDerWaalsContact C-N 3.27Å; Q235-L237 PolarHBondContact O-N 3.47Å; Q235-S238 WeakPolarHBondContact CA-OG 3.39Å; Q235-S238 PolarHBondContact O-N 2.84Å; Q235-S238 PolarHBondContact O-OG 3.3Å; Q235-I239 WeakPolarHBondContact O-CG1 3.39Å; Q235-I239 PolarHBondContact O-N 3.31Å; Q235-I239 VanDerWaalsContact O-N 3.11Å
236	M	72.4	Confident	66.2	Low	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-36.6	-178.9	-77.6	-69	173.1	0	0	113.7	K232 L233 I239 V353 A354 E357 R567	K232-M236 WeakPolarHBondContact O-CB 3.48Å; K232-M236 WeakPolarHBondContact O-CG 3.39Å; K232-M236 PolarHBondContact O-N 3.47Å; L233-M236 PolarHBondContact O-N 3.2Å; M236-I239 HydrophobicContact SD-CD1 3.74Å; M236-V353 HydrophobicContact CE-CG1 4Å; M236-V353 HydrophobicContact SD-CG1 4.4Å; M236-A354 HydrophobicContact CB-CB 4.26Å; M236-A354 HydrophobicContact CG-CB 3.71Å; M236-E357 HydrophobicContact CE-CB 4.49Å; M236-E357 HydrophobicContact CE-CG 4.08Å; M236-E357 WeakPolarHBondContact CE-OE1 3.38Å; M236-E357 WeakPolarHBondContact CE-OE2 3.39Å; M236-R567 VanDerWaalsContact CE-NH1 3.31Å
237	L	65.7	Low	65.6	Low	12 Å²	12	33.8 Å²	33.8	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-79.8	-27.3	177.3	-61.4	168.3	0	0	0	112.3	L233 G234 Q235 L335 F341	L233-L237 WeakPolarHBondContact O-CB 3.33Å; L233-L237 WeakPolarHBondContact O-CD1 3.34Å; L233-L237 WeakPolarHBondContact O-CG 3.41Å; L233-L237 PolarHBondContact O-N 2.82Å; G234-L237 PolarHBondContact O-N 2.98Å; Q235-L237 VanDerWaalsContact C-N 3.27Å; Q235-L237 PolarHBondContact O-N 3.47Å; L237-L335 HydrophobicContact CD1-CD1 4.41Å; L237-F341 HydrophobicContact CD1-CD1 4.38Å; L237-F341 HydrophobicContact CD1-CE1 3.53Å; L237-F341 HydrophobicContact CD1-CZ 4.29Å; L237-F341 HydrophobicContact CD2-CD1 3.98Å; L237-F341 HydrophobicContact CD2-CE1 3.59Å; L237-F341 HydrophobicContact CG-CE1 4.18Å
238	S	59	Low	65	Low	69 Å²	69	36.2 Å²	36.2	48%	0.483	20%	0.202	S	C	.	.	H	α-helix	trans	-77.4	-17.6	176.5	69.8	0	0	0	0	114.3	G234 Q235 Q240 D241	G234-S238 VanDerWaalsContact O-CB 3.24Å; G234-S238 WeakPolarHBondContact O-CB 3.38Å; G234-S238 PolarHBondContact O-N 2.79Å; G234-S238 PolarHBondContact O-OG 2.84Å; Q235-S238 WeakPolarHBondContact CA-OG 3.39Å; Q235-S238 PolarHBondContact O-N 2.84Å; Q235-S238 PolarHBondContact O-OG 3.3Å; S238-Q240 PolarHBondContact O-N 3.41Å; S238-D241 PolarHBondContact O-N 3.44Å
239	I	53.3	Low	64.2	Low	50 Å²	50	36.7 Å²	36.7	26%	0.256	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.8	176.8	-69.6	162.7	0	0	0	111.6	Q235 M236 R567	Q235-I239 WeakPolarHBondContact O-CG1 3.39Å; Q235-I239 PolarHBondContact O-N 3.31Å; Q235-I239 VanDerWaalsContact O-N 3.11Å; M236-I239 HydrophobicContact SD-CD1 3.74Å; I239-R567 HydrophobicContact CD1-CB 4.24Å; I239-R567 HydrophobicContact CD1-CG 4.39Å; I239-R567 HydrophobicContact CG1-CB 4.26Å; I239-R567 HydrophobicContact CG1-CG 4.27Å
240	Q	53.2	Low	63.3	Low	28 Å²	28	38.7 Å²	38.7	13%	0.131	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	18.4	-175.8	-65.5	179.4	-23.6	0	0	114.3	S238	S238-Q240 PolarHBondContact O-N 3.41Å
241	D	48.5	Very low	63	Low	48 Å²	48	44.4 Å²	44.4	26%	0.257	24%	0.235	S	C	.	.			trans	68.2	168.1	166.5	-152.8	8.8	0	0	0	117	S238 S243 S544 I547	S238-D241 PolarHBondContact O-N 3.44Å; D241-S243 PolarHBondContact O-N 3.28Å; D241-S544 WeakPolarHBondContact OD2-CB 3.18Å; D241-S544 PolarHBondContact OD2-OG 3.47Å; D241-I547 HydrophobicContact CB-CD1 3.34Å
242	E	47.4	Very low	62.7	Low	140 Å²	140	44.1 Å²	44.1	65%	0.654	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-7.5	-158.5	-65.4	-164	176.4	0	0	116.9	Q250	E242-Q250 PolarHBondContact O-NE2 3.12Å
243	S	47.1	Very low	62.1	Low	65 Å²	65	45.2 Å²	45.2	46%	0.455	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-24	-169.5	52.3	0	0	0	0	114.5	D241	D241-S243 PolarHBondContact O-N 3.28Å
244	F	49.6	Very low	61.7	Low	64 Å²	64	50.3 Å²	50.3	28%	0.281	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-34.5	-169.8	-78	-85.1	0	0	0	115	P342 I547 P548 L551	F244-P342 HydrophobicContact CB-CG 3.82Å; F244-P342 HydrophobicContact CD1-CB 3.76Å; F244-P342 HydrophobicContact CD1-CG 3.7Å; F244-P342 HydrophobicContact CE1-CB 4.42Å; F244-P342 HydrophobicContact CG-CG 4.17Å; F244-I547 HydrophobicContact CD2-CG2 4.22Å; F244-I547 HydrophobicContact CE2-CG2 3.98Å; F244-P548 HydrophobicContact CE2-CB 4.5Å; F244-P548 HydrophobicContact CE2-CG 4.48Å; F244-P548 HydrophobicContact CZ-CB 4.43Å; F244-L551 HydrophobicContact CD1-CD1 4.33Å; F244-L551 HydrophobicContact CD2-CD1 3.27Å; F244-L551 HydrophobicContact CE1-CB 4.48Å; F244-L551 HydrophobicContact CE1-CD1 4.2Å; F244-L551 HydrophobicContact CE2-CB 4.16Å; F244-L551 HydrophobicContact CE2-CD1 3.18Å; F244-L551 HydrophobicContact CE2-CG 4.21Å; F244-L551 HydrophobicContact CG-CD1 3.88Å; F244-L551 HydrophobicContact CZ-CB 3.87Å; F244-L551 HydrophobicContact CZ-CD1 3.65Å; F244-L551 HydrophobicContact CZ-CG 4.39Å
245	V	56.4	Low	61.7	Low	23 Å²	23	56 Å²	56	14%	0.139	28%	0.283	C	S	.	.	S	Bend	trans	-82.3	121.5	169.8	-178.1	0	0	0	0	106.4	V249 Q250	V245-V249 HydrophobicContact CG1-CB 3.42Å; V245-V249 VanDerWaalsContact CG1-CB 3.42Å; V245-V249 HydrophobicContact CG1-CG1 3.31Å; V245-Q250 HydrophobicContact CB-CG 3.95Å; V245-Q250 HydrophobicContact CG1-CG 3.84Å; V245-Q250 PolarHBondContact O-NE2 2.89Å
246	S	57.8	Low	61.5	Low	46 Å²	46	53.9 Å²	53.9	32%	0.322	27%	0.273	S	S	.	.			trans	-50.5	144.5	178.6	67.5	0	0	0	0	111	Q248 V249 Q250	S246-Q248 CarbonylContact O-C 3.59Å; S246-Q248 PolarHBondContact O-N 2.87Å; S246-V249 PolarHBondContact O-N 3.01Å; S246-V249 WeakPolarHBondContact OG-CG2 3.29Å; S246-V249 PolarHBondContact OG-N 3.46Å; S246-Q250 PolarHBondContact O-N 2.99Å
247	P	63	Low	61.4	Low	89 Å²	89	60.6 Å²	60.6	58%	0.578	30%	0.298	S	S	*	.	H	α-helix	trans	-52.6	-26	178.9	-29.2	34.8	0	0	0	113.5	R251	P247-R251 WeakPolarHBondContact O-CG 3.43Å; P247-R251 PolarHBondContact O-N 2.91Å; P247-R251 VanDerWaalsContact O-N 3.1Å
248	Q	66.2	Low	61.4	Low	59 Å²	59	65.9 Å²	65.9	28%	0.276	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-50.4	171.9	-76.5	178.4	-14.2	0	0	112.8	L216 S246 Q250 R251 I252	L216-Q248 HydrophobicContact CD1-CB 3.65Å; L216-Q248 HydrophobicContact CD1-CG 3.86Å; S246-Q248 CarbonylContact O-C 3.59Å; S246-Q248 PolarHBondContact O-N 2.87Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-R251 PolarHBondContact O-N 3.41Å; Q248-I252 WeakPolarHBondContact O-CG1 3.27Å; Q248-I252 PolarHBondContact O-N 2.72Å
249	V	65.1	Low	61.8	Low	9 Å²	9	63.4 Å²	63.4	6%	0.055	31%	0.306	C	S	.	.	H	α-helix	trans	-70	-30.4	179.4	176.3	0	0	0	0	111.3	L211 V245 S246 I252 F253	L211-V249 HydrophobicContact CD1-CG2 4.29Å; V245-V249 HydrophobicContact CG1-CB 3.42Å; V245-V249 VanDerWaalsContact CG1-CB 3.42Å; V245-V249 HydrophobicContact CG1-CG1 3.31Å; S246-V249 PolarHBondContact O-N 3.01Å; S246-V249 WeakPolarHBondContact OG-CG2 3.29Å; S246-V249 PolarHBondContact OG-N 3.46Å; V249-I252 VanDerWaalsContact O-CB 3.3Å; V249-I252 WeakPolarHBondContact O-CB 3.4Å; V249-I252 PolarHBondContact O-N 2.99Å; V249-F253 HydrophobicContact CG1-CD2 3.81Å; V249-F253 HydrophobicContact CG1-CE2 3.43Å; V249-F253 VanDerWaalsContact CG1-CE2 3.43Å; V249-F253 HydrophobicContact CG1-CZ 4.34Å; V249-F253 VanDerWaalsContact O-CD2 3.27Å; V249-F253 WeakPolarHBondContact O-CD2 3.25Å; V249-F253 PolarHBondContact O-N 3.47Å
250	Q	64.5	Low	62.5	Low	44 Å²	44	61.8 Å²	61.8	21%	0.206	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-50	170.7	-67.1	173.6	20.5	0	0	111.7	E242 V245 S246 Q248 I252 F253 E254	E242-Q250 PolarHBondContact O-NE2 3.12Å; V245-Q250 HydrophobicContact CB-CG 3.95Å; V245-Q250 HydrophobicContact CG1-CG 3.84Å; V245-Q250 PolarHBondContact O-NE2 2.89Å; S246-Q250 PolarHBondContact O-N 2.99Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q250-I252 PolarHBondContact O-N 2.89Å; Q250-I252 VanDerWaalsContact O-N 3.17Å; Q250-F253 PolarHBondContact O-N 2.95Å; Q250-E254 WeakPolarHBondContact O-CB 3.36Å; Q250-E254 PolarHBondContact O-N 3.32Å
251	R	70.1	Confident	63.6	Low	121 Å²	121	60.9 Å²	60.9	46%	0.457	30%	0.296	S	S	.	.	H	α-helix	trans	-55.3	-33.8	173.5	-80	-171.1	-73.3	149.3	-7.1	112	E213 P247 Q248 R255	E213-R251 IonicContact OE1-NH1 3.95Å; E213-R251 PolarHBondContact OE1-NH1 2.89Å; P247-R251 WeakPolarHBondContact O-CG 3.43Å; P247-R251 PolarHBondContact O-N 2.91Å; P247-R251 VanDerWaalsContact O-N 3.1Å; Q248-R251 PolarHBondContact O-N 3.41Å; R251-R255 VanDerWaalsContact O-CB 3.29Å; R251-R255 WeakPolarHBondContact O-CB 3.28Å; R251-R255 WeakPolarHBondContact O-CG 3.32Å; R251-R255 PolarHBondContact O-N 2.82Å
252	I	70	Confident	65.4	Low	7 Å²	7	59.3 Å²	59.3	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-60.2	171	-66.6	-176	0	0	0	110.1	L216 V219 V220 L223 Q248 V249 Q250 E254 R255 V256	L216-I252 HydrophobicContact CB-CD1 3.78Å; L216-I252 HydrophobicContact CB-CG1 4.2Å; L216-I252 HydrophobicContact CD2-CD1 3.29Å; L216-I252 HydrophobicContact CD2-CG1 4.21Å; L216-I252 HydrophobicContact CG-CD1 4.08Å; V219-I252 HydrophobicContact CB-CD1 4.06Å; V219-I252 HydrophobicContact CG1-CD1 3.99Å; V219-I252 HydrophobicContact CG1-CG2 4.19Å; V220-I252 HydrophobicContact CB-CG2 4.45Å; V220-I252 HydrophobicContact CG2-CB 3.73Å; V220-I252 HydrophobicContact CG2-CD1 4.34Å; V220-I252 HydrophobicContact CG2-CG1 3.59Å; V220-I252 HydrophobicContact CG2-CG2 3.53Å; L223-I252 HydrophobicContact CD1-CG2 4Å; Q248-I252 WeakPolarHBondContact O-CG1 3.27Å; Q248-I252 PolarHBondContact O-N 2.72Å; V249-I252 VanDerWaalsContact O-CB 3.3Å; V249-I252 WeakPolarHBondContact O-CB 3.4Å; V249-I252 PolarHBondContact O-N 2.99Å; Q250-I252 PolarHBondContact O-N 2.89Å; Q250-I252 VanDerWaalsContact O-N 3.17Å; I252-E254 VanDerWaalsContact C-N 3.26Å; I252-E254 PolarHBondContact O-N 2.85Å; I252-R255 PolarHBondContact O-N 3.38Å; I252-R255 VanDerWaalsContact O-N 3.12Å; I252-V256 HydrophobicContact CG2-CG2 4.12Å; I252-V256 VanDerWaalsContact O-CG2 3.24Å; I252-V256 WeakPolarHBondContact O-CG2 3.48Å; I252-V256 PolarHBondContact O-N 2.92Å
253	F	69.5	Low	67.4	Low	27 Å²	27	52.8 Å²	52.8	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-35.7	-174.4	-72.2	-57.1	0	0	0	112.4	L223 V249 Q250 V256 R257	L223-F253 HydrophobicContact CD1-CE1 4.14Å; V249-F253 HydrophobicContact CG1-CD2 3.81Å; V249-F253 HydrophobicContact CG1-CE2 3.43Å; V249-F253 VanDerWaalsContact CG1-CE2 3.43Å; V249-F253 HydrophobicContact CG1-CZ 4.34Å; V249-F253 VanDerWaalsContact O-CD2 3.27Å; V249-F253 WeakPolarHBondContact O-CD2 3.25Å; V249-F253 PolarHBondContact O-N 3.47Å; Q250-F253 PolarHBondContact O-N 2.95Å; F253-V256 PolarHBondContact O-N 2.72Å; F253-R257 VanDerWaalsContact O-CB 3.3Å; F253-R257 WeakPolarHBondContact O-CB 3.46Å; F253-R257 PolarHBondContact O-N 3.21Å
254	E	69.8	Low	69.5	Low	108 Å²	108	50.8 Å²	50.8	51%	0.505	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-47	173.1	-169.8	177.6	-167.4	0	0	111.6	Q250 I252 V256 R257 Q258	Q250-E254 WeakPolarHBondContact O-CB 3.36Å; Q250-E254 PolarHBondContact O-N 3.32Å; I252-E254 VanDerWaalsContact C-N 3.26Å; I252-E254 PolarHBondContact O-N 2.85Å; E254-V256 VanDerWaalsContact C-N 3.33Å; E254-V256 PolarHBondContact O-N 3.04Å; E254-R257 WeakPolarHBondContact O-CB 3.25Å; E254-R257 PolarHBondContact O-N 3.24Å; E254-Q258 WeakPolarHBondContact O-CB 3.31Å; E254-Q258 VanDerWaalsContact O-CG 3.31Å; E254-Q258 WeakPolarHBondContact O-CG 3.14Å; E254-Q258 PolarHBondContact O-N 2.86Å; E254-Q258 PolarHBondContact OE1-NE2 3.17Å
255	R	72.1	Confident	71.5	Confident	121 Å²	121	48.7 Å²	48.7	46%	0.457	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-41.7	173.4	-76.4	177	72.5	176	4.7	112	E217 V220 R251 I252 R257 Q258 A259	E217-R255 IonicContact OE1-CZ 3.14Å; E217-R255 IonicContact OE1-NH1 2.66Å; E217-R255 PolarHBondContact OE1-NH1 3.26Å; E217-R255 IonicContact OE1-NH2 3.17Å; V220-R255 HydrophobicContact CG1-CB 4.04Å; R251-R255 VanDerWaalsContact O-CB 3.29Å; R251-R255 WeakPolarHBondContact O-CB 3.28Å; R251-R255 WeakPolarHBondContact O-CG 3.32Å; R251-R255 PolarHBondContact O-N 2.82Å; I252-R255 PolarHBondContact O-N 3.38Å; I252-R255 VanDerWaalsContact O-N 3.12Å; R255-R257 VanDerWaalsContact C-N 3.32Å; R255-Q258 PolarHBondContact O-N 2.71Å; R255-A259 VanDerWaalsContact O-CB 3.28Å; R255-A259 WeakPolarHBondContact O-CB 3Å; R255-A259 PolarHBondContact O-N 2.64Å
256	V	71	Confident	73.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-39.1	178	-178.1	0	0	0	0	110.5	V220 L223 L231 I252 F253 E254 A259	V220-V256 HydrophobicContact CB-CG2 4.4Å; V220-V256 HydrophobicContact CG1-CG2 3.98Å; L223-V256 HydrophobicContact CB-CG1 4.18Å; L223-V256 HydrophobicContact CB-CG2 3.86Å; L231-V256 HydrophobicContact CD1-CG1 4.48Å; L231-V256 HydrophobicContact CD2-CB 4.09Å; L231-V256 HydrophobicContact CD2-CG1 3.48Å; L231-V256 VanDerWaalsContact CD2-CG1 3.48Å; L231-V256 HydrophobicContact CG-CG1 3.74Å; I252-V256 HydrophobicContact CG2-CG2 4.12Å; I252-V256 VanDerWaalsContact O-CG2 3.24Å; I252-V256 WeakPolarHBondContact O-CG2 3.48Å; I252-V256 PolarHBondContact O-N 2.92Å; F253-V256 PolarHBondContact O-N 2.72Å; E254-V256 VanDerWaalsContact C-N 3.33Å; E254-V256 PolarHBondContact O-N 3.04Å; V256-A259 PolarHBondContact O-N 3.35Å
257	R	69.8	Low	75	Confident	143 Å²	143	54.6 Å²	54.6	54%	0.54	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-41.6	175.2	177.9	-176	162.4	-174.3	-4.8	111.9	L231 F253 E254 R255 A259 N446	L231-R257 HydrophobicContact CD2-CB 4.24Å; F253-R257 VanDerWaalsContact O-CB 3.3Å; F253-R257 WeakPolarHBondContact O-CB 3.46Å; F253-R257 PolarHBondContact O-N 3.21Å; E254-R257 WeakPolarHBondContact O-CB 3.25Å; E254-R257 PolarHBondContact O-N 3.24Å; R255-R257 VanDerWaalsContact C-N 3.32Å; R257-A259 VanDerWaalsContact C-N 3.32Å; R257-N446 PolarHBondContact NH2-OD1 2.96Å; R257-N446 VanDerWaalsContact NH2-OD1 3.16Å
258	Q	66	Low	76.6	Confident	123 Å²	123	50.4 Å²	50.4	58%	0.575	23%	0.228	S	C	*	.	H	α-helix	trans	-74.9	-22.1	177.8	-69.8	174.3	-1.5	0	0	112.8	E254 R255 A260	E254-Q258 WeakPolarHBondContact O-CB 3.31Å; E254-Q258 VanDerWaalsContact O-CG 3.31Å; E254-Q258 WeakPolarHBondContact O-CG 3.14Å; E254-Q258 PolarHBondContact O-N 2.86Å; E254-Q258 PolarHBondContact OE1-NE2 3.17Å; R255-Q258 PolarHBondContact O-N 2.71Å; Q258-A260 PolarHBondContact O-N 3.06Å
259	A	68.4	Low	78	Confident	16 Å²	16	52 Å²	52	13%	0.132	23%	0.231	C	C	.	.			trans	-68.6	103.2	-179.6	0	0	0	0	0	111.5	C224 R227 R255 V256 R257 D261	C224-A259 HydrophobicContact CB-CB 4.37Å; C224-A259 WeakPolarHBondContact SG-CB 3.21Å; R227-A259 PolarHBondContact NH1-O 3.15Å; R227-A259 PolarHBondContact NH2-O 2.87Å; R255-A259 VanDerWaalsContact O-CB 3.28Å; R255-A259 WeakPolarHBondContact O-CB 3Å; R255-A259 PolarHBondContact O-N 2.64Å; V256-A259 PolarHBondContact O-N 3.35Å; R257-A259 VanDerWaalsContact C-N 3.32Å; A259-D261 VanDerWaalsContact C-N 3.3Å; A259-D261 PolarHBondContact O-N 2.95Å
260	A	66.4	Low	79.4	Confident	17 Å²	17	59 Å²	59	14%	0.14	26%	0.261	C	S	.	.			trans	-92.2	37.5	178	0	0	0	0	0	113.1	L153 S159 Q258 A294	L153-A260 HydrophobicContact CD1-CB 4.14Å; L153-A260 WeakPolarHBondContact CD1-O 3.14Å; L153-A260 HydrophobicContact CD2-CB 3.64Å; L153-A260 HydrophobicContact CG-CB 4.44Å; S159-A260 WeakPolarHBondContact CB-O 3.41Å; Q258-A260 PolarHBondContact O-N 3.06Å; A260-A294 HydrophobicContact CB-CB 4.3Å
261	D	77.9	Confident	81	Confident	8 Å²	8	57.3 Å²	57.3	4%	0.043	25%	0.254	C	S	.	.			trans	-55.7	140.9	170.7	-55.3	-30.3	0	0	0	111.5	K160 R162 R227 A259 Y317	K160-D261 PolarHBondContact N-OD1 2.69Å; K160-D261 WeakPolarHBondContact O-CA 3.19Å; K160-D261 WeakPolarHBondContact O-CB 3.25Å; R162-D261 HydrophobicContact CB-CB 4.44Å; R162-D261 VanDerWaalsContact CD-OD2 3.24Å; R162-D261 WeakPolarHBondContact CD-OD2 3.47Å; R162-D261 HydrophobicContact CG-CB 4.38Å; R162-D261 IonicContact CZ-OD2 2.67Å; R162-D261 IonicContact NE-OD2 2.71Å; R162-D261 PolarHBondContact NE-OD2 3.47Å; R162-D261 IonicContact NH1-OD2 3.71Å; R162-D261 PolarHBondContact NH1-OD2 2.89Å; R227-D261 VanDerWaalsContact NH2-C 3.31Å; R227-D261 PolarHBondContact NH2-O 2.95Å; A259-D261 VanDerWaalsContact C-N 3.3Å; A259-D261 PolarHBondContact O-N 2.95Å; D261-Y317 PolarHBondContact O-OH 3.04Å
262	F	84.5	Confident	82.3	Confident	16 Å²	16	51.6 Å²	51.6	7%	0.07	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-123.3	156.5	-178.4	55.3	-88.6	0	0	0	111	L153 D154 K160 E161 R162 P291	L153-F262 HydrophobicContact CB-CD1 3.95Å; L153-F262 HydrophobicContact CB-CE1 4.26Å; L153-F262 HydrophobicContact CD1-CB 4.48Å; L153-F262 HydrophobicContact CD1-CD1 4.45Å; D154-F262 HydrophobicContact CB-CE1 4.33Å; D154-F262 HydrophobicContact CB-CZ 4.19Å; K160-F262 PolarHBondContact O-N 3.29Å; E161-F262 WeakPolarHBondContact CA-O 3.34Å; E161-F262 HydrophobicContact CB-CD2 4.2Å; E161-F262 HydrophobicContact CB-CE2 3.57Å; E161-F262 HydrophobicContact CB-CZ 3.81Å; E161-F262 HydrophobicContact CG-CD2 4.07Å; E161-F262 HydrophobicContact CG-CE2 3.71Å; E161-F262 HydrophobicContact CG-CZ 4.45Å; R162-F262 PolarHBondContact N-O 2.93Å; F262-P291 HydrophobicContact CB-CG 3.47Å; F262-P291 VanDerWaalsContact CB-CG 3.47Å; F262-P291 HydrophobicContact CD1-CG 4.43Å; F262-P291 HydrophobicContact CD2-CG 4.19Å; F262-P291 HydrophobicContact CG-CG 3.8Å
263	M	90.1	Very high	83.5	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	25%	0.245	C	C	.	.			trans	-75.6	146.8	178.3	64.5	170.6	158.6	0	0	111.1	V164 Q267 M268 Q299 I315 Y317 P318	V164-M263 HydrophobicContact CG2-CB 3.94Å; M263-Q267 HydrophobicContact CB-CB 4.23Å; M263-Q267 HydrophobicContact CG-CB 4.34Å; M263-Q267 HydrophobicContact SD-CB 3.79Å; M263-M268 VanDerWaalsContact CE-CA 3.46Å; M263-M268 HydrophobicContact CE-CB 3.62Å; M263-M268 HydrophobicContact CE-CG 4.03Å; M263-M268 HydrophobicContact CG-CB 4.14Å; M263-M268 HydrophobicContact SD-CB 4.03Å; M263-M268 PolarHBondContact SD-N 2.83Å; M263-Q299 HydrophobicContact CE-CG 4.11Å; M263-Q299 VanDerWaalsContact CG-OE1 3.29Å; M263-I315 HydrophobicContact CE-CB 4.29Å; M263-I315 HydrophobicContact CE-CG2 3.72Å; M263-Y317 HydrophobicContact CB-CD1 4.25Å; M263-Y317 HydrophobicContact CB-CE1 4.33Å; M263-Y317 HydrophobicContact CG-CD1 4.27Å; M263-Y317 HydrophobicContact CG-CE1 4.37Å; M263-Y317 HydrophobicContact SD-CD1 4.34Å; M263-P318 HydrophobicContact SD-CG 4.5Å
264	P	91.1	Very high	84.8	Confident	23 Å²	23	56.2 Å²	56.2	15%	0.149	27%	0.267	C	S	.	.			trans	-53.9	145.2	172.5	-25.6	31.3	0	0	0	112.4	E161 R162 R163 K266 Q267 M268	E161-P264 HydrophobicContact CG-CB 4.25Å; E161-P264 HydrophobicContact CG-CG 3.97Å; E161-P264 WeakPolarHBondContact OE1-CB 3.47Å; R162-P264 WeakPolarHBondContact O-CD 3.3Å; R163-P264 HydrophobicContact CB-CG 4.41Å; P264-K266 PolarHBondContact O-N 3.49Å; P264-Q267 PolarHBondContact O-N 3.12Å; P264-M268 PolarHBondContact O-N 3.31Å; P264-M268 VanDerWaalsContact O-N 3.17Å
265	A	92.6	Very high	86.1	Confident	21 Å²	21	53.6 Å²	53.6	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-53.8	-32.1	-178	0	0	0	0	0	113.2	Q267 M268 R269	A265-Q267 PolarHBondContact O-N 2.97Å; A265-M268 HydrophobicContact CB-CE 4.27Å; A265-M268 PolarHBondContact O-N 3.4Å; A265-R269 WeakPolarHBondContact O-CB 3.49Å; A265-R269 WeakPolarHBondContact O-CG 3.37Å; A265-R269 PolarHBondContact O-N 3.23Å
266	K	94.3	Very high	87.3	Confident	169 Å²	169	49.2 Å²	49.2	74%	0.735	24%	0.24	S	C	*	.	H	α-helix	trans	-63.5	-37.8	174.5	-174.3	174.9	-178	172.8	0	113.5	P264 K270	P264-K266 PolarHBondContact O-N 3.49Å; K266-K270 WeakPolarHBondContact O-CB 3.47Å; K266-K270 PolarHBondContact O-N 3.39Å
267	Q	93.9	Very high	88.5	Confident	23 Å²	23	50.4 Å²	50.4	11%	0.107	25%	0.253	C	S	.	.	H	α-helix	trans	-72.3	-41.5	175.9	-66.5	-165.7	-84.7	0	0	110.6	V164 M263 P264 A265 K270 V271 P318	V164-Q267 PolarHBondContact O-NE2 3.31Å; M263-Q267 HydrophobicContact CB-CB 4.23Å; M263-Q267 HydrophobicContact CG-CB 4.34Å; M263-Q267 HydrophobicContact SD-CB 3.79Å; P264-Q267 PolarHBondContact O-N 3.12Å; A265-Q267 PolarHBondContact O-N 2.97Å; Q267-K270 WeakPolarHBondContact O-CB 3.05Å; Q267-K270 PolarHBondContact O-N 3.36Å; Q267-V271 PolarHBondContact O-N 3.28Å; Q267-P318 HydrophobicContact CB-CG 4.42Å
268	M	95.3	Very high	89.6	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-52.4	176.7	175.1	-83.6	-68.9	0	0	111.8	M263 P264 A265 K270 V271 L272 F287 E289 I315	M263-M268 VanDerWaalsContact CE-CA 3.46Å; M263-M268 HydrophobicContact CE-CB 3.62Å; M263-M268 HydrophobicContact CE-CG 4.03Å; M263-M268 HydrophobicContact CG-CB 4.14Å; M263-M268 HydrophobicContact SD-CB 4.03Å; M263-M268 PolarHBondContact SD-N 2.83Å; P264-M268 PolarHBondContact O-N 3.31Å; P264-M268 VanDerWaalsContact O-N 3.17Å; A265-M268 HydrophobicContact CB-CE 4.27Å; A265-M268 PolarHBondContact O-N 3.4Å; M268-K270 PolarHBondContact O-N 3.42Å; M268-V271 PolarHBondContact O-N 2.92Å; M268-L272 PolarHBondContact O-N 3.44Å; M268-L272 HydrophobicContact SD-CD1 3.33Å; M268-L272 WeakPolarHBondContact SD-CD1 3.29Å; M268-L272 HydrophobicContact SD-CG 4.09Å; M268-F287 HydrophobicContact CE-CE1 3.63Å; M268-F287 HydrophobicContact CE-CZ 4.26Å; M268-F287 HydrophobicContact SD-CE1 3.75Å; M268-F287 HydrophobicContact SD-CZ 3.84Å; M268-E289 HydrophobicContact CE-CB 4.11Å; M268-E289 HydrophobicContact CE-CG 4.19Å; M268-I315 HydrophobicContact CG-CD1 3.7Å; M268-I315 HydrophobicContact SD-CD1 4.12Å
269	R	95.4	Very high	90.9	Very high	92 Å²	92	49.9 Å²	49.9	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-57.5	-37.1	176.1	-76.8	-168.7	-71.8	-85.9	2.2	112.3	A265 V271 L272 T273 E289	A265-R269 WeakPolarHBondContact O-CB 3.49Å; A265-R269 WeakPolarHBondContact O-CG 3.37Å; A265-R269 PolarHBondContact O-N 3.23Å; R269-V271 VanDerWaalsContact C-N 3.3Å; R269-V271 PolarHBondContact O-N 2.82Å; R269-L272 PolarHBondContact O-N 2.83Å; R269-T273 WeakPolarHBondContact O-CB 3.47Å; R269-T273 PolarHBondContact O-N 2.85Å; R269-T273 PolarHBondContact O-OG1 3.21Å; R269-T273 VanDerWaalsContact O-OG1 3.07Å; R269-E289 IonicContact CZ-OE1 3.14Å; R269-E289 IonicContact NH1-OE1 2.63Å; R269-E289 PolarHBondContact NH1-OE1 2.97Å; R269-E289 IonicContact NH1-OE2 2.7Å; R269-E289 PolarHBondContact NH1-OE2 2.8Å
270	K	95.6	Very high	92.1	Very high	157 Å²	157	50 Å²	50	68%	0.683	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-38.2	176.9	-173.1	177	179.8	179.8	0	112.2	K266 Q267 M268 S274	K266-K270 WeakPolarHBondContact O-CB 3.47Å; K266-K270 PolarHBondContact O-N 3.39Å; Q267-K270 WeakPolarHBondContact O-CB 3.05Å; Q267-K270 PolarHBondContact O-N 3.36Å; M268-K270 PolarHBondContact O-N 3.42Å; K270-S274 WeakPolarHBondContact O-CB 3.25Å; K270-S274 PolarHBondContact O-N 3.19Å; K270-S274 VanDerWaalsContact O-N 3.07Å; K270-S274 PolarHBondContact O-OG 3Å; K270-S274 VanDerWaalsContact O-OG 3.12Å
271	V	96.5	Very high	93.4	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.055	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-46.1	176.4	179.3	0	0	0	0	110.5	Q267 M268 R269 T273 S274 E275 I315 P318	Q267-V271 PolarHBondContact O-N 3.28Å; M268-V271 PolarHBondContact O-N 2.92Å; R269-V271 VanDerWaalsContact C-N 3.3Å; R269-V271 PolarHBondContact O-N 2.82Å; V271-T273 PolarHBondContact O-N 2.86Å; V271-S274 WeakPolarHBondContact CA-OG 3.39Å; V271-S274 PolarHBondContact O-N 3.19Å; V271-S274 PolarHBondContact O-OG 3.41Å; V271-E275 HydrophobicContact CG1-CG 4.28Å; V271-E275 WeakPolarHBondContact O-CB 3.5Å; V271-E275 VanDerWaalsContact O-CG 3.32Å; V271-E275 WeakPolarHBondContact O-CG 3.35Å; V271-E275 PolarHBondContact O-N 2.89Å; V271-E275 VanDerWaalsContact O-N 3.1Å; V271-I315 HydrophobicContact CB-CG2 3.89Å; V271-I315 HydrophobicContact CG1-CG2 3.61Å; V271-P318 HydrophobicContact CG2-CB 4.14Å
272	L	97.4	Very high	94.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.6	-52.5	175	-71	175.9	0	0	0	111.5	M268 R269 S274 E275 L276 W280 F287 I313 I315 I398	M268-L272 PolarHBondContact O-N 3.44Å; M268-L272 HydrophobicContact SD-CD1 3.33Å; M268-L272 WeakPolarHBondContact SD-CD1 3.29Å; M268-L272 HydrophobicContact SD-CG 4.09Å; R269-L272 PolarHBondContact O-N 2.83Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 3.08Å; L272-E275 PolarHBondContact O-N 2.78Å; L272-L276 HydrophobicContact CD2-CD1 4.19Å; L272-L276 WeakPolarHBondContact O-CB 3.44Å; L272-L276 PolarHBondContact O-N 3.34Å; L272-W280 HydrophobicContact CB-CD2 4.04Å; L272-W280 HydrophobicContact CB-CG 4.22Å; L272-W280 HydrophobicContact CB-CZ2 4.4Å; L272-W280 HydrophobicContact CD1-CD2 4.1Å; L272-W280 HydrophobicContact CD1-CE3 4.08Å; L272-W280 HydrophobicContact CD1-CH2 3.5Å; L272-W280 VanDerWaalsContact CD1-CH2 3.5Å; L272-W280 HydrophobicContact CD1-CZ2 3.49Å; L272-W280 VanDerWaalsContact CD1-CZ2 3.49Å; L272-W280 HydrophobicContact CD1-CZ3 3.79Å; L272-F287 HydrophobicContact CD1-CE1 4.2Å; L272-F287 HydrophobicContact CD1-CE2 4.27Å; L272-F287 HydrophobicContact CD1-CZ 3.83Å; L272-I313 HydrophobicContact CD2-CG2 4.48Å; L272-I315 HydrophobicContact CD1-CD1 4.09Å; L272-I315 HydrophobicContact CD2-CD1 3.61Å; L272-I315 HydrophobicContact CD2-CG1 4.12Å; L272-I315 HydrophobicContact CG-CD1 3.86Å; L272-I398 HydrophobicContact CD2-CD1 3.75Å
273	T	97.1	Very high	94.6	Very high	49 Å²	49	62 Å²	62	30%	0.301	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-37.3	180	-61.4	0	0	0	0	113	R269 V271 E275 G277 E278	R269-T273 WeakPolarHBondContact O-CB 3.47Å; R269-T273 PolarHBondContact O-N 2.85Å; R269-T273 PolarHBondContact O-OG1 3.21Å; R269-T273 VanDerWaalsContact O-OG1 3.07Å; V271-T273 PolarHBondContact O-N 2.86Å; T273-E275 VanDerWaalsContact C-N 3.32Å; T273-E275 PolarHBondContact O-N 2.81Å; T273-G277 WeakPolarHBondContact CA-O 3.37Å; T273-G277 CarbonylContact O-C 3.52Å; T273-G277 WeakPolarHBondContact O-CA 3.36Å; T273-G277 PolarHBondContact O-N 2.76Å; T273-G277 VanDerWaalsContact O-N 3.12Å; T273-E278 HydrophobicContact CG2-CB 4.46Å; T273-E278 HydrophobicContact CG2-CG 3.8Å
274	S	96.5	Very high	94.9	Very high	82 Å²	82	62.3 Å²	62.3	57%	0.573	32%	0.316	S	S	*	.	H	α-helix	trans	-71.1	-28.1	179.8	60.5	0	0	0	0	113.8	K270 V271 L272	K270-S274 WeakPolarHBondContact O-CB 3.25Å; K270-S274 PolarHBondContact O-N 3.19Å; K270-S274 VanDerWaalsContact O-N 3.07Å; K270-S274 PolarHBondContact O-OG 3Å; K270-S274 VanDerWaalsContact O-OG 3.12Å; V271-S274 WeakPolarHBondContact CA-OG 3.39Å; V271-S274 PolarHBondContact O-N 3.19Å; V271-S274 PolarHBondContact O-OG 3.41Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 3.08Å
275	E	96.9	Very high	95.1	Very high	53 Å²	53	64.4 Å²	64.4	25%	0.248	33%	0.331	C	S	.	.	H	α-helix	trans	-101.1	-35.7	-173.3	-65.9	-68	134.4	0	0	112.8	V271 L272 T273 T395 R397 I398	V271-E275 HydrophobicContact CG1-CG 4.28Å; V271-E275 WeakPolarHBondContact O-CB 3.5Å; V271-E275 VanDerWaalsContact O-CG 3.32Å; V271-E275 WeakPolarHBondContact O-CG 3.35Å; V271-E275 PolarHBondContact O-N 2.89Å; V271-E275 VanDerWaalsContact O-N 3.1Å; L272-E275 PolarHBondContact O-N 2.78Å; T273-E275 VanDerWaalsContact C-N 3.32Å; T273-E275 PolarHBondContact O-N 2.81Å; E275-T395 HydrophobicContact CB-CG2 4.23Å; E275-T395 WeakPolarHBondContact OE2-CB 3.44Å; E275-T395 PolarHBondContact OE2-OG1 3.17Å; E275-R397 HydrophobicContact CG-CB 3.97Å; E275-R397 WeakPolarHBondContact OE1-CD 3.18Å; E275-R397 IonicContact OE1-NE 3.35Å; E275-I398 HydrophobicContact CB-CD1 3.47Å; E275-I398 VanDerWaalsContact CB-CD1 3.47Å; E275-I398 HydrophobicContact CB-CG1 4.21Å; E275-I398 HydrophobicContact CG-CD1 4.08Å; E275-I398 HydrophobicContact CG-CG1 4.39Å
276	L	96.4	Very high	95.3	Very high	29 Å²	29	67.9 Å²	67.9	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-110.6	-4.5	-176.1	-59.8	177.8	0	0	0	113.8	L272 W280 L393 T395 I398	L272-L276 HydrophobicContact CD2-CD1 4.19Å; L272-L276 WeakPolarHBondContact O-CB 3.44Å; L272-L276 PolarHBondContact O-N 3.34Å; L276-W280 HydrophobicContact CB-CB 3.57Å; L276-W280 HydrophobicContact CD1-CB 4.26Å; L276-L393 HydrophobicContact CD1-CD2 4.26Å; L276-L393 HydrophobicContact CD2-CD2 4.42Å; L276-T395 HydrophobicContact CD2-CG2 3.78Å; L276-I398 HydrophobicContact CD1-CD1 3.8Å; L276-I398 HydrophobicContact CD2-CD1 4.36Å; L276-I398 HydrophobicContact CG-CD1 3.66Å
277	G	95.9	Very high	95.4	Very high	26 Å²	26	61.2 Å²	61.2	27%	0.268	32%	0.318	S	S	.	.			trans	94.4	169.6	-177.3	0	0	0	0	0	114.2	T273 D279 W280	T273-G277 WeakPolarHBondContact CA-O 3.37Å; T273-G277 CarbonylContact O-C 3.52Å; T273-G277 WeakPolarHBondContact O-CA 3.36Å; T273-G277 PolarHBondContact O-N 2.76Å; T273-G277 VanDerWaalsContact O-N 3.12Å; G277-D279 PolarHBondContact O-N 3.48Å; G277-W280 VanDerWaalsContact O-CD1 3.28Å; G277-W280 PolarHBondContact O-N 2.63Å
278	E	93.9	Very high	95.5	Very high	175 Å²	175	63 Å²	63	82%	0.818	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.9	179.7	-68.5	-166.4	162.3	0	0	112.8	T273	T273-E278 HydrophobicContact CG2-CB 4.46Å; T273-E278 HydrophobicContact CG2-CG 3.8Å
279	D	92.8	Very high	95.3	Very high	79 Å²	79	67.3 Å²	67.3	42%	0.422	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	11	-179.1	58.5	-33.8	0	0	0	113.5	G277 T281 E282	G277-D279 PolarHBondContact O-N 3.48Å; D279-T281 PolarHBondContact O-N 2.79Å; D279-E282 HydrophobicContact CB-CG 4.18Å; D279-E282 VanDerWaalsContact O-CB 3.25Å; D279-E282 WeakPolarHBondContact O-CB 3.35Å; D279-E282 WeakPolarHBondContact O-CG 3.41Å; D279-E282 PolarHBondContact O-N 3.2Å
280	W	94.5	Very high	95.1	Very high	19 Å²	19	67.8 Å²	67.8	7%	0.072	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-52.7	-29.1	-179.1	73.7	-90.5	0	0	0	113.7	L272 L276 G277 E282 H283 V284 F287	L272-W280 HydrophobicContact CB-CD2 4.04Å; L272-W280 HydrophobicContact CB-CG 4.22Å; L272-W280 HydrophobicContact CB-CZ2 4.4Å; L272-W280 HydrophobicContact CD1-CD2 4.1Å; L272-W280 HydrophobicContact CD1-CE3 4.08Å; L272-W280 HydrophobicContact CD1-CH2 3.5Å; L272-W280 VanDerWaalsContact CD1-CH2 3.5Å; L272-W280 HydrophobicContact CD1-CZ2 3.49Å; L272-W280 VanDerWaalsContact CD1-CZ2 3.49Å; L272-W280 HydrophobicContact CD1-CZ3 3.79Å; L276-W280 HydrophobicContact CB-CB 3.57Å; L276-W280 HydrophobicContact CD1-CB 4.26Å; G277-W280 VanDerWaalsContact O-CD1 3.28Å; G277-W280 PolarHBondContact O-N 2.63Å; W280-E282 PolarHBondContact O-N 3.43Å; W280-H283 PolarHBondContact O-N 2.86Å; W280-V284 HydrophobicContact CE3-CG2 4.3Å; W280-V284 HydrophobicContact CZ3-CG2 3.96Å; W280-F287 HydrophobicContact CH2-CB 4.32Å; W280-F287 AromaticContact CH2-CD1 3.82Å; W280-F287 HydrophobicContact CH2-CD1 3.82Å; W280-F287 HydrophobicContact CH2-CD2 4.22Å; W280-F287 HydrophobicContact CH2-CE1 4.18Å; W280-F287 AromaticContact CH2-CG 3.85Å; W280-F287 HydrophobicContact CH2-CG 3.85Å; W280-F287 HydrophobicContact CZ3-CB 4.28Å; W280-F287 HydrophobicContact CZ3-CD1 4.33Å; W280-F287 AromaticContact CZ3-CD2 3.91Å; W280-F287 HydrophobicContact CZ3-CD2 3.91Å; W280-F287 HydrophobicContact CZ3-CE2 4.37Å; W280-F287 AromaticContact CZ3-CG 3.91Å; W280-F287 HydrophobicContact CZ3-CG 3.91Å
281	T	93.4	Very high	95	Very high	74 Å²	74	60.4 Å²	60.4	45%	0.454	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.5	175.6	51.6	0	0	0	0	113.6	D279 H283 V284	D279-T281 PolarHBondContact O-N 2.79Å; T281-H283 VanDerWaalsContact C-N 3.28Å; T281-H283 PolarHBondContact O-N 2.62Å; T281-V284 PolarHBondContact O-N 3.2Å
282	E	93.9	Very high	94.6	Very high	136 Å²	136	61.5 Å²	61.5	64%	0.636	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-71.6	-22.1	175.9	-62.4	-167.5	174.6	0	0	112.4	D279 W280 K306	D279-E282 HydrophobicContact CB-CG 4.18Å; D279-E282 VanDerWaalsContact O-CB 3.25Å; D279-E282 WeakPolarHBondContact O-CB 3.35Å; D279-E282 WeakPolarHBondContact O-CG 3.41Å; D279-E282 PolarHBondContact O-N 3.2Å; W280-E282 PolarHBondContact O-N 3.43Å; E282-K306 WeakPolarHBondContact O-CE 3.35Å; E282-K306 VanDerWaalsContact O-CG 3.3Å; E282-K306 WeakPolarHBondContact O-CG 3.24Å
283	H	93.2	Very high	94	Very high	82 Å²	82	63 Å²	63	38%	0.38	34%	0.336	S	S	.	.	S	Bend	trans	-80.1	-19	176.7	-63.3	-79.5	0	0	0	113.8	W280 T281 K306 L393	W280-H283 PolarHBondContact O-N 2.86Å; T281-H283 VanDerWaalsContact C-N 3.28Å; T281-H283 PolarHBondContact O-N 2.62Å; H283-K306 PolarHBondContact O-N 2.7Å; H283-L393 HydrophobicContact CB-CD1 4.16Å; H283-L393 HydrophobicContact CB-CD2 3.73Å; H283-L393 HydrophobicContact CB-CG 4.48Å
284	V	95.9	Very high	93.4	Very high	10 Å²	10	62.3 Å²	62.3	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.5	-175.9	-65	0	0	0	0	111.4	W280 T281 F287 A303 T304 L305 K306	W280-V284 HydrophobicContact CE3-CG2 4.3Å; W280-V284 HydrophobicContact CZ3-CG2 3.96Å; T281-V284 PolarHBondContact O-N 3.2Å; V284-F287 HydrophobicContact CG2-CB 4.25Å; V284-A303 HydrophobicContact CG1-CB 4.11Å; V284-T304 CarbonylContact C-O 3.48Å; V284-T304 VanDerWaalsContact CA-O 3.32Å; V284-T304 WeakPolarHBondContact CA-O 3.5Å; V284-T304 WeakPolarHBondContact CB-O 3.21Å; V284-L305 HydrophobicContact CG1-CD2 4.22Å; V284-K306 WeakPolarHBondContact O-CE 3.34Å; V284-K306 PolarHBondContact O-NZ 3.21Å
285	S	96.2	Very high	92.5	Very high	66 Å²	66	59.7 Å²	59.7	46%	0.462	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-33	170.2	54	0	0	0	0	111.7	T304 L305	S285-T304 PolarHBondContact N-O 3.23Å; S285-T304 WeakPolarHBondContact OG-CB 2.89Å; S285-T304 WeakPolarHBondContact OG-CG2 3.48Å; S285-T304 PolarHBondContact OG-O 2.94Å; S285-T304 VanDerWaalsContact OG-O 3.09Å; S285-L305 PolarHBondContact OG-O 3.17Å
286	D	96.7	Very high	91.7	Very high	95 Å²	95	58.1 Å²	58.1	51%	0.508	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	145.1	178.1	-178.9	59.8	0	0	0	110.3	A303 T304	D286-A303 CarbonylContact O-C 3.56Å; D286-A303 WeakPolarHBondContact O-CA 3.3Å; D286-A303 WeakPolarHBondContact O-CB 3.48Å; D286-T304 PolarHBondContact N-O 3.45Å; D286-T304 PolarHBondContact O-N 3.39Å
287	F	96.5	Very high	91.3	Very high	28 Å²	28	56.9 Å²	56.9	12%	0.123	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	120.5	178.7	179.3	-94	0	0	0	110.7	M268 L272 W280 V284 E289 H301 A303 I313 I315	M268-F287 HydrophobicContact CE-CE1 3.63Å; M268-F287 HydrophobicContact CE-CZ 4.26Å; M268-F287 HydrophobicContact SD-CE1 3.75Å; M268-F287 HydrophobicContact SD-CZ 3.84Å; L272-F287 HydrophobicContact CD1-CE1 4.2Å; L272-F287 HydrophobicContact CD1-CE2 4.27Å; L272-F287 HydrophobicContact CD1-CZ 3.83Å; W280-F287 HydrophobicContact CH2-CB 4.32Å; W280-F287 AromaticContact CH2-CD1 3.82Å; W280-F287 HydrophobicContact CH2-CD1 3.82Å; W280-F287 HydrophobicContact CH2-CD2 4.22Å; W280-F287 HydrophobicContact CH2-CE1 4.18Å; W280-F287 AromaticContact CH2-CG 3.85Å; W280-F287 HydrophobicContact CH2-CG 3.85Å; W280-F287 HydrophobicContact CZ3-CB 4.28Å; W280-F287 HydrophobicContact CZ3-CD1 4.33Å; W280-F287 AromaticContact CZ3-CD2 3.91Å; W280-F287 HydrophobicContact CZ3-CD2 3.91Å; W280-F287 HydrophobicContact CZ3-CE2 4.37Å; W280-F287 AromaticContact CZ3-CG 3.91Å; W280-F287 HydrophobicContact CZ3-CG 3.91Å; V284-F287 HydrophobicContact CG2-CB 4.25Å; F287-E289 HydrophobicContact CD1-CG 4.13Å; F287-E289 HydrophobicContact CE1-CG 4.3Å; F287-E289 PolarHBondContact O-N 3.1Å; F287-H301 HydrophobicContact CE2-CB 3.71Å; F287-H301 HydrophobicContact CZ-CB 3.66Å; F287-H301 AromaticContact CZ-CG 3.64Å; F287-H301 AromaticContact CZ-ND1 3.76Å; F287-A303 HydrophobicContact CD2-CB 3.83Å; F287-I313 HydrophobicContact CD2-CD1 4.17Å; F287-I313 HydrophobicContact CE2-CD1 4.06Å; F287-I315 HydrophobicContact CZ-CD1 4.18Å
288	E	94.9	Very high	91.1	Very high	61 Å²	61	55.6 Å²	55.6	29%	0.285	29%	0.293	S	S	.	.			trans	-82.4	100.3	179.3	-165.2	169.9	-166.4	0	0	110.3	T152 K290 H301 R302	T152-E288 WeakPolarHBondContact CG2-OE1 3.28Å; E288-K290 PolarHBondContact O-N 3.16Å; E288-H301 PolarHBondContact O-ND1 2.94Å; E288-R302 HydrophobicContact CB-CB 4.3Å; E288-R302 VanDerWaalsContact CB-O 3.31Å; E288-R302 WeakPolarHBondContact CB-O 3.47Å; E288-R302 PolarHBondContact N-O 3.43Å
289	E	92.2	Very high	91.1	Very high	92 Å²	92	47.3 Å²	47.3	43%	0.43	26%	0.255	S	S	.	.	S	Bend	trans	-61.1	-20	-178.6	-64.7	-158.7	160.6	0	0	113.8	M268 R269 F287 H301	M268-E289 HydrophobicContact CE-CB 4.11Å; M268-E289 HydrophobicContact CE-CG 4.19Å; R269-E289 IonicContact CZ-OE1 3.14Å; R269-E289 IonicContact NH1-OE1 2.63Å; R269-E289 PolarHBondContact NH1-OE1 2.97Å; R269-E289 IonicContact NH1-OE2 2.7Å; R269-E289 PolarHBondContact NH1-OE2 2.8Å; F287-E289 HydrophobicContact CD1-CG 4.13Å; F287-E289 HydrophobicContact CE1-CG 4.3Å; F287-E289 PolarHBondContact O-N 3.1Å; E289-H301 PolarHBondContact O-CE1 3.45Å; E289-H301 PolarHBondContact O-ND1 3.4Å
290	K	91.1	Very high	91.2	Very high	102 Å²	102	44.6 Å²	44.6	44%	0.443	24%	0.241	S	C	.	.	S	Bend	trans	-91.1	121	175.1	-64.8	-175.9	177.6	-179.9	0	109	T152 D154 E288	T152-K290 HydrophobicContact CG2-CB 4.21Å; D154-K290 WeakPolarHBondContact OD1-CD 3.44Å; D154-K290 WeakPolarHBondContact OD2-CD 3.45Å; D154-K290 WeakPolarHBondContact OD2-CE 3.39Å; D154-K290 IonicContact OD2-NZ 2.78Å; D154-K290 PolarHBondContact OD2-NZ 3.07Å; E288-K290 PolarHBondContact O-N 3.16Å
291	P	92.6	Very high	91.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.238	C	C	.	.			trans	-69.5	149.5	178.5	26.3	-29.7	0	0	0	110.8	L153 F262 Q299 V300	L153-P291 WeakPolarHBondContact CB-O 3.22Å; L153-P291 HydrophobicContact CD1-CB 4.25Å; L153-P291 HydrophobicContact CD1-CG 4.04Å; L153-P291 WeakPolarHBondContact CG-O 3.41Å; L153-P291 PolarHBondContact N-O 3.39Å; F262-P291 HydrophobicContact CB-CG 3.47Å; F262-P291 VanDerWaalsContact CB-CG 3.47Å; F262-P291 HydrophobicContact CD1-CG 4.43Å; F262-P291 HydrophobicContact CD2-CG 4.19Å; F262-P291 HydrophobicContact CG-CG 3.8Å; P291-Q299 HydrophobicContact CB-CB 4.01Å; P291-Q299 HydrophobicContact CB-CG 4.28Å; P291-Q299 HydrophobicContact CG-CB 4.28Å; P291-Q299 HydrophobicContact CG-CG 4.43Å; P291-V300 CarbonylContact C-O 3.55Å; P291-V300 WeakPolarHBondContact CA-O 3.48Å; P291-V300 WeakPolarHBondContact CB-O 3.49Å
292	F	88.6	Confident	91.3	Very high	32 Å²	32	44.5 Å²	44.5	14%	0.14	23%	0.232	C	C	.	.	S	Bend	trans	-96.4	-18	172.9	68.9	-93.3	0	0	0	112.4	P150 L153 V300 R302 A312 Y403	P150-F292 HydrophobicContact CB-CD2 4.49Å; P150-F292 HydrophobicContact CG-CD2 4.19Å; L153-F292 WeakPolarHBondContact CD2-O 3.3Å; F292-V300 WeakPolarHBondContact CD1-O 3.31Å; F292-V300 HydrophobicContact CE1-CB 4.18Å; F292-V300 HydrophobicContact CE1-CG1 3.69Å; F292-V300 HydrophobicContact CE2-CG1 4.36Å; F292-V300 HydrophobicContact CZ-CB 4.04Å; F292-V300 HydrophobicContact CZ-CG1 3.49Å; F292-V300 VanDerWaalsContact CZ-CG1 3.49Å; F292-V300 PolarHBondContact N-O 2.81Å; F292-R302 HydrophobicContact CD1-CB 4.07Å; F292-R302 HydrophobicContact CE1-CB 4.15Å; F292-A312 HydrophobicContact CZ-CB 4.21Å; F292-Y403 HydrophobicContact CE1-CD2 4.36Å; F292-Y403 HydrophobicContact CE1-CE2 4.02Å; F292-Y403 HydrophobicContact CE2-CE2 4.3Å; F292-Y403 HydrophobicContact CZ-CD2 4.23Å; F292-Y403 AromaticContact CZ-CE2 3.85Å; F292-Y403 HydrophobicContact CZ-CE2 3.85Å
293	A	84.8	Confident	91.5	Very high	33 Å²	33	38 Å²	38	27%	0.273	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.5	174.9	0	0	0	0	0	112.1	Q299 V300	A293-Q299 CarbonylContact O-C 3.57Å; A293-Q299 WeakPolarHBondContact O-CA 3.41Å; A293-V300 HydrophobicContact CB-CB 4.16Å; A293-V300 HydrophobicContact CB-CG2 4.2Å; A293-V300 PolarHBondContact O-N 3.3Å
294	A	83.8	Confident	91.8	Very high	33 Å²	33	35.4 Å²	35.4	27%	0.273	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.2	174.8	0	0	0	0	0	108.1	L153 A260	L153-A294 HydrophobicContact CD1-CB 3.58Å; A260-A294 HydrophobicContact CB-CB 4.3Å
295	A	78.1	Confident	91.8	Very high	27 Å²	27	35.3 Å²	35.3	22%	0.223	19%	0.191	C	C	.	.			trans	-107.2	-179	178.8	0	0	0	0	0	110.8	I297 G298	A295-I297 VanDerWaalsContact C-N 3.25Å; A295-I297 PolarHBondContact O-N 2.72Å; A295-G298 PolarHBondContact N-O 2.81Å
296	S	79.9	Confident	91.7	Very high	20 Å²	20	38.4 Å²	38.4	14%	0.14	20%	0.196	C	C	.	.	S	Bend	trans	-54.8	-40	179.1	57	0	0	0	0	113	G228 E361	G228-S296 WeakPolarHBondContact CA-O 3.24Å; G228-S296 PolarHBondContact N-O 2.87Å; S296-E361 PolarHBondContact OG-OE2 2.78Å
297	I	88.8	Confident	91.6	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	20%	0.197	C	C	.	.	S	Bend	trans	-124.6	-0.3	-169.9	55.7	160.6	0	0	0	114.9	A295 Q316 Y317 I320 L358 E361 Y364	A295-I297 VanDerWaalsContact C-N 3.25Å; A295-I297 PolarHBondContact O-N 2.72Å; I297-Q316 WeakPolarHBondContact O-CG 3.36Å; I297-Y317 WeakPolarHBondContact O-CD2 3.37Å; I297-Y317 PolarHBondContact O-N 3.17Å; I297-I320 HydrophobicContact CB-CD1 4.05Å; I297-I320 HydrophobicContact CG2-CD1 3.89Å; I297-I320 HydrophobicContact CG2-CG1 4.42Å; I297-L358 HydrophobicContact CG2-CD1 3.49Å; I297-L358 VanDerWaalsContact CG2-CD1 3.49Å; I297-E361 HydrophobicContact CD1-CB 3.71Å; I297-E361 WeakPolarHBondContact CD1-O 3.48Å; I297-Y364 HydrophobicContact CD1-CE1 3.64Å; I297-Y364 HydrophobicContact CG1-CE1 4.44Å
298	G	92	Very high	91.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-174.6	-179	0	0	0	0	0	113.1	A295 I315 Y317	A295-G298 PolarHBondContact N-O 2.81Å; G298-I315 CarbonylContact C-O 3.56Å; G298-I315 WeakPolarHBondContact CA-O 3.27Å; G298-Y317 PolarHBondContact O-OH 2.96Å
299	Q	92.9	Very high	91.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.6	177.4	64.2	-174	39.9	0	0	110.6	M263 P291 A293 H301 K314 I315 Y317	M263-Q299 HydrophobicContact CE-CG 4.11Å; M263-Q299 VanDerWaalsContact CG-OE1 3.29Å; P291-Q299 HydrophobicContact CB-CB 4.01Å; P291-Q299 HydrophobicContact CB-CG 4.28Å; P291-Q299 HydrophobicContact CG-CB 4.28Å; P291-Q299 HydrophobicContact CG-CG 4.43Å; A293-Q299 CarbonylContact O-C 3.57Å; A293-Q299 WeakPolarHBondContact O-CA 3.41Å; Q299-H301 WeakPolarHBondContact CG-NE2 3.29Å; Q299-H301 PolarHBondContact NE2-CE1 2.97Å; Q299-H301 PolarHBondContact NE2-NE2 3.4Å; Q299-K314 CarbonylContact O-C 3.56Å; Q299-K314 WeakPolarHBondContact O-CA 3.42Å; Q299-I315 PolarHBondContact N-O 3.11Å; Q299-I315 PolarHBondContact O-N 2.86Å; Q299-Y317 HydrophobicContact CB-CE1 4.4Å; Q299-Y317 HydrophobicContact CG-CE1 4.47Å
300	V	94.3	Very high	91.9	Very high	22 Å²	22	41.2 Å²	41.2	13%	0.133	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	-172.3	-164.8	0	0	0	0	110.2	P291 F292 A293 A312 I313 K314	P291-V300 CarbonylContact C-O 3.55Å; P291-V300 WeakPolarHBondContact CA-O 3.48Å; P291-V300 WeakPolarHBondContact CB-O 3.49Å; F292-V300 WeakPolarHBondContact CD1-O 3.31Å; F292-V300 HydrophobicContact CE1-CB 4.18Å; F292-V300 HydrophobicContact CE1-CG1 3.69Å; F292-V300 HydrophobicContact CE2-CG1 4.36Å; F292-V300 HydrophobicContact CZ-CB 4.04Å; F292-V300 HydrophobicContact CZ-CG1 3.49Å; F292-V300 VanDerWaalsContact CZ-CG1 3.49Å; F292-V300 PolarHBondContact N-O 2.81Å; A293-V300 HydrophobicContact CB-CB 4.16Å; A293-V300 HydrophobicContact CB-CG2 4.2Å; A293-V300 PolarHBondContact O-N 3.3Å; V300-A312 HydrophobicContact CG1-CB 3.87Å; V300-I313 WeakPolarHBondContact CA-O 3.3Å; V300-K314 HydrophobicContact CG2-CB 4.05Å; V300-K314 HydrophobicContact CG2-CG 4.1Å
301	H	95.9	Very high	92.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.5	178.9	-66.4	-98.4	0	0	0	110.3	F287 E288 E289 Q299 A312 I313	F287-H301 HydrophobicContact CE2-CB 3.71Å; F287-H301 HydrophobicContact CZ-CB 3.66Å; F287-H301 AromaticContact CZ-CG 3.64Å; F287-H301 AromaticContact CZ-ND1 3.76Å; E288-H301 PolarHBondContact O-ND1 2.94Å; E289-H301 PolarHBondContact O-CE1 3.45Å; E289-H301 PolarHBondContact O-ND1 3.4Å; Q299-H301 WeakPolarHBondContact CG-NE2 3.29Å; Q299-H301 PolarHBondContact NE2-CE1 2.97Å; Q299-H301 PolarHBondContact NE2-NE2 3.4Å; H301-A312 CarbonylContact O-C 3.45Å; H301-A312 WeakPolarHBondContact O-CA 3.47Å; H301-I313 PolarHBondContact N-O 3.48Å; H301-I313 PolarHBondContact O-N 3.4Å
302	R	96.1	Very high	92.4	Very high	90 Å²	90	36.9 Å²	36.9	34%	0.34	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	139.4	170.2	-176.4	173.6	167	-126.9	-3.8	108.7	E288 F292 I310 Y403	E288-R302 HydrophobicContact CB-CB 4.3Å; E288-R302 VanDerWaalsContact CB-O 3.31Å; E288-R302 WeakPolarHBondContact CB-O 3.47Å; E288-R302 PolarHBondContact N-O 3.43Å; F292-R302 HydrophobicContact CD1-CB 4.07Å; F292-R302 HydrophobicContact CE1-CB 4.15Å; R302-I310 HydrophobicContact CG-CG2 4.03Å; R302-Y403 HydrophobicContact CG-CD2 4.26Å; R302-Y403 HydrophobicContact CG-CE2 4.35Å
303	A	97.5	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.1	173.7	0	0	0	0	0	110.4	V284 D286 F287 I310 V311 I313	V284-A303 HydrophobicContact CG1-CB 4.11Å; D286-A303 CarbonylContact O-C 3.56Å; D286-A303 WeakPolarHBondContact O-CA 3.3Å; D286-A303 WeakPolarHBondContact O-CB 3.48Å; F287-A303 HydrophobicContact CD2-CB 3.83Å; A303-I310 WeakPolarHBondContact O-CA 3.21Å; A303-V311 HydrophobicContact CB-CG2 3.88Å; A303-V311 PolarHBondContact N-O 3.44Å; A303-V311 PolarHBondContact O-N 2.85Å; A303-I313 HydrophobicContact CB-CD1 3.63Å; A303-I313 HydrophobicContact CB-CG1 4.21Å
304	T	98.2	Very high	93.5	Very high	27 Å²	27	34.7 Å²	34.7	17%	0.166	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.4	171.4	-51	0	0	0	0	107.8	V284 S285 D286 R309	V284-T304 CarbonylContact C-O 3.48Å; V284-T304 VanDerWaalsContact CA-O 3.32Å; V284-T304 WeakPolarHBondContact CA-O 3.5Å; V284-T304 WeakPolarHBondContact CB-O 3.21Å; S285-T304 PolarHBondContact N-O 3.23Å; S285-T304 WeakPolarHBondContact OG-CB 2.89Å; S285-T304 WeakPolarHBondContact OG-CG2 3.48Å; S285-T304 PolarHBondContact OG-O 2.94Å; S285-T304 VanDerWaalsContact OG-O 3.09Å; D286-T304 PolarHBondContact N-O 3.45Å; D286-T304 PolarHBondContact O-N 3.39Å; T304-R309 WeakPolarHBondContact CA-O 3.36Å
305	L	97.4	Very high	94.1	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	165.9	175.4	-60.7	-171.7	0	0	0	110.9	V284 S285 D307 G308 R309 V311 I390 L393	V284-L305 HydrophobicContact CG1-CD2 4.22Å; S285-L305 PolarHBondContact OG-O 3.17Å; L305-D307 VanDerWaalsContact CB-OD1 3.31Å; L305-D307 WeakPolarHBondContact CB-OD1 3.39Å; L305-D307 PolarHBondContact O-N 2.9Å; L305-G308 PolarHBondContact O-N 3.44Å; L305-G308 VanDerWaalsContact O-N 3.08Å; L305-R309 HydrophobicContact CB-CB 4.48Å; L305-R309 HydrophobicContact CD1-CB 4.18Å; L305-R309 HydrophobicContact CG-CB 4.44Å; L305-R309 PolarHBondContact N-O 2.78Å; L305-V311 HydrophobicContact CD1-CG1 3.83Å; L305-V311 HydrophobicContact CD2-CG1 4.17Å; L305-V311 HydrophobicContact CD2-CG2 3.82Å; L305-V311 HydrophobicContact CG-CG1 3.78Å; L305-V311 HydrophobicContact CG-CG2 4.16Å; L305-I390 HydrophobicContact CD1-CG2 4.44Å; L305-L393 HydrophobicContact CD2-CD1 3.56Å
306	K	94.4	Very high	94.9	Very high	131 Å²	131	32 Å²	32	57%	0.57	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.4	175.5	-67.1	-60.7	-171.1	-163.8	0	113.5	E282 H283 V284 G308	E282-K306 WeakPolarHBondContact O-CE 3.35Å; E282-K306 VanDerWaalsContact O-CG 3.3Å; E282-K306 WeakPolarHBondContact O-CG 3.24Å; H283-K306 PolarHBondContact O-N 2.7Å; V284-K306 WeakPolarHBondContact O-CE 3.34Å; V284-K306 PolarHBondContact O-NZ 3.21Å; K306-G308 PolarHBondContact O-N 3.12Å
307	D	94.3	Very high	95.5	Very high	100 Å²	100	31 Å²	31	54%	0.535	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.9	175.6	66.7	12.9	0	0	0	113.8	L305 R309	L305-D307 VanDerWaalsContact CB-OD1 3.31Å; L305-D307 WeakPolarHBondContact CB-OD1 3.39Å; L305-D307 PolarHBondContact O-N 2.9Å; D307-R309 WeakPolarHBondContact OD1-CB 3.46Å; D307-R309 WeakPolarHBondContact OD1-CG 3.45Å; D307-R309 PolarHBondContact OD1-N 2.93Å; D307-R309 IonicContact OD1-NE 3.67Å; D307-R309 PolarHBondContact OD1-NE 2.85Å; D307-R309 IonicContact OD2-CZ 3.76Å; D307-R309 IonicContact OD2-NE 3.97Å; D307-R309 PolarHBondContact OD2-NE 3.03Å; D307-R309 IonicContact OD2-NH2 3.32Å; D307-R309 PolarHBondContact OD2-NH2 2.77Å
308	G	95.2	Very high	95.6	Very high	49 Å²	49	31.9 Å²	31.9	51%	0.505	16%	0.163	S	C	.	.	S	Bend	trans	90.3	-5.5	178.6	0	0	0	0	0	115.2	L305 K306	L305-G308 PolarHBondContact O-N 3.44Å; L305-G308 VanDerWaalsContact O-N 3.08Å; K306-G308 PolarHBondContact O-N 3.12Å
309	R	96.4	Very high	95.4	Very high	122 Å²	122	32.1 Å²	32.1	46%	0.46	17%	0.165	S	C	.	.			trans	-65.1	136	173.7	-70.2	-176.2	-71	164.3	-2.3	110.5	T304 L305 D307	T304-R309 WeakPolarHBondContact CA-O 3.36Å; L305-R309 HydrophobicContact CB-CB 4.48Å; L305-R309 HydrophobicContact CD1-CB 4.18Å; L305-R309 HydrophobicContact CG-CB 4.44Å; L305-R309 PolarHBondContact N-O 2.78Å; D307-R309 WeakPolarHBondContact OD1-CB 3.46Å; D307-R309 WeakPolarHBondContact OD1-CG 3.45Å; D307-R309 PolarHBondContact OD1-N 2.93Å; D307-R309 IonicContact OD1-NE 3.67Å; D307-R309 PolarHBondContact OD1-NE 2.85Å; D307-R309 IonicContact OD2-CZ 3.76Å; D307-R309 IonicContact OD2-NE 3.97Å; D307-R309 PolarHBondContact OD2-NE 3.03Å; D307-R309 IonicContact OD2-NH2 3.32Å; D307-R309 PolarHBondContact OD2-NH2 2.77Å
310	I	97.6	Very high	95.2	Very high	63 Å²	63	32.1 Å²	32.1	32%	0.323	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131.2	174.7	-52.6	175	0	0	0	108.2	R302 A303 Y403	R302-I310 HydrophobicContact CG-CG2 4.03Å; A303-I310 WeakPolarHBondContact O-CA 3.21Å; I310-Y403 HydrophobicContact CG2-CD1 3.97Å; I310-Y403 HydrophobicContact CG2-CG 3.79Å; I310-Y403 WeakPolarHBondContact O-CB 3.36Å; I310-Y403 PolarHBondContact O-N 3Å
311	V	98	Very high	95	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.3	-176.7	-62.9	0	0	0	0	111.8	A303 L305 I313 I390 T400 T401	A303-V311 HydrophobicContact CB-CG2 3.88Å; A303-V311 PolarHBondContact N-O 3.44Å; A303-V311 PolarHBondContact O-N 2.85Å; L305-V311 HydrophobicContact CD1-CG1 3.83Å; L305-V311 HydrophobicContact CD2-CG1 4.17Å; L305-V311 HydrophobicContact CD2-CG2 3.82Å; L305-V311 HydrophobicContact CG-CG1 3.78Å; L305-V311 HydrophobicContact CG-CG2 4.16Å; V311-I313 HydrophobicContact CG2-CD1 4.31Å; V311-I313 HydrophobicContact CG2-CG1 4.05Å; V311-I390 HydrophobicContact CG1-CG1 4Å; V311-T400 HydrophobicContact CB-CG2 3.85Å; V311-T400 HydrophobicContact CG1-CG2 4.24Å; V311-T400 HydrophobicContact CG2-CG2 3.95Å; V311-T401 CarbonylContact C-O 3.5Å; V311-T401 WeakPolarHBondContact CA-O 3.24Å; V311-T401 VanDerWaalsContact CB-O 3.23Å; V311-T401 WeakPolarHBondContact CB-O 3.34Å
312	A	97.3	Very high	94.7	Very high	12 Å²	12	36.9 Å²	36.9	10%	0.099	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.1	167.6	0	0	0	0	0	108.6	F292 V300 H301 T400 T401 Y403	F292-A312 HydrophobicContact CZ-CB 4.21Å; V300-A312 HydrophobicContact CG1-CB 3.87Å; H301-A312 CarbonylContact O-C 3.45Å; H301-A312 WeakPolarHBondContact O-CA 3.47Å; A312-T400 WeakPolarHBondContact O-CA 3.29Å; A312-T401 PolarHBondContact N-O 3.5Å; A312-T401 PolarHBondContact O-N 2.95Å; A312-Y403 HydrophobicContact CB-CD2 4.26Å
313	I	97.9	Very high	94.3	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	104.1	179.5	-54.1	-177.4	0	0	0	108.3	L272 F287 V300 H301 A303 V311 I315 I398 T400	L272-I313 HydrophobicContact CD2-CG2 4.48Å; F287-I313 HydrophobicContact CD2-CD1 4.17Å; F287-I313 HydrophobicContact CE2-CD1 4.06Å; V300-I313 WeakPolarHBondContact CA-O 3.3Å; H301-I313 PolarHBondContact N-O 3.48Å; H301-I313 PolarHBondContact O-N 3.4Å; A303-I313 HydrophobicContact CB-CD1 3.63Å; A303-I313 HydrophobicContact CB-CG1 4.21Å; V311-I313 HydrophobicContact CG2-CD1 4.31Å; V311-I313 HydrophobicContact CG2-CG1 4.05Å; I313-I315 HydrophobicContact CG2-CD1 4.29Å; I313-I315 HydrophobicContact CG2-CG1 3.85Å; I313-I398 HydrophobicContact CG2-CG2 3.65Å; I313-T400 HydrophobicContact CG1-CG2 3.99Å
314	K	96.8	Very high	93.9	Very high	16 Å²	16	33 Å²	33	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.8	174.8	-180	175.7	173.8	-178.3	0	108.9	Q299 V300 Y364 E367 I398 L399 D463	Q299-K314 CarbonylContact O-C 3.56Å; Q299-K314 WeakPolarHBondContact O-CA 3.42Å; V300-K314 HydrophobicContact CG2-CB 4.05Å; V300-K314 HydrophobicContact CG2-CG 4.1Å; K314-Y364 HydrophobicContact CD-CE2 4.5Å; K314-Y364 HydrophobicContact CG-CE2 3.92Å; K314-Y364 WeakPolarHBondContact O-CE2 3.32Å; K314-E367 IonicContact NZ-OE1 3.39Å; K314-E367 PolarHBondContact NZ-OE1 2.91Å; K314-E367 IonicContact NZ-OE2 2.74Å; K314-E367 PolarHBondContact NZ-OE2 2.81Å; K314-I398 CarbonylContact O-C 3.58Å; K314-I398 WeakPolarHBondContact O-CA 3.41Å; K314-L399 HydrophobicContact CB-CB 4.22Å; K314-L399 HydrophobicContact CD-CD2 4.45Å; K314-L399 PolarHBondContact N-O 2.55Å; K314-L399 PolarHBondContact O-N 3.18Å; K314-D463 VanDerWaalsContact NZ-CG 3.32Å; K314-D463 IonicContact NZ-OD1 3.18Å; K314-D463 PolarHBondContact NZ-OD1 3.28Å; K314-D463 IonicContact NZ-OD2 2.86Å; K314-D463 PolarHBondContact NZ-OD2 3.22Å
315	I	97.4	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.2	-173.5	-52.8	174	0	0	0	109.2	M263 M268 V271 L272 F287 G298 Q299 I313	M263-I315 HydrophobicContact CE-CB 4.29Å; M263-I315 HydrophobicContact CE-CG2 3.72Å; M268-I315 HydrophobicContact CG-CD1 3.7Å; M268-I315 HydrophobicContact SD-CD1 4.12Å; V271-I315 HydrophobicContact CB-CG2 3.89Å; V271-I315 HydrophobicContact CG1-CG2 3.61Å; L272-I315 HydrophobicContact CD1-CD1 4.09Å; L272-I315 HydrophobicContact CD2-CD1 3.61Å; L272-I315 HydrophobicContact CD2-CG1 4.12Å; L272-I315 HydrophobicContact CG-CD1 3.86Å; F287-I315 HydrophobicContact CZ-CD1 4.18Å; G298-I315 CarbonylContact C-O 3.56Å; G298-I315 WeakPolarHBondContact CA-O 3.27Å; Q299-I315 PolarHBondContact N-O 3.11Å; Q299-I315 PolarHBondContact O-N 2.86Å; I313-I315 HydrophobicContact CG2-CD1 4.29Å; I313-I315 HydrophobicContact CG2-CG1 3.85Å
316	Q	95.5	Very high	92.9	Very high	2 Å²	2	36 Å²	36	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	143.5	-179.8	-168.4	-179.4	107.3	0	0	112.1	I297 I320 C362 Y364 R397	I297-Q316 WeakPolarHBondContact O-CG 3.36Å; Q316-I320 HydrophobicContact CG-CG2 3.5Å; Q316-C362 PolarHBondContact NE2-O 3.44Å; Q316-Y364 HydrophobicContact CB-CE2 3.96Å; Q316-R397 HydrophobicContact CB-CB 4.03Å; Q316-R397 VanDerWaalsContact CB-O 3.29Å; Q316-R397 WeakPolarHBondContact CB-O 3.32Å; Q316-R397 PolarHBondContact N-O 3.19Å
317	Y	92.5	Very high	92.5	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-65.6	136.4	170.9	-67.4	-52.8	0	0	0	111.2	V164 R227 D261 M263 I297 G298 Q299 G319 I320	V164-Y317 HydrophobicContact CG1-CG 4.44Å; V164-Y317 HydrophobicContact CG2-CD1 3.94Å; V164-Y317 HydrophobicContact CG2-CE1 4.28Å; V164-Y317 HydrophobicContact CG2-CG 4.48Å; R227-Y317 HydrophobicContact CB-CD2 4.22Å; R227-Y317 HydrophobicContact CB-CE2 4.41Å; R227-Y317 HydrophobicContact CG-CD2 4.14Å; R227-Y317 HydrophobicContact CG-CE2 4.01Å; D261-Y317 PolarHBondContact O-OH 3.04Å; M263-Y317 HydrophobicContact CB-CD1 4.25Å; M263-Y317 HydrophobicContact CB-CE1 4.33Å; M263-Y317 HydrophobicContact CG-CD1 4.27Å; M263-Y317 HydrophobicContact CG-CE1 4.37Å; M263-Y317 HydrophobicContact SD-CD1 4.34Å; I297-Y317 WeakPolarHBondContact O-CD2 3.37Å; I297-Y317 PolarHBondContact O-N 3.17Å; G298-Y317 PolarHBondContact O-OH 2.96Å; Q299-Y317 HydrophobicContact CB-CE1 4.4Å; Q299-Y317 HydrophobicContact CG-CE1 4.47Å; Y317-G319 PolarHBondContact O-N 3.19Å; Y317-I320 HydrophobicContact CD2-CD1 4.21Å; Y317-I320 WeakPolarHBondContact O-CG2 3.31Å; Y317-I320 PolarHBondContact O-N 3.34Å
318	P	90.3	Very high	92.2	Very high	21 Å²	21	25 Å²	25	14%	0.136	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	133.5	-172.9	26.4	-35.9	0	0	0	111.9	S166 M263 Q267 V271 I320	S166-P318 WeakPolarHBondContact CA-O 3.3Å; M263-P318 HydrophobicContact SD-CG 4.5Å; Q267-P318 HydrophobicContact CB-CG 4.42Å; V271-P318 HydrophobicContact CG2-CB 4.14Å; P318-I320 PolarHBondContact O-N 3.38Å
319	G	87.9	Confident	91.8	Very high	5 Å²	5	26.5 Å²	26.5	5%	0.052	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.2	174	0	0	0	0	0	115.4	Y317 S323	Y317-G319 PolarHBondContact O-N 3.19Å; G319-S323 VanDerWaalsContact O-CB 3.3Å; G319-S323 WeakPolarHBondContact O-CB 3.44Å; G319-S323 PolarHBondContact O-N 2.84Å; G319-S323 PolarHBondContact O-OG 3.4Å
320	I	88.8	Confident	91.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.131	C	C	.	.	S	Bend	trans	-67.7	-49.2	-179.8	-161.4	155.3	0	0	0	111.4	R227 I297 Q316 Y317 P318 D322 S323 I324	R227-I320 HydrophobicContact CB-CD1 4.21Å; I297-I320 HydrophobicContact CB-CD1 4.05Å; I297-I320 HydrophobicContact CG2-CD1 3.89Å; I297-I320 HydrophobicContact CG2-CG1 4.42Å; Q316-I320 HydrophobicContact CG-CG2 3.5Å; Y317-I320 HydrophobicContact CD2-CD1 4.21Å; Y317-I320 WeakPolarHBondContact O-CG2 3.31Å; Y317-I320 PolarHBondContact O-N 3.34Å; P318-I320 PolarHBondContact O-N 3.38Å; I320-D322 VanDerWaalsContact C-N 3.27Å; I320-D322 PolarHBondContact O-N 2.89Å; I320-S323 PolarHBondContact O-N 2.96Å; I320-I324 WeakPolarHBondContact O-CG1 3.27Å; I320-I324 PolarHBondContact O-N 3.42Å
321	A	90.5	Very high	90.3	Very high	33 Å²	33	19.7 Å²	19.7	27%	0.273	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-57	-42.2	177.3	0	0	0	0	0	111.7	S323 C362	A321-S323 PolarHBondContact O-N 2.94Å; A321-C362 HydrophobicContact CB-CB 3.94Å
322	D	89.2	Confident	89.6	Confident	89 Å²	89	20.5 Å²	20.5	48%	0.476	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-71.5	-12	-178.6	-56.5	-48.6	0	0	0	113.6	R168 I320 R397	R168-D322 WeakPolarHBondContact CD-O 3.34Å; I320-D322 VanDerWaalsContact C-N 3.27Å; I320-D322 PolarHBondContact O-N 2.89Å; D322-R397 IonicContact OD1-NH2 3.31Å; D322-R397 PolarHBondContact OD1-NH2 3.44Å; D322-R397 IonicContact OD2-NH1 3.03Å; D322-R397 IonicContact OD2-NH2 3.83Å; D322-R397 PolarHBondContact OD2-NH2 3.46Å
323	S	88.1	Confident	88.8	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.007	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-118.5	1.5	-171	-53.9	0	0	0	0	114.2	R171 G319 I320 A321 D325 A326 D327	R171-S323 WeakPolarHBondContact CD-OG 3.46Å; G319-S323 VanDerWaalsContact O-CB 3.3Å; G319-S323 WeakPolarHBondContact O-CB 3.44Å; G319-S323 PolarHBondContact O-N 2.84Å; G319-S323 PolarHBondContact O-OG 3.4Å; I320-S323 PolarHBondContact O-N 2.96Å; A321-S323 PolarHBondContact O-N 2.94Å; S323-D325 PolarHBondContact O-N 2.85Å; S323-A326 PolarHBondContact O-N 3.19Å; S323-D327 WeakPolarHBondContact O-CB 3.19Å; S323-D327 PolarHBondContact O-N 2.83Å
324	I	88.3	Confident	87.6	Confident	7 Å²	7	24.3 Å²	24.3	4%	0.036	15%	0.147	C	C	.	.	H	α-helix	trans	-49.9	-53.6	-176.5	-68.2	171	0	0	0	111.8	I320 A326 D327 I328 R355 L358 R359 C362	I320-I324 WeakPolarHBondContact O-CG1 3.27Å; I320-I324 PolarHBondContact O-N 3.42Å; I324-A326 PolarHBondContact O-N 3.3Å; I324-D327 PolarHBondContact O-N 3.35Å; I324-I328 HydrophobicContact CG2-CD1 3.91Å; I324-I328 WeakPolarHBondContact O-CB 3.47Å; I324-I328 WeakPolarHBondContact O-CG1 3.35Å; I324-I328 PolarHBondContact O-N 3.02Å; I324-R355 HydrophobicContact CG2-CG 4.16Å; I324-L358 HydrophobicContact CD1-CG 4.16Å; I324-L358 HydrophobicContact CG1-CD2 4.07Å; I324-L358 HydrophobicContact CG1-CG 4.08Å; I324-L358 HydrophobicContact CG2-CB 4.45Å; I324-L358 HydrophobicContact CG2-CD2 4.05Å; I324-L358 HydrophobicContact CG2-CG 4.39Å; I324-R359 HydrophobicContact CD1-CB 4.29Å; I324-R359 HydrophobicContact CD1-CG 3.67Å; I324-R359 HydrophobicContact CG2-CG 4.18Å; I324-C362 HydrophobicContact CD1-CB 4.33Å
325	D	88.7	Confident	86.5	Confident	68 Å²	68	24.4 Å²	24.4	36%	0.364	15%	0.148	S	C	.	.	H	α-helix	trans	-65.3	-43.4	-177.1	-75.5	-49.3	0	0	0	112.7	S323 N329 R355 R359	S323-D325 PolarHBondContact O-N 2.85Å; D325-N329 VanDerWaalsContact O-CB 3.24Å; D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 3.27Å; D325-N329 PolarHBondContact O-ND2 2.93Å; D325-N329 PolarHBondContact O-OD1 3.21Å; D325-R355 WeakPolarHBondContact OD1-CD 3.48Å; D325-R355 IonicContact OD1-NE 2.76Å; D325-R355 PolarHBondContact OD1-NE 3.19Å; D325-R355 VanDerWaalsContact OD1-NE 3.14Å; D325-R359 IonicContact OD1-CZ 3.74Å; D325-R359 IonicContact OD1-NH2 2.73Å; D325-R359 PolarHBondContact OD1-NH2 3.5Å; D325-R359 IonicContact OD2-CZ 3.38Å; D325-R359 IonicContact OD2-NE 2.8Å; D325-R359 IonicContact OD2-NH2 3.41Å; D325-R359 PolarHBondContact OD2-NH2 2.97Å
326	A	86.4	Confident	85.4	Confident	30 Å²	30	28 Å²	28	25%	0.248	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-45.8	178.5	0	0	0	0	0	110.8	S323 I324 N329 N330	S323-A326 PolarHBondContact O-N 3.19Å; I324-A326 PolarHBondContact O-N 3.3Å; A326-N329 PolarHBondContact O-N 3.32Å; A326-N330 VanDerWaalsContact O-CB 3.29Å; A326-N330 WeakPolarHBondContact O-CB 3.31Å; A326-N330 PolarHBondContact O-N 3.1Å; A326-N330 PolarHBondContact O-ND2 2.86Å
327	D	86.4	Confident	84.1	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-44.2	-178	-66.5	-19.8	0	0	0	112.1	R171 F175 A229 S323 I324 N330 L331	R171-D327 IonicContact CZ-OD2 2.71Å; R171-D327 IonicContact NE-OD1 2.81Å; R171-D327 PolarHBondContact NE-OD1 2.92Å; R171-D327 IonicContact NE-OD2 2.65Å; R171-D327 PolarHBondContact NE-OD2 3.03Å; R171-D327 IonicContact NH2-OD2 3.6Å; R171-D327 PolarHBondContact NH2-OD2 3.04Å; F175-D327 HydrophobicContact CE2-CB 3.94Å; F175-D327 WeakPolarHBondContact CE2-OD1 3.09Å; F175-D327 HydrophobicContact CZ-CB 4.19Å; A229-D327 HydrophobicContact CB-CB 3.54Å; S323-D327 WeakPolarHBondContact O-CB 3.19Å; S323-D327 PolarHBondContact O-N 2.83Å; I324-D327 PolarHBondContact O-N 3.35Å; D327-N330 PolarHBondContact O-N 3Å; D327-L331 VanDerWaalsContact O-CB 3.24Å; D327-L331 WeakPolarHBondContact O-CB 3.47Å; D327-L331 PolarHBondContact O-N 3.17Å
328	I	87.5	Confident	82.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-44.8	176.6	-73.7	179.4	0	0	0	110.3	A229 L233 I324 L331 T332 I351 R355 L358	A229-I328 HydrophobicContact CB-CG1 3.77Å; L233-I328 HydrophobicContact CD1-CG1 4.24Å; L233-I328 HydrophobicContact CD1-CG2 4.36Å; I324-I328 HydrophobicContact CG2-CD1 3.91Å; I324-I328 WeakPolarHBondContact O-CB 3.47Å; I324-I328 WeakPolarHBondContact O-CG1 3.35Å; I324-I328 PolarHBondContact O-N 3.02Å; I328-L331 PolarHBondContact O-N 3.18Å; I328-T332 WeakPolarHBondContact O-CB 3.29Å; I328-T332 PolarHBondContact O-N 3.25Å; I328-T332 PolarHBondContact O-OG1 3.24Å; I328-I351 HydrophobicContact CG2-CG2 3.46Å; I328-I351 VanDerWaalsContact CG2-CG2 3.46Å; I328-R355 VanDerWaalsContact CD1-CA 3.42Å; I328-R355 HydrophobicContact CD1-CB 3.54Å; I328-R355 HydrophobicContact CD1-CG 3.88Å; I328-L358 HydrophobicContact CD1-CD2 4.41Å
329	N	86.8	Confident	81.7	Confident	79 Å²	79	43 Å²	43	42%	0.422	23%	0.231	S	C	.	.	H	α-helix	trans	-66	-41.5	179.6	-68.5	-12	0	0	0	111.8	D325 A326 S333 R355	D325-N329 VanDerWaalsContact O-CB 3.24Å; D325-N329 WeakPolarHBondContact O-CB 3.47Å; D325-N329 PolarHBondContact O-N 3.27Å; D325-N329 PolarHBondContact O-ND2 2.93Å; D325-N329 PolarHBondContact O-OD1 3.21Å; A326-N329 PolarHBondContact O-N 3.32Å; N329-S333 VanDerWaalsContact O-CB 3.27Å; N329-S333 WeakPolarHBondContact O-CB 3.35Å; N329-S333 PolarHBondContact O-N 2.63Å; N329-S333 PolarHBondContact O-OG 3.23Å; N329-R355 PolarHBondContact OD1-NH2 3.23Å
330	N	82.8	Confident	80.6	Confident	36 Å²	36	44.7 Å²	44.7	19%	0.193	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-48.2	176.3	-72.3	-35.1	0	0	0	111.1	V172 F175 A326 D327 S333 L334	V172-N330 WeakPolarHBondContact CG2-ND2 2.97Å; F175-N330 HydrophobicContact CB-CB 4.18Å; F175-N330 HydrophobicContact CD2-CB 3.61Å; F175-N330 HydrophobicContact CE2-CB 4.06Å; F175-N330 HydrophobicContact CG-CB 3.86Å; A326-N330 VanDerWaalsContact O-CB 3.29Å; A326-N330 WeakPolarHBondContact O-CB 3.31Å; A326-N330 PolarHBondContact O-N 3.1Å; A326-N330 PolarHBondContact O-ND2 2.86Å; D327-N330 PolarHBondContact O-N 3Å; N330-S333 PolarHBondContact O-N 2.89Å; N330-L334 VanDerWaalsContact O-CG 3.28Å; N330-L334 WeakPolarHBondContact O-CG 3.5Å; N330-L334 PolarHBondContact O-N 3.16Å
331	L	80.1	Confident	79.4	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-44.8	179.8	-176.3	53.7	0	0	0	111.1	F175 L223 A230 L233 D327 I328 S333 L334 L335	F175-L331 HydrophobicContact CE1-CB 4.07Å; F175-L331 HydrophobicContact CE1-CD1 4.3Å; F175-L331 HydrophobicContact CZ-CB 4.34Å; L223-L331 HydrophobicContact CD2-CD1 3.85Å; L223-L331 HydrophobicContact CD2-CD2 4.26Å; A230-L331 HydrophobicContact CB-CD2 4.16Å; L233-L331 HydrophobicContact CB-CD2 4.28Å; L233-L331 HydrophobicContact CD1-CB 4.22Å; L233-L331 HydrophobicContact CD1-CD2 3.71Å; L233-L331 HydrophobicContact CD1-CG 4.04Å; D327-L331 VanDerWaalsContact O-CB 3.24Å; D327-L331 WeakPolarHBondContact O-CB 3.47Å; D327-L331 PolarHBondContact O-N 3.17Å; I328-L331 PolarHBondContact O-N 3.18Å; L331-S333 VanDerWaalsContact C-N 3.35Å; L331-S333 PolarHBondContact O-N 3.31Å; L331-L334 WeakPolarHBondContact O-CB 3.27Å; L331-L334 PolarHBondContact O-N 3.37Å; L331-L335 HydrophobicContact CD1-CD1 4.18Å; L331-L335 HydrophobicContact CD1-CD2 4.41Å; L331-L335 HydrophobicContact CD1-CG 4.04Å; L331-L335 HydrophobicContact CG-CD1 4.01Å; L331-L335 HydrophobicContact CG-CG 4.32Å; L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.24Å; L331-L335 PolarHBondContact O-N 3.06Å
332	T	82	Confident	77.9	Confident	18 Å²	18	46.4 Å²	46.4	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-46.4	175	-58.1	0	0	0	0	111.3	I328 L334 L335 N336 I351	I328-T332 WeakPolarHBondContact O-CB 3.29Å; I328-T332 PolarHBondContact O-N 3.25Å; I328-T332 PolarHBondContact O-OG1 3.24Å; T332-L334 VanDerWaalsContact C-N 3.3Å; T332-L334 PolarHBondContact O-N 3.08Å; T332-L335 PolarHBondContact O-N 2.99Å; T332-N336 VanDerWaalsContact O-CB 3.29Å; T332-N336 WeakPolarHBondContact O-CB 3.42Å; T332-N336 VanDerWaalsContact O-CG 3.29Å; T332-N336 PolarHBondContact O-N 3.2Å; T332-I351 HydrophobicContact CG2-CD1 3.57Å
333	S	80.7	Confident	76.6	Confident	75 Å²	75	53.7 Å²	53.7	52%	0.524	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-38.6	177.9	-61.6	0	0	0	0	112.3	N329 N330 L331 R337	N329-S333 VanDerWaalsContact O-CB 3.27Å; N329-S333 WeakPolarHBondContact O-CB 3.35Å; N329-S333 PolarHBondContact O-N 2.63Å; N329-S333 PolarHBondContact O-OG 3.23Å; N330-S333 PolarHBondContact O-N 2.89Å; L331-S333 VanDerWaalsContact C-N 3.35Å; L331-S333 PolarHBondContact O-N 3.31Å; S333-R337 VanDerWaalsContact O-CB 3.31Å; S333-R337 WeakPolarHBondContact O-CB 3.27Å; S333-R337 PolarHBondContact O-N 2.99Å; S333-R337 VanDerWaalsContact O-N 3.09Å
334	L	73.7	Confident	75.5	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-51.1	174.3	-70.6	174	0	0	0	111.2	F175 L178 A179 N330 L331 T332 N336 R337 F338	F175-L334 HydrophobicContact CB-CD1 3.94Å; F175-L334 HydrophobicContact CD1-CD1 3.71Å; F175-L334 HydrophobicContact CG-CD1 4.23Å; L178-L334 HydrophobicContact CD2-CD1 4.36Å; A179-L334 HydrophobicContact CB-CD2 3.64Å; N330-L334 VanDerWaalsContact O-CG 3.28Å; N330-L334 WeakPolarHBondContact O-CG 3.5Å; N330-L334 PolarHBondContact O-N 3.16Å; L331-L334 WeakPolarHBondContact O-CB 3.27Å; L331-L334 PolarHBondContact O-N 3.37Å; T332-L334 VanDerWaalsContact C-N 3.3Å; T332-L334 PolarHBondContact O-N 3.08Å; L334-N336 PolarHBondContact O-N 3.45Å; L334-R337 WeakPolarHBondContact O-CB 3.4Å; L334-R337 PolarHBondContact O-N 3.08Å; L334-F338 HydrophobicContact CD2-CE2 4.46Å; L334-F338 WeakPolarHBondContact O-CD2 3.26Å; L334-F338 PolarHBondContact O-N 3.16Å
335	L	73.3	Confident	74.5	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-41.9	-178.7	-66.4	176.7	0	0	0	112	L237 L331 T332 F338 N339 I340 F341	L237-L335 HydrophobicContact CD1-CD1 4.41Å; L331-L335 HydrophobicContact CD1-CD1 4.18Å; L331-L335 HydrophobicContact CD1-CD2 4.41Å; L331-L335 HydrophobicContact CD1-CG 4.04Å; L331-L335 HydrophobicContact CG-CD1 4.01Å; L331-L335 HydrophobicContact CG-CG 4.32Å; L331-L335 WeakPolarHBondContact O-CB 3.28Å; L331-L335 VanDerWaalsContact O-CG 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.24Å; L331-L335 PolarHBondContact O-N 3.06Å; T332-L335 PolarHBondContact O-N 2.99Å; L335-F338 CarbonylContact O-C 3.58Å; L335-F338 PolarHBondContact O-N 2.96Å; L335-N339 PolarHBondContact O-N 3.46Å; L335-I340 HydrophobicContact CB-CB 4.43Å; L335-I340 HydrophobicContact CD2-CB 4.29Å; L335-I340 HydrophobicContact CD2-CD1 3.51Å; L335-I340 HydrophobicContact CD2-CG1 4.47Å; L335-I340 HydrophobicContact CD2-CG2 4.21Å; L335-I340 PolarHBondContact O-N 3.35Å; L335-F341 HydrophobicContact CB-CD2 4.07Å; L335-F341 HydrophobicContact CB-CE2 3.35Å; L335-F341 HydrophobicContact CB-CZ 3.75Å; L335-F341 HydrophobicContact CD1-CE1 4.23Å; L335-F341 HydrophobicContact CD1-CE2 4.08Å; L335-F341 HydrophobicContact CD1-CZ 3.53Å; L335-F341 HydrophobicContact CG-CE2 4.37Å; L335-F341 HydrophobicContact CG-CZ 4.29Å
336	N	74.4	Confident	73.8	Confident	75 Å²	75	54.4 Å²	54.4	40%	0.401	27%	0.272	S	S	.	.	H	α-helix	trans	-60.6	-45	173.9	-77.7	-10.7	0	0	0	111.6	T332 L334 F338 N339 F341	T332-N336 VanDerWaalsContact O-CB 3.29Å; T332-N336 WeakPolarHBondContact O-CB 3.42Å; T332-N336 VanDerWaalsContact O-CG 3.29Å; T332-N336 PolarHBondContact O-N 3.2Å; L334-N336 PolarHBondContact O-N 3.45Å; N336-F338 PolarHBondContact O-N 2.97Å; N336-N339 PolarHBondContact O-N 3.46Å; N336-N339 PolarHBondContact O-OD1 2.92Å; N336-F341 WeakPolarHBondContact OD1-CD2 3.39Å; N336-F341 VanDerWaalsContact OD1-CE2 3.25Å; N336-F341 WeakPolarHBondContact OD1-CE2 3.37Å
337	R	68.6	Low	73.4	Confident	187 Å²	187	53.3 Å²	53.3	71%	0.706	26%	0.263	S	S	*	.	H	α-helix	trans	-60.4	-32.1	178.6	175.7	172.7	-70.7	-159.7	-1.9	112.6	S333 L334 N339	S333-R337 VanDerWaalsContact O-CB 3.31Å; S333-R337 WeakPolarHBondContact O-CB 3.27Å; S333-R337 PolarHBondContact O-N 2.99Å; S333-R337 VanDerWaalsContact O-N 3.09Å; L334-R337 WeakPolarHBondContact O-CB 3.4Å; L334-R337 PolarHBondContact O-N 3.08Å; R337-N339 VanDerWaalsContact C-N 3.33Å
338	F	67.1	Low	73.1	Confident	16 Å²	16	59.9 Å²	59.9	7%	0.07	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	8.4	177.3	-62.2	-61.7	0	0	0	113.4	L182 N208 F210 L334 L335 N336 I340	L182-F338 HydrophobicContact CB-CE1 4.37Å; L182-F338 HydrophobicContact CB-CZ 3.86Å; L182-F338 HydrophobicContact CD1-CD2 4.14Å; L182-F338 HydrophobicContact CD1-CE1 4.3Å; L182-F338 HydrophobicContact CD1-CE2 3.33Å; L182-F338 HydrophobicContact CD1-CZ 3.43Å; L182-F338 VanDerWaalsContact CD1-CZ 3.43Å; L182-F338 HydrophobicContact CG-CZ 4.29Å; N208-F338 PolarHBondContact ND2-O 3.19Å; F210-F338 HydrophobicContact CB-CD1 3.82Å; F210-F338 HydrophobicContact CB-CE1 3.92Å; F210-F338 HydrophobicContact CD1-CD1 4.06Å; F210-F338 AromaticContact CD1-CE1 3.47Å; F210-F338 HydrophobicContact CD1-CE1 3.47Å; F210-F338 VanDerWaalsContact CD1-CE1 3.47Å; F210-F338 HydrophobicContact CD1-CZ 4.48Å; F210-F338 AromaticContact CD2-CD1 3.82Å; F210-F338 HydrophobicContact CD2-CD1 3.82Å; F210-F338 HydrophobicContact CD2-CE1 4.08Å; F210-F338 AromaticContact CE1-CE1 3.96Å; F210-F338 HydrophobicContact CE1-CE1 3.96Å; F210-F338 HydrophobicContact CE2-CD1 4.42Å; F210-F338 HydrophobicContact CE2-CE1 4.5Å; F210-F338 AromaticContact CG-CD1 3.61Å; F210-F338 HydrophobicContact CG-CD1 3.61Å; F210-F338 AromaticContact CG-CE1 3.54Å; F210-F338 HydrophobicContact CG-CE1 3.54Å; F210-F338 HydrophobicContact CZ-CE1 4.45Å; L334-F338 HydrophobicContact CD2-CE2 4.46Å; L334-F338 WeakPolarHBondContact O-CD2 3.26Å; L334-F338 PolarHBondContact O-N 3.16Å; L335-F338 CarbonylContact O-C 3.58Å; L335-F338 PolarHBondContact O-N 2.96Å; N336-F338 PolarHBondContact O-N 2.97Å; F338-I340 HydrophobicContact CB-CD1 3.8Å; F338-I340 HydrophobicContact CB-CG1 3.85Å; F338-I340 PolarHBondContact O-N 3.48Å
339	N	64.2	Low	72.9	Confident	136 Å²	136	62.6 Å²	62.6	73%	0.727	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	40.4	-177.3	-65.1	-30.2	0	0	0	112.7	L335 N336 R337	L335-N339 PolarHBondContact O-N 3.46Å; N336-N339 PolarHBondContact O-N 3.46Å; N336-N339 PolarHBondContact O-OD1 2.92Å; R337-N339 VanDerWaalsContact C-N 3.33Å
340	I	65.2	Low	72.6	Confident	41 Å²	41	59 Å²	59	21%	0.21	29%	0.287	C	S	.	.			trans	-76.5	-29.1	-177	-69.7	170.2	0	0	0	111.5	L335 F338 P342	L335-I340 HydrophobicContact CB-CB 4.43Å; L335-I340 HydrophobicContact CD2-CB 4.29Å; L335-I340 HydrophobicContact CD2-CD1 3.51Å; L335-I340 HydrophobicContact CD2-CG1 4.47Å; L335-I340 HydrophobicContact CD2-CG2 4.21Å; L335-I340 PolarHBondContact O-N 3.35Å; F338-I340 HydrophobicContact CB-CD1 3.8Å; F338-I340 HydrophobicContact CB-CG1 3.85Å; F338-I340 PolarHBondContact O-N 3.48Å; I340-P342 WeakPolarHBondContact O-CD 3.43Å
341	F	64.3	Low	72.7	Confident	33 Å²	33	57.8 Å²	57.8	15%	0.145	28%	0.28	C	S	.	.	S	Bend	trans	-78.6	120.9	178.8	-61.8	-72.3	0	0	0	111.1	L237 L335 N336 A347 I351	L237-F341 HydrophobicContact CD1-CD1 4.38Å; L237-F341 HydrophobicContact CD1-CE1 3.53Å; L237-F341 HydrophobicContact CD1-CZ 4.29Å; L237-F341 HydrophobicContact CD2-CD1 3.98Å; L237-F341 HydrophobicContact CD2-CE1 3.59Å; L237-F341 HydrophobicContact CG-CE1 4.18Å; L335-F341 HydrophobicContact CB-CD2 4.07Å; L335-F341 HydrophobicContact CB-CE2 3.35Å; L335-F341 HydrophobicContact CB-CZ 3.75Å; L335-F341 HydrophobicContact CD1-CE1 4.23Å; L335-F341 HydrophobicContact CD1-CE2 4.08Å; L335-F341 HydrophobicContact CD1-CZ 3.53Å; L335-F341 HydrophobicContact CG-CE2 4.37Å; L335-F341 HydrophobicContact CG-CZ 4.29Å; N336-F341 WeakPolarHBondContact OD1-CD2 3.39Å; N336-F341 VanDerWaalsContact OD1-CE2 3.25Å; N336-F341 WeakPolarHBondContact OD1-CE2 3.37Å; F341-A347 HydrophobicContact CB-CB 4.16Å; F341-A347 HydrophobicContact CD1-CB 3.55Å; F341-A347 HydrophobicContact CE1-CB 3.98Å; F341-A347 HydrophobicContact CG-CB 3.84Å; F341-I351 HydrophobicContact CE2-CD1 4.49Å; F341-I351 HydrophobicContact CZ-CD1 3.99Å
342	P	58.5	Low	73.1	Confident	38 Å²	38	62 Å²	62	25%	0.247	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63.1	154.2	167.7	-4	15	0	0	0	111.2	F244 I340 L345	F244-P342 HydrophobicContact CB-CG 3.82Å; F244-P342 HydrophobicContact CD1-CB 3.76Å; F244-P342 HydrophobicContact CD1-CG 3.7Å; F244-P342 HydrophobicContact CE1-CB 4.42Å; F244-P342 HydrophobicContact CG-CG 4.17Å; I340-P342 WeakPolarHBondContact O-CD 3.43Å; P342-L345 HydrophobicContact CB-CG 4.11Å; P342-L345 VanDerWaalsContact CD-CD1 3.43Å; P342-L345 HydrophobicContact CG-CD1 3.67Å; P342-L345 HydrophobicContact CG-CD2 4.3Å; P342-L345 HydrophobicContact CG-CG 3.75Å
343	R	62.4	Low	73.3	Confident	242 Å²	242	61.3 Å²	61.3	91%	0.913	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	149.1	165.6	-64.2	-177.2	-177.3	170.1	0.8	109.5	L345	R343-L345 VanDerWaalsContact C-N 3.33Å; R343-L345 PolarHBondContact O-N 2.94Å
344	G	63.9	Low	73.5	Confident	26 Å²	26	57.7 Å²	57.7	27%	0.268	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-11.8	178.4	0	0	0	0	0	115.5	F346	G344-F346 WeakPolarHBondContact O-CD2 3.32Å; G344-F346 WeakPolarHBondContact O-CE2 3.25Å; G344-F346 PolarHBondContact O-N 3.22Å
345	L	67.4	Low	74.4	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-72.6	-15	175.1	-66.6	-156.2	0	0	0	114	P342 R343 A347 L551	P342-L345 HydrophobicContact CB-CG 4.11Å; P342-L345 VanDerWaalsContact CD-CD1 3.43Å; P342-L345 HydrophobicContact CG-CD1 3.67Å; P342-L345 HydrophobicContact CG-CD2 4.3Å; P342-L345 HydrophobicContact CG-CG 3.75Å; R343-L345 VanDerWaalsContact C-N 3.33Å; R343-L345 PolarHBondContact O-N 2.94Å; L345-A347 PolarHBondContact O-N 3.18Å; L345-L551 HydrophobicContact CD2-CD1 3.48Å; L345-L551 VanDerWaalsContact CD2-CD1 3.48Å; L345-L551 HydrophobicContact CD2-CD2 3.6Å; L345-L551 HydrophobicContact CD2-CG 4.13Å
346	F	74.1	Confident	75.2	Confident	59 Å²	59	63.5 Å²	63.5	26%	0.259	29%	0.293	S	S	.	.			trans	48.1	49.2	-169.1	-58.5	-88.4	0	0	0	111.5	G344 E348 K349 A350 R554 S556 P557	G344-F346 WeakPolarHBondContact O-CD2 3.32Å; G344-F346 WeakPolarHBondContact O-CE2 3.25Å; G344-F346 PolarHBondContact O-N 3.22Å; F346-E348 PolarHBondContact O-N 2.81Å; F346-K349 PolarHBondContact O-N 3.46Å; F346-A350 PolarHBondContact O-N 3.28Å; F346-R554 HydrophobicContact CE2-CB 4.05Å; F346-R554 HydrophobicContact CE2-CG 3.74Å; F346-S556 WeakPolarHBondContact CE2-O 3.1Å; F346-S556 VanDerWaalsContact CZ-C 3.48Å; F346-P557 HydrophobicContact CB-CB 3.71Å; F346-P557 HydrophobicContact CD1-CB 4.2Å; F346-P557 HydrophobicContact CD1-CG 4.3Å; F346-P557 HydrophobicContact CD2-CB 4.2Å; F346-P557 HydrophobicContact CG-CB 3.78Å; F346-P557 HydrophobicContact CG-CG 4.37Å
347	A	77	Confident	75.9	Confident	7 Å²	7	60.8 Å²	60.8	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-53.6	-33.9	-170.8	0	0	0	0	0	112.4	F341 L345 K349 A350 I351	F341-A347 HydrophobicContact CB-CB 4.16Å; F341-A347 HydrophobicContact CD1-CB 3.55Å; F341-A347 HydrophobicContact CE1-CB 3.98Å; F341-A347 HydrophobicContact CG-CB 3.84Å; L345-A347 PolarHBondContact O-N 3.18Å; A347-K349 VanDerWaalsContact C-N 3.31Å; A347-K349 PolarHBondContact O-N 3.21Å; A347-A350 PolarHBondContact O-N 2.93Å; A347-I351 HydrophobicContact CB-CD1 4.44Å; A347-I351 WeakPolarHBondContact O-CB 3.44Å; A347-I351 VanDerWaalsContact O-CD1 3.29Å; A347-I351 WeakPolarHBondContact O-CD1 3.43Å; A347-I351 WeakPolarHBondContact O-CG1 3.35Å; A347-I351 PolarHBondContact O-N 2.74Å
348	E	81.4	Confident	77	Confident	139 Å²	139	52 Å²	52	65%	0.65	24%	0.244	S	C	*	.	H	α-helix	trans	-57.1	-43.1	176.5	-63.5	75.4	-165	0	0	112	F346 I351 E352	F346-E348 PolarHBondContact O-N 2.81Å; E348-I351 PolarHBondContact O-N 2.97Å; E348-E352 PolarHBondContact O-N 3.36Å
349	K	82.9	Confident	78.1	Confident	58 Å²	58	56.7 Å²	56.7	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-70	-45.1	177.8	-170.6	67.5	-167.7	168.9	0	110.6	F346 A347 I351 E352 V353 P557	F346-K349 PolarHBondContact O-N 3.46Å; A347-K349 VanDerWaalsContact C-N 3.31Å; A347-K349 PolarHBondContact O-N 3.21Å; K349-I351 VanDerWaalsContact C-N 3.26Å; K349-I351 PolarHBondContact O-N 3.1Å; K349-E352 WeakPolarHBondContact CD-OE2 3.37Å; K349-E352 IonicContact NZ-OE1 3.26Å; K349-E352 IonicContact NZ-OE2 3.77Å; K349-E352 PolarHBondContact NZ-OE2 3.35Å; K349-E352 WeakPolarHBondContact O-CB 3.22Å; K349-E352 PolarHBondContact O-N 2.71Å; K349-E352 VanDerWaalsContact O-N 3.09Å; K349-V353 WeakPolarHBondContact O-CG2 3.42Å; K349-V353 PolarHBondContact O-N 2.86Å; K349-P557 HydrophobicContact CB-CB 4.06Å; K349-P557 HydrophobicContact CG-CB 4.06Å; K349-P557 HydrophobicContact CG-CG 4.44Å
350	A	80.8	Confident	79.4	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-39.3	175.7	0	0	0	0	0	112.1	F346 A347 V353 A354 Y563	F346-A350 PolarHBondContact O-N 3.28Å; A347-A350 PolarHBondContact O-N 2.93Å; A350-V353 PolarHBondContact O-N 3.16Å; A350-A354 WeakPolarHBondContact O-CB 3.42Å; A350-A354 PolarHBondContact O-N 2.88Å; A350-Y563 HydrophobicContact CB-CE1 4.06Å
351	I	85.5	Confident	80.7	Confident	10 Å²	10	50.7 Å²	50.7	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-40.5	175.4	-71	159.6	0	0	0	111.3	L233 I328 T332 F341 A347 E348 K349 A354 R355	L233-I351 HydrophobicContact CD2-CB 4.26Å; L233-I351 HydrophobicContact CD2-CG1 3.75Å; L233-I351 HydrophobicContact CD2-CG2 4.41Å; I328-I351 HydrophobicContact CG2-CG2 3.46Å; I328-I351 VanDerWaalsContact CG2-CG2 3.46Å; T332-I351 HydrophobicContact CG2-CD1 3.57Å; F341-I351 HydrophobicContact CE2-CD1 4.49Å; F341-I351 HydrophobicContact CZ-CD1 3.99Å; A347-I351 HydrophobicContact CB-CD1 4.44Å; A347-I351 WeakPolarHBondContact O-CB 3.44Å; A347-I351 VanDerWaalsContact O-CD1 3.29Å; A347-I351 WeakPolarHBondContact O-CD1 3.43Å; A347-I351 WeakPolarHBondContact O-CG1 3.35Å; A347-I351 PolarHBondContact O-N 2.74Å; E348-I351 PolarHBondContact O-N 2.97Å; K349-I351 VanDerWaalsContact C-N 3.26Å; K349-I351 PolarHBondContact O-N 3.1Å; I351-A354 PolarHBondContact O-N 2.82Å; I351-R355 WeakPolarHBondContact O-CB 3.49Å; I351-R355 PolarHBondContact O-N 3.04Å
352	E	88.2	Confident	82.1	Confident	95 Å²	95	49.6 Å²	49.6	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-45.5	174.8	-168.6	-168	179	0	0	111.6	E348 K349 R355 K356	E348-E352 PolarHBondContact O-N 3.36Å; K349-E352 WeakPolarHBondContact CD-OE2 3.37Å; K349-E352 IonicContact NZ-OE1 3.26Å; K349-E352 IonicContact NZ-OE2 3.77Å; K349-E352 PolarHBondContact NZ-OE2 3.35Å; K349-E352 WeakPolarHBondContact O-CB 3.22Å; K349-E352 PolarHBondContact O-N 2.71Å; K349-E352 VanDerWaalsContact O-N 3.09Å; E352-R355 WeakPolarHBondContact O-CB 3.21Å; E352-R355 PolarHBondContact O-N 3.32Å; E352-K356 PolarHBondContact O-N 2.73Å
353	V	85.6	Confident	83.8	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-45.9	175.6	-179.7	0	0	0	0	110.8	M236 K349 A350 R355 K356 E357 E560 Y563	M236-V353 HydrophobicContact CE-CG1 4Å; M236-V353 HydrophobicContact SD-CG1 4.4Å; K349-V353 WeakPolarHBondContact O-CG2 3.42Å; K349-V353 PolarHBondContact O-N 2.86Å; A350-V353 PolarHBondContact O-N 3.16Å; V353-R355 VanDerWaalsContact C-N 3.25Å; V353-R355 PolarHBondContact O-N 2.96Å; V353-K356 PolarHBondContact O-N 3.24Å; V353-K356 VanDerWaalsContact O-N 3.14Å; V353-E357 HydrophobicContact CG1-CG 4.35Å; V353-E357 PolarHBondContact O-N 3.41Å; V353-E560 HydrophobicContact CG1-CG 4.44Å; V353-E560 HydrophobicContact CG2-CG 3.75Å; V353-Y563 HydrophobicContact CG2-CD2 4.19Å; V353-Y563 HydrophobicContact CG2-CE2 4.29Å
354	A	85.9	Confident	85.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.1	-43	175.4	0	0	0	0	0	111.8	K232 L233 M236 A350 I351 L358	K232-A354 HydrophobicContact CG-CB 4.35Å; L233-A354 HydrophobicContact CD2-CB 3.57Å; L233-A354 HydrophobicContact CG-CB 4.33Å; M236-A354 HydrophobicContact CB-CB 4.26Å; M236-A354 HydrophobicContact CG-CB 3.71Å; A350-A354 WeakPolarHBondContact O-CB 3.42Å; A350-A354 PolarHBondContact O-N 2.88Å; I351-A354 PolarHBondContact O-N 2.82Å; A354-L358 VanDerWaalsContact O-CB 3.25Å; A354-L358 WeakPolarHBondContact O-CB 3.43Å; A354-L358 PolarHBondContact O-N 2.95Å
355	R	91	Very high	87.1	Confident	45 Å²	45	42.3 Å²	42.3	17%	0.17	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-44.1	178.1	-175.1	-170.6	-75.4	110.9	-1	111.7	I324 D325 I328 N329 I351 E352 V353 R359	I324-R355 HydrophobicContact CG2-CG 4.16Å; D325-R355 WeakPolarHBondContact OD1-CD 3.48Å; D325-R355 IonicContact OD1-NE 2.76Å; D325-R355 PolarHBondContact OD1-NE 3.19Å; D325-R355 VanDerWaalsContact OD1-NE 3.14Å; I328-R355 VanDerWaalsContact CD1-CA 3.42Å; I328-R355 HydrophobicContact CD1-CB 3.54Å; I328-R355 HydrophobicContact CD1-CG 3.88Å; N329-R355 PolarHBondContact OD1-NH2 3.23Å; I351-R355 WeakPolarHBondContact O-CB 3.49Å; I351-R355 PolarHBondContact O-N 3.04Å; E352-R355 WeakPolarHBondContact O-CB 3.21Å; E352-R355 PolarHBondContact O-N 3.32Å; V353-R355 VanDerWaalsContact C-N 3.25Å; V353-R355 PolarHBondContact O-N 2.96Å; R355-R359 WeakPolarHBondContact O-CG 3.36Å; R355-R359 PolarHBondContact O-N 3.47Å
356	K	91.1	Very high	88.5	Confident	114 Å²	114	44.9 Å²	44.9	50%	0.496	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-48.4	177.9	-175.1	179.1	174.8	-175.3	0	111.4	E352 V353 L358 R359 A360 E560	E352-K356 PolarHBondContact O-N 2.73Å; V353-K356 PolarHBondContact O-N 3.24Å; V353-K356 VanDerWaalsContact O-N 3.14Å; K356-L358 PolarHBondContact O-N 3.47Å; K356-R359 PolarHBondContact O-N 2.88Å; K356-A360 PolarHBondContact O-N 3.42Å; K356-A360 VanDerWaalsContact O-N 3.12Å; K356-E560 WeakPolarHBondContact CD-OE1 3.42Å; K356-E560 IonicContact NZ-OE1 3.96Å; K356-E560 PolarHBondContact NZ-OE1 3.39Å; K356-E560 IonicContact NZ-OE2 3.23Å
357	E	89.7	Confident	89.6	Confident	19 Å²	19	42.5 Å²	42.5	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-41.6	178.1	-71.4	-165	-179.5	0	0	111.8	K232 M236 V353 R359 A360 E361 S564 R567	K232-E357 WeakPolarHBondContact CE-OE2 3.42Å; K232-E357 IonicContact NZ-OE2 3.04Å; K232-E357 PolarHBondContact NZ-OE2 3.36Å; M236-E357 HydrophobicContact CE-CB 4.49Å; M236-E357 HydrophobicContact CE-CG 4.08Å; M236-E357 WeakPolarHBondContact CE-OE1 3.38Å; M236-E357 WeakPolarHBondContact CE-OE2 3.39Å; V353-E357 HydrophobicContact CG1-CG 4.35Å; V353-E357 PolarHBondContact O-N 3.41Å; E357-R359 VanDerWaalsContact C-N 3.28Å; E357-R359 PolarHBondContact O-N 3.14Å; E357-A360 PolarHBondContact O-N 3.35Å; E357-E361 PolarHBondContact O-N 3.3Å; E357-S564 PolarHBondContact OE1-OG 2.98Å; E357-R567 IonicContact OE1-NH1 3.46Å; E357-R567 IonicContact OE1-NH2 3.69Å; E357-R567 PolarHBondContact OE1-NH2 3.47Å; E357-R567 IonicContact OE2-CZ 2.85Å; E357-R567 IonicContact OE2-NH1 3.25Å; E357-R567 PolarHBondContact OE2-NH1 3.45Å; E357-R567 VanDerWaalsContact OE2-NH1 3.14Å; E357-R567 IonicContact OE2-NH2 3.99Å; E357-R567 PolarHBondContact OE2-NH2 2.85Å; E357-R567 VanDerWaalsContact OE2-NH2 3.17Å
358	L	89.8	Confident	90.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-33.8	178.8	-171.5	58.8	0	0	0	112.8	A229 K232 I297 I324 I328 A354 K356 C362	A229-L358 HydrophobicContact CB-CD2 4.02Å; K232-L358 HydrophobicContact CB-CD1 4.27Å; K232-L358 HydrophobicContact CB-CD2 4.5Å; K232-L358 HydrophobicContact CG-CB 4.21Å; I297-L358 HydrophobicContact CG2-CD1 3.49Å; I297-L358 VanDerWaalsContact CG2-CD1 3.49Å; I324-L358 HydrophobicContact CD1-CG 4.16Å; I324-L358 HydrophobicContact CG1-CD2 4.07Å; I324-L358 HydrophobicContact CG1-CG 4.08Å; I324-L358 HydrophobicContact CG2-CB 4.45Å; I324-L358 HydrophobicContact CG2-CD2 4.05Å; I324-L358 HydrophobicContact CG2-CG 4.39Å; I328-L358 HydrophobicContact CD1-CD2 4.41Å; A354-L358 VanDerWaalsContact O-CB 3.25Å; A354-L358 WeakPolarHBondContact O-CB 3.43Å; A354-L358 PolarHBondContact O-N 2.95Å; K356-L358 PolarHBondContact O-N 3.47Å; L358-C362 PolarHBondContact O-N 2.91Å; L358-C362 PolarHBondContact O-SG 3.21Å
359	R	92.1	Very high	91.4	Very high	115 Å²	115	38.3 Å²	38.3	43%	0.434	19%	0.194	S	C	.	.	H	α-helix	trans	-66.3	-44.3	173.4	-75.3	-175.4	-172.2	123.9	-10.1	111.5	I324 D325 R355 K356 E357 C362	I324-R359 HydrophobicContact CD1-CB 4.29Å; I324-R359 HydrophobicContact CD1-CG 3.67Å; I324-R359 HydrophobicContact CG2-CG 4.18Å; D325-R359 IonicContact OD1-CZ 3.74Å; D325-R359 IonicContact OD1-NH2 2.73Å; D325-R359 PolarHBondContact OD1-NH2 3.5Å; D325-R359 IonicContact OD2-CZ 3.38Å; D325-R359 IonicContact OD2-NE 2.8Å; D325-R359 IonicContact OD2-NH2 3.41Å; D325-R359 PolarHBondContact OD2-NH2 2.97Å; R355-R359 WeakPolarHBondContact O-CG 3.36Å; R355-R359 PolarHBondContact O-N 3.47Å; K356-R359 PolarHBondContact O-N 2.88Å; E357-R359 VanDerWaalsContact C-N 3.28Å; E357-R359 PolarHBondContact O-N 3.14Å; R359-C362 PolarHBondContact O-N 3.3Å
360	A	91.4	Very high	92.1	Very high	36 Å²	36	37 Å²	37	30%	0.298	19%	0.188	S	C	.	.	H	α-helix	trans	-61.9	-44.6	176.7	0	0	0	0	0	111.4	K356 E357 C362 D363 L366	K356-A360 PolarHBondContact O-N 3.42Å; K356-A360 VanDerWaalsContact O-N 3.12Å; E357-A360 PolarHBondContact O-N 3.35Å; A360-C362 PolarHBondContact O-N 3.23Å; A360-D363 PolarHBondContact O-N 3.05Å; A360-D363 VanDerWaalsContact O-N 3.08Å; A360-L366 HydrophobicContact CB-CD2 4.02Å
361	E	91.7	Very high	92.9	Very high	15 Å²	15	37 Å²	37	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-32.8	176.4	-77.6	-178.8	-153.8	0	0	112.5	K232 S296 I297 E357 D363 Y364 G465	K232-E361 WeakPolarHBondContact CE-OE1 3.37Å; K232-E361 IonicContact NZ-OE1 3.84Å; K232-E361 PolarHBondContact NZ-OE1 3.34Å; S296-E361 PolarHBondContact OG-OE2 2.78Å; I297-E361 HydrophobicContact CD1-CB 3.71Å; I297-E361 WeakPolarHBondContact CD1-O 3.48Å; E357-E361 PolarHBondContact O-N 3.3Å; E361-D363 PolarHBondContact O-N 2.9Å; E361-Y364 WeakPolarHBondContact O-CD1 3.37Å; E361-Y364 WeakPolarHBondContact O-CE1 3.25Å; E361-G465 WeakPolarHBondContact CG-O 3.36Å
362	C	93.3	Very high	93.5	Very high	10 Å²	10	40 Å²	40	7%	0.068	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4	179.3	-70.1	0	0	0	0	114.3	Q316 A321 I324 L358 R359 A360	Q316-C362 PolarHBondContact NE2-O 3.44Å; A321-C362 HydrophobicContact CB-CB 3.94Å; I324-C362 HydrophobicContact CD1-CB 4.33Å; L358-C362 PolarHBondContact O-N 2.91Å; L358-C362 PolarHBondContact O-SG 3.21Å; R359-C362 PolarHBondContact O-N 3.3Å; A360-C362 PolarHBondContact O-N 3.23Å
363	D	95.5	Very high	94	Very high	64 Å²	64	39.2 Å²	39.2	34%	0.342	19%	0.193	S	C	.	.			trans	-102.7	97.9	173	-172.8	-6.2	0	0	0	110.2	A360 E361 L365 L366 E367	A360-D363 PolarHBondContact O-N 3.05Å; A360-D363 VanDerWaalsContact O-N 3.08Å; E361-D363 PolarHBondContact O-N 2.9Å; D363-L365 VanDerWaalsContact C-N 3.26Å; D363-L365 PolarHBondContact O-N 2.99Å; D363-L365 WeakPolarHBondContact OD1-CB 3.26Å; D363-L365 PolarHBondContact OD1-N 3.26Å; D363-L365 VanDerWaalsContact OD1-N 3.08Å; D363-L366 HydrophobicContact CB-CB 4.05Å; D363-L366 WeakPolarHBondContact O-CB 3.13Å; D363-L366 PolarHBondContact O-N 3.23Å; D363-L366 VanDerWaalsContact O-N 3.16Å; D363-L366 PolarHBondContact OD1-N 3.09Å; D363-E367 PolarHBondContact O-N 3.25Å
364	Y	97.6	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-73.4	-15.7	-178.6	-74.9	-2.4	0	0	0	114.1	I297 K314 Q316 E361 L366 A368 T395 S396 R397 L399	I297-Y364 HydrophobicContact CD1-CE1 3.64Å; I297-Y364 HydrophobicContact CG1-CE1 4.44Å; K314-Y364 HydrophobicContact CD-CE2 4.5Å; K314-Y364 HydrophobicContact CG-CE2 3.92Å; K314-Y364 WeakPolarHBondContact O-CE2 3.32Å; Q316-Y364 HydrophobicContact CB-CE2 3.96Å; E361-Y364 WeakPolarHBondContact O-CD1 3.37Å; E361-Y364 WeakPolarHBondContact O-CE1 3.25Å; Y364-L366 VanDerWaalsContact C-N 3.34Å; Y364-A368 WeakPolarHBondContact O-CB 3.49Å; Y364-A368 PolarHBondContact O-N 3.23Å; Y364-T395 WeakPolarHBondContact CB-O 3.36Å; Y364-S396 PolarHBondContact N-O 2.87Å; Y364-S396 VanDerWaalsContact N-O 3.08Å; Y364-R397 WeakPolarHBondContact CD2-O 3.14Å; Y364-R397 WeakPolarHBondContact CE2-O 3.49Å; Y364-L399 HydrophobicContact CD2-CB 3.93Å; Y364-L399 HydrophobicContact CG-CB 4.08Å
365	L	97.7	Very high	95.1	Very high	90 Å²	90	40.6 Å²	40.6	47%	0.471	20%	0.202	S	C	.	.	H	α-helix	trans	-71.5	-34.9	169.3	-65.9	172.3	0	0	0	110.8	D363 A368 A369 T394	D363-L365 VanDerWaalsContact C-N 3.26Å; D363-L365 PolarHBondContact O-N 2.99Å; D363-L365 WeakPolarHBondContact OD1-CB 3.26Å; D363-L365 PolarHBondContact OD1-N 3.26Å; D363-L365 VanDerWaalsContact OD1-N 3.08Å; L365-A368 PolarHBondContact O-N 2.69Å; L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 2.84Å; L365-T394 HydrophobicContact CD2-CG2 4.19Å
366	L	96.7	Very high	95.4	Very high	60 Å²	60	45.2 Å²	45.2	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-66.2	-45	173.4	-177	64	0	0	0	111.1	A360 D363 Y364 A368 A369 Y370	A360-L366 HydrophobicContact CB-CD2 4.02Å; D363-L366 HydrophobicContact CB-CB 4.05Å; D363-L366 WeakPolarHBondContact O-CB 3.13Å; D363-L366 PolarHBondContact O-N 3.23Å; D363-L366 VanDerWaalsContact O-N 3.16Å; D363-L366 PolarHBondContact OD1-N 3.09Å; Y364-L366 VanDerWaalsContact C-N 3.34Å; L366-A368 VanDerWaalsContact C-N 3.34Å; L366-A368 PolarHBondContact O-N 2.83Å; L366-A369 PolarHBondContact O-N 2.74Å; L366-Y370 HydrophobicContact CD1-CD2 4.13Å; L366-Y370 HydrophobicContact CD1-CE2 3.64Å; L366-Y370 HydrophobicContact CD2-CE2 4.21Å; L366-Y370 HydrophobicContact CG-CD2 3.99Å; L366-Y370 HydrophobicContact CG-CE2 3.69Å; L366-Y370 VanDerWaalsContact O-CD2 3.3Å; L366-Y370 WeakPolarHBondContact O-CD2 3.32Å; L366-Y370 PolarHBondContact O-N 3.43Å
367	E	96.8	Very high	95.7	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-44	174.5	-177.1	170.4	164.2	0	0	111.6	K314 D363 A369 Y370 G371 L399 F464	K314-E367 IonicContact NZ-OE1 3.39Å; K314-E367 PolarHBondContact NZ-OE1 2.91Å; K314-E367 IonicContact NZ-OE2 2.74Å; K314-E367 PolarHBondContact NZ-OE2 2.81Å; D363-E367 PolarHBondContact O-N 3.25Å; E367-A369 PolarHBondContact O-N 2.91Å; E367-Y370 PolarHBondContact O-N 3.07Å; E367-G371 PolarHBondContact O-N 3.47Å; E367-L399 HydrophobicContact CB-CD2 4.26Å; E367-L399 VanDerWaalsContact CD-CD2 3.46Å; E367-L399 HydrophobicContact CG-CD2 3.64Å; E367-L399 WeakPolarHBondContact OE1-CD2 3.42Å; E367-F464 HydrophobicContact CG-CB 4.09Å
368	A	98.3	Very high	96	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-44	174.4	0	0	0	0	0	112.8	Y364 L365 L366 G371 K372 V389 T394 L399	Y364-A368 WeakPolarHBondContact O-CB 3.49Å; Y364-A368 PolarHBondContact O-N 3.23Å; L365-A368 PolarHBondContact O-N 2.69Å; L366-A368 VanDerWaalsContact C-N 3.34Å; L366-A368 PolarHBondContact O-N 2.83Å; A368-G371 PolarHBondContact O-N 3.14Å; A368-K372 WeakPolarHBondContact O-CG 3.34Å; A368-K372 PolarHBondContact O-N 2.92Å; A368-V389 HydrophobicContact CB-CG1 3.98Å; A368-V389 HydrophobicContact CB-CG2 4.32Å; A368-T394 HydrophobicContact CB-CG2 3.97Å; A368-L399 HydrophobicContact CB-CD1 3.79Å
369	A	98	Very high	96.1	Very high	54 Å²	54	49.5 Å²	49.5	45%	0.446	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-42.5	178.5	0	0	0	0	0	111.6	L365 L366 E367 K372 R373	L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 2.84Å; L366-A369 PolarHBondContact O-N 2.74Å; E367-A369 PolarHBondContact O-N 2.91Å; A369-K372 PolarHBondContact O-N 3.43Å; A369-R373 WeakPolarHBondContact O-CB 3.33Å; A369-R373 PolarHBondContact O-N 2.74Å
370	Y	98.1	Very high	95.9	Very high	30 Å²	30	51.7 Å²	51.7	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-45.8	173.1	-78.1	-58.5	0	0	0	111.9	L366 E367 K372 R373 F374 V440 S467 E469	L366-Y370 HydrophobicContact CD1-CD2 4.13Å; L366-Y370 HydrophobicContact CD1-CE2 3.64Å; L366-Y370 HydrophobicContact CD2-CE2 4.21Å; L366-Y370 HydrophobicContact CG-CD2 3.99Å; L366-Y370 HydrophobicContact CG-CE2 3.69Å; L366-Y370 VanDerWaalsContact O-CD2 3.3Å; L366-Y370 WeakPolarHBondContact O-CD2 3.32Å; L366-Y370 PolarHBondContact O-N 3.43Å; E367-Y370 PolarHBondContact O-N 3.07Å; Y370-K372 VanDerWaalsContact C-N 3.33Å; Y370-K372 PolarHBondContact O-N 3.26Å; Y370-R373 WeakPolarHBondContact O-CB 3.27Å; Y370-R373 PolarHBondContact O-N 2.75Å; Y370-R373 VanDerWaalsContact O-N 3.12Å; Y370-F374 WeakPolarHBondContact O-CD2 3.26Å; Y370-F374 PolarHBondContact O-N 2.73Å; Y370-V440 HydrophobicContact CD1-CG2 3.9Å; Y370-V440 HydrophobicContact CE1-CG2 3.73Å; Y370-S467 VanDerWaalsContact CG-CB 3.48Å; Y370-E469 HydrophobicContact CE1-CG 4.18Å
371	G	97.5	Very high	95.9	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-53.8	-48.8	176	0	0	0	0	0	112.2	E367 A368 R373 F374 T375	E367-G371 PolarHBondContact O-N 3.47Å; A368-G371 PolarHBondContact O-N 3.14Å; G371-R373 PolarHBondContact O-N 3.26Å; G371-F374 PolarHBondContact O-N 3.29Å; G371-T375 PolarHBondContact O-N 2.75Å; G371-T375 PolarHBondContact O-OG1 3.04Å; G371-T375 VanDerWaalsContact O-OG1 3.1Å
372	K	98.3	Very high	95.9	Very high	75 Å²	75	52.6 Å²	52.6	33%	0.326	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-41.1	176.3	-69.9	177.9	-179.1	-174.5	0	113.3	A368 A369 Y370 F374 T375 Q376 V389 D391	A368-K372 WeakPolarHBondContact O-CG 3.34Å; A368-K372 PolarHBondContact O-N 2.92Å; A369-K372 PolarHBondContact O-N 3.43Å; Y370-K372 VanDerWaalsContact C-N 3.33Å; Y370-K372 PolarHBondContact O-N 3.26Å; K372-F374 VanDerWaalsContact C-N 3.33Å; K372-T375 WeakPolarHBondContact O-CB 3.48Å; K372-T375 PolarHBondContact O-N 3.2Å; K372-Q376 PolarHBondContact O-N 2.75Å; K372-Q376 VanDerWaalsContact O-N 3.13Å; K372-V389 HydrophobicContact CG-CB 4.37Å; K372-V389 HydrophobicContact CG-CG2 4.14Å; K372-D391 VanDerWaalsContact CE-OD1 3.29Å; K372-D391 WeakPolarHBondContact CE-OD1 3.24Å; K372-D391 IonicContact NZ-OD1 3.41Å; K372-D391 PolarHBondContact NZ-OD1 3.18Å; K372-D391 IonicContact NZ-OD2 2.76Å; K372-D391 PolarHBondContact NZ-OD2 3.12Å
373	R	98	Very high	95.9	Very high	77 Å²	77	52.1 Å²	52.1	29%	0.291	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-43.4	175.8	-178.3	176.4	174.6	176.4	-4.2	110.8	A369 Y370 G371 Q376 L377 E469	A369-R373 WeakPolarHBondContact O-CB 3.33Å; A369-R373 PolarHBondContact O-N 2.74Å; Y370-R373 WeakPolarHBondContact O-CB 3.27Å; Y370-R373 PolarHBondContact O-N 2.75Å; Y370-R373 VanDerWaalsContact O-N 3.12Å; G371-R373 PolarHBondContact O-N 3.26Å; R373-Q376 PolarHBondContact O-N 3.18Å; R373-L377 HydrophobicContact CG-CD1 3.91Å; R373-L377 HydrophobicContact CG-CG 4.4Å; R373-L377 VanDerWaalsContact O-CG 3.28Å; R373-L377 WeakPolarHBondContact O-CG 3.45Å; R373-L377 PolarHBondContact O-N 2.92Å; R373-E469 IonicContact NH1-OE1 3.8Å; R373-E469 PolarHBondContact NH1-OE1 2.66Å; R373-E469 IonicContact NH1-OE2 2.7Å
374	F	98	Very high	95.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-36.5	175.7	-88.8	-82.9	0	0	0	112.6	Y370 G371 K372 Q376 L377 L378 V386 E434 F438 V440 Q442 F464	Y370-F374 WeakPolarHBondContact O-CD2 3.26Å; Y370-F374 PolarHBondContact O-N 2.73Å; G371-F374 PolarHBondContact O-N 3.29Å; K372-F374 VanDerWaalsContact C-N 3.33Å; F374-Q376 VanDerWaalsContact C-N 3.3Å; F374-Q376 PolarHBondContact O-N 3Å; F374-L377 PolarHBondContact O-N 3.14Å; F374-L378 HydrophobicContact CD1-CD1 4.14Å; F374-L378 VanDerWaalsContact O-CB 3.3Å; F374-L378 WeakPolarHBondContact O-CB 3.13Å; F374-L378 WeakPolarHBondContact O-CG 3.13Å; F374-L378 PolarHBondContact O-N 3.17Å; F374-V386 HydrophobicContact CB-CG2 4.14Å; F374-E434 HydrophobicContact CE1-CG 3.94Å; F374-E434 WeakPolarHBondContact CE1-OE1 3.29Å; F374-E434 HydrophobicContact CZ-CG 4.3Å; F374-F438 HydrophobicContact CE1-CD2 4.47Å; F374-V440 HydrophobicContact CE2-CG1 4.41Å; F374-V440 HydrophobicContact CE2-CG2 4.1Å; F374-V440 HydrophobicContact CZ-CG1 4.31Å; F374-V440 HydrophobicContact CZ-CG2 4.43Å; F374-Q442 HydrophobicContact CZ-CB 4.45Å; F374-F464 HydrophobicContact CB-CD1 4.36Å; F374-F464 HydrophobicContact CB-CE1 3.68Å; F374-F464 HydrophobicContact CB-CZ 4.07Å; F374-F464 HydrophobicContact CD1-CE1 4.15Å; F374-F464 AromaticContact CD2-CD1 3.5Å; F374-F464 HydrophobicContact CD2-CD1 3.5Å; F374-F464 AromaticContact CD2-CE1 3.55Å; F374-F464 HydrophobicContact CD2-CE1 3.55Å; F374-F464 AromaticContact CE2-CD1 3.96Å; F374-F464 HydrophobicContact CE2-CD1 3.96Å; F374-F464 HydrophobicContact CE2-CE1 4.2Å; F374-F464 HydrophobicContact CG-CD1 4Å; F374-F464 AromaticContact CG-CE1 3.52Å; F374-F464 HydrophobicContact CG-CE1 3.52Å; F374-F464 HydrophobicContact CG-CZ 4.38Å
375	T	97.2	Very high	95.8	Very high	32 Å²	32	52 Å²	52	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-45.5	171.2	-59.3	0	0	0	0	111.4	G371 K372 E379 V386	G371-T375 PolarHBondContact O-N 2.75Å; G371-T375 PolarHBondContact O-OG1 3.04Å; G371-T375 VanDerWaalsContact O-OG1 3.1Å; K372-T375 WeakPolarHBondContact O-CB 3.48Å; K372-T375 PolarHBondContact O-N 3.2Å; T375-E379 WeakPolarHBondContact O-CA 3.47Å; T375-E379 PolarHBondContact O-N 3.43Å; T375-V386 WeakPolarHBondContact OG1-CG1 3.27Å
376	Q	97	Very high	95.8	Very high	141 Å²	141	48.1 Å²	48.1	66%	0.659	25%	0.247	S	C	*	.	H	α-helix	trans	-68.3	-44.3	178.3	-67.2	171.5	-7.7	0	0	112.2	K372 R373 F374 L378 E379	K372-Q376 PolarHBondContact O-N 2.75Å; K372-Q376 VanDerWaalsContact O-N 3.13Å; R373-Q376 PolarHBondContact O-N 3.18Å; F374-Q376 VanDerWaalsContact C-N 3.3Å; F374-Q376 PolarHBondContact O-N 3Å; Q376-L378 PolarHBondContact O-N 3.07Å; Q376-E379 PolarHBondContact O-N 3.11Å
377	L	96.4	Very high	95.8	Very high	62 Å²	62	45.6 Å²	45.6	33%	0.325	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-23.5	-179.9	-70	168.8	0	0	0	113.4	R373 F374 F438 V440	R373-L377 HydrophobicContact CG-CD1 3.91Å; R373-L377 HydrophobicContact CG-CG 4.4Å; R373-L377 VanDerWaalsContact O-CG 3.28Å; R373-L377 WeakPolarHBondContact O-CG 3.45Å; R373-L377 PolarHBondContact O-N 2.92Å; F374-L377 PolarHBondContact O-N 3.14Å; L377-F438 HydrophobicContact CB-CD1 4.35Å; L377-F438 HydrophobicContact CB-CD2 4.44Å; L377-F438 HydrophobicContact CB-CE1 4.21Å; L377-F438 HydrophobicContact CB-CE2 4.31Å; L377-F438 HydrophobicContact CB-CG 4.47Å; L377-F438 HydrophobicContact CB-CZ 4.18Å; L377-F438 HydrophobicContact CD1-CB 3.91Å; L377-F438 HydrophobicContact CD1-CD1 4.38Å; L377-F438 HydrophobicContact CD1-CD2 4.15Å; L377-F438 HydrophobicContact CD1-CG 3.92Å; L377-F438 HydrophobicContact CD2-CB 4.49Å; L377-F438 HydrophobicContact CD2-CD1 3.87Å; L377-F438 HydrophobicContact CD2-CE1 4.32Å; L377-F438 HydrophobicContact CD2-CG 4.24Å; L377-F438 HydrophobicContact CG-CD1 4.44Å; L377-F438 HydrophobicContact CG-CG 4.45Å; L377-V440 HydrophobicContact CD1-CG1 3.74Å
378	L	96.1	Very high	95.8	Very high	7 Å²	7	50 Å²	50	4%	0.037	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	10.5	-176.8	-62.8	170.3	0	0	0	113.2	F374 Q376 D380 D381 F384 V386 L430 F438 L461	F374-L378 HydrophobicContact CD1-CD1 4.14Å; F374-L378 VanDerWaalsContact O-CB 3.3Å; F374-L378 WeakPolarHBondContact O-CB 3.13Å; F374-L378 WeakPolarHBondContact O-CG 3.13Å; F374-L378 PolarHBondContact O-N 3.17Å; Q376-L378 PolarHBondContact O-N 3.07Å; L378-D380 VanDerWaalsContact C-N 3.32Å; L378-D380 PolarHBondContact O-N 2.88Å; L378-D381 HydrophobicContact CB-CB 4.34Å; L378-D381 HydrophobicContact CD2-CB 4.05Å; L378-D381 PolarHBondContact O-N 3.28Å; L378-F384 HydrophobicContact CD1-CB 3.95Å; L378-F384 HydrophobicContact CD2-CB 4.3Å; L378-F384 HydrophobicContact CD2-CD2 4.1Å; L378-F384 HydrophobicContact CG-CB 4.5Å; L378-V386 HydrophobicContact CD1-CG2 4.04Å; L378-L430 HydrophobicContact CD1-CD1 4.42Å; L378-L430 HydrophobicContact CD2-CD1 4.08Å; L378-F438 HydrophobicContact CD2-CE2 4.02Å; L378-F438 HydrophobicContact CD2-CZ 3.98Å; L378-L461 HydrophobicContact CD1-CD1 3.56Å
379	E	91.7	Very high	95.8	Very high	156 Å²	156	50.7 Å²	50.7	73%	0.729	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-44.6	-175.1	-173.5	171	-170.8	0	0	112.4	T375 Q376	T375-E379 WeakPolarHBondContact O-CA 3.47Å; T375-E379 PolarHBondContact O-N 3.43Å; Q376-E379 PolarHBondContact O-N 3.11Å
380	D	88.4	Confident	95.8	Very high	160 Å²	160	48.6 Å²	48.6	86%	0.856	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	1.3	178.4	-66.9	-43.5	0	0	0	113.8	L378 P382	L378-D380 VanDerWaalsContact C-N 3.32Å; L378-D380 PolarHBondContact O-N 2.88Å; D380-P382 WeakPolarHBondContact O-CD 3.35Å
381	D	92	Very high	95.8	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.064	26%	0.257	C	S	.	.			trans	-82.8	116.8	-178.7	-163	-63.2	0	0	0	110.1	L378 V383 F384 R429 K433	L378-D381 HydrophobicContact CB-CB 4.34Å; L378-D381 HydrophobicContact CD2-CB 4.05Å; L378-D381 PolarHBondContact O-N 3.28Å; D381-V383 PolarHBondContact O-N 3.42Å; D381-V383 WeakPolarHBondContact OD1-CB 3.41Å; D381-V383 PolarHBondContact OD1-N 2.93Å; D381-F384 PolarHBondContact OD1-N 2.9Å; D381-R429 VanDerWaalsContact CG-NH2 3.26Å; D381-R429 IonicContact OD1-NH2 2.64Å; D381-R429 PolarHBondContact OD1-NH2 3.21Å; D381-R429 IonicContact OD2-CZ 2.76Å; D381-R429 IonicContact OD2-NH2 3.08Å; D381-R429 PolarHBondContact OD2-NH2 3.46Å; D381-K433 IonicContact OD2-NZ 2.71Å; D381-K433 PolarHBondContact OD2-NZ 2.95Å
382	P	91.1	Very high	95.6	Very high	59 Å²	59	58.2 Å²	58.2	38%	0.383	29%	0.288	S	S	.	.	S	Bend	trans	-73.6	-12.4	-173.6	31.5	-37.1	0	0	0	113	I136 D380	I136-P382 HydrophobicContact CD1-CG 4.49Å; I136-P382 HydrophobicContact CG2-CG 3.68Å; D380-P382 WeakPolarHBondContact O-CD 3.35Å
383	V	93.7	Very high	95.6	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-93.4	-39.1	-174.1	175.5	0	0	0	0	111.7	I136 D381 W422 H426 K458 I459	I136-V383 HydrophobicContact CG2-CG2 3.9Å; D381-V383 PolarHBondContact O-N 3.42Å; D381-V383 WeakPolarHBondContact OD1-CB 3.41Å; D381-V383 PolarHBondContact OD1-N 2.93Å; V383-W422 HydrophobicContact CB-CH2 4.33Å; V383-W422 HydrophobicContact CB-CZ2 4.34Å; V383-W422 HydrophobicContact CG1-CH2 3.52Å; V383-W422 HydrophobicContact CG1-CZ2 3.87Å; V383-W422 HydrophobicContact CG1-CZ3 4.3Å; V383-W422 HydrophobicContact CG2-CH2 4.35Å; V383-W422 HydrophobicContact CG2-CZ2 3.87Å; V383-H426 HydrophobicContact CG1-CB 3.78Å; V383-K458 CarbonylContact O-C 3.47Å; V383-K458 VanDerWaalsContact O-CA 3.27Å; V383-K458 WeakPolarHBondContact O-CA 3.48Å; V383-I459 HydrophobicContact CG1-CD1 4.14Å; V383-I459 HydrophobicContact CG1-CG1 4.38Å; V383-I459 PolarHBondContact O-N 2.9Å
384	F	95.6	Very high	95.6	Very high	4 Å²	4	52 Å²	52	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	153.5	-171.1	-64.3	-66.5	0	0	0	113	L378 D381 H426 L427 R429 L430 I459 L461	L378-F384 HydrophobicContact CD1-CB 3.95Å; L378-F384 HydrophobicContact CD2-CB 4.3Å; L378-F384 HydrophobicContact CD2-CD2 4.1Å; L378-F384 HydrophobicContact CG-CB 4.5Å; D381-F384 PolarHBondContact OD1-N 2.9Å; F384-H426 HydrophobicContact CZ-CB 4.19Å; F384-H426 VanDerWaalsContact CZ-O 3.32Å; F384-H426 WeakPolarHBondContact CZ-O 3.29Å; F384-L427 HydrophobicContact CE1-CD2 4.19Å; F384-R429 VanDerWaalsContact CE2-NH1 3.32Å; F384-L430 HydrophobicContact CD1-CD2 4.09Å; F384-L430 HydrophobicContact CD2-CD1 4.14Å; F384-L430 HydrophobicContact CE1-CB 4.27Å; F384-L430 HydrophobicContact CE1-CD2 3.72Å; F384-L430 HydrophobicContact CE1-CG 4.5Å; F384-L430 HydrophobicContact CE2-CB 3.65Å; F384-L430 HydrophobicContact CE2-CD1 3.97Å; F384-L430 HydrophobicContact CE2-CD2 4.2Å; F384-L430 HydrophobicContact CE2-CG 4.15Å; F384-L430 HydrophobicContact CZ-CB 3.49Å; F384-L430 VanDerWaalsContact CZ-CB 3.49Å; F384-L430 HydrophobicContact CZ-CD1 4.39Å; F384-L430 HydrophobicContact CZ-CD2 3.8Å; F384-L430 HydrophobicContact CZ-CG 4.09Å; F384-I459 CarbonylContact C-O 3.46Å; F384-I459 WeakPolarHBondContact CA-O 3.18Å; F384-I459 HydrophobicContact CD1-CB 3.81Å; F384-I459 HydrophobicContact CD1-CG2 4.14Å; F384-I459 HydrophobicContact CE1-CB 3.81Å; F384-I459 HydrophobicContact CE1-CD1 4.02Å; F384-I459 HydrophobicContact CE1-CG1 4.47Å; F384-I459 HydrophobicContact CE1-CG2 3.98Å; F384-L461 HydrophobicContact CD1-CD1 4.34Å; F384-L461 HydrophobicContact CD1-CD2 3.86Å; F384-L461 HydrophobicContact CD1-CG 4.19Å; F384-L461 HydrophobicContact CE1-CD2 4.22Å
385	Q	95.2	Very high	95.6	Very high	57 Å²	57	53.1 Å²	53.1	27%	0.266	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.5	172.2	-171.9	172.8	12.1	0	0	109.1	M404 K458 I459 V460 L461	Q385-M404 HydrophobicContact CG-CE 3.77Å; Q385-K458 HydrophobicContact CB-CB 4.39Å; Q385-K458 HydrophobicContact CB-CD 3.99Å; Q385-I459 PolarHBondContact N-O 3.26Å; Q385-V460 HydrophobicContact CB-CG2 4.36Å; Q385-V460 CarbonylContact O-C 3.44Å; Q385-V460 VanDerWaalsContact O-CA 3.26Å; Q385-V460 WeakPolarHBondContact O-CA 3.39Å; Q385-L461 PolarHBondContact O-N 3.23Å
386	V	97.1	Very high	95.6	Very high	9 Å²	9	53.9 Å²	53.9	6%	0.055	28%	0.278	C	S	.	.			trans	-121.8	133.3	176.4	-179.4	0	0	0	0	107.3	F374 T375 L378 L461 F464	F374-V386 HydrophobicContact CB-CG2 4.14Å; T375-V386 WeakPolarHBondContact OG1-CG1 3.27Å; L378-V386 HydrophobicContact CD1-CG2 4.04Å; V386-L461 HydrophobicContact CG2-CB 4.45Å; V386-L461 HydrophobicContact CG2-CD1 4.45Å; V386-F464 HydrophobicContact CB-CZ 4.48Å; V386-F464 HydrophobicContact CG1-CE2 3.65Å; V386-F464 HydrophobicContact CG1-CZ 3.62Å; V386-F464 HydrophobicContact CG2-CZ 4.11Å
387	P	97	Very high	95.6	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.045	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63.9	141	177.8	26.5	-34.7	0	0	0	111.1	E402 M404 L461 L462	P387-E402 HydrophobicContact CB-CB 4.1Å; P387-M404 HydrophobicContact CB-CG 3.66Å; P387-M404 HydrophobicContact CB-SD 3.87Å; P387-M404 HydrophobicContact CG-CG 4.3Å; P387-L461 WeakPolarHBondContact CD-O 3.32Å; P387-L462 HydrophobicContact CG-CD2 4.02Å
388	Q	97.4	Very high	95.7	Very high	100 Å²	100	47.2 Å²	47.2	47%	0.467	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-69.5	135.8	174.9	-65	-60.8	-32.1	0	0	111.1	T401 E402	Q388-T401 CarbonylContact O-C 3.59Å; Q388-T401 WeakPolarHBondContact O-CA 3.35Å; Q388-E402 HydrophobicContact CB-CB 4.44Å; Q388-E402 PolarHBondContact O-N 3.23Å
389	V	98.4	Very high	95.8	Very high	20 Å²	20	47.4 Å²	47.4	12%	0.121	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-80.4	135.7	174.2	177.1	0	0	0	0	109.4	A368 K372 T394 L399 T401	A368-V389 HydrophobicContact CB-CG1 3.98Å; A368-V389 HydrophobicContact CB-CG2 4.32Å; K372-V389 HydrophobicContact CG-CB 4.37Å; K372-V389 HydrophobicContact CG-CG2 4.14Å; V389-T394 HydrophobicContact CG1-CG2 4.43Å; V389-L399 HydrophobicContact CG1-CD1 4.41Å; V389-T401 HydrophobicContact CG2-CG2 4.42Å
390	I	97.9	Very high	96.1	Very high	9 Å²	9	40 Å²	40	5%	0.046	21%	0.209	C	C	.	.			trans	-98.9	95.9	173.2	-47.4	-55.1	0	0	0	107.9	L305 V311 E392 L393 T394 T400	L305-I390 HydrophobicContact CD1-CG2 4.44Å; V311-I390 HydrophobicContact CG1-CG1 4Å; I390-E392 VanDerWaalsContact C-N 3.32Å; I390-E392 PolarHBondContact O-N 3.35Å; I390-L393 HydrophobicContact CG2-CB 4.4Å; I390-L393 HydrophobicContact CG2-CD1 4.49Å; I390-L393 HydrophobicContact CG2-CG 4.48Å; I390-L393 CarbonylContact O-C 3.53Å; I390-L393 PolarHBondContact O-N 3.3Å; I390-T394 WeakPolarHBondContact O-CB 3.19Å; I390-T394 PolarHBondContact O-N 2.89Å; I390-T394 PolarHBondContact O-OG1 2.93Å; I390-T400 HydrophobicContact CB-CG2 3.84Å; I390-T400 HydrophobicContact CG1-CG2 3.94Å; I390-T400 PolarHBondContact N-O 2.73Å
391	D	97.3	Very high	96.6	Very high	89 Å²	89	33.4 Å²	33.4	48%	0.476	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-60.9	-39.9	-172	-77.3	-45.7	0	0	0	113.3	K372 L393 T394	K372-D391 VanDerWaalsContact CE-OD1 3.29Å; K372-D391 WeakPolarHBondContact CE-OD1 3.24Å; K372-D391 IonicContact NZ-OD1 3.41Å; K372-D391 PolarHBondContact NZ-OD1 3.18Å; K372-D391 IonicContact NZ-OD2 2.76Å; K372-D391 PolarHBondContact NZ-OD2 3.12Å; D391-L393 PolarHBondContact O-N 3.49Å; D391-L393 VanDerWaalsContact O-N 3.09Å; D391-T394 PolarHBondContact O-N 3.14Å
392	E	95	Very high	96.8	Very high	146 Å²	146	36.4 Å²	36.4	68%	0.682	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-60.4	-23.4	-178.5	-54.4	123.4	-128.9	0	0	113	I390	I390-E392 VanDerWaalsContact C-N 3.32Å; I390-E392 PolarHBondContact O-N 3.35Å
393	L	97.1	Very high	97	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-116.6	22	-179.4	-62.6	178.6	0	0	0	112.3	L276 H283 L305 I390 D391 I398 T400	L276-L393 HydrophobicContact CD1-CD2 4.26Å; L276-L393 HydrophobicContact CD2-CD2 4.42Å; H283-L393 HydrophobicContact CB-CD1 4.16Å; H283-L393 HydrophobicContact CB-CD2 3.73Å; H283-L393 HydrophobicContact CB-CG 4.48Å; L305-L393 HydrophobicContact CD2-CD1 3.56Å; I390-L393 HydrophobicContact CG2-CB 4.4Å; I390-L393 HydrophobicContact CG2-CD1 4.49Å; I390-L393 HydrophobicContact CG2-CG 4.48Å; I390-L393 CarbonylContact O-C 3.53Å; I390-L393 PolarHBondContact O-N 3.3Å; D391-L393 PolarHBondContact O-N 3.49Å; D391-L393 VanDerWaalsContact O-N 3.09Å; L393-I398 WeakPolarHBondContact O-CG2 3.39Å; L393-T400 HydrophobicContact CB-CG2 4.04Å; L393-T400 WeakPolarHBondContact CB-OG1 3.35Å; L393-T400 HydrophobicContact CD1-CG2 4.38Å; L393-T400 WeakPolarHBondContact O-CB 3.36Å; L393-T400 PolarHBondContact O-OG1 2.88Å
394	T	98.4	Very high	97	Very high	14 Å²	14	35.7 Å²	35.7	9%	0.086	18%	0.179	C	C	.	.			trans	-119.6	128.4	179.1	-64.8	0	0	0	0	110.1	L365 A368 V389 I390 D391 I398 L399 T400	L365-T394 HydrophobicContact CD2-CG2 4.19Å; A368-T394 HydrophobicContact CB-CG2 3.97Å; V389-T394 HydrophobicContact CG1-CG2 4.43Å; I390-T394 WeakPolarHBondContact O-CB 3.19Å; I390-T394 PolarHBondContact O-N 2.89Å; I390-T394 PolarHBondContact O-OG1 2.93Å; D391-T394 PolarHBondContact O-N 3.14Å; T394-I398 CarbonylContact C-O 3.46Å; T394-I398 WeakPolarHBondContact CA-O 3.36Å; T394-L399 HydrophobicContact CG2-CD1 3.84Å; T394-T400 PolarHBondContact OG1-N 3.24Å; T394-T400 VanDerWaalsContact OG1-N 3.1Å; T394-T400 PolarHBondContact OG1-O 3.05Å
395	T	98.1	Very high	96.7	Very high	25 Å²	25	39 Å²	39	15%	0.153	20%	0.197	C	C	.	.			trans	-133.6	-175.7	179.1	80.4	0	0	0	0	109.8	E275 L276 Y364 R397 I398	E275-T395 HydrophobicContact CB-CG2 4.23Å; E275-T395 WeakPolarHBondContact OE2-CB 3.44Å; E275-T395 PolarHBondContact OE2-OG1 3.17Å; L276-T395 HydrophobicContact CD2-CG2 3.78Å; Y364-T395 WeakPolarHBondContact CB-O 3.36Å; T395-R397 PolarHBondContact O-N 2.65Å; T395-R397 PolarHBondContact OG1-N 3.35Å; T395-R397 VanDerWaalsContact OG1-N 3.16Å; T395-I398 PolarHBondContact N-O 2.62Å; T395-I398 PolarHBondContact OG1-N 2.89Å
396	S	96.1	Very high	96.5	Very high	48 Å²	48	37 Å²	37	34%	0.336	19%	0.192	S	C	.	.	S	Bend	trans	-62.3	-20.3	174.2	68.1	0	0	0	0	114.2	Y364	Y364-S396 PolarHBondContact N-O 2.87Å; Y364-S396 VanDerWaalsContact N-O 3.08Å
397	R	97.2	Very high	96.1	Very high	63 Å²	63	37 Å²	37	24%	0.238	19%	0.191	C	C	.	.	S	Bend	trans	-124.3	-2.6	-176.3	-56.5	-172.1	-178.7	-160.7	-9.9	114.3	E275 Q316 D322 Y364 T395	E275-R397 HydrophobicContact CG-CB 3.97Å; E275-R397 WeakPolarHBondContact OE1-CD 3.18Å; E275-R397 IonicContact OE1-NE 3.35Å; Q316-R397 HydrophobicContact CB-CB 4.03Å; Q316-R397 VanDerWaalsContact CB-O 3.29Å; Q316-R397 WeakPolarHBondContact CB-O 3.32Å; Q316-R397 PolarHBondContact N-O 3.19Å; D322-R397 IonicContact OD1-NH2 3.31Å; D322-R397 PolarHBondContact OD1-NH2 3.44Å; D322-R397 IonicContact OD2-NH1 3.03Å; D322-R397 IonicContact OD2-NH2 3.83Å; D322-R397 PolarHBondContact OD2-NH2 3.46Å; Y364-R397 WeakPolarHBondContact CD2-O 3.14Å; Y364-R397 WeakPolarHBondContact CE2-O 3.49Å; T395-R397 PolarHBondContact O-N 2.65Å; T395-R397 PolarHBondContact OG1-N 3.35Å; T395-R397 VanDerWaalsContact OG1-N 3.16Å
398	I	98.2	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.1	173	-64.9	167	0	0	0	109	L272 E275 L276 I313 K314 L393 T394 T395	L272-I398 HydrophobicContact CD2-CD1 3.75Å; E275-I398 HydrophobicContact CB-CD1 3.47Å; E275-I398 VanDerWaalsContact CB-CD1 3.47Å; E275-I398 HydrophobicContact CB-CG1 4.21Å; E275-I398 HydrophobicContact CG-CD1 4.08Å; E275-I398 HydrophobicContact CG-CG1 4.39Å; L276-I398 HydrophobicContact CD1-CD1 3.8Å; L276-I398 HydrophobicContact CD2-CD1 4.36Å; L276-I398 HydrophobicContact CG-CD1 3.66Å; I313-I398 HydrophobicContact CG2-CG2 3.65Å; K314-I398 CarbonylContact O-C 3.58Å; K314-I398 WeakPolarHBondContact O-CA 3.41Å; L393-I398 WeakPolarHBondContact O-CG2 3.39Å; T394-I398 CarbonylContact C-O 3.46Å; T394-I398 WeakPolarHBondContact CA-O 3.36Å; T395-I398 PolarHBondContact N-O 2.62Å; T395-I398 PolarHBondContact OG1-N 2.89Å
399	L	98.3	Very high	95.1	Very high	10 Å²	10	34 Å²	34	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.8	171.9	173.5	63.9	0	0	0	108.4	K314 Y364 E367 A368 V389 T394 T401	K314-L399 HydrophobicContact CB-CB 4.22Å; K314-L399 HydrophobicContact CD-CD2 4.45Å; K314-L399 PolarHBondContact N-O 2.55Å; K314-L399 PolarHBondContact O-N 3.18Å; Y364-L399 HydrophobicContact CD2-CB 3.93Å; Y364-L399 HydrophobicContact CG-CB 4.08Å; E367-L399 HydrophobicContact CB-CD2 4.26Å; E367-L399 VanDerWaalsContact CD-CD2 3.46Å; E367-L399 HydrophobicContact CG-CD2 3.64Å; E367-L399 WeakPolarHBondContact OE1-CD2 3.42Å; A368-L399 HydrophobicContact CB-CD1 3.79Å; V389-L399 HydrophobicContact CG1-CD1 4.41Å; T394-L399 HydrophobicContact CG2-CD1 3.84Å; L399-T401 HydrophobicContact CD1-CG2 4.08Å; L399-T401 HydrophobicContact CD2-CG2 4.33Å; L399-T401 HydrophobicContact CG-CG2 3.96Å
400	T	98.5	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.8	176.1	-59.3	0	0	0	0	109.8	V311 A312 I313 I390 L393 T394	V311-T400 HydrophobicContact CB-CG2 3.85Å; V311-T400 HydrophobicContact CG1-CG2 4.24Å; V311-T400 HydrophobicContact CG2-CG2 3.95Å; A312-T400 WeakPolarHBondContact O-CA 3.29Å; I313-T400 HydrophobicContact CG1-CG2 3.99Å; I390-T400 HydrophobicContact CB-CG2 3.84Å; I390-T400 HydrophobicContact CG1-CG2 3.94Å; I390-T400 PolarHBondContact N-O 2.73Å; L393-T400 HydrophobicContact CB-CG2 4.04Å; L393-T400 WeakPolarHBondContact CB-OG1 3.35Å; L393-T400 HydrophobicContact CD1-CG2 4.38Å; L393-T400 WeakPolarHBondContact O-CB 3.36Å; L393-T400 PolarHBondContact O-OG1 2.88Å; T394-T400 PolarHBondContact OG1-N 3.24Å; T394-T400 VanDerWaalsContact OG1-N 3.1Å; T394-T400 PolarHBondContact OG1-O 3.05Å
401	T	98.3	Very high	93.6	Very high	22 Å²	22	39.3 Å²	39.3	14%	0.135	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	164.2	176.9	71.7	0	0	0	0	111.2	V311 A312 Q388 V389 L399 Y403	V311-T401 CarbonylContact C-O 3.5Å; V311-T401 WeakPolarHBondContact CA-O 3.24Å; V311-T401 VanDerWaalsContact CB-O 3.23Å; V311-T401 WeakPolarHBondContact CB-O 3.34Å; A312-T401 PolarHBondContact N-O 3.5Å; A312-T401 PolarHBondContact O-N 2.95Å; Q388-T401 CarbonylContact O-C 3.59Å; Q388-T401 WeakPolarHBondContact O-CA 3.35Å; V389-T401 HydrophobicContact CG2-CG2 4.42Å; L399-T401 HydrophobicContact CD1-CG2 4.08Å; L399-T401 HydrophobicContact CD2-CG2 4.33Å; L399-T401 HydrophobicContact CG-CG2 3.96Å; T401-Y403 PolarHBondContact O-N 3.23Å
402	E	97.4	Very high	93.2	Very high	75 Å²	75	35.1 Å²	35.1	35%	0.35	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	137	163.5	-174.4	-177.9	-176.4	0	0	110.4	P387 Q388 M404	P387-E402 HydrophobicContact CB-CB 4.1Å; Q388-E402 HydrophobicContact CB-CB 4.44Å; Q388-E402 PolarHBondContact O-N 3.23Å; E402-M404 HydrophobicContact CB-SD 4.15Å; E402-M404 HydrophobicContact CG-SD 3.77Å
403	Y	95.9	Very high	92.8	Very high	25 Å²	25	30.9 Å²	30.9	10%	0.098	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-80.6	121.1	174.2	179.7	-91.5	0	0	0	110.4	P150 F292 R302 I310 A312 T401 N405	P150-Y403 WeakPolarHBondContact CD-OH 3.44Å; P150-Y403 WeakPolarHBondContact CG-OH 3.39Å; F292-Y403 HydrophobicContact CE1-CD2 4.36Å; F292-Y403 HydrophobicContact CE1-CE2 4.02Å; F292-Y403 HydrophobicContact CE2-CE2 4.3Å; F292-Y403 HydrophobicContact CZ-CD2 4.23Å; F292-Y403 AromaticContact CZ-CE2 3.85Å; F292-Y403 HydrophobicContact CZ-CE2 3.85Å; R302-Y403 HydrophobicContact CG-CD2 4.26Å; R302-Y403 HydrophobicContact CG-CE2 4.35Å; I310-Y403 HydrophobicContact CG2-CD1 3.97Å; I310-Y403 HydrophobicContact CG2-CG 3.79Å; I310-Y403 WeakPolarHBondContact O-CB 3.36Å; I310-Y403 PolarHBondContact O-N 3Å; A312-Y403 HydrophobicContact CB-CD2 4.26Å; T401-Y403 PolarHBondContact O-N 3.23Å; Y403-N405 WeakPolarHBondContact CE1-OD1 3.47Å
404	M	93.8	Very high	92.3	Very high	20 Å²	20	36.8 Å²	36.8	10%	0.099	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-103.2	133.9	-174.3	-55.1	-56.8	-71.1	0	0	111.8	Q385 P387 E402 L451 V460 L462	Q385-M404 HydrophobicContact CG-CE 3.77Å; P387-M404 HydrophobicContact CB-CG 3.66Å; P387-M404 HydrophobicContact CB-SD 3.87Å; P387-M404 HydrophobicContact CG-CG 4.3Å; E402-M404 HydrophobicContact CB-SD 4.15Å; E402-M404 HydrophobicContact CG-SD 3.77Å; M404-L451 HydrophobicContact CB-CD1 4.18Å; M404-V460 HydrophobicContact CB-CG1 3.76Å; M404-V460 HydrophobicContact CB-CG2 4.41Å; M404-V460 HydrophobicContact CE-CB 4.47Å; M404-V460 HydrophobicContact CE-CG1 3.82Å; M404-V460 HydrophobicContact CE-CG2 3.78Å; M404-V460 HydrophobicContact CG-CG1 3.67Å; M404-L462 HydrophobicContact CB-CD2 4.37Å; M404-L462 HydrophobicContact CG-CD2 4.15Å
405	N	88.8	Confident	91.9	Very high	74 Å²	74	36.3 Å²	36.3	40%	0.396	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-99.2	137.2	174.6	-68.6	-68.7	0	0	0	111	Y403 N453	Y403-N405 WeakPolarHBondContact CE1-OD1 3.47Å; N405-N453 PolarHBondContact O-ND2 2.75Å
406	G	90.1	Very high	91.6	Very high	15 Å²	15	38 Å²	38	16%	0.155	21%	0.207	C	C	.	.			trans	171.8	172.2	172.9	0	0	0	0	0	111.8	Y452	G406-Y452 CarbonylContact C-O 3.57Å; G406-Y452 WeakPolarHBondContact CA-O 3.07Å
407	L	89.7	Confident	91.4	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.8	171.6	-55.4	175	0	0	0	108.7	Y145 L415 L451 Y452 P454	Y145-L407 HydrophobicContact CD1-CD1 3.91Å; Y145-L407 HydrophobicContact CE1-CD1 3.44Å; Y145-L407 VanDerWaalsContact CE1-CD1 3.44Å; Y145-L407 HydrophobicContact CE1-CD2 4.02Å; Y145-L407 HydrophobicContact CE1-CG 4.3Å; L407-L415 HydrophobicContact CD1-CD1 4.26Å; L407-L415 HydrophobicContact CD1-CD2 4.2Å; L407-L451 CarbonylContact O-C 3.53Å; L407-L451 VanDerWaalsContact O-CA 3.27Å; L407-L451 WeakPolarHBondContact O-CA 3.41Å; L407-Y452 PolarHBondContact N-O 3.27Å; L407-Y452 PolarHBondContact O-N 3.41Å; L407-P454 HydrophobicContact CD1-CG 3.64Å; L407-P454 HydrophobicContact CG-CG 4.06Å
408	V	87.3	Confident	91.1	Very high	45 Å²	45	40.4 Å²	40.4	27%	0.273	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	148.6	165.8	-67.3	0	0	0	0	109.2	D410 D411 C412 L451	V408-D410 HydrophobicContact CG2-CB 4.18Å; V408-D410 PolarHBondContact O-N 3.27Å; V408-D410 VanDerWaalsContact O-N 3.1Å; V408-D411 HydrophobicContact CG2-CB 4.26Å; V408-D411 WeakPolarHBondContact CG2-OD2 3.33Å; V408-D411 PolarHBondContact O-N 2.71Å; V408-C412 PolarHBondContact O-N 2.87Å; V408-C412 PolarHBondContact O-SG 3.46Å; V408-L451 HydrophobicContact CB-CD2 4.38Å; V408-L451 HydrophobicContact CG1-CD2 3.59Å
409	L	85.1	Confident	90.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.6	-176.8	-66.9	-171.7	0	0	0	113.7	D411 C412 I423 L427 W447 F450 L575	L409-D411 VanDerWaalsContact C-N 3.27Å; L409-D411 PolarHBondContact O-N 2.78Å; L409-C412 HydrophobicContact CD2-CB 4.47Å; L409-C412 WeakPolarHBondContact O-CB 3.43Å; L409-C412 PolarHBondContact O-N 3.12Å; L409-C412 VanDerWaalsContact O-N 3.17Å; L409-I423 HydrophobicContact CD2-CG2 3.85Å; L409-L427 HydrophobicContact CD1-CD1 3.46Å; L409-L427 VanDerWaalsContact CD1-CD1 3.46Å; L409-W447 HydrophobicContact CB-CB 4.26Å; L409-F450 HydrophobicContact CD1-CB 3.37Å; L409-F450 HydrophobicContact CD1-CD2 4.28Å; L409-F450 HydrophobicContact CD1-CG 3.95Å; L409-F450 HydrophobicContact CD2-CB 4.49Å; L409-F450 HydrophobicContact CG-CB 3.63Å; L409-F450 PolarHBondContact N-O 2.91Å; L409-L575 HydrophobicContact CB-CD1 4.15Å; L409-L575 HydrophobicContact CD1-CD1 4.05Å; L409-L575 HydrophobicContact CD1-CD2 3.73Å
410	D	80.9	Confident	90.5	Very high	57 Å²	57	41.4 Å²	41.4	31%	0.305	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.4	170.3	-82.2	-69.6	0	0	0	113.3	V408 C412 I413 K578	V408-D410 HydrophobicContact CG2-CB 4.18Å; V408-D410 PolarHBondContact O-N 3.27Å; V408-D410 VanDerWaalsContact O-N 3.1Å; D410-C412 VanDerWaalsContact C-N 3.32Å; D410-I413 WeakPolarHBondContact O-CG1 3.39Å; D410-K578 IonicContact OD1-NZ 2.87Å; D410-K578 PolarHBondContact OD1-NZ 2.89Å
411	D	84.6	Confident	90.3	Very high	83 Å²	83	42.9 Å²	42.9	44%	0.444	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-81.8	-16.7	179.8	-65.3	-30.5	0	0	0	112	V408 L409 I413	V408-D411 HydrophobicContact CG2-CB 4.26Å; V408-D411 WeakPolarHBondContact CG2-OD2 3.33Å; V408-D411 PolarHBondContact O-N 2.71Å; L409-D411 VanDerWaalsContact C-N 3.27Å; L409-D411 PolarHBondContact O-N 2.78Å; D411-I413 PolarHBondContact O-N 3Å
412	C	88.1	Confident	90.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-71.2	-10.4	-178.9	-65.6	0	0	0	0	113.4	V408 L409 D410 N414 L415 R420 I423 L579	V408-C412 PolarHBondContact O-N 2.87Å; V408-C412 PolarHBondContact O-SG 3.46Å; L409-C412 HydrophobicContact CD2-CB 4.47Å; L409-C412 WeakPolarHBondContact O-CB 3.43Å; L409-C412 PolarHBondContact O-N 3.12Å; L409-C412 VanDerWaalsContact O-N 3.17Å; D410-C412 VanDerWaalsContact C-N 3.32Å; C412-N414 PolarHBondContact O-N 2.69Å; C412-N414 VanDerWaalsContact O-N 3.16Å; C412-L415 HydrophobicContact CB-CD1 3.76Å; C412-L415 HydrophobicContact CB-CG 4.41Å; C412-L415 WeakPolarHBondContact O-CB 3.27Å; C412-L415 PolarHBondContact O-N 2.94Å; C412-L415 VanDerWaalsContact O-N 3.07Å; C412-R420 VanDerWaalsContact O-CD 3.32Å; C412-R420 WeakPolarHBondContact O-CD 3.25Å; C412-R420 WeakPolarHBondContact O-CG 3.47Å; C412-I423 HydrophobicContact CB-CD1 4.12Å; C412-L579 HydrophobicContact CB-CD2 4.05Å
413	I	87.7	Confident	89.9	Confident	57 Å²	57	38.6 Å²	38.6	29%	0.292	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-60.9	-23.6	178.5	65	177.1	0	0	0	113.6	D410 D411 R420 K578 L579	D410-I413 WeakPolarHBondContact O-CG1 3.39Å; D411-I413 PolarHBondContact O-N 3Å; I413-R420 VanDerWaalsContact O-CD 3.25Å; I413-R420 WeakPolarHBondContact O-CD 3.21Å; I413-R420 PolarHBondContact O-NE 3.42Å; I413-K578 HydrophobicContact CG2-CD 4.21Å; I413-K578 HydrophobicContact CG2-CG 3.89Å; I413-L579 HydrophobicContact CG2-CD2 4.33Å
414	N	85.9	Confident	89.8	Confident	132 Å²	132	37.4 Å²	37.4	71%	0.706	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-94.5	-1.5	-179.6	-62.6	-46.1	0	0	0	112.9	C412	C412-N414 PolarHBondContact O-N 2.69Å; C412-N414 VanDerWaalsContact O-N 3.16Å
415	L	90.2	Very high	89.8	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.201	C	C	.	.	S	Bend	trans	-70.8	159.9	177.1	-66.2	176.7	0	0	0	111.4	L142 Y145 L407 C412 V419 R420 I423 Y452	L142-L415 HydrophobicContact CD1-CD2 4Å; Y145-L415 HydrophobicContact CD2-CD2 4.19Å; Y145-L415 HydrophobicContact CE1-CD2 4.31Å; Y145-L415 HydrophobicContact CE2-CD2 3.56Å; L407-L415 HydrophobicContact CD1-CD1 4.26Å; L407-L415 HydrophobicContact CD1-CD2 4.2Å; C412-L415 HydrophobicContact CB-CD1 3.76Å; C412-L415 HydrophobicContact CB-CG 4.41Å; C412-L415 WeakPolarHBondContact O-CB 3.27Å; C412-L415 PolarHBondContact O-N 2.94Å; C412-L415 VanDerWaalsContact O-N 3.07Å; L415-V419 HydrophobicContact CB-CB 4.33Å; L415-V419 HydrophobicContact CB-CG1 4.3Å; L415-V419 HydrophobicContact CD1-CG1 3.91Å; L415-R420 HydrophobicContact CB-CG 4.16Å; L415-R420 WeakPolarHBondContact O-CD 3.5Å; L415-R420 PolarHBondContact O-NE 3.24Å; L415-I423 HydrophobicContact CD1-CD1 4.27Å; L415-Y452 HydrophobicContact CD1-CD1 3.67Å; L415-Y452 HydrophobicContact CD1-CE1 3.73Å
416	P	91.1	Very high	90	Very high	62 Å²	62	33.7 Å²	33.7	40%	0.403	18%	0.182	S	C	.	.			trans	-49.6	142.7	173	-29.8	37.9	0	0	0	112.5	N418 V419 R420	P416-N418 WeakPolarHBondContact CB-OD1 3.27Å; P416-N418 PolarHBondContact O-N 3.06Å; P416-V419 HydrophobicContact CB-CG2 4.23Å; P416-V419 WeakPolarHBondContact O-CB 3.43Å; P416-V419 PolarHBondContact O-N 3.49Å; P416-R420 PolarHBondContact O-N 2.86Å
417	Q	92	Very high	90.2	Very high	73 Å²	73	33.3 Å²	33.3	34%	0.341	18%	0.177	S	C	.	.	H	α-helix	trans	-56.7	-37.2	-174	-176.8	66.5	55.8	0	0	112.8	V419 R420 N421 K580	Q417-V419 VanDerWaalsContact C-N 3.33Å; Q417-V419 PolarHBondContact O-N 2.88Å; Q417-R420 PolarHBondContact O-N 3.01Å; Q417-R420 VanDerWaalsContact OE1-CZ 3.25Å; Q417-N421 PolarHBondContact NE2-OD1 3.21Å; Q417-N421 WeakPolarHBondContact O-CB 3.31Å; Q417-N421 PolarHBondContact O-N 3.28Å; Q417-N421 PolarHBondContact O-OD1 3.43Å; Q417-K580 PolarHBondContact NE2-O 3.35Å
418	N	90.8	Very high	90.3	Very high	87 Å²	87	33.2 Å²	33.2	47%	0.465	18%	0.176	S	C	.	.	H	α-helix	trans	-63	-38.1	176	63.4	-39.8	0	0	0	112.4	L140 P416 W422	L140-N418 HydrophobicContact CD1-CB 4.15Å; L140-N418 WeakPolarHBondContact CD1-O 3.3Å; P416-N418 WeakPolarHBondContact CB-OD1 3.27Å; P416-N418 PolarHBondContact O-N 3.06Å; N418-W422 VanDerWaalsContact O-CB 3.29Å; N418-W422 WeakPolarHBondContact O-CB 3.2Å; N418-W422 PolarHBondContact O-N 3.49Å
419	V	91.5	Very high	90.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-68.9	-42.7	175.6	-178.9	0	0	0	0	110.5	L140 L142 L415 P416 Q417 N421 W422 I423 Y452	L140-V419 HydrophobicContact CB-CG2 4.04Å; L140-V419 HydrophobicContact CD1-CB 4.45Å; L140-V419 HydrophobicContact CD1-CG2 3.97Å; L142-V419 HydrophobicContact CD1-CG2 4.35Å; L415-V419 HydrophobicContact CB-CB 4.33Å; L415-V419 HydrophobicContact CB-CG1 4.3Å; L415-V419 HydrophobicContact CD1-CG1 3.91Å; P416-V419 HydrophobicContact CB-CG2 4.23Å; P416-V419 WeakPolarHBondContact O-CB 3.43Å; P416-V419 PolarHBondContact O-N 3.49Å; Q417-V419 VanDerWaalsContact C-N 3.33Å; Q417-V419 PolarHBondContact O-N 2.88Å; V419-N421 PolarHBondContact O-N 2.91Å; V419-W422 PolarHBondContact O-N 3.28Å; V419-I423 HydrophobicContact CG1-CD1 4.02Å; V419-I423 HydrophobicContact CG1-CG1 4.44Å; V419-I423 WeakPolarHBondContact O-CG1 3.48Å; V419-I423 PolarHBondContact O-N 3.47Å; V419-Y452 HydrophobicContact CG1-CE1 3.71Å
420	R	93.2	Very high	91.2	Very high	31 Å²	31	31.6 Å²	31.6	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-40.8	175.7	-67.9	-170.2	-76.6	126.2	-0.7	112.7	C412 I413 L415 P416 Q417 G424 L579	C412-R420 VanDerWaalsContact O-CD 3.32Å; C412-R420 WeakPolarHBondContact O-CD 3.25Å; C412-R420 WeakPolarHBondContact O-CG 3.47Å; I413-R420 VanDerWaalsContact O-CD 3.25Å; I413-R420 WeakPolarHBondContact O-CD 3.21Å; I413-R420 PolarHBondContact O-NE 3.42Å; L415-R420 HydrophobicContact CB-CG 4.16Å; L415-R420 WeakPolarHBondContact O-CD 3.5Å; L415-R420 PolarHBondContact O-NE 3.24Å; P416-R420 PolarHBondContact O-N 2.86Å; Q417-R420 PolarHBondContact O-N 3.01Å; Q417-R420 VanDerWaalsContact OE1-CZ 3.25Å; R420-G424 PolarHBondContact O-N 3.35Å; R420-L579 HydrophobicContact CB-CB 4.36Å; R420-L579 WeakPolarHBondContact CD-O 3.33Å; R420-L579 HydrophobicContact CG-CD2 4.27Å; R420-L579 PolarHBondContact NH1-O 3.13Å
421	N	93.9	Very high	91.8	Very high	31 Å²	31	29 Å²	29	17%	0.166	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-48.4	172.6	-69.3	-2.1	0	0	0	111	Q417 V419 I423 G424 E425 A581 V582	Q417-N421 PolarHBondContact NE2-OD1 3.21Å; Q417-N421 WeakPolarHBondContact O-CB 3.31Å; Q417-N421 PolarHBondContact O-N 3.28Å; Q417-N421 PolarHBondContact O-OD1 3.43Å; V419-N421 PolarHBondContact O-N 2.91Å; N421-I423 PolarHBondContact O-N 3.06Å; N421-G424 PolarHBondContact O-N 2.99Å; N421-E425 VanDerWaalsContact O-CB 3.27Å; N421-E425 WeakPolarHBondContact O-CB 3.34Å; N421-E425 PolarHBondContact O-N 3.22Å; N421-A581 WeakPolarHBondContact OD1-CA 3.44Å; N421-V582 PolarHBondContact ND2-O 2.95Å; N421-V582 PolarHBondContact OD1-N 3.5Å
422	W	93.7	Very high	92.3	Very high	6 Å²	6	25.2 Å²	25.2	2%	0.023	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-44	179.9	-176.9	92.1	0	0	0	112.1	R137 K138 P139 L140 V383 N418 V419 H426 Y452 G457 I459	R137-W422 PolarHBondContact O-NE1 2.77Å; K138-W422 PolarHBondContact O-NE1 2.87Å; P139-W422 HydrophobicContact CB-CH2 4.37Å; P139-W422 HydrophobicContact CB-CZ2 3.9Å; L140-W422 HydrophobicContact CD1-CB 3.79Å; L140-W422 HydrophobicContact CD1-CG 4.08Å; L140-W422 HydrophobicContact CG-CG 4.38Å; V383-W422 HydrophobicContact CB-CH2 4.33Å; V383-W422 HydrophobicContact CB-CZ2 4.34Å; V383-W422 HydrophobicContact CG1-CH2 3.52Å; V383-W422 HydrophobicContact CG1-CZ2 3.87Å; V383-W422 HydrophobicContact CG1-CZ3 4.3Å; V383-W422 HydrophobicContact CG2-CH2 4.35Å; V383-W422 HydrophobicContact CG2-CZ2 3.87Å; N418-W422 VanDerWaalsContact O-CB 3.29Å; N418-W422 WeakPolarHBondContact O-CB 3.2Å; N418-W422 PolarHBondContact O-N 3.49Å; V419-W422 PolarHBondContact O-N 3.28Å; W422-H426 AromaticContact CD1-CD2 3.61Å; W422-H426 AromaticContact CD1-NE2 3.44Å; W422-H426 AromaticContact CD2-CD2 3.44Å; W422-H426 VanDerWaalsContact CD2-CD2 3.44Å; W422-H426 AromaticContact CD2-NE2 3.99Å; W422-H426 AromaticContact CE2-CD2 3.14Å; W422-H426 AromaticContact CE2-NE2 3.32Å; W422-H426 VanDerWaalsContact CE2-NE2 3.32Å; W422-H426 AromaticContact CG-CD2 3.73Å; W422-H426 AromaticContact CZ2-CD2 3.55Å; W422-H426 AromaticContact CZ2-NE2 3.8Å; W422-H426 AromaticContact NE1-CD2 3.29Å; W422-H426 PolarHBondContact NE1-CD2 3.14Å; W422-H426 VanDerWaalsContact NE1-CD2 3.29Å; W422-H426 AromaticContact NE1-NE2 2.96Å; W422-H426 PolarHBondContact NE1-NE2 2.84Å; W422-H426 WeakPolarHBondContact O-CB 3.48Å; W422-H426 PolarHBondContact O-CD2 2.77Å; W422-H426 PolarHBondContact O-N 3.22Å; W422-Y452 HydrophobicContact CE3-CE2 4.4Å; W422-Y452 HydrophobicContact CZ3-CD2 4.26Å; W422-Y452 AromaticContact CZ3-CE2 3.89Å; W422-Y452 HydrophobicContact CZ3-CE2 3.89Å; W422-G457 WeakPolarHBondContact CH2-O 3.41Å; W422-I459 HydrophobicContact CH2-CD1 4.49Å; W422-I459 HydrophobicContact CH2-CG1 4.4Å; W422-I459 HydrophobicContact CZ3-CD1 3.88Å; W422-I459 HydrophobicContact CZ3-CG1 3.9Å
423	I	94	Very high	92.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-49.5	175.4	-68.1	169.4	0	0	0	110.6	L409 C412 L415 V419 N421 H426 L427 Y452 I459 L579	L409-I423 HydrophobicContact CD2-CG2 3.85Å; C412-I423 HydrophobicContact CB-CD1 4.12Å; L415-I423 HydrophobicContact CD1-CD1 4.27Å; V419-I423 HydrophobicContact CG1-CD1 4.02Å; V419-I423 HydrophobicContact CG1-CG1 4.44Å; V419-I423 WeakPolarHBondContact O-CG1 3.48Å; V419-I423 PolarHBondContact O-N 3.47Å; N421-I423 PolarHBondContact O-N 3.06Å; I423-H426 PolarHBondContact O-N 3.26Å; I423-L427 HydrophobicContact CG2-CD1 3.67Å; I423-L427 HydrophobicContact CG2-CG 4.44Å; I423-L427 WeakPolarHBondContact O-CB 3.17Å; I423-L427 VanDerWaalsContact O-CG 3.29Å; I423-L427 WeakPolarHBondContact O-CG 3.43Å; I423-L427 PolarHBondContact O-N 3.43Å; I423-Y452 HydrophobicContact CD1-CD1 3.92Å; I423-Y452 HydrophobicContact CD1-CD2 4.12Å; I423-Y452 HydrophobicContact CD1-CE1 4.37Å; I423-Y452 HydrophobicContact CD1-CG 3.77Å; I423-Y452 HydrophobicContact CG1-CD2 4.2Å; I423-Y452 HydrophobicContact CG1-CG 4.34Å; I423-I459 HydrophobicContact CG2-CD1 4.32Å; I423-L579 HydrophobicContact CB-CD1 4.25Å; I423-L579 HydrophobicContact CG2-CD1 3.73Å
424	G	92.8	Very high	93	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-47.1	179.8	0	0	0	0	0	112.8	R420 N421 H426 L427 L428	R420-G424 PolarHBondContact O-N 3.35Å; N421-G424 PolarHBondContact O-N 2.99Å; G424-H426 PolarHBondContact O-N 3.01Å; G424-L427 PolarHBondContact O-N 3.38Å; G424-L428 WeakPolarHBondContact O-CG 3.29Å; G424-L428 PolarHBondContact O-N 3.5Å
425	E	93.7	Very high	93.5	Very high	16 Å²	16	18.5 Å²	18.5	8%	0.075	9%	0.094	C	C	.	.	H	α-helix	trans	-55.3	-49.9	176.6	-178.7	180	152.2	0	0	111.3	R137 N421 L428 R429 V583 L588	R137-E425 IonicContact NH1-OE2 3.51Å; R137-E425 PolarHBondContact NH1-OE2 2.89Å; N421-E425 VanDerWaalsContact O-CB 3.27Å; N421-E425 WeakPolarHBondContact O-CB 3.34Å; N421-E425 PolarHBondContact O-N 3.22Å; E425-L428 PolarHBondContact O-N 3.02Å; E425-R429 WeakPolarHBondContact O-CB 3.39Å; E425-R429 PolarHBondContact O-N 3.47Å; E425-V583 HydrophobicContact CB-CG1 3.8Å; E425-V583 HydrophobicContact CB-CG2 4.06Å; E425-V583 HydrophobicContact CG-CG1 3.97Å; E425-L588 HydrophobicContact CG-CD1 4.29Å; E425-L588 HydrophobicContact CG-CD2 4.37Å
426	H	94.2	Very high	93.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-72.9	-33.7	-176.6	-75.9	-56.2	0	0	0	113.3	V383 F384 W422 I423 G424 R429 L430 I459	V383-H426 HydrophobicContact CG1-CB 3.78Å; F384-H426 HydrophobicContact CZ-CB 4.19Å; F384-H426 VanDerWaalsContact CZ-O 3.32Å; F384-H426 WeakPolarHBondContact CZ-O 3.29Å; W422-H426 AromaticContact CD1-CD2 3.61Å; W422-H426 AromaticContact CD1-NE2 3.44Å; W422-H426 AromaticContact CD2-CD2 3.44Å; W422-H426 VanDerWaalsContact CD2-CD2 3.44Å; W422-H426 AromaticContact CD2-NE2 3.99Å; W422-H426 AromaticContact CE2-CD2 3.14Å; W422-H426 AromaticContact CE2-NE2 3.32Å; W422-H426 VanDerWaalsContact CE2-NE2 3.32Å; W422-H426 AromaticContact CG-CD2 3.73Å; W422-H426 AromaticContact CZ2-CD2 3.55Å; W422-H426 AromaticContact CZ2-NE2 3.8Å; W422-H426 AromaticContact NE1-CD2 3.29Å; W422-H426 PolarHBondContact NE1-CD2 3.14Å; W422-H426 VanDerWaalsContact NE1-CD2 3.29Å; W422-H426 AromaticContact NE1-NE2 2.96Å; W422-H426 PolarHBondContact NE1-NE2 2.84Å; W422-H426 WeakPolarHBondContact O-CB 3.48Å; W422-H426 PolarHBondContact O-CD2 2.77Å; W422-H426 PolarHBondContact O-N 3.22Å; I423-H426 PolarHBondContact O-N 3.26Å; G424-H426 PolarHBondContact O-N 3.01Å; H426-R429 VanDerWaalsContact CA-NH1 3.27Å; H426-R429 VanDerWaalsContact CG-NH1 3.31Å; H426-R429 PolarHBondContact ND1-NH1 3.41Å; H426-R429 WeakPolarHBondContact O-CB 3.43Å; H426-R429 PolarHBondContact O-N 3.25Å; H426-R429 PolarHBondContact O-NH1 3.05Å; H426-L430 PolarHBondContact O-N 2.96Å; H426-I459 HydrophobicContact CB-CD1 4.33Å
427	L	93.6	Very high	94	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-68.6	-35.8	174.5	-72.1	171.9	0	0	0	112.5	F384 L409 I423 G424 L430 C431 F450 I459 L575	F384-L427 HydrophobicContact CE1-CD2 4.19Å; L409-L427 HydrophobicContact CD1-CD1 3.46Å; L409-L427 VanDerWaalsContact CD1-CD1 3.46Å; I423-L427 HydrophobicContact CG2-CD1 3.67Å; I423-L427 HydrophobicContact CG2-CG 4.44Å; I423-L427 WeakPolarHBondContact O-CB 3.17Å; I423-L427 VanDerWaalsContact O-CG 3.29Å; I423-L427 WeakPolarHBondContact O-CG 3.43Å; I423-L427 PolarHBondContact O-N 3.43Å; G424-L427 PolarHBondContact O-N 3.38Å; L427-L430 PolarHBondContact O-N 2.96Å; L427-C431 WeakPolarHBondContact O-CB 3.3Å; L427-C431 PolarHBondContact O-N 3.2Å; L427-F450 HydrophobicContact CD2-CD1 3.81Å; L427-F450 HydrophobicContact CD2-CE1 4.03Å; L427-I459 HydrophobicContact CD2-CD1 4.45Å; L427-I459 HydrophobicContact CD2-CG2 4.16Å; L427-I459 HydrophobicContact CG-CD1 4.23Å; L427-L575 HydrophobicContact CD1-CD2 3.29Å
428	L	92.7	Very high	94.1	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-45.8	170.3	-72.9	171.2	0	0	0	111.1	G424 E425 L430 C431 L432 F534 C572 F573 V583 L588	G424-L428 WeakPolarHBondContact O-CG 3.29Å; G424-L428 PolarHBondContact O-N 3.5Å; E425-L428 PolarHBondContact O-N 3.02Å; L428-L430 VanDerWaalsContact C-N 3.31Å; L428-L430 PolarHBondContact O-N 3.29Å; L428-C431 WeakPolarHBondContact O-CB 3.28Å; L428-C431 PolarHBondContact O-N 2.98Å; L428-L432 WeakPolarHBondContact O-CG 3.38Å; L428-L432 PolarHBondContact O-N 3.31Å; L428-F534 HydrophobicContact CD1-CE2 3.96Å; L428-F534 HydrophobicContact CD1-CZ 3.74Å; L428-C572 HydrophobicContact CD2-CB 4.04Å; L428-F573 HydrophobicContact CD2-CD2 4.08Å; L428-F573 HydrophobicContact CD2-CE2 4.03Å; L428-V583 HydrophobicContact CD1-CG1 4.22Å; L428-L588 HydrophobicContact CB-CD1 4.11Å
429	R	94.6	Very high	94.4	Very high	11 Å²	11	14.9 Å²	14.9	4%	0.042	7%	0.073	C	C	.	.	H	α-helix	trans	-56	-45	173.9	179.4	-172.5	103.3	-84.1	11.3	111.8	D381 F384 E425 H426 L432 K433 L588	D381-R429 VanDerWaalsContact CG-NH2 3.26Å; D381-R429 IonicContact OD1-NH2 2.64Å; D381-R429 PolarHBondContact OD1-NH2 3.21Å; D381-R429 IonicContact OD2-CZ 2.76Å; D381-R429 IonicContact OD2-NH2 3.08Å; D381-R429 PolarHBondContact OD2-NH2 3.46Å; F384-R429 VanDerWaalsContact CE2-NH1 3.32Å; E425-R429 WeakPolarHBondContact O-CB 3.39Å; E425-R429 PolarHBondContact O-N 3.47Å; H426-R429 VanDerWaalsContact CA-NH1 3.27Å; H426-R429 VanDerWaalsContact CG-NH1 3.31Å; H426-R429 PolarHBondContact ND1-NH1 3.41Å; H426-R429 WeakPolarHBondContact O-CB 3.43Å; H426-R429 PolarHBondContact O-N 3.25Å; H426-R429 PolarHBondContact O-NH1 3.05Å; R429-L432 PolarHBondContact O-N 2.98Å; R429-K433 HydrophobicContact CG-CD 4.28Å; R429-K433 WeakPolarHBondContact O-CG 3.43Å; R429-K433 PolarHBondContact O-N 3.47Å; R429-L588 HydrophobicContact CB-CD2 4.23Å
430	L	95.3	Very high	94.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-48	176.5	-180	63.9	0	0	0	111.1	L378 F384 H426 L427 L428 L432 K433 E434 F438 L461	L378-L430 HydrophobicContact CD1-CD1 4.42Å; L378-L430 HydrophobicContact CD2-CD1 4.08Å; F384-L430 HydrophobicContact CD1-CD2 4.09Å; F384-L430 HydrophobicContact CD2-CD1 4.14Å; F384-L430 HydrophobicContact CE1-CB 4.27Å; F384-L430 HydrophobicContact CE1-CD2 3.72Å; F384-L430 HydrophobicContact CE1-CG 4.5Å; F384-L430 HydrophobicContact CE2-CB 3.65Å; F384-L430 HydrophobicContact CE2-CD1 3.97Å; F384-L430 HydrophobicContact CE2-CD2 4.2Å; F384-L430 HydrophobicContact CE2-CG 4.15Å; F384-L430 HydrophobicContact CZ-CB 3.49Å; F384-L430 VanDerWaalsContact CZ-CB 3.49Å; F384-L430 HydrophobicContact CZ-CD1 4.39Å; F384-L430 HydrophobicContact CZ-CD2 3.8Å; F384-L430 HydrophobicContact CZ-CG 4.09Å; H426-L430 PolarHBondContact O-N 2.96Å; L427-L430 PolarHBondContact O-N 2.96Å; L428-L430 VanDerWaalsContact C-N 3.31Å; L428-L430 PolarHBondContact O-N 3.29Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 3.49Å; L430-K433 PolarHBondContact O-N 3.32Å; L430-K433 VanDerWaalsContact O-N 3.1Å; L430-E434 HydrophobicContact CD1-CG 4.1Å; L430-E434 HydrophobicContact CG-CG 4.15Å; L430-E434 WeakPolarHBondContact O-CB 3.48Å; L430-E434 VanDerWaalsContact O-CG 3.31Å; L430-E434 WeakPolarHBondContact O-CG 3.39Å; L430-E434 PolarHBondContact O-N 3.04Å; L430-F438 HydrophobicContact CD1-CE2 4.39Å; L430-L461 HydrophobicContact CD1-CD1 4.48Å; L430-L461 HydrophobicContact CD2-CD1 3.65Å; L430-L461 HydrophobicContact CD2-CD2 3.71Å; L430-L461 HydrophobicContact CD2-CG 4.34Å
431	C	94.2	Very high	94.7	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.02	7%	0.067	C	C	.	.	H	α-helix	trans	-55.7	-42.3	179.1	-170.8	0	0	0	0	111.9	L427 L428 L435 M441 M569	L427-C431 WeakPolarHBondContact O-CB 3.3Å; L427-C431 PolarHBondContact O-N 3.2Å; L428-C431 WeakPolarHBondContact O-CB 3.28Å; L428-C431 PolarHBondContact O-N 2.98Å; C431-L435 PolarHBondContact O-N 3Å; C431-M441 WeakPolarHBondContact O-CE 3.47Å; C431-M441 VanDerWaalsContact SG-CE 3.53Å; C431-M569 PolarHBondContact SG-SD 3.34Å
432	L	94.7	Very high	94.7	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-69.4	-43.4	175.7	-62	171.3	0	0	0	111.9	L428 R429 L430 L435 F436 F526 L588 F589 I592	L428-L432 WeakPolarHBondContact O-CG 3.38Å; L428-L432 PolarHBondContact O-N 3.31Å; R429-L432 PolarHBondContact O-N 2.98Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 3.49Å; L432-L435 PolarHBondContact O-N 3.31Å; L432-F436 HydrophobicContact CB-CD2 4.22Å; L432-F436 HydrophobicContact CD2-CD2 4.15Å; L432-F436 HydrophobicContact CD2-CE2 3.74Å; L432-F436 WeakPolarHBondContact O-CB 3.42Å; L432-F436 VanDerWaalsContact O-CD2 3.3Å; L432-F436 WeakPolarHBondContact O-CD2 3.45Å; L432-F436 PolarHBondContact O-N 2.82Å; L432-F526 HydrophobicContact CD1-CE1 4.22Å; L432-F526 HydrophobicContact CD2-CE1 4.2Å; L432-F526 HydrophobicContact CD2-CZ 4.2Å; L432-L588 HydrophobicContact CD1-CB 3.94Å; L432-F589 HydrophobicContact CD1-CB 4.43Å; L432-I592 HydrophobicContact CB-CD1 3.34Å; L432-I592 HydrophobicContact CD1-CD1 4.31Å; L432-I592 HydrophobicContact CG-CD1 4.45Å
433	K	95.6	Very high	94.5	Very high	47 Å²	47	11.7 Å²	11.7	20%	0.204	6%	0.059	C	C	.	.	H	α-helix	trans	-62.2	-43.6	177	-76.6	-178.1	68.1	177.3	0	112.4	D381 R429 L430 L435 V437 F438 I592	D381-K433 IonicContact OD2-NZ 2.71Å; D381-K433 PolarHBondContact OD2-NZ 2.95Å; R429-K433 HydrophobicContact CG-CD 4.28Å; R429-K433 WeakPolarHBondContact O-CG 3.43Å; R429-K433 PolarHBondContact O-N 3.47Å; L430-K433 PolarHBondContact O-N 3.32Å; L430-K433 VanDerWaalsContact O-N 3.1Å; K433-L435 VanDerWaalsContact C-N 3.27Å; K433-L435 PolarHBondContact O-N 3.05Å; K433-V437 HydrophobicContact CB-CB 4.49Å; K433-V437 HydrophobicContact CB-CG2 4.49Å; K433-V437 HydrophobicContact CG-CG2 4.33Å; K433-V437 CarbonylContact O-C 3.58Å; K433-V437 WeakPolarHBondContact O-CA 3.27Å; K433-V437 WeakPolarHBondContact O-CB 3.32Å; K433-V437 PolarHBondContact O-N 3.48Å; K433-F438 HydrophobicContact CB-CE2 4.1Å; K433-F438 HydrophobicContact CB-CZ 4.11Å; K433-F438 PolarHBondContact O-N 3.23Å; K433-I592 HydrophobicContact CG-CD1 4.35Å
434	E	96.3	Very high	94.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-51.8	-48	175.6	-80.6	-176.4	127.5	0	0	111.6	F374 L430 F438 H439 V440 M441 Q442 K568	F374-E434 HydrophobicContact CE1-CG 3.94Å; F374-E434 WeakPolarHBondContact CE1-OE1 3.29Å; F374-E434 HydrophobicContact CZ-CG 4.3Å; L430-E434 HydrophobicContact CD1-CG 4.1Å; L430-E434 HydrophobicContact CG-CG 4.15Å; L430-E434 WeakPolarHBondContact O-CB 3.48Å; L430-E434 VanDerWaalsContact O-CG 3.31Å; L430-E434 WeakPolarHBondContact O-CG 3.39Å; L430-E434 PolarHBondContact O-N 3.04Å; E434-F438 HydrophobicContact CG-CD2 4.24Å; E434-H439 PolarHBondContact O-N 3.26Å; E434-V440 CarbonylContact C-O 3.58Å; E434-V440 WeakPolarHBondContact CA-O 3.41Å; E434-V440 WeakPolarHBondContact CB-O 3.45Å; E434-V440 CarbonylContact O-C 3.47Å; E434-V440 PolarHBondContact O-N 2.99Å; E434-M441 HydrophobicContact CB-CB 3.98Å; E434-M441 HydrophobicContact CB-CE 4.09Å; E434-M441 HydrophobicContact CB-CG 3.91Å; E434-Q442 VanDerWaalsContact OE1-CB 3.31Å; E434-Q442 WeakPolarHBondContact OE1-CB 3.37Å; E434-Q442 PolarHBondContact OE1-N 2.86Å; E434-K568 IonicContact OE1-NZ 3.95Å; E434-K568 WeakPolarHBondContact OE2-CE 3.38Å; E434-K568 IonicContact OE2-NZ 3.9Å; E434-K568 PolarHBondContact OE2-NZ 3.05Å
435	L	95.2	Very high	93.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-77.8	-50.2	-177.8	-174.6	60.1	0	0	0	113	C431 L432 K433 H439 M441 Y470 V475 Y478 L565	C431-L435 PolarHBondContact O-N 3Å; L432-L435 PolarHBondContact O-N 3.31Å; K433-L435 VanDerWaalsContact C-N 3.27Å; K433-L435 PolarHBondContact O-N 3.05Å; L435-H439 PolarHBondContact O-CD2 3.38Å; L435-M441 HydrophobicContact CB-CE 3.95Å; L435-Y470 HydrophobicContact CD1-CD1 4.25Å; L435-Y470 HydrophobicContact CD1-CD2 3.86Å; L435-Y470 HydrophobicContact CD1-CE2 4.16Å; L435-Y470 HydrophobicContact CD1-CG 3.9Å; L435-V475 HydrophobicContact CD1-CG2 4.37Å; L435-V475 WeakPolarHBondContact O-CG1 3.35Å; L435-Y478 HydrophobicContact CD2-CD1 3.81Å; L435-Y478 HydrophobicContact CD2-CE1 3.91Å; L435-L565 HydrophobicContact CD1-CD1 3.91Å; L435-L565 HydrophobicContact CD2-CD1 3.52Å; L435-L565 HydrophobicContact CD2-CD2 4.3Å; L435-L565 HydrophobicContact CG-CD1 4.27Å
436	F	95.9	Very high	92.6	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-97.8	-14.2	-165.6	-60.6	-56.6	0	0	0	114.5	L432 V475 Y478 I479 I482 F589 I592 Y596	L432-F436 HydrophobicContact CB-CD2 4.22Å; L432-F436 HydrophobicContact CD2-CD2 4.15Å; L432-F436 HydrophobicContact CD2-CE2 3.74Å; L432-F436 WeakPolarHBondContact O-CB 3.42Å; L432-F436 VanDerWaalsContact O-CD2 3.3Å; L432-F436 WeakPolarHBondContact O-CD2 3.45Å; L432-F436 PolarHBondContact O-N 2.82Å; F436-V475 HydrophobicContact CD1-CG1 3.6Å; F436-V475 HydrophobicContact CE1-CG1 4.31Å; F436-Y478 HydrophobicContact CE1-CD1 4.02Å; F436-Y478 AromaticContact CZ-CD1 4Å; F436-Y478 HydrophobicContact CZ-CD1 4Å; F436-Y478 HydrophobicContact CZ-CE1 4.46Å; F436-I479 HydrophobicContact CB-CD1 4.33Å; F436-I479 HydrophobicContact CD1-CB 3.63Å; F436-I479 HydrophobicContact CD1-CD1 3.9Å; F436-I479 HydrophobicContact CD1-CG1 3.76Å; F436-I479 HydrophobicContact CE1-CB 3.41Å; F436-I479 VanDerWaalsContact CE1-CB 3.41Å; F436-I479 HydrophobicContact CE1-CD1 4.34Å; F436-I479 HydrophobicContact CE1-CG1 3.69Å; F436-I479 HydrophobicContact CE2-CG1 4.48Å; F436-I479 HydrophobicContact CG-CD1 4.02Å; F436-I479 HydrophobicContact CG-CG1 4.23Å; F436-I479 HydrophobicContact CZ-CB 4.16Å; F436-I479 HydrophobicContact CZ-CG1 4.05Å; F436-I482 HydrophobicContact CZ-CG1 4.21Å; F436-F589 HydrophobicContact CE2-CE2 4.43Å; F436-I592 HydrophobicContact CB-CG2 3.57Å; F436-I592 HydrophobicContact CD2-CG2 4.27Å; F436-I592 HydrophobicContact CG-CG2 4.21Å; F436-Y596 HydrophobicContact CB-CD2 4.39Å; F436-Y596 HydrophobicContact CB-CE2 4.13Å; F436-Y596 WeakPolarHBondContact O-CE2 3.17Å
437	V	95.3	Very high	91.9	Very high	77 Å²	77	17.1 Å²	17.1	47%	0.467	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-47.4	-179.7	-175.4	0	0	0	0	110.4	K433 I592	K433-V437 HydrophobicContact CB-CB 4.49Å; K433-V437 HydrophobicContact CB-CG2 4.49Å; K433-V437 HydrophobicContact CG-CG2 4.33Å; K433-V437 CarbonylContact O-C 3.58Å; K433-V437 WeakPolarHBondContact O-CA 3.27Å; K433-V437 WeakPolarHBondContact O-CB 3.32Å; K433-V437 PolarHBondContact O-N 3.48Å; V437-I592 HydrophobicContact CG2-CG2 4.46Å
438	F	95.9	Very high	91.4	Very high	19 Å²	19	19.4 Å²	19.4	8%	0.083	10%	0.103	C	C	.	.	S	Bend	trans	-85.7	-23.9	-176.5	-53	-23.7	0	0	0	112.6	F374 L377 L378 L430 K433 E434 V440	F374-F438 HydrophobicContact CE1-CD2 4.47Å; L377-F438 HydrophobicContact CB-CD1 4.35Å; L377-F438 HydrophobicContact CB-CD2 4.44Å; L377-F438 HydrophobicContact CB-CE1 4.21Å; L377-F438 HydrophobicContact CB-CE2 4.31Å; L377-F438 HydrophobicContact CB-CG 4.47Å; L377-F438 HydrophobicContact CB-CZ 4.18Å; L377-F438 HydrophobicContact CD1-CB 3.91Å; L377-F438 HydrophobicContact CD1-CD1 4.38Å; L377-F438 HydrophobicContact CD1-CD2 4.15Å; L377-F438 HydrophobicContact CD1-CG 3.92Å; L377-F438 HydrophobicContact CD2-CB 4.49Å; L377-F438 HydrophobicContact CD2-CD1 3.87Å; L377-F438 HydrophobicContact CD2-CE1 4.32Å; L377-F438 HydrophobicContact CD2-CG 4.24Å; L377-F438 HydrophobicContact CG-CD1 4.44Å; L377-F438 HydrophobicContact CG-CG 4.45Å; L378-F438 HydrophobicContact CD2-CE2 4.02Å; L378-F438 HydrophobicContact CD2-CZ 3.98Å; L430-F438 HydrophobicContact CD1-CE2 4.39Å; K433-F438 HydrophobicContact CB-CE2 4.1Å; K433-F438 HydrophobicContact CB-CZ 4.11Å; K433-F438 PolarHBondContact O-N 3.23Å; E434-F438 HydrophobicContact CG-CD2 4.24Å; F438-V440 HydrophobicContact CB-CG1 3.81Å; F438-V440 PolarHBondContact O-N 3.47Å; F438-V440 VanDerWaalsContact O-N 3.08Å
439	H	96	Very high	91.2	Very high	48 Å²	48	19.7 Å²	19.7	22%	0.222	10%	0.104	C	C	.	.	S	Bend	trans	51.7	23.8	-169.4	-48.9	150.2	0	0	0	113	E434 L435 E469 Y470	E434-H439 PolarHBondContact O-N 3.26Å; L435-H439 PolarHBondContact O-CD2 3.38Å; H439-E469 WeakPolarHBondContact O-CA 3.39Å; H439-Y470 PolarHBondContact O-N 2.8Å
440	V	96.4	Very high	91.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129.2	176.3	61.3	0	0	0	0	107.8	Y370 F374 L377 E434 F438 R468 E469	Y370-V440 HydrophobicContact CD1-CG2 3.9Å; Y370-V440 HydrophobicContact CE1-CG2 3.73Å; F374-V440 HydrophobicContact CE2-CG1 4.41Å; F374-V440 HydrophobicContact CE2-CG2 4.1Å; F374-V440 HydrophobicContact CZ-CG1 4.31Å; F374-V440 HydrophobicContact CZ-CG2 4.43Å; L377-V440 HydrophobicContact CD1-CG1 3.74Å; E434-V440 CarbonylContact C-O 3.58Å; E434-V440 WeakPolarHBondContact CA-O 3.41Å; E434-V440 WeakPolarHBondContact CB-O 3.45Å; E434-V440 CarbonylContact O-C 3.47Å; E434-V440 PolarHBondContact O-N 2.99Å; F438-V440 HydrophobicContact CB-CG1 3.81Å; F438-V440 PolarHBondContact O-N 3.47Å; F438-V440 VanDerWaalsContact O-N 3.08Å; V440-R468 CarbonylContact C-O 3.58Å; V440-R468 VanDerWaalsContact CA-O 3.32Å; V440-R468 WeakPolarHBondContact CA-O 3.45Å; V440-E469 HydrophobicContact CB-CG 4.25Å; V440-E469 HydrophobicContact CG2-CG 4.05Å
441	M	95.1	Very high	90.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.8	-171.9	-174.2	176.7	-113.2	0	0	110.6	C431 E434 L435 T443 S467 R468 Y470 L565 K568	C431-M441 WeakPolarHBondContact O-CE 3.47Å; C431-M441 VanDerWaalsContact SG-CE 3.53Å; E434-M441 HydrophobicContact CB-CB 3.98Å; E434-M441 HydrophobicContact CB-CE 4.09Å; E434-M441 HydrophobicContact CB-CG 3.91Å; L435-M441 HydrophobicContact CB-CE 3.95Å; M441-T443 HydrophobicContact CB-CG2 4.16Å; M441-T443 HydrophobicContact CG-CG2 4.16Å; M441-T443 WeakPolarHBondContact O-CG2 3.25Å; M441-T443 PolarHBondContact O-N 3.41Å; M441-T443 HydrophobicContact SD-CG2 4.46Å; M441-S467 CarbonylContact O-C 3.58Å; M441-S467 VanDerWaalsContact O-CA 3.27Å; M441-S467 WeakPolarHBondContact O-CA 3.46Å; M441-R468 PolarHBondContact N-O 2.76Å; M441-R468 PolarHBondContact O-N 3.31Å; M441-Y470 HydrophobicContact CB-CE2 3.76Å; M441-Y470 HydrophobicContact SD-CE2 4.5Å; M441-L565 HydrophobicContact CE-CD1 4.29Å; M441-L565 HydrophobicContact SD-CD1 3.91Å; M441-K568 HydrophobicContact CE-CB 4.45Å; M441-K568 HydrophobicContact CE-CG 3.75Å; M441-K568 HydrophobicContact CG-CG 3.95Å; M441-K568 HydrophobicContact SD-CB 3.81Å; M441-K568 HydrophobicContact SD-CG 3.57Å; M441-K568 VanDerWaalsContact SD-CG 3.57Å
442	Q	93.5	Very high	90.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	106.7	161.9	-174.7	-171.2	-10.4	0	0	108.2	F374 E434 L462 D463 K568	F374-Q442 HydrophobicContact CZ-CB 4.45Å; E434-Q442 VanDerWaalsContact OE1-CB 3.31Å; E434-Q442 WeakPolarHBondContact OE1-CB 3.37Å; E434-Q442 PolarHBondContact OE1-N 2.86Å; Q442-L462 PolarHBondContact NE2-O 3.09Å; Q442-D463 PolarHBondContact NE2-O 3.21Å; Q442-K568 WeakPolarHBondContact O-CD 3.34Å; Q442-K568 PolarHBondContact O-NZ 2.78Å
443	T	88.7	Confident	90.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.11	C	C	.	.			trans	-94.3	-1.8	-168.3	71.4	0	0	0	0	115.2	M441 P445 A466 R468 R567	M441-T443 HydrophobicContact CB-CG2 4.16Å; M441-T443 HydrophobicContact CG-CG2 4.16Å; M441-T443 WeakPolarHBondContact O-CG2 3.25Å; M441-T443 PolarHBondContact O-N 3.41Å; M441-T443 HydrophobicContact SD-CG2 4.46Å; T443-P445 WeakPolarHBondContact O-CD 3.02Å; T443-A466 WeakPolarHBondContact CB-O 3.43Å; T443-A466 PolarHBondContact N-O 3.42Å; T443-A466 PolarHBondContact OG1-O 3.34Å; T443-R468 HydrophobicContact CG2-CB 3.92Å; T443-R567 PolarHBondContact O-NE 3.15Å; T443-R567 PolarHBondContact OG1-NH2 3.37Å
444	D	85.6	Confident	90.4	Very high	30 Å²	30	18.4 Å²	18.4	16%	0.16	10%	0.1	C	C	.	.			trans	-89.7	105.9	171.5	-175.8	9.3	0	0	0	109.7	N446 N449 A466	D444-N446 PolarHBondContact O-N 3.3Å; D444-N446 WeakPolarHBondContact OD1-CB 3.29Å; D444-N446 PolarHBondContact OD1-N 3.41Å; D444-N449 PolarHBondContact OD2-ND2 3.42Å; D444-A466 HydrophobicContact CB-CB 3.81Å
445	P	73.6	Confident	89.9	Confident	20 Å²	20	23.2 Å²	23.2	13%	0.13	12%	0.122	C	C	.	.			trans	-80.3	14.2	178.6	37.9	-40	0	0	0	112.4	T443 W447 R567 K568	T443-P445 WeakPolarHBondContact O-CD 3.02Å; P445-W447 PolarHBondContact O-N 3.09Å; P445-R567 HydrophobicContact CG-CG 4.03Å; P445-K568 HydrophobicContact CB-CD 4.32Å
446	N	81.5	Confident	89.6	Confident	38 Å²	38	26.2 Å²	26.2	20%	0.203	14%	0.141	C	C	.	.			trans	-58.8	124.6	179.4	-173.4	11.7	0	0	0	111	R257 D444 S448 N449 F450	R257-N446 PolarHBondContact NH2-OD1 2.96Å; R257-N446 VanDerWaalsContact NH2-OD1 3.16Å; D444-N446 PolarHBondContact O-N 3.3Å; D444-N446 WeakPolarHBondContact OD1-CB 3.29Å; D444-N446 PolarHBondContact OD1-N 3.41Å; N446-S448 VanDerWaalsContact CG-OG 3.27Å; N446-S448 PolarHBondContact ND2-OG 2.88Å; N446-S448 PolarHBondContact O-N 2.91Å; N446-S448 PolarHBondContact OD1-OG 3.44Å; N446-N449 WeakPolarHBondContact O-CB 3.14Å; N446-N449 PolarHBondContact O-N 3.46Å; N446-F450 WeakPolarHBondContact O-CD2 3.37Å
447	W	81	Confident	89.2	Confident	44 Å²	44	26 Å²	26	17%	0.167	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-68.2	-21.9	-170.3	-59	-14.5	0	0	0	113.8	L409 P445 N449 F450 L575 K578	L409-W447 HydrophobicContact CB-CB 4.26Å; P445-W447 PolarHBondContact O-N 3.09Å; W447-N449 PolarHBondContact O-N 2.6Å; W447-F450 PolarHBondContact O-N 3Å; W447-F450 VanDerWaalsContact O-O 3.14Å; W447-L575 HydrophobicContact CD2-CD1 3.77Å; W447-L575 HydrophobicContact CG-CD1 3.87Å; W447-L575 HydrophobicContact CZ2-CB 4.1Å; W447-L575 HydrophobicContact CZ2-CD1 4.15Å; W447-K578 HydrophobicContact CE3-CD 3.96Å; W447-K578 HydrophobicContact CH2-CB 3.74Å; W447-K578 HydrophobicContact CH2-CD 3.19Å; W447-K578 HydrophobicContact CH2-CG 4.08Å; W447-K578 HydrophobicContact CZ2-CB 4.37Å; W447-K578 HydrophobicContact CZ2-CD 4.37Å; W447-K578 HydrophobicContact CZ3-CB 4.37Å; W447-K578 HydrophobicContact CZ3-CD 2.97Å; W447-K578 HydrophobicContact CZ3-CG 4.24Å; W447-K578 VanDerWaalsContact CZ3-NZ 3.31Å
448	S	81.7	Confident	89.1	Confident	53 Å²	53	25.4 Å²	25.4	37%	0.371	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-63.2	-17.7	170.5	61.2	0	0	0	0	113.3	N446 F450	N446-S448 VanDerWaalsContact CG-OG 3.27Å; N446-S448 PolarHBondContact ND2-OG 2.88Å; N446-S448 PolarHBondContact O-N 2.91Å; N446-S448 PolarHBondContact OD1-OG 3.44Å; S448-F450 PolarHBondContact O-N 2.58Å
449	N	88.6	Confident	89	Confident	12 Å²	12	24.5 Å²	24.5	6%	0.064	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-84.7	1.3	179.4	-58.8	-10.1	0	0	0	112.4	D444 N446 W447 L462 D463	D444-N449 PolarHBondContact OD2-ND2 3.42Å; N446-N449 WeakPolarHBondContact O-CB 3.14Å; N446-N449 PolarHBondContact O-N 3.46Å; W447-N449 PolarHBondContact O-N 2.6Å; N449-L462 WeakPolarHBondContact CB-O 3.35Å; N449-L462 WeakPolarHBondContact O-CB 3.33Å; N449-L462 PolarHBondContact O-N 3.47Å; N449-D463 HydrophobicContact CB-CB 4.43Å
450	F	92	Very high	89	Confident	6 Å²	6	22.2 Å²	22.2	3%	0.026	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.9	178.7	-55.5	-88.5	0	0	0	109	L409 L427 N446 W447 S448 V460 L461	L409-F450 HydrophobicContact CD1-CB 3.37Å; L409-F450 HydrophobicContact CD1-CD2 4.28Å; L409-F450 HydrophobicContact CD1-CG 3.95Å; L409-F450 HydrophobicContact CD2-CB 4.49Å; L409-F450 HydrophobicContact CG-CB 3.63Å; L409-F450 PolarHBondContact N-O 2.91Å; L427-F450 HydrophobicContact CD2-CD1 3.81Å; L427-F450 HydrophobicContact CD2-CE1 4.03Å; N446-F450 WeakPolarHBondContact O-CD2 3.37Å; W447-F450 PolarHBondContact O-N 3Å; W447-F450 VanDerWaalsContact O-O 3.14Å; S448-F450 PolarHBondContact O-N 2.58Å; F450-V460 WeakPolarHBondContact CA-O 3.38Å; F450-L461 HydrophobicContact CD1-CD2 3.56Å; F450-L461 HydrophobicContact CE1-CD2 3.73Å
451	L	92.7	Very high	89	Confident	17 Å²	17	22.2 Å²	22.2	9%	0.089	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.1	172.1	-50.4	176.7	0	0	0	109.3	M404 L407 V408 I459 V460 L462	M404-L451 HydrophobicContact CB-CD1 4.18Å; L407-L451 CarbonylContact O-C 3.53Å; L407-L451 VanDerWaalsContact O-CA 3.27Å; L407-L451 WeakPolarHBondContact O-CA 3.41Å; V408-L451 HydrophobicContact CB-CD2 4.38Å; V408-L451 HydrophobicContact CG1-CD2 3.59Å; L451-I459 CarbonylContact O-C 3.5Å; L451-I459 WeakPolarHBondContact O-CA 2.82Å; L451-V460 HydrophobicContact CB-CB 4.08Å; L451-V460 HydrophobicContact CB-CG2 4.49Å; L451-V460 PolarHBondContact N-O 2.94Å; L451-V460 PolarHBondContact O-N 3.39Å; L451-L462 HydrophobicContact CD1-CD1 3.79Å; L451-L462 HydrophobicContact CD2-CD1 4.37Å; L451-L462 HydrophobicContact CG-CD1 3.79Å
452	Y	93.4	Very high	88.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.9	166.4	172.5	-114.8	0	0	0	109	L140 G406 L407 L415 V419 W422 I423 P454 I459	L140-Y452 PolarHBondContact O-OH 2.74Å; G406-Y452 CarbonylContact C-O 3.57Å; G406-Y452 WeakPolarHBondContact CA-O 3.07Å; L407-Y452 PolarHBondContact N-O 3.27Å; L407-Y452 PolarHBondContact O-N 3.41Å; L415-Y452 HydrophobicContact CD1-CD1 3.67Å; L415-Y452 HydrophobicContact CD1-CE1 3.73Å; V419-Y452 HydrophobicContact CG1-CE1 3.71Å; W422-Y452 HydrophobicContact CE3-CE2 4.4Å; W422-Y452 HydrophobicContact CZ3-CD2 4.26Å; W422-Y452 AromaticContact CZ3-CE2 3.89Å; W422-Y452 HydrophobicContact CZ3-CE2 3.89Å; I423-Y452 HydrophobicContact CD1-CD1 3.92Å; I423-Y452 HydrophobicContact CD1-CD2 4.12Å; I423-Y452 HydrophobicContact CD1-CE1 4.37Å; I423-Y452 HydrophobicContact CD1-CG 3.77Å; I423-Y452 HydrophobicContact CG1-CD2 4.2Å; I423-Y452 HydrophobicContact CG1-CG 4.34Å; Y452-P454 HydrophobicContact CD1-CB 4.46Å; Y452-P454 HydrophobicContact CD1-CG 3.95Å; Y452-P454 HydrophobicContact CE1-CB 3.81Å; Y452-P454 HydrophobicContact CE1-CG 3.78Å; Y452-P454 VanDerWaalsContact O-CD 3.31Å; Y452-P454 WeakPolarHBondContact O-CD 3.5Å; Y452-I459 HydrophobicContact CD2-CG1 4.24Å
453	N	92	Very high	88.7	Confident	16 Å²	16	26.2 Å²	26.2	9%	0.086	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	107	172.9	-175.2	-40.4	0	0	0	109	N405 Q455 T456 G457 K458	N405-N453 PolarHBondContact O-ND2 2.75Å; N453-Q455 VanDerWaalsContact C-N 3.25Å; N453-Q455 PolarHBondContact O-N 3.12Å; N453-Q455 WeakPolarHBondContact OD1-CB 3.49Å; N453-Q455 PolarHBondContact OD1-N 3.32Å; N453-T456 WeakPolarHBondContact CB-OG1 3.34Å; N453-T456 VanDerWaalsContact CG-OG1 3.31Å; N453-T456 PolarHBondContact OD1-N 2.93Å; N453-T456 VanDerWaalsContact OD1-N 3.11Å; N453-T456 PolarHBondContact OD1-OG1 2.95Å; N453-G457 VanDerWaalsContact O-CA 3.27Å; N453-G457 WeakPolarHBondContact O-CA 3.15Å; N453-G457 PolarHBondContact O-N 2.81Å; N453-K458 PolarHBondContact N-O 2.87Å; N453-K458 PolarHBondContact O-N 3.49Å
454	P	87.5	Confident	89	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22	-176	-15.8	30.5	0	0	0	113.6	L142 Y145 L407 Y452	L142-P454 CarbonylContact C-O 3.57Å; L142-P454 HydrophobicContact CB-CB 3.85Å; L142-P454 HydrophobicContact CD1-CB 4.3Å; L142-P454 HydrophobicContact CG-CB 4.42Å; L142-P454 PolarHBondContact N-O 3.07Å; Y145-P454 HydrophobicContact CD1-CB 4.49Å; Y145-P454 HydrophobicContact CD1-CG 3.95Å; Y145-P454 HydrophobicContact CG-CB 4.32Å; Y145-P454 HydrophobicContact CG-CG 4.26Å; L407-P454 HydrophobicContact CD1-CG 3.64Å; L407-P454 HydrophobicContact CG-CG 4.06Å; Y452-P454 HydrophobicContact CD1-CB 4.46Å; Y452-P454 HydrophobicContact CD1-CG 3.95Å; Y452-P454 HydrophobicContact CE1-CB 3.81Å; Y452-P454 HydrophobicContact CE1-CG 3.78Å; Y452-P454 VanDerWaalsContact O-CD 3.31Å; Y452-P454 WeakPolarHBondContact O-CD 3.5Å
455	Q	87.1	Confident	89.1	Confident	100 Å²	100	25.5 Å²	25.5	47%	0.467	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-39.1	-178.6	-62.6	175.2	-12.3	0	0	111.7	I147 N453	I147-Q455 HydrophobicContact CD1-CG 4.07Å; N453-Q455 VanDerWaalsContact C-N 3.25Å; N453-Q455 PolarHBondContact O-N 3.12Å; N453-Q455 WeakPolarHBondContact OD1-CB 3.49Å; N453-Q455 PolarHBondContact OD1-N 3.32Å
456	T	87.8	Confident	89.8	Confident	64 Å²	64	25 Å²	25	39%	0.393	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-16.5	176.4	64.7	0	0	0	0	112.7	L141 N453 K458	L141-T456 WeakPolarHBondContact CD2-O 3.21Å; N453-T456 WeakPolarHBondContact CB-OG1 3.34Å; N453-T456 VanDerWaalsContact CG-OG1 3.31Å; N453-T456 PolarHBondContact OD1-N 2.93Å; N453-T456 VanDerWaalsContact OD1-N 3.11Å; N453-T456 PolarHBondContact OD1-OG1 2.95Å; T456-K458 PolarHBondContact O-N 2.88Å; T456-K458 PolarHBondContact OG1-N 2.89Å
457	G	88	Confident	90.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	26.7	-174.1	0	0	0	0	0	112.9	P139 W422 N453	P139-G457 VanDerWaalsContact CB-O 3.26Å; P139-G457 WeakPolarHBondContact CB-O 3.4Å; W422-G457 WeakPolarHBondContact CH2-O 3.41Å; N453-G457 VanDerWaalsContact O-CA 3.27Å; N453-G457 WeakPolarHBondContact O-CA 3.15Å; N453-G457 PolarHBondContact O-N 2.81Å
458	K	92.8	Very high	90.9	Very high	66 Å²	66	23.5 Å²	23.5	29%	0.287	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.3	179.2	-65	-159.1	173.7	-162.3	0	112	V383 Q385 N453 T456	V383-K458 CarbonylContact O-C 3.47Å; V383-K458 VanDerWaalsContact O-CA 3.27Å; V383-K458 WeakPolarHBondContact O-CA 3.48Å; Q385-K458 HydrophobicContact CB-CB 4.39Å; Q385-K458 HydrophobicContact CB-CD 3.99Å; N453-K458 PolarHBondContact N-O 2.87Å; N453-K458 PolarHBondContact O-N 3.49Å; T456-K458 PolarHBondContact O-N 2.88Å; T456-K458 PolarHBondContact OG1-N 2.89Å
459	I	94.8	Very high	91.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114	168.5	-57.2	173.9	0	0	0	107.6	V383 F384 Q385 W422 I423 H426 L427 L451 Y452 L461	V383-I459 HydrophobicContact CG1-CD1 4.14Å; V383-I459 HydrophobicContact CG1-CG1 4.38Å; V383-I459 PolarHBondContact O-N 2.9Å; F384-I459 CarbonylContact C-O 3.46Å; F384-I459 WeakPolarHBondContact CA-O 3.18Å; F384-I459 HydrophobicContact CD1-CB 3.81Å; F384-I459 HydrophobicContact CD1-CG2 4.14Å; F384-I459 HydrophobicContact CE1-CB 3.81Å; F384-I459 HydrophobicContact CE1-CD1 4.02Å; F384-I459 HydrophobicContact CE1-CG1 4.47Å; F384-I459 HydrophobicContact CE1-CG2 3.98Å; Q385-I459 PolarHBondContact N-O 3.26Å; W422-I459 HydrophobicContact CH2-CD1 4.49Å; W422-I459 HydrophobicContact CH2-CG1 4.4Å; W422-I459 HydrophobicContact CZ3-CD1 3.88Å; W422-I459 HydrophobicContact CZ3-CG1 3.9Å; I423-I459 HydrophobicContact CG2-CD1 4.32Å; H426-I459 HydrophobicContact CB-CD1 4.33Å; L427-I459 HydrophobicContact CD2-CD1 4.45Å; L427-I459 HydrophobicContact CD2-CG2 4.16Å; L427-I459 HydrophobicContact CG-CD1 4.23Å; L451-I459 CarbonylContact O-C 3.5Å; L451-I459 WeakPolarHBondContact O-CA 2.82Å; Y452-I459 HydrophobicContact CD2-CG1 4.24Å; I459-L461 HydrophobicContact CG2-CD2 4.26Å
460	V	95.3	Very high	91.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.3	175.1	-176.8	0	0	0	0	109.3	Q385 M404 F450 L451 L462	Q385-V460 HydrophobicContact CB-CG2 4.36Å; Q385-V460 CarbonylContact O-C 3.44Å; Q385-V460 VanDerWaalsContact O-CA 3.26Å; Q385-V460 WeakPolarHBondContact O-CA 3.39Å; M404-V460 HydrophobicContact CB-CG1 3.76Å; M404-V460 HydrophobicContact CB-CG2 4.41Å; M404-V460 HydrophobicContact CE-CB 4.47Å; M404-V460 HydrophobicContact CE-CG1 3.82Å; M404-V460 HydrophobicContact CE-CG2 3.78Å; M404-V460 HydrophobicContact CG-CG1 3.67Å; F450-V460 WeakPolarHBondContact CA-O 3.38Å; L451-V460 HydrophobicContact CB-CB 4.08Å; L451-V460 HydrophobicContact CB-CG2 4.49Å; L451-V460 PolarHBondContact N-O 2.94Å; L451-V460 PolarHBondContact O-N 3.39Å; V460-L462 HydrophobicContact CG1-CD2 3.72Å; V460-L462 HydrophobicContact CG1-CG 4.23Å
461	L	96	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.4	173.4	-49.3	-177	0	0	0	109.2	L378 F384 Q385 V386 P387 L430 F450 I459 F464	L378-L461 HydrophobicContact CD1-CD1 3.56Å; F384-L461 HydrophobicContact CD1-CD1 4.34Å; F384-L461 HydrophobicContact CD1-CD2 3.86Å; F384-L461 HydrophobicContact CD1-CG 4.19Å; F384-L461 HydrophobicContact CE1-CD2 4.22Å; Q385-L461 PolarHBondContact O-N 3.23Å; V386-L461 HydrophobicContact CG2-CB 4.45Å; V386-L461 HydrophobicContact CG2-CD1 4.45Å; P387-L461 WeakPolarHBondContact CD-O 3.32Å; L430-L461 HydrophobicContact CD1-CD1 4.48Å; L430-L461 HydrophobicContact CD2-CD1 3.65Å; L430-L461 HydrophobicContact CD2-CD2 3.71Å; L430-L461 HydrophobicContact CD2-CG 4.34Å; F450-L461 HydrophobicContact CD1-CD2 3.56Å; F450-L461 HydrophobicContact CE1-CD2 3.73Å; I459-L461 HydrophobicContact CG2-CD2 4.26Å; L461-F464 HydrophobicContact CB-CE1 4.38Å; L461-F464 HydrophobicContact CB-CZ 3.86Å
462	L	93.5	Very high	92	Very high	43 Å²	43	30.7 Å²	30.7	23%	0.225	16%	0.159	C	C	.	.			trans	-120.5	165.9	178.3	-54.9	178.5	0	0	0	110	P387 M404 Q442 N449 L451 V460	P387-L462 HydrophobicContact CG-CD2 4.02Å; M404-L462 HydrophobicContact CB-CD2 4.37Å; M404-L462 HydrophobicContact CG-CD2 4.15Å; Q442-L462 PolarHBondContact NE2-O 3.09Å; N449-L462 WeakPolarHBondContact CB-O 3.35Å; N449-L462 WeakPolarHBondContact O-CB 3.33Å; N449-L462 PolarHBondContact O-N 3.47Å; L451-L462 HydrophobicContact CD1-CD1 3.79Å; L451-L462 HydrophobicContact CD2-CD1 4.37Å; L451-L462 HydrophobicContact CG-CD1 3.79Å; V460-L462 HydrophobicContact CG1-CD2 3.72Å; V460-L462 HydrophobicContact CG1-CG 4.23Å
463	D	89.3	Confident	92	Very high	40 Å²	40	34.3 Å²	34.3	21%	0.214	18%	0.184	C	C	.	.			trans	50.6	93.1	175.9	-156.8	-36.6	0	0	0	114.3	K314 Q442 N449 G465	K314-D463 VanDerWaalsContact NZ-CG 3.32Å; K314-D463 IonicContact NZ-OD1 3.18Å; K314-D463 PolarHBondContact NZ-OD1 3.28Å; K314-D463 IonicContact NZ-OD2 2.86Å; K314-D463 PolarHBondContact NZ-OD2 3.22Å; Q442-D463 PolarHBondContact NE2-O 3.21Å; N449-D463 HydrophobicContact CB-CB 4.43Å; D463-G465 PolarHBondContact OD1-N 3Å
464	F	93.8	Very high	92.1	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.039	18%	0.183	C	C	.	.			trans	-96.8	10	176.5	-62.3	-83.5	0	0	0	112.3	E367 F374 V386 L461 A466 S467	E367-F464 HydrophobicContact CG-CB 4.09Å; F374-F464 HydrophobicContact CB-CD1 4.36Å; F374-F464 HydrophobicContact CB-CE1 3.68Å; F374-F464 HydrophobicContact CB-CZ 4.07Å; F374-F464 HydrophobicContact CD1-CE1 4.15Å; F374-F464 AromaticContact CD2-CD1 3.5Å; F374-F464 HydrophobicContact CD2-CD1 3.5Å; F374-F464 AromaticContact CD2-CE1 3.55Å; F374-F464 HydrophobicContact CD2-CE1 3.55Å; F374-F464 AromaticContact CE2-CD1 3.96Å; F374-F464 HydrophobicContact CE2-CD1 3.96Å; F374-F464 HydrophobicContact CE2-CE1 4.2Å; F374-F464 HydrophobicContact CG-CD1 4Å; F374-F464 AromaticContact CG-CE1 3.52Å; F374-F464 HydrophobicContact CG-CE1 3.52Å; F374-F464 HydrophobicContact CG-CZ 4.38Å; V386-F464 HydrophobicContact CB-CZ 4.48Å; V386-F464 HydrophobicContact CG1-CE2 3.65Å; V386-F464 HydrophobicContact CG1-CZ 3.62Å; V386-F464 HydrophobicContact CG2-CZ 4.11Å; L461-F464 HydrophobicContact CB-CE1 4.38Å; L461-F464 HydrophobicContact CB-CZ 3.86Å; F464-A466 PolarHBondContact O-N 2.93Å; F464-S467 VanDerWaalsContact O-CB 3.27Å; F464-S467 WeakPolarHBondContact O-CB 3.39Å; F464-S467 PolarHBondContact O-N 2.91Å; F464-S467 PolarHBondContact O-OG 2.99Å
465	G	89.1	Confident	92.5	Very high	7 Å²	7	34.3 Å²	34.3	7%	0.072	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.4	-173.4	0	0	0	0	0	113.1	E361 D463	E361-G465 WeakPolarHBondContact CG-O 3.36Å; D463-G465 PolarHBondContact OD1-N 3Å
466	A	88.6	Confident	92.9	Very high	10 Å²	10	29.8 Å²	29.8	8%	0.083	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	36.7	173.9	0	0	0	0	0	112.6	T443 D444 F464	T443-A466 WeakPolarHBondContact CB-O 3.43Å; T443-A466 PolarHBondContact N-O 3.42Å; T443-A466 PolarHBondContact OG1-O 3.34Å; D444-A466 HydrophobicContact CB-CB 3.81Å; F464-A466 PolarHBondContact O-N 2.93Å
467	S	93.7	Very high	93.2	Very high	14 Å²	14	28 Å²	28	10%	0.098	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144	173.8	-58.4	0	0	0	0	111.6	Y370 M441 F464	Y370-S467 VanDerWaalsContact CG-CB 3.48Å; M441-S467 CarbonylContact O-C 3.58Å; M441-S467 VanDerWaalsContact O-CA 3.27Å; M441-S467 WeakPolarHBondContact O-CA 3.46Å; F464-S467 VanDerWaalsContact O-CB 3.27Å; F464-S467 WeakPolarHBondContact O-CB 3.39Å; F464-S467 PolarHBondContact O-N 2.91Å; F464-S467 PolarHBondContact O-OG 2.99Å
468	R	92.3	Very high	93.6	Very high	36 Å²	36	28.6 Å²	28.6	14%	0.136	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.2	-179	-173.3	176.9	-177.6	116	5.1	111.1	V440 M441 T443 Y470 E560 E561	V440-R468 CarbonylContact C-O 3.58Å; V440-R468 VanDerWaalsContact CA-O 3.32Å; V440-R468 WeakPolarHBondContact CA-O 3.45Å; M441-R468 PolarHBondContact N-O 2.76Å; M441-R468 PolarHBondContact O-N 3.31Å; T443-R468 HydrophobicContact CG2-CB 3.92Å; R468-Y470 HydrophobicContact CB-CE2 4.34Å; R468-Y470 HydrophobicContact CG-CE2 4.46Å; R468-E560 IonicContact CZ-OE1 2.68Å; R468-E560 IonicContact NH1-OE1 2.89Å; R468-E560 PolarHBondContact NH1-OE1 3.22Å; R468-E560 IonicContact NH2-OE1 2.71Å; R468-E560 PolarHBondContact NH2-OE1 3.48Å; R468-E561 IonicContact NH2-OE1 3.23Å
469	E	94.4	Very high	93.7	Very high	104 Å²	104	25.4 Å²	25.4	49%	0.486	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.4	171.4	-61	-175.2	-159.3	0	0	111.1	Y370 R373 H439 V440	Y370-E469 HydrophobicContact CE1-CG 4.18Å; R373-E469 IonicContact NH1-OE1 3.8Å; R373-E469 PolarHBondContact NH1-OE1 2.66Å; R373-E469 IonicContact NH1-OE2 2.7Å; H439-E469 WeakPolarHBondContact O-CA 3.39Å; V440-E469 HydrophobicContact CB-CG 4.25Å; V440-E469 HydrophobicContact CG2-CG 4.05Å
470	Y	94.7	Very high	93.7	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.047	15%	0.151	C	C	.	.			trans	-118	138.3	177.6	-62.3	-91.9	0	0	0	109.6	L435 H439 M441 R468 F474 E561 L565	L435-Y470 HydrophobicContact CD1-CD1 4.25Å; L435-Y470 HydrophobicContact CD1-CD2 3.86Å; L435-Y470 HydrophobicContact CD1-CE2 4.16Å; L435-Y470 HydrophobicContact CD1-CG 3.9Å; H439-Y470 PolarHBondContact O-N 2.8Å; M441-Y470 HydrophobicContact CB-CE2 3.76Å; M441-Y470 HydrophobicContact SD-CE2 4.5Å; R468-Y470 HydrophobicContact CB-CE2 4.34Å; R468-Y470 HydrophobicContact CG-CE2 4.46Å; Y470-F474 AromaticContact CD1-CD1 3.77Å; Y470-F474 HydrophobicContact CD1-CD1 3.77Å; Y470-F474 AromaticContact CD1-CE1 3.64Å; Y470-F474 HydrophobicContact CD1-CE1 3.64Å; Y470-F474 HydrophobicContact CD1-CZ 4.47Å; Y470-F474 HydrophobicContact CE1-CE1 4.19Å; Y470-F474 HydrophobicContact CG-CD1 4.36Å; Y470-F474 HydrophobicContact CG-CE1 4.5Å; Y470-E561 HydrophobicContact CD1-CB 4.13Å; Y470-E561 HydrophobicContact CD1-CG 4.14Å; Y470-E561 HydrophobicContact CE1-CB 3.94Å; Y470-E561 HydrophobicContact CE1-CG 4.36Å; Y470-L565 HydrophobicContact CE1-CB 4.09Å; Y470-L565 PolarHBondContact OH-N 3.47Å
471	S	94.1	Very high	93.7	Very high	63 Å²	63	28.5 Å²	28.5	44%	0.441	15%	0.152	S	C	.	.			trans	-67.8	146.6	176.8	68.4	0	0	0	0	110.3	S473 F474 V475	S471-S473 PolarHBondContact O-N 3.19Å; S471-S473 PolarHBondContact OG-OG 3.42Å; S471-F474 WeakPolarHBondContact O-CB 3.42Å; S471-F474 PolarHBondContact O-N 2.88Å; S471-F474 WeakPolarHBondContact OG-CB 3.4Å; S471-F474 PolarHBondContact OG-N 2.73Å; S471-V475 WeakPolarHBondContact O-CG2 3.31Å; S471-V475 PolarHBondContact O-N 2.94Å
472	K	93.5	Very high	93.6	Very high	60 Å²	60	29.3 Å²	29.3	26%	0.261	16%	0.156	S	C	.	.	H	α-helix	trans	-54	-41.7	176.4	-178.9	56.3	171.3	154.5	0	112.3	F474 V475 D476 Y596 Q597	K472-F474 PolarHBondContact O-N 3.01Å; K472-V475 PolarHBondContact O-N 3.38Å; K472-D476 WeakPolarHBondContact CD-OD1 3.4Å; K472-D476 WeakPolarHBondContact CE-OD1 3.5Å; K472-D476 IonicContact NZ-OD1 3.53Å; K472-D476 PolarHBondContact NZ-OD1 2.99Å; K472-D476 WeakPolarHBondContact O-CB 3.4Å; K472-D476 VanDerWaalsContact O-CG 3.3Å; K472-D476 PolarHBondContact O-N 3.43Å; K472-Y596 VanDerWaalsContact NZ-CE1 3.35Å; K472-Y596 PolarHBondContact NZ-OH 3.27Å; K472-Q597 VanDerWaalsContact CE-O 3.26Å; K472-Q597 WeakPolarHBondContact CE-O 3.47Å; K472-Q597 PolarHBondContact NZ-O 3.41Å
473	S	93.2	Very high	93.6	Very high	76 Å²	76	29.3 Å²	29.3	53%	0.531	16%	0.155	S	C	.	.	H	α-helix	trans	-59.2	-42.9	176.5	55	0	0	0	0	113	S471 T477	S471-S473 PolarHBondContact O-N 3.19Å; S471-S473 PolarHBondContact OG-OG 3.42Å; S473-T477 PolarHBondContact O-N 3.3Å; S473-T477 PolarHBondContact O-OG1 3.41Å
474	F	94.4	Very high	93.9	Very high	16 Å²	16	27.6 Å²	27.6	7%	0.07	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-46.8	176.6	173.9	-88.7	0	0	0	110.6	Y470 S471 K472 D476 T477 Y478 L500 E561 L565	Y470-F474 AromaticContact CD1-CD1 3.77Å; Y470-F474 HydrophobicContact CD1-CD1 3.77Å; Y470-F474 AromaticContact CD1-CE1 3.64Å; Y470-F474 HydrophobicContact CD1-CE1 3.64Å; Y470-F474 HydrophobicContact CD1-CZ 4.47Å; Y470-F474 HydrophobicContact CE1-CE1 4.19Å; Y470-F474 HydrophobicContact CG-CD1 4.36Å; Y470-F474 HydrophobicContact CG-CE1 4.5Å; S471-F474 WeakPolarHBondContact O-CB 3.42Å; S471-F474 PolarHBondContact O-N 2.88Å; S471-F474 WeakPolarHBondContact OG-CB 3.4Å; S471-F474 PolarHBondContact OG-N 2.73Å; K472-F474 PolarHBondContact O-N 3.01Å; F474-D476 PolarHBondContact O-N 3.19Å; F474-T477 PolarHBondContact O-N 2.84Å; F474-Y478 HydrophobicContact CE1-CD2 4.13Å; F474-Y478 HydrophobicContact CE1-CG 4.23Å; F474-Y478 HydrophobicContact CE2-CD2 4.49Å; F474-Y478 AromaticContact CZ-CD2 3.78Å; F474-Y478 HydrophobicContact CZ-CD2 3.78Å; F474-Y478 HydrophobicContact CZ-CE2 4.37Å; F474-Y478 HydrophobicContact CZ-CG 4.33Å; F474-Y478 WeakPolarHBondContact O-CB 3.43Å; F474-Y478 PolarHBondContact O-N 2.96Å; F474-L500 HydrophobicContact CD2-CD2 3.68Å; F474-L500 HydrophobicContact CE2-CD2 3.76Å; F474-L500 HydrophobicContact CG-CD2 4.41Å; F474-E561 HydrophobicContact CD2-CB 4.19Å; F474-E561 HydrophobicContact CD2-CG 4.06Å; F474-E561 HydrophobicContact CE1-CB 4.25Å; F474-E561 HydrophobicContact CE2-CB 3.64Å; F474-E561 HydrophobicContact CE2-CG 4.03Å; F474-E561 HydrophobicContact CG-CG 4.38Å; F474-E561 HydrophobicContact CZ-CB 3.68Å; F474-E561 HydrophobicContact CZ-CG 4.35Å; F474-L565 HydrophobicContact CE1-CD2 3.75Å; F474-L565 HydrophobicContact CZ-CD2 3.69Å
475	V	95.4	Very high	93.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-40.8	-178.2	-176.5	0	0	0	0	111.2	L435 F436 S471 K472 Y478 I479 Y596	L435-V475 HydrophobicContact CD1-CG2 4.37Å; L435-V475 WeakPolarHBondContact O-CG1 3.35Å; F436-V475 HydrophobicContact CD1-CG1 3.6Å; F436-V475 HydrophobicContact CE1-CG1 4.31Å; S471-V475 WeakPolarHBondContact O-CG2 3.31Å; S471-V475 PolarHBondContact O-N 2.94Å; K472-V475 PolarHBondContact O-N 3.38Å; V475-Y478 PolarHBondContact O-N 3.05Å; V475-I479 WeakPolarHBondContact O-CG2 3.49Å; V475-I479 PolarHBondContact O-N 2.79Å; V475-Y596 HydrophobicContact CG1-CE2 4.17Å; V475-Y596 WeakPolarHBondContact CG1-OH 3.34Å
476	D	95.9	Very high	93.9	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.032	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-45.8	176.9	-77.3	9.2	0	0	0	112.3	K472 F474 I479 R480 Y596 F598 S599	K472-D476 WeakPolarHBondContact CD-OD1 3.4Å; K472-D476 WeakPolarHBondContact CE-OD1 3.5Å; K472-D476 IonicContact NZ-OD1 3.53Å; K472-D476 PolarHBondContact NZ-OD1 2.99Å; K472-D476 WeakPolarHBondContact O-CB 3.4Å; K472-D476 VanDerWaalsContact O-CG 3.3Å; K472-D476 PolarHBondContact O-N 3.43Å; F474-D476 PolarHBondContact O-N 3.19Å; D476-I479 WeakPolarHBondContact O-CG2 3.45Å; D476-R480 WeakPolarHBondContact O-CG 3.31Å; D476-R480 PolarHBondContact O-N 3.34Å; D476-Y596 PolarHBondContact N-OH 2.85Å; D476-Y596 WeakPolarHBondContact OD1-CE1 3.46Å; D476-Y596 PolarHBondContact OD1-OH 3.01Å; D476-F598 HydrophobicContact CB-CD1 4.03Å; D476-F598 HydrophobicContact CB-CE1 4.48Å; D476-S599 WeakPolarHBondContact OD2-CB 3.34Å; D476-S599 PolarHBondContact OD2-N 2.79Å; D476-S599 PolarHBondContact OD2-OG 3.1Å; D476-S599 VanDerWaalsContact OD2-OG 3.05Å
477	T	95.7	Very high	94	Very high	25 Å²	25	31.3 Å²	31.3	15%	0.153	16%	0.161	C	C	.	.	H	α-helix	trans	-70.3	-37.5	176.3	-52.7	0	0	0	0	111.2	S473 F474 R480 L481 L496 E499 L500	S473-T477 PolarHBondContact O-N 3.3Å; S473-T477 PolarHBondContact O-OG1 3.41Å; F474-T477 PolarHBondContact O-N 2.84Å; T477-R480 PolarHBondContact O-N 3Å; T477-L481 PolarHBondContact O-N 3.44Å; T477-L481 VanDerWaalsContact O-N 3.08Å; T477-L496 HydrophobicContact CG2-CB 4.31Å; T477-L496 HydrophobicContact CG2-CD2 3.91Å; T477-E499 HydrophobicContact CG2-CB 4.14Å; T477-L500 HydrophobicContact CG2-CD1 4.05Å; T477-L500 HydrophobicContact CG2-CD2 3.92Å; T477-L500 HydrophobicContact CG2-CG 3.63Å
478	Y	95.1	Very high	93.8	Very high	13 Å²	13	36 Å²	36	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-70.2	-39.8	-178	-162.4	-88.7	0	0	0	112.7	L435 F436 F474 V475 R480 L481 I482 L500 F502 L565 H566	L435-Y478 HydrophobicContact CD2-CD1 3.81Å; L435-Y478 HydrophobicContact CD2-CE1 3.91Å; F436-Y478 HydrophobicContact CE1-CD1 4.02Å; F436-Y478 AromaticContact CZ-CD1 4Å; F436-Y478 HydrophobicContact CZ-CD1 4Å; F436-Y478 HydrophobicContact CZ-CE1 4.46Å; F474-Y478 HydrophobicContact CE1-CD2 4.13Å; F474-Y478 HydrophobicContact CE1-CG 4.23Å; F474-Y478 HydrophobicContact CE2-CD2 4.49Å; F474-Y478 AromaticContact CZ-CD2 3.78Å; F474-Y478 HydrophobicContact CZ-CD2 3.78Å; F474-Y478 HydrophobicContact CZ-CE2 4.37Å; F474-Y478 HydrophobicContact CZ-CG 4.33Å; F474-Y478 WeakPolarHBondContact O-CB 3.43Å; F474-Y478 PolarHBondContact O-N 2.96Å; V475-Y478 PolarHBondContact O-N 3.05Å; Y478-R480 VanDerWaalsContact C-N 3.31Å; Y478-R480 PolarHBondContact O-N 3.31Å; Y478-L481 WeakPolarHBondContact O-CB 3.38Å; Y478-L481 PolarHBondContact O-N 2.86Å; Y478-L481 VanDerWaalsContact O-N 3.15Å; Y478-I482 HydrophobicContact CD1-CG1 4.09Å; Y478-I482 HydrophobicContact CE1-CD1 3.85Å; Y478-I482 HydrophobicContact CE1-CG1 3.87Å; Y478-I482 PolarHBondContact O-N 2.89Å; Y478-L500 HydrophobicContact CD2-CD1 4.03Å; Y478-F502 HydrophobicContact CE2-CE2 4.3Å; Y478-F502 HydrophobicContact CE2-CZ 4.33Å; Y478-L565 HydrophobicContact CD1-CD2 4.28Å; Y478-L565 HydrophobicContact CD2-CD2 3.96Å; Y478-L565 HydrophobicContact CE1-CD2 3.86Å; Y478-L565 HydrophobicContact CE2-CD2 3.5Å; Y478-L565 VanDerWaalsContact CE2-CD2 3.5Å; Y478-L565 HydrophobicContact CG-CD2 4.33Å; Y478-L565 VanDerWaalsContact CZ-CD2 3.45Å; Y478-H566 AromaticContact CE2-NE2 3.93Å; Y478-H566 PolarHBondContact OH-CD2 3.28Å; Y478-H566 PolarHBondContact OH-NE2 3.07Å
479	I	94.9	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-37.7	177.2	-160.6	178.2	0	0	0	111.3	F436 V475 D476 L481 I482 H483 F589 I592 W593 Y596 F598	F436-I479 HydrophobicContact CB-CD1 4.33Å; F436-I479 HydrophobicContact CD1-CB 3.63Å; F436-I479 HydrophobicContact CD1-CD1 3.9Å; F436-I479 HydrophobicContact CD1-CG1 3.76Å; F436-I479 HydrophobicContact CE1-CB 3.41Å; F436-I479 VanDerWaalsContact CE1-CB 3.41Å; F436-I479 HydrophobicContact CE1-CD1 4.34Å; F436-I479 HydrophobicContact CE1-CG1 3.69Å; F436-I479 HydrophobicContact CE2-CG1 4.48Å; F436-I479 HydrophobicContact CG-CD1 4.02Å; F436-I479 HydrophobicContact CG-CG1 4.23Å; F436-I479 HydrophobicContact CZ-CB 4.16Å; F436-I479 HydrophobicContact CZ-CG1 4.05Å; V475-I479 WeakPolarHBondContact O-CG2 3.49Å; V475-I479 PolarHBondContact O-N 2.79Å; D476-I479 WeakPolarHBondContact O-CG2 3.45Å; I479-L481 VanDerWaalsContact C-N 3.31Å; I479-L481 PolarHBondContact O-N 2.87Å; I479-I482 PolarHBondContact O-N 2.9Å; I479-H483 PolarHBondContact O-N 3.43Å; I479-F589 HydrophobicContact CG1-CE2 3.96Å; I479-F589 HydrophobicContact CG1-CZ 4.22Å; I479-I592 HydrophobicContact CD1-CG2 4.15Å; I479-W593 HydrophobicContact CD1-CE3 4.02Å; I479-W593 HydrophobicContact CG1-CE3 3.94Å; I479-W593 HydrophobicContact CG1-CZ3 4.33Å; I479-W593 HydrophobicContact CG2-CE3 4.49Å; I479-W593 HydrophobicContact CG2-CZ3 4.16Å; I479-Y596 HydrophobicContact CD1-CD1 4.32Å; I479-Y596 HydrophobicContact CD1-CD2 3.5Å; I479-Y596 HydrophobicContact CD1-CE2 3.9Å; I479-Y596 HydrophobicContact CD1-CG 3.72Å; I479-Y596 HydrophobicContact CG2-CD1 4.13Å; I479-Y596 HydrophobicContact CG2-CE1 3.8Å; I479-Y596 HydrophobicContact CG2-CE2 4.38Å; I479-F598 HydrophobicContact CG2-CE1 3.72Å; I479-F598 HydrophobicContact CG2-CZ 3.99Å
480	R	95.8	Very high	93.9	Very high	59 Å²	59	36.9 Å²	36.9	22%	0.223	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-37.6	172.3	-71.8	173.9	174.6	156.7	-2.8	111.9	D476 T477 Y478 H483 A484 L496 W593 F598 D605	D476-R480 WeakPolarHBondContact O-CG 3.31Å; D476-R480 PolarHBondContact O-N 3.34Å; T477-R480 PolarHBondContact O-N 3Å; Y478-R480 VanDerWaalsContact C-N 3.31Å; Y478-R480 PolarHBondContact O-N 3.31Å; R480-H483 PolarHBondContact O-N 3.19Å; R480-A484 WeakPolarHBondContact O-CB 3.36Å; R480-A484 PolarHBondContact O-N 3.2Å; R480-L496 HydrophobicContact CB-CD1 3.57Å; R480-W593 HydrophobicContact CG-CH2 4.22Å; R480-W593 HydrophobicContact CG-CZ3 4.26Å; R480-F598 HydrophobicContact CG-CE1 3.88Å; R480-F598 HydrophobicContact CG-CZ 4.18Å; R480-D605 IonicContact NH2-OD2 2.62Å
481	L	95.2	Very high	93.9	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.5	176.6	64.9	0	0	0	111.5	T477 Y478 I479 A484 S485 I493 L496 L500 F502 V519	T477-L481 PolarHBondContact O-N 3.44Å; T477-L481 VanDerWaalsContact O-N 3.08Å; Y478-L481 WeakPolarHBondContact O-CB 3.38Å; Y478-L481 PolarHBondContact O-N 2.86Å; Y478-L481 VanDerWaalsContact O-N 3.15Å; I479-L481 VanDerWaalsContact C-N 3.31Å; I479-L481 PolarHBondContact O-N 2.87Å; L481-A484 PolarHBondContact O-N 3.41Å; L481-S485 WeakPolarHBondContact O-CB 3.32Å; L481-S485 PolarHBondContact O-N 3.46Å; L481-I493 HydrophobicContact CD1-CB 4.23Å; L481-I493 HydrophobicContact CD1-CG1 4.25Å; L481-I493 HydrophobicContact CD1-CG2 4.05Å; L481-L496 HydrophobicContact CB-CB 4.32Å; L481-L496 HydrophobicContact CB-CD1 4.28Å; L481-L496 HydrophobicContact CD1-CB 4.31Å; L481-L500 HydrophobicContact CB-CD1 4.28Å; L481-L500 HydrophobicContact CD2-CD1 3.71Å; L481-F502 HydrophobicContact CD2-CE2 4.46Å; L481-V519 HydrophobicContact CD1-CG1 4.21Å; L481-V519 HydrophobicContact CG-CG1 4.49Å
482	I	92.4	Very high	94	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.087	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-41.1	176.2	-59.1	-57.5	0	0	0	111	F436 Y478 I479 S485 A486 F526 F589	F436-I482 HydrophobicContact CZ-CG1 4.21Å; Y478-I482 HydrophobicContact CD1-CG1 4.09Å; Y478-I482 HydrophobicContact CE1-CD1 3.85Å; Y478-I482 HydrophobicContact CE1-CG1 3.87Å; Y478-I482 PolarHBondContact O-N 2.89Å; I479-I482 PolarHBondContact O-N 2.9Å; I482-S485 WeakPolarHBondContact O-CB 3.46Å; I482-S485 PolarHBondContact O-N 3.31Å; I482-A486 PolarHBondContact O-N 3.37Å; I482-F526 HydrophobicContact CG2-CD2 3.93Å; I482-F526 HydrophobicContact CG2-CE2 4.27Å; I482-F526 HydrophobicContact CG2-CG 4.49Å; I482-F589 HydrophobicContact CB-CE2 3.8Å; I482-F589 HydrophobicContact CB-CZ 3.88Å; I482-F589 HydrophobicContact CG2-CD2 3.85Å; I482-F589 HydrophobicContact CG2-CE1 4.2Å; I482-F589 HydrophobicContact CG2-CE2 3.38Å; I482-F589 HydrophobicContact CG2-CG 4.43Å; I482-F589 HydrophobicContact CG2-CZ 3.59Å
483	H	94.7	Very high	94.1	Very high	43 Å²	43	40.4 Å²	40.4	20%	0.199	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-49.5	175.4	-176.1	-88.3	0	0	0	111.7	I479 R480 S485 A486 E487 F589 Y590 W593	I479-H483 PolarHBondContact O-N 3.43Å; R480-H483 PolarHBondContact O-N 3.19Å; H483-S485 PolarHBondContact O-N 3.36Å; H483-A486 WeakPolarHBondContact O-CB 3.47Å; H483-A486 PolarHBondContact O-N 2.9Å; H483-E487 WeakPolarHBondContact O-CG 3.15Å; H483-E487 PolarHBondContact O-N 3.18Å; H483-F589 HydrophobicContact CB-CE1 4.18Å; H483-F589 HydrophobicContact CB-CZ 4.07Å; H483-Y590 AromaticContact NE2-CE1 3.93Å; H483-W593 HydrophobicContact CB-CD2 4.35Å; H483-W593 HydrophobicContact CB-CE3 4.03Å; H483-W593 HydrophobicContact CB-CH2 3.95Å; H483-W593 HydrophobicContact CB-CZ2 4.28Å; H483-W593 HydrophobicContact CB-CZ3 3.8Å; H483-W593 AromaticContact CD2-CD1 3.89Å; H483-W593 AromaticContact CD2-CD2 3.63Å; H483-W593 AromaticContact CD2-CE2 3.3Å; H483-W593 AromaticContact CD2-CZ2 3.64Å; H483-W593 AromaticContact CD2-NE1 3.45Å; H483-W593 PolarHBondContact CD2-NE1 3.48Å; H483-W593 AromaticContact CG-CE2 3.82Å; H483-W593 AromaticContact CG-CH2 3.87Å; H483-W593 AromaticContact CG-CZ2 3.71Å; H483-W593 AromaticContact ND1-CZ2 3.98Å; H483-W593 AromaticContact NE2-CE2 3.65Å; H483-W593 AromaticContact NE2-CZ2 3.87Å; H483-W593 AromaticContact NE2-NE1 3.47Å; H483-W593 PolarHBondContact NE2-NE1 3.12Å
484	A	95.3	Very high	94.3	Very high	4 Å²	4	39 Å²	39	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-36.8	175.4	0	0	0	0	0	112.1	R480 L481 E487 H488 D489 T492 I493	R480-A484 WeakPolarHBondContact O-CB 3.36Å; R480-A484 PolarHBondContact O-N 3.2Å; L481-A484 PolarHBondContact O-N 3.41Å; A484-E487 PolarHBondContact O-N 3.26Å; A484-H488 PolarHBondContact O-N 2.76Å; A484-D489 HydrophobicContact CB-CB 4.35Å; A484-D489 PolarHBondContact O-N 3.25Å; A484-T492 HydrophobicContact CB-CG2 3.63Å; A484-I493 HydrophobicContact CB-CG1 4.08Å
485	S	92.8	Very high	94.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-36	173.6	-171.5	0	0	0	0	113.7	L481 I482 H483 V519 S520 G523	L481-S485 WeakPolarHBondContact O-CB 3.32Å; L481-S485 PolarHBondContact O-N 3.46Å; I482-S485 WeakPolarHBondContact O-CB 3.46Å; I482-S485 PolarHBondContact O-N 3.31Å; H483-S485 PolarHBondContact O-N 3.36Å; S485-V519 VanDerWaalsContact OG-C 3.3Å; S485-V519 WeakPolarHBondContact OG-CG1 3.4Å; S485-V519 PolarHBondContact OG-O 3.25Å; S485-S520 WeakPolarHBondContact OG-CA 3.45Å; S485-G523 VanDerWaalsContact OG-CA 3.3Å; S485-G523 WeakPolarHBondContact OG-CA 3.39Å
486	A	89.9	Confident	94.4	Very high	5 Å²	5	45 Å²	45	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-74.4	-30.5	177.7	0	0	0	0	0	112.1	I482 H483 H488 F526 A527	I482-A486 PolarHBondContact O-N 3.37Å; H483-A486 WeakPolarHBondContact O-CB 3.47Å; H483-A486 PolarHBondContact O-N 2.9Å; A486-H488 VanDerWaalsContact C-N 3.34Å; A486-F526 HydrophobicContact CB-CB 4.4Å; A486-A527 HydrophobicContact CB-CB 4.34Å; A486-A527 VanDerWaalsContact O-CB 3.3Å; A486-A527 WeakPolarHBondContact O-CB 3.47Å
487	E	91.2	Very high	94.4	Very high	98 Å²	98	44.7 Å²	44.7	46%	0.458	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.4	176.5	-61.2	-59.9	148.7	0	0	113.4	H483 A484 D489 Y590	H483-E487 WeakPolarHBondContact O-CG 3.15Å; H483-E487 PolarHBondContact O-N 3.18Å; A484-E487 PolarHBondContact O-N 3.26Å; E487-D489 VanDerWaalsContact C-N 3.25Å; E487-D489 PolarHBondContact O-N 3.43Å; E487-Y590 PolarHBondContact OE1-OH 2.93Å
488	H	89	Confident	94.3	Very high	111 Å²	111	49 Å²	49	51%	0.514	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	33.5	-177.6	-56.4	-77.3	0	0	0	114.4	A484 A486 E490	A484-H488 PolarHBondContact O-N 2.76Å; A486-H488 VanDerWaalsContact C-N 3.34Å; H488-E490 PolarHBondContact O-N 3.21Å
489	D	94	Very high	94.3	Very high	64 Å²	64	53.7 Å²	53.7	34%	0.342	25%	0.253	S	S	.	.			trans	-86.8	88.1	177.8	-177	-10	0	0	0	111.1	A484 E487 E491 T492 I493	A484-D489 HydrophobicContact CB-CB 4.35Å; A484-D489 PolarHBondContact O-N 3.25Å; E487-D489 VanDerWaalsContact C-N 3.25Å; E487-D489 PolarHBondContact O-N 3.43Å; D489-E491 VanDerWaalsContact C-N 3.31Å; D489-E491 PolarHBondContact O-N 3.22Å; D489-E491 PolarHBondContact OD1-N 2.73Å; D489-T492 PolarHBondContact O-N 2.8Å; D489-T492 PolarHBondContact OD1-N 3.04Å; D489-T492 PolarHBondContact OD1-OG1 3.24Å; D489-T492 WeakPolarHBondContact OD2-CB 3.23Å; D489-T492 PolarHBondContact OD2-OG1 3.12Å; D489-I493 WeakPolarHBondContact O-CD1 3.37Å; D489-I493 WeakPolarHBondContact O-CG1 3.49Å; D489-I493 PolarHBondContact O-N 3.22Å
490	E	94.7	Very high	94.2	Very high	95 Å²	95	54.5 Å²	54.5	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-35.8	-178	-57.3	-168.4	168	0	0	113.6	H488 I493 L494 V516	H488-E490 PolarHBondContact O-N 3.21Å; E490-I493 PolarHBondContact O-N 2.63Å; E490-L494 WeakPolarHBondContact O-CG 3.4Å; E490-L494 PolarHBondContact O-N 3.01Å; E490-V516 HydrophobicContact CB-CG1 4.01Å; E490-V516 HydrophobicContact CG-CG1 3.64Å
491	E	95.1	Very high	93.9	Very high	164 Å²	164	53.2 Å²	53.2	77%	0.766	26%	0.262	S	S	*	.	H	α-helix	trans	-67.1	-46.5	-178.5	-172.9	177.6	176.2	0	0	110.2	D489 L494 K495	D489-E491 VanDerWaalsContact C-N 3.31Å; D489-E491 PolarHBondContact O-N 3.22Å; D489-E491 PolarHBondContact OD1-N 2.73Å; E491-L494 PolarHBondContact O-N 3.31Å; E491-K495 WeakPolarHBondContact O-CB 3.49Å; E491-K495 PolarHBondContact O-N 3.42Å
492	T	96.7	Very high	93.6	Very high	45 Å²	45	53.7 Å²	53.7	28%	0.276	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-37.8	176	-63.1	0	0	0	0	111.6	A484 D489 L494 K495 L496	A484-T492 HydrophobicContact CB-CG2 3.63Å; D489-T492 PolarHBondContact O-N 2.8Å; D489-T492 PolarHBondContact OD1-N 3.04Å; D489-T492 PolarHBondContact OD1-OG1 3.24Å; D489-T492 WeakPolarHBondContact OD2-CB 3.23Å; D489-T492 PolarHBondContact OD2-OG1 3.12Å; T492-L494 PolarHBondContact O-N 3.49Å; T492-K495 PolarHBondContact O-N 3.46Å; T492-L496 HydrophobicContact CG2-CD1 3.54Å; T492-L496 HydrophobicContact CG2-CG 3.95Å; T492-L496 WeakPolarHBondContact O-CB 3.16Å; T492-L496 WeakPolarHBondContact O-CG 3.37Å; T492-L496 PolarHBondContact O-N 2.67Å
493	I	96	Very high	93.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-50	173.9	-71.9	165	0	0	0	110.6	L481 A484 D489 E490 S497 V516 V519	L481-I493 HydrophobicContact CD1-CB 4.23Å; L481-I493 HydrophobicContact CD1-CG1 4.25Å; L481-I493 HydrophobicContact CD1-CG2 4.05Å; A484-I493 HydrophobicContact CB-CG1 4.08Å; D489-I493 WeakPolarHBondContact O-CD1 3.37Å; D489-I493 WeakPolarHBondContact O-CG1 3.49Å; D489-I493 PolarHBondContact O-N 3.22Å; E490-I493 PolarHBondContact O-N 2.63Å; I493-S497 WeakPolarHBondContact O-CB 3.06Å; I493-S497 PolarHBondContact O-N 2.87Å; I493-S497 PolarHBondContact O-OG 3.07Å; I493-V516 HydrophobicContact CG2-CG2 4.04Å; I493-V519 HydrophobicContact CD1-CG1 4.25Å; I493-V519 HydrophobicContact CG1-CG1 4.26Å; I493-V519 HydrophobicContact CG2-CB 4.13Å; I493-V519 HydrophobicContact CG2-CG1 3.98Å; I493-V519 HydrophobicContact CG2-CG2 4.37Å
494	L	95.7	Very high	93.4	Very high	46 Å²	46	53.8 Å²	53.8	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-44	-179.5	-73.2	173.7	0	0	0	112	E490 E491 T492 S497 K498 L503 Q512 V516	E490-L494 WeakPolarHBondContact O-CG 3.4Å; E490-L494 PolarHBondContact O-N 3.01Å; E491-L494 PolarHBondContact O-N 3.31Å; T492-L494 PolarHBondContact O-N 3.49Å; L494-S497 PolarHBondContact O-N 2.89Å; L494-K498 PolarHBondContact O-N 2.9Å; L494-L503 HydrophobicContact CD2-CD1 3.69Å; L494-Q512 HydrophobicContact CD2-CB 3.89Å; L494-Q512 HydrophobicContact CD2-CG 4.16Å; L494-V516 HydrophobicContact CD1-CG2 4.27Å; L494-V516 HydrophobicContact CD2-CG2 3.62Å; L494-V516 HydrophobicContact CG-CG2 3.67Å
495	K	96.8	Very high	93.2	Very high	132 Å²	132	55.2 Å²	55.2	57%	0.574	28%	0.284	S	S	*	.	H	α-helix	trans	-59.3	-54.4	178	-179.2	-172.8	170.7	-169.1	0	111.6	E491 T492 S497 K498 E499	E491-K495 WeakPolarHBondContact O-CB 3.49Å; E491-K495 PolarHBondContact O-N 3.42Å; T492-K495 PolarHBondContact O-N 3.46Å; K495-S497 VanDerWaalsContact C-N 3.34Å; K495-S497 PolarHBondContact O-N 3.31Å; K495-K498 WeakPolarHBondContact O-CB 3.34Å; K495-K498 PolarHBondContact O-N 2.71Å; K495-E499 VanDerWaalsContact CE-OE1 3.3Å; K495-E499 WeakPolarHBondContact CE-OE1 3.36Å; K495-E499 PolarHBondContact O-N 3.23Å; K495-E499 VanDerWaalsContact O-N 3.09Å
496	L	96.2	Very high	93.1	Very high	10 Å²	10	64.8 Å²	64.8	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-68.6	-34.3	-177.8	-63.6	176.6	0	0	0	111.9	T477 R480 L481 T492 K498 E499 L500	T477-L496 HydrophobicContact CG2-CB 4.31Å; T477-L496 HydrophobicContact CG2-CD2 3.91Å; R480-L496 HydrophobicContact CB-CD1 3.57Å; L481-L496 HydrophobicContact CB-CB 4.32Å; L481-L496 HydrophobicContact CB-CD1 4.28Å; L481-L496 HydrophobicContact CD1-CB 4.31Å; T492-L496 HydrophobicContact CG2-CD1 3.54Å; T492-L496 HydrophobicContact CG2-CG 3.95Å; T492-L496 WeakPolarHBondContact O-CB 3.16Å; T492-L496 WeakPolarHBondContact O-CG 3.37Å; T492-L496 PolarHBondContact O-N 2.67Å; L496-K498 VanDerWaalsContact C-N 3.26Å; L496-K498 PolarHBondContact O-N 3.31Å; L496-E499 PolarHBondContact O-N 2.97Å; L496-L500 WeakPolarHBondContact O-CB 3.33Å; L496-L500 WeakPolarHBondContact O-CG 3.28Å; L496-L500 PolarHBondContact O-N 3.42Å
497	S	95	Very high	93.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-34	174.4	-64.3	0	0	0	0	112.1	I493 L494 K495 G501 F502 L503 H515	I493-S497 WeakPolarHBondContact O-CB 3.06Å; I493-S497 PolarHBondContact O-N 2.87Å; I493-S497 PolarHBondContact O-OG 3.07Å; L494-S497 PolarHBondContact O-N 2.89Å; K495-S497 VanDerWaalsContact C-N 3.34Å; K495-S497 PolarHBondContact O-N 3.31Å; S497-G501 PolarHBondContact O-N 3.49Å; S497-F502 WeakPolarHBondContact O-CA 3.37Å; S497-F502 WeakPolarHBondContact O-CB 3.39Å; S497-F502 PolarHBondContact O-N 3.33Å; S497-L503 PolarHBondContact O-N 3.34Å; S497-H515 VanDerWaalsContact CB-NE2 3.25Å; S497-H515 WeakPolarHBondContact CB-NE2 3.35Å; S497-H515 PolarHBondContact OG-NE2 3.14Å
498	K	94.2	Very high	93.1	Very high	115 Å²	115	63.6 Å²	63.6	50%	0.5	32%	0.319	S	S	.	.	H	α-helix	trans	-68.2	-44.7	171.6	-176.6	-176.9	177.1	-179	0	111.8	L494 K495 L496 L500 G501 L503 T504	L494-K498 PolarHBondContact O-N 2.9Å; K495-K498 WeakPolarHBondContact O-CB 3.34Å; K495-K498 PolarHBondContact O-N 2.71Å; L496-K498 VanDerWaalsContact C-N 3.26Å; L496-K498 PolarHBondContact O-N 3.31Å; K498-L500 VanDerWaalsContact C-N 3.31Å; K498-L500 PolarHBondContact O-N 3.23Å; K498-G501 PolarHBondContact O-N 3.31Å; K498-L503 WeakPolarHBondContact CA-O 3.37Å; K498-L503 HydrophobicContact CB-CB 4.38Å; K498-T504 WeakPolarHBondContact CE-O 3.5Å
499	E	94	Very high	93.3	Very high	112 Å²	112	66.8 Å²	66.8	52%	0.523	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-38.2	177.5	-69.7	176.4	-158.9	0	0	112.6	T477 K495 L496 G501	T477-E499 HydrophobicContact CG2-CB 4.14Å; K495-E499 VanDerWaalsContact CE-OE1 3.3Å; K495-E499 WeakPolarHBondContact CE-OE1 3.36Å; K495-E499 PolarHBondContact O-N 3.23Å; K495-E499 VanDerWaalsContact O-N 3.09Å; L496-E499 PolarHBondContact O-N 2.97Å; E499-G501 PolarHBondContact O-N 2.9Å
500	L	92.5	Very high	93.2	Very high	17 Å²	17	67.7 Å²	67.7	9%	0.089	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.3	175.2	-71.6	163.3	0	0	0	113.6	F474 T477 Y478 L481 L496 K498 F502 P559	F474-L500 HydrophobicContact CD2-CD2 3.68Å; F474-L500 HydrophobicContact CE2-CD2 3.76Å; F474-L500 HydrophobicContact CG-CD2 4.41Å; T477-L500 HydrophobicContact CG2-CD1 4.05Å; T477-L500 HydrophobicContact CG2-CD2 3.92Å; T477-L500 HydrophobicContact CG2-CG 3.63Å; Y478-L500 HydrophobicContact CD2-CD1 4.03Å; L481-L500 HydrophobicContact CB-CD1 4.28Å; L481-L500 HydrophobicContact CD2-CD1 3.71Å; L496-L500 WeakPolarHBondContact O-CB 3.33Å; L496-L500 WeakPolarHBondContact O-CG 3.28Å; L496-L500 PolarHBondContact O-N 3.42Å; K498-L500 VanDerWaalsContact C-N 3.31Å; K498-L500 PolarHBondContact O-N 3.23Å; L500-F502 HydrophobicContact CB-CD2 3.66Å; L500-F502 HydrophobicContact CB-CE2 3.82Å; L500-F502 HydrophobicContact CD1-CD2 4.27Å; L500-F502 HydrophobicContact CD1-CE2 3.99Å; L500-F502 HydrophobicContact CG-CE2 4.48Å; L500-P559 WeakPolarHBondContact O-CG 3.46Å
501	G	90.5	Very high	93.1	Very high	32 Å²	32	63.5 Å²	63.5	33%	0.33	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	13.5	-179.4	0	0	0	0	0	115	S497 K498 E499 L503	S497-G501 PolarHBondContact O-N 3.49Å; K498-G501 PolarHBondContact O-N 3.31Å; E499-G501 PolarHBondContact O-N 2.9Å; G501-L503 VanDerWaalsContact C-N 3.28Å
502	F	89.3	Confident	93	Very high	17 Å²	17	58.4 Å²	58.4	8%	0.075	30%	0.296	C	S	.	.	S	Bend	trans	-69.5	-30.2	168.9	-68.2	-66.9	0	0	0	112.2	Y478 L481 S497 L500 P559 S562 H566	Y478-F502 HydrophobicContact CE2-CE2 4.3Å; Y478-F502 HydrophobicContact CE2-CZ 4.33Å; L481-F502 HydrophobicContact CD2-CE2 4.46Å; S497-F502 WeakPolarHBondContact O-CA 3.37Å; S497-F502 WeakPolarHBondContact O-CB 3.39Å; S497-F502 PolarHBondContact O-N 3.33Å; L500-F502 HydrophobicContact CB-CD2 3.66Å; L500-F502 HydrophobicContact CB-CE2 3.82Å; L500-F502 HydrophobicContact CD1-CD2 4.27Å; L500-F502 HydrophobicContact CD1-CE2 3.99Å; L500-F502 HydrophobicContact CG-CE2 4.48Å; F502-P559 HydrophobicContact CD1-CG 3.93Å; F502-P559 HydrophobicContact CE1-CG 3.68Å; F502-P559 HydrophobicContact CE2-CG 4.47Å; F502-P559 HydrophobicContact CG-CG 4.42Å; F502-P559 HydrophobicContact CZ-CG 3.98Å; F502-S562 VanDerWaalsContact CE1-CB 3.41Å; F502-H566 AromaticContact CE1-CE1 3.4Å; F502-H566 WeakPolarHBondContact CE1-CE1 3.49Å; F502-H566 AromaticContact CE1-NE2 3.88Å; F502-H566 AromaticContact CZ-CE1 3.49Å; F502-H566 VanDerWaalsContact CZ-CE1 3.49Å; F502-H566 WeakPolarHBondContact CZ-CE1 3.39Å; F502-H566 AromaticContact CZ-NE2 3.48Å; F502-H566 WeakPolarHBondContact CZ-NE2 3.3Å
503	L	92.2	Very high	92.9	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	30%	0.302	C	S	.	.			trans	-127.2	147.2	178.2	-55.7	175.1	0	0	0	109.5	L494 S497 K498 G501 E507 H515	L494-L503 HydrophobicContact CD2-CD1 3.69Å; S497-L503 PolarHBondContact O-N 3.34Å; K498-L503 WeakPolarHBondContact CA-O 3.37Å; K498-L503 HydrophobicContact CB-CB 4.38Å; G501-L503 VanDerWaalsContact C-N 3.28Å; L503-E507 HydrophobicContact CD2-CG 3.86Å; L503-H515 HydrophobicContact CD2-CB 4.36Å
504	T	90.5	Very high	92.7	Very high	49 Å²	49	60.5 Å²	60.5	30%	0.301	30%	0.304	S	S	.	.			trans	-88.4	-21.4	175	65.5	0	0	0	0	112.3	K498 Y506 E507 L555	K498-T504 WeakPolarHBondContact CE-O 3.5Å; T504-Y506 PolarHBondContact OG1-N 3.4Å; T504-E507 WeakPolarHBondContact CA-OE1 3.45Å; T504-E507 WeakPolarHBondContact CB-OE1 3.42Å; T504-E507 VanDerWaalsContact N-CD 3.3Å; T504-E507 PolarHBondContact N-OE1 3.03Å; T504-E507 PolarHBondContact N-OE2 3.41Å; T504-E507 PolarHBondContact OG1-OE1 3.05Å; T504-E507 PolarHBondContact OG1-OE2 3.34Å; T504-L555 HydrophobicContact CG2-CB 4.44Å
505	G	89.8	Confident	92.5	Very high	35 Å²	35	59 Å²	59	36%	0.361	30%	0.295	S	S	.	.	S	Bend	trans	92.6	-1.2	-171.1	0	0	0	0	0	114.2	E507	G505-E507 WeakPolarHBondContact CA-OE2 3.44Å; G505-E507 PolarHBondContact N-OE2 2.87Å
506	Y	91	Very high	92.3	Very high	201 Å²	201	52.8 Å²	52.8	79%	0.788	27%	0.268	S	S	*	.			trans	-108.5	9.1	177.2	-58.9	-76.4	0	0	0	112.8	T504 L555	T504-Y506 PolarHBondContact OG1-N 3.4Å; Y506-L555 WeakPolarHBondContact O-CD1 3.37Å
507	E	89.7	Confident	92.2	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.056	28%	0.281	C	S	.	.			trans	-63.3	147.3	-178.7	-71.7	72.1	-151.5	0	0	112.1	L503 T504 G505 L511 Q512 L555	L503-E507 HydrophobicContact CD2-CG 3.86Å; T504-E507 WeakPolarHBondContact CA-OE1 3.45Å; T504-E507 WeakPolarHBondContact CB-OE1 3.42Å; T504-E507 VanDerWaalsContact N-CD 3.3Å; T504-E507 PolarHBondContact N-OE1 3.03Å; T504-E507 PolarHBondContact N-OE2 3.41Å; T504-E507 PolarHBondContact OG1-OE1 3.05Å; T504-E507 PolarHBondContact OG1-OE2 3.34Å; G505-E507 WeakPolarHBondContact CA-OE2 3.44Å; G505-E507 PolarHBondContact N-OE2 2.87Å; E507-L511 HydrophobicContact CB-CB 4.2Å; E507-L511 HydrophobicContact CB-CD2 3.85Å; E507-L511 HydrophobicContact CB-CG 4.14Å; E507-L511 HydrophobicContact CG-CD2 3.31Å; E507-L511 HydrophobicContact CG-CG 3.96Å; E507-Q512 HydrophobicContact CB-CG 3.9Å; E507-Q512 PolarHBondContact O-NE2 3.08Å; E507-Q512 VanDerWaalsContact O-NE2 3.16Å; E507-L555 HydrophobicContact CG-CD1 4.29Å
508	T	92.3	Very high	91.9	Very high	66 Å²	66	55.7 Å²	55.7	41%	0.405	29%	0.286	S	S	.	.			trans	-62.3	153.1	170	68	0	0	0	0	110.3	V510 L511 Q512	T508-V510 PolarHBondContact O-N 3.4Å; T508-V510 VanDerWaalsContact O-N 3.15Å; T508-L511 PolarHBondContact O-N 2.82Å; T508-L511 PolarHBondContact OG1-N 2.84Å; T508-Q512 WeakPolarHBondContact O-CG 3.24Å; T508-Q512 PolarHBondContact O-N 3.36Å
509	K	92.4	Very high	91.6	Very high	179 Å²	179	51.2 Å²	51.2	78%	0.778	27%	0.268	S	S	*	.	H	α-helix	trans	-55.3	-33.1	174.3	-69.1	-170.3	175.3	-171.6	0	112.7	Q512 Q513	K509-Q512 PolarHBondContact O-N 2.88Å; K509-Q513 WeakPolarHBondContact O-CB 3.12Å; K509-Q513 PolarHBondContact O-N 2.95Å
510	V	93	Very high	91.5	Very high	82 Å²	82	46.8 Å²	46.8	50%	0.497	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-45.3	177.1	178.2	0	0	0	0	111	T508 A514 V549	T508-V510 PolarHBondContact O-N 3.4Å; T508-V510 VanDerWaalsContact O-N 3.15Å; V510-A514 WeakPolarHBondContact O-CB 3.18Å; V510-A514 PolarHBondContact O-N 3.21Å; V510-V549 HydrophobicContact CG1-CG1 3.53Å
511	L	91.2	Very high	91.2	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-40.8	176.7	177.2	58.6	0	0	0	112.2	E507 T508 Q513 A514 H515 M550 H553	E507-L511 HydrophobicContact CB-CB 4.2Å; E507-L511 HydrophobicContact CB-CD2 3.85Å; E507-L511 HydrophobicContact CB-CG 4.14Å; E507-L511 HydrophobicContact CG-CD2 3.31Å; E507-L511 HydrophobicContact CG-CG 3.96Å; T508-L511 PolarHBondContact O-N 2.82Å; T508-L511 PolarHBondContact OG1-N 2.84Å; L511-Q513 VanDerWaalsContact C-N 3.33Å; L511-Q513 PolarHBondContact O-N 3.33Å; L511-A514 PolarHBondContact O-N 2.99Å; L511-H515 VanDerWaalsContact O-CB 3.31Å; L511-H515 WeakPolarHBondContact O-CB 3.34Å; L511-H515 PolarHBondContact O-N 2.89Å; L511-M550 HydrophobicContact CD1-CB 4.33Å; L511-M550 HydrophobicContact CD1-CG 4.34Å; L511-H553 HydrophobicContact CB-CB 3.81Å; L511-H553 HydrophobicContact CD1-CB 4.46Å; L511-H553 HydrophobicContact CD2-CB 4.17Å; L511-H553 WeakPolarHBondContact CD2-O 3.39Å; L511-H553 HydrophobicContact CG-CB 4.39Å
512	Q	93.2	Very high	90.8	Very high	57 Å²	57	47.9 Å²	47.9	27%	0.266	25%	0.247	S	C	.	.	H	α-helix	trans	-57.8	-47.9	176.3	-69.9	-179.5	7.4	0	0	110.9	L494 E507 T508 K509 H515 V516	L494-Q512 HydrophobicContact CD2-CB 3.89Å; L494-Q512 HydrophobicContact CD2-CG 4.16Å; E507-Q512 HydrophobicContact CB-CG 3.9Å; E507-Q512 PolarHBondContact O-NE2 3.08Å; E507-Q512 VanDerWaalsContact O-NE2 3.16Å; T508-Q512 WeakPolarHBondContact O-CG 3.24Å; T508-Q512 PolarHBondContact O-N 3.36Å; K509-Q512 PolarHBondContact O-N 2.88Å; Q512-H515 PolarHBondContact O-N 3.39Å; Q512-V516 WeakPolarHBondContact O-CG2 3.35Å; Q512-V516 PolarHBondContact O-N 2.88Å
513	Q	94.7	Very high	90.6	Very high	85 Å²	85	47.2 Å²	47.2	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-47.4	177.4	-168.4	64.9	51.8	0	0	111.8	K509 L511 H515 V516 D517	K509-Q513 WeakPolarHBondContact O-CB 3.12Å; K509-Q513 PolarHBondContact O-N 2.95Å; L511-Q513 VanDerWaalsContact C-N 3.33Å; L511-Q513 PolarHBondContact O-N 3.33Å; Q513-H515 PolarHBondContact O-N 3.1Å; Q513-V516 PolarHBondContact O-N 3.48Å; Q513-D517 PolarHBondContact NE2-OD1 2.93Å; Q513-D517 WeakPolarHBondContact O-CB 3.28Å; Q513-D517 PolarHBondContact O-N 3.4Å
514	A	91.7	Very high	90.4	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-33.9	178.8	0	0	0	0	0	112.5	V510 L511 A518 L546 V549 M550	V510-A514 WeakPolarHBondContact O-CB 3.18Å; V510-A514 PolarHBondContact O-N 3.21Å; L511-A514 PolarHBondContact O-N 2.99Å; A514-A518 WeakPolarHBondContact O-CB 3.49Å; A514-A518 PolarHBondContact O-N 3.33Å; A514-A518 VanDerWaalsContact O-N 3.09Å; A514-L546 HydrophobicContact CB-CD2 4.34Å; A514-V549 HydrophobicContact CB-CB 4.43Å; A514-V549 HydrophobicContact CB-CG1 3.95Å; A514-M550 HydrophobicContact CB-CG 4.04Å
515	H	91.3	Very high	90.1	Very high	14 Å²	14	47 Å²	47	7%	0.065	24%	0.24	C	C	.	.	H	α-helix	trans	-70.2	-47.6	174.9	-179.3	84	0	0	0	112	S497 L503 L511 Q512 Q513 A518 V519 M550	S497-H515 VanDerWaalsContact CB-NE2 3.25Å; S497-H515 WeakPolarHBondContact CB-NE2 3.35Å; S497-H515 PolarHBondContact OG-NE2 3.14Å; L503-H515 HydrophobicContact CD2-CB 4.36Å; L511-H515 VanDerWaalsContact O-CB 3.31Å; L511-H515 WeakPolarHBondContact O-CB 3.34Å; L511-H515 PolarHBondContact O-N 2.89Å; Q512-H515 PolarHBondContact O-N 3.39Å; Q513-H515 PolarHBondContact O-N 3.1Å; H515-A518 PolarHBondContact O-N 2.89Å; H515-V519 WeakPolarHBondContact O-CG2 3.36Å; H515-V519 PolarHBondContact O-N 2.9Å; H515-M550 HydrophobicContact CB-CE 4.39Å
516	V	94.2	Very high	90	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-50.5	174.9	169.4	0	0	0	0	110.1	E490 I493 L494 Q512 Q513 A518 V519 S520	E490-V516 HydrophobicContact CB-CG1 4.01Å; E490-V516 HydrophobicContact CG-CG1 3.64Å; I493-V516 HydrophobicContact CG2-CG2 4.04Å; L494-V516 HydrophobicContact CD1-CG2 4.27Å; L494-V516 HydrophobicContact CD2-CG2 3.62Å; L494-V516 HydrophobicContact CG-CG2 3.67Å; Q512-V516 WeakPolarHBondContact O-CG2 3.35Å; Q512-V516 PolarHBondContact O-N 2.88Å; Q513-V516 PolarHBondContact O-N 3.48Å; V516-A518 VanDerWaalsContact C-N 3.3Å; V516-A518 PolarHBondContact O-N 3.4Å; V516-V519 PolarHBondContact O-N 3.32Å; V516-V519 VanDerWaalsContact O-N 3.15Å; V516-S520 WeakPolarHBondContact O-CB 3.18Å; V516-S520 PolarHBondContact O-N 3.04Å; V516-S520 PolarHBondContact O-OG 3.24Å; V516-S520 VanDerWaalsContact O-OG 3.07Å
517	D	92.9	Very high	89.8	Confident	59 Å²	59	36.8 Å²	36.8	32%	0.316	19%	0.193	S	C	.	.	H	α-helix	trans	-55.5	-45.5	178.4	-67	-10.5	0	0	0	111.2	Q513 S520 I521 L546	Q513-D517 PolarHBondContact NE2-OD1 2.93Å; Q513-D517 WeakPolarHBondContact O-CB 3.28Å; Q513-D517 PolarHBondContact O-N 3.4Å; D517-S520 PolarHBondContact O-N 3.44Å; D517-I521 WeakPolarHBondContact O-CB 3.48Å; D517-I521 VanDerWaalsContact O-CD1 3.25Å; D517-I521 WeakPolarHBondContact O-CD1 3.25Å; D517-I521 WeakPolarHBondContact O-CG1 3.21Å; D517-I521 PolarHBondContact O-N 3.15Å; D517-L546 HydrophobicContact CB-CD1 3.7Å; D517-L546 HydrophobicContact CB-CD2 4.29Å
518	A	88.6	Confident	89.6	Confident	12 Å²	12	38.1 Å²	38.1	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-42.8	179.3	0	0	0	0	0	112.5	A514 H515 V516 L522 L546 M550	A514-A518 WeakPolarHBondContact O-CB 3.49Å; A514-A518 PolarHBondContact O-N 3.33Å; A514-A518 VanDerWaalsContact O-N 3.09Å; H515-A518 PolarHBondContact O-N 2.89Å; V516-A518 VanDerWaalsContact C-N 3.3Å; V516-A518 PolarHBondContact O-N 3.4Å; A518-L522 PolarHBondContact O-N 3.3Å; A518-L546 HydrophobicContact CB-CD1 3.84Å; A518-M550 HydrophobicContact CB-CE 4.49Å; A518-M550 HydrophobicContact CB-SD 4.07Å
519	V	89.7	Confident	89.1	Confident	21 Å²	21	42.2 Å²	42.2	13%	0.127	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-50.1	176.1	171.8	0	0	0	0	109.8	L481 S485 I493 H515 V516 I521 L522 G523	L481-V519 HydrophobicContact CD1-CG1 4.21Å; L481-V519 HydrophobicContact CG-CG1 4.49Å; S485-V519 VanDerWaalsContact OG-C 3.3Å; S485-V519 WeakPolarHBondContact OG-CG1 3.4Å; S485-V519 PolarHBondContact OG-O 3.25Å; I493-V519 HydrophobicContact CD1-CG1 4.25Å; I493-V519 HydrophobicContact CG1-CG1 4.26Å; I493-V519 HydrophobicContact CG2-CB 4.13Å; I493-V519 HydrophobicContact CG2-CG1 3.98Å; I493-V519 HydrophobicContact CG2-CG2 4.37Å; H515-V519 WeakPolarHBondContact O-CG2 3.36Å; H515-V519 PolarHBondContact O-N 2.9Å; V516-V519 PolarHBondContact O-N 3.32Å; V516-V519 VanDerWaalsContact O-N 3.15Å; V519-I521 VanDerWaalsContact C-N 3.35Å; V519-I521 PolarHBondContact O-N 3Å; V519-L522 WeakPolarHBondContact O-CB 3.08Å; V519-L522 PolarHBondContact O-N 3.05Å; V519-G523 PolarHBondContact O-N 2.68Å
520	S	90	Very high	88.7	Confident	18 Å²	18	41 Å²	41	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-41.4	178.9	-62.6	0	0	0	0	112.8	S485 V516 D517 L522 G523 E524	S485-S520 WeakPolarHBondContact OG-CA 3.45Å; V516-S520 WeakPolarHBondContact O-CB 3.18Å; V516-S520 PolarHBondContact O-N 3.04Å; V516-S520 PolarHBondContact O-OG 3.24Å; V516-S520 VanDerWaalsContact O-OG 3.07Å; D517-S520 PolarHBondContact O-N 3.44Å; S520-L522 PolarHBondContact O-N 3.24Å; S520-G523 CarbonylContact O-C 3.43Å; S520-G523 WeakPolarHBondContact O-CA 3.21Å; S520-G523 PolarHBondContact O-N 2.71Å; S520-E524 WeakPolarHBondContact O-CG 3.34Å; S520-E524 PolarHBondContact O-N 2.89Å
521	I	86.7	Confident	88.4	Confident	9 Å²	9	42 Å²	42	5%	0.046	22%	0.218	C	C	.	.	H	α-helix	trans	-57.2	-39	175.3	-72.7	159.3	0	0	0	111.7	D517 V519 T539 R542 I543 L546	D517-I521 WeakPolarHBondContact O-CB 3.48Å; D517-I521 VanDerWaalsContact O-CD1 3.25Å; D517-I521 WeakPolarHBondContact O-CD1 3.25Å; D517-I521 WeakPolarHBondContact O-CG1 3.21Å; D517-I521 PolarHBondContact O-N 3.15Å; V519-I521 VanDerWaalsContact C-N 3.35Å; V519-I521 PolarHBondContact O-N 3Å; I521-T539 HydrophobicContact CG2-CG2 3.6Å; I521-R542 HydrophobicContact CD1-CB 3.78Å; I521-R542 HydrophobicContact CG1-CB 4.42Å; I521-R542 HydrophobicContact CG2-CB 4.44Å; I521-I543 HydrophobicContact CB-CG1 4.33Å; I521-I543 HydrophobicContact CD1-CG1 4.44Å; I521-I543 HydrophobicContact CG2-CD1 4.03Å; I521-I543 HydrophobicContact CG2-CG1 3.75Å; I521-L546 HydrophobicContact CD1-CD1 3.65Å
522	L	81.4	Confident	88.2	Confident	64 Å²	64	42.7 Å²	42.7	34%	0.335	22%	0.22	S	C	.	.	H	α-helix	trans	-75.1	-34.6	176.5	-68.4	171.9	0	0	0	111.7	A518 V519 S520 E524 T539 I543	A518-L522 PolarHBondContact O-N 3.3Å; V519-L522 WeakPolarHBondContact O-CB 3.08Å; V519-L522 PolarHBondContact O-N 3.05Å; S520-L522 PolarHBondContact O-N 3.24Å; L522-E524 VanDerWaalsContact C-N 3.33Å; L522-E524 PolarHBondContact O-N 3.35Å; L522-T539 HydrophobicContact CD2-CG2 4.41Å; L522-I543 HydrophobicContact CD1-CD1 4.41Å; L522-I543 HydrophobicContact CD2-CD1 3.51Å; L522-I543 HydrophobicContact CG-CD1 3.8Å
523	G	85.9	Confident	87.9	Confident	2 Å²	2	42 Å²	42	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-27.7	175.8	0	0	0	0	0	114.7	S485 V519 S520 A525 F526 A527	S485-G523 VanDerWaalsContact OG-CA 3.3Å; S485-G523 WeakPolarHBondContact OG-CA 3.39Å; V519-G523 PolarHBondContact O-N 2.68Å; S520-G523 CarbonylContact O-C 3.43Å; S520-G523 WeakPolarHBondContact O-CA 3.21Å; S520-G523 PolarHBondContact O-N 2.71Å; G523-A525 PolarHBondContact O-N 2.97Å; G523-A525 VanDerWaalsContact O-N 3.12Å; G523-F526 CarbonylContact O-C 3.55Å; G523-F526 WeakPolarHBondContact O-CA 3.4Å; G523-F526 PolarHBondContact O-N 3.06Å; G523-A527 PolarHBondContact O-N 3.3Å
524	E	87.1	Confident	87.6	Confident	56 Å²	56	38.1 Å²	38.1	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-51.6	-38.8	-179.5	-78.5	172.9	-166.4	0	0	113.3	S520 L522 F526 A527 S528 R542	S520-E524 WeakPolarHBondContact O-CG 3.34Å; S520-E524 PolarHBondContact O-N 2.89Å; L522-E524 VanDerWaalsContact C-N 3.33Å; L522-E524 PolarHBondContact O-N 3.35Å; E524-F526 VanDerWaalsContact C-N 3.3Å; E524-F526 PolarHBondContact O-N 2.94Å; E524-A527 PolarHBondContact O-N 3.04Å; E524-S528 PolarHBondContact O-N 3.48Å; E524-R542 IonicContact OE1-CZ 2.89Å; E524-R542 VanDerWaalsContact OE1-CZ 3.23Å; E524-R542 IonicContact OE1-NH1 2.63Å; E524-R542 PolarHBondContact OE1-NH1 2.78Å; E524-R542 IonicContact OE1-NH2 2.81Å; E524-R542 PolarHBondContact OE1-NH2 3.19Å; E524-R542 IonicContact OE2-CZ 3.49Å; E524-R542 IonicContact OE2-NH1 3.34Å; E524-R542 PolarHBondContact OE2-NH1 3.12Å; E524-R542 IonicContact OE2-NH2 2.78Å
525	A	86.2	Confident	87.1	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-40.3	177.8	0	0	0	0	0	111.5	G523 F532 F573 C585	G523-A525 PolarHBondContact O-N 2.97Å; G523-A525 VanDerWaalsContact O-N 3.12Å; A525-F532 HydrophobicContact CB-CD1 4.16Å; A525-F532 HydrophobicContact CB-CD2 4.18Å; A525-F532 HydrophobicContact CB-CE1 4.11Å; A525-F532 HydrophobicContact CB-CE2 4.16Å; A525-F532 HydrophobicContact CB-CG 4.17Å; A525-F532 HydrophobicContact CB-CZ 4.12Å; A525-F573 HydrophobicContact CB-CE1 3.83Å; A525-F573 HydrophobicContact CB-CZ 3.96Å; A525-C585 HydrophobicContact CB-CB 4.39Å; A525-C585 VanDerWaalsContact O-CB 3.32Å; A525-C585 WeakPolarHBondContact O-CB 3.47Å
526	F	86.9	Confident	86.3	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-82.6	-22	179.4	-54.5	-63.5	0	0	0	113.1	L432 I482 A486 G523 E524 M569 F573 C585 R586 F589	L432-F526 HydrophobicContact CD1-CE1 4.22Å; L432-F526 HydrophobicContact CD2-CE1 4.2Å; L432-F526 HydrophobicContact CD2-CZ 4.2Å; I482-F526 HydrophobicContact CG2-CD2 3.93Å; I482-F526 HydrophobicContact CG2-CE2 4.27Å; I482-F526 HydrophobicContact CG2-CG 4.49Å; A486-F526 HydrophobicContact CB-CB 4.4Å; G523-F526 CarbonylContact O-C 3.55Å; G523-F526 WeakPolarHBondContact O-CA 3.4Å; G523-F526 PolarHBondContact O-N 3.06Å; E524-F526 VanDerWaalsContact C-N 3.3Å; E524-F526 PolarHBondContact O-N 2.94Å; F526-M569 HydrophobicContact CZ-CE 4.23Å; F526-F573 HydrophobicContact CE2-CZ 4.14Å; F526-F573 HydrophobicContact CZ-CE2 4.19Å; F526-F573 HydrophobicContact CZ-CZ 4.06Å; F526-C585 HydrophobicContact CD1-CB 4Å; F526-C585 HydrophobicContact CE1-CB 4.28Å; F526-R586 WeakPolarHBondContact O-CA 3.5Å; F526-R586 WeakPolarHBondContact O-CB 3.36Å; F526-R586 WeakPolarHBondContact O-CG 3.39Å; F526-F589 HydrophobicContact CB-CB 4.28Å; F526-F589 HydrophobicContact CB-CD1 4.4Å; F526-F589 HydrophobicContact CB-CG 4.4Å; F526-F589 HydrophobicContact CD1-CB 3.66Å; F526-F589 HydrophobicContact CD1-CG 4.29Å; F526-F589 HydrophobicContact CE1-CB 4.34Å; F526-F589 HydrophobicContact CG-CB 4.2Å; F526-F589 HydrophobicContact CG-CG 4.41Å
527	A	86.6	Confident	85.2	Confident	17 Å²	17	50.1 Å²	50.1	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-75.3	-40.2	175.8	0	0	0	0	0	112.2	A486 G523 E524 E529 R586	A486-A527 HydrophobicContact CB-CB 4.34Å; A486-A527 VanDerWaalsContact O-CB 3.3Å; A486-A527 WeakPolarHBondContact O-CB 3.47Å; G523-A527 PolarHBondContact O-N 3.3Å; E524-A527 PolarHBondContact O-N 3.04Å; A527-E529 PolarHBondContact O-N 3.34Å; A527-R586 PolarHBondContact O-NH1 3.03Å
528	S	85.2	Confident	84.2	Confident	40 Å²	40	50 Å²	50	28%	0.28	27%	0.266	S	S	.	.			trans	-61.8	126.7	-173.2	-168.4	0	0	0	0	112.9	E524 E530 R586	E524-S528 PolarHBondContact O-N 3.48Å; S528-E530 VanDerWaalsContact C-N 3.29Å; S528-E530 PolarHBondContact OG-N 2.92Å; S528-R586 WeakPolarHBondContact O-CB 3.45Å
529	E	81.6	Confident	83.6	Confident	152 Å²	152	49.9 Å²	49.9	71%	0.71	26%	0.264	S	S	*	.	S	Bend	trans	-75.7	-21.6	171.5	-60.9	-168.3	157.6	0	0	112.5	A527 N584	A527-E529 PolarHBondContact O-N 3.34Å; E529-N584 PolarHBondContact O-ND2 3.2Å; E529-N584 VanDerWaalsContact O-ND2 3.12Å
530	E	85.7	Confident	82.8	Confident	155 Å²	155	52.1 Å²	52.1	72%	0.724	28%	0.277	S	S	*	.	S	Bend	trans	-84.5	166.1	179	-62.4	-170.4	171	0	0	111.9	S528 F532	S528-E530 VanDerWaalsContact C-N 3.29Å; S528-E530 PolarHBondContact OG-N 2.92Å; E530-F532 PolarHBondContact O-N 2.87Å
531	N	85.8	Confident	82.2	Confident	101 Å²	101	58 Å²	58	54%	0.54	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-66.8	121.7	173.2	-63.6	-43.3	0	0	0	110.2	N533 V582 N584	N531-N533 PolarHBondContact O-N 3.12Å; N531-V582 HydrophobicContact CB-CG1 3.52Å; N531-N584 WeakPolarHBondContact OD1-CB 3.33Å
532	F	86.4	Confident	82.1	Confident	22 Å²	22	61.8 Å²	61.8	10%	0.096	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117	177.1	-162.5	-97.9	0	0	0	110.2	A525 E530 F534 Q537 V582 V583	A525-F532 HydrophobicContact CB-CD1 4.16Å; A525-F532 HydrophobicContact CB-CD2 4.18Å; A525-F532 HydrophobicContact CB-CE1 4.11Å; A525-F532 HydrophobicContact CB-CE2 4.16Å; A525-F532 HydrophobicContact CB-CG 4.17Å; A525-F532 HydrophobicContact CB-CZ 4.12Å; E530-F532 PolarHBondContact O-N 2.87Å; F532-F534 HydrophobicContact CB-CE2 4.38Å; F532-F534 HydrophobicContact CD1-CD1 4.13Å; F532-F534 AromaticContact CD1-CD2 3.86Å; F532-F534 HydrophobicContact CD1-CD2 3.86Å; F532-F534 AromaticContact CD1-CE1 3.94Å; F532-F534 HydrophobicContact CD1-CE1 3.94Å; F532-F534 AromaticContact CD1-CE2 3.65Å; F532-F534 HydrophobicContact CD1-CE2 3.65Å; F532-F534 HydrophobicContact CD1-CG 4.09Å; F532-F534 AromaticContact CD1-CZ 3.7Å; F532-F534 HydrophobicContact CD1-CZ 3.7Å; F532-F534 HydrophobicContact CE1-CD1 4.11Å; F532-F534 AromaticContact CE1-CE1 3.98Å; F532-F534 HydrophobicContact CE1-CE1 3.98Å; F532-F534 HydrophobicContact CE1-CE2 4.48Å; F532-F534 HydrophobicContact CE1-CG 4.44Å; F532-F534 HydrophobicContact CE1-CZ 4.17Å; F532-F534 HydrophobicContact CG-CE2 4.48Å; F532-F534 PolarHBondContact O-N 3.39Å; F532-Q537 VanDerWaalsContact CE1-CD 3.49Å; F532-Q537 HydrophobicContact CE1-CG 3.72Å; F532-Q537 HydrophobicContact CZ-CB 4.27Å; F532-Q537 HydrophobicContact CZ-CG 3.77Å; F532-V582 WeakPolarHBondContact O-CA 3.5Å; F532-V583 WeakPolarHBondContact CA-O 3.3Å; F532-V583 WeakPolarHBondContact CB-O 3.46Å; F532-V583 PolarHBondContact N-O 3.43Å; F532-V583 PolarHBondContact O-N 2.89Å
533	N	88.2	Confident	82	Confident	43 Å²	43	60.5 Å²	60.5	23%	0.23	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	90.6	-176.1	177.8	-5.2	0	0	0	112	N531 S535 Q536 Q537 V582	N531-N533 PolarHBondContact O-N 3.12Å; N533-S535 PolarHBondContact O-N 3.23Å; N533-S535 PolarHBondContact OD1-N 3.23Å; N533-S535 PolarHBondContact OD1-OG 2.91Å; N533-Q536 PolarHBondContact O-N 3.15Å; N533-Q537 PolarHBondContact O-NE2 3.48Å; N533-Q537 PolarHBondContact O-OE1 3.05Å; N533-V582 HydrophobicContact CB-CG2 4.06Å
534	F	87.2	Confident	81.6	Confident	4 Å²	4	62 Å²	62	2%	0.018	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-5.9	-175.3	-73.7	-92.9	0	0	0	116.7	L428 F532 Q537 F573 C576 S577 A581 V583	L428-F534 HydrophobicContact CD1-CE2 3.96Å; L428-F534 HydrophobicContact CD1-CZ 3.74Å; F532-F534 HydrophobicContact CB-CE2 4.38Å; F532-F534 HydrophobicContact CD1-CD1 4.13Å; F532-F534 AromaticContact CD1-CD2 3.86Å; F532-F534 HydrophobicContact CD1-CD2 3.86Å; F532-F534 AromaticContact CD1-CE1 3.94Å; F532-F534 HydrophobicContact CD1-CE1 3.94Å; F532-F534 AromaticContact CD1-CE2 3.65Å; F532-F534 HydrophobicContact CD1-CE2 3.65Å; F532-F534 HydrophobicContact CD1-CG 4.09Å; F532-F534 AromaticContact CD1-CZ 3.7Å; F532-F534 HydrophobicContact CD1-CZ 3.7Å; F532-F534 HydrophobicContact CE1-CD1 4.11Å; F532-F534 AromaticContact CE1-CE1 3.98Å; F532-F534 HydrophobicContact CE1-CE1 3.98Å; F532-F534 HydrophobicContact CE1-CE2 4.48Å; F532-F534 HydrophobicContact CE1-CG 4.44Å; F532-F534 HydrophobicContact CE1-CZ 4.17Å; F532-F534 HydrophobicContact CG-CE2 4.48Å; F532-F534 PolarHBondContact O-N 3.39Å; F534-Q537 VanDerWaalsContact CA-CD 3.42Å; F534-Q537 PolarHBondContact O-NE2 3.2Å; F534-F573 HydrophobicContact CE1-CB 4.39Å; F534-F573 AromaticContact CE1-CD1 3.68Å; F534-F573 HydrophobicContact CE1-CD1 3.68Å; F534-F573 HydrophobicContact CE1-CE1 4.04Å; F534-F573 AromaticContact CE1-CG 3.98Å; F534-F573 HydrophobicContact CE1-CG 3.98Å; F534-C576 VanDerWaalsContact CB-C 3.41Å; F534-C576 HydrophobicContact CB-CB 3.84Å; F534-C576 WeakPolarHBondContact CB-O 3.31Å; F534-C576 HydrophobicContact CD1-CB 3.48Å; F534-C576 VanDerWaalsContact CD1-CB 3.48Å; F534-C576 HydrophobicContact CD2-CB 3.71Å; F534-C576 HydrophobicContact CE1-CB 3.86Å; F534-C576 HydrophobicContact CE2-CB 4.07Å; F534-C576 HydrophobicContact CG-CB 3.39Å; F534-C576 HydrophobicContact CZ-CB 4.14Å; F534-S577 WeakPolarHBondContact O-CA 3.36Å; F534-S577 WeakPolarHBondContact O-CB 3.22Å; F534-S577 PolarHBondContact O-OG 2.97Å; F534-A581 VanDerWaalsContact CB-O 3.31Å; F534-A581 WeakPolarHBondContact CB-O 3.17Å; F534-A581 WeakPolarHBondContact CD2-O 3.47Å; F534-A581 PolarHBondContact N-O 3.41Å; F534-V583 HydrophobicContact CE2-CB 4.1Å; F534-V583 HydrophobicContact CE2-CG2 4.42Å
535	S	81.4	Confident	81.4	Confident	55 Å²	55	65.5 Å²	65.5	39%	0.385	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-23	170.3	70.8	0	0	0	0	117.1	N533	N533-S535 PolarHBondContact O-N 3.23Å; N533-S535 PolarHBondContact OD1-N 3.23Å; N533-S535 PolarHBondContact OD1-OG 2.91Å
536	Q	75.6	Confident	81.3	Confident	163 Å²	163	66.7 Å²	66.7	76%	0.762	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-12.7	-170	-71.6	-168.5	-26.5	0	0	116	N533	N533-Q536 PolarHBondContact O-N 3.15Å
537	Q	70.1	Confident	81	Confident	55 Å²	55	67.5 Å²	67.5	26%	0.257	34%	0.344	S	S	.	.			trans	-81.3	154.1	178.7	57	-75.9	-72.8	0	0	113.5	F532 N533 F534 T539	F532-Q537 VanDerWaalsContact CE1-CD 3.49Å; F532-Q537 HydrophobicContact CE1-CG 3.72Å; F532-Q537 HydrophobicContact CZ-CB 4.27Å; F532-Q537 HydrophobicContact CZ-CG 3.77Å; N533-Q537 PolarHBondContact O-NE2 3.48Å; N533-Q537 PolarHBondContact O-OE1 3.05Å; F534-Q537 VanDerWaalsContact CA-CD 3.42Å; F534-Q537 PolarHBondContact O-NE2 3.2Å; Q537-T539 VanDerWaalsContact CG-OG1 3.28Å; Q537-T539 WeakPolarHBondContact CG-OG1 3.32Å
538	S	72.3	Confident	80.6	Confident	57 Å²	57	69.1 Å²	69.1	40%	0.399	35%	0.353	S	S	.	.			trans	-99.3	16.8	174.4	55.7	0	0	0	0	112.2	T540 K541 R542	S538-T540 PolarHBondContact O-N 3.07Å; S538-K541 CarbonylContact O-C 3.6Å; S538-K541 WeakPolarHBondContact O-CA 3.2Å; S538-K541 WeakPolarHBondContact O-CB 3.37Å; S538-K541 PolarHBondContact O-N 3.48Å; S538-R542 WeakPolarHBondContact O-CB 3.14Å; S538-R542 WeakPolarHBondContact O-CG 3.22Å; S538-R542 PolarHBondContact O-N 2.89Å; S538-R542 WeakPolarHBondContact OG-CD 3.44Å
539	T	76	Confident	80.6	Confident	9 Å²	9	69.4 Å²	69.4	6%	0.055	35%	0.353	C	S	.	.	H	α-helix	trans	-46.8	-56.7	-176	-54.5	0	0	0	0	112.2	I521 L522 Q537 K541 R542 I543	I521-T539 HydrophobicContact CG2-CG2 3.6Å; L522-T539 HydrophobicContact CD2-CG2 4.41Å; Q537-T539 VanDerWaalsContact CG-OG1 3.28Å; Q537-T539 WeakPolarHBondContact CG-OG1 3.32Å; T539-K541 PolarHBondContact O-N 3.38Å; T539-R542 PolarHBondContact O-N 3.43Å; T539-I543 HydrophobicContact CG2-CD1 4.06Å; T539-I543 WeakPolarHBondContact O-CG1 2.91Å; T539-I543 PolarHBondContact O-N 3.5Å
540	T	72.6	Confident	80.7	Confident	67 Å²	67	63.2 Å²	63.2	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-56	-52	176.7	-50.9	0	0	0	0	110.7	S538 R542 I543 S544 L574	S538-T540 PolarHBondContact O-N 3.07Å; T540-R542 VanDerWaalsContact C-N 3.33Å; T540-R542 PolarHBondContact O-N 3.4Å; T540-I543 PolarHBondContact O-N 3.43Å; T540-S544 PolarHBondContact O-N 3.02Å; T540-S544 PolarHBondContact O-OG 3.36Å; T540-L574 HydrophobicContact CG2-CD2 4.15Å
541	K	77.4	Confident	80.4	Confident	141 Å²	141	56.1 Å²	56.1	61%	0.613	29%	0.292	S	S	*	.	H	α-helix	trans	-56.2	-45.5	179.1	-176.2	176.3	-179.6	-178.6	0	111.6	S538 T539 S544 H545	S538-K541 CarbonylContact O-C 3.6Å; S538-K541 WeakPolarHBondContact O-CA 3.2Å; S538-K541 WeakPolarHBondContact O-CB 3.37Å; S538-K541 PolarHBondContact O-N 3.48Å; T539-K541 PolarHBondContact O-N 3.38Å; K541-S544 PolarHBondContact O-N 2.91Å; K541-H545 PolarHBondContact O-N 3.27Å; K541-H545 PolarHBondContact O-ND1 2.82Å
542	R	84.8	Confident	80.2	Confident	90 Å²	90	58.7 Å²	58.7	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-45	-179.5	-71.7	167.9	64.9	-162.8	3.8	111.1	I521 E524 S538 T539 T540 S544 H545	I521-R542 HydrophobicContact CD1-CB 3.78Å; I521-R542 HydrophobicContact CG1-CB 4.42Å; I521-R542 HydrophobicContact CG2-CB 4.44Å; E524-R542 IonicContact OE1-CZ 2.89Å; E524-R542 VanDerWaalsContact OE1-CZ 3.23Å; E524-R542 IonicContact OE1-NH1 2.63Å; E524-R542 PolarHBondContact OE1-NH1 2.78Å; E524-R542 IonicContact OE1-NH2 2.81Å; E524-R542 PolarHBondContact OE1-NH2 3.19Å; E524-R542 IonicContact OE2-CZ 3.49Å; E524-R542 IonicContact OE2-NH1 3.34Å; E524-R542 PolarHBondContact OE2-NH1 3.12Å; E524-R542 IonicContact OE2-NH2 2.78Å; S538-R542 WeakPolarHBondContact O-CB 3.14Å; S538-R542 WeakPolarHBondContact O-CG 3.22Å; S538-R542 PolarHBondContact O-N 2.89Å; S538-R542 WeakPolarHBondContact OG-CD 3.44Å; T539-R542 PolarHBondContact O-N 3.43Å; T540-R542 VanDerWaalsContact C-N 3.33Å; T540-R542 PolarHBondContact O-N 3.4Å; R542-S544 PolarHBondContact O-N 2.89Å; R542-H545 PolarHBondContact O-N 2.87Å
543	I	79.6	Confident	80.1	Confident	36 Å²	36	60.5 Å²	60.5	19%	0.185	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-45.1	174.8	-65.6	169.1	0	0	0	110.3	I521 L522 T539 T540 H545 L546 I547	I521-I543 HydrophobicContact CB-CG1 4.33Å; I521-I543 HydrophobicContact CD1-CG1 4.44Å; I521-I543 HydrophobicContact CG2-CD1 4.03Å; I521-I543 HydrophobicContact CG2-CG1 3.75Å; L522-I543 HydrophobicContact CD1-CD1 4.41Å; L522-I543 HydrophobicContact CD2-CD1 3.51Å; L522-I543 HydrophobicContact CG-CD1 3.8Å; T539-I543 HydrophobicContact CG2-CD1 4.06Å; T539-I543 WeakPolarHBondContact O-CG1 2.91Å; T539-I543 PolarHBondContact O-N 3.5Å; T540-I543 PolarHBondContact O-N 3.43Å; I543-H545 PolarHBondContact O-N 3.09Å; I543-H545 VanDerWaalsContact O-N 3.12Å; I543-L546 WeakPolarHBondContact O-CB 3.36Å; I543-L546 PolarHBondContact O-N 3.04Å; I543-I547 HydrophobicContact CG2-CD1 4.33Å; I543-I547 HydrophobicContact CG2-CG1 4.41Å; I543-I547 WeakPolarHBondContact O-CG1 3.49Å; I543-I547 PolarHBondContact O-N 3.19Å
544	S	76.2	Confident	79.8	Confident	34 Å²	34	60.9 Å²	60.9	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-28.1	178.8	-49.5	0	0	0	0	113.5	D241 T540 K541 R542 L546 P548	D241-S544 WeakPolarHBondContact OD2-CB 3.18Å; D241-S544 PolarHBondContact OD2-OG 3.47Å; T540-S544 PolarHBondContact O-N 3.02Å; T540-S544 PolarHBondContact O-OG 3.36Å; K541-S544 PolarHBondContact O-N 2.91Å; R542-S544 PolarHBondContact O-N 2.89Å; S544-L546 VanDerWaalsContact C-N 3.35Å; S544-P548 VanDerWaalsContact O-CD 3.32Å; S544-P548 WeakPolarHBondContact O-CD 3.38Å
545	H	83.9	Confident	79.7	Confident	129 Å²	129	65 Å²	65	60%	0.597	33%	0.329	S	S	*	.	H	α-helix	trans	-74.4	-24.1	175.2	-71.7	81.3	0	0	0	113.1	K541 R542 I543	K541-H545 PolarHBondContact O-N 3.27Å; K541-H545 PolarHBondContact O-ND1 2.82Å; R542-H545 PolarHBondContact O-N 2.87Å; I543-H545 PolarHBondContact O-N 3.09Å; I543-H545 VanDerWaalsContact O-N 3.12Å
546	L	84.8	Confident	79.8	Confident	26 Å²	26	63.5 Å²	63.5	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-85.5	-28.2	179.3	-61.1	173.1	0	0	0	112	A514 D517 A518 I521 I543 S544 V549 M550	A514-L546 HydrophobicContact CB-CD2 4.34Å; D517-L546 HydrophobicContact CB-CD1 3.7Å; D517-L546 HydrophobicContact CB-CD2 4.29Å; A518-L546 HydrophobicContact CB-CD1 3.84Å; I521-L546 HydrophobicContact CD1-CD1 3.65Å; I543-L546 WeakPolarHBondContact O-CB 3.36Å; I543-L546 PolarHBondContact O-N 3.04Å; S544-L546 VanDerWaalsContact C-N 3.35Å; L546-V549 PolarHBondContact O-N 3.33Å; L546-V549 VanDerWaalsContact O-N 3.14Å; L546-M550 HydrophobicContact CB-SD 4.38Å; L546-M550 WeakPolarHBondContact O-CG 3.21Å; L546-M550 PolarHBondContact O-N 2.9Å
547	I	78.8	Confident	80.1	Confident	22 Å²	22	57.9 Å²	57.9	11%	0.113	30%	0.296	C	S	.	.	H	α-helix	trans	-53	-45.3	-176.5	-70	174.3	0	0	0	113.4	D241 F244 I543 V549 M550 L551	D241-I547 HydrophobicContact CB-CD1 3.34Å; F244-I547 HydrophobicContact CD2-CG2 4.22Å; F244-I547 HydrophobicContact CE2-CG2 3.98Å; I543-I547 HydrophobicContact CG2-CD1 4.33Å; I543-I547 HydrophobicContact CG2-CG1 4.41Å; I543-I547 WeakPolarHBondContact O-CG1 3.49Å; I543-I547 PolarHBondContact O-N 3.19Å; I547-V549 PolarHBondContact O-N 3.24Å; I547-M550 PolarHBondContact O-N 2.95Å; I547-L551 HydrophobicContact CG2-CD1 3.74Å; I547-L551 HydrophobicContact CG2-CG 4.29Å; I547-L551 WeakPolarHBondContact O-CB 3.31Å; I547-L551 WeakPolarHBondContact O-CG 3.49Å; I547-L551 PolarHBondContact O-N 3.07Å
548	P	80	Confident	80.6	Confident	50 Å²	50	55.8 Å²	55.8	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-58.2	-46.7	177.6	-26.7	35.7	0	0	0	113.3	F244 S544 M550 L551 E552	F244-P548 HydrophobicContact CE2-CB 4.5Å; F244-P548 HydrophobicContact CE2-CG 4.48Å; F244-P548 HydrophobicContact CZ-CB 4.43Å; S544-P548 VanDerWaalsContact O-CD 3.32Å; S544-P548 WeakPolarHBondContact O-CD 3.38Å; P548-M550 VanDerWaalsContact C-N 3.35Å; P548-L551 PolarHBondContact O-N 2.99Å; P548-E552 WeakPolarHBondContact O-CB 3.41Å; P548-E552 PolarHBondContact O-N 3.27Å
549	V	85.2	Confident	81.3	Confident	47 Å²	47	54 Å²	54	29%	0.285	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-44.4	177.6	179	0	0	0	0	110.2	V510 A514 L546 I547 L551 E552 H553	V510-V549 HydrophobicContact CG1-CG1 3.53Å; A514-V549 HydrophobicContact CB-CB 4.43Å; A514-V549 HydrophobicContact CB-CG1 3.95Å; L546-V549 PolarHBondContact O-N 3.33Å; L546-V549 VanDerWaalsContact O-N 3.14Å; I547-V549 PolarHBondContact O-N 3.24Å; V549-L551 VanDerWaalsContact C-N 3.32Å; V549-L551 PolarHBondContact O-N 2.81Å; V549-E552 PolarHBondContact O-N 2.65Å; V549-H553 PolarHBondContact O-CD2 3.37Å; V549-H553 PolarHBondContact O-N 3.31Å; V549-H553 VanDerWaalsContact O-N 3.1Å
550	M	83.5	Confident	81.7	Confident	22 Å²	22	55.2 Å²	55.2	11%	0.108	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-34.9	179.3	-70	-177.8	83.2	0	0	112.9	L511 A514 H515 A518 L546 I547 P548 R554	L511-M550 HydrophobicContact CD1-CB 4.33Å; L511-M550 HydrophobicContact CD1-CG 4.34Å; A514-M550 HydrophobicContact CB-CG 4.04Å; H515-M550 HydrophobicContact CB-CE 4.39Å; A518-M550 HydrophobicContact CB-CE 4.49Å; A518-M550 HydrophobicContact CB-SD 4.07Å; L546-M550 HydrophobicContact CB-SD 4.38Å; L546-M550 WeakPolarHBondContact O-CG 3.21Å; L546-M550 PolarHBondContact O-N 2.9Å; I547-M550 PolarHBondContact O-N 2.95Å; P548-M550 VanDerWaalsContact C-N 3.35Å; M550-R554 VanDerWaalsContact O-CB 3.24Å; M550-R554 WeakPolarHBondContact O-CB 3.25Å; M550-R554 PolarHBondContact O-N 3.08Å
551	L	78.4	Confident	82.4	Confident	6 Å²	6	54.8 Å²	54.8	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-81.7	-36.6	179.3	-76.2	175.8	0	0	0	112.8	F244 L345 I547 P548 V549	F244-L551 HydrophobicContact CD1-CD1 4.33Å; F244-L551 HydrophobicContact CD2-CD1 3.27Å; F244-L551 HydrophobicContact CE1-CB 4.48Å; F244-L551 HydrophobicContact CE1-CD1 4.2Å; F244-L551 HydrophobicContact CE2-CB 4.16Å; F244-L551 HydrophobicContact CE2-CD1 3.18Å; F244-L551 HydrophobicContact CE2-CG 4.21Å; F244-L551 HydrophobicContact CG-CD1 3.88Å; F244-L551 HydrophobicContact CZ-CB 3.87Å; F244-L551 HydrophobicContact CZ-CD1 3.65Å; F244-L551 HydrophobicContact CZ-CG 4.39Å; L345-L551 HydrophobicContact CD2-CD1 3.48Å; L345-L551 VanDerWaalsContact CD2-CD1 3.48Å; L345-L551 HydrophobicContact CD2-CD2 3.6Å; L345-L551 HydrophobicContact CD2-CG 4.13Å; I547-L551 HydrophobicContact CG2-CD1 3.74Å; I547-L551 HydrophobicContact CG2-CG 4.29Å; I547-L551 WeakPolarHBondContact O-CB 3.31Å; I547-L551 WeakPolarHBondContact O-CG 3.49Å; I547-L551 PolarHBondContact O-N 3.07Å; P548-L551 PolarHBondContact O-N 2.99Å; V549-L551 VanDerWaalsContact C-N 3.32Å; V549-L551 PolarHBondContact O-N 2.81Å
552	E	81.8	Confident	82.7	Confident	155 Å²	155	48.2 Å²	48.2	72%	0.724	24%	0.244	S	C	*	.	H	α-helix	trans	-64.9	-44.7	177.1	-179.9	173.3	-178.7	0	0	112	P548 V549	P548-E552 WeakPolarHBondContact O-CB 3.41Å; P548-E552 PolarHBondContact O-N 3.27Å; V549-E552 PolarHBondContact O-N 2.65Å
553	H	84.1	Confident	82.6	Confident	59 Å²	59	44.2 Å²	44.2	27%	0.273	23%	0.229	S	C	.	.	S	Bend	trans	-91.7	-1.4	-175.3	-68.9	-73.1	0	0	0	114.1	L511 V549 L555	L511-H553 HydrophobicContact CB-CB 3.81Å; L511-H553 HydrophobicContact CD1-CB 4.46Å; L511-H553 HydrophobicContact CD2-CB 4.17Å; L511-H553 WeakPolarHBondContact CD2-O 3.39Å; L511-H553 HydrophobicContact CG-CB 4.39Å; V549-H553 PolarHBondContact O-CD2 3.37Å; V549-H553 PolarHBondContact O-N 3.31Å; V549-H553 VanDerWaalsContact O-N 3.1Å; H553-L555 PolarHBondContact O-N 2.81Å
554	R	82.8	Confident	82.8	Confident	52 Å²	52	42.5 Å²	42.5	20%	0.196	22%	0.221	C	C	.	.			trans	-61.6	131.3	-174.5	-157.6	171.4	-87.9	-98.3	2.4	112	F346 M550 S556	F346-R554 HydrophobicContact CE2-CB 4.05Å; F346-R554 HydrophobicContact CE2-CG 3.74Å; M550-R554 VanDerWaalsContact O-CB 3.24Å; M550-R554 WeakPolarHBondContact O-CB 3.25Å; M550-R554 PolarHBondContact O-N 3.08Å; R554-S556 VanDerWaalsContact CD-O 3.28Å; R554-S556 WeakPolarHBondContact CD-O 3.4Å; R554-S556 WeakPolarHBondContact CG-O 3.46Å
555	L	84.9	Confident	83.3	Confident	91 Å²	91	40.9 Å²	40.9	48%	0.476	21%	0.209	S	C	.	.			trans	-99.4	-24.5	178.3	-60.1	-176.9	0	0	0	113.8	T504 Y506 E507 H553	T504-L555 HydrophobicContact CG2-CB 4.44Å; Y506-L555 WeakPolarHBondContact O-CD1 3.37Å; E507-L555 HydrophobicContact CG-CD1 4.29Å; H553-L555 PolarHBondContact O-N 2.81Å
556	S	83.6	Confident	83.4	Confident	22 Å²	22	38 Å²	38	15%	0.154	20%	0.196	C	C	.	.	S	Bend	trans	-139.6	154	-177.3	58	0	0	0	0	112.4	F346 R554	F346-S556 WeakPolarHBondContact CE2-O 3.1Å; F346-S556 VanDerWaalsContact CZ-C 3.48Å; R554-S556 VanDerWaalsContact CD-O 3.28Å; R554-S556 WeakPolarHBondContact CD-O 3.4Å; R554-S556 WeakPolarHBondContact CG-O 3.46Å
557	P	81.6	Confident	83.3	Confident	45 Å²	45	38.1 Å²	38.1	29%	0.292	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-61.8	148.2	169.9	26	-32.9	0	0	0	110.6	F346 K349	F346-P557 HydrophobicContact CB-CB 3.71Å; F346-P557 HydrophobicContact CD1-CB 4.2Å; F346-P557 HydrophobicContact CD1-CG 4.3Å; F346-P557 HydrophobicContact CD2-CB 4.2Å; F346-P557 HydrophobicContact CG-CB 3.78Å; F346-P557 HydrophobicContact CG-CG 4.37Å; K349-P557 HydrophobicContact CB-CB 4.06Å; K349-P557 HydrophobicContact CG-CB 4.06Å; K349-P557 HydrophobicContact CG-CG 4.44Å
558	P	81.2	Confident	83.8	Confident	12 Å²	12	37.1 Å²	37.1	8%	0.078	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-53.2	149.6	166.6	-16.6	22.8	0	0	0	111.9	S562 Y563	P558-S562 WeakPolarHBondContact CB-OG 3.47Å; P558-Y563 HydrophobicContact CB-CE2 4.12Å; P558-Y563 HydrophobicContact CG-CE2 4.46Å
559	P	86.2	Confident	84	Confident	20 Å²	20	35.7 Å²	35.7	13%	0.13	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-59.5	149.3	172.6	26.1	-33.6	0	0	0	110.4	L500 F502 E561 S562	L500-P559 WeakPolarHBondContact O-CG 3.46Å; F502-P559 HydrophobicContact CD1-CG 3.93Å; F502-P559 HydrophobicContact CE1-CG 3.68Å; F502-P559 HydrophobicContact CE2-CG 4.47Å; F502-P559 HydrophobicContact CG-CG 4.42Å; F502-P559 HydrophobicContact CZ-CG 3.98Å; P559-E561 PolarHBondContact O-N 3.47Å; P559-S562 WeakPolarHBondContact O-CB 3.39Å; P559-S562 PolarHBondContact O-N 2.87Å; P559-S562 PolarHBondContact O-OG 3.26Å
560	E	84.9	Confident	83.8	Confident	34 Å²	34	36 Å²	36	16%	0.159	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-39.3	-172	-171.5	-176.9	128.7	0	0	112.2	V353 K356 R468 S562 Y563	V353-E560 HydrophobicContact CG1-CG 4.44Å; V353-E560 HydrophobicContact CG2-CG 3.75Å; K356-E560 WeakPolarHBondContact CD-OE1 3.42Å; K356-E560 IonicContact NZ-OE1 3.96Å; K356-E560 PolarHBondContact NZ-OE1 3.39Å; K356-E560 IonicContact NZ-OE2 3.23Å; R468-E560 IonicContact CZ-OE1 2.68Å; R468-E560 IonicContact NH1-OE1 2.89Å; R468-E560 PolarHBondContact NH1-OE1 3.22Å; R468-E560 IonicContact NH2-OE1 2.71Å; R468-E560 PolarHBondContact NH2-OE1 3.48Å; E560-S562 PolarHBondContact O-N 3.19Å; E560-Y563 PolarHBondContact O-N 2.92Å
561	E	86.5	Confident	83.8	Confident	58 Å²	58	35.4 Å²	35.4	27%	0.271	18%	0.182	S	C	.	.	H	α-helix	trans	-58.2	-35.8	178.5	-65.9	72.2	-155.4	0	0	111.8	R468 Y470 F474 P559 Y563 L565	R468-E561 IonicContact NH2-OE1 3.23Å; Y470-E561 HydrophobicContact CD1-CB 4.13Å; Y470-E561 HydrophobicContact CD1-CG 4.14Å; Y470-E561 HydrophobicContact CE1-CB 3.94Å; Y470-E561 HydrophobicContact CE1-CG 4.36Å; F474-E561 HydrophobicContact CD2-CB 4.19Å; F474-E561 HydrophobicContact CD2-CG 4.06Å; F474-E561 HydrophobicContact CE1-CB 4.25Å; F474-E561 HydrophobicContact CE2-CB 3.64Å; F474-E561 HydrophobicContact CE2-CG 4.03Å; F474-E561 HydrophobicContact CG-CG 4.38Å; F474-E561 HydrophobicContact CZ-CB 3.68Å; F474-E561 HydrophobicContact CZ-CG 4.35Å; P559-E561 PolarHBondContact O-N 3.47Å; E561-Y563 PolarHBondContact O-N 3.26Å; E561-L565 WeakPolarHBondContact O-CB 3.37Å; E561-L565 PolarHBondContact O-N 3.43Å
562	S	84.1	Confident	84.2	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-70	-29.2	-173.3	68.2	0	0	0	0	113.9	F502 P558 P559 E560 S564 H566	F502-S562 VanDerWaalsContact CE1-CB 3.41Å; P558-S562 WeakPolarHBondContact CB-OG 3.47Å; P559-S562 WeakPolarHBondContact O-CB 3.39Å; P559-S562 PolarHBondContact O-N 2.87Å; P559-S562 PolarHBondContact O-OG 3.26Å; E560-S562 PolarHBondContact O-N 3.19Å; S562-S564 PolarHBondContact O-N 2.96Å; S562-H566 VanDerWaalsContact O-CB 3.23Å; S562-H566 WeakPolarHBondContact O-CB 3.38Å; S562-H566 PolarHBondContact O-N 3.28Å
563	Y	82.2	Confident	84.3	Confident	6 Å²	6	28.8 Å²	28.8	2%	0.024	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-48.5	180	-72.1	-87.9	0	0	0	111.1	A350 V353 P558 E560 E561 R567	A350-Y563 HydrophobicContact CB-CE1 4.06Å; V353-Y563 HydrophobicContact CG2-CD2 4.19Å; V353-Y563 HydrophobicContact CG2-CE2 4.29Å; P558-Y563 HydrophobicContact CB-CE2 4.12Å; P558-Y563 HydrophobicContact CG-CE2 4.46Å; E560-Y563 PolarHBondContact O-N 2.92Å; E561-Y563 PolarHBondContact O-N 3.26Å; Y563-R567 WeakPolarHBondContact O-CB 3.48Å; Y563-R567 PolarHBondContact O-N 3.35Å
564	S	83.8	Confident	84.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-79.9	-39.3	-178.7	-31.3	0	0	0	0	111.2	E357 S562 R567 K568	E357-S564 PolarHBondContact OE1-OG 2.98Å; S562-S564 PolarHBondContact O-N 2.96Å; S564-R567 WeakPolarHBondContact O-CB 3.1Å; S564-K568 PolarHBondContact O-N 2.88Å; S564-K568 VanDerWaalsContact O-N 3.07Å
565	L	88.2	Confident	84.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-55.3	-179.5	175	58.5	0	0	0	112.5	L435 M441 Y470 F474 Y478 E561 R567 K568 M569	L435-L565 HydrophobicContact CD1-CD1 3.91Å; L435-L565 HydrophobicContact CD2-CD1 3.52Å; L435-L565 HydrophobicContact CD2-CD2 4.3Å; L435-L565 HydrophobicContact CG-CD1 4.27Å; M441-L565 HydrophobicContact CE-CD1 4.29Å; M441-L565 HydrophobicContact SD-CD1 3.91Å; Y470-L565 HydrophobicContact CE1-CB 4.09Å; Y470-L565 PolarHBondContact OH-N 3.47Å; F474-L565 HydrophobicContact CE1-CD2 3.75Å; F474-L565 HydrophobicContact CZ-CD2 3.69Å; Y478-L565 HydrophobicContact CD1-CD2 4.28Å; Y478-L565 HydrophobicContact CD2-CD2 3.96Å; Y478-L565 HydrophobicContact CE1-CD2 3.86Å; Y478-L565 HydrophobicContact CE2-CD2 3.5Å; Y478-L565 VanDerWaalsContact CE2-CD2 3.5Å; Y478-L565 HydrophobicContact CG-CD2 4.33Å; Y478-L565 VanDerWaalsContact CZ-CD2 3.45Å; E561-L565 WeakPolarHBondContact O-CB 3.37Å; E561-L565 PolarHBondContact O-N 3.43Å; L565-R567 PolarHBondContact O-N 3.46Å; L565-K568 PolarHBondContact O-N 2.52Å; L565-K568 VanDerWaalsContact O-N 3.12Å; L565-M569 HydrophobicContact CD1-CG 4.11Å; L565-M569 WeakPolarHBondContact O-CG 3.36Å; L565-M569 PolarHBondContact O-N 2.7Å
566	H	85.1	Confident	84.5	Confident	69 Å²	69	23.1 Å²	23.1	32%	0.319	13%	0.127	S	C	.	.	H	α-helix	trans	-66.2	-30.4	-178.7	-65.3	-177.8	0	0	0	111.2	Y478 F502 S562 S570	Y478-H566 AromaticContact CE2-NE2 3.93Å; Y478-H566 PolarHBondContact OH-CD2 3.28Å; Y478-H566 PolarHBondContact OH-NE2 3.07Å; F502-H566 AromaticContact CE1-CE1 3.4Å; F502-H566 WeakPolarHBondContact CE1-CE1 3.49Å; F502-H566 AromaticContact CE1-NE2 3.88Å; F502-H566 AromaticContact CZ-CE1 3.49Å; F502-H566 VanDerWaalsContact CZ-CE1 3.49Å; F502-H566 WeakPolarHBondContact CZ-CE1 3.39Å; F502-H566 AromaticContact CZ-NE2 3.48Å; F502-H566 WeakPolarHBondContact CZ-NE2 3.3Å; S562-H566 VanDerWaalsContact O-CB 3.23Å; S562-H566 WeakPolarHBondContact O-CB 3.38Å; S562-H566 PolarHBondContact O-N 3.28Å; H566-S570 WeakPolarHBondContact O-CB 3.43Å; H566-S570 PolarHBondContact O-N 2.98Å; H566-S570 PolarHBondContact O-OG 3.07Å
567	R	83.3	Confident	84.7	Confident	27 Å²	27	24.2 Å²	24.2	10%	0.102	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-50.6	170.3	175.4	180	65.9	-153.5	-0.6	111.1	M236 I239 E357 T443 P445 Y563 S564 L565 G571	M236-R567 VanDerWaalsContact CE-NH1 3.31Å; I239-R567 HydrophobicContact CD1-CB 4.24Å; I239-R567 HydrophobicContact CD1-CG 4.39Å; I239-R567 HydrophobicContact CG1-CB 4.26Å; I239-R567 HydrophobicContact CG1-CG 4.27Å; E357-R567 IonicContact OE1-NH1 3.46Å; E357-R567 IonicContact OE1-NH2 3.69Å; E357-R567 PolarHBondContact OE1-NH2 3.47Å; E357-R567 IonicContact OE2-CZ 2.85Å; E357-R567 IonicContact OE2-NH1 3.25Å; E357-R567 PolarHBondContact OE2-NH1 3.45Å; E357-R567 VanDerWaalsContact OE2-NH1 3.14Å; E357-R567 IonicContact OE2-NH2 3.99Å; E357-R567 PolarHBondContact OE2-NH2 2.85Å; E357-R567 VanDerWaalsContact OE2-NH2 3.17Å; T443-R567 PolarHBondContact O-NE 3.15Å; T443-R567 PolarHBondContact OG1-NH2 3.37Å; P445-R567 HydrophobicContact CG-CG 4.03Å; Y563-R567 WeakPolarHBondContact O-CB 3.48Å; Y563-R567 PolarHBondContact O-N 3.35Å; S564-R567 WeakPolarHBondContact O-CB 3.1Å; L565-R567 PolarHBondContact O-N 3.46Å; R567-G571 PolarHBondContact O-N 2.59Å
568	K	88	Confident	84.9	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-49	178.3	178.6	52.7	179.7	-97.3	0	111.8	E434 M441 Q442 P445 S564 L565 S570 G571 C572	E434-K568 IonicContact OE1-NZ 3.95Å; E434-K568 WeakPolarHBondContact OE2-CE 3.38Å; E434-K568 IonicContact OE2-NZ 3.9Å; E434-K568 PolarHBondContact OE2-NZ 3.05Å; M441-K568 HydrophobicContact CE-CB 4.45Å; M441-K568 HydrophobicContact CE-CG 3.75Å; M441-K568 HydrophobicContact CG-CG 3.95Å; M441-K568 HydrophobicContact SD-CB 3.81Å; M441-K568 HydrophobicContact SD-CG 3.57Å; M441-K568 VanDerWaalsContact SD-CG 3.57Å; Q442-K568 WeakPolarHBondContact O-CD 3.34Å; Q442-K568 PolarHBondContact O-NZ 2.78Å; P445-K568 HydrophobicContact CB-CD 4.32Å; S564-K568 PolarHBondContact O-N 2.88Å; S564-K568 VanDerWaalsContact O-N 3.07Å; L565-K568 PolarHBondContact O-N 2.52Å; L565-K568 VanDerWaalsContact O-N 3.12Å; K568-S570 PolarHBondContact O-N 2.98Å; K568-G571 PolarHBondContact O-N 3.49Å; K568-C572 VanDerWaalsContact CE-SG 3.5Å; K568-C572 PolarHBondContact O-N 2.9Å; K568-C572 PolarHBondContact O-SG 2.87Å; K568-C572 VanDerWaalsContact O-SG 3.42Å
569	M	85.6	Confident	85.3	Confident	21 Å²	21	25.6 Å²	25.6	10%	0.103	14%	0.135	C	C	.	.	H	α-helix	trans	-58.1	-51.7	178.9	-67.1	-63.3	-66.2	0	0	111.9	C431 F526 L565 G571 C572 F573	C431-M569 PolarHBondContact SG-SD 3.34Å; F526-M569 HydrophobicContact CZ-CE 4.23Å; L565-M569 HydrophobicContact CD1-CG 4.11Å; L565-M569 WeakPolarHBondContact O-CG 3.36Å; L565-M569 PolarHBondContact O-N 2.7Å; M569-G571 VanDerWaalsContact C-N 3.31Å; M569-G571 PolarHBondContact O-N 3.06Å; M569-C572 PolarHBondContact O-N 3.11Å; M569-F573 WeakPolarHBondContact O-CD2 3.14Å; M569-F573 PolarHBondContact O-N 3.19Å; M569-F573 VanDerWaalsContact O-N 3.09Å
570	S	81	Confident	85.6	Confident	54 Å²	54	30.3 Å²	30.3	38%	0.378	15%	0.153	S	C	.	.	H	α-helix	trans	-62	-40.9	179.1	-56	0	0	0	0	111.4	H566 K568 C572 F573 L574	H566-S570 WeakPolarHBondContact O-CB 3.43Å; H566-S570 PolarHBondContact O-N 2.98Å; H566-S570 PolarHBondContact O-OG 3.07Å; K568-S570 PolarHBondContact O-N 2.98Å; S570-C572 PolarHBondContact O-N 2.71Å; S570-F573 PolarHBondContact O-N 3.21Å; S570-L574 WeakPolarHBondContact O-CB 3.26Å; S570-L574 WeakPolarHBondContact O-CG 3.3Å; S570-L574 PolarHBondContact O-N 3.27Å
571	G	82.4	Confident	86	Confident	8 Å²	8	28.7 Å²	28.7	8%	0.082	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-38.8	176.7	0	0	0	0	0	113.5	R567 K568 M569 L575	R567-G571 PolarHBondContact O-N 2.59Å; K568-G571 PolarHBondContact O-N 3.49Å; M569-G571 VanDerWaalsContact C-N 3.31Å; M569-G571 PolarHBondContact O-N 3.06Å; G571-L575 VanDerWaalsContact O-CB 3.25Å; G571-L575 WeakPolarHBondContact O-CB 3.49Å; G571-L575 PolarHBondContact O-N 2.69Å
572	C	86.3	Confident	86.3	Confident	6 Å²	6	27.9 Å²	27.9	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-39.3	173.3	-72.9	0	0	0	0	112.3	L428 K568 M569 S570 L575 C576	L428-C572 HydrophobicContact CD2-CB 4.04Å; K568-C572 VanDerWaalsContact CE-SG 3.5Å; K568-C572 PolarHBondContact O-N 2.9Å; K568-C572 PolarHBondContact O-SG 2.87Å; K568-C572 VanDerWaalsContact O-SG 3.42Å; M569-C572 PolarHBondContact O-N 3.11Å; S570-C572 PolarHBondContact O-N 2.71Å; C572-L575 WeakPolarHBondContact O-CB 3.5Å; C572-L575 PolarHBondContact O-N 3.25Å; C572-C576 PolarHBondContact O-N 2.92Å; C572-C576 PolarHBondContact O-SG 3.24Å
573	F	84.5	Confident	86.7	Confident	16 Å²	16	27.8 Å²	27.8	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-67.1	-45.7	175.9	-87	-121.4	0	0	0	111.8	L428 A525 F526 F534 M569 S570 L575 C576 S577	L428-F573 HydrophobicContact CD2-CD2 4.08Å; L428-F573 HydrophobicContact CD2-CE2 4.03Å; A525-F573 HydrophobicContact CB-CE1 3.83Å; A525-F573 HydrophobicContact CB-CZ 3.96Å; F526-F573 HydrophobicContact CE2-CZ 4.14Å; F526-F573 HydrophobicContact CZ-CE2 4.19Å; F526-F573 HydrophobicContact CZ-CZ 4.06Å; F534-F573 HydrophobicContact CE1-CB 4.39Å; F534-F573 AromaticContact CE1-CD1 3.68Å; F534-F573 HydrophobicContact CE1-CD1 3.68Å; F534-F573 HydrophobicContact CE1-CE1 4.04Å; F534-F573 AromaticContact CE1-CG 3.98Å; F534-F573 HydrophobicContact CE1-CG 3.98Å; M569-F573 WeakPolarHBondContact O-CD2 3.14Å; M569-F573 PolarHBondContact O-N 3.19Å; M569-F573 VanDerWaalsContact O-N 3.09Å; S570-F573 PolarHBondContact O-N 3.21Å; F573-L575 VanDerWaalsContact C-N 3.28Å; F573-L575 PolarHBondContact O-N 3.47Å; F573-C576 PolarHBondContact O-N 3.42Å; F573-S577 PolarHBondContact O-N 3.27Å
574	L	82.4	Confident	87.2	Confident	79 Å²	79	29.6 Å²	29.6	41%	0.414	15%	0.154	S	C	.	.	H	α-helix	trans	-62	-37.7	176	-72.1	173.5	0	0	0	111.7	T540 S570 S577 K578	T540-L574 HydrophobicContact CG2-CD2 4.15Å; S570-L574 WeakPolarHBondContact O-CB 3.26Å; S570-L574 WeakPolarHBondContact O-CG 3.3Å; S570-L574 PolarHBondContact O-N 3.27Å; L574-S577 WeakPolarHBondContact O-CB 3.47Å; L574-S577 PolarHBondContact O-N 3.16Å; L574-K578 PolarHBondContact O-N 2.65Å
575	L	85.8	Confident	87.5	Confident	5 Å²	5	29.7 Å²	29.7	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-49.6	174.2	177.6	66.6	0	0	0	111.5	L409 L427 W447 G571 C572 F573 S577 K578 L579	L409-L575 HydrophobicContact CB-CD1 4.15Å; L409-L575 HydrophobicContact CD1-CD1 4.05Å; L409-L575 HydrophobicContact CD1-CD2 3.73Å; L427-L575 HydrophobicContact CD1-CD2 3.29Å; W447-L575 HydrophobicContact CD2-CD1 3.77Å; W447-L575 HydrophobicContact CG-CD1 3.87Å; W447-L575 HydrophobicContact CZ2-CB 4.1Å; W447-L575 HydrophobicContact CZ2-CD1 4.15Å; G571-L575 VanDerWaalsContact O-CB 3.25Å; G571-L575 WeakPolarHBondContact O-CB 3.49Å; G571-L575 PolarHBondContact O-N 2.69Å; C572-L575 WeakPolarHBondContact O-CB 3.5Å; C572-L575 PolarHBondContact O-N 3.25Å; F573-L575 VanDerWaalsContact C-N 3.28Å; F573-L575 PolarHBondContact O-N 3.47Å; L575-S577 PolarHBondContact O-N 2.94Å; L575-K578 PolarHBondContact O-N 2.76Å; L575-L579 HydrophobicContact CD1-CD1 4.13Å; L575-L579 HydrophobicContact CD1-CG 4.28Å; L575-L579 HydrophobicContact CG-CD1 4.07Å; L575-L579 WeakPolarHBondContact O-CB 3.35Å; L575-L579 WeakPolarHBondContact O-CG 3.5Å; L575-L579 PolarHBondContact O-N 3.04Å
576	C	89	Confident	87.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-37.2	175.7	-67.3	0	0	0	0	110.8	F534 C572 F573 L579 K580 A581	F534-C576 VanDerWaalsContact CB-C 3.41Å; F534-C576 HydrophobicContact CB-CB 3.84Å; F534-C576 WeakPolarHBondContact CB-O 3.31Å; F534-C576 HydrophobicContact CD1-CB 3.48Å; F534-C576 VanDerWaalsContact CD1-CB 3.48Å; F534-C576 HydrophobicContact CD2-CB 3.71Å; F534-C576 HydrophobicContact CE1-CB 3.86Å; F534-C576 HydrophobicContact CE2-CB 4.07Å; F534-C576 HydrophobicContact CG-CB 3.39Å; F534-C576 HydrophobicContact CZ-CB 4.14Å; C572-C576 PolarHBondContact O-N 2.92Å; C572-C576 PolarHBondContact O-SG 3.24Å; F573-C576 PolarHBondContact O-N 3.42Å; C576-L579 PolarHBondContact O-N 3.42Å; C576-K580 PolarHBondContact O-N 2.86Å; C576-A581 HydrophobicContact CB-CB 4.2Å; C576-A581 PolarHBondContact O-N 3.15Å
577	S	86.7	Confident	88.1	Confident	44 Å²	44	31.7 Å²	31.7	31%	0.308	17%	0.166	S	C	.	.	H	α-helix	trans	-64.7	-46.9	176.4	-169.1	0	0	0	0	113.1	F534 F573 L574 L575 L579 K580	F534-S577 WeakPolarHBondContact O-CA 3.36Å; F534-S577 WeakPolarHBondContact O-CB 3.22Å; F534-S577 PolarHBondContact O-OG 2.97Å; F573-S577 PolarHBondContact O-N 3.27Å; L574-S577 WeakPolarHBondContact O-CB 3.47Å; L574-S577 PolarHBondContact O-N 3.16Å; L575-S577 PolarHBondContact O-N 2.94Å; S577-L579 PolarHBondContact O-N 3.44Å; S577-K580 WeakPolarHBondContact O-CA 3.41Å; S577-K580 PolarHBondContact O-N 3.02Å
578	K	85.5	Confident	88.5	Confident	85 Å²	85	30.6 Å²	30.6	37%	0.37	16%	0.162	S	C	.	.	H	α-helix	trans	-65.1	-40.3	176.5	-172.8	178.4	178.2	174.7	0	112.3	D410 I413 W447 L574 L575 K580	D410-K578 IonicContact OD1-NZ 2.87Å; D410-K578 PolarHBondContact OD1-NZ 2.89Å; I413-K578 HydrophobicContact CG2-CD 4.21Å; I413-K578 HydrophobicContact CG2-CG 3.89Å; W447-K578 HydrophobicContact CE3-CD 3.96Å; W447-K578 HydrophobicContact CH2-CB 3.74Å; W447-K578 HydrophobicContact CH2-CD 3.19Å; W447-K578 HydrophobicContact CH2-CG 4.08Å; W447-K578 HydrophobicContact CZ2-CB 4.37Å; W447-K578 HydrophobicContact CZ2-CD 4.37Å; W447-K578 HydrophobicContact CZ3-CB 4.37Å; W447-K578 HydrophobicContact CZ3-CD 2.97Å; W447-K578 HydrophobicContact CZ3-CG 4.24Å; W447-K578 VanDerWaalsContact CZ3-NZ 3.31Å; L574-K578 PolarHBondContact O-N 2.65Å; L575-K578 PolarHBondContact O-N 2.76Å; K578-K580 PolarHBondContact O-N 3.25Å; K578-K580 VanDerWaalsContact O-N 3.16Å
579	L	90.6	Very high	88.8	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.1	172.7	-70.9	175.8	0	0	0	112.3	C412 I413 R420 I423 L575 C576 S577 A581	C412-L579 HydrophobicContact CB-CD2 4.05Å; I413-L579 HydrophobicContact CG2-CD2 4.33Å; R420-L579 HydrophobicContact CB-CB 4.36Å; R420-L579 WeakPolarHBondContact CD-O 3.33Å; R420-L579 HydrophobicContact CG-CD2 4.27Å; R420-L579 PolarHBondContact NH1-O 3.13Å; I423-L579 HydrophobicContact CB-CD1 4.25Å; I423-L579 HydrophobicContact CG2-CD1 3.73Å; L575-L579 HydrophobicContact CD1-CD1 4.13Å; L575-L579 HydrophobicContact CD1-CG 4.28Å; L575-L579 HydrophobicContact CG-CD1 4.07Å; L575-L579 WeakPolarHBondContact O-CB 3.35Å; L575-L579 WeakPolarHBondContact O-CG 3.5Å; L575-L579 PolarHBondContact O-N 3.04Å; C576-L579 PolarHBondContact O-N 3.42Å; S577-L579 PolarHBondContact O-N 3.44Å; L579-A581 HydrophobicContact CB-CB 4.33Å; L579-A581 PolarHBondContact O-N 3.05Å
580	K	92.1	Very high	89.2	Confident	119 Å²	119	30.9 Å²	30.9	52%	0.517	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	39.1	-171.1	-52.2	-180	178.7	178.9	0	110.9	Q417 C576 S577 K578	Q417-K580 PolarHBondContact NE2-O 3.35Å; C576-K580 PolarHBondContact O-N 2.86Å; S577-K580 WeakPolarHBondContact O-CA 3.41Å; S577-K580 PolarHBondContact O-N 3.02Å; K578-K580 PolarHBondContact O-N 3.25Å; K578-K580 VanDerWaalsContact O-N 3.16Å
581	A	92.4	Very high	89.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.			trans	-69.2	142.6	-175.3	0	0	0	0	0	110.1	N421 F534 C576 L579 V583	N421-A581 WeakPolarHBondContact OD1-CA 3.44Å; F534-A581 VanDerWaalsContact CB-O 3.31Å; F534-A581 WeakPolarHBondContact CB-O 3.17Å; F534-A581 WeakPolarHBondContact CD2-O 3.47Å; F534-A581 PolarHBondContact N-O 3.41Å; C576-A581 HydrophobicContact CB-CB 4.2Å; C576-A581 PolarHBondContact O-N 3.15Å; L579-A581 HydrophobicContact CB-CB 4.33Å; L579-A581 PolarHBondContact O-N 3.05Å; A581-V583 HydrophobicContact CB-CG2 3.99Å
582	V	93.2	Very high	90.3	Very high	41 Å²	41	32.5 Å²	32.5	25%	0.248	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	108.1	172.9	178.9	0	0	0	0	106.3	N421 N531 F532 N533	N421-V582 PolarHBondContact ND2-O 2.95Å; N421-V582 PolarHBondContact OD1-N 3.5Å; N531-V582 HydrophobicContact CB-CG1 3.52Å; F532-V582 WeakPolarHBondContact O-CA 3.5Å; N533-V582 HydrophobicContact CB-CG2 4.06Å
583	V	92.3	Very high	90.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.1	-168.5	179.8	0	0	0	0	109.3	E425 L428 F532 F534 A581 C585 L588	E425-V583 HydrophobicContact CB-CG1 3.8Å; E425-V583 HydrophobicContact CB-CG2 4.06Å; E425-V583 HydrophobicContact CG-CG1 3.97Å; L428-V583 HydrophobicContact CD1-CG1 4.22Å; F532-V583 WeakPolarHBondContact CA-O 3.3Å; F532-V583 WeakPolarHBondContact CB-O 3.46Å; F532-V583 PolarHBondContact N-O 3.43Å; F532-V583 PolarHBondContact O-N 2.89Å; F534-V583 HydrophobicContact CE2-CB 4.1Å; F534-V583 HydrophobicContact CE2-CG2 4.42Å; A581-V583 HydrophobicContact CB-CG2 3.99Å; V583-C585 PolarHBondContact O-N 3.09Å; V583-L588 HydrophobicContact CG1-CD1 4.06Å
584	N	92.2	Very high	91.2	Very high	45 Å²	45	39.7 Å²	39.7	24%	0.241	20%	0.197	C	C	.	.			trans	-83.1	100.3	167.9	-161.3	-25.1	0	0	0	109.3	E529 N531 R586 P587	E529-N584 PolarHBondContact O-ND2 3.2Å; E529-N584 VanDerWaalsContact O-ND2 3.12Å; N531-N584 WeakPolarHBondContact OD1-CB 3.33Å; N584-R586 PolarHBondContact OD1-N 3.19Å; N584-P587 HydrophobicContact CB-CG 4.39Å; N584-P587 VanDerWaalsContact CG-CD 3.41Å; N584-P587 WeakPolarHBondContact OD1-CD 3.39Å
585	C	91.3	Very high	91.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-82.4	-24.4	-174.2	-57.2	0	0	0	0	113	A525 F526 V583 L588 F589	A525-C585 HydrophobicContact CB-CB 4.39Å; A525-C585 VanDerWaalsContact O-CB 3.32Å; A525-C585 WeakPolarHBondContact O-CB 3.47Å; F526-C585 HydrophobicContact CD1-CB 4Å; F526-C585 HydrophobicContact CE1-CB 4.28Å; V583-C585 PolarHBondContact O-N 3.09Å; C585-L588 WeakPolarHBondContact O-CB 3.49Å; C585-L588 PolarHBondContact O-N 3.25Å; C585-F589 PolarHBondContact O-N 3.39Å
586	R	92.4	Very high	92.2	Very high	59 Å²	59	42.7 Å²	42.7	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-53.1	-179.4	177.2	179.5	-175.6	75	7.1	112.2	F526 A527 S528 N584 L588 F589 Y590	F526-R586 WeakPolarHBondContact O-CA 3.5Å; F526-R586 WeakPolarHBondContact O-CB 3.36Å; F526-R586 WeakPolarHBondContact O-CG 3.39Å; A527-R586 PolarHBondContact O-NH1 3.03Å; S528-R586 WeakPolarHBondContact O-CB 3.45Å; N584-R586 PolarHBondContact OD1-N 3.19Å; R586-L588 VanDerWaalsContact C-N 3.26Å; R586-L588 PolarHBondContact O-N 3.44Å; R586-F589 PolarHBondContact O-N 3.46Å; R586-F589 VanDerWaalsContact O-N 3.15Å; R586-Y590 HydrophobicContact CG-CD2 3.57Å; R586-Y590 HydrophobicContact CG-CE2 3.75Å; R586-Y590 PolarHBondContact NH1-OH 3.4Å; R586-Y590 VanDerWaalsContact NH1-OH 3.07Å; R586-Y590 WeakPolarHBondContact O-CD2 3.39Å; R586-Y590 PolarHBondContact O-N 2.91Å
587	P	92.6	Very high	92.3	Very high	53 Å²	53	50.5 Å²	50.5	34%	0.344	25%	0.248	S	C	.	.	H	α-helix	trans	-56.3	-38.1	176.5	-26.4	34.3	0	0	0	113.6	I135 N584 F589 E591	I135-P587 HydrophobicContact CD1-CB 4.46Å; N584-P587 HydrophobicContact CB-CG 4.39Å; N584-P587 VanDerWaalsContact CG-CD 3.41Å; N584-P587 WeakPolarHBondContact OD1-CD 3.39Å; P587-F589 VanDerWaalsContact C-N 3.32Å; P587-F589 PolarHBondContact O-N 3.36Å; P587-E591 WeakPolarHBondContact O-CB 3.43Å; P587-E591 PolarHBondContact O-N 3.07Å
588	L	92.4	Very high	92.6	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-41.2	179.7	-57.3	-179.8	0	0	0	111.8	I135 E425 L428 R429 L432 V583 C585 R586	I135-L588 HydrophobicContact CG2-CD2 3.83Å; E425-L588 HydrophobicContact CG-CD1 4.29Å; E425-L588 HydrophobicContact CG-CD2 4.37Å; L428-L588 HydrophobicContact CB-CD1 4.11Å; R429-L588 HydrophobicContact CB-CD2 4.23Å; L432-L588 HydrophobicContact CD1-CB 3.94Å; V583-L588 HydrophobicContact CG1-CD1 4.06Å; C585-L588 WeakPolarHBondContact O-CB 3.49Å; C585-L588 PolarHBondContact O-N 3.25Å; R586-L588 VanDerWaalsContact C-N 3.26Å; R586-L588 PolarHBondContact O-N 3.44Å
589	F	93.3	Very high	92.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-76.1	-49	178	176.6	-106.9	0	0	0	112	L432 F436 I479 I482 H483 F526 C585 R586 P587 E591 I592 W593	L432-F589 HydrophobicContact CD1-CB 4.43Å; F436-F589 HydrophobicContact CE2-CE2 4.43Å; I479-F589 HydrophobicContact CG1-CE2 3.96Å; I479-F589 HydrophobicContact CG1-CZ 4.22Å; I482-F589 HydrophobicContact CB-CE2 3.8Å; I482-F589 HydrophobicContact CB-CZ 3.88Å; I482-F589 HydrophobicContact CG2-CD2 3.85Å; I482-F589 HydrophobicContact CG2-CE1 4.2Å; I482-F589 HydrophobicContact CG2-CE2 3.38Å; I482-F589 HydrophobicContact CG2-CG 4.43Å; I482-F589 HydrophobicContact CG2-CZ 3.59Å; H483-F589 HydrophobicContact CB-CE1 4.18Å; H483-F589 HydrophobicContact CB-CZ 4.07Å; F526-F589 HydrophobicContact CB-CB 4.28Å; F526-F589 HydrophobicContact CB-CD1 4.4Å; F526-F589 HydrophobicContact CB-CG 4.4Å; F526-F589 HydrophobicContact CD1-CB 3.66Å; F526-F589 HydrophobicContact CD1-CG 4.29Å; F526-F589 HydrophobicContact CE1-CB 4.34Å; F526-F589 HydrophobicContact CG-CB 4.2Å; F526-F589 HydrophobicContact CG-CG 4.41Å; C585-F589 PolarHBondContact O-N 3.39Å; R586-F589 PolarHBondContact O-N 3.46Å; R586-F589 VanDerWaalsContact O-N 3.15Å; P587-F589 VanDerWaalsContact C-N 3.32Å; P587-F589 PolarHBondContact O-N 3.36Å; F589-E591 VanDerWaalsContact C-N 3.31Å; F589-E591 PolarHBondContact O-N 3.41Å; F589-I592 WeakPolarHBondContact O-CB 3.19Å; F589-I592 PolarHBondContact O-N 3.47Å; F589-I592 VanDerWaalsContact O-N 3.07Å; F589-W593 HydrophobicContact CE1-CB 4.39Å; F589-W593 HydrophobicContact CZ-CE3 4.5Å; F589-W593 PolarHBondContact O-N 2.96Å
590	Y	94.1	Very high	91.4	Very high	27 Å²	27	54.1 Å²	54.1	11%	0.106	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-26.2	-175.8	-79.1	-92.5	0	0	0	113.2	H483 E487 R586 I592 W593 N594	H483-Y590 AromaticContact NE2-CE1 3.93Å; E487-Y590 PolarHBondContact OE1-OH 2.93Å; R586-Y590 HydrophobicContact CG-CD2 3.57Å; R586-Y590 HydrophobicContact CG-CE2 3.75Å; R586-Y590 PolarHBondContact NH1-OH 3.4Å; R586-Y590 VanDerWaalsContact NH1-OH 3.07Å; R586-Y590 WeakPolarHBondContact O-CD2 3.39Å; R586-Y590 PolarHBondContact O-N 2.91Å; Y590-I592 VanDerWaalsContact C-N 3.3Å; Y590-I592 PolarHBondContact O-N 3.45Å; Y590-W593 PolarHBondContact O-N 2.77Å; Y590-N594 WeakPolarHBondContact O-CB 3.32Å; Y590-N594 PolarHBondContact O-N 2.92Å; Y590-N594 PolarHBondContact O-ND2 3.3Å
591	E	93.1	Very high	89.4	Confident	81 Å²	81	56.3 Å²	56.3	38%	0.379	29%	0.288	S	S	.	.	H	α-helix	trans	-58.6	-45	168.4	-179.1	-175	-171.1	0	0	110.9	I135 P587 F589 N595	I135-E591 HydrophobicContact CD1-CB 3.97Å; I135-E591 HydrophobicContact CD1-CG 4.08Å; I135-E591 WeakPolarHBondContact CD1-OE2 3.36Å; P587-E591 WeakPolarHBondContact O-CB 3.43Å; P587-E591 PolarHBondContact O-N 3.07Å; F589-E591 VanDerWaalsContact C-N 3.31Å; F589-E591 PolarHBondContact O-N 3.41Å; E591-N595 PolarHBondContact O-N 2.85Å; E591-N595 PolarHBondContact O-ND2 3.5Å
592	I	94.6	Very high	87	Confident	16 Å²	16	61 Å²	61	8%	0.082	31%	0.314	C	S	.	.	H	α-helix	trans	-69.7	-48.6	178.6	-69.5	169.5	0	0	0	110	L432 K433 F436 V437 I479 F589 Y590 N594 N595 Y596	L432-I592 HydrophobicContact CB-CD1 3.34Å; L432-I592 HydrophobicContact CD1-CD1 4.31Å; L432-I592 HydrophobicContact CG-CD1 4.45Å; K433-I592 HydrophobicContact CG-CD1 4.35Å; F436-I592 HydrophobicContact CB-CG2 3.57Å; F436-I592 HydrophobicContact CD2-CG2 4.27Å; F436-I592 HydrophobicContact CG-CG2 4.21Å; V437-I592 HydrophobicContact CG2-CG2 4.46Å; I479-I592 HydrophobicContact CD1-CG2 4.15Å; F589-I592 WeakPolarHBondContact O-CB 3.19Å; F589-I592 PolarHBondContact O-N 3.47Å; F589-I592 VanDerWaalsContact O-N 3.07Å; Y590-I592 VanDerWaalsContact C-N 3.3Å; Y590-I592 PolarHBondContact O-N 3.45Å; I592-N594 PolarHBondContact O-N 3.3Å; I592-N595 CarbonylContact O-C 3.5Å; I592-N595 PolarHBondContact O-N 3.43Å; I592-Y596 WeakPolarHBondContact O-CB 3.47Å; I592-Y596 PolarHBondContact O-N 3.31Å
593	W	94.7	Very high	84.5	Confident	55 Å²	55	65 Å²	65	21%	0.208	34%	0.341	C	S	.	.	H	α-helix	trans	-53.9	-50.5	178.7	174.4	-105.6	0	0	0	112.4	I479 R480 H483 F589 Y590 N595 Y596 F598	I479-W593 HydrophobicContact CD1-CE3 4.02Å; I479-W593 HydrophobicContact CG1-CE3 3.94Å; I479-W593 HydrophobicContact CG1-CZ3 4.33Å; I479-W593 HydrophobicContact CG2-CE3 4.49Å; I479-W593 HydrophobicContact CG2-CZ3 4.16Å; R480-W593 HydrophobicContact CG-CH2 4.22Å; R480-W593 HydrophobicContact CG-CZ3 4.26Å; H483-W593 HydrophobicContact CB-CD2 4.35Å; H483-W593 HydrophobicContact CB-CE3 4.03Å; H483-W593 HydrophobicContact CB-CH2 3.95Å; H483-W593 HydrophobicContact CB-CZ2 4.28Å; H483-W593 HydrophobicContact CB-CZ3 3.8Å; H483-W593 AromaticContact CD2-CD1 3.89Å; H483-W593 AromaticContact CD2-CD2 3.63Å; H483-W593 AromaticContact CD2-CE2 3.3Å; H483-W593 AromaticContact CD2-CZ2 3.64Å; H483-W593 AromaticContact CD2-NE1 3.45Å; H483-W593 PolarHBondContact CD2-NE1 3.48Å; H483-W593 AromaticContact CG-CE2 3.82Å; H483-W593 AromaticContact CG-CH2 3.87Å; H483-W593 AromaticContact CG-CZ2 3.71Å; H483-W593 AromaticContact ND1-CZ2 3.98Å; H483-W593 AromaticContact NE2-CE2 3.65Å; H483-W593 AromaticContact NE2-CZ2 3.87Å; H483-W593 AromaticContact NE2-NE1 3.47Å; H483-W593 PolarHBondContact NE2-NE1 3.12Å; F589-W593 HydrophobicContact CE1-CB 4.39Å; F589-W593 HydrophobicContact CZ-CE3 4.5Å; F589-W593 PolarHBondContact O-N 2.96Å; Y590-W593 PolarHBondContact O-N 2.77Å; W593-N595 PolarHBondContact O-N 3.3Å; W593-Y596 VanDerWaalsContact O-CB 3.31Å; W593-Y596 WeakPolarHBondContact O-CB 3.3Å; W593-Y596 PolarHBondContact O-N 3.37Å; W593-Y596 VanDerWaalsContact O-N 3.11Å; W593-F598 HydrophobicContact CE3-CZ 4.36Å; W593-F598 HydrophobicContact CH2-CE2 4.45Å; W593-F598 AromaticContact CH2-CZ 3.88Å; W593-F598 HydrophobicContact CH2-CZ 3.88Å; W593-F598 HydrophobicContact CZ3-CE2 4.45Å; W593-F598 AromaticContact CZ3-CZ 3.64Å; W593-F598 HydrophobicContact CZ3-CZ 3.64Å
594	N	94.4	Very high	81.8	Confident	117 Å²	117	69.6 Å²	69.6	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-67.1	-23.4	-177.1	-68.3	-24	0	0	0	113.3	Y590 I592	Y590-N594 WeakPolarHBondContact O-CB 3.32Å; Y590-N594 PolarHBondContact O-N 2.92Å; Y590-N594 PolarHBondContact O-ND2 3.3Å; I592-N594 PolarHBondContact O-N 3.3Å
595	N	93.8	Very high	79.1	Confident	121 Å²	121	76 Å²	76	65%	0.647	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	1.8	177.4	-67	-60.4	0	0	0	112.7	E591 I592 W593	E591-N595 PolarHBondContact O-N 2.85Å; E591-N595 PolarHBondContact O-ND2 3.5Å; I592-N595 CarbonylContact O-C 3.5Å; I592-N595 PolarHBondContact O-N 3.43Å; W593-N595 PolarHBondContact O-N 3.3Å
596	Y	94.9	Very high	78.5	Confident	27 Å²	27	79.8 Å²	79.8	11%	0.106	43%	0.427	C	S	.	.			trans	-73.7	136	-174.6	-166.3	-96.6	0	0	0	111	F436 K472 V475 D476 I479 I592 W593 F598	F436-Y596 HydrophobicContact CB-CD2 4.39Å; F436-Y596 HydrophobicContact CB-CE2 4.13Å; F436-Y596 WeakPolarHBondContact O-CE2 3.17Å; K472-Y596 VanDerWaalsContact NZ-CE1 3.35Å; K472-Y596 PolarHBondContact NZ-OH 3.27Å; V475-Y596 HydrophobicContact CG1-CE2 4.17Å; V475-Y596 WeakPolarHBondContact CG1-OH 3.34Å; D476-Y596 PolarHBondContact N-OH 2.85Å; D476-Y596 WeakPolarHBondContact OD1-CE1 3.46Å; D476-Y596 PolarHBondContact OD1-OH 3.01Å; I479-Y596 HydrophobicContact CD1-CD1 4.32Å; I479-Y596 HydrophobicContact CD1-CD2 3.5Å; I479-Y596 HydrophobicContact CD1-CE2 3.9Å; I479-Y596 HydrophobicContact CD1-CG 3.72Å; I479-Y596 HydrophobicContact CG2-CD1 4.13Å; I479-Y596 HydrophobicContact CG2-CE1 3.8Å; I479-Y596 HydrophobicContact CG2-CE2 4.38Å; I592-Y596 WeakPolarHBondContact O-CB 3.47Å; I592-Y596 PolarHBondContact O-N 3.31Å; W593-Y596 VanDerWaalsContact O-CB 3.31Å; W593-Y596 WeakPolarHBondContact O-CB 3.3Å; W593-Y596 PolarHBondContact O-N 3.37Å; W593-Y596 VanDerWaalsContact O-N 3.11Å; Y596-F598 AromaticContact CD1-CD1 3.88Å; Y596-F598 HydrophobicContact CD1-CD1 3.88Å; Y596-F598 AromaticContact CD1-CD2 3.91Å; Y596-F598 HydrophobicContact CD1-CD2 3.91Å; Y596-F598 AromaticContact CD1-CE1 3.69Å; Y596-F598 HydrophobicContact CD1-CE1 3.69Å; Y596-F598 AromaticContact CD1-CE2 3.73Å; Y596-F598 HydrophobicContact CD1-CE2 3.73Å; Y596-F598 AromaticContact CD1-CG 3.98Å; Y596-F598 HydrophobicContact CD1-CG 3.98Å; Y596-F598 AromaticContact CD1-CZ 3.61Å; Y596-F598 HydrophobicContact CD1-CZ 3.61Å; Y596-F598 AromaticContact CE1-CD1 3.62Å; Y596-F598 HydrophobicContact CE1-CD1 3.62Å; Y596-F598 HydrophobicContact CE1-CD2 4.46Å; Y596-F598 AromaticContact CE1-CE1 3.6Å; Y596-F598 HydrophobicContact CE1-CE1 3.6Å; Y596-F598 HydrophobicContact CE1-CE2 4.45Å; Y596-F598 HydrophobicContact CE1-CG 4.06Å; Y596-F598 HydrophobicContact CE1-CZ 4.03Å
597	Q	91.9	Very high	77.7	Confident	164 Å²	164	80.9 Å²	80.9	77%	0.766	44%	0.438	S	S	*	.			trans	-108.5	109.4	177.4	-64.7	-178.9	-0.3	0	0	109.5	K472	K472-Q597 VanDerWaalsContact CE-O 3.26Å; K472-Q597 WeakPolarHBondContact CE-O 3.47Å; K472-Q597 PolarHBondContact NZ-O 3.41Å
598	F	92.4	Very high	76.9	Confident	46 Å²	46	82.4 Å²	82.4	20%	0.202	44%	0.443	C	S	.	.			trans	-72.2	148.9	176.6	-67.8	-82.9	0	0	0	111.7	D476 I479 R480 W593 Y596 D600	D476-F598 HydrophobicContact CB-CD1 4.03Å; D476-F598 HydrophobicContact CB-CE1 4.48Å; I479-F598 HydrophobicContact CG2-CE1 3.72Å; I479-F598 HydrophobicContact CG2-CZ 3.99Å; R480-F598 HydrophobicContact CG-CE1 3.88Å; R480-F598 HydrophobicContact CG-CZ 4.18Å; W593-F598 HydrophobicContact CE3-CZ 4.36Å; W593-F598 HydrophobicContact CH2-CE2 4.45Å; W593-F598 AromaticContact CH2-CZ 3.88Å; W593-F598 HydrophobicContact CH2-CZ 3.88Å; W593-F598 HydrophobicContact CZ3-CE2 4.45Å; W593-F598 AromaticContact CZ3-CZ 3.64Å; W593-F598 HydrophobicContact CZ3-CZ 3.64Å; Y596-F598 AromaticContact CD1-CD1 3.88Å; Y596-F598 HydrophobicContact CD1-CD1 3.88Å; Y596-F598 AromaticContact CD1-CD2 3.91Å; Y596-F598 HydrophobicContact CD1-CD2 3.91Å; Y596-F598 AromaticContact CD1-CE1 3.69Å; Y596-F598 HydrophobicContact CD1-CE1 3.69Å; Y596-F598 AromaticContact CD1-CE2 3.73Å; Y596-F598 HydrophobicContact CD1-CE2 3.73Å; Y596-F598 AromaticContact CD1-CG 3.98Å; Y596-F598 HydrophobicContact CD1-CG 3.98Å; Y596-F598 AromaticContact CD1-CZ 3.61Å; Y596-F598 HydrophobicContact CD1-CZ 3.61Å; Y596-F598 AromaticContact CE1-CD1 3.62Å; Y596-F598 HydrophobicContact CE1-CD1 3.62Å; Y596-F598 HydrophobicContact CE1-CD2 4.46Å; Y596-F598 AromaticContact CE1-CE1 3.6Å; Y596-F598 HydrophobicContact CE1-CE1 3.6Å; Y596-F598 HydrophobicContact CE1-CE2 4.45Å; Y596-F598 HydrophobicContact CE1-CG 4.06Å; Y596-F598 HydrophobicContact CE1-CZ 4.03Å; F598-D600 VanDerWaalsContact C-N 3.33Å
599	S	82.8	Confident	76	Confident	67 Å²	67	87.1 Å²	87.1	47%	0.469	47%	0.468	S	S	.	.	S	Bend	trans	-68.4	-35.8	177.9	62.5	0	0	0	0	112.4	D476 N601	D476-S599 WeakPolarHBondContact OD2-CB 3.34Å; D476-S599 PolarHBondContact OD2-N 2.79Å; D476-S599 PolarHBondContact OD2-OG 3.1Å; D476-S599 VanDerWaalsContact OD2-OG 3.05Å; S599-N601 PolarHBondContact O-N 2.62Å
600	D	68.3	Low	74.9	Confident	92 Å²	92	92.5 Å²	92.5	49%	0.492	50%	0.497	S	S	.	.			trans	-88.5	109.5	176	-57.5	-22.8	0	0	0	107.4	F598 N602	F598-D600 VanDerWaalsContact C-N 3.33Å; D600-N602 HydrophobicContact CB-CB 3.95Å; D600-N602 PolarHBondContact O-N 3.37Å
601	N	49.7	Very low	73.6	Confident	165 Å²	165	96.9 Å²	96.9	88%	0.882	52%	0.523	S	S	*	.			trans	-66.8	54.4	154	-79.1	-23.4	0	0	0	108.8	S599 P603	S599-N601 PolarHBondContact O-N 2.62Å; N601-P603 VanDerWaalsContact O-CD 3.28Å; N601-P603 WeakPolarHBondContact O-CD 3.28Å
602	N	42.2	Very low	72.3	Confident	100 Å²	100	98 Å²	98	54%	0.535	53%	0.533	S	S	.	.			trans	-78.1	113.1	175	-130.2	-7	0	0	0	106.6	D600 S604	D600-N602 HydrophobicContact CB-CB 3.95Å; D600-N602 PolarHBondContact O-N 3.37Å; N602-S604 PolarHBondContact O-N 2.9Å
603	P	40.7	Very low	70.5	Confident	125 Å²	125	104.3 Å²	104.3	81%	0.812	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	38	-173.3	33.9	-33.6	0	0	0	112.4	N601	N601-P603 VanDerWaalsContact O-CD 3.28Å; N601-P603 WeakPolarHBondContact O-CD 3.28Å
604	S	35.8	Very low	68.5	Low	96 Å²	96	108.4 Å²	108.4	67%	0.671	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	10	178.7	58.2	0	0	0	0	114.1	N602	N602-S604 PolarHBondContact O-N 2.9Å
605	D	35.6	Very low	66.2	Low	181 Å²	181	107.6 Å²	107.6	97%	0.968	60%	0.595	S	S	*	*			trans	-91.8	0	160	-78.9	-23.5	0	0	0	110.3	R480	R480-D605 IonicContact NH2-OD2 2.62Å

Retrieved 605 of 605 residues in 1926 ms (Link to these results)

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