A0A077YYM2_TRITR Loading...

histone deacetylase

AlphaFold DB , UniProt , Accession A0A077YYM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 771 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	46.5	Very low	57.2	Low	149 Å²	149	99.7 Å²	99.7	73%	0.734	58%	0.58	S	S	*	*				0	-51.3	0	-66.3	-106.9	-81.3	0	0	109.5	D3 V26	M1-D3 PolarHBondContact O-N 3.17Å; M1-V26 HydrophobicContact CE-CG1 4.16Å; M1-V26 HydrophobicContact SD-CG1 3.74Å
2	N	48.6	Very low	57.6	Low	171 Å²	171	98.9 Å²	98.9	91%	0.914	58%	0.584	S	S	*	*			trans	-72.3	16.9	172	-58.6	3.9	0	0	0	114.4
3	D	52.1	Low	57.6	Low	86 Å²	86	106.1 Å²	106.1	46%	0.46	60%	0.595	S	S	.	*			trans	-100.8	93.4	179.9	-162.9	-22.1	0	0	0	106.9	M1 S5 L6 L7	M1-D3 PolarHBondContact O-N 3.17Å; D3-S5 PolarHBondContact O-N 3.36Å; D3-S5 VanDerWaalsContact O-N 3.12Å; D3-S5 WeakPolarHBondContact OD1-CB 3.34Å; D3-S5 PolarHBondContact OD1-N 3.33Å; D3-S5 PolarHBondContact OD1-OG 3.47Å; D3-L6 HydrophobicContact CB-CB 4.44Å; D3-L6 PolarHBondContact O-N 3.41Å; D3-L7 PolarHBondContact O-N 3.26Å
4	E	58.4	Low	57.9	Low	168 Å²	168	107.3 Å²	107.3	79%	0.785	61%	0.614	S	S	*	*	H	α-helix	trans	-56.4	-25.8	-179.6	-70.2	-160.4	160.8	0	0	112	L6 L7 G8	E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.48Å; E4-L7 PolarHBondContact O-N 3.41Å; E4-G8 PolarHBondContact O-N 3.06Å
5	S	59.8	Low	58.9	Low	80 Å²	80	105.7 Å²	105.7	56%	0.559	60%	0.603	S	S	*	*	H	α-helix	trans	-63.2	-36.7	176.9	77.6	0	0	0	0	112.3	D3 A9	D3-S5 PolarHBondContact O-N 3.36Å; D3-S5 VanDerWaalsContact O-N 3.12Å; D3-S5 WeakPolarHBondContact OD1-CB 3.34Å; D3-S5 PolarHBondContact OD1-N 3.33Å; D3-S5 PolarHBondContact OD1-OG 3.47Å; S5-A9 WeakPolarHBondContact O-CB 3.25Å; S5-A9 PolarHBondContact O-N 2.86Å
6	L	57.9	Low	59.9	Low	108 Å²	108	105.4 Å²	105.4	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-74.7	-41.9	-179.3	-153.8	104.9	0	0	0	110.8	D3 E4 A9 L10	D3-L6 HydrophobicContact CB-CB 4.44Å; D3-L6 PolarHBondContact O-N 3.41Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.48Å; L6-A9 PolarHBondContact O-N 2.86Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 WeakPolarHBondContact O-CD1 3.49Å; L6-L10 VanDerWaalsContact O-CG 3.22Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.97Å
7	L	58.4	Low	60.8	Low	110 Å²	110	103.8 Å²	103.8	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-64.6	-42.9	175	-82	162.3	0	0	0	111.4	D3 E4 L10 A11	D3-L7 PolarHBondContact O-N 3.26Å; E4-L7 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 3.2Å
8	G	62.9	Low	61.3	Low	44 Å²	44	100.5 Å²	100.5	45%	0.454	59%	0.589	S	S	.	*	H	α-helix	trans	-62.6	-41.1	174.8	0	0	0	0	0	112.9	E4 L10 A11 S12	E4-G8 PolarHBondContact O-N 3.06Å; G8-L10 VanDerWaalsContact C-N 3.31Å; G8-L10 PolarHBondContact O-N 2.92Å; G8-A11 PolarHBondContact O-N 3.05Å; G8-S12 PolarHBondContact O-N 3.49Å; G8-S12 VanDerWaalsContact O-N 3.16Å
9	A	61.7	Low	61.9	Low	57 Å²	57	98.5 Å²	98.5	47%	0.471	58%	0.576	S	S	.	*	H	α-helix	trans	-64.3	-35.1	174.7	0	0	0	0	0	112.5	S5 L6 S12	S5-A9 WeakPolarHBondContact O-CB 3.25Å; S5-A9 PolarHBondContact O-N 2.86Å; L6-A9 PolarHBondContact O-N 2.86Å; A9-S12 PolarHBondContact O-OG 3.25Å
10	L	59.7	Low	62.6	Low	54 Å²	54	98.6 Å²	98.6	28%	0.283	57%	0.572	S	S	.	*	H	α-helix	trans	-74	-41.4	177.2	-71.3	165.9	0	0	0	112.3	L6 L7 G8 S12 R13 L22	L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 WeakPolarHBondContact O-CD1 3.49Å; L6-L10 VanDerWaalsContact O-CG 3.22Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 3.35Å; G8-L10 VanDerWaalsContact C-N 3.31Å; G8-L10 PolarHBondContact O-N 2.92Å; L10-S12 PolarHBondContact O-N 2.76Å; L10-R13 WeakPolarHBondContact O-CB 3.43Å; L10-R13 PolarHBondContact O-N 3.22Å; L10-R13 VanDerWaalsContact O-N 3.07Å; L10-L22 HydrophobicContact CB-CD2 4.4Å; L10-L22 HydrophobicContact CD1-CD2 3.6Å; L10-L22 HydrophobicContact CD2-CD2 3.56Å; L10-L22 HydrophobicContact CG-CD2 4.04Å
11	A	62.7	Low	63.2	Low	70 Å²	70	98.3 Å²	98.3	58%	0.579	57%	0.565	S	S	*	*	H	α-helix	trans	-62.4	-26.8	175.2	0	0	0	0	0	112.8	L7 G8 R13	L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 3.2Å; G8-A11 PolarHBondContact O-N 3.05Å; A11-R13 PolarHBondContact O-N 3.16Å
12	S	62.4	Low	64.6	Low	90 Å²	90	94.2 Å²	94.2	63%	0.629	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.4	175.2	78.9	0	0	0	0	114.3	G8 A9 L10 S14	G8-S12 PolarHBondContact O-N 3.49Å; G8-S12 VanDerWaalsContact O-N 3.16Å; A9-S12 PolarHBondContact O-OG 3.25Å; L10-S12 PolarHBondContact O-N 2.76Å; S12-S14 PolarHBondContact O-N 3.23Å
13	R	58.3	Low	65.9	Low	192 Å²	192	91.3 Å²	91.3	73%	0.725	53%	0.527	S	S	*	.	S	Bend	trans	-83	105	173.4	-66.3	-170.8	172.4	-160.8	-2	108.5	L10 A11 D15	L10-R13 WeakPolarHBondContact O-CB 3.43Å; L10-R13 PolarHBondContact O-N 3.22Å; L10-R13 VanDerWaalsContact O-N 3.07Å; A11-R13 PolarHBondContact O-N 3.16Å; R13-D15 PolarHBondContact O-N 3.41Å
14	S	60.5	Low	67.1	Low	123 Å²	123	92.8 Å²	92.8	86%	0.86	53%	0.531	S	S	*	.			trans	-64.9	22.3	-169	52.3	0	0	0	0	117.4	S12	S12-S14 PolarHBondContact O-N 3.23Å
15	D	73.6	Confident	67.9	Low	83 Å²	83	91.9 Å²	91.9	44%	0.444	52%	0.52	S	S	.	.			trans	-114.3	102.4	175.8	-174.4	1.5	0	0	0	110.5	R13 S17 A18 L19	R13-D15 PolarHBondContact O-N 3.41Å; D15-S17 PolarHBondContact O-N 3Å; D15-S17 PolarHBondContact OD1-N 3Å; D15-S17 PolarHBondContact OD1-OG 3.2Å; D15-S17 PolarHBondContact OD2-OG 2.98Å; D15-A18 HydrophobicContact CB-CB 4.02Å; D15-A18 PolarHBondContact O-N 3.22Å; D15-A18 VanDerWaalsContact O-N 3.13Å; D15-L19 PolarHBondContact O-N 2.84Å
16	P	74.4	Confident	68.7	Low	102 Å²	102	90.6 Å²	90.6	66%	0.662	51%	0.509	S	S	*	.	H	α-helix	trans	-54.3	-31.2	176.8	-25.5	34.1	0	0	0	113.7	L19 M20	P16-L19 PolarHBondContact O-N 3.22Å; P16-M20 PolarHBondContact O-N 3.05Å; P16-M20 VanDerWaalsContact O-N 3.08Å
17	S	75.3	Confident	69.6	Low	77 Å²	77	90.7 Å²	90.7	54%	0.538	51%	0.509	S	S	.	.	H	α-helix	trans	-71.1	-38.4	-179.9	93	0	0	0	0	111.4	D15 L19 M20 E21	D15-S17 PolarHBondContact O-N 3Å; D15-S17 PolarHBondContact OD1-N 3Å; D15-S17 PolarHBondContact OD1-OG 3.2Å; D15-S17 PolarHBondContact OD2-OG 2.98Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-M20 PolarHBondContact O-N 2.88Å; S17-E21 WeakPolarHBondContact O-CB 3.31Å; S17-E21 PolarHBondContact O-N 3.16Å
18	A	70.3	Confident	70.6	Confident	45 Å²	45	88.3 Å²	88.3	37%	0.372	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-36.6	176.5	0	0	0	0	0	111.9	D15 L22	D15-A18 HydrophobicContact CB-CB 4.02Å; D15-A18 PolarHBondContact O-N 3.22Å; D15-A18 VanDerWaalsContact O-N 3.13Å; A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 PolarHBondContact O-N 2.64Å
19	L	72.1	Confident	71.5	Confident	63 Å²	63	91.8 Å²	91.8	33%	0.33	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-47.4	174.4	-164.2	83.5	0	0	0	110.9	D15 P16 S17 E21 L22 E23	D15-L19 PolarHBondContact O-N 2.84Å; P16-L19 PolarHBondContact O-N 3.22Å; S17-L19 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 3.2Å; L19-L22 WeakPolarHBondContact O-CB 3.3Å; L19-L22 PolarHBondContact O-N 3.27Å; L19-E23 WeakPolarHBondContact O-CG 3.48Å; L19-E23 PolarHBondContact O-N 3.46Å
20	M	76.1	Confident	72.4	Confident	100 Å²	100	93 Å²	93	49%	0.493	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-42.6	177.2	-113.2	-142.8	71.9	0	0	112.6	P16 S17 L22 E23 Q24	P16-M20 PolarHBondContact O-N 3.05Å; P16-M20 VanDerWaalsContact O-N 3.08Å; S17-M20 PolarHBondContact O-N 2.88Å; M20-L22 VanDerWaalsContact C-N 3.29Å; M20-L22 PolarHBondContact O-N 3.36Å; M20-E23 PolarHBondContact O-N 3.2Å; M20-Q24 HydrophobicContact CE-CG 4.3Å; M20-Q24 WeakPolarHBondContact O-CG 3.32Å; M20-Q24 PolarHBondContact O-N 3.01Å
21	E	75.4	Confident	73.4	Confident	93 Å²	93	94.4 Å²	94.4	44%	0.435	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-38.3	176.3	-168	-175.1	169.6	0	0	111.1	S17 L19 Q24 R25	S17-E21 WeakPolarHBondContact O-CB 3.31Å; S17-E21 PolarHBondContact O-N 3.16Å; L19-E21 PolarHBondContact O-N 3.2Å; E21-Q24 PolarHBondContact O-N 2.91Å; E21-R25 VanDerWaalsContact O-CG 3.31Å; E21-R25 WeakPolarHBondContact O-CG 3.5Å; E21-R25 PolarHBondContact O-N 3.23Å; E21-R25 IonicContact OE1-CZ 2.68Å; E21-R25 VanDerWaalsContact OE1-CZ 3.32Å; E21-R25 IonicContact OE1-NE 3.25Å; E21-R25 PolarHBondContact OE1-NE 3.42Å; E21-R25 IonicContact OE1-NH2 2.87Å; E21-R25 PolarHBondContact OE1-NH2 3.07Å
22	L	75.3	Confident	74.4	Confident	62 Å²	62	94.6 Å²	94.6	33%	0.325	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-44.9	176	-173.7	67	0	0	0	111.9	L10 A18 L19 M20 Q24 R25 V26	L10-L22 HydrophobicContact CB-CD2 4.4Å; L10-L22 HydrophobicContact CD1-CD2 3.6Å; L10-L22 HydrophobicContact CD2-CD2 3.56Å; L10-L22 HydrophobicContact CG-CD2 4.04Å; A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 PolarHBondContact O-N 2.64Å; L19-L22 WeakPolarHBondContact O-CB 3.3Å; L19-L22 PolarHBondContact O-N 3.27Å; M20-L22 VanDerWaalsContact C-N 3.29Å; M20-L22 PolarHBondContact O-N 3.36Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.76Å; L22-R25 PolarHBondContact O-N 2.88Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.09Å
23	E	76.5	Confident	75.4	Confident	110 Å²	110	97.1 Å²	97.1	51%	0.514	51%	0.51	S	S	.	.	H	α-helix	trans	-56.8	-45.6	174.6	-75.3	178.3	168.4	0	0	111.4	L19 M20 R25 V26 L27	L19-E23 WeakPolarHBondContact O-CG 3.48Å; L19-E23 PolarHBondContact O-N 3.46Å; M20-E23 PolarHBondContact O-N 3.2Å; E23-R25 PolarHBondContact O-N 3.43Å; E23-V26 PolarHBondContact O-N 2.84Å; E23-L27 WeakPolarHBondContact O-CB 3.13Å; E23-L27 WeakPolarHBondContact O-CG 3.44Å; E23-L27 PolarHBondContact O-N 3.26Å
24	Q	76.5	Confident	76.6	Confident	117 Å²	117	94.3 Å²	94.3	55%	0.547	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-42.9	175.7	-75.6	-175.3	-9	0	0	112.4	M20 E21 L22 V26 L27 A28	M20-Q24 HydrophobicContact CE-CG 4.3Å; M20-Q24 WeakPolarHBondContact O-CG 3.32Å; M20-Q24 PolarHBondContact O-N 3.01Å; E21-Q24 PolarHBondContact O-N 2.91Å; L22-Q24 VanDerWaalsContact C-N 3.32Å; L22-Q24 PolarHBondContact O-N 2.76Å; Q24-V26 VanDerWaalsContact C-N 3.34Å; Q24-V26 PolarHBondContact O-N 3.02Å; Q24-L27 PolarHBondContact O-N 2.98Å; Q24-A28 WeakPolarHBondContact O-CB 3.47Å; Q24-A28 PolarHBondContact O-N 3.39Å
25	R	76.6	Confident	77.8	Confident	150 Å²	150	93.4 Å²	93.4	57%	0.566	49%	0.486	S	S	*	.	H	α-helix	trans	-64.7	-38.1	176.3	-73.8	175.5	-177.1	-157.6	3.9	112	E21 L22 E23 A28 L29	E21-R25 VanDerWaalsContact O-CG 3.31Å; E21-R25 WeakPolarHBondContact O-CG 3.5Å; E21-R25 PolarHBondContact O-N 3.23Å; E21-R25 IonicContact OE1-CZ 2.68Å; E21-R25 VanDerWaalsContact OE1-CZ 3.32Å; E21-R25 IonicContact OE1-NE 3.25Å; E21-R25 PolarHBondContact OE1-NE 3.42Å; E21-R25 IonicContact OE1-NH2 2.87Å; E21-R25 PolarHBondContact OE1-NH2 3.07Å; L22-R25 PolarHBondContact O-N 2.88Å; E23-R25 PolarHBondContact O-N 3.43Å; R25-A28 PolarHBondContact O-N 3.12Å; R25-L29 WeakPolarHBondContact O-CB 3.07Å; R25-L29 WeakPolarHBondContact O-CG 3.23Å; R25-L29 PolarHBondContact O-N 3.37Å
26	V	76.5	Confident	78.3	Confident	52 Å²	52	96.9 Å²	96.9	32%	0.315	49%	0.492	S	S	.	.	H	α-helix	trans	-66.3	-46.3	176.3	169.7	0	0	0	0	110.7	M1 L22 E23 Q24 A28 L29 Q30	M1-V26 HydrophobicContact CE-CG1 4.16Å; M1-V26 HydrophobicContact SD-CG1 3.74Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.09Å; E23-V26 PolarHBondContact O-N 2.84Å; Q24-V26 VanDerWaalsContact C-N 3.34Å; Q24-V26 PolarHBondContact O-N 3.02Å; V26-A28 VanDerWaalsContact C-N 3.32Å; V26-A28 PolarHBondContact O-N 3.42Å; V26-L29 PolarHBondContact O-N 2.85Å; V26-Q30 WeakPolarHBondContact O-CB 3.3Å; V26-Q30 PolarHBondContact O-N 2.74Å
27	L	76.2	Confident	78.6	Confident	111 Å²	111	96.2 Å²	96.2	58%	0.581	48%	0.481	S	S	*	.	H	α-helix	trans	-59.5	-42.5	174.8	-74.1	170.6	0	0	0	111.6	E23 Q24 Q30 C31	E23-L27 WeakPolarHBondContact O-CB 3.13Å; E23-L27 WeakPolarHBondContact O-CG 3.44Å; E23-L27 PolarHBondContact O-N 3.26Å; Q24-L27 PolarHBondContact O-N 2.98Å; L27-Q30 PolarHBondContact O-N 3.31Å; L27-C31 WeakPolarHBondContact O-CB 3.44Å; L27-C31 PolarHBondContact O-N 3.06Å
28	A	79.4	Confident	78.8	Confident	60 Å²	60	95.7 Å²	95.7	50%	0.496	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-41.7	175.7	0	0	0	0	0	112.4	Q24 R25 V26 C31 N32	Q24-A28 WeakPolarHBondContact O-CB 3.47Å; Q24-A28 PolarHBondContact O-N 3.39Å; R25-A28 PolarHBondContact O-N 3.12Å; V26-A28 VanDerWaalsContact C-N 3.32Å; V26-A28 PolarHBondContact O-N 3.42Å; A28-C31 PolarHBondContact O-N 3.13Å; A28-N32 WeakPolarHBondContact O-CB 3.38Å; A28-N32 PolarHBondContact O-N 3.45Å
29	L	82.2	Confident	79.5	Confident	117 Å²	117	96.5 Å²	96.5	61%	0.613	48%	0.475	S	S	*	.	H	α-helix	trans	-64.4	-40.9	174.4	-78.1	170	0	0	0	112	R25 V26 N32 Y33	R25-L29 WeakPolarHBondContact O-CB 3.07Å; R25-L29 WeakPolarHBondContact O-CG 3.23Å; R25-L29 PolarHBondContact O-N 3.37Å; V26-L29 PolarHBondContact O-N 2.85Å; L29-N32 PolarHBondContact O-N 2.84Å; L29-Y33 WeakPolarHBondContact O-CB 3.48Å; L29-Y33 PolarHBondContact O-N 3.01Å
30	Q	79.5	Confident	80.1	Confident	82 Å²	82	99.3 Å²	99.3	38%	0.383	49%	0.49	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177.2	-169.3	176.9	-3.8	0	0	111.4	V26 L27 Y33 K34	V26-Q30 WeakPolarHBondContact O-CB 3.3Å; V26-Q30 PolarHBondContact O-N 2.74Å; L27-Q30 PolarHBondContact O-N 3.31Å; Q30-Y33 PolarHBondContact O-N 2.93Å; Q30-K34 WeakPolarHBondContact O-CG 3.3Å; Q30-K34 PolarHBondContact O-N 3.19Å
31	C	81.4	Confident	80.3	Confident	84 Å²	84	97.7 Å²	97.7	57%	0.568	49%	0.485	S	S	*	.	H	α-helix	trans	-61.7	-46.8	172.9	-174.8	0	0	0	0	111.2	L27 A28 Y33 K34 Q35	L27-C31 WeakPolarHBondContact O-CB 3.44Å; L27-C31 PolarHBondContact O-N 3.06Å; A28-C31 PolarHBondContact O-N 3.13Å; C31-Y33 VanDerWaalsContact C-N 3.34Å; C31-Y33 PolarHBondContact O-N 3.34Å; C31-K34 PolarHBondContact O-N 3.45Å; C31-Q35 WeakPolarHBondContact O-CB 3.37Å; C31-Q35 PolarHBondContact O-N 2.97Å
32	N	83.1	Confident	80.6	Confident	73 Å²	73	97.3 Å²	97.3	39%	0.39	48%	0.483	S	S	.	.	H	α-helix	trans	-63.5	-38	177.8	-169.2	-82.2	0	0	0	112.6	A28 L29 Q35 R36	A28-N32 WeakPolarHBondContact O-CB 3.38Å; A28-N32 PolarHBondContact O-N 3.45Å; L29-N32 PolarHBondContact O-N 2.84Å; N32-Q35 PolarHBondContact O-N 3.22Å; N32-R36 PolarHBondContact O-N 3.25Å; N32-R36 PolarHBondContact OD1-NE 2.96Å; N32-R36 PolarHBondContact OD1-NH2 3.47Å
33	Y	84.2	Confident	81	Confident	143 Å²	143	100.6 Å²	100.6	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-65.9	-46.3	175.1	-178.6	-97.2	0	0	0	111.6	L29 Q30 C31 Q35 R36 Q37	L29-Y33 WeakPolarHBondContact O-CB 3.48Å; L29-Y33 PolarHBondContact O-N 3.01Å; Q30-Y33 PolarHBondContact O-N 2.93Å; C31-Y33 VanDerWaalsContact C-N 3.34Å; C31-Y33 PolarHBondContact O-N 3.34Å; Y33-Q35 VanDerWaalsContact C-N 3.34Å; Y33-Q35 PolarHBondContact O-N 3.33Å; Y33-R36 PolarHBondContact O-N 3.45Å; Y33-Q37 HydrophobicContact CD1-CG 4.31Å; Y33-Q37 HydrophobicContact CE1-CG 3.93Å; Y33-Q37 VanDerWaalsContact CE1-NE2 3.31Å; Y33-Q37 WeakPolarHBondContact O-CG 3.32Å; Y33-Q37 PolarHBondContact O-N 3.27Å; Y33-Q37 PolarHBondContact OH-NE2 2.92Å; Y33-Q37 VanDerWaalsContact OH-NE2 3.16Å
34	K	83	Confident	81.2	Confident	133 Å²	133	101.2 Å²	101.2	58%	0.578	50%	0.498	S	S	*	.	H	α-helix	trans	-59.9	-42.9	174.4	-77.1	-170.7	175.1	-170.2	0	111.8	Q30 C31 Q37 S38	Q30-K34 WeakPolarHBondContact O-CG 3.3Å; Q30-K34 PolarHBondContact O-N 3.19Å; C31-K34 PolarHBondContact O-N 3.45Å; K34-Q37 PolarHBondContact O-N 3.22Å; K34-S38 PolarHBondContact O-N 2.87Å
35	Q	85.6	Confident	81.3	Confident	104 Å²	104	99.2 Å²	99.2	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-48.2	175.7	-172.3	63.8	38.9	0	0	111.2	C31 N32 Y33 Q37 S38 D39	C31-Q35 WeakPolarHBondContact O-CB 3.37Å; C31-Q35 PolarHBondContact O-N 2.97Å; N32-Q35 PolarHBondContact O-N 3.22Å; Y33-Q35 VanDerWaalsContact C-N 3.34Å; Y33-Q35 PolarHBondContact O-N 3.33Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-Q37 PolarHBondContact O-N 2.89Å; Q35-S38 WeakPolarHBondContact O-CA 3.4Å; Q35-S38 WeakPolarHBondContact O-CB 3.11Å; Q35-S38 PolarHBondContact O-N 3.37Å; Q35-S38 VanDerWaalsContact O-N 3.1Å; Q35-D39 PolarHBondContact NE2-OD1 3.26Å; Q35-D39 PolarHBondContact O-N 2.87Å
36	R	84.3	Confident	81.6	Confident	156 Å²	156	98.5 Å²	98.5	59%	0.589	49%	0.486	S	S	*	.	H	α-helix	trans	-60.9	-38.3	177	-80.4	-168.6	-114.6	-169.9	-3.8	112.9	N32 Y33 D39 L40	N32-R36 PolarHBondContact O-N 3.25Å; N32-R36 PolarHBondContact OD1-NE 2.96Å; N32-R36 PolarHBondContact OD1-NH2 3.47Å; Y33-R36 PolarHBondContact O-N 3.45Å; R36-D39 PolarHBondContact O-N 3.45Å; R36-L40 WeakPolarHBondContact O-CB 2.97Å; R36-L40 PolarHBondContact O-N 2.97Å
37	Q	81.6	Confident	82	Confident	89 Å²	89	99 Å²	99	42%	0.416	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-44.4	173.6	-75.1	-173.6	-46.7	0	0	111.2	Y33 K34 Q35 L40 V41	Y33-Q37 HydrophobicContact CD1-CG 4.31Å; Y33-Q37 HydrophobicContact CE1-CG 3.93Å; Y33-Q37 VanDerWaalsContact CE1-NE2 3.31Å; Y33-Q37 WeakPolarHBondContact O-CG 3.32Å; Y33-Q37 PolarHBondContact O-N 3.27Å; Y33-Q37 PolarHBondContact OH-NE2 2.92Å; Y33-Q37 VanDerWaalsContact OH-NE2 3.16Å; K34-Q37 PolarHBondContact O-N 3.22Å; Q35-Q37 VanDerWaalsContact C-N 3.31Å; Q35-Q37 PolarHBondContact O-N 2.89Å; Q37-L40 PolarHBondContact O-N 3.38Å; Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.07Å; Q37-V41 PolarHBondContact O-N 2.94Å
38	S	79.2	Confident	82.3	Confident	66 Å²	66	98 Å²	98	46%	0.462	49%	0.485	S	S	.	.	H	α-helix	trans	-60.2	-47.8	175.4	-168.3	0	0	0	0	111.7	K34 Q35 L40 V41 E42	K34-S38 PolarHBondContact O-N 2.87Å; Q35-S38 WeakPolarHBondContact O-CA 3.4Å; Q35-S38 WeakPolarHBondContact O-CB 3.11Å; Q35-S38 PolarHBondContact O-N 3.37Å; Q35-S38 VanDerWaalsContact O-N 3.1Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.42Å; S38-V41 PolarHBondContact O-N 2.93Å; S38-E42 PolarHBondContact O-N 3.48Å
39	D	85.3	Confident	82.4	Confident	61 Å²	61	100.8 Å²	100.8	33%	0.326	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-39.3	178.9	-62.5	-14.9	0	0	0	111.4	Q35 R36 E42 Q43	Q35-D39 PolarHBondContact NE2-OD1 3.26Å; Q35-D39 PolarHBondContact O-N 2.87Å; R36-D39 PolarHBondContact O-N 3.45Å; D39-E42 PolarHBondContact O-N 2.87Å; D39-Q43 WeakPolarHBondContact O-CB 3.34Å; D39-Q43 VanDerWaalsContact O-CG 3.31Å; D39-Q43 WeakPolarHBondContact O-CG 3.47Å; D39-Q43 PolarHBondContact O-N 3.36Å
40	L	84.5	Confident	82.6	Confident	122 Å²	122	101.8 Å²	101.8	64%	0.639	49%	0.489	S	S	*	.	H	α-helix	trans	-66.2	-42	177.1	-127.5	108.2	0	0	0	111.8	R36 Q37 S38 E42 Q43 F44	R36-L40 WeakPolarHBondContact O-CB 2.97Å; R36-L40 PolarHBondContact O-N 2.97Å; Q37-L40 PolarHBondContact O-N 3.38Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 3.42Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-Q43 PolarHBondContact O-N 2.89Å; L40-F44 WeakPolarHBondContact O-CB 3.42Å; L40-F44 PolarHBondContact O-N 2.8Å
41	V	79.1	Confident	82.8	Confident	66 Å²	66	101.8 Å²	101.8	40%	0.4	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-43	176	170.2	0	0	0	0	110	Q37 S38 F44 Q45	Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.07Å; Q37-V41 PolarHBondContact O-N 2.94Å; S38-V41 PolarHBondContact O-N 2.93Å; V41-F44 PolarHBondContact O-N 3.29Å; V41-Q45 WeakPolarHBondContact O-CG 3.39Å; V41-Q45 PolarHBondContact O-N 3.42Å
42	E	82	Confident	82.8	Confident	85 Å²	85	99.6 Å²	99.6	40%	0.397	48%	0.479	S	S	.	.	H	α-helix	trans	-66	-43	178	-161	-174.8	168.2	0	0	112	S38 D39 L40 F44 Q45 R46	S38-E42 PolarHBondContact O-N 3.48Å; D39-E42 PolarHBondContact O-N 2.87Å; L40-E42 VanDerWaalsContact C-N 3.33Å; E42-F44 PolarHBondContact O-N 3.22Å; E42-Q45 PolarHBondContact O-N 3.24Å; E42-R46 WeakPolarHBondContact O-CG 3.36Å; E42-R46 PolarHBondContact O-N 3.4Å; E42-R46 IonicContact OE1-CZ 3.82Å; E42-R46 IonicContact OE1-NE 3.68Å; E42-R46 IonicContact OE1-NH2 3.58Å; E42-R46 PolarHBondContact OE1-NH2 3.08Å
43	Q	84.1	Confident	82.7	Confident	131 Å²	131	98.9 Å²	98.9	61%	0.612	48%	0.483	S	S	*	.	H	α-helix	trans	-61.2	-43.3	173.8	-77.2	178.4	14	0	0	112.1	D39 L40 R46 S47	D39-Q43 WeakPolarHBondContact O-CB 3.34Å; D39-Q43 VanDerWaalsContact O-CG 3.31Å; D39-Q43 WeakPolarHBondContact O-CG 3.47Å; D39-Q43 PolarHBondContact O-N 3.36Å; L40-Q43 PolarHBondContact O-N 2.89Å; Q43-R46 PolarHBondContact O-N 2.83Å; Q43-S47 WeakPolarHBondContact O-CB 3.27Å; Q43-S47 PolarHBondContact O-N 3.35Å
44	F	81.6	Confident	82.8	Confident	123 Å²	123	95.3 Å²	95.3	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-44.3	176	-179.1	-102.7	0	0	0	111.2	L40 V41 E42 S47 Q48	L40-F44 WeakPolarHBondContact O-CB 3.42Å; L40-F44 PolarHBondContact O-N 2.8Å; V41-F44 PolarHBondContact O-N 3.29Å; E42-F44 PolarHBondContact O-N 3.22Å; F44-S47 PolarHBondContact O-N 2.78Å; F44-Q48 HydrophobicContact CD1-CG 4.19Å; F44-Q48 HydrophobicContact CE1-CG 3.79Å; F44-Q48 HydrophobicContact CE2-CG 4.25Å; F44-Q48 HydrophobicContact CZ-CG 3.82Å; F44-Q48 WeakPolarHBondContact O-CG 3.44Å; F44-Q48 PolarHBondContact O-N 2.9Å
45	Q	77.3	Confident	82.7	Confident	76 Å²	76	93.2 Å²	93.2	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-44.9	175.6	-77.3	-179.1	-2	0	0	112.3	V41 E42 S47 Q48 Q49	V41-Q45 WeakPolarHBondContact O-CG 3.39Å; V41-Q45 PolarHBondContact O-N 3.42Å; E42-Q45 PolarHBondContact O-N 3.24Å; Q45-S47 VanDerWaalsContact C-N 3.35Å; Q45-S47 PolarHBondContact O-N 3.49Å; Q45-Q48 PolarHBondContact O-N 3.35Å; Q45-Q49 WeakPolarHBondContact O-CB 3.48Å; Q45-Q49 WeakPolarHBondContact O-CG 3.41Å; Q45-Q49 PolarHBondContact O-N 3.03Å
46	R	83.8	Confident	82.6	Confident	135 Å²	135	92.3 Å²	92.3	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-59.2	-45.8	175.3	-72.4	177.8	-170.9	-174.2	4.3	111.3	E42 Q43 Q48 Q49 E50	E42-R46 WeakPolarHBondContact O-CG 3.36Å; E42-R46 PolarHBondContact O-N 3.4Å; E42-R46 IonicContact OE1-CZ 3.82Å; E42-R46 IonicContact OE1-NE 3.68Å; E42-R46 IonicContact OE1-NH2 3.58Å; E42-R46 PolarHBondContact OE1-NH2 3.08Å; Q43-R46 PolarHBondContact O-N 2.83Å; R46-Q48 VanDerWaalsContact C-N 3.35Å; R46-Q48 PolarHBondContact O-N 3.18Å; R46-Q49 PolarHBondContact O-N 3.13Å; R46-E50 WeakPolarHBondContact O-CG 3.21Å; R46-E50 PolarHBondContact O-N 2.69Å
47	S	83.6	Confident	82.6	Confident	62 Å²	62	87 Å²	87	43%	0.434	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-40.9	176.6	-179.2	0	0	0	0	112.5	Q43 F44 Q45 L51	Q43-S47 WeakPolarHBondContact O-CB 3.27Å; Q43-S47 PolarHBondContact O-N 3.35Å; F44-S47 PolarHBondContact O-N 2.78Å; Q45-S47 VanDerWaalsContact C-N 3.35Å; Q45-S47 PolarHBondContact O-N 3.49Å; S47-L51 WeakPolarHBondContact O-CB 3.37Å; S47-L51 PolarHBondContact O-N 3.46Å
48	Q	82.7	Confident	82.8	Confident	91 Å²	91	86.6 Å²	86.6	43%	0.425	46%	0.457	S	S	.	.	H	α-helix	trans	-66.1	-38.6	175	-68.7	-58.4	-59.2	0	0	112.2	F44 Q45 R46 A52	F44-Q48 HydrophobicContact CD1-CG 4.19Å; F44-Q48 HydrophobicContact CE1-CG 3.79Å; F44-Q48 HydrophobicContact CE2-CG 4.25Å; F44-Q48 HydrophobicContact CZ-CG 3.82Å; F44-Q48 WeakPolarHBondContact O-CG 3.44Å; F44-Q48 PolarHBondContact O-N 2.9Å; Q45-Q48 PolarHBondContact O-N 3.35Å; R46-Q48 VanDerWaalsContact C-N 3.35Å; R46-Q48 PolarHBondContact O-N 3.18Å; Q48-A52 WeakPolarHBondContact O-CB 3.1Å; Q48-A52 PolarHBondContact O-N 3.2Å
49	Q	82.2	Confident	82.8	Confident	117 Å²	117	86.1 Å²	86.1	55%	0.547	45%	0.453	S	S	.	.	H	α-helix	trans	-67.1	-43.6	176.4	-74.6	176	-1.9	0	0	112.1	Q45 R46 A52 A53	Q45-Q49 WeakPolarHBondContact O-CB 3.48Å; Q45-Q49 WeakPolarHBondContact O-CG 3.41Å; Q45-Q49 PolarHBondContact O-N 3.03Å; R46-Q49 PolarHBondContact O-N 3.13Å; Q49-A52 PolarHBondContact O-N 2.71Å; Q49-A53 WeakPolarHBondContact O-CB 3.16Å; Q49-A53 PolarHBondContact O-N 2.95Å
50	E	85.6	Confident	82.7	Confident	138 Å²	138	88.6 Å²	88.6	65%	0.645	46%	0.463	S	S	*	.	H	α-helix	trans	-61.6	-43.7	175.4	-74	172.8	-179.1	0	0	111.4	R46 A53 S54	R46-E50 WeakPolarHBondContact O-CG 3.21Å; R46-E50 PolarHBondContact O-N 2.69Å; E50-A53 PolarHBondContact O-N 3.29Å; E50-S54 WeakPolarHBondContact O-CB 3.44Å; E50-S54 PolarHBondContact O-N 3.26Å
51	L	85.4	Confident	82.8	Confident	82 Å²	82	87.9 Å²	87.9	43%	0.429	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-42.6	175.9	-175.3	63.1	0	0	0	111.7	S47 S54 H55	S47-L51 WeakPolarHBondContact O-CB 3.37Å; S47-L51 PolarHBondContact O-N 3.46Å; L51-S54 PolarHBondContact O-N 3.26Å; L51-H55 VanDerWaalsContact O-CG 3.29Å; L51-H55 PolarHBondContact O-N 2.84Å; L51-H55 PolarHBondContact O-ND1 3.49Å
52	A	79.9	Confident	83	Confident	38 Å²	38	87.5 Å²	87.5	31%	0.314	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-43.7	176	0	0	0	0	0	112	Q48 Q49 H55 I56	Q48-A52 WeakPolarHBondContact O-CB 3.1Å; Q48-A52 PolarHBondContact O-N 3.2Å; Q49-A52 PolarHBondContact O-N 2.71Å; A52-H55 PolarHBondContact O-N 3.12Å; A52-I56 WeakPolarHBondContact O-CG1 3.41Å; A52-I56 PolarHBondContact O-N 3.49Å
53	A	82.5	Confident	83	Confident	58 Å²	58	88.2 Å²	88.2	48%	0.479	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.4	0	0	0	0	0	111.7	Q49 E50 H55 I56 A57	Q49-A53 WeakPolarHBondContact O-CB 3.16Å; Q49-A53 PolarHBondContact O-N 2.95Å; E50-A53 PolarHBondContact O-N 3.29Å; A53-H55 VanDerWaalsContact C-N 3.34Å; A53-H55 PolarHBondContact O-N 3.07Å; A53-I56 PolarHBondContact O-N 3.3Å; A53-A57 WeakPolarHBondContact O-CB 3.07Å; A53-A57 PolarHBondContact O-N 3.27Å
54	S	86	Confident	82.9	Confident	69 Å²	69	88.2 Å²	88.2	48%	0.483	46%	0.461	S	S	.	.	H	α-helix	trans	-59.8	-42.8	174.5	-174	0	0	0	0	111.9	E50 L51 A57 E58	E50-S54 WeakPolarHBondContact O-CB 3.44Å; E50-S54 PolarHBondContact O-N 3.26Å; L51-S54 PolarHBondContact O-N 3.26Å; S54-A57 PolarHBondContact O-N 3.46Å; S54-E58 WeakPolarHBondContact O-CB 3.38Å; S54-E58 PolarHBondContact O-N 2.89Å
55	H	80.5	Confident	82.8	Confident	88 Å²	88	86.3 Å²	86.3	41%	0.407	45%	0.454	S	S	.	.	H	α-helix	trans	-67.1	-38.2	177.4	-70.8	161.1	0	0	0	112.8	L51 A52 A53 E58 S59	L51-H55 VanDerWaalsContact O-CG 3.29Å; L51-H55 PolarHBondContact O-N 2.84Å; L51-H55 PolarHBondContact O-ND1 3.49Å; A52-H55 PolarHBondContact O-N 3.12Å; A53-H55 VanDerWaalsContact C-N 3.34Å; A53-H55 PolarHBondContact O-N 3.07Å; H55-E58 PolarHBondContact O-N 3.1Å; H55-S59 WeakPolarHBondContact O-CB 3.48Å; H55-S59 PolarHBondContact O-N 2.68Å; H55-S59 PolarHBondContact O-OG 3.4Å
56	I	84.3	Confident	82.7	Confident	85 Å²	85	86 Å²	86	44%	0.436	45%	0.452	S	S	.	.	H	α-helix	trans	-63.1	-48	175.3	-70	167.4	0	0	0	109.6	A52 A53 E58 S59 Q60	A52-I56 WeakPolarHBondContact O-CG1 3.41Å; A52-I56 PolarHBondContact O-N 3.49Å; A53-I56 PolarHBondContact O-N 3.3Å; I56-E58 PolarHBondContact O-N 3.04Å; I56-S59 WeakPolarHBondContact CA-OG 3.3Å; I56-S59 PolarHBondContact O-N 2.99Å; I56-S59 PolarHBondContact O-OG 3.11Å; I56-Q60 HydrophobicContact CG2-CG 4.38Å; I56-Q60 WeakPolarHBondContact O-CG 3.43Å; I56-Q60 PolarHBondContact O-N 3.37Å
57	A	83.8	Confident	82.4	Confident	45 Å²	45	84.2 Å²	84.2	37%	0.372	45%	0.451	S	S	.	.	H	α-helix	trans	-59.7	-43.7	177.7	0	0	0	0	0	112.2	A53 S54 S59 Q60 N61	A53-A57 WeakPolarHBondContact O-CB 3.07Å; A53-A57 PolarHBondContact O-N 3.27Å; S54-A57 PolarHBondContact O-N 3.46Å; A57-S59 PolarHBondContact O-N 3.16Å; A57-Q60 PolarHBondContact O-N 3.44Å; A57-N61 PolarHBondContact O-N 3.23Å
58	E	85.3	Confident	82.2	Confident	81 Å²	81	88.5 Å²	88.5	38%	0.379	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-42.3	175.8	-168.8	177.1	-169.7	0	0	111.6	S54 H55 I56 Q60 N61 L62	S54-E58 WeakPolarHBondContact O-CB 3.38Å; S54-E58 PolarHBondContact O-N 2.89Å; H55-E58 PolarHBondContact O-N 3.1Å; I56-E58 PolarHBondContact O-N 3.04Å; E58-Q60 PolarHBondContact O-N 2.67Å; E58-N61 PolarHBondContact O-N 3.25Å; E58-L62 WeakPolarHBondContact O-CG 3.23Å; E58-L62 PolarHBondContact O-N 3.42Å
59	S	79.8	Confident	81.9	Confident	56 Å²	56	87.6 Å²	87.6	39%	0.392	46%	0.458	S	S	.	.	H	α-helix	trans	-66.7	-36	177.4	73	0	0	0	0	113.3	H55 I56 A57 L62 L63	H55-S59 WeakPolarHBondContact O-CB 3.48Å; H55-S59 PolarHBondContact O-N 2.68Å; H55-S59 PolarHBondContact O-OG 3.4Å; I56-S59 WeakPolarHBondContact CA-OG 3.3Å; I56-S59 PolarHBondContact O-N 2.99Å; I56-S59 PolarHBondContact O-OG 3.11Å; A57-S59 PolarHBondContact O-N 3.16Å; S59-L62 PolarHBondContact O-N 2.86Å; S59-L63 WeakPolarHBondContact O-CB 3.31Å; S59-L63 PolarHBondContact O-N 3.42Å
60	Q	83.5	Confident	81.3	Confident	112 Å²	112	90.7 Å²	90.7	52%	0.523	47%	0.465	S	S	.	.	H	α-helix	trans	-67.2	-44.7	175	-76.5	177.1	-23.5	0	0	110.9	I56 A57 E58 L62 L63 E64	I56-Q60 HydrophobicContact CG2-CG 4.38Å; I56-Q60 WeakPolarHBondContact O-CG 3.43Å; I56-Q60 PolarHBondContact O-N 3.37Å; A57-Q60 PolarHBondContact O-N 3.44Å; E58-Q60 PolarHBondContact O-N 2.67Å; Q60-L62 VanDerWaalsContact C-N 3.33Å; Q60-L62 PolarHBondContact O-N 2.99Å; Q60-L63 PolarHBondContact O-N 3.46Å; Q60-L63 VanDerWaalsContact O-N 3.14Å; Q60-E64 PolarHBondContact O-N 3.31Å
61	N	85.9	Confident	80.5	Confident	107 Å²	107	88 Å²	88	57%	0.572	46%	0.461	S	S	*	.	H	α-helix	trans	-58.8	-43.3	174.8	-78.4	-20.3	0	0	0	112	A57 E58 L63 E64 E65	A57-N61 PolarHBondContact O-N 3.23Å; E58-N61 PolarHBondContact O-N 3.25Å; N61-L63 VanDerWaalsContact C-N 3.34Å; N61-L63 PolarHBondContact O-N 2.87Å; N61-E64 PolarHBondContact O-N 2.94Å; N61-E65 WeakPolarHBondContact O-CB 3.49Å; N61-E65 PolarHBondContact O-N 3.27Å
62	L	82.8	Confident	79.3	Confident	59 Å²	59	87.8 Å²	87.8	31%	0.309	47%	0.471	S	S	.	.	H	α-helix	trans	-64.9	-37.4	175.9	-71.7	172.7	0	0	0	112.3	E58 S59 Q60 F66 F122	E58-L62 WeakPolarHBondContact O-CG 3.23Å; E58-L62 PolarHBondContact O-N 3.42Å; S59-L62 PolarHBondContact O-N 2.86Å; Q60-L62 VanDerWaalsContact C-N 3.33Å; Q60-L62 PolarHBondContact O-N 2.99Å; L62-F66 WeakPolarHBondContact O-CB 3.5Å; L62-F66 PolarHBondContact O-N 3.44Å; L62-F122 HydrophobicContact CD1-CD2 3.98Å; L62-F122 HydrophobicContact CD1-CE2 4.16Å; L62-F122 HydrophobicContact CD1-CG 4.31Å
63	L	82.2	Confident	78	Confident	100 Å²	100	92.6 Å²	92.6	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-68.7	-41.4	176.4	-177	63.9	0	0	0	111.8	S59 Q60 N61 F66 L67	S59-L63 WeakPolarHBondContact O-CB 3.31Å; S59-L63 PolarHBondContact O-N 3.42Å; Q60-L63 PolarHBondContact O-N 3.46Å; Q60-L63 VanDerWaalsContact O-N 3.14Å; N61-L63 VanDerWaalsContact C-N 3.34Å; N61-L63 PolarHBondContact O-N 2.87Å; L63-F66 WeakPolarHBondContact O-CB 3.21Å; L63-F66 PolarHBondContact O-N 3.32Å; L63-L67 HydrophobicContact CG-CD1 4.18Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.21Å; L63-L67 PolarHBondContact O-N 3.1Å
64	E	81.4	Confident	76.2	Confident	131 Å²	131	92.7 Å²	92.7	61%	0.612	49%	0.487	S	S	*	.	H	α-helix	trans	-64.2	-42.8	174.5	-75.9	-174	-177.3	0	0	111.7	Q60 N61 F66 L67 K68	Q60-E64 PolarHBondContact O-N 3.31Å; N61-E64 PolarHBondContact O-N 2.94Å; E64-F66 VanDerWaalsContact C-N 3.29Å; E64-F66 PolarHBondContact O-N 3.34Å; E64-L67 PolarHBondContact O-N 2.9Å; E64-K68 VanDerWaalsContact O-CB 3.3Å; E64-K68 WeakPolarHBondContact O-CB 3.42Å; E64-K68 PolarHBondContact O-N 2.92Å
65	E	80.8	Confident	74.2	Confident	82 Å²	82	95 Å²	95	38%	0.383	50%	0.501	S	S	.	.	H	α-helix	trans	-58.1	-44.6	173.8	-162.2	-178.8	-172.3	0	0	110.3	N61 K68 E69 K118	N61-E65 WeakPolarHBondContact O-CB 3.49Å; N61-E65 PolarHBondContact O-N 3.27Å; E65-K68 PolarHBondContact O-N 3.07Å; E65-E69 PolarHBondContact O-N 2.96Å; E65-K118 VanDerWaalsContact CD-NZ 3.28Å; E65-K118 IonicContact OE1-NZ 2.69Å; E65-K118 PolarHBondContact OE1-NZ 3.01Å; E65-K118 IonicContact OE2-NZ 2.8Å; E65-K118 PolarHBondContact OE2-NZ 3.29Å; E65-K118 VanDerWaalsContact OE2-NZ 3.09Å
66	F	75.3	Confident	72.4	Confident	71 Å²	71	96.8 Å²	96.8	31%	0.311	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-45	176	178.4	-97.2	0	0	0	113.4	L62 L63 E64 E69 R70 I111 T115	L62-F66 WeakPolarHBondContact O-CB 3.5Å; L62-F66 PolarHBondContact O-N 3.44Å; L63-F66 WeakPolarHBondContact O-CB 3.21Å; L63-F66 PolarHBondContact O-N 3.32Å; E64-F66 VanDerWaalsContact C-N 3.29Å; E64-F66 PolarHBondContact O-N 3.34Å; F66-E69 PolarHBondContact O-N 3.32Å; F66-R70 PolarHBondContact O-N 2.79Å; F66-R70 VanDerWaalsContact O-N 3.12Å; F66-I111 HydrophobicContact CE2-CD1 4.23Å; F66-I111 HydrophobicContact CE2-CG1 4.44Å; F66-T115 HydrophobicContact CD2-CG2 4.45Å
67	L	77.4	Confident	70.3	Confident	96 Å²	96	100.1 Å²	100.1	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-67.5	-37.3	178.6	-71.4	170.4	0	0	0	111.7	L63 E64 R70 S71	L63-L67 HydrophobicContact CG-CD1 4.18Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.21Å; L63-L67 PolarHBondContact O-N 3.1Å; E64-L67 PolarHBondContact O-N 2.9Å; L67-R70 PolarHBondContact O-N 3.27Å; L67-S71 PolarHBondContact O-N 2.82Å; L67-S71 PolarHBondContact O-OG 3.26Å
68	K	79.3	Confident	68	Low	153 Å²	153	108.6 Å²	108.6	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-64	-45.9	176.3	-167.2	175.6	-177.7	177.8	0	111.3	E64 E65 R70 S71 A72	E64-K68 VanDerWaalsContact O-CB 3.3Å; E64-K68 WeakPolarHBondContact O-CB 3.42Å; E64-K68 PolarHBondContact O-N 2.92Å; E65-K68 PolarHBondContact O-N 3.07Å; K68-R70 VanDerWaalsContact C-N 3.29Å; K68-R70 PolarHBondContact O-N 3.38Å; K68-S71 PolarHBondContact O-N 3.07Å; K68-S71 PolarHBondContact O-OG 3.2Å; K68-A72 PolarHBondContact O-N 2.83Å; K68-A72 VanDerWaalsContact O-N 3.07Å
69	E	75.1	Confident	65.6	Low	71 Å²	71	114 Å²	114	33%	0.332	58%	0.583	S	S	.	*	H	α-helix	trans	-56.6	-43.2	173	-77.6	-172.7	166.6	0	0	111.5	E65 F66 A72 H73 T115	E65-E69 PolarHBondContact O-N 2.96Å; F66-E69 PolarHBondContact O-N 3.32Å; E69-A72 PolarHBondContact O-N 3.43Å; E69-H73 PolarHBondContact O-CD2 2.84Å; E69-H73 VanDerWaalsContact O-CD2 3.23Å; E69-H73 PolarHBondContact O-N 3.21Å; E69-T115 PolarHBondContact OE1-OG1 2.98Å; E69-T115 PolarHBondContact OE2-OG1 3.3Å
70	R	70.4	Confident	63.5	Low	183 Å²	183	116.2 Å²	116.2	69%	0.691	60%	0.598	S	S	*	*	H	α-helix	trans	-68.2	-36.7	-179.7	-156.8	177.8	177.9	178.9	-0.5	113	F66 L67 K68 H73 A74	F66-R70 PolarHBondContact O-N 2.79Å; F66-R70 VanDerWaalsContact O-N 3.12Å; L67-R70 PolarHBondContact O-N 3.27Å; K68-R70 VanDerWaalsContact C-N 3.29Å; K68-R70 PolarHBondContact O-N 3.38Å; R70-H73 PolarHBondContact O-N 2.62Å; R70-A74 PolarHBondContact O-N 3.23Å
71	S	69.3	Low	61.2	Low	80 Å²	80	116 Å²	116	56%	0.559	61%	0.609	S	S	*	*	H	α-helix	trans	-70.3	-35.5	177.5	70.6	0	0	0	0	113.1	L67 K68 H73 A74	L67-S71 PolarHBondContact O-N 2.82Å; L67-S71 PolarHBondContact O-OG 3.26Å; K68-S71 PolarHBondContact O-N 3.07Å; K68-S71 PolarHBondContact O-OG 3.2Å; S71-H73 PolarHBondContact O-N 3.45Å; S71-A74 PolarHBondContact O-N 3.24Å
72	A	60.7	Low	58.5	Low	78 Å²	78	119.3 Å²	119.3	65%	0.645	63%	0.626	S	S	*	*	H	α-helix	trans	-67.7	-21.4	177.3	0	0	0	0	0	113.1	K68 E69	K68-A72 PolarHBondContact O-N 2.83Å; K68-A72 VanDerWaalsContact O-N 3.07Å; E69-A72 PolarHBondContact O-N 3.43Å
73	H	51.7	Low	56.1	Low	139 Å²	139	122.2 Å²	122.2	64%	0.644	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	7.2	177.9	-68.7	-56	0	0	0	114.3	E69 R70 S71 P75	E69-H73 PolarHBondContact O-CD2 2.84Å; E69-H73 VanDerWaalsContact O-CD2 3.23Å; E69-H73 PolarHBondContact O-N 3.21Å; R70-H73 PolarHBondContact O-N 2.62Å; S71-H73 PolarHBondContact O-N 3.45Å; H73-P75 WeakPolarHBondContact O-CD 3.44Å
74	A	45.8	Very low	53.6	Low	60 Å²	60	123.7 Å²	123.7	50%	0.496	66%	0.662	S	S	.	*	S	Bend	trans	-70.4	120.2	172.3	0	0	0	0	0	109.5	R70 S71 V76	R70-A74 PolarHBondContact O-N 3.23Å; S71-A74 PolarHBondContact O-N 3.24Å; A74-V76 PolarHBondContact O-N 3.2Å; A74-V76 VanDerWaalsContact O-N 3.11Å
75	P	43	Very low	50.9	Low	117 Å²	117	125.5 Å²	125.5	76%	0.76	67%	0.672	S	S	*	*			trans	-64.3	118.6	-178.1	23.8	-30.6	0	0	0	109.9	H73 L77	H73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-L77 PolarHBondContact O-N 2.91Å
76	V	42.2	Very low	48.5	Very low	127 Å²	127	127.1 Å²	127.1	77%	0.77	69%	0.692	S	S	*	*			trans	-61.1	101.4	168.3	178.6	0	0	0	0	107.1	A74 R78	A74-V76 PolarHBondContact O-N 3.2Å; A74-V76 VanDerWaalsContact O-N 3.11Å; V76-R78 HydrophobicContact CG1-CG 4.34Å; V76-R78 PolarHBondContact O-N 3.4Å
77	L	40.2	Very low	46.6	Very low	154 Å²	154	129.4 Å²	129.4	81%	0.806	71%	0.714	S	S	*	*			trans	-62.1	91.7	166.9	-77.9	167.3	0	0	0	107.4	P75 H79	P75-L77 PolarHBondContact O-N 2.91Å; L77-H79 PolarHBondContact O-N 2.96Å; L77-H79 VanDerWaalsContact O-N 3.08Å
78	R	36.7	Very low	44.3	Very low	223 Å²	223	133 Å²	133	84%	0.842	73%	0.734	S	S	*	*			trans	-64.7	109.9	169.8	-78.9	-172.6	176.3	-178.2	-0.3	107.5	V76 S80	V76-R78 HydrophobicContact CG1-CG 4.34Å; V76-R78 PolarHBondContact O-N 3.4Å; R78-S80 VanDerWaalsContact C-N 3.35Å; R78-S80 PolarHBondContact O-N 3.29Å
79	H	34.4	Very low	41.8	Very low	195 Å²	195	131.8 Å²	131.8	90%	0.903	74%	0.741	S	S	*	*			trans	-55.9	93.2	167.1	-72.1	-82	0	0	0	110.2	L77	L77-H79 PolarHBondContact O-N 2.96Å; L77-H79 VanDerWaalsContact O-N 3.08Å
80	S	36.3	Very low	39.4	Very low	102 Å²	102	140 Å²	140	71%	0.713	77%	0.769	S	S	*	*			trans	-102.6	97.8	162.3	54.9	0	0	0	0	108.8	R78	R78-S80 VanDerWaalsContact C-N 3.35Å; R78-S80 PolarHBondContact O-N 3.29Å
81	S	33.5	Very low	37.4	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	77%	0.773	S	S	*	*			trans	39.6	94.1	144.7	55.1	0	0	0	0	117.4	P83	S81-P83 WeakPolarHBondContact O-CD 3.46Å
82	L	29.5	Very low	35.4	Very low	176 Å²	176	137 Å²	137	92%	0.921	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-80.3	119.2	158.7	-84.4	156.4	0	0	0	109.2
83	P	33.5	Very low	33.7	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.6	141.5	170.1	-6.2	24.2	0	0	0	111.3	S81	S81-P83 WeakPolarHBondContact O-CD 3.46Å
84	T	29.5	Very low	32.5	Very low	131 Å²	131	138.4 Å²	138.4	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-52.3	135.9	174.5	13.9	0	0	0	0	115.5
85	M	25	Very low	31.4	Very low	169 Å²	169	143.5 Å²	143.5	83%	0.833	80%	0.804	S	S	*	*			trans	56.4	118	140	-62.2	-108.4	85.2	0	0	120.4
86	S	29.3	Very low	30.6	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	81%	0.807	S	S	*	*				164.4	158.7	113.6	51	0	0	0	0	111.8
87	P	36.3	Very low	29.9	Very low	119 Å²	119	143.1 Å²	143.1	77%	0.773	81%	0.81	S	S	*	*			trans	-96.2	155.3	-138.5	35.5	-34	0	0	0	116
88	L	28.5	Very low	29.2	Very low	173 Å²	173	140.6 Å²	140.6	91%	0.906	81%	0.811	S	S	*	*			trans	-37	136	168.7	-71.4	150.8	0	0	0	115.1
89	P	27.8	Very low	28.7	Very low	126 Å²	126	135 Å²	135	82%	0.818	81%	0.807	S	S	*	*			trans	-115.1	146.1	145.8	27.5	-12	0	0	0	113.1
90	R	24.9	Very low	28.4	Very low	243 Å²	243	131.5 Å²	131.5	92%	0.917	80%	0.804	S	S	*	*			trans	-44.8	138.5	178	-84.8	164.4	163.6	158.4	-5.1	116.6
91	A	27.3	Very low	28	Very low	95 Å²	95	130 Å²	130	79%	0.785	80%	0.804	S	S	*	*			trans	9.1	117.4	132.5	0	0	0	0	0	118.7
92	S	26.9	Very low	27.7	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	81%	0.811	S	S	*	*				-177.3	125.1	126	54	0	0	0	0	110.9
93	S	26	Very low	27.8	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	80%	0.804	S	S	*	*			trans	68.5	126.8	133.5	-55.3	0	0	0	0	121.8
94	I	26	Very low	27.7	Very low	141 Å²	141	126.9 Å²	126.9	72%	0.723	80%	0.803	S	S	*	*			trans	93.8	108.9	137.4	-66	161.4	0	0	0	118.8
95	E	23.3	Very low	27.8	Very low	167 Å²	167	124.3 Å²	124.3	78%	0.78	80%	0.803	S	S	*	*				59.4	134	129.7	-58.1	-179.3	151	0	0	123.2
96	T	24.8	Very low	28.2	Very low	133 Å²	133	125.4 Å²	125.4	82%	0.816	81%	0.805	S	S	*	*			trans	55	99.4	141.2	50.2	0	0	0	0	119.7
97	A	28.8	Very low	28.4	Very low	103 Å²	103	125 Å²	125	85%	0.851	80%	0.803	S	S	*	*				-156.5	117.9	128.9	0	0	0	0	0	110.6
98	A	24	Very low	28.5	Very low	100 Å²	100	124.6 Å²	124.6	83%	0.826	80%	0.8	S	S	*	*			trans	-69	131.7	165.3	0	0	0	0	0	110.1
99	S	27.3	Very low	29.1	Very low	106 Å²	106	122 Å²	122	74%	0.741	80%	0.795	S	S	*	*			trans	-179.4	122.3	135.7	45.4	0	0	0	0	111.3
100	S	27.6	Very low	29.7	Very low	122 Å²	122	121.5 Å²	121.5	85%	0.853	79%	0.79	S	S	*	*			trans	38.1	102.8	144.9	58.6	0	0	0	0	119.3
101	G	29	Very low	31.1	Very low	69 Å²	69	114 Å²	114	71%	0.711	77%	0.767	S	S	*	*			trans	-177.8	79.5	157.5	0	0	0	0	0	110.7	P103	G101-P103 WeakPolarHBondContact O-CD 3.37Å
102	S	27.2	Very low	33.1	Very low	128 Å²	128	112.1 Å²	112.1	90%	0.895	75%	0.748	S	S	*	*			trans	-66.8	119.9	175.1	-67.6	0	0	0	0	110.7
103	P	31.4	Very low	34.9	Very low	119 Å²	119	112.5 Å²	112.5	77%	0.773	74%	0.742	S	S	*	*			trans	-94.4	123.8	168	8.3	12.8	0	0	0	110.2	G101	G101-P103 WeakPolarHBondContact O-CD 3.37Å
104	A	31.3	Very low	36.9	Very low	92 Å²	92	116.9 Å²	116.9	76%	0.76	74%	0.742	S	S	*	*			trans	28	92.1	148.1	0	0	0	0	0	117.8	H106	A104-H106 PolarHBondContact O-N 3.38Å
105	G	31.5	Very low	38.6	Very low	78 Å²	78	111.1 Å²	111.1	80%	0.804	71%	0.714	S	S	*	*			trans	-66.9	117.1	157.4	0	0	0	0	0	110.1	S107	G105-S107 PolarHBondContact O-N 2.84Å
106	H	32.9	Very low	40.8	Very low	191 Å²	191	107 Å²	107	88%	0.884	69%	0.693	S	S	*	*			trans	-57.1	112	168.2	-73.2	-80.6	0	0	0	110.1	A104	A104-H106 PolarHBondContact O-N 3.38Å
107	S	33.2	Very low	42.9	Very low	109 Å²	109	105.7 Å²	105.7	76%	0.762	68%	0.678	S	S	*	*			trans	-80	125.3	165	54.7	0	0	0	0	109	G105 C109	G105-S107 PolarHBondContact O-N 2.84Å; S107-C109 PolarHBondContact O-N 2.91Å
108	P	38.1	Very low	44.9	Very low	110 Å²	110	105 Å²	105	71%	0.714	66%	0.655	S	S	*	*			trans	-63.7	127.4	174.8	-16.6	29.2	0	0	0	109.4	T110	P108-T110 PolarHBondContact O-N 3.47Å
109	C	41	Very low	46.9	Very low	117 Å²	117	105.2 Å²	105.2	79%	0.791	64%	0.642	S	S	*	*			trans	-58.6	103.8	176.1	-166.5	0	0	0	0	109.5	S107	S107-C109 PolarHBondContact O-N 2.91Å
110	T	40.5	Very low	48.9	Very low	117 Å²	117	105.8 Å²	105.8	72%	0.718	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-85.6	136.9	-179.8	39.1	0	0	0	0	110.6	P108	P108-T110 PolarHBondContact O-N 3.47Å
111	I	55.9	Low	50.9	Low	86 Å²	86	102.8 Å²	102.8	44%	0.441	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-53.8	137.7	173.6	-62.5	169.8	0	0	0	109.6	F66 T115 K116	F66-I111 HydrophobicContact CE2-CD1 4.23Å; F66-I111 HydrophobicContact CE2-CG1 4.44Å; I111-T115 HydrophobicContact CG2-CG2 4.14Å; I111-K116 HydrophobicContact CB-CG 4.41Å; I111-K116 HydrophobicContact CG2-CG 3.95Å; I111-K116 VanDerWaalsContact O-CE 3.26Å; I111-K116 WeakPolarHBondContact O-CE 3.25Å; I111-K116 PolarHBondContact O-NZ 3.1Å
112	S	67.4	Low	52.9	Low	54 Å²	54	102.7 Å²	102.7	38%	0.378	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-58.9	141.8	177.6	95.2	0	0	0	0	111.2	R114 T115 K116	S112-R114 PolarHBondContact O-N 3.07Å; S112-T115 PolarHBondContact O-N 3.47Å; S112-T115 PolarHBondContact OG-N 2.94Å; S112-T115 VanDerWaalsContact OG-N 3.17Å; S112-T115 PolarHBondContact OG-OG1 2.89Å; S112-K116 PolarHBondContact O-N 3.01Å; S112-K116 VanDerWaalsContact O-N 3.09Å
113	D	66.1	Low	54.8	Low	115 Å²	115	100.9 Å²	100.9	62%	0.615	57%	0.574	S	S	*	*	H	α-helix	trans	-62.9	-26.6	179.9	-66.7	-34.1	0	0	0	112	K116 E117	D113-K116 PolarHBondContact O-N 3.15Å; D113-K116 IonicContact OD1-NZ 2.86Å; D113-K116 PolarHBondContact OD1-NZ 3.23Å; D113-E117 WeakPolarHBondContact O-CG 3.43Å; D113-E117 PolarHBondContact O-N 3.18Å
114	R	66.8	Low	56.1	Low	197 Å²	197	102.8 Å²	102.8	74%	0.743	57%	0.566	S	S	*	*	H	α-helix	trans	-64.3	-42.2	173.5	-167.2	179	-173.2	-175.2	1.7	112.1	S112 E117 K118	S112-R114 PolarHBondContact O-N 3.07Å; R114-E117 PolarHBondContact O-N 3Å; R114-K118 PolarHBondContact O-N 3.38Å
115	T	63.3	Low	57.7	Low	21 Å²	21	100.1 Å²	100.1	13%	0.129	54%	0.542	C	S	.	.	H	α-helix	trans	-69.3	-39.2	178	-44.2	0	0	0	0	110.5	F66 E69 I111 S112 E117 K118 L119	F66-T115 HydrophobicContact CD2-CG2 4.45Å; E69-T115 PolarHBondContact OE1-OG1 2.98Å; E69-T115 PolarHBondContact OE2-OG1 3.3Å; I111-T115 HydrophobicContact CG2-CG2 4.14Å; S112-T115 PolarHBondContact O-N 3.47Å; S112-T115 PolarHBondContact OG-N 2.94Å; S112-T115 VanDerWaalsContact OG-N 3.17Å; S112-T115 PolarHBondContact OG-OG1 2.89Å; T115-E117 PolarHBondContact O-N 3.4Å; T115-K118 PolarHBondContact O-N 3.18Å; T115-L119 WeakPolarHBondContact O-CB 3.26Å; T115-L119 PolarHBondContact O-N 3.38Å
116	K	68.3	Low	58.9	Low	81 Å²	81	102.2 Å²	102.2	35%	0.352	53%	0.529	S	S	.	.	H	α-helix	trans	-60.6	-44.2	172.8	-67.6	178.6	-164.2	149.6	0	112	I111 S112 D113 L119 K120	I111-K116 HydrophobicContact CB-CG 4.41Å; I111-K116 HydrophobicContact CG2-CG 3.95Å; I111-K116 VanDerWaalsContact O-CE 3.26Å; I111-K116 WeakPolarHBondContact O-CE 3.25Å; I111-K116 PolarHBondContact O-NZ 3.1Å; S112-K116 PolarHBondContact O-N 3.01Å; S112-K116 VanDerWaalsContact O-N 3.09Å; D113-K116 PolarHBondContact O-N 3.15Å; D113-K116 IonicContact OD1-NZ 2.86Å; D113-K116 PolarHBondContact OD1-NZ 3.23Å; K116-L119 PolarHBondContact O-N 3.44Å; K116-K120 WeakPolarHBondContact O-CG 3.43Å; K116-K120 PolarHBondContact O-N 3.28Å
117	E	68.9	Low	59.8	Low	104 Å²	104	101.4 Å²	101.4	49%	0.486	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-38.8	179.2	-72.9	-53.6	129.7	0	0	112.4	D113 R114 T115 L119 K120 A121	D113-E117 WeakPolarHBondContact O-CG 3.43Å; D113-E117 PolarHBondContact O-N 3.18Å; R114-E117 PolarHBondContact O-N 3Å; T115-E117 PolarHBondContact O-N 3.4Å; E117-L119 VanDerWaalsContact C-N 3.34Å; E117-L119 PolarHBondContact O-N 2.7Å; E117-K120 PolarHBondContact O-N 3.01Å; E117-K120 WeakPolarHBondContact OE1-CD 3.38Å; E117-K120 IonicContact OE1-NZ 3.86Å; E117-K120 PolarHBondContact OE1-NZ 3.44Å; E117-A121 VanDerWaalsContact O-CB 3.29Å; E117-A121 WeakPolarHBondContact O-CB 3.5Å; E117-A121 PolarHBondContact O-N 3.31Å
118	K	70.6	Confident	60.6	Low	88 Å²	88	104.4 Å²	104.4	38%	0.383	51%	0.513	S	S	.	.	H	α-helix	trans	-58.5	-45.5	170.3	-78.9	-176.9	170.8	-173.2	0	111.8	E65 R114 T115 A121 F122	E65-K118 VanDerWaalsContact CD-NZ 3.28Å; E65-K118 IonicContact OE1-NZ 2.69Å; E65-K118 PolarHBondContact OE1-NZ 3.01Å; E65-K118 IonicContact OE2-NZ 2.8Å; E65-K118 PolarHBondContact OE2-NZ 3.29Å; E65-K118 VanDerWaalsContact OE2-NZ 3.09Å; R114-K118 PolarHBondContact O-N 3.38Å; T115-K118 PolarHBondContact O-N 3.18Å; K118-A121 PolarHBondContact O-N 3.1Å; K118-F122 WeakPolarHBondContact O-CB 3.4Å; K118-F122 PolarHBondContact O-N 2.89Å
119	L	66.1	Low	61.2	Low	105 Å²	105	106.6 Å²	106.6	55%	0.55	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-42.3	-179.9	-154.4	81.7	0	0	0	111.7	T115 K116 E117 F122 I123	T115-L119 WeakPolarHBondContact O-CB 3.26Å; T115-L119 PolarHBondContact O-N 3.38Å; K116-L119 PolarHBondContact O-N 3.44Å; E117-L119 VanDerWaalsContact C-N 3.34Å; E117-L119 PolarHBondContact O-N 2.7Å; L119-F122 PolarHBondContact O-N 3.2Å; L119-I123 HydrophobicContact CG-CD1 4.45Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.29Å
120	K	70.4	Confident	61.5	Low	119 Å²	119	106.7 Å²	106.7	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-45.6	173	-76.3	179.8	-170.6	167.4	0	111.6	K116 E117 F122 I123 Y124	K116-K120 WeakPolarHBondContact O-CG 3.43Å; K116-K120 PolarHBondContact O-N 3.28Å; E117-K120 PolarHBondContact O-N 3.01Å; E117-K120 WeakPolarHBondContact OE1-CD 3.38Å; E117-K120 IonicContact OE1-NZ 3.86Å; E117-K120 PolarHBondContact OE1-NZ 3.44Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 PolarHBondContact O-N 3.3Å; K120-I123 PolarHBondContact O-N 2.98Å; K120-Y124 VanDerWaalsContact O-CB 3.24Å; K120-Y124 WeakPolarHBondContact O-CB 3.46Å; K120-Y124 PolarHBondContact O-N 3.25Å
121	A	68.5	Low	61.6	Low	59 Å²	59	107 Å²	107	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-40.5	177.9	0	0	0	0	0	111.6	E117 K118 Y124 S125	E117-A121 VanDerWaalsContact O-CB 3.29Å; E117-A121 WeakPolarHBondContact O-CB 3.5Å; E117-A121 PolarHBondContact O-N 3.31Å; K118-A121 PolarHBondContact O-N 3.1Å; A121-Y124 PolarHBondContact O-N 3.39Å; A121-S125 VanDerWaalsContact O-CB 3.28Å; A121-S125 WeakPolarHBondContact O-CB 3.45Å; A121-S125 PolarHBondContact O-N 3.33Å; A121-S125 PolarHBondContact O-OG 2.85Å
122	F	70.9	Confident	60.8	Low	66 Å²	66	105.2 Å²	105.2	29%	0.289	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-51.8	173.8	179.1	-99.7	0	0	0	111.7	L62 K118 L119 K120 Y124 S125 K126	L62-F122 HydrophobicContact CD1-CD2 3.98Å; L62-F122 HydrophobicContact CD1-CE2 4.16Å; L62-F122 HydrophobicContact CD1-CG 4.31Å; K118-F122 WeakPolarHBondContact O-CB 3.4Å; K118-F122 PolarHBondContact O-N 2.89Å; L119-F122 PolarHBondContact O-N 3.2Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 PolarHBondContact O-N 3.3Å; F122-Y124 VanDerWaalsContact C-N 3.32Å; F122-Y124 PolarHBondContact O-N 2.95Å; F122-S125 PolarHBondContact O-N 3.47Å; F122-S125 PolarHBondContact O-OG 3.18Å; F122-K126 PolarHBondContact O-N 3.46Å
123	I	66.7	Low	59.6	Low	91 Å²	91	105.9 Å²	105.9	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-60.1	-42.4	177.6	-67.1	166.5	0	0	0	111.2	L119 K120 K126 R127	L119-I123 HydrophobicContact CG-CD1 4.45Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.29Å; K120-I123 PolarHBondContact O-N 2.98Å; I123-K126 WeakPolarHBondContact O-CB 3.43Å; I123-K126 PolarHBondContact O-N 3.48Å; I123-R127 PolarHBondContact O-N 3.2Å
124	Y	59.7	Low	58	Low	158 Å²	158	102.5 Å²	102.5	62%	0.62	48%	0.484	S	S	*	.	H	α-helix	trans	-67.2	-41.4	178.7	-171.4	-95.1	0	0	0	111.7	K120 A121 F122 K126 R127 R128	K120-Y124 VanDerWaalsContact O-CB 3.24Å; K120-Y124 WeakPolarHBondContact O-CB 3.46Å; K120-Y124 PolarHBondContact O-N 3.25Å; A121-Y124 PolarHBondContact O-N 3.39Å; F122-Y124 VanDerWaalsContact C-N 3.32Å; F122-Y124 PolarHBondContact O-N 2.95Å; Y124-K126 VanDerWaalsContact C-N 3.31Å; Y124-K126 PolarHBondContact O-N 2.87Å; Y124-R127 PolarHBondContact O-N 2.69Å; Y124-R128 WeakPolarHBondContact O-CB 3.33Å; Y124-R128 PolarHBondContact O-N 2.88Å
125	S	64.5	Low	56.4	Low	37 Å²	37	99.3 Å²	99.3	26%	0.259	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-38.9	174.7	79.1	0	0	0	0	111.8	A121 F122 R128 R129	A121-S125 VanDerWaalsContact O-CB 3.28Å; A121-S125 WeakPolarHBondContact O-CB 3.45Å; A121-S125 PolarHBondContact O-N 3.33Å; A121-S125 PolarHBondContact O-OG 2.85Å; F122-S125 PolarHBondContact O-N 3.47Å; F122-S125 PolarHBondContact O-OG 3.18Å; S125-R128 PolarHBondContact O-N 3.03Å; S125-R129 WeakPolarHBondContact O-CB 3.45Å; S125-R129 WeakPolarHBondContact O-CG 3.45Å; S125-R129 PolarHBondContact O-N 2.6Å
126	K	56.2	Low	54.9	Low	121 Å²	121	106.1 Å²	106.1	53%	0.526	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-47.7	174.7	-170.3	-179.3	-179.2	-179.2	0	111.2	F122 I123 Y124 R129 Q130	F122-K126 PolarHBondContact O-N 3.46Å; I123-K126 WeakPolarHBondContact O-CB 3.43Å; I123-K126 PolarHBondContact O-N 3.48Å; Y124-K126 VanDerWaalsContact C-N 3.31Å; Y124-K126 PolarHBondContact O-N 2.87Å; K126-R129 PolarHBondContact O-N 2.66Å; K126-Q130 WeakPolarHBondContact O-CB 3.2Å; K126-Q130 WeakPolarHBondContact O-CG 3.34Å; K126-Q130 PolarHBondContact O-N 2.74Å
127	R	51.9	Low	53.2	Low	174 Å²	174	108.3 Å²	108.3	66%	0.657	53%	0.526	S	S	*	.	H	α-helix	trans	-62.5	-42.1	174.7	-98.2	-177.6	175.7	171.7	0.5	112.1	I123 Y124 Q130 L131	I123-R127 PolarHBondContact O-N 3.2Å; Y124-R127 PolarHBondContact O-N 2.69Å; R127-Q130 PolarHBondContact O-N 3.33Å; R127-L131 WeakPolarHBondContact O-CB 3.32Å; R127-L131 WeakPolarHBondContact O-CD1 3.43Å; R127-L131 VanDerWaalsContact O-CG 3.24Å; R127-L131 WeakPolarHBondContact O-CG 3.36Å; R127-L131 PolarHBondContact O-N 3.12Å
128	R	50	Low	51.4	Low	173 Å²	173	107.5 Å²	107.5	65%	0.653	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-41.4	179.3	-168.2	178	-175	-178.9	1.7	111.5	Y124 S125 L131 S132	Y124-R128 WeakPolarHBondContact O-CB 3.33Å; Y124-R128 PolarHBondContact O-N 2.88Å; S125-R128 PolarHBondContact O-N 3.03Å; R128-L131 PolarHBondContact O-N 2.9Å; R128-S132 VanDerWaalsContact O-CB 3.27Å; R128-S132 WeakPolarHBondContact O-CB 3.5Å; R128-S132 PolarHBondContact O-N 3.12Å; R128-S132 PolarHBondContact O-OG 3.18Å
129	R	50.9	Low	49.4	Very low	156 Å²	156	111 Å²	111	59%	0.589	55%	0.549	S	S	*	.	H	α-helix	trans	-69	-36.9	176.1	-72.7	179.5	-171.5	155.7	3.6	112.9	S125 K126 L131 S132 S133	S125-R129 WeakPolarHBondContact O-CB 3.45Å; S125-R129 WeakPolarHBondContact O-CG 3.45Å; S125-R129 PolarHBondContact O-N 2.6Å; K126-R129 PolarHBondContact O-N 2.66Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 2.88Å; R129-S132 WeakPolarHBondContact CA-OG 3.44Å; R129-S132 PolarHBondContact O-OG 3.14Å; R129-S133 WeakPolarHBondContact O-CB 3.38Å; R129-S133 PolarHBondContact O-N 2.93Å; R129-S133 PolarHBondContact O-OG 2.84Å; R129-S133 VanDerWaalsContact O-OG 3.09Å
130	Q	48.7	Very low	47.7	Very low	118 Å²	118	113.3 Å²	113.3	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-67.3	-29.8	173	-75.9	179.5	-27	0	0	113.1	K126 R127 S133	K126-Q130 WeakPolarHBondContact O-CB 3.2Å; K126-Q130 WeakPolarHBondContact O-CG 3.34Å; K126-Q130 PolarHBondContact O-N 2.74Å; R127-Q130 PolarHBondContact O-N 3.33Å; Q130-S133 PolarHBondContact O-OG 2.83Å
131	L	43	Very low	45.7	Very low	125 Å²	125	118.7 Å²	118.7	65%	0.654	58%	0.575	S	S	*	*	H	α-helix	trans	-85.7	-36.9	176	-69	167.3	0	0	0	112.1	R127 R128 R129 S133 G134	R127-L131 WeakPolarHBondContact O-CB 3.32Å; R127-L131 WeakPolarHBondContact O-CD1 3.43Å; R127-L131 VanDerWaalsContact O-CG 3.24Å; R127-L131 WeakPolarHBondContact O-CG 3.36Å; R127-L131 PolarHBondContact O-N 3.12Å; R128-L131 PolarHBondContact O-N 2.9Å; R129-L131 VanDerWaalsContact C-N 3.3Å; R129-L131 PolarHBondContact O-N 2.88Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-G134 PolarHBondContact O-N 3.38Å; L131-G134 VanDerWaalsContact O-N 3.1Å
132	S	39.1	Very low	43.8	Very low	48 Å²	48	119.3 Å²	119.3	34%	0.336	58%	0.576	S	S	.	*	H	α-helix	trans	-73.5	-24.4	178.7	71.2	0	0	0	0	112.9	R128 R129 G134 D135 E136	R128-S132 VanDerWaalsContact O-CB 3.27Å; R128-S132 WeakPolarHBondContact O-CB 3.5Å; R128-S132 PolarHBondContact O-N 3.12Å; R128-S132 PolarHBondContact O-OG 3.18Å; R129-S132 WeakPolarHBondContact CA-OG 3.44Å; R129-S132 PolarHBondContact O-OG 3.14Å; S132-G134 PolarHBondContact O-N 3.49Å; S132-D135 PolarHBondContact O-N 3.33Å; S132-E136 PolarHBondContact O-N 2.86Å
133	S	41.2	Very low	41.9	Very low	68 Å²	68	121.4 Å²	121.4	48%	0.476	60%	0.596	S	S	.	*	H	α-helix	trans	-64.2	-11.6	167.9	54.7	0	0	0	0	113.4	R129 Q130 L131	R129-S133 WeakPolarHBondContact O-CB 3.38Å; R129-S133 PolarHBondContact O-N 2.93Å; R129-S133 PolarHBondContact O-OG 2.84Å; R129-S133 VanDerWaalsContact O-OG 3.09Å; Q130-S133 PolarHBondContact O-OG 2.83Å; L131-S133 VanDerWaalsContact C-N 3.34Å
134	G	33.5	Very low	40	Very low	43 Å²	43	126.2 Å²	126.2	44%	0.443	61%	0.61	S	S	.	*	H	α-helix	trans	-83.2	-33.6	171.5	0	0	0	0	0	114.2	L131 S132	L131-G134 PolarHBondContact O-N 3.38Å; L131-G134 VanDerWaalsContact O-N 3.1Å; S132-G134 PolarHBondContact O-N 3.49Å
135	D	32.7	Very low	38.5	Very low	131 Å²	131	124.6 Å²	124.6	70%	0.701	62%	0.619	S	S	*	*	H	α-helix	trans	-99.9	-34.7	-169.9	-74.6	-22.8	0	0	0	113.6	S132	S132-D135 PolarHBondContact O-N 3.33Å
136	E	32	Very low	36.8	Very low	164 Å²	164	132.9 Å²	132.9	77%	0.766	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-81.8	-15.4	-175.8	-75.2	-174.3	167.1	0	0	114.4	S132 C138	S132-E136 PolarHBondContact O-N 2.86Å; E136-C138 VanDerWaalsContact C-N 3.33Å
137	I	32.6	Very low	35.4	Very low	126 Å²	126	133.7 Å²	133.7	65%	0.646	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-85.5	-7.4	177.7	-58.5	178	0	0	0	111.8	H139	I137-H139 PolarHBondContact O-N 3.05Å
138	C	30.2	Very low	34.3	Very low	88 Å²	88	131.1 Å²	131.1	60%	0.595	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-81.6	-4.7	-178.9	-78.8	0	0	0	0	115.6	E136	E136-C138 VanDerWaalsContact C-N 3.33Å
139	H	29.7	Very low	33.2	Very low	161 Å²	161	127.5 Å²	127.5	75%	0.745	67%	0.67	S	S	*	*	S	Bend	trans	-107.1	-5	-175.2	-85.6	-56.8	0	0	0	117.7	I137	I137-H139 PolarHBondContact O-N 3.05Å
140	H	30	Very low	32.1	Very low	154 Å²	154	127.2 Å²	127.2	71%	0.713	68%	0.68	S	S	*	*	S	Bend	trans	-139.8	135.2	165.7	-75.6	-69.1	0	0	0	108.6
141	Y	28.4	Very low	31.3	Very low	231 Å²	231	131.4 Å²	131.4	91%	0.906	70%	0.697	S	S	*	*			trans	89.8	77.3	-176.8	-53.3	-76.6	0	0	0	116.1
142	S	27.9	Very low	30.6	Very low	73 Å²	73	134 Å²	134	51%	0.51	71%	0.705	S	S	.	*			trans	-130.6	105.8	148.8	-164.8	0	0	0	0	108.4	Y144	S142-Y144 PolarHBondContact O-N 3.12Å; S142-Y144 PolarHBondContact OG-O 3.17Å
143	P	32	Very low	29.9	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	73%	0.731	S	S	*	*			trans	-80.4	8.6	-178.6	30	-31.9	0	0	0	114
144	Y	25.5	Very low	29.2	Very low	191 Å²	191	145.9 Å²	145.9	75%	0.749	75%	0.752	S	S	*	*	S	Bend	trans	-136.7	137.8	175.3	-66.9	-77.2	0	0	0	111.7	S142 R146	S142-Y144 PolarHBondContact O-N 3.12Å; S142-Y144 PolarHBondContact OG-O 3.17Å; Y144-R146 PolarHBondContact O-N 3.46Å
145	P	29.4	Very low	28.9	Very low	125 Å²	125	155.3 Å²	155.3	81%	0.812	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.2	-177.8	-8.7	22.5	0	0	0	110.5	T147	P145-T147 PolarHBondContact O-N 3.16Å
146	R	27.5	Very low	28.6	Very low	211 Å²	211	158.1 Å²	158.1	80%	0.796	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-74.4	116.7	176.2	-68.2	-171.9	-176.9	-157.2	3	110.2	Y144	Y144-R146 PolarHBondContact O-N 3.46Å
147	T	27.7	Very low	28.3	Very low	138 Å²	138	157 Å²	157	85%	0.847	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-77	126.1	162.1	50.7	0	0	0	0	109.2	P145 S149	P145-T147 PolarHBondContact O-N 3.16Å; T147-S149 PolarHBondContact O-N 3.26Å
148	S	27.8	Very low	28	Very low	120 Å²	120	161.8 Å²	161.8	84%	0.839	79%	0.794	S	S	*	*			trans	-72.5	114.6	-178.2	53.9	0	0	0	0	112.2
149	S	28.1	Very low	27.9	Very low	96 Å²	96	162.8 Å²	162.8	67%	0.671	80%	0.802	S	S	*	*			trans	-163.9	112	147.3	58.3	0	0	0	0	110.7	T147	T147-S149 PolarHBondContact O-N 3.26Å
150	D	27	Very low	28.1	Very low	150 Å²	150	163.8 Å²	163.8	80%	0.802	81%	0.808	S	S	*	*			trans	43.1	98.3	147.4	-57.2	-23.4	0	0	0	119.7
151	F	31.9	Very low	28.7	Very low	207 Å²	207	162.9 Å²	162.9	91%	0.908	82%	0.815	S	S	*	*			trans	-120.6	119.9	152.1	-90.8	-86.7	0	0	0	110.7	Q153	F151-Q153 PolarHBondContact O-N 3.28Å
152	H	28	Very low	29.2	Very low	178 Å²	178	156.8 Å²	156.8	82%	0.824	80%	0.798	S	S	*	*			trans	-53	124.8	-177.2	-69.8	-80.9	0	0	0	113.4	L154	H152-L154 PolarHBondContact O-N 3.06Å
153	Q	25.3	Very low	29.8	Very low	188 Å²	188	158.8 Å²	158.8	88%	0.879	80%	0.803	S	S	*	*			trans	-66.3	113.3	167.9	-74.5	-179.3	0	0	0	110.2	F151 R155	F151-Q153 PolarHBondContact O-N 3.28Å; Q153-R155 PolarHBondContact O-N 3.36Å; Q153-R155 VanDerWaalsContact O-N 3.09Å
154	L	26.8	Very low	30.3	Very low	178 Å²	178	159.6 Å²	159.6	93%	0.932	80%	0.801	S	S	*	*			trans	-63.4	107.4	171.5	-73.2	162.8	0	0	0	109.6	H152 K156	H152-L154 PolarHBondContact O-N 3.06Å; L154-K156 PolarHBondContact O-N 2.78Å
155	R	25.7	Very low	31.6	Very low	242 Å²	242	154.3 Å²	154.3	91%	0.913	79%	0.792	S	S	*	*			trans	-65.7	128.3	175.2	-77.6	-175.8	-168.5	142.2	3.4	110.6	Q153 V157	Q153-R155 PolarHBondContact O-N 3.36Å; Q153-R155 VanDerWaalsContact O-N 3.09Å; R155-V157 PolarHBondContact O-N 3.41Å
156	K	26.3	Very low	32	Very low	189 Å²	189	154.3 Å²	154.3	82%	0.822	78%	0.781	S	S	*	*			trans	-70	107.1	171.5	-162.8	174.1	-173.8	176.9	0	109.5	L154 R158	L154-K156 PolarHBondContact O-N 2.78Å; K156-R158 PolarHBondContact O-N 2.99Å
157	V	26.3	Very low	32.7	Very low	140 Å²	140	147.4 Å²	147.4	85%	0.848	76%	0.76	S	S	*	*			trans	-67.9	116.7	171.5	178.1	0	0	0	0	108.1	R155	R155-V157 PolarHBondContact O-N 3.41Å
158	R	27.4	Very low	33.8	Very low	227 Å²	227	143.7 Å²	143.7	86%	0.857	74%	0.743	S	S	*	*			trans	-89.8	122.1	-179.2	-67.2	-179.4	178.3	-179.8	-1.4	109.1	K156	K156-R158 PolarHBondContact O-N 2.99Å
159	S	28	Very low	34.6	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	72%	0.721	S	S	*	*			trans	-126.8	93.7	163.7	56.4	0	0	0	0	108
160	E	33.5	Very low	35.1	Very low	183 Å²	183	140.5 Å²	140.5	86%	0.855	72%	0.717	S	S	*	*			trans	-176.4	119	149.5	-105	174.3	-153.7	0	0	109.3	D162	E160-D162 PolarHBondContact O-N 3.15Å
161	P	42	Very low	35.6	Very low	135 Å²	135	142.5 Å²	142.5	88%	0.877	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	5.7	-165.3	-12.6	29.6	0	0	0	118
162	D	39.5	Very low	36.2	Very low	103 Å²	103	137.3 Å²	137.3	55%	0.551	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	13.2	-166.4	-139.5	3.1	0	0	0	116	E160 S165 Q166	E160-D162 PolarHBondContact O-N 3.15Å; D162-S165 WeakPolarHBondContact OD1-CB 3.13Å; D162-Q166 WeakPolarHBondContact O-CG 3.3Å; D162-Q166 PolarHBondContact O-N 3.22Å
163	L	39.5	Very low	36.5	Very low	114 Å²	114	138.8 Å²	138.8	60%	0.597	70%	0.701	S	S	*	*	H	α-helix	trans	-75.8	-32.6	177.7	-161.2	72.7	0	0	0	112.7	Q166 L167	L163-Q166 PolarHBondContact O-N 2.76Å; L163-L167 HydrophobicContact CD2-CD1 4.11Å; L163-L167 HydrophobicContact CG-CD1 3.89Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 2.77Å
164	D	43.5	Very low	37	Very low	127 Å²	127	136.5 Å²	136.5	68%	0.679	69%	0.694	S	S	*	*	H	α-helix	trans	-70.1	-33.4	-178.9	-78.1	-29.8	0	0	0	112.2	A168	D164-A168 WeakPolarHBondContact O-CB 3.41Å; D164-A168 PolarHBondContact O-N 2.82Å
165	S	52.1	Low	37.3	Very low	81 Å²	81	133.2 Å²	133.2	57%	0.566	68%	0.684	S	S	*	*	H	α-helix	trans	-69	-40.7	174	-160.5	0	0	0	0	111.5	D162 A168 G169	D162-S165 WeakPolarHBondContact OD1-CB 3.13Å; S165-A168 PolarHBondContact O-N 2.85Å; S165-G169 PolarHBondContact O-N 3.25Å; S165-G169 VanDerWaalsContact O-N 3.15Å
166	Q	39	Very low	37.8	Very low	124 Å²	124	131.2 Å²	131.2	58%	0.579	69%	0.685	S	S	*	*	H	α-helix	trans	-69.4	-36.8	176.3	-70.2	-173.8	-1.6	0	0	113	D162 L163 G169 L170	D162-Q166 WeakPolarHBondContact O-CG 3.3Å; D162-Q166 PolarHBondContact O-N 3.22Å; L163-Q166 PolarHBondContact O-N 2.76Å; Q166-G169 PolarHBondContact O-N 2.9Å; Q166-L170 PolarHBondContact O-N 3.28Å; Q166-L170 VanDerWaalsContact O-N 3.17Å
167	L	42.3	Very low	38.1	Very low	67 Å²	67	126.3 Å²	126.3	35%	0.351	68%	0.679	S	S	.	*	H	α-helix	trans	-70.4	-34.2	174.9	-86.1	159	0	0	0	112.4	L163 L170 R171	L163-L167 HydrophobicContact CD2-CD1 4.11Å; L163-L167 HydrophobicContact CG-CD1 3.89Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 2.77Å; L167-L170 PolarHBondContact O-N 2.94Å; L167-R171 WeakPolarHBondContact O-CG 3.49Å; L167-R171 PolarHBondContact O-N 3.42Å; L167-R171 VanDerWaalsContact O-N 3.11Å
168	A	50.7	Low	38.4	Very low	60 Å²	60	126 Å²	126	50%	0.496	68%	0.678	S	S	.	*	H	α-helix	trans	-64.8	-39.9	173.1	0	0	0	0	0	111.8	D164 S165 L170 R171	D164-A168 WeakPolarHBondContact O-CB 3.41Å; D164-A168 PolarHBondContact O-N 2.82Å; S165-A168 PolarHBondContact O-N 2.85Å; A168-L170 VanDerWaalsContact C-N 3.34Å; A168-L170 PolarHBondContact O-N 3.47Å; A168-R171 PolarHBondContact O-N 2.93Å
169	G	44.9	Very low	38.5	Very low	36 Å²	36	123.5 Å²	123.5	37%	0.371	68%	0.68	S	S	.	*	H	α-helix	trans	-68.3	-27.6	175.7	0	0	0	0	0	114.6	S165 Q166 S172	S165-G169 PolarHBondContact O-N 3.25Å; S165-G169 VanDerWaalsContact O-N 3.15Å; Q166-G169 PolarHBondContact O-N 2.9Å; G169-S172 PolarHBondContact O-OG 3.08Å
170	L	37	Very low	38.5	Very low	113 Å²	113	123.4 Å²	123.4	59%	0.592	68%	0.679	S	S	*	*	H	α-helix	trans	-82.4	-28.4	176.8	-81.6	161.5	0	0	0	112.9	Q166 L167 A168 R173	Q166-L170 PolarHBondContact O-N 3.28Å; Q166-L170 VanDerWaalsContact O-N 3.17Å; L167-L170 PolarHBondContact O-N 2.94Å; A168-L170 VanDerWaalsContact C-N 3.34Å; A168-L170 PolarHBondContact O-N 3.47Å; L170-R173 PolarHBondContact O-N 3.46Å
171	R	38.1	Very low	38.2	Very low	192 Å²	192	119.6 Å²	119.6	73%	0.725	67%	0.673	S	S	*	*	H	α-helix	trans	-71.8	-26.7	176.5	-76.8	177.4	178.1	147.7	0.2	113.6	L167 A168 R173	L167-R171 WeakPolarHBondContact O-CG 3.49Å; L167-R171 PolarHBondContact O-N 3.42Å; L167-R171 VanDerWaalsContact O-N 3.11Å; A168-R171 PolarHBondContact O-N 2.93Å; R171-R173 VanDerWaalsContact C-N 3.28Å; R171-R173 PolarHBondContact O-N 2.84Å
172	S	43.6	Very low	37.4	Very low	98 Å²	98	121.2 Å²	121.2	69%	0.685	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-2.3	176.5	62	0	0	0	0	114.4	G169	G169-S172 PolarHBondContact O-OG 3.08Å
173	R	35.7	Very low	36.6	Very low	209 Å²	209	122.9 Å²	122.9	79%	0.789	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	6.1	-175.2	-69.8	-172.6	177.2	-171.8	0.8	114.9	L170 R171	L170-R173 PolarHBondContact O-N 3.46Å; R171-R173 VanDerWaalsContact C-N 3.28Å; R171-R173 PolarHBondContact O-N 2.84Å
174	L	34.5	Very low	35.9	Very low	139 Å²	139	122.2 Å²	122.2	73%	0.728	69%	0.693	S	S	*	*	S	Bend	trans	-96.9	118.1	177.3	-75	165.2	0	0	0	110.1
175	P	33	Very low	35.1	Very low	110 Å²	110	122 Å²	122	71%	0.714	70%	0.696	S	S	*	*			trans	-61.8	137.2	177.3	-20	31.5	0	0	0	111.8	A177	P175-A177 PolarHBondContact O-N 2.88Å
176	E	37.3	Very low	33.7	Very low	200 Å²	200	123.2 Å²	123.2	94%	0.935	71%	0.705	S	S	*	*	S	Bend	trans	-67	18.2	-168.1	-125.3	170.1	-171.6	0	0	116.5
177	A	33.1	Very low	33	Very low	85 Å²	85	129.4 Å²	129.4	70%	0.702	72%	0.723	S	S	*	*			trans	-104.8	10.9	-168.1	0	0	0	0	0	115.9	P175	P175-A177 PolarHBondContact O-N 2.88Å
178	V	31.1	Very low	32.1	Very low	135 Å²	135	131.6 Å²	131.6	82%	0.818	74%	0.744	S	S	*	*	S	Bend	trans	-125.3	23.7	179.8	-162.9	0	0	0	0	112.8
179	L	29.3	Very low	30.8	Very low	174 Å²	174	137 Å²	137	91%	0.911	76%	0.763	S	S	*	*			trans	-116.9	63.4	168.3	-67.6	177.2	0	0	0	110.1
180	S	29.6	Very low	29.8	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	78%	0.782	S	S	*	*			trans	-131.2	107.9	161.9	39.9	0	0	0	0	109.4
181	S	25.7	Very low	29.2	Very low	103 Å²	103	139.4 Å²	139.4	72%	0.72	79%	0.789	S	S	*	*			trans	-48.2	138.2	164.3	49.2	0	0	0	0	112.7
182	D	26.7	Very low	28.6	Very low	170 Å²	170	136.1 Å²	136.1	91%	0.909	79%	0.793	S	S	*	*			trans	-139	111.9	137.9	-92.4	-34.2	0	0	0	110
183	V	23	Very low	27.6	Very low	137 Å²	137	136.4 Å²	136.4	83%	0.83	79%	0.794	S	S	*	*			trans	-93.6	121.2	170	167	0	0	0	0	106.4
184	S	25	Very low	27	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	80%	0.795	S	S	*	*			trans	-157.7	120.9	147.6	59.3	0	0	0	0	114.2
185	T	25	Very low	26.6	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	80%	0.804	S	S	*	*			trans	66.5	101.7	137.2	55.6	0	0	0	0	121.3
186	S	22.6	Very low	26.2	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	81%	0.81	S	S	*	*				28.3	120.6	122.4	68.5	0	0	0	0	119.2
187	R	24.8	Very low	25.5	Very low	254 Å²	254	139.6 Å²	139.6	96%	0.958	81%	0.808	S	S	*	*			trans	-149.7	140.3	137.8	-109.3	173.2	-164.8	-168.7	4.3	112
188	S	24	Very low	25.2	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	81%	0.81	S	S	*	*			trans	-53.6	147.5	-171.7	-178.7	0	0	0	0	116
189	L	22.7	Very low	24.7	Very low	172 Å²	172	139.5 Å²	139.5	90%	0.901	81%	0.806	S	S	*	*			trans	-43.6	128.2	158	-70.3	146.1	0	0	0	112.3
190	A	25	Very low	24.5	Very low	94 Å²	94	139.4 Å²	139.4	78%	0.777	81%	0.805	S	S	*	*			trans	-148.9	118.7	152.4	0	0	0	0	0	108.4
191	S	23.6	Very low	24.2	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	81%	0.812	S	S	*	*			trans	-69.1	138.7	172.8	177.2	0	0	0	0	110.9
192	P	26.5	Very low	24.1	Very low	123 Å²	123	141.5 Å²	141.5	80%	0.799	81%	0.811	S	S	*	*			trans	-120.1	107.9	150.4	26.7	-9.7	0	0	0	109.9
193	C	21.6	Very low	24	Very low	104 Å²	104	141 Å²	141	70%	0.703	81%	0.808	S	S	*	*			trans	-67.1	153.5	156.6	-71	0	0	0	0	110.5
194	C	23.3	Very low	24	Very low	120 Å²	120	141.5 Å²	141.5	81%	0.811	81%	0.806	S	S	*	*			trans	73.9	96.1	161.4	-54.9	0	0	0	0	116.8
195	R	25.3	Very low	24	Very low	245 Å²	245	142.3 Å²	142.3	93%	0.925	81%	0.812	S	S	*	*			trans	-130.6	134.1	147.5	-83.8	-170.1	173.7	174.6	-1.3	110.2
196	D	24.7	Very low	24	Very low	158 Å²	158	140.4 Å²	140.4	85%	0.845	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65.1	142.8	-167.7	-56.2	-68.3	0	0	0	114.3
197	F	23.5	Very low	24	Very low	203 Å²	203	139.9 Å²	139.9	89%	0.89	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-86.6	129.7	167.6	-94.8	-90.5	0	0	0	110
198	P	26.1	Very low	24	Very low	112 Å²	112	135.8 Å²	135.8	73%	0.727	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.8	126.8	-178.1	32.7	-31.7	0	0	0	111.4
199	S	20.8	Very low	23.9	Very low	106 Å²	106	136 Å²	136	74%	0.741	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.1	118.1	163.3	51.3	0	0	0	0	110.7
200	L	25.5	Very low	23.9	Very low	172 Å²	172	137.1 Å²	137.1	90%	0.901	80%	0.804	S	S	*	*			trans	-119.1	86.8	160.4	-76.4	175.8	0	0	0	109.2
201	L	22.5	Very low	24	Very low	169 Å²	169	138.6 Å²	138.6	89%	0.885	81%	0.805	S	S	*	*			trans	-80.8	120.3	155	-80	160.4	0	0	0	107.8
202	A	23.2	Very low	24	Very low	84 Å²	84	138 Å²	138	69%	0.694	81%	0.806	S	S	*	*			trans	161.9	110.7	141.4	0	0	0	0	0	109.8
203	N	25	Very low	24	Very low	159 Å²	159	138 Å²	138	85%	0.85	81%	0.806	S	S	*	*				-171.6	99.6	126.8	-93.2	-16.5	0	0	0	111.1
204	N	23.5	Very low	24.1	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	81%	0.813	S	S	*	*			trans	19.7	125.3	134.1	-80.6	-11.9	0	0	0	121.2
205	S	24.4	Very low	24.2	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	82%	0.816	S	S	*	*				67.8	114.1	127.7	65.3	0	0	0	0	120.2
206	G	25.6	Very low	24.2	Very low	82 Å²	82	134.5 Å²	134.5	85%	0.845	81%	0.806	S	S	*	*			trans	-177.5	62.9	162.5	0	0	0	0	0	110.7
207	S	23.2	Very low	24.1	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	81%	0.81	S	S	*	*			trans	-80.4	117.6	179.4	-175.9	0	0	0	0	110.5
208	L	24.4	Very low	24.1	Very low	168 Å²	168	131.6 Å²	131.6	88%	0.88	81%	0.808	S	S	*	*			trans	-129.5	105.4	157.5	-78.1	171.9	0	0	0	107
209	T	22.3	Very low	24	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.724	81%	0.805	S	S	*	*			trans	-99.7	127.3	-179.2	37.3	0	0	0	0	109
210	F	22.9	Very low	24.3	Very low	196 Å²	196	133.9 Å²	133.9	86%	0.86	81%	0.811	S	S	*	*			trans	-130.2	140.8	159.5	-85.9	-78.4	0	0	0	109
211	P	25.5	Very low	24.1	Very low	124 Å²	124	136.6 Å²	136.6	81%	0.805	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-90.1	133.3	-159.5	34.3	-31.4	0	0	0	112.2
212	A	24.9	Very low	24.2	Very low	93 Å²	93	138 Å²	138	77%	0.769	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-93.3	145.5	167.9	0	0	0	0	0	110.4
213	P	25.9	Very low	24.2	Very low	123 Å²	123	139.9 Å²	139.9	80%	0.799	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.8	138.8	-162.3	31.3	-34.2	0	0	0	113.4
214	S	24	Very low	23.9	Very low	120 Å²	120	143.2 Å²	143.2	84%	0.839	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.8	120.4	171.2	49.1	0	0	0	0	111.5
215	L	25.3	Very low	23.9	Very low	166 Å²	166	141.6 Å²	141.6	87%	0.869	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-97.8	142.6	163	-89.1	159.3	0	0	0	110
216	P	25.5	Very low	24	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-85.9	137.6	-158.1	32.9	-33.6	0	0	0	113.4	L218	P216-L218 PolarHBondContact O-N 3.36Å
217	C	23	Very low	23.8	Very low	137 Å²	137	145 Å²	145	93%	0.926	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69	122.7	164.1	-86.8	0	0	0	0	109.9
218	L	23.1	Very low	23.9	Very low	162 Å²	162	147.1 Å²	147.1	85%	0.848	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-84.2	146.6	164.9	-79.9	164.9	0	0	0	110.2	P216	P216-L218 PolarHBondContact O-N 3.36Å
219	P	24.6	Very low	23.9	Very low	104 Å²	104	145.6 Å²	145.6	68%	0.675	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90.5	134.7	-161.8	20.2	-5.1	0	0	0	112.7	Y221	P219-Y221 PolarHBondContact O-N 3.06Å
220	L	25.9	Very low	23.9	Very low	163 Å²	163	147 Å²	147	85%	0.853	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-69.9	116.5	170.1	-76.8	161.7	0	0	0	110	F222	L220-F222 PolarHBondContact O-N 3.17Å
221	Y	22.2	Very low	23.9	Very low	228 Å²	228	149 Å²	149	89%	0.894	81%	0.814	S	S	*	*			trans	-64.1	108.4	170.7	-94.4	-99.4	0	0	0	110.1	P219 S223	P219-Y221 PolarHBondContact O-N 3.06Å; Y221-S223 PolarHBondContact O-N 3.33Å
222	F	24.2	Very low	23.8	Very low	200 Å²	200	148 Å²	148	88%	0.877	81%	0.81	S	S	*	*			trans	-77.1	112.4	162.8	-96.5	-87.5	0	0	0	109.1	L220	L220-F222 PolarHBondContact O-N 3.17Å
223	S	23.7	Very low	24	Very low	123 Å²	123	151.3 Å²	151.3	86%	0.86	82%	0.815	S	S	*	*			trans	-75.1	131.3	168.7	-155.3	0	0	0	0	109.7	Y221	Y221-S223 PolarHBondContact O-N 3.33Å
224	R	18.6	Very low	23.9	Very low	228 Å²	228	150 Å²	150	86%	0.86	81%	0.814	S	S	*	*			trans	-84.3	164.8	-178	-91.1	177.8	166.9	173.6	-4.5	111.9
225	S	22.3	Very low	24.1	Very low	113 Å²	113	150.5 Å²	150.5	79%	0.79	81%	0.813	S	S	*	*			trans	91.1	129.4	171.6	89	0	0	0	0	113.2
226	T	26.3	Very low	24	Very low	131 Å²	131	146.7 Å²	146.7	80%	0.804	81%	0.813	S	S	*	*			cis	-148.1	157.7	31.5	35.7	0	0	0	0	112.4
227	D	22.4	Very low	24.1	Very low	141 Å²	141	147.4 Å²	147.4	75%	0.754	82%	0.815	S	S	*	*			trans	-54.3	143.6	174.2	-57.6	-66.5	0	0	0	114.6
228	N	24.9	Very low	24.2	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	80%	0.802	S	S	*	*				-179.5	121.6	114.5	-94.4	-41.8	0	0	0	113.7
229	L	24.7	Very low	24.4	Very low	136 Å²	136	143.3 Å²	143.3	71%	0.712	80%	0.797	S	S	*	*			trans	62.3	108.1	133.4	-62.6	166.9	0	0	0	121
230	N	22.2	Very low	24.4	Very low	147 Å²	147	148 Å²	148	79%	0.786	81%	0.807	S	S	*	*				51.5	99.6	127	-70.2	-13.2	0	0	0	118.8
231	R	23.7	Very low	24.4	Very low	238 Å²	238	145.3 Å²	145.3	90%	0.898	80%	0.801	S	S	*	*				-158.3	120.7	117.6	-139.1	169.7	176.6	-179.4	-2.9	111.6
232	S	23.2	Very low	24.5	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	79%	0.788	S	S	*	*			trans	-62.9	123.7	161.3	49.6	0	0	0	0	109.9
233	D	27.6	Very low	24.5	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	79%	0.788	S	S	*	*			trans	-157.8	126.2	133.1	-94.7	-29.3	0	0	0	109.5
234	A	24.1	Very low	24.7	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	79%	0.788	S	S	*	*			trans	-89.9	113	-175.9	0	0	0	0	0	109.7
235	T	28.7	Very low	25	Very low	131 Å²	131	141.2 Å²	141.2	80%	0.804	79%	0.79	S	S	*	*			trans	-145	105.3	149.8	50.8	0	0	0	0	108.1	V237	T235-V237 PolarHBondContact O-N 3.39Å
236	G	23.7	Very low	25.2	Very low	85 Å²	85	143.1 Å²	143.1	88%	0.876	79%	0.791	S	S	*	*			trans	-66.5	128.1	178	0	0	0	0	0	111.6
237	V	26.1	Very low	25.4	Very low	127 Å²	127	141.7 Å²	141.7	77%	0.77	79%	0.787	S	S	*	*			trans	-118.9	128.6	162.1	-178.7	0	0	0	0	106	T235	T235-V237 PolarHBondContact O-N 3.39Å
238	P	25.9	Very low	25.6	Very low	101 Å²	101	139.6 Å²	139.6	66%	0.656	78%	0.783	S	S	*	*			trans	-73.1	156.5	-165.8	30.6	-34.4	0	0	0	111.8	F240	P238-F240 PolarHBondContact O-N 2.78Å
239	P	27	Very low	26	Very low	112 Å²	112	140.5 Å²	140.5	73%	0.727	79%	0.787	S	S	*	*			trans	-70.3	125.8	-176.5	28.1	-31.5	0	0	0	110.7	S241	P239-S241 PolarHBondContact O-N 2.66Å
240	F	25.8	Very low	26.3	Very low	203 Å²	203	143.1 Å²	143.1	89%	0.89	79%	0.793	S	S	*	*			trans	-66.6	80.9	163.9	-90.9	-93.9	0	0	0	109.4	P238	P238-F240 PolarHBondContact O-N 2.78Å
241	S	24.8	Very low	26.6	Very low	105 Å²	105	144 Å²	144	73%	0.734	80%	0.797	S	S	*	*			trans	-111.3	77	168.1	63.8	0	0	0	0	109.4	P239	P239-S241 PolarHBondContact O-N 2.66Å
242	S	24	Very low	26.6	Very low	87 Å²	87	138.3 Å²	138.3	61%	0.608	79%	0.794	S	S	*	*			trans	-157.4	55.3	173.7	66.7	0	0	0	0	113.3
243	F	25.8	Very low	26.8	Very low	201 Å²	201	139.3 Å²	139.3	88%	0.882	80%	0.795	S	S	*	*			trans	-150.6	56.2	164.2	-90.9	-71.5	0	0	0	112.3
244	L	26.8	Very low	26.8	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	79%	0.792	S	S	*	*			trans	-146	72.6	159.6	-74.2	179.5	0	0	0	109.5
245	R	24.5	Very low	26.9	Very low	242 Å²	242	138.2 Å²	138.2	91%	0.913	79%	0.792	S	S	*	*			trans	-108	83.5	151.8	-84	-169.4	-168.9	-143.6	2.8	106.9	S247	R245-S247 PolarHBondContact O-N 3.45Å
246	N	27.8	Very low	26.9	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	80%	0.795	S	S	*	*			trans	-72.1	107.2	159.4	-88.5	-7.5	0	0	0	106.9	S248	N246-S248 PolarHBondContact O-N 3.33Å; N246-S248 VanDerWaalsContact O-N 3.08Å
247	S	29.4	Very low	27	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	79%	0.794	S	S	*	*			trans	-55.2	109	172.5	-48.7	0	0	0	0	109.3	R245 L249	R245-S247 PolarHBondContact O-N 3.45Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 2.98Å
248	S	28	Very low	27.2	Very low	97 Å²	97	141.6 Å²	141.6	68%	0.678	79%	0.793	S	S	*	*			trans	-59.3	93.9	162.8	49.3	0	0	0	0	109.1	N246 F250	N246-S248 PolarHBondContact O-N 3.33Å; N246-S248 VanDerWaalsContact O-N 3.08Å; S248-F250 PolarHBondContact O-N 3.47Å
249	L	32.5	Very low	27.2	Very low	161 Å²	161	141 Å²	141	84%	0.843	80%	0.797	S	S	*	*			trans	-80.3	99	167.9	-71.8	171	0	0	0	107.6	S247 L251	S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 2.98Å; L249-L251 PolarHBondContact O-N 3.37Å
250	F	30	Very low	27.1	Very low	191 Å²	191	141.8 Å²	141.8	84%	0.838	81%	0.805	S	S	*	*			trans	-59.7	123.6	170.8	-83.4	-92.3	0	0	0	109.9	S248 S252	S248-F250 PolarHBondContact O-N 3.47Å; F250-S252 PolarHBondContact O-N 3Å
251	L	29.3	Very low	27.3	Very low	166 Å²	166	137.4 Å²	137.4	87%	0.869	80%	0.8	S	S	*	*			trans	-68.1	118.8	169.9	-83	130.5	0	0	0	109.9	L249 T253	L249-L251 PolarHBondContact O-N 3.37Å; L251-T253 PolarHBondContact O-N 3.43Å
252	S	24.7	Very low	27.2	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	80%	0.801	S	S	*	*			trans	-71.3	109.2	162	-56.4	0	0	0	0	108.6	F250	F250-S252 PolarHBondContact O-N 3Å
253	T	27.2	Very low	27.5	Very low	124 Å²	124	139.1 Å²	139.1	76%	0.761	81%	0.811	S	S	*	*			trans	-64.1	131.2	170.1	44.8	0	0	0	0	110.4	L251 S255	L251-T253 PolarHBondContact O-N 3.43Å; T253-S255 PolarHBondContact O-N 2.89Å
254	P	25.9	Very low	27.3	Very low	121 Å²	121	133 Å²	133	79%	0.786	81%	0.805	S	S	*	*			trans	-74.1	126.1	174	28.6	-29.6	0	0	0	109.6	L256	P254-L256 PolarHBondContact O-N 3.26Å; P254-L256 VanDerWaalsContact O-N 3.08Å
255	S	26.8	Very low	27.2	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	81%	0.806	S	S	*	*			trans	-54.4	112.8	175.6	-57.7	0	0	0	0	110.6	T253 V257	T253-S255 PolarHBondContact O-N 2.89Å; S255-V257 PolarHBondContact O-N 3.49Å
256	L	28.4	Very low	26.9	Very low	163 Å²	163	127.5 Å²	127.5	85%	0.853	80%	0.803	S	S	*	*			trans	-61.2	115.6	165.2	-80.8	162.2	0	0	0	108.1	P254 S258	P254-L256 PolarHBondContact O-N 3.26Å; P254-L256 VanDerWaalsContact O-N 3.08Å; L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.47Å
257	V	26.6	Very low	26.9	Very low	142 Å²	142	125.4 Å²	125.4	86%	0.861	80%	0.798	S	S	*	*			trans	-68.3	90.2	167.2	-179.3	0	0	0	0	106.7	S255 A259	S255-V257 PolarHBondContact O-N 3.49Å; V257-A259 PolarHBondContact O-N 3.02Å
258	S	30	Very low	26.6	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	80%	0.801	S	S	*	*			trans	-66.1	121.3	169.4	-72.2	0	0	0	0	109	L256	L256-S258 VanDerWaalsContact C-N 3.27Å; L256-S258 PolarHBondContact O-N 3.47Å
259	A	26.2	Very low	26.3	Very low	90 Å²	90	126.3 Å²	126.3	74%	0.744	80%	0.799	S	S	*	*			trans	-53.3	135.8	177.9	0	0	0	0	0	111.9	V257 S261	V257-A259 PolarHBondContact O-N 3.02Å; A259-S261 PolarHBondContact O-N 3.2Å
260	S	24.8	Very low	26.1	Very low	128 Å²	128	126 Å²	126	90%	0.895	80%	0.798	S	S	*	*			trans	-53.1	99.6	175.3	-34.6	0	0	0	0	111.9
261	S	30.4	Very low	25.7	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	80%	0.8	S	S	*	*			trans	-95.5	102.5	155.6	55.9	0	0	0	0	108.4	A259	A259-S261 PolarHBondContact O-N 3.2Å
262	S	23.1	Very low	25.7	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	80%	0.801	S	S	*	*			trans	-42.4	129.2	160.2	50.4	0	0	0	0	112.5
263	S	29.4	Very low	25.7	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	80%	0.796	S	S	*	*				177.6	130.4	128	-76.5	0	0	0	0	108.5
264	G	22.6	Very low	26	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	80%	0.797	S	S	*	*			trans	-75.9	-160.5	-172.3	0	0	0	0	0	115.5
265	C	24	Very low	26.1	Very low	130 Å²	130	131.1 Å²	131.1	88%	0.878	80%	0.804	S	S	*	*			trans	92.9	82.8	178.3	-55.1	0	0	0	0	115.6
266	N	19.1	Very low	25.9	Very low	161 Å²	161	130 Å²	130	86%	0.861	80%	0.796	S	S	*	*				-54	139.6	129.8	-85.1	-26.3	0	0	0	108.4
267	P	27.3	Very low	25.6	Very low	108 Å²	108	127 Å²	127	70%	0.701	79%	0.788	S	S	*	*				-146.6	148	74.3	39.1	-20.7	0	0	0	116.2
268	T	22.5	Very low	25.8	Very low	124 Å²	124	130.6 Å²	130.6	76%	0.761	79%	0.793	S	S	*	*			trans	34.7	130.8	138.1	62.8	0	0	0	0	121.2
269	S	22.5	Very low	25.5	Very low	93 Å²	93	134 Å²	134	65%	0.65	80%	0.802	S	S	*	*			trans	68.7	105.6	137.2	-178	0	0	0	0	117.3
270	N	26.5	Very low	25.4	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	80%	0.801	S	S	*	*				-163.4	125.3	111.2	-93.1	-17.9	0	0	0	111.5
271	Y	22.6	Very low	25.6	Very low	223 Å²	223	133.5 Å²	133.5	88%	0.875	80%	0.8	S	S	*	*			trans	-50.4	134.2	156.3	-77.9	-101.8	0	0	0	110.2
272	L	28.9	Very low	25.2	Very low	169 Å²	169	132.2 Å²	132.2	89%	0.885	81%	0.805	S	S	*	*			trans	-151.8	136.5	141.2	-101.2	168.6	0	0	0	109.8
273	S	25.7	Very low	25.3	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	81%	0.806	S	S	*	*			trans	-78	171.4	-164	37.2	0	0	0	0	115
274	P	33.6	Very low	24.9	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	81%	0.805	S	S	*	*			trans	-92.2	144.9	-161.5	35.4	-30.5	0	0	0	112.9
275	F	27.1	Very low	25	Very low	214 Å²	214	137.7 Å²	137.7	94%	0.939	81%	0.813	S	S	*	*			trans	-103	107.9	159.9	-97.6	-86.3	0	0	0	109.6
276	S	22.5	Very low	24.8	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	81%	0.807	S	S	*	*			trans	-76.4	152.1	166.8	52.3	0	0	0	0	111.8
277	S	23.2	Very low	24.9	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	80%	0.799	S	S	*	*			trans	80.4	110	149	-41.6	0	0	0	0	117.9
278	F	29.5	Very low	24.6	Very low	218 Å²	218	136.2 Å²	136.2	96%	0.956	80%	0.8	S	S	*	*				-155	103.5	126.1	-105	-78.1	0	0	0	109.2
279	L	23.2	Very low	24.7	Very low	181 Å²	181	137.6 Å²	137.6	95%	0.948	80%	0.802	S	S	*	*			trans	-93.8	128.1	161.2	-109.6	140.7	0	0	0	106.4
280	G	24.4	Very low	24.6	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	81%	0.81	S	S	*	*			trans	-147.9	121.8	177.2	0	0	0	0	0	110
281	P	30.3	Very low	24.7	Very low	136 Å²	136	138.7 Å²	138.7	88%	0.883	81%	0.806	S	S	*	*			trans	-103.8	161.2	-167.4	38.2	-32.6	0	0	0	113.8
282	G	22.2	Very low	24.7	Very low	84 Å²	84	135 Å²	135	87%	0.866	80%	0.801	S	S	*	*			trans	122.2	135	144.5	0	0	0	0	0	117.8
283	G	24.4	Very low	24.4	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	79%	0.791	S	S	*	*			trans	115.5	73	158.8	0	0	0	0	0	114.6
284	M	20.1	Very low	24.2	Very low	166 Å²	166	131.6 Å²	131.6	82%	0.818	79%	0.792	S	S	*	*				9.9	120.9	99.1	-67.3	-157.1	84.4	0	0	118.3
285	L	26.4	Very low	23.6	Very low	172 Å²	172	136.4 Å²	136.4	90%	0.901	80%	0.796	S	S	*	*			trans	177.6	97.3	145.4	-93.7	165.1	0	0	0	105.5
286	M	19.2	Very low	23.5	Very low	153 Å²	153	134.2 Å²	134.2	75%	0.754	79%	0.793	S	S	*	*				46.3	130.8	81.2	-70.9	-62.3	170.1	0	0	117.6
287	S	21.8	Very low	23.4	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	80%	0.798	S	S	*	*			trans	90.6	100.5	156.2	-59.3	0	0	0	0	117.2
288	T	20.7	Very low	23.6	Very low	116 Å²	116	135.6 Å²	135.6	71%	0.712	80%	0.8	S	S	*	*				72.7	109	95.2	57.3	0	0	0	0	114.1
289	D	23.1	Very low	23.2	Very low	153 Å²	153	130.1 Å²	130.1	82%	0.818	79%	0.789	S	S	*	*				156	127.7	117.8	-80.4	-29	0	0	0	112.4
290	L	20.4	Very low	23.5	Very low	156 Å²	156	131 Å²	131	82%	0.817	79%	0.786	S	S	*	*			trans	-60.4	148.8	158.3	-148	79.3	0	0	0	108.2
291	P	30.4	Very low	23.4	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	79%	0.794	S	S	*	*				-151.4	153.3	84.8	37	-17.4	0	0	0	115.9
292	N	22	Very low	23.2	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	79%	0.786	S	S	*	*			trans	45	123.2	138.3	-80.4	-12	0	0	0	122.6
293	A	22.9	Very low	23.4	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	79%	0.787	S	S	*	*				95.2	131.7	119.2	0	0	0	0	0	119.8
294	T	21.8	Very low	23.5	Very low	120 Å²	120	136.4 Å²	136.4	74%	0.736	78%	0.778	S	S	*	*			trans	76.8	104.8	144.5	31.1	0	0	0	0	118.8
295	Y	20.6	Very low	23.8	Very low	220 Å²	220	137.5 Å²	137.5	86%	0.863	79%	0.786	S	S	*	*				34.4	104.1	125.5	-75.3	-86.8	0	0	0	116.4
296	L	25.4	Very low	23.9	Very low	168 Å²	168	136.4 Å²	136.4	88%	0.88	78%	0.78	S	S	*	*			trans	-153.5	114.7	135.4	-96.2	173.8	0	0	0	109.5
297	S	19.5	Very low	24.2	Very low	104 Å²	104	133 Å²	133	73%	0.727	78%	0.776	S	S	*	*			trans	-57.3	135.9	166.4	38.8	0	0	0	0	112.8
298	P	27.6	Very low	24.6	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	78%	0.779	S	S	*	*			trans	-106.2	103.4	156.1	25.7	-10.1	0	0	0	109.6	F300	P298-F300 PolarHBondContact O-N 3Å
299	S	21.6	Very low	25	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	79%	0.785	S	S	*	*			trans	-66.3	108.7	156.8	32.8	0	0	0	0	109.3
300	F	27.8	Very low	25.2	Very low	198 Å²	198	136.2 Å²	136.2	87%	0.868	78%	0.779	S	S	*	*			trans	-127.1	109.2	157.8	-96.1	-84.4	0	0	0	109.4	P298 G302	P298-F300 PolarHBondContact O-N 3Å; F300-G302 PolarHBondContact O-N 2.98Å
301	Y	24	Very low	25.7	Very low	227 Å²	227	133.8 Å²	133.8	89%	0.89	78%	0.781	S	S	*	*			trans	-56.8	114.1	164.9	-95	-98.8	0	0	0	109.3
302	G	25.8	Very low	25.7	Very low	71 Å²	71	133.9 Å²	133.9	73%	0.732	78%	0.78	S	S	*	*			trans	-127.1	93	166.5	0	0	0	0	0	108.5	F300 G304	F300-G302 PolarHBondContact O-N 2.98Å; G302-G304 PolarHBondContact O-N 3.4Å
303	S	25.1	Very low	26.3	Very low	126 Å²	126	131.6 Å²	131.6	88%	0.881	78%	0.781	S	S	*	*			trans	-61.1	96.7	171.8	-60.7	0	0	0	0	109.9
304	G	27.6	Very low	27.2	Very low	57 Å²	57	131.3 Å²	131.3	59%	0.588	78%	0.775	S	S	*	*			trans	-130.7	109.6	170.9	0	0	0	0	0	108.6	G302 L306	G302-G304 PolarHBondContact O-N 3.4Å; G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 3.01Å
305	L	26.6	Very low	28.4	Very low	189 Å²	189	130.1 Å²	130.1	99%	0.99	77%	0.771	S	S	*	*			trans	-54	94.1	168.6	-82.1	152.9	0	0	0	109.6
306	L	27.3	Very low	30.4	Very low	148 Å²	148	128.4 Å²	128.4	78%	0.775	77%	0.768	S	S	*	*			trans	-116.3	110.6	163.3	-72.7	175.6	0	0	0	107.1	G304	G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 3.01Å
307	A	26.3	Very low	32.2	Very low	82 Å²	82	121.7 Å²	121.7	68%	0.678	73%	0.733	S	S	*	*			trans	-49	151.7	169.2	0	0	0	0	0	110.2	F309	A307-F309 PolarHBondContact O-N 3.47Å; A307-F309 VanDerWaalsContact O-N 3.07Å
308	P	30.8	Very low	34.8	Very low	116 Å²	116	120 Å²	120	75%	0.753	72%	0.72	S	S	*	*			trans	-60.4	121.3	-172.2	7.8	0.1	0	0	0	108.5	D310	P308-D310 PolarHBondContact O-N 3.35Å
309	F	28.5	Very low	37.1	Very low	189 Å²	189	120 Å²	120	83%	0.829	72%	0.72	S	S	*	*			trans	-59.4	99.9	159.2	-90.2	-93.6	0	0	0	106	A307 A311	A307-F309 PolarHBondContact O-N 3.47Å; A307-F309 VanDerWaalsContact O-N 3.07Å; F309-A311 PolarHBondContact O-N 3.07Å
310	D	27.3	Very low	39.4	Very low	132 Å²	132	121.2 Å²	121.2	71%	0.706	72%	0.715	S	S	*	*			trans	-49.4	112.3	162	-89.1	-37.1	0	0	0	106.7	P308 T312	P308-D310 PolarHBondContact O-N 3.35Å; D310-T312 PolarHBondContact O-N 3.29Å
311	A	30.3	Very low	41.7	Very low	104 Å²	104	115 Å²	115	86%	0.86	69%	0.689	S	S	*	*			trans	-69.1	62.4	167.2	0	0	0	0	0	108.9	F309 A313	F309-A311 PolarHBondContact O-N 3.07Å; A311-A313 VanDerWaalsContact C-N 3.3Å
312	T	30.6	Very low	44.4	Very low	116 Å²	116	107.6 Å²	107.6	71%	0.712	66%	0.663	S	S	*	*			trans	-104.3	51.6	159.8	54.6	0	0	0	0	107.5	D310 S314	D310-T312 PolarHBondContact O-N 3.29Å; T312-S314 PolarHBondContact O-N 2.95Å
313	A	34.7	Very low	47.2	Very low	96 Å²	96	111.5 Å²	111.5	79%	0.793	66%	0.656	S	S	*	*			trans	-64.3	89	154.3	0	0	0	0	0	105.3	A311 S315	A311-A313 VanDerWaalsContact C-N 3.3Å; A313-S315 PolarHBondContact O-N 3.38Å
314	S	42.1	Very low	50	Low	76 Å²	76	108.9 Å²	108.9	53%	0.531	63%	0.63	S	S	.	*			trans	-50.7	114.9	167.8	60.5	0	0	0	0	105.9	T312 F316	T312-S314 PolarHBondContact O-N 2.95Å; S314-F316 VanDerWaalsContact O-CD2 3.3Å; S314-F316 WeakPolarHBondContact O-CD2 3.23Å; S314-F316 PolarHBondContact O-N 2.98Å; S314-F316 VanDerWaalsContact OG-CE2 3.22Å; S314-F316 WeakPolarHBondContact OG-CE2 3.41Å
315	S	47.1	Very low	52.8	Low	94 Å²	94	107.2 Å²	107.2	66%	0.657	61%	0.606	S	S	*	*			trans	-55.8	92.6	175	52.2	0	0	0	0	108	A313 L317	A313-S315 PolarHBondContact O-N 3.38Å; S315-L317 PolarHBondContact O-N 2.89Å
316	F	62.2	Low	55.7	Low	185 Å²	185	102 Å²	102	81%	0.811	58%	0.579	S	S	*	*			trans	-68.9	102.4	170.1	-80.8	-81	0	0	0	105.7	S314	S314-F316 VanDerWaalsContact O-CD2 3.3Å; S314-F316 WeakPolarHBondContact O-CD2 3.23Å; S314-F316 PolarHBondContact O-N 2.98Å; S314-F316 VanDerWaalsContact OG-CE2 3.22Å; S314-F316 WeakPolarHBondContact OG-CE2 3.41Å
317	L	62.9	Low	58.6	Low	27 Å²	27	97.4 Å²	97.4	14%	0.141	56%	0.557	C	S	.	*			trans	-59.1	146.4	170.9	-71.7	163.9	0	0	0	109.1	S315 E321 Q322 P460 T461	S315-L317 PolarHBondContact O-N 2.89Å; L317-E321 HydrophobicContact CB-CB 4.3Å; L317-E321 WeakPolarHBondContact CD2-OE2 3.44Å; L317-Q322 HydrophobicContact CB-CB 4.42Å; L317-P460 HydrophobicContact CD1-CB 3.47Å; L317-P460 VanDerWaalsContact CD1-CB 3.47Å; L317-P460 HydrophobicContact CD1-CG 3.55Å; L317-T461 HydrophobicContact CD2-CG2 3.49Å; L317-T461 VanDerWaalsContact CD2-CG2 3.49Å
318	P	74.9	Confident	61.6	Low	69 Å²	69	93.6 Å²	93.6	45%	0.448	53%	0.526	S	S	.	.			trans	-49.7	143.4	167.6	-23.6	32.3	0	0	0	110.5	M320 E321 Q322	P318-M320 PolarHBondContact O-N 2.88Å; P318-E321 HydrophobicContact CB-CG 4.44Å; P318-E321 WeakPolarHBondContact CD-OE2 3.39Å; P318-E321 HydrophobicContact CG-CG 4.41Å; P318-E321 PolarHBondContact O-N 3.44Å; P318-Q322 PolarHBondContact O-N 3.42Å; P318-Q322 VanDerWaalsContact O-N 3.13Å
319	P	74.9	Confident	64.4	Low	114 Å²	114	91.2 Å²	91.2	74%	0.74	50%	0.501	S	S	*	.	H	α-helix	trans	-51.5	-34.8	-175.3	-29.8	34.9	0	0	0	114.7	Y323	P319-Y323 PolarHBondContact O-N 3.41Å
320	M	70.6	Confident	67.3	Low	129 Å²	129	85.1 Å²	85.1	64%	0.635	48%	0.476	S	S	*	.	H	α-helix	trans	-69.8	-41.2	178.5	-73.5	-58.5	-60.5	0	0	113.4	P318 Q322 Y323 Q324	P318-M320 PolarHBondContact O-N 2.88Å; M320-Q322 VanDerWaalsContact C-N 3.33Å; M320-Y323 PolarHBondContact O-N 2.93Å; M320-Q324 WeakPolarHBondContact O-CG 3.12Å; M320-Q324 PolarHBondContact O-N 3.38Å
321	E	75.4	Confident	70.3	Confident	67 Å²	67	81.6 Å²	81.6	31%	0.313	46%	0.455	S	S	.	.	H	α-helix	trans	-68.2	-38.3	177.6	-67	-176.5	-176	0	0	110.8	L317 P318 Y323 Q324 Y325	L317-E321 HydrophobicContact CB-CB 4.3Å; L317-E321 WeakPolarHBondContact CD2-OE2 3.44Å; P318-E321 HydrophobicContact CB-CG 4.44Å; P318-E321 WeakPolarHBondContact CD-OE2 3.39Å; P318-E321 HydrophobicContact CG-CG 4.41Å; P318-E321 PolarHBondContact O-N 3.44Å; E321-Y323 VanDerWaalsContact C-N 3.34Å; E321-Y323 PolarHBondContact O-N 3.4Å; E321-Q324 PolarHBondContact O-N 3.1Å; E321-Y325 WeakPolarHBondContact O-CB 3.35Å; E321-Y325 PolarHBondContact O-N 2.93Å
322	Q	81.6	Confident	73.1	Confident	73 Å²	73	76.7 Å²	76.7	34%	0.341	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-40.9	173.9	-172.5	62.8	40.9	0	0	111.8	L317 P318 M320 N326	L317-Q322 HydrophobicContact CB-CB 4.42Å; P318-Q322 PolarHBondContact O-N 3.42Å; P318-Q322 VanDerWaalsContact O-N 3.13Å; M320-Q322 VanDerWaalsContact C-N 3.33Å; Q322-N326 VanDerWaalsContact O-CG 3.25Å; Q322-N326 PolarHBondContact O-N 2.86Å; Q322-N326 PolarHBondContact O-ND2 3.04Å
323	Y	83.5	Confident	75.7	Confident	152 Å²	152	76.2 Å²	76.2	60%	0.596	40%	0.4	S	S	*	.	H	α-helix	trans	-63	-50.4	176	176.2	-97	0	0	0	111.7	P319 M320 E321 Y325 N326 V327	P319-Y323 PolarHBondContact O-N 3.41Å; M320-Y323 PolarHBondContact O-N 2.93Å; E321-Y323 VanDerWaalsContact C-N 3.34Å; E321-Y323 PolarHBondContact O-N 3.4Å; Y323-Y325 VanDerWaalsContact C-N 3.3Å; Y323-Y325 PolarHBondContact O-N 2.93Å; Y323-N326 WeakPolarHBondContact O-CB 3.28Å; Y323-N326 PolarHBondContact O-N 3.04Å; Y323-N326 VanDerWaalsContact O-N 3.09Å; Y323-V327 HydrophobicContact CD1-CG2 4.25Å; Y323-V327 HydrophobicContact CE1-CG2 3.79Å; Y323-V327 HydrophobicContact CE2-CG2 4.36Å; Y323-V327 WeakPolarHBondContact O-CG2 3.09Å; Y323-V327 PolarHBondContact O-N 3.23Å
324	Q	84.6	Confident	78.2	Confident	72 Å²	72	74 Å²	74	34%	0.336	37%	0.374	S	S	.	.	H	α-helix	trans	-57.7	-43.6	177.8	-72.9	178	-18.7	0	0	111.7	M320 E321 N326 V327 L328	M320-Q324 WeakPolarHBondContact O-CG 3.12Å; M320-Q324 PolarHBondContact O-N 3.38Å; E321-Q324 PolarHBondContact O-N 3.1Å; Q324-N326 VanDerWaalsContact C-N 3.34Å; Q324-N326 PolarHBondContact O-N 3.25Å; Q324-V327 WeakPolarHBondContact O-CB 3.43Å; Q324-V327 PolarHBondContact O-N 2.97Å; Q324-L328 PolarHBondContact O-N 3.48Å
325	Y	86.6	Confident	80.2	Confident	22 Å²	22	71 Å²	71	9%	0.086	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-41.8	175.7	-178.7	-111.7	0	0	0	112.7	E321 Y323 V327 L328 R329 M456 S458 P460 M463	E321-Y325 WeakPolarHBondContact O-CB 3.35Å; E321-Y325 PolarHBondContact O-N 2.93Å; Y323-Y325 VanDerWaalsContact C-N 3.3Å; Y323-Y325 PolarHBondContact O-N 2.93Å; Y325-V327 VanDerWaalsContact C-N 3.34Å; Y325-V327 PolarHBondContact O-N 3.47Å; Y325-L328 PolarHBondContact O-N 2.88Å; Y325-R329 HydrophobicContact CD1-CG 4.29Å; Y325-R329 VanDerWaalsContact CE1-CD 3.48Å; Y325-R329 HydrophobicContact CE1-CG 4Å; Y325-R329 HydrophobicContact CE2-CG 4.45Å; Y325-R329 WeakPolarHBondContact O-CG 3.41Å; Y325-R329 PolarHBondContact O-N 3.07Å; Y325-R329 PolarHBondContact OH-NH1 2.97Å; Y325-M456 PolarHBondContact OH-O 3.44Å; Y325-S458 PolarHBondContact OH-O 3.44Å; Y325-P460 HydrophobicContact CD1-CB 4.07Å; Y325-P460 HydrophobicContact CD1-CG 3.81Å; Y325-P460 HydrophobicContact CD2-CB 3.44Å; Y325-P460 VanDerWaalsContact CD2-CB 3.44Å; Y325-P460 HydrophobicContact CD2-CG 3.91Å; Y325-P460 HydrophobicContact CE1-CB 4.28Å; Y325-P460 HydrophobicContact CE1-CG 3.66Å; Y325-P460 HydrophobicContact CE2-CB 3.66Å; Y325-P460 HydrophobicContact CE2-CG 3.76Å; Y325-P460 HydrophobicContact CG-CB 3.63Å; Y325-P460 HydrophobicContact CG-CG 3.91Å; Y325-M463 HydrophobicContact CD2-CG 4.19Å; Y325-M463 HydrophobicContact CE2-CE 3.65Å; Y325-M463 HydrophobicContact CE2-CG 3.89Å
326	N	87.8	Confident	81.9	Confident	79 Å²	79	68.5 Å²	68.5	42%	0.422	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-38.1	176.7	-73	-27	0	0	0	112.4	Q322 Y323 Q324 R329 Q330	Q322-N326 VanDerWaalsContact O-CG 3.25Å; Q322-N326 PolarHBondContact O-N 2.86Å; Q322-N326 PolarHBondContact O-ND2 3.04Å; Y323-N326 WeakPolarHBondContact O-CB 3.28Å; Y323-N326 PolarHBondContact O-N 3.04Å; Y323-N326 VanDerWaalsContact O-N 3.09Å; Q324-N326 VanDerWaalsContact C-N 3.34Å; Q324-N326 PolarHBondContact O-N 3.25Å; N326-R329 PolarHBondContact O-N 2.97Å; N326-Q330 PolarHBondContact O-N 3.36Å
327	V	88.4	Confident	82.8	Confident	52 Å²	52	65 Å²	65	32%	0.315	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-50	173.4	173.2	0	0	0	0	110.4	Y323 Q324 Y325 R329 Q330 Q331	Y323-V327 HydrophobicContact CD1-CG2 4.25Å; Y323-V327 HydrophobicContact CE1-CG2 3.79Å; Y323-V327 HydrophobicContact CE2-CG2 4.36Å; Y323-V327 WeakPolarHBondContact O-CG2 3.09Å; Y323-V327 PolarHBondContact O-N 3.23Å; Q324-V327 WeakPolarHBondContact O-CB 3.43Å; Q324-V327 PolarHBondContact O-N 2.97Å; Y325-V327 VanDerWaalsContact C-N 3.34Å; Y325-V327 PolarHBondContact O-N 3.47Å; V327-R329 VanDerWaalsContact C-N 3.33Å; V327-R329 PolarHBondContact O-N 3.36Å; V327-Q330 WeakPolarHBondContact O-CB 3.36Å; V327-Q330 PolarHBondContact O-N 2.98Å; V327-Q331 HydrophobicContact CG1-CG 4.46Å; V327-Q331 WeakPolarHBondContact O-CG 3.49Å; V327-Q331 PolarHBondContact O-N 3.43Å
328	L	89.7	Confident	83.3	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-56.8	-46.3	176	176.3	64.4	0	0	0	111.6	Q324 Y325 Q330 Q331 L332 M463 L465 F468	Q324-L328 PolarHBondContact O-N 3.48Å; Y325-L328 PolarHBondContact O-N 2.88Å; L328-Q330 VanDerWaalsContact C-N 3.25Å; L328-Q330 PolarHBondContact O-N 3.23Å; L328-Q331 PolarHBondContact O-N 3.41Å; L328-L332 HydrophobicContact CD1-CD1 4.35Å; L328-L332 HydrophobicContact CD1-CG 4.23Å; L328-L332 HydrophobicContact CG-CD1 4.04Å; L328-L332 HydrophobicContact CG-CG 4.35Å; L328-L332 WeakPolarHBondContact O-CB 3.45Å; L328-L332 VanDerWaalsContact O-CG 3.24Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.2Å; L328-M463 HydrophobicContact CD2-CB 4.16Å; L328-M463 HydrophobicContact CD2-CG 4.09Å; L328-M463 HydrophobicContact CD2-SD 4.29Å; L328-L465 HydrophobicContact CD1-CD1 3.52Å; L328-L465 HydrophobicContact CD1-CG 4.07Å; L328-L465 VanDerWaalsContact CD2-O 3.3Å; L328-L465 WeakPolarHBondContact CD2-O 3.38Å; L328-F468 HydrophobicContact CD1-CD2 4.19Å; L328-F468 HydrophobicContact CD1-CE2 4.09Å
329	R	88.9	Confident	83.1	Confident	65 Å²	65	72.7 Å²	72.7	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-37.9	176.5	-72.5	-176.2	85.6	94.9	4.2	112.4	Y325 N326 V327 R333 M456	Y325-R329 HydrophobicContact CD1-CG 4.29Å; Y325-R329 VanDerWaalsContact CE1-CD 3.48Å; Y325-R329 HydrophobicContact CE1-CG 4Å; Y325-R329 HydrophobicContact CE2-CG 4.45Å; Y325-R329 WeakPolarHBondContact O-CG 3.41Å; Y325-R329 PolarHBondContact O-N 3.07Å; Y325-R329 PolarHBondContact OH-NH1 2.97Å; N326-R329 PolarHBondContact O-N 2.97Å; V327-R329 VanDerWaalsContact C-N 3.33Å; V327-R329 PolarHBondContact O-N 3.36Å; R329-R333 WeakPolarHBondContact O-CG 3.5Å; R329-R333 PolarHBondContact O-N 3.36Å; R329-R333 VanDerWaalsContact O-N 3.12Å; R329-M456 PolarHBondContact NH1-O 3Å; R329-M456 PolarHBondContact NH2-O 2.9Å
330	Q	88.9	Confident	82.7	Confident	62 Å²	62	74.9 Å²	74.9	29%	0.29	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-48.3	176.1	-178	58.2	33.6	0	0	110.9	N326 V327 L328 L332 R333 D334	N326-Q330 PolarHBondContact O-N 3.36Å; V327-Q330 WeakPolarHBondContact O-CB 3.36Å; V327-Q330 PolarHBondContact O-N 2.98Å; L328-Q330 VanDerWaalsContact C-N 3.25Å; L328-Q330 PolarHBondContact O-N 3.23Å; Q330-L332 VanDerWaalsContact C-N 3.26Å; Q330-L332 PolarHBondContact O-N 3.09Å; Q330-R333 WeakPolarHBondContact O-CB 3.38Å; Q330-R333 PolarHBondContact O-N 3.39Å; Q330-R333 VanDerWaalsContact OE1-CZ 3.31Å; Q330-R333 VanDerWaalsContact OE1-NE 3.09Å; Q330-D334 PolarHBondContact NE2-OD1 3.41Å; Q330-D334 PolarHBondContact NE2-OD2 2.97Å; Q330-D334 VanDerWaalsContact O-CG 3.3Å; Q330-D334 PolarHBondContact O-N 3.01Å
331	Q	90.1	Very high	82.3	Confident	57 Å²	57	73.3 Å²	73.3	27%	0.266	34%	0.34	S	S	.	.	H	α-helix	trans	-58.1	-38.7	176.1	-67.6	177.8	-33	0	0	112.1	V327 L328 D334 L335 G467 F468	V327-Q331 HydrophobicContact CG1-CG 4.46Å; V327-Q331 WeakPolarHBondContact O-CG 3.49Å; V327-Q331 PolarHBondContact O-N 3.43Å; L328-Q331 PolarHBondContact O-N 3.41Å; Q331-D334 PolarHBondContact O-N 2.87Å; Q331-L335 WeakPolarHBondContact O-CB 3.44Å; Q331-L335 PolarHBondContact O-N 3.23Å; Q331-G467 VanDerWaalsContact OE1-CA 3.23Å; Q331-F468 HydrophobicContact CB-CD2 4.1Å; Q331-F468 PolarHBondContact NE2-O 3.45Å
332	L	88.8	Confident	81.3	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-41.2	174.7	-71.8	173.3	0	0	0	112.5	L328 Q330 D334 L335 V336 F447 P452 M456 F468	L328-L332 HydrophobicContact CD1-CD1 4.35Å; L328-L332 HydrophobicContact CD1-CG 4.23Å; L328-L332 HydrophobicContact CG-CD1 4.04Å; L328-L332 HydrophobicContact CG-CG 4.35Å; L328-L332 WeakPolarHBondContact O-CB 3.45Å; L328-L332 VanDerWaalsContact O-CG 3.24Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.2Å; Q330-L332 VanDerWaalsContact C-N 3.26Å; Q330-L332 PolarHBondContact O-N 3.09Å; L332-D334 VanDerWaalsContact C-N 3.33Å; L332-L335 PolarHBondContact O-N 3.29Å; L332-V336 VanDerWaalsContact O-CG2 3.29Å; L332-V336 WeakPolarHBondContact O-CG2 3.34Å; L332-V336 PolarHBondContact O-N 3.31Å; L332-V336 VanDerWaalsContact O-N 3.11Å; L332-F447 HydrophobicContact CD2-CE2 4.34Å; L332-F447 HydrophobicContact CD2-CZ 4.31Å; L332-P452 HydrophobicContact CD2-CB 3.21Å; L332-P452 HydrophobicContact CD2-CG 4.34Å; L332-M456 HydrophobicContact CD1-CG 4.19Å; L332-F468 HydrophobicContact CD2-CE2 3.59Å; L332-F468 HydrophobicContact CD2-CZ 4.01Å; L332-F468 HydrophobicContact CG-CE2 4.23Å
333	R	87.2	Confident	79.6	Confident	107 Å²	107	76.1 Å²	76.1	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-43.6	173.1	-73.5	-174.8	-69.6	-94.5	6.8	111	R329 Q330 L335 V336 L337	R329-R333 WeakPolarHBondContact O-CG 3.5Å; R329-R333 PolarHBondContact O-N 3.36Å; R329-R333 VanDerWaalsContact O-N 3.12Å; Q330-R333 WeakPolarHBondContact O-CB 3.38Å; Q330-R333 PolarHBondContact O-N 3.39Å; Q330-R333 VanDerWaalsContact OE1-CZ 3.31Å; Q330-R333 VanDerWaalsContact OE1-NE 3.09Å; R333-L335 VanDerWaalsContact C-N 3.34Å; R333-L335 PolarHBondContact O-N 3.46Å; R333-V336 PolarHBondContact O-N 3.14Å; R333-L337 WeakPolarHBondContact O-CG 3.36Å; R333-L337 PolarHBondContact O-N 3.49Å
334	D	86.4	Confident	77.4	Confident	50 Å²	50	79.5 Å²	79.5	27%	0.267	37%	0.373	S	S	.	.	H	α-helix	trans	-65.8	-38.1	179.8	-63	-22.7	0	0	0	111.6	Q330 Q331 L332 L337 R338	Q330-D334 PolarHBondContact NE2-OD1 3.41Å; Q330-D334 PolarHBondContact NE2-OD2 2.97Å; Q330-D334 VanDerWaalsContact O-CG 3.3Å; Q330-D334 PolarHBondContact O-N 3.01Å; Q331-D334 PolarHBondContact O-N 2.87Å; L332-D334 VanDerWaalsContact C-N 3.33Å; D334-L337 PolarHBondContact O-N 3.32Å; D334-R338 WeakPolarHBondContact O-CG 3.46Å; D334-R338 PolarHBondContact O-N 3.19Å
335	L	84.7	Confident	75	Confident	12 Å²	12	85 Å²	85	6%	0.063	40%	0.399	C	S	.	.	H	α-helix	trans	-60.8	-46	174.9	-171.9	66.2	0	0	0	111.7	Q331 L332 R333 L337 R338 R339 F468 I476 F484 D486	Q331-L335 WeakPolarHBondContact O-CB 3.44Å; Q331-L335 PolarHBondContact O-N 3.23Å; L332-L335 PolarHBondContact O-N 3.29Å; R333-L335 VanDerWaalsContact C-N 3.34Å; R333-L335 PolarHBondContact O-N 3.46Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.21Å; L335-R338 PolarHBondContact O-N 2.78Å; L335-R339 PolarHBondContact O-N 2.97Å; L335-F468 HydrophobicContact CD2-CE2 4.11Å; L335-F468 HydrophobicContact CD2-CZ 3.93Å; L335-I476 HydrophobicContact CD1-CD1 3.41Å; L335-I476 VanDerWaalsContact CD1-CD1 3.41Å; L335-F484 HydrophobicContact CD2-CD1 4.44Å; L335-F484 HydrophobicContact CD2-CE1 4.02Å; L335-D486 HydrophobicContact CD1-CB 4.2Å; L335-D486 HydrophobicContact CD2-CB 3.69Å; L335-D486 HydrophobicContact CG-CB 3.8Å
336	V	82	Confident	72.2	Confident	41 Å²	41	92.2 Å²	92.2	25%	0.248	43%	0.434	C	S	.	.	H	α-helix	trans	-62.8	-41	175.6	174.4	0	0	0	0	111.6	L332 R333 R339 K340 T453	L332-V336 VanDerWaalsContact O-CG2 3.29Å; L332-V336 WeakPolarHBondContact O-CG2 3.34Å; L332-V336 PolarHBondContact O-N 3.31Å; L332-V336 VanDerWaalsContact O-N 3.11Å; R333-V336 PolarHBondContact O-N 3.14Å; V336-R339 PolarHBondContact O-N 3.28Å; V336-K340 WeakPolarHBondContact O-CG 3.46Å; V336-K340 PolarHBondContact O-N 3.4Å; V336-T453 HydrophobicContact CG2-CG2 3.21Å
337	L	80.2	Confident	69.6	Low	112 Å²	112	93.3 Å²	93.3	59%	0.586	44%	0.444	S	S	*	.	H	α-helix	trans	-64.4	-40.9	176.7	-71.1	172.7	0	0	0	111.6	R333 D334 L335 K340 S341	R333-L337 WeakPolarHBondContact O-CG 3.36Å; R333-L337 PolarHBondContact O-N 3.49Å; D334-L337 PolarHBondContact O-N 3.32Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.21Å; L337-K340 PolarHBondContact O-N 3.43Å; L337-S341 PolarHBondContact O-N 3.13Å; L337-S341 VanDerWaalsContact O-N 3.15Å
338	R	74.5	Confident	66.9	Low	143 Å²	143	98.1 Å²	98.1	54%	0.54	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-45.5	173.6	-73.7	-179.5	-167.6	-178.7	5.7	111.5	D334 L335 K340 S341 L342	D334-R338 WeakPolarHBondContact O-CG 3.46Å; D334-R338 PolarHBondContact O-N 3.19Å; L335-R338 PolarHBondContact O-N 2.78Å; R338-K340 PolarHBondContact O-N 2.9Å; R338-S341 WeakPolarHBondContact O-CB 3.33Å; R338-S341 PolarHBondContact O-N 2.88Å; R338-S341 VanDerWaalsContact O-N 3.07Å; R338-L342 PolarHBondContact O-N 3.39Å; R338-L342 VanDerWaalsContact O-N 3.1Å
339	R	70.3	Confident	64.2	Low	115 Å²	115	103.3 Å²	103.3	43%	0.434	50%	0.495	S	S	.	.	H	α-helix	trans	-56.7	-49.6	176.1	-177.7	178.1	175.6	166.3	2.2	111.5	L335 V336 S341 L342 V343 D486	L335-R339 PolarHBondContact O-N 2.97Å; V336-R339 PolarHBondContact O-N 3.28Å; R339-S341 PolarHBondContact O-N 3.37Å; R339-L342 PolarHBondContact O-N 2.79Å; R339-L342 VanDerWaalsContact O-N 3.08Å; R339-V343 HydrophobicContact CG-CG2 4.07Å; R339-V343 VanDerWaalsContact O-CG2 3.31Å; R339-V343 WeakPolarHBondContact O-CG2 3.43Å; R339-V343 PolarHBondContact O-N 3.28Å; R339-D486 PolarHBondContact NH1-O 3.13Å; R339-D486 IonicContact NH1-OD2 3.09Å
340	K	66.2	Low	61.6	Low	159 Å²	159	107.5 Å²	107.5	69%	0.691	52%	0.517	S	S	*	.	H	α-helix	trans	-61.6	-23.1	177.5	-72.6	-177.4	177.1	-175.3	0	113.9	V336 L337 R338	V336-K340 WeakPolarHBondContact O-CG 3.46Å; V336-K340 PolarHBondContact O-N 3.4Å; L337-K340 PolarHBondContact O-N 3.43Å; R338-K340 PolarHBondContact O-N 2.9Å
341	S	61.9	Low	59	Low	96 Å²	96	110.5 Å²	110.5	67%	0.671	54%	0.54	S	S	*	.	H	α-helix	trans	-85.4	-23.9	175.7	-171.6	0	0	0	0	113.7	L337 R338 R339	L337-S341 PolarHBondContact O-N 3.13Å; L337-S341 VanDerWaalsContact O-N 3.15Å; R338-S341 WeakPolarHBondContact O-CB 3.33Å; R338-S341 PolarHBondContact O-N 2.88Å; R338-S341 VanDerWaalsContact O-N 3.07Å; R339-S341 PolarHBondContact O-N 3.37Å
342	L	56.1	Low	56.2	Low	111 Å²	111	111.5 Å²	111.5	58%	0.581	56%	0.558	S	S	*	*	H	α-helix	trans	-94.2	-31.7	-178	-72.1	171.8	0	0	0	112.7	R338 R339 R344 I393	R338-L342 PolarHBondContact O-N 3.39Å; R338-L342 VanDerWaalsContact O-N 3.1Å; R339-L342 PolarHBondContact O-N 2.79Å; R339-L342 VanDerWaalsContact O-N 3.08Å; L342-R344 PolarHBondContact O-N 2.76Å; L342-I393 HydrophobicContact CD1-CD1 4.31Å; L342-I393 HydrophobicContact CD1-CG2 3.99Å
343	V	44.9	Very low	53.6	Low	89 Å²	89	121.5 Å²	121.5	54%	0.539	60%	0.595	S	S	.	*			trans	-66.8	99.2	172.8	177.8	0	0	0	0	107.5	R339 E345	R339-V343 HydrophobicContact CG-CG2 4.07Å; R339-V343 VanDerWaalsContact O-CG2 3.31Å; R339-V343 WeakPolarHBondContact O-CG2 3.43Å; R339-V343 PolarHBondContact O-N 3.28Å; V343-E345 PolarHBondContact O-N 3.01Å
344	R	37.8	Very low	51	Low	222 Å²	222	125.4 Å²	125.4	84%	0.838	62%	0.618	S	S	*	*			trans	-53.5	131.6	146.5	-82.5	176.1	128.5	118.7	-5.2	105	L342 E346	L342-R344 PolarHBondContact O-N 2.76Å; R344-E346 PolarHBondContact O-N 2.84Å
345	E	33.1	Very low	48.4	Very low	187 Å²	187	125.9 Å²	125.9	87%	0.874	64%	0.636	S	S	*	*			trans	-56.1	90.3	161.7	-77.5	177.6	158.5	0	0	106.4	V343 T347	V343-E345 PolarHBondContact O-N 3.01Å; E345-T347 PolarHBondContact O-N 2.83Å
346	E	29.5	Very low	45.8	Very low	174 Å²	174	132.2 Å²	132.2	81%	0.813	67%	0.669	S	S	*	*			trans	-65.9	115.4	152.8	-71.8	-175.9	166.7	0	0	103.3	R344 D348	R344-E346 PolarHBondContact O-N 2.84Å; E346-D348 PolarHBondContact O-N 2.7Å
347	T	31.7	Very low	43.3	Very low	103 Å²	103	134 Å²	134	63%	0.632	70%	0.695	S	S	*	*			trans	-49.1	135.3	171.6	40.9	0	0	0	0	107.5	E345 D349	E345-T347 PolarHBondContact O-N 2.83Å; T347-D349 PolarHBondContact O-N 2.94Å; T347-D349 PolarHBondContact OG1-OD2 2.88Å
348	D	31.7	Very low	40.9	Very low	153 Å²	153	133.9 Å²	133.9	82%	0.818	70%	0.699	S	S	*	*	S	Bend	trans	-61.8	67.5	175.6	-72.7	-46.4	0	0	0	110.6	E346	E346-D348 PolarHBondContact O-N 2.7Å
349	D	34.2	Very low	38.8	Very low	111 Å²	111	132.7 Å²	132.7	59%	0.594	71%	0.71	S	S	*	*			trans	-94.8	2.8	174.1	-71.2	-48.1	0	0	0	111.1	T347	T347-D349 PolarHBondContact O-N 2.94Å; T347-D349 PolarHBondContact OG1-OD2 2.88Å
350	E	33.9	Very low	36.9	Very low	152 Å²	152	133.9 Å²	133.9	71%	0.71	72%	0.724	S	S	*	*	S	Bend	trans	-82.6	-14.7	172.9	-80.2	-146.7	141.6	0	0	114.3	A352	E350-A352 PolarHBondContact O-N 3.4Å
351	V	34.4	Very low	35.3	Very low	126 Å²	126	130.4 Å²	130.4	76%	0.764	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-14.7	170.7	-175.7	0	0	0	0	111.7
352	A	31.9	Very low	34.2	Very low	78 Å²	78	135.6 Å²	135.6	65%	0.645	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-10.9	177.5	0	0	0	0	0	114.2	E350	E350-A352 PolarHBondContact O-N 3.4Å
353	R	32.7	Very low	33.4	Very low	210 Å²	210	134.6 Å²	134.6	79%	0.792	73%	0.73	S	S	*	*	S	Bend	trans	-97.8	-2.7	-177.2	-143.6	179	66	84.5	3	115.1
354	E	32.4	Very low	33.1	Very low	189 Å²	189	134.3 Å²	134.3	88%	0.883	73%	0.726	S	S	*	*	S	Bend	trans	-88.5	1.8	170	-72.8	-163.5	153.7	0	0	113.8
355	G	33.3	Very low	33.2	Very low	61 Å²	61	128.2 Å²	128.2	63%	0.629	72%	0.722	S	S	*	*	S	Bend	trans	-101.1	-11.8	-173.6	0	0	0	0	0	117.6
356	L	28.4	Very low	33.5	Very low	145 Å²	145	125 Å²	125	76%	0.759	72%	0.719	S	S	*	*			trans	-138	68.5	-172.7	-127	85.2	0	0	0	111.8	T358	L356-T358 HydrophobicContact CD2-CG2 4.38Å; L356-T358 PolarHBondContact O-N 3.2Å
357	G	30.1	Very low	34	Very low	77 Å²	77	122 Å²	122	79%	0.794	71%	0.708	S	S	*	*			trans	-59	94.6	146.9	0	0	0	0	0	107	P359	G357-P359 VanDerWaalsContact O-CD 3.24Å; G357-P359 WeakPolarHBondContact O-CD 3.28Å; G357-P359 VanDerWaalsContact O-N 3.16Å
358	T	29.7	Very low	34.1	Very low	111 Å²	111	121 Å²	121	68%	0.681	72%	0.719	S	S	*	*			trans	-59.2	117.6	165.6	29.5	0	0	0	0	106	L356 L360	L356-T358 HydrophobicContact CD2-CG2 4.38Å; L356-T358 PolarHBondContact O-N 3.2Å; T358-L360 PolarHBondContact O-N 3.33Å; T358-L360 VanDerWaalsContact O-N 3.11Å
359	P	30.6	Very low	34.5	Very low	118 Å²	118	120.1 Å²	120.1	77%	0.766	71%	0.712	S	S	*	*			trans	-61.4	123.5	172.6	14.2	-13.3	0	0	0	106.7	G357	G357-P359 VanDerWaalsContact O-CD 3.24Å; G357-P359 WeakPolarHBondContact O-CD 3.28Å; G357-P359 VanDerWaalsContact O-N 3.16Å
360	L	30.4	Very low	34.7	Very low	140 Å²	140	117.7 Å²	117.7	73%	0.733	70%	0.704	S	S	*	*			trans	-41.8	129.2	167.7	-93.9	142.4	0	0	0	108.4	T358 K362 L364	T358-L360 PolarHBondContact O-N 3.33Å; T358-L360 VanDerWaalsContact O-N 3.11Å; L360-K362 PolarHBondContact O-N 3.34Å; L360-L364 HydrophobicContact CD2-CD1 4.34Å
361	P	32.2	Very low	35.3	Very low	86 Å²	86	119 Å²	119	56%	0.558	71%	0.71	S	S	*	*			trans	-55.7	129.6	-176.3	-20.6	29.6	0	0	0	109.3	S363 L364	P361-S363 PolarHBondContact O-N 3.05Å; P361-L364 PolarHBondContact O-N 2.99Å; P361-L364 VanDerWaalsContact O-N 3.14Å
362	K	38.7	Very low	35.9	Very low	205 Å²	205	118.9 Å²	118.9	89%	0.891	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	1.9	175.5	-72.1	-177.3	176.2	178.9	0	114.1	L360	L360-K362 PolarHBondContact O-N 3.34Å
363	S	40.4	Very low	36.9	Very low	89 Å²	89	118.5 Å²	118.5	62%	0.622	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-18.1	173	66.1	0	0	0	0	114.2	P361 A365 C366	P361-S363 PolarHBondContact O-N 3.05Å; S363-A365 VanDerWaalsContact C-N 3.35Å; S363-C366 PolarHBondContact O-N 3.5Å
364	L	38.9	Very low	37.9	Very low	84 Å²	84	114.9 Å²	114.9	44%	0.44	69%	0.694	S	S	.	*	G	3₁₀ helix	trans	-78.9	-17.6	175.2	-96.3	154.2	0	0	0	113.5	L360 P361 C366 L367 I369	L360-L364 HydrophobicContact CD2-CD1 4.34Å; P361-L364 PolarHBondContact O-N 2.99Å; P361-L364 VanDerWaalsContact O-N 3.14Å; L364-C366 PolarHBondContact O-N 3.19Å; L364-C366 VanDerWaalsContact O-N 3.15Å; L364-L367 HydrophobicContact CD2-CD1 3.88Å; L364-L367 PolarHBondContact O-N 2.93Å; L364-L367 VanDerWaalsContact O-N 3.13Å; L364-I369 HydrophobicContact CD2-CD1 4.43Å
365	A	38.5	Very low	39.3	Very low	93 Å²	93	109.8 Å²	109.8	77%	0.769	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-66.5	-10.1	171.5	0	0	0	0	0	113.5	S363	S363-A365 VanDerWaalsContact C-N 3.35Å
366	C	40.7	Very low	41.4	Very low	120 Å²	120	111.4 Å²	111.4	81%	0.811	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-96.1	-4.2	174.6	-113.6	0	0	0	0	113.9	S363 L364	S363-C366 PolarHBondContact O-N 3.5Å; L364-C366 PolarHBondContact O-N 3.19Å; L364-C366 VanDerWaalsContact O-N 3.15Å
367	L	38.5	Very low	44.1	Very low	112 Å²	112	107.6 Å²	107.6	59%	0.586	66%	0.663	S	S	*	*	S	Bend	trans	-96.1	106	166.3	-69.1	170.1	0	0	0	105.2	L364 I369	L364-L367 HydrophobicContact CD2-CD1 3.88Å; L364-L367 PolarHBondContact O-N 2.93Å; L364-L367 VanDerWaalsContact O-N 3.13Å; L367-I369 HydrophobicContact CB-CG1 4.28Å; L367-I369 PolarHBondContact O-N 2.86Å
368	G	34	Very low	47	Very low	82 Å²	82	106.4 Å²	106.4	85%	0.845	64%	0.641	S	S	*	*			trans	-63.2	58.9	177	0	0	0	0	0	112.8	S370	G368-S370 VanDerWaalsContact C-N 3.27Å; G368-S370 PolarHBondContact O-N 2.77Å
369	I	41.7	Very low	50.3	Low	134 Å²	134	101.2 Å²	101.2	69%	0.687	61%	0.609	S	S	*	*			trans	-68.1	97.6	166.5	-58.3	177.6	0	0	0	104.2	L364 L367 E371	L364-I369 HydrophobicContact CD2-CD1 4.43Å; L367-I369 HydrophobicContact CB-CG1 4.28Å; L367-I369 PolarHBondContact O-N 2.86Å; I369-E371 PolarHBondContact O-N 3.01Å
370	S	38.6	Very low	53.5	Low	60 Å²	60	95.6 Å²	95.6	42%	0.42	57%	0.572	S	S	.	*			trans	-46.1	118	-177.2	-174.8	0	0	0	0	111.5	G368 N372 A373	G368-S370 VanDerWaalsContact C-N 3.27Å; G368-S370 PolarHBondContact O-N 2.77Å; S370-N372 PolarHBondContact O-N 3.49Å; S370-N372 WeakPolarHBondContact OG-CB 3.45Å; S370-N372 VanDerWaalsContact OG-CG 3.31Å; S370-N372 PolarHBondContact OG-N 2.83Å; S370-N372 PolarHBondContact OG-ND2 2.84Å; S370-A373 PolarHBondContact O-N 3.43Å
371	E	45.5	Very low	56.8	Low	180 Å²	180	89 Å²	89	84%	0.841	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-11.8	163.7	-71.4	179.5	153.6	0	0	112.1	I369 A373 A375	I369-E371 PolarHBondContact O-N 3.01Å; E371-A373 VanDerWaalsContact C-N 3.29Å; E371-A373 PolarHBondContact O-N 3.23Å; E371-A375 PolarHBondContact O-N 3.34Å
372	N	48	Very low	59.9	Low	123 Å²	123	84.9 Å²	84.9	66%	0.658	51%	0.511	S	S	*	.	H	α-helix	trans	-67.7	-23.5	177.1	-63.5	-20.7	0	0	0	113.8	S370 E374 A375	S370-N372 PolarHBondContact O-N 3.49Å; S370-N372 WeakPolarHBondContact OG-CB 3.45Å; S370-N372 VanDerWaalsContact OG-CG 3.31Å; S370-N372 PolarHBondContact OG-N 2.83Å; S370-N372 PolarHBondContact OG-ND2 2.84Å; N372-E374 VanDerWaalsContact C-N 3.34Å; N372-E374 PolarHBondContact O-N 3.18Å; N372-A375 PolarHBondContact O-N 3.48Å
373	A	52.3	Low	62.8	Low	69 Å²	69	76.8 Å²	76.8	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-69.7	-33.3	-177.9	0	0	0	0	0	112.4	S370 E371	S370-A373 PolarHBondContact O-N 3.43Å; E371-A373 VanDerWaalsContact C-N 3.29Å; E371-A373 PolarHBondContact O-N 3.23Å
374	E	54.2	Low	65.5	Low	135 Å²	135	74.9 Å²	74.9	63%	0.631	46%	0.458	S	S	*	.	H	α-helix	trans	-82.7	-26.5	177.7	-157	158.1	-159	0	0	111.9	N372 S376 K377	N372-E374 VanDerWaalsContact C-N 3.34Å; N372-E374 PolarHBondContact O-N 3.18Å; E374-S376 PolarHBondContact O-N 3.43Å; E374-K377 PolarHBondContact O-N 3.35Å
375	A	60.4	Low	68.2	Low	82 Å²	82	75.7 Å²	75.7	68%	0.678	46%	0.463	S	S	*	.	H	α-helix	trans	-64.1	-21.1	173.9	0	0	0	0	0	113.6	E371 N372	E371-A375 PolarHBondContact O-N 3.34Å; N372-A375 PolarHBondContact O-N 3.48Å
376	S	78.5	Confident	71	Confident	95 Å²	95	71.9 Å²	71.9	66%	0.664	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-21	177.9	-169.7	0	0	0	0	113.5	E374 T378	E374-S376 PolarHBondContact O-N 3.43Å; S376-T378 PolarHBondContact O-N 2.73Å
377	K	84.2	Confident	73.7	Confident	65 Å²	65	66.2 Å²	66.2	28%	0.283	39%	0.392	S	S	.	.			trans	-86.7	107.3	-172.9	-53.7	-168.4	-166.4	-166.6	0	111.1	E374 D421 K422 C423 K424	E374-K377 PolarHBondContact O-N 3.35Å; K377-D421 WeakPolarHBondContact CE-O 3.39Å; K377-D421 PolarHBondContact NZ-O 3.01Å; K377-K422 WeakPolarHBondContact CB-O 3.14Å; K377-C423 VanDerWaalsContact CD-O 3.28Å; K377-C423 WeakPolarHBondContact CD-O 3.45Å; K377-K424 HydrophobicContact CB-CB 4.24Å
378	T	91.9	Very high	76.5	Confident	52 Å²	52	61 Å²	61	32%	0.319	37%	0.365	S	S	.	.			trans	-92.3	-34.9	-178.6	60.4	0	0	0	0	113	S376 T512 E513	S376-T378 PolarHBondContact O-N 2.73Å; T378-T512 CarbonylContact O-C 3.51Å; T378-T512 VanDerWaalsContact O-CA 3.23Å; T378-T512 WeakPolarHBondContact O-CA 3.34Å; T378-T512 VanDerWaalsContact O-CB 3.23Å; T378-T512 WeakPolarHBondContact O-CB 3.49Å; T378-E513 WeakPolarHBondContact CB-OE2 3.26Å; T378-E513 PolarHBondContact O-N 2.89Å
379	T	98.4	Very high	79.4	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.5	-178	-55.9	0	0	0	0	113.2	C423 K424 N514 L709 L712 C713	T379-C423 CarbonylContact O-C 3.57Å; T379-C423 WeakPolarHBondContact O-CA 3.33Å; T379-K424 PolarHBondContact O-N 3.37Å; T379-N514 WeakPolarHBondContact CA-OD1 3.24Å; T379-N514 VanDerWaalsContact CB-OD1 3.29Å; T379-N514 WeakPolarHBondContact CB-OD1 3.28Å; T379-N514 VanDerWaalsContact CG2-OD1 3.26Å; T379-N514 WeakPolarHBondContact CG2-OD1 3.04Å; T379-N514 PolarHBondContact OG1-OD1 3.34Å; T379-L709 HydrophobicContact CG2-CD2 4.4Å; T379-L712 HydrophobicContact CG2-CB 3.73Å; T379-L712 HydrophobicContact CG2-CD1 4.39Å; T379-L712 PolarHBondContact OG1-O 2.89Å; T379-C713 WeakPolarHBondContact OG1-CA 3.42Å; T379-C713 PolarHBondContact OG1-N 3.2Å; T379-C713 PolarHBondContact OG1-SG 2.78Å
380	G	98.4	Very high	82	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141	172.5	0	0	0	0	0	113.3	K424 N514 G515 F516	G380-K424 CarbonylContact C-O 3.58Å; G380-K424 WeakPolarHBondContact CA-O 3.5Å; G380-N514 PolarHBondContact N-O 2.84Å; G380-G515 CarbonylContact O-C 3.56Å; G380-G515 WeakPolarHBondContact O-CA 3.12Å; G380-F516 PolarHBondContact O-N 2.72Å
381	V	98.6	Very high	84.5	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.4	168.8	68.6	0	0	0	0	110.1	W411 L420 C423 K424 K425 I426 F516 I518	V381-W411 HydrophobicContact CG1-CH2 4.46Å; V381-W411 HydrophobicContact CG2-CZ3 4.04Å; V381-L420 HydrophobicContact CG1-CD2 4.15Å; V381-L420 HydrophobicContact CG2-CD2 4.24Å; V381-C423 HydrophobicContact CB-CB 4.12Å; V381-C423 HydrophobicContact CG1-CB 3.63Å; V381-K424 PolarHBondContact N-O 2.92Å; V381-K425 HydrophobicContact CG1-CG 4.08Å; V381-K425 WeakPolarHBondContact O-CA 3.38Å; V381-I426 PolarHBondContact O-N 3.03Å; V381-F516 WeakPolarHBondContact CA-O 3.18Å; V381-I518 HydrophobicContact CG2-CD1 3.91Å; V381-I518 HydrophobicContact CG2-CG1 4.46Å
382	V	98.6	Very high	86.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.1	175.7	64.3	0	0	0	0	110.7	I426 C499 L503 F516 A517 I518	V382-I426 HydrophobicContact CB-CB 4.29Å; V382-I426 WeakPolarHBondContact CG2-O 3.3Å; V382-C499 HydrophobicContact CB-CB 4.44Å; V382-C499 HydrophobicContact CG1-CB 3.97Å; V382-C499 HydrophobicContact CG2-CB 3.54Å; V382-C499 VanDerWaalsContact CG2-SG 3.6Å; V382-L503 HydrophobicContact CG1-CB 3.97Å; V382-L503 HydrophobicContact CG1-CD2 3.95Å; V382-L503 HydrophobicContact CG1-CG 4.5Å; V382-F516 PolarHBondContact N-O 3.1Å; V382-F516 VanDerWaalsContact N-O 3.09Å; V382-A517 HydrophobicContact CG1-CB 3.59Å; V382-I518 PolarHBondContact O-N 3.24Å
383	F	98.1	Very high	88.4	Confident	36 Å²	36	48.3 Å²	48.3	16%	0.158	27%	0.269	C	S	.	.			trans	-155	142	177.8	168.8	-98.3	0	0	0	108.4	L385 I407 W411 I518	F383-L385 HydrophobicContact CE1-CB 4.4Å; F383-L385 HydrophobicContact CZ-CD1 4.26Å; F383-I407 HydrophobicContact CE2-CB 4Å; F383-I407 HydrophobicContact CE2-CD1 3.8Å; F383-I407 HydrophobicContact CE2-CG1 4.06Å; F383-W411 HydrophobicContact CB-CD2 3.99Å; F383-W411 HydrophobicContact CB-CE3 3.36Å; F383-W411 HydrophobicContact CB-CH2 3.86Å; F383-W411 HydrophobicContact CB-CZ2 4.43Å; F383-W411 HydrophobicContact CB-CZ3 3.29Å; F383-W411 HydrophobicContact CD1-CB 4.39Å; F383-W411 AromaticContact CD1-CD2 3.44Å; F383-W411 HydrophobicContact CD1-CD2 3.44Å; F383-W411 VanDerWaalsContact CD1-CD2 3.44Å; F383-W411 AromaticContact CD1-CE2 3.66Å; F383-W411 AromaticContact CD1-CE3 3.77Å; F383-W411 HydrophobicContact CD1-CE3 3.77Å; F383-W411 AromaticContact CD1-CG 3.74Å; F383-W411 HydrophobicContact CD1-CG 3.74Å; F383-W411 HydrophobicContact CD1-CH2 4.4Å; F383-W411 HydrophobicContact CD1-CZ2 4.13Å; F383-W411 HydrophobicContact CD1-CZ3 4.25Å; F383-W411 HydrophobicContact CD2-CB 4.18Å; F383-W411 HydrophobicContact CD2-CD2 4.23Å; F383-W411 HydrophobicContact CD2-CE3 4.04Å; F383-W411 HydrophobicContact CD2-CG 4.32Å; F383-W411 HydrophobicContact CE1-CB 4.11Å; F383-W411 AromaticContact CE1-CD1 3.83Å; F383-W411 AromaticContact CE1-CD2 3.91Å; F383-W411 HydrophobicContact CE1-CD2 3.91Å; F383-W411 AromaticContact CE1-CG 3.67Å; F383-W411 HydrophobicContact CE1-CG 3.67Å; F383-W411 HydrophobicContact CE2-CB 3.88Å; F383-W411 HydrophobicContact CE2-CG 4.25Å; F383-W411 HydrophobicContact CG-CB 4.42Å; F383-W411 AromaticContact CG-CD2 3.62Å; F383-W411 HydrophobicContact CG-CD2 3.62Å; F383-W411 AromaticContact CG-CE3 3.45Å; F383-W411 HydrophobicContact CG-CE3 3.45Å; F383-W411 VanDerWaalsContact CG-CE3 3.45Å; F383-W411 HydrophobicContact CG-CG 4.07Å; F383-W411 HydrophobicContact CG-CH2 4.45Å; F383-W411 AromaticContact CG-CZ3 3.91Å; F383-W411 HydrophobicContact CG-CZ3 3.91Å; F383-W411 HydrophobicContact CZ-CB 3.85Å; F383-W411 HydrophobicContact CZ-CD2 4.47Å; F383-W411 AromaticContact CZ-CG 3.94Å; F383-W411 HydrophobicContact CZ-CG 3.94Å; F383-I518 HydrophobicContact CB-CB 4.43Å; F383-I518 HydrophobicContact CD2-CB 4.27Å; F383-I518 HydrophobicContact CD2-CG2 4.02Å
384	D	97.8	Very high	90	Very high	48 Å²	48	45.9 Å²	45.9	26%	0.257	25%	0.248	S	C	.	.			trans	-140.9	129	173.5	-166.3	-67	0	0	0	110.3	S386 M387 M495	D384-S386 PolarHBondContact O-N 2.94Å; D384-S386 WeakPolarHBondContact OD1-CB 3.33Å; D384-S386 PolarHBondContact OD1-N 2.96Å; D384-S386 PolarHBondContact OD1-OG 3.34Å; D384-M387 HydrophobicContact CB-CE 4.06Å; D384-M387 VanDerWaalsContact N-CE 3.32Å; D384-M387 WeakPolarHBondContact O-CB 3.4Å; D384-M387 WeakPolarHBondContact O-CE 3.36Å; D384-M387 PolarHBondContact O-N 2.94Å; D384-M495 HydrophobicContact CB-CE 3.77Å; D384-M495 VanDerWaalsContact CG-CE 3.42Å; D384-M495 VanDerWaalsContact OD2-CE 3.3Å; D384-M495 WeakPolarHBondContact OD2-CE 3.26Å
385	L	96.8	Very high	91	Very high	101 Å²	101	45 Å²	45	53%	0.529	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.5	-22.4	-175.8	-172.3	62.3	0	0	0	112.8	F383 M387 A388 K408	F383-L385 HydrophobicContact CE1-CB 4.4Å; F383-L385 HydrophobicContact CZ-CD1 4.26Å; L385-M387 PolarHBondContact O-N 3.12Å; L385-A388 HydrophobicContact CD1-CB 4.23Å; L385-A388 VanDerWaalsContact O-CB 3.29Å; L385-A388 WeakPolarHBondContact O-CB 3.22Å; L385-A388 PolarHBondContact O-N 3.34Å; L385-K408 HydrophobicContact CD1-CD 4.46Å; L385-K408 HydrophobicContact CD1-CG 3.84Å
386	S	96.4	Very high	91.7	Very high	14 Å²	14	46.5 Å²	46.5	10%	0.098	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-61.2	-28.9	177	63.1	0	0	0	0	112.6	D384 A388 R389 S492 M495	D384-S386 PolarHBondContact O-N 2.94Å; D384-S386 WeakPolarHBondContact OD1-CB 3.33Å; D384-S386 PolarHBondContact OD1-N 2.96Å; D384-S386 PolarHBondContact OD1-OG 3.34Å; S386-A388 PolarHBondContact O-N 3.09Å; S386-R389 VanDerWaalsContact O-CB 3.27Å; S386-R389 WeakPolarHBondContact O-CB 3.44Å; S386-R389 WeakPolarHBondContact O-CG 3.24Å; S386-R389 PolarHBondContact O-N 3.26Å; S386-S492 PolarHBondContact O-OG 3.12Å; S386-M495 WeakPolarHBondContact OG-CG 3.33Å
387	M	98.1	Very high	90.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.2	-24.7	173.3	-70.1	-174.1	-70.1	0	0	112.9	D384 L385 R389 I407 M495 A496 I518 V519 R520	D384-M387 HydrophobicContact CB-CE 4.06Å; D384-M387 VanDerWaalsContact N-CE 3.32Å; D384-M387 WeakPolarHBondContact O-CB 3.4Å; D384-M387 WeakPolarHBondContact O-CE 3.36Å; D384-M387 PolarHBondContact O-N 2.94Å; L385-M387 PolarHBondContact O-N 3.12Å; M387-R389 PolarHBondContact O-N 3.04Å; M387-I407 HydrophobicContact CB-CD1 3.78Å; M387-M495 HydrophobicContact CG-CB 3.71Å; M387-M495 HydrophobicContact SD-CB 4.46Å; M387-A496 VanDerWaalsContact SD-CA 3.59Å; M387-A496 HydrophobicContact SD-CB 3.99Å; M387-I518 WeakPolarHBondContact CE-O 3.31Å; M387-V519 HydrophobicContact CE-CB 4.32Å; M387-V519 HydrophobicContact CE-CG1 4.04Å; M387-V519 HydrophobicContact SD-CB 3.79Å; M387-V519 HydrophobicContact SD-CG1 3.86Å; M387-R520 HydrophobicContact CB-CG 3.92Å; M387-R520 VanDerWaalsContact CB-O 3.28Å; M387-R520 WeakPolarHBondContact CB-O 3.35Å; M387-R520 WeakPolarHBondContact CG-O 3.38Å; M387-R520 WeakPolarHBondContact O-CG 3.34Å; M387-R520 PolarHBondContact O-NH1 3.06Å; M387-R520 PolarHBondContact SD-N 2.76Å
388	A	96	Very high	89.7	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.025	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-75.2	-12.9	176.8	0	0	0	0	0	113	L385 S386 H390 I407 K408 R520	L385-A388 HydrophobicContact CD1-CB 4.23Å; L385-A388 VanDerWaalsContact O-CB 3.29Å; L385-A388 WeakPolarHBondContact O-CB 3.22Å; L385-A388 PolarHBondContact O-N 3.34Å; S386-A388 PolarHBondContact O-N 3.09Å; A388-H390 VanDerWaalsContact C-N 3.31Å; A388-I407 HydrophobicContact CB-CD1 4.08Å; A388-I407 HydrophobicContact CB-CG1 4.32Å; A388-K408 HydrophobicContact CB-CD 4.16Å; A388-K408 HydrophobicContact CB-CG 4.12Å; A388-R520 PolarHBondContact O-NH1 2.91Å
389	R	95.1	Very high	88.9	Confident	128 Å²	128	56.6 Å²	56.6	48%	0.483	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-75.4	-18.6	-179.8	-60.9	-179.7	179	-179.6	-1.9	113.4	S386 M387 E391 E488	S386-R389 VanDerWaalsContact O-CB 3.27Å; S386-R389 WeakPolarHBondContact O-CB 3.44Å; S386-R389 WeakPolarHBondContact O-CG 3.24Å; S386-R389 PolarHBondContact O-N 3.26Å; M387-R389 PolarHBondContact O-N 3.04Å; R389-E391 VanDerWaalsContact C-N 3.33Å; R389-E391 PolarHBondContact O-N 3.17Å; R389-E488 HydrophobicContact CB-CB 4.05Å; R389-E488 HydrophobicContact CB-CG 3.96Å; R389-E488 WeakPolarHBondContact CB-OE2 3.13Å; R389-E488 WeakPolarHBondContact CD-OE2 3.37Å; R389-E488 VanDerWaalsContact O-CB 3.3Å; R389-E488 WeakPolarHBondContact O-CB 3.35Å
390	H	95.5	Very high	88.4	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.293	C	S	.	.			trans	-65.2	94.8	167.8	176.1	64.5	0	0	0	110	A388 Y483 T489 S492 R520 F536	A388-H390 VanDerWaalsContact C-N 3.31Å; H390-Y483 AromaticContact CD2-CE2 3.55Å; H390-Y483 AromaticContact CD2-CZ 3.72Å; H390-Y483 PolarHBondContact CD2-OH 2.93Å; H390-Y483 AromaticContact CE1-CD2 3.63Å; H390-Y483 AromaticContact CE1-CE2 3.29Å; H390-Y483 WeakPolarHBondContact CE1-CE2 3.43Å; H390-Y483 PolarHBondContact CE1-O 3.39Å; H390-Y483 VanDerWaalsContact CE1-O 3.27Å; H390-Y483 AromaticContact CG-CE2 3.88Å; H390-Y483 AromaticContact ND1-CE2 3.7Å; H390-Y483 AromaticContact NE2-CD2 3.79Å; H390-Y483 AromaticContact NE2-CE2 3.18Å; H390-Y483 WeakPolarHBondContact NE2-CE2 3.4Å; H390-Y483 AromaticContact NE2-CZ 3.56Å; H390-Y483 PolarHBondContact O-OH 3.28Å; H390-T489 PolarHBondContact CE1-OG1 2.85Å; H390-T489 WeakPolarHBondContact ND1-CB 3.21Å; H390-T489 WeakPolarHBondContact ND1-CG2 3.34Å; H390-T489 PolarHBondContact ND1-OG1 3.36Å; H390-S492 WeakPolarHBondContact CB-OG 3.37Å; H390-S492 PolarHBondContact N-OG 2.95Å; H390-R520 PolarHBondContact O-NH1 2.76Å; H390-R520 PolarHBondContact O-NH2 2.81Å; H390-F536 AromaticContact CE1-CE2 3.61Å; H390-F536 AromaticContact CE1-CZ 3.99Å; H390-F536 AromaticContact NE2-CE2 3.64Å
391	E	92.8	Very high	88.1	Confident	73 Å²	73	61.6 Å²	61.6	34%	0.341	31%	0.31	S	S	.	.			trans	-129.8	149.9	178.1	-64.9	-173.6	178.1	0	0	110.5	R389 N485	R389-E391 VanDerWaalsContact C-N 3.33Å; R389-E391 PolarHBondContact O-N 3.17Å; E391-N485 WeakPolarHBondContact O-CB 3.24Å; E391-N485 PolarHBondContact O-ND2 2.8Å; E391-N485 VanDerWaalsContact O-ND2 3.15Å
392	C	91.4	Very high	87.9	Confident	19 Å²	19	61.5 Å²	61.5	13%	0.128	31%	0.31	C	S	.	.			trans	-71.2	130.8	174.6	-173.9	0	0	0	0	110.9	C394 H400 Y483	C392-C394 VanDerWaalsContact C-N 3.26Å; C392-C394 PolarHBondContact O-N 3.34Å; C392-C394 VanDerWaalsContact SG-SG 3.6Å; C392-H400 VanDerWaalsContact CB-NE2 3.28Å; C392-H400 WeakPolarHBondContact CB-NE2 3.47Å; C392-H400 PolarHBondContact SG-NE2 3.42Å; C392-Y483 HydrophobicContact CB-CD1 3.96Å; C392-Y483 HydrophobicContact CB-CD2 3.74Å; C392-Y483 HydrophobicContact CB-CE1 4.4Å; C392-Y483 HydrophobicContact CB-CE2 4.22Å; C392-Y483 HydrophobicContact CB-CG 3.59Å
393	I	84.2	Confident	87.7	Confident	90 Å²	90	63.8 Å²	63.8	46%	0.462	32%	0.322	S	S	.	.			trans	-86.2	67.9	175.1	-48.8	169.5	0	0	0	109.2	L342 N485	L342-I393 HydrophobicContact CD1-CD1 4.31Å; L342-I393 HydrophobicContact CD1-CG2 3.99Å; I393-N485 HydrophobicContact CD1-CB 4.19Å; I393-N485 WeakPolarHBondContact CD1-OD1 3.21Å; I393-N485 HydrophobicContact CG1-CB 4.24Å
394	C	85.6	Confident	87.5	Confident	18 Å²	18	62.1 Å²	62.1	12%	0.122	32%	0.315	C	S	.	.			trans	-112.2	144	177.1	52.6	0	0	0	0	111.3	C392 I396 C473	C392-C394 VanDerWaalsContact C-N 3.26Å; C392-C394 PolarHBondContact O-N 3.34Å; C392-C394 VanDerWaalsContact SG-SG 3.6Å; C394-I396 PolarHBondContact SG-O 2.88Å; C394-C473 HydrophobicContact CB-CB 3.79Å; C394-C473 WeakPolarHBondContact CB-O 3.41Å; C394-C473 VanDerWaalsContact CB-SG 3.54Å
395	P	75.2	Confident	87.3	Confident	118 Å²	118	64.8 Å²	64.8	77%	0.766	33%	0.326	S	S	*	.	S	Bend	trans	-70.8	-35.6	179.3	26.1	-32.5	0	0	0	112.2
396	I	73.8	Confident	87.3	Confident	112 Å²	112	60 Å²	60	57%	0.574	30%	0.3	S	S	*	.	S	Bend	trans	-90.5	106.7	168	-52.2	171.3	0	0	0	103.5	C394 V398	C394-I396 PolarHBondContact SG-O 2.88Å; I396-V398 HydrophobicContact CB-CG2 3.98Å; I396-V398 HydrophobicContact CG2-CG2 3.54Å; I396-V398 PolarHBondContact O-N 2.91Å
397	K	61.9	Low	87.3	Confident	170 Å²	170	59.3 Å²	59.3	74%	0.739	30%	0.296	S	S	*	.			trans	-65.3	68.9	163.4	-68.6	-168.4	177.3	-161.5	0	107.7	Q399	K397-Q399 PolarHBondContact O-N 2.79Å
398	V	59.7	Low	87.3	Confident	71 Å²	71	62.1 Å²	62.1	43%	0.43	31%	0.308	S	S	.	.			trans	-51.8	139	164.5	176	0	0	0	0	105	I396 H400 C473	I396-V398 HydrophobicContact CB-CG2 3.98Å; I396-V398 HydrophobicContact CG2-CG2 3.54Å; I396-V398 PolarHBondContact O-N 2.91Å; V398-H400 PolarHBondContact O-CD2 2.92Å; V398-H400 PolarHBondContact O-N 2.95Å; V398-C473 HydrophobicContact CB-CB 3.8Å; V398-C473 HydrophobicContact CG2-CB 3.48Å; V398-C473 VanDerWaalsContact CG2-CB 3.48Å
399	Q	74.6	Confident	87.4	Confident	184 Å²	184	63.5 Å²	63.5	86%	0.86	32%	0.319	S	S	*	.			trans	-66.3	79.3	177.3	-70.3	175.3	-13	0	0	108.5	K397 I401	K397-Q399 PolarHBondContact O-N 2.79Å; Q399-I401 PolarHBondContact O-N 3.42Å
400	H	89	Confident	87.6	Confident	37 Å²	37	57.4 Å²	57.4	17%	0.171	30%	0.296	C	S	.	.			trans	-55.5	122.1	164.5	-72.9	-82.4	0	0	0	106.9	C392 V398 E402 N403 C473 Y483	C392-H400 VanDerWaalsContact CB-NE2 3.28Å; C392-H400 WeakPolarHBondContact CB-NE2 3.47Å; C392-H400 PolarHBondContact SG-NE2 3.42Å; V398-H400 PolarHBondContact O-CD2 2.92Å; V398-H400 PolarHBondContact O-N 2.95Å; H400-E402 VanDerWaalsContact C-N 3.27Å; H400-E402 WeakPolarHBondContact CB-O 3.43Å; H400-E402 PolarHBondContact O-N 3.29Å; H400-N403 PolarHBondContact O-ND2 3.19Å; H400-C473 VanDerWaalsContact CE1-SG 3.56Å; H400-C473 PolarHBondContact NE2-SG 3.45Å; H400-Y483 HydrophobicContact CB-CE1 4.28Å; H400-Y483 AromaticContact ND1-CD1 3.69Å
401	I	91.4	Very high	87.7	Confident	68 Å²	68	59 Å²	59	35%	0.349	30%	0.302	S	S	.	.	S	Bend	trans	-62.8	-40.2	-178.6	63.5	175	0	0	0	110.2	Q399 N403 F534 I663 Y696	Q399-I401 PolarHBondContact O-N 3.42Å; I401-N403 PolarHBondContact O-ND2 3.5Å; I401-F534 HydrophobicContact CD1-CE2 4.22Å; I401-F534 HydrophobicContact CD1-CZ 3.93Å; I401-F534 HydrophobicContact CG1-CE2 4.36Å; I401-F534 HydrophobicContact CG1-CZ 3.89Å; I401-I663 HydrophobicContact CD1-CD1 3.5Å; I401-I663 HydrophobicContact CD1-CG1 4.39Å; I401-Y696 HydrophobicContact CB-CD1 4.3Å; I401-Y696 HydrophobicContact CB-CG 4.15Å; I401-Y696 HydrophobicContact CD1-CD2 4.12Å; I401-Y696 HydrophobicContact CD1-CE2 4.45Å; I401-Y696 HydrophobicContact CD1-CG 4.18Å; I401-Y696 HydrophobicContact CG1-CD1 4.2Å; I401-Y696 HydrophobicContact CG1-CG 4.19Å; I401-Y696 WeakPolarHBondContact O-CD1 3.34Å
402	E	94.3	Very high	88	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-84.4	115.3	166.8	-152.7	-65.4	130	0	0	108.6	H400 R406 Y483 R520 F534 Y696	H400-E402 VanDerWaalsContact C-N 3.27Å; H400-E402 WeakPolarHBondContact CB-O 3.43Å; H400-E402 PolarHBondContact O-N 3.29Å; E402-R406 IonicContact OE1-NH2 2.76Å; E402-Y483 WeakPolarHBondContact O-CE1 3.39Å; E402-Y483 PolarHBondContact OE2-OH 3.41Å; E402-R520 VanDerWaalsContact CD-NH2 3.35Å; E402-R520 IonicContact OE1-CZ 3.51Å; E402-R520 IonicContact OE1-NE 3.68Å; E402-R520 PolarHBondContact OE1-NE 3.13Å; E402-R520 IonicContact OE1-NH2 3.26Å; E402-R520 PolarHBondContact OE1-NH2 2.94Å; E402-R520 IonicContact OE2-CZ 3.93Å; E402-R520 IonicContact OE2-NE 3.14Å; E402-R520 IonicContact OE2-NH2 3.09Å; E402-R520 PolarHBondContact OE2-NH2 2.95Å; E402-F534 HydrophobicContact CB-CB 4.27Å; E402-F534 HydrophobicContact CB-CD1 3.8Å; E402-F534 HydrophobicContact CB-CD2 4.05Å; E402-F534 HydrophobicContact CB-CE1 4.14Å; E402-F534 HydrophobicContact CB-CE2 4.35Å; E402-F534 HydrophobicContact CB-CG 3.75Å; E402-F534 HydrophobicContact CB-CZ 4.4Å; E402-F534 HydrophobicContact CG-CB 3.9Å; E402-F534 HydrophobicContact CG-CD1 4.38Å; E402-F534 HydrophobicContact CG-CD2 4.22Å; E402-F534 HydrophobicContact CG-CG 3.9Å; E402-Y696 HydrophobicContact CB-CD1 4.35Å; E402-Y696 HydrophobicContact CB-CE1 3.88Å; E402-Y696 HydrophobicContact CG-CE1 3.9Å
403	N	93.6	Very high	88.3	Confident	47 Å²	47	60.3 Å²	60.3	25%	0.251	31%	0.309	S	S	.	.			trans	-155.4	163.8	-179.6	67.4	72.5	0	0	0	111.6	H400 I401 E405 R406 R520	H400-N403 PolarHBondContact O-ND2 3.19Å; I401-N403 PolarHBondContact O-ND2 3.5Å; N403-E405 VanDerWaalsContact C-N 3.27Å; N403-E405 PolarHBondContact O-N 2.78Å; N403-E405 WeakPolarHBondContact OD1-CA 3.27Å; N403-E405 VanDerWaalsContact OD1-CB 3.26Å; N403-E405 WeakPolarHBondContact OD1-CB 3.32Å; N403-E405 PolarHBondContact OD1-N 3.28Å; N403-R406 VanDerWaalsContact O-CB 3.28Å; N403-R406 WeakPolarHBondContact O-CB 3.29Å; N403-R406 PolarHBondContact O-N 2.82Å; N403-R406 PolarHBondContact OD1-N 3.09Å; N403-R520 PolarHBondContact O-NE 3.47Å
404	G	94.3	Very high	89	Confident	1 Å²	1	56 Å²	56	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-23.2	-176.3	0	0	0	0	0	115	R406 K408 R520	G404-R406 PolarHBondContact O-N 2.79Å; G404-K408 WeakPolarHBondContact O-CD 3.36Å; G404-K408 WeakPolarHBondContact O-CG 3.24Å; G404-K408 PolarHBondContact O-N 3.22Å; G404-R520 VanDerWaalsContact CA-CZ 3.47Å; G404-R520 VanDerWaalsContact N-CZ 3.31Å
405	E	93.6	Very high	89.6	Confident	105 Å²	105	60 Å²	60	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-67.9	-25.4	176.6	-61.2	-56.4	127.1	0	0	111.9	N403 I407 K408 A409	N403-E405 VanDerWaalsContact C-N 3.27Å; N403-E405 PolarHBondContact O-N 2.78Å; N403-E405 WeakPolarHBondContact OD1-CA 3.27Å; N403-E405 VanDerWaalsContact OD1-CB 3.26Å; N403-E405 WeakPolarHBondContact OD1-CB 3.32Å; N403-E405 PolarHBondContact OD1-N 3.28Å; E405-I407 PolarHBondContact O-N 2.87Å; E405-K408 PolarHBondContact O-N 2.8Å; E405-K408 VanDerWaalsContact OE1-CD 3.24Å; E405-K408 WeakPolarHBondContact OE1-CD 3.33Å; E405-K408 IonicContact OE1-NZ 3.9Å; E405-K408 PolarHBondContact OE1-NZ 3.37Å; E405-A409 WeakPolarHBondContact O-CB 3.43Å; E405-A409 PolarHBondContact O-N 2.9Å
406	R	96.3	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-53.6	-56.9	176.7	-176.3	166.5	68.2	127.8	3.3	112.1	E402 N403 G404 A409 I410 E693 G694 G695	E402-R406 IonicContact OE1-NH2 2.76Å; N403-R406 VanDerWaalsContact O-CB 3.28Å; N403-R406 WeakPolarHBondContact O-CB 3.29Å; N403-R406 PolarHBondContact O-N 2.82Å; N403-R406 PolarHBondContact OD1-N 3.09Å; G404-R406 PolarHBondContact O-N 2.79Å; R406-A409 PolarHBondContact O-N 2.93Å; R406-I410 HydrophobicContact CG-CD1 4.19Å; R406-I410 WeakPolarHBondContact O-CD1 3.47Å; R406-I410 VanDerWaalsContact O-CG1 3.26Å; R406-I410 WeakPolarHBondContact O-CG1 3.4Å; R406-I410 PolarHBondContact O-N 2.78Å; R406-I410 VanDerWaalsContact O-N 3.08Å; R406-E693 PolarHBondContact NH1-O 2.73Å; R406-E693 PolarHBondContact NH2-O 2.95Å; R406-E693 VanDerWaalsContact NH2-O 3.15Å; R406-G694 PolarHBondContact NH1-O 2.79Å; R406-G695 WeakPolarHBondContact CD-O 3.36Å; R406-G695 PolarHBondContact NH1-O 3.36Å
407	I	97.9	Very high	91.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73	-30.6	-179	62.4	160.5	0	0	0	112.7	F383 M387 A388 E405 W411 I518 R520 L692	F383-I407 HydrophobicContact CE2-CB 4Å; F383-I407 HydrophobicContact CE2-CD1 3.8Å; F383-I407 HydrophobicContact CE2-CG1 4.06Å; M387-I407 HydrophobicContact CB-CD1 3.78Å; A388-I407 HydrophobicContact CB-CD1 4.08Å; A388-I407 HydrophobicContact CB-CG1 4.32Å; E405-I407 PolarHBondContact O-N 2.87Å; I407-W411 WeakPolarHBondContact O-CB 3.3Å; I407-W411 PolarHBondContact O-N 3.5Å; I407-I518 HydrophobicContact CB-CG2 4.34Å; I407-I518 HydrophobicContact CG2-CG2 4.35Å; I407-R520 HydrophobicContact CD1-CG 3.65Å; I407-R520 HydrophobicContact CG1-CG 4.06Å; I407-R520 HydrophobicContact CG2-CB 4Å; I407-R520 HydrophobicContact CG2-CG 3.89Å; I407-L692 HydrophobicContact CG2-CD2 3.95Å
408	K	97.9	Very high	93.2	Very high	59 Å²	59	54.9 Å²	54.9	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-43.2	175.2	-72.4	165.4	171.6	161.5	0	110.7	L385 A388 G404 E405 W411 S412	L385-K408 HydrophobicContact CD1-CD 4.46Å; L385-K408 HydrophobicContact CD1-CG 3.84Å; A388-K408 HydrophobicContact CB-CD 4.16Å; A388-K408 HydrophobicContact CB-CG 4.12Å; G404-K408 WeakPolarHBondContact O-CD 3.36Å; G404-K408 WeakPolarHBondContact O-CG 3.24Å; G404-K408 PolarHBondContact O-N 3.22Å; E405-K408 PolarHBondContact O-N 2.8Å; E405-K408 VanDerWaalsContact OE1-CD 3.24Å; E405-K408 WeakPolarHBondContact OE1-CD 3.33Å; E405-K408 IonicContact OE1-NZ 3.9Å; E405-K408 PolarHBondContact OE1-NZ 3.37Å; K408-W411 PolarHBondContact O-N 3.38Å; K408-S412 VanDerWaalsContact O-CB 3.31Å; K408-S412 WeakPolarHBondContact O-CB 3.33Å; K408-S412 PolarHBondContact O-N 3.49Å
409	A	98	Very high	95	Very high	32 Å²	32	51.6 Å²	51.6	26%	0.264	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-45.5	178.2	0	0	0	0	0	111.5	E405 R406 W411 S412 Y413 V698	E405-A409 WeakPolarHBondContact O-CB 3.43Å; E405-A409 PolarHBondContact O-N 2.9Å; R406-A409 PolarHBondContact O-N 2.93Å; A409-W411 PolarHBondContact O-N 2.95Å; A409-S412 PolarHBondContact O-N 3.48Å; A409-Y413 WeakPolarHBondContact O-CB 3.32Å; A409-Y413 PolarHBondContact O-N 3.23Å; A409-V698 HydrophobicContact CB-CG1 3.37Å
410	I	98.6	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.7	-53.2	173.5	-66.5	163.2	0	0	0	109.8	R406 S412 Y413 L414 I518 L692 V701 V705	R406-I410 HydrophobicContact CG-CD1 4.19Å; R406-I410 WeakPolarHBondContact O-CD1 3.47Å; R406-I410 VanDerWaalsContact O-CG1 3.26Å; R406-I410 WeakPolarHBondContact O-CG1 3.4Å; R406-I410 PolarHBondContact O-N 2.78Å; R406-I410 VanDerWaalsContact O-N 3.08Å; I410-S412 PolarHBondContact O-N 3.23Å; I410-Y413 PolarHBondContact O-N 3.25Å; I410-L414 HydrophobicContact CG2-CD1 3.82Å; I410-L414 HydrophobicContact CG2-CG 4.32Å; I410-L414 VanDerWaalsContact O-CG 3.24Å; I410-L414 WeakPolarHBondContact O-CG 3.3Å; I410-L414 PolarHBondContact O-N 3.44Å; I410-I518 HydrophobicContact CB-CG2 4.43Å; I410-I518 HydrophobicContact CG2-CD1 4.27Å; I410-I518 HydrophobicContact CG2-CG2 3.96Å; I410-L692 HydrophobicContact CD1-CD2 3.72Å; I410-V701 HydrophobicContact CD1-CG1 3.59Å; I410-V701 HydrophobicContact CG1-CG1 4.09Å; I410-V705 HydrophobicContact CG2-CB 4.19Å; I410-V705 HydrophobicContact CG2-CG1 3.88Å; I410-V705 HydrophobicContact CG2-CG2 4.24Å
411	W	98.3	Very high	96.3	Very high	35 Å²	35	46.3 Å²	46.3	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-45.8	-179.3	-171.5	-101.3	0	0	0	112.6	V381 F383 I407 K408 A409 Y413 L414 Q415 L420 I518	V381-W411 HydrophobicContact CG1-CH2 4.46Å; V381-W411 HydrophobicContact CG2-CZ3 4.04Å; F383-W411 HydrophobicContact CB-CD2 3.99Å; F383-W411 HydrophobicContact CB-CE3 3.36Å; F383-W411 HydrophobicContact CB-CH2 3.86Å; F383-W411 HydrophobicContact CB-CZ2 4.43Å; F383-W411 HydrophobicContact CB-CZ3 3.29Å; F383-W411 HydrophobicContact CD1-CB 4.39Å; F383-W411 AromaticContact CD1-CD2 3.44Å; F383-W411 HydrophobicContact CD1-CD2 3.44Å; F383-W411 VanDerWaalsContact CD1-CD2 3.44Å; F383-W411 AromaticContact CD1-CE2 3.66Å; F383-W411 AromaticContact CD1-CE3 3.77Å; F383-W411 HydrophobicContact CD1-CE3 3.77Å; F383-W411 AromaticContact CD1-CG 3.74Å; F383-W411 HydrophobicContact CD1-CG 3.74Å; F383-W411 HydrophobicContact CD1-CH2 4.4Å; F383-W411 HydrophobicContact CD1-CZ2 4.13Å; F383-W411 HydrophobicContact CD1-CZ3 4.25Å; F383-W411 HydrophobicContact CD2-CB 4.18Å; F383-W411 HydrophobicContact CD2-CD2 4.23Å; F383-W411 HydrophobicContact CD2-CE3 4.04Å; F383-W411 HydrophobicContact CD2-CG 4.32Å; F383-W411 HydrophobicContact CE1-CB 4.11Å; F383-W411 AromaticContact CE1-CD1 3.83Å; F383-W411 AromaticContact CE1-CD2 3.91Å; F383-W411 HydrophobicContact CE1-CD2 3.91Å; F383-W411 AromaticContact CE1-CG 3.67Å; F383-W411 HydrophobicContact CE1-CG 3.67Å; F383-W411 HydrophobicContact CE2-CB 3.88Å; F383-W411 HydrophobicContact CE2-CG 4.25Å; F383-W411 HydrophobicContact CG-CB 4.42Å; F383-W411 AromaticContact CG-CD2 3.62Å; F383-W411 HydrophobicContact CG-CD2 3.62Å; F383-W411 AromaticContact CG-CE3 3.45Å; F383-W411 HydrophobicContact CG-CE3 3.45Å; F383-W411 VanDerWaalsContact CG-CE3 3.45Å; F383-W411 HydrophobicContact CG-CG 4.07Å; F383-W411 HydrophobicContact CG-CH2 4.45Å; F383-W411 AromaticContact CG-CZ3 3.91Å; F383-W411 HydrophobicContact CG-CZ3 3.91Å; F383-W411 HydrophobicContact CZ-CB 3.85Å; F383-W411 HydrophobicContact CZ-CD2 4.47Å; F383-W411 AromaticContact CZ-CG 3.94Å; F383-W411 HydrophobicContact CZ-CG 3.94Å; I407-W411 WeakPolarHBondContact O-CB 3.3Å; I407-W411 PolarHBondContact O-N 3.5Å; K408-W411 PolarHBondContact O-N 3.38Å; A409-W411 PolarHBondContact O-N 2.95Å; W411-Y413 VanDerWaalsContact C-N 3.34Å; W411-Y413 PolarHBondContact O-N 3.4Å; W411-L414 PolarHBondContact O-N 3.08Å; W411-Q415 WeakPolarHBondContact O-CG 3.38Å; W411-Q415 PolarHBondContact O-N 3.22Å; W411-L420 HydrophobicContact CD2-CD1 4.2Å; W411-L420 HydrophobicContact CE3-CD1 4.21Å; W411-L420 HydrophobicContact CH2-CD1 4.07Å; W411-L420 HydrophobicContact CH2-CD2 4.38Å; W411-L420 HydrophobicContact CZ2-CD1 4.04Å; W411-L420 HydrophobicContact CZ3-CD1 4.14Å; W411-L420 HydrophobicContact CZ3-CD2 4.06Å; W411-I518 HydrophobicContact CE3-CD1 3.82Å; W411-I518 HydrophobicContact CZ3-CD1 4.09Å
412	S	98.2	Very high	96.5	Very high	48 Å²	48	47.6 Å²	47.6	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-38.3	177.8	-175.4	0	0	0	0	112.6	K408 A409 I410 K416	K408-S412 VanDerWaalsContact O-CB 3.31Å; K408-S412 WeakPolarHBondContact O-CB 3.33Å; K408-S412 PolarHBondContact O-N 3.49Å; A409-S412 PolarHBondContact O-N 3.48Å; I410-S412 PolarHBondContact O-N 3.23Å; S412-K416 WeakPolarHBondContact O-CG 3.3Å; S412-K416 PolarHBondContact O-N 2.75Å
413	Y	98.6	Very high	96.6	Very high	72 Å²	72	47.7 Å²	47.7	28%	0.282	24%	0.236	S	C	.	.	H	α-helix	trans	-64.2	-49	175.9	178.8	-91.1	0	0	0	110.8	A409 I410 W411 Q415 K416 T417 C702 E706	A409-Y413 WeakPolarHBondContact O-CB 3.32Å; A409-Y413 PolarHBondContact O-N 3.23Å; I410-Y413 PolarHBondContact O-N 3.25Å; W411-Y413 VanDerWaalsContact C-N 3.34Å; W411-Y413 PolarHBondContact O-N 3.4Å; Y413-Q415 VanDerWaalsContact C-N 3.29Å; Y413-Q415 PolarHBondContact O-N 2.92Å; Y413-K416 WeakPolarHBondContact O-CB 3.47Å; Y413-K416 PolarHBondContact O-N 3.09Å; Y413-T417 HydrophobicContact CD1-CG2 4.17Å; Y413-T417 HydrophobicContact CE1-CG2 3.76Å; Y413-T417 WeakPolarHBondContact O-CG2 3.23Å; Y413-T417 PolarHBondContact O-N 3.34Å; Y413-C702 HydrophobicContact CD1-CB 3.67Å; Y413-C702 HydrophobicContact CD2-CB 4.03Å; Y413-C702 HydrophobicContact CE1-CB 4.09Å; Y413-C702 WeakPolarHBondContact CE1-O 3.2Å; Y413-C702 HydrophobicContact CE2-CB 4.42Å; Y413-C702 HydrophobicContact CG-CB 3.65Å; Y413-E706 HydrophobicContact CE1-CB 3.92Å; Y413-E706 HydrophobicContact CE1-CG 4.37Å; Y413-E706 WeakPolarHBondContact CE1-OE2 3.48Å; Y413-E706 VanDerWaalsContact CZ-OE2 3.3Å; Y413-E706 PolarHBondContact OH-OE2 2.95Å
414	L	98.3	Very high	96.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-36.6	178.4	-64.5	172.4	0	0	0	112.5	I410 W411 K416 T417 N418 I419 L420 I518 V705 E706 L709	I410-L414 HydrophobicContact CG2-CD1 3.82Å; I410-L414 HydrophobicContact CG2-CG 4.32Å; I410-L414 VanDerWaalsContact O-CG 3.24Å; I410-L414 WeakPolarHBondContact O-CG 3.3Å; I410-L414 PolarHBondContact O-N 3.44Å; W411-L414 PolarHBondContact O-N 3.08Å; L414-K416 VanDerWaalsContact C-N 3.3Å; L414-K416 PolarHBondContact O-N 3.49Å; L414-T417 PolarHBondContact O-N 3.25Å; L414-T417 PolarHBondContact O-OG1 3.34Å; L414-N418 PolarHBondContact O-N 3.29Å; L414-I419 HydrophobicContact CB-CG2 4.09Å; L414-I419 HydrophobicContact CD2-CG2 3.75Å; L414-I419 HydrophobicContact CG-CG2 4.49Å; L414-L420 HydrophobicContact CB-CD1 3.97Å; L414-L420 HydrophobicContact CB-CD2 4.01Å; L414-L420 HydrophobicContact CB-CG 3.81Å; L414-L420 HydrophobicContact CD1-CD2 4.27Å; L414-I518 HydrophobicContact CD1-CD1 3.45Å; L414-I518 VanDerWaalsContact CD1-CD1 3.45Å; L414-V705 HydrophobicContact CD1-CG1 3.91Å; L414-V705 HydrophobicContact CD2-CG1 4.31Å; L414-E706 HydrophobicContact CD2-CB 3.98Å; L414-L709 HydrophobicContact CD1-CD1 3.59Å; L414-L709 HydrophobicContact CD2-CD1 3.73Å; L414-L709 HydrophobicContact CG-CD1 4.25Å
415	Q	97.4	Very high	96.9	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-40	171.8	-73.6	177.4	-53.8	0	0	112.3	W411 Y413 N418 L420	W411-Q415 WeakPolarHBondContact O-CG 3.38Å; W411-Q415 PolarHBondContact O-N 3.22Å; Y413-Q415 VanDerWaalsContact C-N 3.29Å; Y413-Q415 PolarHBondContact O-N 2.92Å; Q415-N418 PolarHBondContact O-N 3.18Å; Q415-L420 HydrophobicContact CB-CD1 4.39Å; Q415-L420 HydrophobicContact CG-CD1 3.57Å
416	K	97.6	Very high	97	Very high	160 Å²	160	50.5 Å²	50.5	70%	0.696	25%	0.245	S	C	*	.	H	α-helix	trans	-71.4	-28.3	-179.5	-67.4	167.5	-173.9	172.7	0	113.3	S412 Y413 L414 N418	S412-K416 WeakPolarHBondContact O-CG 3.3Å; S412-K416 PolarHBondContact O-N 2.75Å; Y413-K416 WeakPolarHBondContact O-CB 3.47Å; Y413-K416 PolarHBondContact O-N 3.09Å; L414-K416 VanDerWaalsContact C-N 3.3Å; L414-K416 PolarHBondContact O-N 3.49Å; K416-N418 VanDerWaalsContact C-N 3.28Å
417	T	96.3	Very high	96.9	Very high	32 Å²	32	55.6 Å²	55.6	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.5	178.3	66.7	0	0	0	0	113.4	Y413 L414 I419 E706	Y413-T417 HydrophobicContact CD1-CG2 4.17Å; Y413-T417 HydrophobicContact CE1-CG2 3.76Å; Y413-T417 WeakPolarHBondContact O-CG2 3.23Å; Y413-T417 PolarHBondContact O-N 3.34Å; L414-T417 PolarHBondContact O-N 3.25Å; L414-T417 PolarHBondContact O-OG1 3.34Å; T417-I419 PolarHBondContact O-N 2.99Å; T417-I419 VanDerWaalsContact O-N 3.14Å; T417-I419 VanDerWaalsContact OG1-CG2 3.24Å; T417-I419 WeakPolarHBondContact OG1-CG2 3.5Å; T417-E706 HydrophobicContact CG2-CG 4.34Å
418	N	93.9	Very high	96.4	Very high	102 Å²	102	56 Å²	56	55%	0.545	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	7	-173.5	-51.2	-49.2	0	0	0	115.3	L414 Q415 K416 L420 D421	L414-N418 PolarHBondContact O-N 3.29Å; Q415-N418 PolarHBondContact O-N 3.18Å; K416-N418 VanDerWaalsContact C-N 3.28Å; N418-L420 PolarHBondContact O-N 3.36Å; N418-D421 WeakPolarHBondContact O-CB 3.31Å; N418-D421 PolarHBondContact O-N 2.91Å; N418-D421 VanDerWaalsContact O-N 3.09Å
419	I	96.5	Very high	96.2	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-30.9	179.5	-167.5	57.6	0	0	0	112.3	L414 T417 D421 K422 C423 L709 R710 C713	L414-I419 HydrophobicContact CB-CG2 4.09Å; L414-I419 HydrophobicContact CD2-CG2 3.75Å; L414-I419 HydrophobicContact CG-CG2 4.49Å; T417-I419 PolarHBondContact O-N 2.99Å; T417-I419 VanDerWaalsContact O-N 3.14Å; T417-I419 VanDerWaalsContact OG1-CG2 3.24Å; T417-I419 WeakPolarHBondContact OG1-CG2 3.5Å; I419-D421 PolarHBondContact O-N 2.82Å; I419-K422 HydrophobicContact CD1-CD 4.2Å; I419-K422 WeakPolarHBondContact O-CB 3.39Å; I419-K422 PolarHBondContact O-N 3.46Å; I419-K422 VanDerWaalsContact O-N 3.09Å; I419-C423 PolarHBondContact O-SG 3.29Å; I419-C423 VanDerWaalsContact O-SG 3.37Å; I419-L709 HydrophobicContact CG1-CB 3.95Å; I419-L709 HydrophobicContact CG2-CD1 4.4Å; I419-R710 HydrophobicContact CD1-CG 3.85Å; I419-R710 HydrophobicContact CG1-CG 4.32Å; I419-C713 HydrophobicContact CD1-CB 4.45Å
420	L	96.5	Very high	96.1	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-20.8	176.6	-62.7	-178.7	0	0	0	113.2	V381 W411 L414 Q415 N418 K422 C423	V381-L420 HydrophobicContact CG1-CD2 4.15Å; V381-L420 HydrophobicContact CG2-CD2 4.24Å; W411-L420 HydrophobicContact CD2-CD1 4.2Å; W411-L420 HydrophobicContact CE3-CD1 4.21Å; W411-L420 HydrophobicContact CH2-CD1 4.07Å; W411-L420 HydrophobicContact CH2-CD2 4.38Å; W411-L420 HydrophobicContact CZ2-CD1 4.04Å; W411-L420 HydrophobicContact CZ3-CD1 4.14Å; W411-L420 HydrophobicContact CZ3-CD2 4.06Å; L414-L420 HydrophobicContact CB-CD1 3.97Å; L414-L420 HydrophobicContact CB-CD2 4.01Å; L414-L420 HydrophobicContact CB-CG 3.81Å; L414-L420 HydrophobicContact CD1-CD2 4.27Å; Q415-L420 HydrophobicContact CB-CD1 4.39Å; Q415-L420 HydrophobicContact CG-CD1 3.57Å; N418-L420 PolarHBondContact O-N 3.36Å; L420-K422 VanDerWaalsContact C-N 3.26Å; L420-K422 PolarHBondContact O-N 3.38Å; L420-C423 PolarHBondContact O-N 2.95Å
421	D	94.7	Very high	96.1	Very high	103 Å²	103	62.5 Å²	62.5	55%	0.551	30%	0.304	S	S	*	.	H	α-helix	trans	-72.8	-24.2	176.9	-64.9	-27.3	0	0	0	111.8	K377 N418 I419	K377-D421 WeakPolarHBondContact CE-O 3.39Å; K377-D421 PolarHBondContact NZ-O 3.01Å; N418-D421 WeakPolarHBondContact O-CB 3.31Å; N418-D421 PolarHBondContact O-N 2.91Å; N418-D421 VanDerWaalsContact O-N 3.09Å; I419-D421 PolarHBondContact O-N 2.82Å
422	K	95.1	Very high	96	Very high	95 Å²	95	62.7 Å²	62.7	41%	0.413	31%	0.31	S	S	.	.	H	α-helix	trans	-81.4	-16.1	172	-58.8	-173.3	177.5	-178	0	112.8	K377 I419 L420 D715	K377-K422 WeakPolarHBondContact CB-O 3.14Å; I419-K422 HydrophobicContact CD1-CD 4.2Å; I419-K422 WeakPolarHBondContact O-CB 3.39Å; I419-K422 PolarHBondContact O-N 3.46Å; I419-K422 VanDerWaalsContact O-N 3.09Å; L420-K422 VanDerWaalsContact C-N 3.26Å; L420-K422 PolarHBondContact O-N 3.38Å; K422-D715 IonicContact NZ-OD1 3.66Å; K422-D715 PolarHBondContact NZ-OD1 3.08Å; K422-D715 IonicContact NZ-OD2 2.7Å; K422-D715 PolarHBondContact NZ-OD2 3.18Å
423	C	97.4	Very high	96	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.014	30%	0.304	C	S	.	.	S	Bend	trans	-93.8	147	-177.4	-58.6	0	0	0	0	112.5	K377 T379 V381 I419 L420	K377-C423 VanDerWaalsContact CD-O 3.28Å; K377-C423 WeakPolarHBondContact CD-O 3.45Å; T379-C423 CarbonylContact O-C 3.57Å; T379-C423 WeakPolarHBondContact O-CA 3.33Å; V381-C423 HydrophobicContact CB-CB 4.12Å; V381-C423 HydrophobicContact CG1-CB 3.63Å; I419-C423 PolarHBondContact O-SG 3.29Å; I419-C423 VanDerWaalsContact O-SG 3.37Å; L420-C423 PolarHBondContact O-N 2.95Å
424	K	96.9	Very high	96	Very high	62 Å²	62	64 Å²	64	27%	0.27	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.8	165.8	-177.8	170.1	175.1	179	0	109.5	K377 T379 G380 V381 I426 S511 T512	K377-K424 HydrophobicContact CB-CB 4.24Å; T379-K424 PolarHBondContact O-N 3.37Å; G380-K424 CarbonylContact C-O 3.58Å; G380-K424 WeakPolarHBondContact CA-O 3.5Å; V381-K424 PolarHBondContact N-O 2.92Å; K424-I426 HydrophobicContact CD-CD1 4.48Å; K424-I426 HydrophobicContact CG-CD1 4.21Å; K424-I426 PolarHBondContact O-N 3.48Å; K424-S511 PolarHBondContact NZ-O 3.28Å; K424-T512 HydrophobicContact CB-CG2 4.13Å; K424-T512 HydrophobicContact CD-CG2 3.81Å; K424-T512 HydrophobicContact CG-CG2 4.31Å
425	K	96.5	Very high	95.9	Very high	124 Å²	124	64.2 Å²	64.2	54%	0.539	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.2	177.3	-67.5	178.7	-177.2	170.5	0	109.7	V381	V381-K425 HydrophobicContact CG1-CG 4.08Å; V381-K425 WeakPolarHBondContact O-CA 3.38Å
426	I	96.9	Very high	96	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.138	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.7	174.2	-55.8	-56.8	0	0	0	108.1	V381 V382 K424 G428 L503 A506 T512	V381-I426 PolarHBondContact O-N 3.03Å; V382-I426 HydrophobicContact CB-CB 4.29Å; V382-I426 WeakPolarHBondContact CG2-O 3.3Å; K424-I426 HydrophobicContact CD-CD1 4.48Å; K424-I426 HydrophobicContact CG-CD1 4.21Å; K424-I426 PolarHBondContact O-N 3.48Å; I426-G428 PolarHBondContact O-N 2.83Å; I426-L503 HydrophobicContact CG1-CD1 3.88Å; I426-A506 HydrophobicContact CD1-CB 4.29Å; I426-T512 HydrophobicContact CD1-CG2 4.01Å
427	S	93.4	Very high	96	Very high	106 Å²	106	57.5 Å²	57.5	74%	0.741	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-74.7	117.7	173.4	-169.7	0	0	0	0	109.2
428	G	88.4	Confident	96.1	Very high	10 Å²	10	57.8 Å²	57.8	10%	0.103	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-73.9	164.9	166.4	0	0	0	0	0	111.7	I426	I426-G428 PolarHBondContact O-N 2.83Å
429	R	93.3	Very high	96.3	Very high	115 Å²	115	53.5 Å²	53.5	43%	0.434	26%	0.259	S	S	.	.			trans	-142.3	164.8	170.9	74.8	-165.7	160.2	144.7	-2.2	111.1	T431 G498 D502	R429-T431 PolarHBondContact O-N 2.79Å; R429-G498 VanDerWaalsContact O-CA 3.31Å; R429-G498 WeakPolarHBondContact O-CA 3.38Å; R429-D502 VanDerWaalsContact CD-OD2 3.26Å; R429-D502 WeakPolarHBondContact CD-OD2 3.26Å; R429-D502 WeakPolarHBondContact CG-OD2 3.29Å; R429-D502 IonicContact CZ-OD1 3.94Å; R429-D502 IonicContact CZ-OD2 2.68Å; R429-D502 IonicContact NE-OD1 3.5Å; R429-D502 PolarHBondContact NE-OD1 3.12Å; R429-D502 VanDerWaalsContact NE-OD1 3.14Å; R429-D502 IonicContact NE-OD2 3.45Å; R429-D502 PolarHBondContact NE-OD2 3.2Å; R429-D502 IonicContact NH2-OD1 3.36Å; R429-D502 PolarHBondContact NH2-OD1 2.82Å
430	K	96.2	Very high	96.4	Very high	111 Å²	111	53.8 Å²	53.8	48%	0.483	26%	0.26	S	S	.	.			trans	-67.1	115.4	170.6	-175.8	177.6	68.1	-169.5	0	108.8	L491 R494 M495	K430-L491 HydrophobicContact CD-CD1 3.83Å; K430-L491 HydrophobicContact CG-CD1 4.34Å; K430-R494 HydrophobicContact CG-CB 3.74Å; K430-M495 WeakPolarHBondContact CA-SD 3.48Å; K430-M495 HydrophobicContact CB-SD 3.75Å; K430-M495 PolarHBondContact N-SD 3.41Å
431	T	97.7	Very high	96.4	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	27%	0.27	C	S	.	.			trans	-61.3	139.3	-176.8	-161.4	0	0	0	0	111.9	R429 I436 R494 V497	R429-T431 PolarHBondContact O-N 2.79Å; T431-I436 HydrophobicContact CG2-CD1 3.54Å; T431-I436 HydrophobicContact CG2-CG1 3.63Å; T431-R494 WeakPolarHBondContact CB-O 3.48Å; T431-R494 HydrophobicContact CG2-CB 4.09Å; T431-R494 HydrophobicContact CG2-CG 4.2Å; T431-R494 WeakPolarHBondContact CG2-O 3.44Å; T431-R494 PolarHBondContact N-O 2.87Å; T431-R494 PolarHBondContact O-NE 3.13Å; T431-R494 PolarHBondContact O-NH2 3.28Å; T431-V497 HydrophobicContact CG2-CB 3.81Å; T431-V497 HydrophobicContact CG2-CG1 3.7Å
432	P	97.2	Very high	96.4	Very high	38 Å²	38	56 Å²	56	25%	0.247	27%	0.274	C	S	.	.			trans	-66.4	150.3	167	29.5	-37.2	0	0	0	111	E434 Y435	P432-E434 HydrophobicContact CB-CG 4.04Å; P432-E434 HydrophobicContact CG-CG 3.95Å; P432-E434 PolarHBondContact O-N 3.21Å; P432-E434 VanDerWaalsContact O-N 3.11Å; P432-Y435 HydrophobicContact CG-CD2 3.47Å; P432-Y435 VanDerWaalsContact CG-CD2 3.47Å; P432-Y435 HydrophobicContact CG-CE2 3.88Å; P432-Y435 HydrophobicContact CG-CG 4.49Å; P432-Y435 PolarHBondContact O-N 2.86Å
433	L	97.8	Very high	96.4	Very high	41 Å²	41	52.1 Å²	52.1	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-21.6	-176.4	-57.8	177	0	0	0	113.1	Y435 I436 R437 T445 V450	L433-Y435 VanDerWaalsContact C-N 3.3Å; L433-Y435 PolarHBondContact O-N 3.13Å; L433-I436 HydrophobicContact CD2-CD1 4.35Å; L433-I436 PolarHBondContact O-N 3.08Å; L433-R437 VanDerWaalsContact CB-NH1 3.35Å; L433-R437 WeakPolarHBondContact O-CG 3.32Å; L433-R437 PolarHBondContact O-N 3.01Å; L433-R437 VanDerWaalsContact O-N 3.07Å; L433-T445 HydrophobicContact CB-CG2 4.11Å; L433-T445 HydrophobicContact CD2-CG2 4.02Å; L433-V450 HydrophobicContact CD1-CG2 3.47Å; L433-V450 VanDerWaalsContact CD1-CG2 3.47Å; L433-V450 HydrophobicContact CD2-CG2 3.84Å; L433-V450 HydrophobicContact CG-CG2 4.27Å
434	E	97.3	Very high	96.4	Very high	106 Å²	106	52 Å²	52	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-35.9	177	68.4	-174.6	-164.8	0	0	113	P432	P432-E434 HydrophobicContact CB-CG 4.04Å; P432-E434 HydrophobicContact CG-CG 3.95Å; P432-E434 PolarHBondContact O-N 3.21Å; P432-E434 VanDerWaalsContact O-N 3.11Å
435	Y	97.9	Very high	96.4	Very high	6 Å²	6	49 Å²	49	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-70.7	-41.1	176.6	-79.5	-58.3	0	0	0	111.2	P432 L433 R437 L438 V501 I542 A546 K550	P432-Y435 HydrophobicContact CG-CD2 3.47Å; P432-Y435 VanDerWaalsContact CG-CD2 3.47Å; P432-Y435 HydrophobicContact CG-CE2 3.88Å; P432-Y435 HydrophobicContact CG-CG 4.49Å; P432-Y435 PolarHBondContact O-N 2.86Å; L433-Y435 VanDerWaalsContact C-N 3.3Å; L433-Y435 PolarHBondContact O-N 3.13Å; Y435-R437 VanDerWaalsContact C-N 3.27Å; Y435-R437 PolarHBondContact O-N 2.91Å; Y435-L438 HydrophobicContact CD1-CD1 3.88Å; Y435-L438 WeakPolarHBondContact O-CB 3.1Å; Y435-L438 WeakPolarHBondContact O-CG 3.46Å; Y435-L438 PolarHBondContact O-N 2.95Å; Y435-L438 VanDerWaalsContact O-N 3.08Å; Y435-V501 HydrophobicContact CE1-CG1 4.13Å; Y435-V501 HydrophobicContact CE2-CG1 4.19Å; Y435-I542 VanDerWaalsContact O-CG2 3.29Å; Y435-I542 WeakPolarHBondContact O-CG2 3.22Å; Y435-A546 HydrophobicContact CD1-CB 3.79Å; Y435-A546 HydrophobicContact CE1-CB 3.55Å; Y435-K550 HydrophobicContact CE1-CD 4.13Å; Y435-K550 WeakPolarHBondContact OH-CD 3.26Å; Y435-K550 WeakPolarHBondContact OH-CE 3.42Å; Y435-K550 PolarHBondContact OH-NZ 3.37Å
436	I	98.6	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-39.2	179.1	-61.2	171.2	0	0	0	110.7	T431 L433 L438 C439 H440 T445 R494 V497 F537 I542	T431-I436 HydrophobicContact CG2-CD1 3.54Å; T431-I436 HydrophobicContact CG2-CG1 3.63Å; L433-I436 HydrophobicContact CD2-CD1 4.35Å; L433-I436 PolarHBondContact O-N 3.08Å; I436-L438 PolarHBondContact O-N 2.87Å; I436-L438 VanDerWaalsContact O-N 3.09Å; I436-C439 PolarHBondContact O-N 2.78Å; I436-C439 VanDerWaalsContact O-N 3.11Å; I436-H440 HydrophobicContact CG2-CB 4.17Å; I436-H440 PolarHBondContact O-N 3.03Å; I436-T445 HydrophobicContact CB-CG2 3.82Å; I436-T445 HydrophobicContact CG2-CG2 3.65Å; I436-T445 WeakPolarHBondContact CG2-OG1 3.24Å; I436-R494 HydrophobicContact CD1-CG 3.88Å; I436-V497 HydrophobicContact CG1-CG1 4.48Å; I436-F537 HydrophobicContact CD1-CD2 4Å; I436-F537 HydrophobicContact CD1-CE1 4.42Å; I436-F537 HydrophobicContact CD1-CE2 3.67Å; I436-F537 HydrophobicContact CD1-CZ 3.89Å; I436-F537 HydrophobicContact CG2-CD1 3.45Å; I436-F537 VanDerWaalsContact CG2-CD1 3.45Å; I436-F537 HydrophobicContact CG2-CE1 3.36Å; I436-F537 HydrophobicContact CG2-CE2 4.46Å; I436-F537 HydrophobicContact CG2-CG 4.08Å; I436-F537 HydrophobicContact CG2-CZ 3.9Å; I436-I542 HydrophobicContact CB-CD1 4.47Å; I436-I542 HydrophobicContact CG1-CD1 4.34Å; I436-I542 HydrophobicContact CG2-CD1 4.46Å
437	R	98.3	Very high	96.4	Very high	118 Å²	118	43.4 Å²	43.4	45%	0.445	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-6.2	176.6	-73	-172.5	-62.3	-101.3	1.7	114.9	L433 Y435 H440 T445	L433-R437 VanDerWaalsContact CB-NH1 3.35Å; L433-R437 WeakPolarHBondContact O-CG 3.32Å; L433-R437 PolarHBondContact O-N 3.01Å; L433-R437 VanDerWaalsContact O-N 3.07Å; Y435-R437 VanDerWaalsContact C-N 3.27Å; Y435-R437 PolarHBondContact O-N 2.91Å; R437-H440 WeakPolarHBondContact CA-O 3.47Å; R437-T445 HydrophobicContact CG-CG2 4.03Å
438	L	98.1	Very high	96.5	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.199	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.5	170.2	-62	178.4	0	0	0	111.9	Y435 I436 H545 A546 Q549	Y435-L438 HydrophobicContact CD1-CD1 3.88Å; Y435-L438 WeakPolarHBondContact O-CB 3.1Å; Y435-L438 WeakPolarHBondContact O-CG 3.46Å; Y435-L438 PolarHBondContact O-N 2.95Å; Y435-L438 VanDerWaalsContact O-N 3.08Å; I436-L438 PolarHBondContact O-N 2.87Å; I436-L438 VanDerWaalsContact O-N 3.09Å; L438-H545 HydrophobicContact CB-CB 3.9Å; L438-H545 HydrophobicContact CD1-CB 3.93Å; L438-H545 HydrophobicContact CG-CB 4.44Å; L438-A546 HydrophobicContact CD1-CB 4.35Å; L438-Q549 VanDerWaalsContact CD2-OE1 3.3Å
439	C	98.4	Very high	96.9	Very high	13 Å²	13	38 Å²	38	9%	0.088	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-31.5	-176.9	-59.1	0	0	0	0	112.8	I436 P528 I542 I573	I436-C439 PolarHBondContact O-N 2.78Å; I436-C439 VanDerWaalsContact O-N 3.11Å; C439-P528 WeakPolarHBondContact O-CA 3.29Å; C439-P528 WeakPolarHBondContact O-CB 3.37Å; C439-I542 HydrophobicContact CB-CG1 3.94Å; C439-I542 VanDerWaalsContact SG-CG1 3.58Å; C439-I542 PolarHBondContact SG-N 3.28Å; C439-I542 VanDerWaalsContact SG-N 3.41Å; C439-I573 HydrophobicContact CB-CD1 3.98Å
440	H	98.4	Very high	97	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.032	18%	0.182	C	C	.	.	S	Bend	trans	-112.1	148.5	-171.1	-58.3	-78.6	0	0	0	113.3	I436 R437 Y444 T445 E527 P528 F537 N538	I436-H440 HydrophobicContact CG2-CB 4.17Å; I436-H440 PolarHBondContact O-N 3.03Å; R437-H440 WeakPolarHBondContact CA-O 3.47Å; H440-Y444 HydrophobicContact CB-CD1 3.62Å; H440-Y444 HydrophobicContact CB-CE1 4.16Å; H440-Y444 HydrophobicContact CB-CG 4.43Å; H440-Y444 AromaticContact CG-CD1 3.83Å; H440-Y444 AromaticContact CG-CE1 3.83Å; H440-Y444 AromaticContact ND1-CD1 3.81Å; H440-Y444 AromaticContact ND1-CE1 3.49Å; H440-Y444 WeakPolarHBondContact ND1-CE1 3.3Å; H440-T445 PolarHBondContact O-OG1 2.7Å; H440-E527 PolarHBondContact CE1-O 3.26Å; H440-E527 VanDerWaalsContact CE1-O 3.25Å; H440-E527 PolarHBondContact ND1-O 2.84Å; H440-P528 WeakPolarHBondContact CA-O 3.41Å; H440-P528 WeakPolarHBondContact CB-O 3.47Å; H440-P528 PolarHBondContact ND1-O 3.44Å; H440-F537 AromaticContact CD2-CD1 3.71Å; H440-F537 WeakPolarHBondContact NE2-CA 3.46Å; H440-F537 AromaticContact NE2-CD1 3.93Å; H440-N538 PolarHBondContact NE2-N 3.49Å
441	G	96	Very high	96.8	Very high	23 Å²	23	31.4 Å²	31.4	24%	0.237	17%	0.165	C	C	.	.			trans	-61.5	158.5	177.3	0	0	0	0	0	113	C443 Y444 T445 P528 N529	G441-C443 PolarHBondContact O-N 3.03Å; G441-Y444 PolarHBondContact O-N 3.37Å; G441-T445 VanDerWaalsContact O-CB 3.31Å; G441-T445 WeakPolarHBondContact O-CB 3.45Å; G441-T445 PolarHBondContact O-N 3.26Å; G441-T445 PolarHBondContact O-OG1 3.35Å; G441-P528 PolarHBondContact N-O 3.42Å; G441-N529 VanDerWaalsContact CA-OD1 3.25Å; G441-N529 WeakPolarHBondContact CA-OD1 3.37Å; G441-N529 PolarHBondContact N-OD1 3.47Å
442	E	94.9	Very high	96.4	Very high	133 Å²	133	31.3 Å²	31.3	62%	0.621	16%	0.164	S	C	*	.	H	α-helix	trans	-62.3	-44.9	-176.1	-176.3	-180	-167.8	0	0	112.8	T446	E442-T446 WeakPolarHBondContact O-CB 3.34Å; E442-T446 PolarHBondContact O-N 2.98Å; E442-T446 PolarHBondContact O-OG1 2.88Å
443	C	95.4	Very high	96	Very high	13 Å²	13	31.6 Å²	31.6	9%	0.088	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-44.9	178.4	-170.1	0	0	0	0	110.8	G441 T445 T446 F447 C455 R462	G441-C443 PolarHBondContact O-N 3.03Å; C443-T445 PolarHBondContact O-N 3.08Å; C443-T446 PolarHBondContact O-N 3.37Å; C443-F447 WeakPolarHBondContact O-CB 3.32Å; C443-F447 PolarHBondContact O-N 3.15Å; C443-C455 PolarHBondContact O-SG 3.18Å; C443-C455 VanDerWaalsContact O-SG 3.41Å; C443-R462 HydrophobicContact CB-CB 4.04Å; C443-R462 WeakPolarHBondContact CB-O 3.44Å; C443-R462 PolarHBondContact SG-O 2.84Å; C443-R462 VanDerWaalsContact SG-O 3.33Å
444	Y	97.1	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.8	-50.6	174.2	-174.2	-83.4	0	0	0	112.3	H440 G441 T446 F447 F448 P464 N529 A531 F536 F537	H440-Y444 HydrophobicContact CB-CD1 3.62Å; H440-Y444 HydrophobicContact CB-CE1 4.16Å; H440-Y444 HydrophobicContact CB-CG 4.43Å; H440-Y444 AromaticContact CG-CD1 3.83Å; H440-Y444 AromaticContact CG-CE1 3.83Å; H440-Y444 AromaticContact ND1-CD1 3.81Å; H440-Y444 AromaticContact ND1-CE1 3.49Å; H440-Y444 WeakPolarHBondContact ND1-CE1 3.3Å; G441-Y444 PolarHBondContact O-N 3.37Å; Y444-T446 VanDerWaalsContact C-N 3.3Å; Y444-T446 PolarHBondContact O-N 2.78Å; Y444-F447 WeakPolarHBondContact O-CB 3.48Å; Y444-F447 PolarHBondContact O-N 2.97Å; Y444-F448 HydrophobicContact CD1-CD2 4.06Å; Y444-F448 AromaticContact CD2-CD2 3.91Å; Y444-F448 HydrophobicContact CD2-CD2 3.91Å; Y444-F448 AromaticContact CD2-CE2 3.87Å; Y444-F448 HydrophobicContact CD2-CE2 3.87Å; Y444-F448 AromaticContact CE1-CD2 3.76Å; Y444-F448 HydrophobicContact CE1-CD2 3.76Å; Y444-F448 HydrophobicContact CE1-CE2 4.43Å; Y444-F448 AromaticContact CE2-CD2 3.58Å; Y444-F448 HydrophobicContact CE2-CD2 3.58Å; Y444-F448 AromaticContact CE2-CE2 3.41Å; Y444-F448 HydrophobicContact CE2-CE2 3.41Å; Y444-F448 VanDerWaalsContact CE2-CE2 3.41Å; Y444-F448 HydrophobicContact CG-CD2 4.14Å; Y444-F448 AromaticContact CZ-CD2 3.51Å; Y444-F448 AromaticContact CZ-CE2 3.75Å; Y444-F448 PolarHBondContact O-N 3Å; Y444-P464 HydrophobicContact CD2-CB 3.48Å; Y444-P464 VanDerWaalsContact CD2-CB 3.48Å; Y444-P464 HydrophobicContact CD2-CG 4.42Å; Y444-P464 HydrophobicContact CE2-CB 4.18Å; Y444-P464 HydrophobicContact CG-CB 4.31Å; Y444-N529 VanDerWaalsContact CD2-CA 3.46Å; Y444-N529 HydrophobicContact CD2-CB 4.45Å; Y444-N529 VanDerWaalsContact CD2-O 3.31Å; Y444-N529 WeakPolarHBondContact CD2-O 3.32Å; Y444-A531 HydrophobicContact CE2-CB 4.46Å; Y444-A531 WeakPolarHBondContact OH-CA 3.3Å; Y444-A531 WeakPolarHBondContact OH-CB 3.32Å; Y444-A531 PolarHBondContact OH-N 3.49Å; Y444-F536 WeakPolarHBondContact CE1-O 3.41Å; Y444-F536 VanDerWaalsContact CZ-O 3.29Å; Y444-F536 PolarHBondContact OH-O 3.12Å; Y444-F537 HydrophobicContact CD1-CD1 4.4Å; Y444-F537 AromaticContact CD1-CE1 3.99Å; Y444-F537 HydrophobicContact CD1-CE1 3.99Å; Y444-F537 AromaticContact CE1-CD1 3.84Å; Y444-F537 HydrophobicContact CE1-CD1 3.84Å; Y444-F537 AromaticContact CE1-CE1 3.75Å; Y444-F537 HydrophobicContact CE1-CE1 3.75Å
445	T	97.9	Very high	95.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-42.8	177.4	-61.6	0	0	0	0	111.6	L433 I436 R437 H440 G441 C443 G449	L433-T445 HydrophobicContact CB-CG2 4.11Å; L433-T445 HydrophobicContact CD2-CG2 4.02Å; I436-T445 HydrophobicContact CB-CG2 3.82Å; I436-T445 HydrophobicContact CG2-CG2 3.65Å; I436-T445 WeakPolarHBondContact CG2-OG1 3.24Å; R437-T445 HydrophobicContact CG-CG2 4.03Å; H440-T445 PolarHBondContact O-OG1 2.7Å; G441-T445 VanDerWaalsContact O-CB 3.31Å; G441-T445 WeakPolarHBondContact O-CB 3.45Å; G441-T445 PolarHBondContact O-N 3.26Å; G441-T445 PolarHBondContact O-OG1 3.35Å; C443-T445 PolarHBondContact O-N 3.08Å; T445-G449 WeakPolarHBondContact O-CA 3.44Å; T445-G449 PolarHBondContact O-N 2.96Å
446	T	96	Very high	94.5	Very high	33 Å²	33	29.3 Å²	29.3	20%	0.202	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-41	178.9	-58.6	0	0	0	0	111.1	E442 C443 Y444 V450 S451 A454	E442-T446 WeakPolarHBondContact O-CB 3.34Å; E442-T446 PolarHBondContact O-N 2.98Å; E442-T446 PolarHBondContact O-OG1 2.88Å; C443-T446 PolarHBondContact O-N 3.37Å; Y444-T446 VanDerWaalsContact C-N 3.3Å; Y444-T446 PolarHBondContact O-N 2.78Å; T446-V450 HydrophobicContact CG2-CB 4.43Å; T446-V450 WeakPolarHBondContact O-CA 3.49Å; T446-V450 WeakPolarHBondContact O-CB 3.2Å; T446-V450 PolarHBondContact O-N 3.24Å; T446-S451 PolarHBondContact O-N 3.38Å; T446-A454 HydrophobicContact CG2-CB 3.72Å
447	F	95.5	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-54.9	-179.3	-166.5	-79.2	0	0	0	111.5	L332 C443 Y444 S451 P452 C455 M463 P464 L465 F468	L332-F447 HydrophobicContact CD2-CE2 4.34Å; L332-F447 HydrophobicContact CD2-CZ 4.31Å; C443-F447 WeakPolarHBondContact O-CB 3.32Å; C443-F447 PolarHBondContact O-N 3.15Å; Y444-F447 WeakPolarHBondContact O-CB 3.48Å; Y444-F447 PolarHBondContact O-N 2.97Å; F447-S451 CarbonylContact O-C 3.38Å; F447-P452 HydrophobicContact CD1-CB 4.32Å; F447-P452 HydrophobicContact CD1-CG 3.99Å; F447-P452 HydrophobicContact CD2-CB 3.98Å; F447-P452 HydrophobicContact CE1-CB 3.89Å; F447-P452 HydrophobicContact CE1-CG 3.6Å; F447-P452 HydrophobicContact CE2-CB 3.52Å; F447-P452 HydrophobicContact CE2-CG 4.18Å; F447-P452 HydrophobicContact CG-CB 4.35Å; F447-P452 HydrophobicContact CG-CG 4.41Å; F447-P452 HydrophobicContact CZ-CB 3.44Å; F447-P452 VanDerWaalsContact CZ-CB 3.44Å; F447-P452 HydrophobicContact CZ-CG 3.69Å; F447-P452 VanDerWaalsContact O-CD 3.28Å; F447-P452 WeakPolarHBondContact O-CD 3.5Å; F447-C455 HydrophobicContact CD2-CB 4.19Å; F447-C455 PolarHBondContact N-SG 3.14Å; F447-C455 VanDerWaalsContact N-SG 3.44Å; F447-M463 HydrophobicContact CD2-SD 4.45Å; F447-P464 HydrophobicContact CB-CG 3.62Å; F447-P464 HydrophobicContact CD1-CG 3.92Å; F447-P464 HydrophobicContact CD2-CG 3.73Å; F447-P464 HydrophobicContact CE2-CG 4.4Å; F447-P464 HydrophobicContact CG-CG 3.47Å; F447-P464 VanDerWaalsContact CG-CG 3.47Å; F447-L465 HydrophobicContact CD1-CD2 3.87Å; F447-L465 HydrophobicContact CD2-CD2 4.28Å; F447-L465 HydrophobicContact CE1-CD2 3.21Å; F447-L465 HydrophobicContact CE1-CG 4.41Å; F447-L465 HydrophobicContact CE2-CD2 3.68Å; F447-L465 HydrophobicContact CE2-CG 4.38Å; F447-L465 HydrophobicContact CG-CD2 4.38Å; F447-L465 HydrophobicContact CZ-CD1 3.96Å; F447-L465 HydrophobicContact CZ-CD2 3.11Å; F447-L465 HydrophobicContact CZ-CG 3.92Å; F447-F468 HydrophobicContact CE1-CE1 4.46Å; F447-F468 HydrophobicContact CE1-CZ 4.15Å; F447-F468 HydrophobicContact CZ-CE1 4.36Å; F447-F468 HydrophobicContact CZ-CE2 4.4Å; F447-F468 AromaticContact CZ-CZ 3.7Å; F447-F468 HydrophobicContact CZ-CZ 3.7Å
448	F	97.1	Very high	93	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-89.6	-15.7	-175.7	-67.9	-60.9	0	0	0	114.3	Y444 P464 L465 V478 F484 Q490 A531 F536 F537	Y444-F448 HydrophobicContact CD1-CD2 4.06Å; Y444-F448 AromaticContact CD2-CD2 3.91Å; Y444-F448 HydrophobicContact CD2-CD2 3.91Å; Y444-F448 AromaticContact CD2-CE2 3.87Å; Y444-F448 HydrophobicContact CD2-CE2 3.87Å; Y444-F448 AromaticContact CE1-CD2 3.76Å; Y444-F448 HydrophobicContact CE1-CD2 3.76Å; Y444-F448 HydrophobicContact CE1-CE2 4.43Å; Y444-F448 AromaticContact CE2-CD2 3.58Å; Y444-F448 HydrophobicContact CE2-CD2 3.58Å; Y444-F448 AromaticContact CE2-CE2 3.41Å; Y444-F448 HydrophobicContact CE2-CE2 3.41Å; Y444-F448 VanDerWaalsContact CE2-CE2 3.41Å; Y444-F448 HydrophobicContact CG-CD2 4.14Å; Y444-F448 AromaticContact CZ-CD2 3.51Å; Y444-F448 AromaticContact CZ-CE2 3.75Å; Y444-F448 PolarHBondContact O-N 3Å; F448-P464 HydrophobicContact CE2-CB 4.04Å; F448-P464 HydrophobicContact CE2-CG 4.09Å; F448-L465 HydrophobicContact CZ-CD2 4.06Å; F448-V478 HydrophobicContact CE1-CG1 3.66Å; F448-V478 HydrophobicContact CZ-CG1 3.85Å; F448-F484 HydrophobicContact CD1-CD2 4.29Å; F448-F484 AromaticContact CD1-CE2 3.88Å; F448-F484 HydrophobicContact CD1-CE2 3.88Å; F448-F484 HydrophobicContact CE1-CD2 4.17Å; F448-F484 HydrophobicContact CE1-CE2 4.1Å; F448-Q490 VanDerWaalsContact O-CA 3.26Å; F448-Q490 WeakPolarHBondContact O-CA 3.25Å; F448-Q490 WeakPolarHBondContact O-CB 3.38Å; F448-Q490 WeakPolarHBondContact O-CG 3.32Å; F448-A531 HydrophobicContact CE2-CB 4.06Å; F448-A531 HydrophobicContact CZ-CB 4.01Å; F448-F536 AromaticContact CD1-CD1 3.48Å; F448-F536 HydrophobicContact CD1-CD1 3.48Å; F448-F536 VanDerWaalsContact CD1-CD1 3.48Å; F448-F536 AromaticContact CD1-CE1 3.87Å; F448-F536 HydrophobicContact CD1-CE1 3.87Å; F448-F536 AromaticContact CE1-CD1 3.73Å; F448-F536 HydrophobicContact CE1-CD1 3.73Å; F448-F536 AromaticContact CE1-CE1 3.77Å; F448-F536 HydrophobicContact CE1-CE1 3.77Å; F448-F536 HydrophobicContact CG-CD1 4.03Å; F448-F536 HydrophobicContact CZ-CD1 4.42Å; F448-F537 HydrophobicContact CB-CE1 3.95Å; F448-F537 HydrophobicContact CB-CE2 4.34Å; F448-F537 HydrophobicContact CB-CZ 3.61Å
449	G	96.4	Very high	92.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-107.3	-15.8	-176.8	0	0	0	0	0	114.6	T445 R494	T445-G449 WeakPolarHBondContact O-CA 3.44Å; T445-G449 PolarHBondContact O-N 2.96Å; G449-R494 WeakPolarHBondContact O-CD 3.27Å; G449-R494 PolarHBondContact O-NH1 3.16Å
450	V	94.7	Very high	91.7	Very high	70 Å²	70	37.1 Å²	37.1	42%	0.424	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-74	-179.9	-174.8	0	0	0	0	110	L433 T446	L433-V450 HydrophobicContact CD1-CG2 3.47Å; L433-V450 VanDerWaalsContact CD1-CG2 3.47Å; L433-V450 HydrophobicContact CD2-CG2 3.84Å; L433-V450 HydrophobicContact CG-CG2 4.27Å; T446-V450 HydrophobicContact CG2-CB 4.43Å; T446-V450 WeakPolarHBondContact O-CA 3.49Å; T446-V450 WeakPolarHBondContact O-CB 3.2Å; T446-V450 PolarHBondContact O-N 3.24Å
451	S	91.5	Very high	91	Very high	16 Å²	16	40.2 Å²	40.2	11%	0.112	23%	0.227	C	C	.	.			trans	-168.5	138.9	174.7	178.9	0	0	0	0	109.4	T446 F447 T453 A454	T446-S451 PolarHBondContact O-N 3.38Å; F447-S451 CarbonylContact O-C 3.38Å; S451-T453 PolarHBondContact O-N 3.48Å; S451-T453 VanDerWaalsContact O-N 3.14Å; S451-T453 PolarHBondContact OG-N 2.93Å; S451-T453 PolarHBondContact OG-OG1 3.21Å; S451-A454 WeakPolarHBondContact O-CB 3.42Å; S451-A454 PolarHBondContact O-N 3.41Å
452	P	90.6	Very high	90.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-49.7	-35.6	167.3	-31.5	39.4	0	0	0	113.8	L332 F447 A454 C455 F484 D486	L332-P452 HydrophobicContact CD2-CB 3.21Å; L332-P452 HydrophobicContact CD2-CG 4.34Å; F447-P452 HydrophobicContact CD1-CB 4.32Å; F447-P452 HydrophobicContact CD1-CG 3.99Å; F447-P452 HydrophobicContact CD2-CB 3.98Å; F447-P452 HydrophobicContact CE1-CB 3.89Å; F447-P452 HydrophobicContact CE1-CG 3.6Å; F447-P452 HydrophobicContact CE2-CB 3.52Å; F447-P452 HydrophobicContact CE2-CG 4.18Å; F447-P452 HydrophobicContact CG-CB 4.35Å; F447-P452 HydrophobicContact CG-CG 4.41Å; F447-P452 HydrophobicContact CZ-CB 3.44Å; F447-P452 VanDerWaalsContact CZ-CB 3.44Å; F447-P452 HydrophobicContact CZ-CG 3.69Å; F447-P452 VanDerWaalsContact O-CD 3.28Å; F447-P452 WeakPolarHBondContact O-CD 3.5Å; P452-A454 VanDerWaalsContact C-N 3.29Å; P452-A454 PolarHBondContact O-N 2.91Å; P452-C455 WeakPolarHBondContact O-CB 3.16Å; P452-C455 PolarHBondContact O-N 2.91Å; P452-C455 VanDerWaalsContact O-N 3.15Å; P452-F484 HydrophobicContact CG-CE1 3.81Å; P452-F484 HydrophobicContact CG-CZ 3.65Å; P452-D486 WeakPolarHBondContact CD-OD1 3.42Å
453	T	88.3	Confident	90.5	Very high	44 Å²	44	41.1 Å²	41.1	27%	0.27	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-67.1	-28.7	-179.4	60.8	0	0	0	0	113.6	V336 S451 C455 M456	V336-T453 HydrophobicContact CG2-CG2 3.21Å; S451-T453 PolarHBondContact O-N 3.48Å; S451-T453 VanDerWaalsContact O-N 3.14Å; S451-T453 PolarHBondContact OG-N 2.93Å; S451-T453 PolarHBondContact OG-OG1 3.21Å; T453-C455 PolarHBondContact O-N 3.28Å; T453-M456 HydrophobicContact CG2-CE 4.48Å; T453-M456 WeakPolarHBondContact O-CB 3.48Å; T453-M456 WeakPolarHBondContact O-CG 3.13Å; T453-M456 PolarHBondContact O-N 3.42Å; T453-M456 VanDerWaalsContact O-N 3.11Å
454	A	88.9	Confident	90.3	Very high	53 Å²	53	40.9 Å²	40.9	44%	0.438	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-66.5	-23.1	177	0	0	0	0	0	111.7	T446 S451 P452 M456	T446-A454 HydrophobicContact CG2-CB 3.72Å; S451-A454 WeakPolarHBondContact O-CB 3.42Å; S451-A454 PolarHBondContact O-N 3.41Å; P452-A454 VanDerWaalsContact C-N 3.29Å; P452-A454 PolarHBondContact O-N 2.91Å; A454-M456 VanDerWaalsContact C-N 3.34Å
455	C	88.5	Confident	90	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-82.8	-6.8	176.2	-59.9	0	0	0	0	113.2	C443 F447 P452 T453 K457 S458 M463	C443-C455 PolarHBondContact O-SG 3.18Å; C443-C455 VanDerWaalsContact O-SG 3.41Å; F447-C455 HydrophobicContact CD2-CB 4.19Å; F447-C455 PolarHBondContact N-SG 3.14Å; F447-C455 VanDerWaalsContact N-SG 3.44Å; P452-C455 WeakPolarHBondContact O-CB 3.16Å; P452-C455 PolarHBondContact O-N 2.91Å; P452-C455 VanDerWaalsContact O-N 3.15Å; T453-C455 PolarHBondContact O-N 3.28Å; C455-K457 PolarHBondContact O-N 3.39Å; C455-S458 WeakPolarHBondContact O-CB 3.35Å; C455-S458 PolarHBondContact O-N 3.35Å; C455-S458 PolarHBondContact O-OG 2.89Å; C455-M463 VanDerWaalsContact C-CE 3.49Å; C455-M463 HydrophobicContact CB-CE 3.79Å; C455-M463 HydrophobicContact CB-SD 3.79Å; C455-M463 WeakPolarHBondContact O-CE 3.43Å
456	M	83.9	Confident	89.5	Confident	51 Å²	51	47.7 Å²	47.7	25%	0.251	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-61.8	-15.5	-177.6	-74.8	-165.9	-62.2	0	0	114.3	Y325 R329 L332 T453 A454	Y325-M456 PolarHBondContact OH-O 3.44Å; R329-M456 PolarHBondContact NH1-O 3Å; R329-M456 PolarHBondContact NH2-O 2.9Å; L332-M456 HydrophobicContact CD1-CG 4.19Å; T453-M456 HydrophobicContact CG2-CE 4.48Å; T453-M456 WeakPolarHBondContact O-CB 3.48Å; T453-M456 WeakPolarHBondContact O-CG 3.13Å; T453-M456 PolarHBondContact O-N 3.42Å; T453-M456 VanDerWaalsContact O-N 3.11Å; A454-M456 VanDerWaalsContact C-N 3.34Å
457	K	82.8	Confident	89.3	Confident	207 Å²	207	47 Å²	47	90%	0.9	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-99.5	-4.8	174	-63.6	-176.4	-178.4	179.6	0	112.9	C455	C455-K457 PolarHBondContact O-N 3.39Å
458	S	83.2	Confident	89.2	Confident	39 Å²	39	47.9 Å²	47.9	27%	0.273	25%	0.247	S	C	.	.	S	Bend	trans	-76.3	157.7	178.2	-54.1	0	0	0	0	111.2	Y325 C455	Y325-S458 PolarHBondContact OH-O 3.44Å; C455-S458 WeakPolarHBondContact O-CB 3.35Å; C455-S458 PolarHBondContact O-N 3.35Å; C455-S458 PolarHBondContact O-OG 2.89Å
459	D	83.9	Confident	88.9	Confident	61 Å²	61	50.5 Å²	50.5	33%	0.326	26%	0.264	S	S	.	.			trans	-51	124.3	171.7	-179.4	-11.6	0	0	0	110.6	T461 R462	D459-T461 PolarHBondContact O-N 3.31Å; D459-T461 VanDerWaalsContact O-N 3.16Å; D459-T461 WeakPolarHBondContact OD1-CB 3.32Å; D459-T461 WeakPolarHBondContact OD1-CG2 3.36Å; D459-T461 PolarHBondContact OD1-N 3.15Å; D459-T461 PolarHBondContact OD1-OG1 2.83Å; D459-T461 PolarHBondContact OD2-OG1 2.96Å; D459-R462 HydrophobicContact CB-CB 4.44Å; D459-R462 HydrophobicContact CB-CG 4.03Å; D459-R462 PolarHBondContact O-N 3.12Å
460	P	84.3	Confident	88.6	Confident	27 Å²	27	54.8 Å²	54.8	18%	0.175	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-53.6	-31	177	-27.5	35.6	0	0	0	114.7	L317 Y325 R462 M463	L317-P460 HydrophobicContact CD1-CB 3.47Å; L317-P460 VanDerWaalsContact CD1-CB 3.47Å; L317-P460 HydrophobicContact CD1-CG 3.55Å; Y325-P460 HydrophobicContact CD1-CB 4.07Å; Y325-P460 HydrophobicContact CD1-CG 3.81Å; Y325-P460 HydrophobicContact CD2-CB 3.44Å; Y325-P460 VanDerWaalsContact CD2-CB 3.44Å; Y325-P460 HydrophobicContact CD2-CG 3.91Å; Y325-P460 HydrophobicContact CE1-CB 4.28Å; Y325-P460 HydrophobicContact CE1-CG 3.66Å; Y325-P460 HydrophobicContact CE2-CB 3.66Å; Y325-P460 HydrophobicContact CE2-CG 3.76Å; Y325-P460 HydrophobicContact CG-CB 3.63Å; Y325-P460 HydrophobicContact CG-CG 3.91Å; P460-R462 PolarHBondContact O-N 2.9Å; P460-M463 PolarHBondContact O-N 2.94Å
461	T	85	Confident	88.4	Confident	71 Å²	71	52.1 Å²	52.1	44%	0.436	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-69.1	-21.3	179.7	66.8	0	0	0	0	112.7	L317 D459	L317-T461 HydrophobicContact CD2-CG2 3.49Å; L317-T461 VanDerWaalsContact CD2-CG2 3.49Å; D459-T461 PolarHBondContact O-N 3.31Å; D459-T461 VanDerWaalsContact O-N 3.16Å; D459-T461 WeakPolarHBondContact OD1-CB 3.32Å; D459-T461 WeakPolarHBondContact OD1-CG2 3.36Å; D459-T461 PolarHBondContact OD1-N 3.15Å; D459-T461 PolarHBondContact OD1-OG1 2.83Å; D459-T461 PolarHBondContact OD2-OG1 2.96Å
462	R	88.5	Confident	88.2	Confident	161 Å²	161	60.2 Å²	60.2	61%	0.608	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-93.7	-2.1	-178.9	-61.1	-174.6	177.7	-163.6	-4	113.5	C443 D459 P460	C443-R462 HydrophobicContact CB-CB 4.04Å; C443-R462 WeakPolarHBondContact CB-O 3.44Å; C443-R462 PolarHBondContact SG-O 2.84Å; C443-R462 VanDerWaalsContact SG-O 3.33Å; D459-R462 HydrophobicContact CB-CB 4.44Å; D459-R462 HydrophobicContact CB-CG 4.03Å; D459-R462 PolarHBondContact O-N 3.12Å; P460-R462 PolarHBondContact O-N 2.9Å
463	M	90.2	Very high	88.1	Confident	14 Å²	14	60.6 Å²	60.6	7%	0.069	31%	0.31	C	S	.	.			trans	-64.2	133.2	178.4	-77	-66.7	-168.3	0	0	110.6	Y325 L328 F447 C455 P460 L465	Y325-M463 HydrophobicContact CD2-CG 4.19Å; Y325-M463 HydrophobicContact CE2-CE 3.65Å; Y325-M463 HydrophobicContact CE2-CG 3.89Å; L328-M463 HydrophobicContact CD2-CB 4.16Å; L328-M463 HydrophobicContact CD2-CG 4.09Å; L328-M463 HydrophobicContact CD2-SD 4.29Å; F447-M463 HydrophobicContact CD2-SD 4.45Å; C455-M463 VanDerWaalsContact C-CE 3.49Å; C455-M463 HydrophobicContact CB-CE 3.79Å; C455-M463 HydrophobicContact CB-SD 3.79Å; C455-M463 WeakPolarHBondContact O-CE 3.43Å; P460-M463 PolarHBondContact O-N 2.94Å; M463-L465 PolarHBondContact O-N 3.42Å
464	P	92	Very high	88	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.058	31%	0.311	C	S	.	.	S	Bend	trans	-78.4	-4.3	-174.5	31.2	-34.8	0	0	0	114.1	Y444 F447 F448	Y444-P464 HydrophobicContact CD2-CB 3.48Å; Y444-P464 VanDerWaalsContact CD2-CB 3.48Å; Y444-P464 HydrophobicContact CD2-CG 4.42Å; Y444-P464 HydrophobicContact CE2-CB 4.18Å; Y444-P464 HydrophobicContact CG-CB 4.31Å; F447-P464 HydrophobicContact CB-CG 3.62Å; F447-P464 HydrophobicContact CD1-CG 3.92Å; F447-P464 HydrophobicContact CD2-CG 3.73Å; F447-P464 HydrophobicContact CE2-CG 4.4Å; F447-P464 HydrophobicContact CG-CG 3.47Å; F447-P464 VanDerWaalsContact CG-CG 3.47Å; F448-P464 HydrophobicContact CE2-CB 4.04Å; F448-P464 HydrophobicContact CE2-CG 4.09Å
465	L	90.8	Very high	88	Confident	14 Å²	14	57.3 Å²	57.3	7%	0.073	29%	0.29	C	S	.	.			trans	-143.5	155.1	172.2	48.5	147.4	0	0	0	109.9	L328 F447 F448 M463 F468	L328-L465 HydrophobicContact CD1-CD1 3.52Å; L328-L465 HydrophobicContact CD1-CG 4.07Å; L328-L465 VanDerWaalsContact CD2-O 3.3Å; L328-L465 WeakPolarHBondContact CD2-O 3.38Å; F447-L465 HydrophobicContact CD1-CD2 3.87Å; F447-L465 HydrophobicContact CD2-CD2 4.28Å; F447-L465 HydrophobicContact CE1-CD2 3.21Å; F447-L465 HydrophobicContact CE1-CG 4.41Å; F447-L465 HydrophobicContact CE2-CD2 3.68Å; F447-L465 HydrophobicContact CE2-CG 4.38Å; F447-L465 HydrophobicContact CG-CD2 4.38Å; F447-L465 HydrophobicContact CZ-CD1 3.96Å; F447-L465 HydrophobicContact CZ-CD2 3.11Å; F447-L465 HydrophobicContact CZ-CG 3.92Å; F448-L465 HydrophobicContact CZ-CD2 4.06Å; M463-L465 PolarHBondContact O-N 3.42Å; L465-F468 HydrophobicContact CD1-CD1 3.91Å; L465-F468 HydrophobicContact CD1-CD2 4.02Å; L465-F468 HydrophobicContact CD1-CE1 3.85Å; L465-F468 HydrophobicContact CD1-CE2 3.96Å; L465-F468 HydrophobicContact CD1-CG 4.01Å; L465-F468 HydrophobicContact CD1-CZ 3.89Å
466	R	88	Confident	88.1	Confident	128 Å²	128	58.7 Å²	58.7	48%	0.483	30%	0.298	S	S	.	.	S	Bend	trans	-87.5	-19.3	172.4	-59.5	-59.5	-178.8	-176.3	1	112.9
467	G	90.8	Very high	88.6	Confident	20 Å²	20	56.3 Å²	56.3	21%	0.206	29%	0.286	C	S	.	.			trans	176	156.5	-179.6	0	0	0	0	0	109.5	Q331	Q331-G467 VanDerWaalsContact OE1-CA 3.23Å
468	F	93.2	Very high	89.2	Confident	17 Å²	17	47 Å²	47	8%	0.075	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-78.4	149.3	165.9	-63.8	-81.7	0	0	0	109.9	L328 Q331 L332 L335 F447 L465 I476 G477 V478 F484	L328-F468 HydrophobicContact CD1-CD2 4.19Å; L328-F468 HydrophobicContact CD1-CE2 4.09Å; Q331-F468 HydrophobicContact CB-CD2 4.1Å; Q331-F468 PolarHBondContact NE2-O 3.45Å; L332-F468 HydrophobicContact CD2-CE2 3.59Å; L332-F468 HydrophobicContact CD2-CZ 4.01Å; L332-F468 HydrophobicContact CG-CE2 4.23Å; L335-F468 HydrophobicContact CD2-CE2 4.11Å; L335-F468 HydrophobicContact CD2-CZ 3.93Å; F447-F468 HydrophobicContact CE1-CE1 4.46Å; F447-F468 HydrophobicContact CE1-CZ 4.15Å; F447-F468 HydrophobicContact CZ-CE1 4.36Å; F447-F468 HydrophobicContact CZ-CE2 4.4Å; F447-F468 AromaticContact CZ-CZ 3.7Å; F447-F468 HydrophobicContact CZ-CZ 3.7Å; L465-F468 HydrophobicContact CD1-CD1 3.91Å; L465-F468 HydrophobicContact CD1-CD2 4.02Å; L465-F468 HydrophobicContact CD1-CE1 3.85Å; L465-F468 HydrophobicContact CD1-CE2 3.96Å; L465-F468 HydrophobicContact CD1-CG 4.01Å; L465-F468 HydrophobicContact CD1-CZ 3.89Å; F468-I476 HydrophobicContact CB-CG2 3.67Å; F468-I476 HydrophobicContact CD1-CG2 3.7Å; F468-I476 HydrophobicContact CG-CG2 3.82Å; F468-G477 WeakPolarHBondContact CA-O 3.45Å; F468-V478 HydrophobicContact CD1-CG1 4.4Å; F468-V478 HydrophobicContact CE1-CG1 4.24Å; F468-F484 HydrophobicContact CD1-CD1 4.3Å; F468-F484 HydrophobicContact CE1-CB 4.48Å; F468-F484 AromaticContact CE1-CD1 3.46Å; F468-F484 HydrophobicContact CE1-CD1 3.46Å; F468-F484 VanDerWaalsContact CE1-CD1 3.46Å; F468-F484 AromaticContact CE1-CE1 3.93Å; F468-F484 HydrophobicContact CE1-CE1 3.93Å; F468-F484 HydrophobicContact CE1-CG 4.11Å; F468-F484 HydrophobicContact CZ-CD1 4.07Å; F468-F484 HydrophobicContact CZ-CE1 4.09Å
469	V	92.1	Very high	89.7	Confident	58 Å²	58	46.7 Å²	46.7	35%	0.352	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	151.4	172.1	-56.5	0	0	0	0	110.6	L471 G477 D479	V469-L471 HydrophobicContact CG2-CD2 4.23Å; V469-G477 PolarHBondContact N-O 3.47Å; V469-G477 PolarHBondContact O-N 3.38Å; V469-D479 VanDerWaalsContact CG2-C 3.42Å; V469-D479 WeakPolarHBondContact CG2-O 3.43Å
470	Q	89.8	Confident	90	Very high	91 Å²	91	52.5 Å²	52.5	43%	0.425	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.5	169.3	-175.5	169.7	14.4	0	0	108.2
471	L	90	Very high	90.2	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.068	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-71.7	157.5	178.3	-61.5	175.3	0	0	0	110.6	V469 C473 G474 G475 D479 E480 Y483	V469-L471 HydrophobicContact CG2-CD2 4.23Å; L471-C473 PolarHBondContact O-N 3.39Å; L471-C473 VanDerWaalsContact O-N 3.11Å; L471-G474 WeakPolarHBondContact O-CA 3.07Å; L471-G474 PolarHBondContact O-N 2.95Å; L471-G475 PolarHBondContact N-O 2.87Å; L471-D479 WeakPolarHBondContact CD2-O 3.43Å; L471-E480 VanDerWaalsContact CD2-O 3.26Å; L471-E480 WeakPolarHBondContact CD2-O 3.27Å; L471-Y483 VanDerWaalsContact CD1-CB 3.49Å
472	L	86.9	Confident	90.7	Very high	186 Å²	186	51 Å²	51	97%	0.974	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.9	177.6	-67.3	174.6	0	0	0	113.3	G474	L472-G474 PolarHBondContact O-N 3.09Å
473	C	88.9	Confident	91	Very high	8 Å²	8	43.5 Å²	43.5	5%	0.054	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.8	174.9	63.7	0	0	0	0	113.9	C394 V398 H400 L471 G475	C394-C473 HydrophobicContact CB-CB 3.79Å; C394-C473 WeakPolarHBondContact CB-O 3.41Å; C394-C473 VanDerWaalsContact CB-SG 3.54Å; V398-C473 HydrophobicContact CB-CB 3.8Å; V398-C473 HydrophobicContact CG2-CB 3.48Å; V398-C473 VanDerWaalsContact CG2-CB 3.48Å; H400-C473 VanDerWaalsContact CE1-SG 3.56Å; H400-C473 PolarHBondContact NE2-SG 3.45Å; L471-C473 PolarHBondContact O-N 3.39Å; L471-C473 VanDerWaalsContact O-N 3.11Å; C473-G475 VanDerWaalsContact C-N 3.32Å; C473-G475 PolarHBondContact SG-N 2.84Å; C473-G475 VanDerWaalsContact SG-N 3.38Å
474	G	86.8	Confident	91.2	Very high	28 Å²	28	43 Å²	43	29%	0.289	22%	0.224	S	C	.	.	S	Bend	trans	87.3	-0.9	-171.5	0	0	0	0	0	114.1	L471 L472	L471-G474 WeakPolarHBondContact O-CA 3.07Å; L471-G474 PolarHBondContact O-N 2.95Å; L472-G474 PolarHBondContact O-N 3.09Å
475	G	88.6	Confident	91.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.			trans	-71.3	179.1	171.6	0	0	0	0	0	113.3	L471 C473	L471-G475 PolarHBondContact N-O 2.87Å; C473-G475 VanDerWaalsContact C-N 3.32Å; C473-G475 PolarHBondContact SG-N 2.84Å; C473-G475 VanDerWaalsContact SG-N 3.38Å
476	I	91.2	Very high	90.9	Very high	30 Å²	30	43.2 Å²	43.2	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135	176.5	-56	177.1	0	0	0	107.7	L335 F468 Y483 F484	L335-I476 HydrophobicContact CD1-CD1 3.41Å; L335-I476 VanDerWaalsContact CD1-CD1 3.41Å; F468-I476 HydrophobicContact CB-CG2 3.67Å; F468-I476 HydrophobicContact CD1-CG2 3.7Å; F468-I476 HydrophobicContact CG-CG2 3.82Å; I476-Y483 CarbonylContact O-C 3.51Å; I476-Y483 VanDerWaalsContact O-CA 3.29Å; I476-Y483 WeakPolarHBondContact O-CA 3.45Å; I476-F484 PolarHBondContact O-N 3.46Å
477	G	93.5	Very high	90.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.4	174.2	0	0	0	0	0	112.3	F468 V469 D479 T482	F468-G477 WeakPolarHBondContact CA-O 3.45Å; V469-G477 PolarHBondContact N-O 3.47Å; V469-G477 PolarHBondContact O-N 3.38Å; G477-D479 VanDerWaalsContact C-N 3.32Å; G477-T482 CarbonylContact C-O 3.6Å; G477-T482 WeakPolarHBondContact CA-O 3.48Å
478	V	95.1	Very high	90.9	Very high	13 Å²	13	40.3 Å²	40.3	8%	0.079	22%	0.219	C	C	.	.	S	Bend	trans	-80.2	-23.1	164.7	-67.2	0	0	0	0	111.4	F448 F468 T482 F484 A531 F536	F448-V478 HydrophobicContact CE1-CG1 3.66Å; F448-V478 HydrophobicContact CZ-CG1 3.85Å; F468-V478 HydrophobicContact CD1-CG1 4.4Å; F468-V478 HydrophobicContact CE1-CG1 4.24Å; V478-T482 HydrophobicContact CG2-CG2 3.66Å; V478-T482 PolarHBondContact N-O 3.47Å; V478-F484 HydrophobicContact CG1-CB 3.93Å; V478-F484 HydrophobicContact CG1-CD2 4.36Å; V478-F484 HydrophobicContact CG1-CG 4.18Å; V478-A531 HydrophobicContact CG2-CB 4.11Å; V478-F536 HydrophobicContact CG1-CE1 4.31Å; V478-F536 HydrophobicContact CG2-CE1 4.22Å
479	D	93.3	Very high	91.1	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.171	22%	0.215	C	C	.	.	S	Bend	trans	-147.9	-166.6	169.6	60.5	18.6	0	0	0	108.9	V469 L471 G477 D481 T482 A532	V469-D479 VanDerWaalsContact CG2-C 3.42Å; V469-D479 WeakPolarHBondContact CG2-O 3.43Å; L471-D479 WeakPolarHBondContact CD2-O 3.43Å; G477-D479 VanDerWaalsContact C-N 3.32Å; D479-D481 VanDerWaalsContact C-N 3.28Å; D479-D481 PolarHBondContact O-N 2.87Å; D479-D481 PolarHBondContact OD1-N 2.7Å; D479-T482 VanDerWaalsContact OD1-CA 3.31Å; D479-T482 WeakPolarHBondContact OD1-CA 3.28Å; D479-T482 WeakPolarHBondContact OD1-CB 3.37Å; D479-T482 PolarHBondContact OD1-N 2.96Å; D479-T482 PolarHBondContact OD1-OG1 3.44Å; D479-T482 PolarHBondContact OD2-OG1 3.21Å; D479-A532 WeakPolarHBondContact OD2-CA 3.23Å
480	E	90.4	Very high	91.3	Very high	183 Å²	183	37.3 Å²	37.3	86%	0.855	20%	0.201	S	C	*	.	S	Bend	trans	-69.2	-16.9	-170.1	-61.3	-173.2	173.4	0	0	115	L471	L471-E480 VanDerWaalsContact CD2-O 3.26Å; L471-E480 WeakPolarHBondContact CD2-O 3.27Å
481	D	90	Very high	91.7	Very high	64 Å²	64	35.4 Å²	35.4	34%	0.342	19%	0.194	S	C	.	.	S	Bend	trans	-132.3	-20.4	-176.2	62.8	0.9	0	0	0	114.5	D479 Y483 F534	D479-D481 VanDerWaalsContact C-N 3.28Å; D479-D481 PolarHBondContact O-N 2.87Å; D479-D481 PolarHBondContact OD1-N 2.7Å; D481-Y483 PolarHBondContact O-N 3.33Å; D481-F534 HydrophobicContact CB-CE1 4.03Å; D481-F534 HydrophobicContact CB-CZ 4.42Å; D481-F534 VanDerWaalsContact O-CE1 3.29Å; D481-F534 WeakPolarHBondContact O-CE1 3.42Å
482	T	95.1	Very high	92.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.19	C	C	.	.			trans	-90	90.8	-179.2	-47.9	0	0	0	0	110.4	G477 V478 D479 A533 F534 F536	G477-T482 CarbonylContact C-O 3.6Å; G477-T482 WeakPolarHBondContact CA-O 3.48Å; V478-T482 HydrophobicContact CG2-CG2 3.66Å; V478-T482 PolarHBondContact N-O 3.47Å; D479-T482 VanDerWaalsContact OD1-CA 3.31Å; D479-T482 WeakPolarHBondContact OD1-CA 3.28Å; D479-T482 WeakPolarHBondContact OD1-CB 3.37Å; D479-T482 PolarHBondContact OD1-N 2.96Å; D479-T482 PolarHBondContact OD1-OG1 3.44Å; D479-T482 PolarHBondContact OD2-OG1 3.21Å; T482-A533 PolarHBondContact OG1-N 3.3Å; T482-A533 VanDerWaalsContact OG1-N 3.12Å; T482-F534 PolarHBondContact OG1-N 3.18Å; T482-F536 HydrophobicContact CG2-CE1 4.12Å; T482-F536 HydrophobicContact CG2-CE2 3.84Å; T482-F536 HydrophobicContact CG2-CZ 3.54Å
483	Y	94.7	Very high	92.6	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.016	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-65.5	146.7	177.3	68	-101.5	0	0	0	112	H390 C392 H400 E402 L471 I476 D481 R520 F536	H390-Y483 AromaticContact CD2-CE2 3.55Å; H390-Y483 AromaticContact CD2-CZ 3.72Å; H390-Y483 PolarHBondContact CD2-OH 2.93Å; H390-Y483 AromaticContact CE1-CD2 3.63Å; H390-Y483 AromaticContact CE1-CE2 3.29Å; H390-Y483 WeakPolarHBondContact CE1-CE2 3.43Å; H390-Y483 PolarHBondContact CE1-O 3.39Å; H390-Y483 VanDerWaalsContact CE1-O 3.27Å; H390-Y483 AromaticContact CG-CE2 3.88Å; H390-Y483 AromaticContact ND1-CE2 3.7Å; H390-Y483 AromaticContact NE2-CD2 3.79Å; H390-Y483 AromaticContact NE2-CE2 3.18Å; H390-Y483 WeakPolarHBondContact NE2-CE2 3.4Å; H390-Y483 AromaticContact NE2-CZ 3.56Å; H390-Y483 PolarHBondContact O-OH 3.28Å; C392-Y483 HydrophobicContact CB-CD1 3.96Å; C392-Y483 HydrophobicContact CB-CD2 3.74Å; C392-Y483 HydrophobicContact CB-CE1 4.4Å; C392-Y483 HydrophobicContact CB-CE2 4.22Å; C392-Y483 HydrophobicContact CB-CG 3.59Å; H400-Y483 HydrophobicContact CB-CE1 4.28Å; H400-Y483 AromaticContact ND1-CD1 3.69Å; E402-Y483 WeakPolarHBondContact O-CE1 3.39Å; E402-Y483 PolarHBondContact OE2-OH 3.41Å; L471-Y483 VanDerWaalsContact CD1-CB 3.49Å; I476-Y483 CarbonylContact O-C 3.51Å; I476-Y483 VanDerWaalsContact O-CA 3.29Å; I476-Y483 WeakPolarHBondContact O-CA 3.45Å; D481-Y483 PolarHBondContact O-N 3.33Å; Y483-R520 PolarHBondContact OH-NH2 3.32Å; Y483-F536 WeakPolarHBondContact O-CZ 3.28Å
484	F	94.4	Very high	93.1	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.018	15%	0.15	C	C	.	.			trans	-128.3	129.9	-179.9	-178.1	-102.2	0	0	0	111.4	L335 F448 P452 F468 I476 V478 D486 T489 F536	L335-F484 HydrophobicContact CD2-CD1 4.44Å; L335-F484 HydrophobicContact CD2-CE1 4.02Å; F448-F484 HydrophobicContact CD1-CD2 4.29Å; F448-F484 AromaticContact CD1-CE2 3.88Å; F448-F484 HydrophobicContact CD1-CE2 3.88Å; F448-F484 HydrophobicContact CE1-CD2 4.17Å; F448-F484 HydrophobicContact CE1-CE2 4.1Å; P452-F484 HydrophobicContact CG-CE1 3.81Å; P452-F484 HydrophobicContact CG-CZ 3.65Å; F468-F484 HydrophobicContact CD1-CD1 4.3Å; F468-F484 HydrophobicContact CE1-CB 4.48Å; F468-F484 AromaticContact CE1-CD1 3.46Å; F468-F484 HydrophobicContact CE1-CD1 3.46Å; F468-F484 VanDerWaalsContact CE1-CD1 3.46Å; F468-F484 AromaticContact CE1-CE1 3.93Å; F468-F484 HydrophobicContact CE1-CE1 3.93Å; F468-F484 HydrophobicContact CE1-CG 4.11Å; F468-F484 HydrophobicContact CZ-CD1 4.07Å; F468-F484 HydrophobicContact CZ-CE1 4.09Å; I476-F484 PolarHBondContact O-N 3.46Å; V478-F484 HydrophobicContact CG1-CB 3.93Å; V478-F484 HydrophobicContact CG1-CD2 4.36Å; V478-F484 HydrophobicContact CG1-CG 4.18Å; F484-D486 HydrophobicContact CE1-CB 3.91Å; F484-D486 HydrophobicContact CZ-CB 4.41Å; F484-T489 HydrophobicContact CD2-CG2 3.74Å; F484-T489 HydrophobicContact CE2-CG2 3.85Å; F484-F536 AromaticContact CD2-CE1 3.78Å; F484-F536 HydrophobicContact CD2-CE1 3.78Å; F484-F536 HydrophobicContact CD2-CZ 4.12Å; F484-F536 HydrophobicContact CE2-CE1 4.49Å
485	N	90.1	Very high	93.6	Very high	21 Å²	21	26.8 Å²	26.8	11%	0.112	14%	0.139	C	C	.	.			trans	-125.3	108.3	175.9	170.4	-3.5	0	0	0	109.2	E391 I393 G487 E488 T489	E391-N485 WeakPolarHBondContact O-CB 3.24Å; E391-N485 PolarHBondContact O-ND2 2.8Å; E391-N485 VanDerWaalsContact O-ND2 3.15Å; I393-N485 HydrophobicContact CD1-CB 4.19Å; I393-N485 WeakPolarHBondContact CD1-OD1 3.21Å; I393-N485 HydrophobicContact CG1-CB 4.24Å; N485-G487 PolarHBondContact O-N 3.3Å; N485-G487 VanDerWaalsContact O-N 3.07Å; N485-G487 WeakPolarHBondContact OD1-CA 3.25Å; N485-G487 PolarHBondContact OD1-N 2.65Å; N485-E488 PolarHBondContact O-N 3.19Å; N485-T489 WeakPolarHBondContact CA-OG1 3.19Å; N485-T489 PolarHBondContact N-OG1 3.45Å; N485-T489 WeakPolarHBondContact O-CB 3.29Å; N485-T489 PolarHBondContact O-N 2.8Å; N485-T489 PolarHBondContact O-OG1 3.36Å
486	D	86.4	Confident	94.1	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.9	-178.4	-171.3	45.8	0	0	0	114.9	L335 R339 P452 F484 Q490	L335-D486 HydrophobicContact CD1-CB 4.2Å; L335-D486 HydrophobicContact CD2-CB 3.69Å; L335-D486 HydrophobicContact CG-CB 3.8Å; R339-D486 PolarHBondContact NH1-O 3.13Å; R339-D486 IonicContact NH1-OD2 3.09Å; P452-D486 WeakPolarHBondContact CD-OD1 3.42Å; F484-D486 HydrophobicContact CE1-CB 3.91Å; F484-D486 HydrophobicContact CZ-CB 4.41Å; D486-Q490 PolarHBondContact O-OE1 2.7Å; D486-Q490 PolarHBondContact OD1-NE2 3.39Å
487	G	86.1	Confident	94.5	Very high	29 Å²	29	25.3 Å²	25.3	30%	0.299	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-42.3	173.1	0	0	0	0	0	113.4	N485	N485-G487 PolarHBondContact O-N 3.3Å; N485-G487 VanDerWaalsContact O-N 3.07Å; N485-G487 WeakPolarHBondContact OD1-CA 3.25Å; N485-G487 PolarHBondContact OD1-N 2.65Å
488	E	93.4	Very high	94.7	Very high	57 Å²	57	25.3 Å²	25.3	27%	0.266	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-18.5	-163	-65.1	-63.6	159.4	0	0	114.7	R389 N485 Q490 L491 S492	R389-E488 HydrophobicContact CB-CB 4.05Å; R389-E488 HydrophobicContact CB-CG 3.96Å; R389-E488 WeakPolarHBondContact CB-OE2 3.13Å; R389-E488 WeakPolarHBondContact CD-OE2 3.37Å; R389-E488 VanDerWaalsContact O-CB 3.3Å; R389-E488 WeakPolarHBondContact O-CB 3.35Å; N485-E488 PolarHBondContact O-N 3.19Å; E488-Q490 VanDerWaalsContact C-N 3.35Å; E488-Q490 PolarHBondContact O-N 3.04Å; E488-L491 PolarHBondContact O-N 3.34Å; E488-S492 WeakPolarHBondContact O-CB 3.4Å; E488-S492 PolarHBondContact O-N 2.66Å; E488-S492 PolarHBondContact O-OG 3.45Å
489	T	96.5	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-43.5	-175	-54.9	0	0	0	0	111.2	H390 F484 N485 L491 S492 A493 F536	H390-T489 PolarHBondContact CE1-OG1 2.85Å; H390-T489 WeakPolarHBondContact ND1-CB 3.21Å; H390-T489 WeakPolarHBondContact ND1-CG2 3.34Å; H390-T489 PolarHBondContact ND1-OG1 3.36Å; F484-T489 HydrophobicContact CD2-CG2 3.74Å; F484-T489 HydrophobicContact CE2-CG2 3.85Å; N485-T489 WeakPolarHBondContact CA-OG1 3.19Å; N485-T489 PolarHBondContact N-OG1 3.45Å; N485-T489 WeakPolarHBondContact O-CB 3.29Å; N485-T489 PolarHBondContact O-N 2.8Å; N485-T489 PolarHBondContact O-OG1 3.36Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-L491 PolarHBondContact O-N 2.88Å; T489-S492 PolarHBondContact O-N 3.02Å; T489-A493 VanDerWaalsContact O-CB 3.27Å; T489-A493 WeakPolarHBondContact O-CB 3.42Å; T489-A493 PolarHBondContact O-N 3.26Å; T489-F536 HydrophobicContact CG2-CD1 4.2Å; T489-F536 HydrophobicContact CG2-CD2 3.93Å; T489-F536 HydrophobicContact CG2-CE1 3.9Å; T489-F536 HydrophobicContact CG2-CE2 3.59Å; T489-F536 HydrophobicContact CG2-CG 4.21Å; T489-F536 HydrophobicContact CG2-CZ 3.58Å
490	Q	96.8	Very high	95.2	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.056	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-39.4	-178.1	-58.4	93.7	-40.8	0	0	112.1	F448 D486 E488 R494	F448-Q490 VanDerWaalsContact O-CA 3.26Å; F448-Q490 WeakPolarHBondContact O-CA 3.25Å; F448-Q490 WeakPolarHBondContact O-CB 3.38Å; F448-Q490 WeakPolarHBondContact O-CG 3.32Å; D486-Q490 PolarHBondContact O-OE1 2.7Å; D486-Q490 PolarHBondContact OD1-NE2 3.39Å; E488-Q490 VanDerWaalsContact C-N 3.35Å; E488-Q490 PolarHBondContact O-N 3.04Å; Q490-R494 WeakPolarHBondContact O-CB 3.49Å; Q490-R494 WeakPolarHBondContact O-CD 3.43Å; Q490-R494 WeakPolarHBondContact O-CG 3.22Å; Q490-R494 PolarHBondContact O-N 3.36Å
491	L	96.8	Very high	95.6	Very high	52 Å²	52	14.5 Å²	14.5	27%	0.272	8%	0.079	S	C	.	.	H	α-helix	trans	-65.2	-52.6	175.5	176.3	61.2	0	0	0	110.1	K430 E488 T489 A493 R494 M495	K430-L491 HydrophobicContact CD-CD1 3.83Å; K430-L491 HydrophobicContact CG-CD1 4.34Å; E488-L491 PolarHBondContact O-N 3.34Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-L491 PolarHBondContact O-N 2.88Å; L491-A493 PolarHBondContact O-N 3.02Å; L491-R494 PolarHBondContact O-N 3.18Å; L491-M495 HydrophobicContact CD1-CG 4.06Å; L491-M495 HydrophobicContact CG-CG 4.38Å; L491-M495 VanDerWaalsContact O-CG 3.27Å; L491-M495 WeakPolarHBondContact O-CG 3.24Å; L491-M495 PolarHBondContact O-N 3.02Å
492	S	98.3	Very high	96	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.3	-47.2	-176.7	-58.1	0	0	0	0	112.2	S386 H390 E488 T489 R494 M495 A496	S386-S492 PolarHBondContact O-OG 3.12Å; H390-S492 WeakPolarHBondContact CB-OG 3.37Å; H390-S492 PolarHBondContact N-OG 2.95Å; E488-S492 WeakPolarHBondContact O-CB 3.4Å; E488-S492 PolarHBondContact O-N 2.66Å; E488-S492 PolarHBondContact O-OG 3.45Å; T489-S492 PolarHBondContact O-N 3.02Å; S492-R494 VanDerWaalsContact C-N 3.3Å; S492-R494 PolarHBondContact O-N 3.22Å; S492-M495 WeakPolarHBondContact O-CB 3.42Å; S492-M495 PolarHBondContact O-N 2.96Å; S492-M495 VanDerWaalsContact O-N 3.15Å; S492-A496 PolarHBondContact O-N 2.96Å
493	A	98.5	Very high	96.1	Very high	3 Å²	3	12.7 Å²	12.7	3%	0.025	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-37.6	177.3	0	0	0	0	0	112.2	T489 L491 V497 F536 F537	T489-A493 VanDerWaalsContact O-CB 3.27Å; T489-A493 WeakPolarHBondContact O-CB 3.42Å; T489-A493 PolarHBondContact O-N 3.26Å; L491-A493 PolarHBondContact O-N 3.02Å; A493-V497 WeakPolarHBondContact O-CG2 3.26Å; A493-V497 PolarHBondContact O-N 3.41Å; A493-F536 HydrophobicContact CB-CB 4.08Å; A493-F537 HydrophobicContact CB-CD2 3.74Å; A493-F537 HydrophobicContact CB-CE2 3.97Å
494	R	98.5	Very high	96.3	Very high	38 Å²	38	12.6 Å²	12.6	14%	0.143	7%	0.069	C	C	.	.	H	α-helix	trans	-72.9	-30	175.9	-73.9	179.3	61.9	-180	2.2	113.7	K430 T431 I436 G449 Q490 L491 S492 G498 F537	K430-R494 HydrophobicContact CG-CB 3.74Å; T431-R494 WeakPolarHBondContact CB-O 3.48Å; T431-R494 HydrophobicContact CG2-CB 4.09Å; T431-R494 HydrophobicContact CG2-CG 4.2Å; T431-R494 WeakPolarHBondContact CG2-O 3.44Å; T431-R494 PolarHBondContact N-O 2.87Å; T431-R494 PolarHBondContact O-NE 3.13Å; T431-R494 PolarHBondContact O-NH2 3.28Å; I436-R494 HydrophobicContact CD1-CG 3.88Å; G449-R494 WeakPolarHBondContact O-CD 3.27Å; G449-R494 PolarHBondContact O-NH1 3.16Å; Q490-R494 WeakPolarHBondContact O-CB 3.49Å; Q490-R494 WeakPolarHBondContact O-CD 3.43Å; Q490-R494 WeakPolarHBondContact O-CG 3.22Å; Q490-R494 PolarHBondContact O-N 3.36Å; L491-R494 PolarHBondContact O-N 3.18Å; S492-R494 VanDerWaalsContact C-N 3.3Å; S492-R494 PolarHBondContact O-N 3.22Å; R494-G498 PolarHBondContact O-N 3.31Å; R494-G498 VanDerWaalsContact O-N 3.08Å; R494-F537 HydrophobicContact CG-CE2 4.21Å
495	M	98.7	Very high	96.5	Very high	12 Å²	12	13.2 Å²	13.2	6%	0.059	7%	0.072	C	C	.	.	H	α-helix	trans	-69.9	-44.1	173.7	-71.3	-62.5	-54.7	0	0	110.4	D384 S386 M387 K430 L491 S492 V497 G498 C499	D384-M495 HydrophobicContact CB-CE 3.77Å; D384-M495 VanDerWaalsContact CG-CE 3.42Å; D384-M495 VanDerWaalsContact OD2-CE 3.3Å; D384-M495 WeakPolarHBondContact OD2-CE 3.26Å; S386-M495 WeakPolarHBondContact OG-CG 3.33Å; M387-M495 HydrophobicContact CG-CB 3.71Å; M387-M495 HydrophobicContact SD-CB 4.46Å; K430-M495 WeakPolarHBondContact CA-SD 3.48Å; K430-M495 HydrophobicContact CB-SD 3.75Å; K430-M495 PolarHBondContact N-SD 3.41Å; L491-M495 HydrophobicContact CD1-CG 4.06Å; L491-M495 HydrophobicContact CG-CG 4.38Å; L491-M495 VanDerWaalsContact O-CG 3.27Å; L491-M495 WeakPolarHBondContact O-CG 3.24Å; L491-M495 PolarHBondContact O-N 3.02Å; S492-M495 WeakPolarHBondContact O-CB 3.42Å; S492-M495 PolarHBondContact O-N 2.96Å; S492-M495 VanDerWaalsContact O-N 3.15Å; M495-V497 PolarHBondContact O-N 3.45Å; M495-G498 PolarHBondContact O-N 3.32Å; M495-G498 VanDerWaalsContact O-N 3.16Å; M495-C499 VanDerWaalsContact O-CB 3.31Å; M495-C499 WeakPolarHBondContact O-CB 3.46Å; M495-C499 PolarHBondContact O-N 3.27Å; M495-C499 PolarHBondContact O-SG 3.33Å
496	A	98.8	Very high	96.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-54.7	-49.2	175.4	0	0	0	0	0	112.4	M387 S492 T500 V519	M387-A496 VanDerWaalsContact SD-CA 3.59Å; M387-A496 HydrophobicContact SD-CB 3.99Å; S492-A496 PolarHBondContact O-N 2.96Å; A496-T500 WeakPolarHBondContact O-CB 3.49Å; A496-T500 PolarHBondContact O-N 2.9Å; A496-T500 VanDerWaalsContact O-N 3.13Å; A496-T500 PolarHBondContact O-OG1 2.91Å; A496-V519 HydrophobicContact CB-CB 4.07Å
497	V	98.8	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-48.1	175.9	175	0	0	0	0	111.2	T431 I436 A493 M495 T500 V501 F537 N539 I542	T431-V497 HydrophobicContact CG2-CB 3.81Å; T431-V497 HydrophobicContact CG2-CG1 3.7Å; I436-V497 HydrophobicContact CG1-CG1 4.48Å; A493-V497 WeakPolarHBondContact O-CG2 3.26Å; A493-V497 PolarHBondContact O-N 3.41Å; M495-V497 PolarHBondContact O-N 3.45Å; V497-T500 PolarHBondContact O-N 2.92Å; V497-V501 HydrophobicContact CG1-CG2 4.12Å; V497-V501 WeakPolarHBondContact O-CB 3.37Å; V497-V501 VanDerWaalsContact O-CG2 3.27Å; V497-V501 WeakPolarHBondContact O-CG2 3.41Å; V497-V501 PolarHBondContact O-N 3.42Å; V497-F537 HydrophobicContact CG2-CB 3.53Å; V497-F537 HydrophobicContact CG2-CD2 4.14Å; V497-F537 HydrophobicContact CG2-CG 4.2Å; V497-N539 VanDerWaalsContact CG2-OD1 3.22Å; V497-N539 WeakPolarHBondContact CG2-OD1 3.37Å; V497-N539 PolarHBondContact N-OD1 3.2Å; V497-I542 HydrophobicContact CG1-CB 4.12Å; V497-I542 HydrophobicContact CG1-CD1 3.81Å; V497-I542 HydrophobicContact CG1-CG2 3.6Å; V497-I542 HydrophobicContact CG2-CD1 3.79Å
498	G	98.7	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-68.1	-40.6	-174.6	0	0	0	0	0	113.2	R429 R494 M495 T500 V501 D502	R429-G498 VanDerWaalsContact O-CA 3.31Å; R429-G498 WeakPolarHBondContact O-CA 3.38Å; R494-G498 PolarHBondContact O-N 3.31Å; R494-G498 VanDerWaalsContact O-N 3.08Å; M495-G498 PolarHBondContact O-N 3.32Å; M495-G498 VanDerWaalsContact O-N 3.16Å; G498-T500 VanDerWaalsContact C-N 3.33Å; G498-T500 PolarHBondContact O-N 3.29Å; G498-V501 PolarHBondContact O-N 3.24Å; G498-D502 WeakPolarHBondContact O-CB 2.93Å; G498-D502 PolarHBondContact O-N 2.64Å
499	C	98.8	Very high	98.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-54.7	-49.3	170.2	-72.9	0	0	0	0	111.3	V382 M495 L503 V519	V382-C499 HydrophobicContact CB-CB 4.44Å; V382-C499 HydrophobicContact CG1-CB 3.97Å; V382-C499 HydrophobicContact CG2-CB 3.54Å; V382-C499 VanDerWaalsContact CG2-SG 3.6Å; M495-C499 VanDerWaalsContact O-CB 3.31Å; M495-C499 WeakPolarHBondContact O-CB 3.46Å; M495-C499 PolarHBondContact O-N 3.27Å; M495-C499 PolarHBondContact O-SG 3.33Å; C499-L503 WeakPolarHBondContact O-CB 3.23Å; C499-L503 PolarHBondContact O-N 3.5Å; C499-V519 HydrophobicContact CB-CG1 3.63Å
500	T	98.9	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-48.3	-178.8	-54.1	0	0	0	0	111.9	A496 V497 G498 C504 N539 A543 V691	A496-T500 WeakPolarHBondContact O-CB 3.49Å; A496-T500 PolarHBondContact O-N 2.9Å; A496-T500 VanDerWaalsContact O-N 3.13Å; A496-T500 PolarHBondContact O-OG1 2.91Å; V497-T500 PolarHBondContact O-N 2.92Å; G498-T500 VanDerWaalsContact C-N 3.33Å; G498-T500 PolarHBondContact O-N 3.29Å; T500-C504 PolarHBondContact O-N 3.19Å; T500-C504 PolarHBondContact O-SG 2.9Å; T500-N539 HydrophobicContact CG2-CB 4.31Å; T500-A543 HydrophobicContact CG2-CB 3.9Å; T500-V691 HydrophobicContact CG2-CB 4.41Å; T500-V691 HydrophobicContact CG2-CG1 3.89Å; T500-V691 HydrophobicContact CG2-CG2 3.57Å
501	V	98.6	Very high	98	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-48.7	178.9	169.9	0	0	0	0	111.2	Y435 V497 G498 L503 C504 L505 I542 A543 A546	Y435-V501 HydrophobicContact CE1-CG1 4.13Å; Y435-V501 HydrophobicContact CE2-CG1 4.19Å; V497-V501 HydrophobicContact CG1-CG2 4.12Å; V497-V501 WeakPolarHBondContact O-CB 3.37Å; V497-V501 VanDerWaalsContact O-CG2 3.27Å; V497-V501 WeakPolarHBondContact O-CG2 3.41Å; V497-V501 PolarHBondContact O-N 3.42Å; G498-V501 PolarHBondContact O-N 3.24Å; V501-L503 VanDerWaalsContact C-N 3.34Å; V501-L503 PolarHBondContact O-N 3.13Å; V501-C504 PolarHBondContact O-N 2.99Å; V501-L505 HydrophobicContact CG1-CD1 3.73Å; V501-L505 HydrophobicContact CG1-CG 4.27Å; V501-L505 WeakPolarHBondContact O-CB 3.46Å; V501-L505 VanDerWaalsContact O-CG 3.26Å; V501-L505 WeakPolarHBondContact O-CG 3.48Å; V501-L505 PolarHBondContact O-N 3.47Å; V501-I542 HydrophobicContact CG2-CG2 3.9Å; V501-A543 HydrophobicContact CG2-CB 4.16Å; V501-A546 HydrophobicContact CG1-CB 4.07Å; V501-A546 HydrophobicContact CG2-CB 4.5Å
502	D	98.4	Very high	98	Very high	27 Å²	27	16.3 Å²	16.3	14%	0.144	11%	0.106	C	C	.	.	H	α-helix	trans	-68	-35	-175.8	-71	-19.4	0	0	0	111.5	R429 G498 L505 A506	R429-D502 VanDerWaalsContact CD-OD2 3.26Å; R429-D502 WeakPolarHBondContact CD-OD2 3.26Å; R429-D502 WeakPolarHBondContact CG-OD2 3.29Å; R429-D502 IonicContact CZ-OD1 3.94Å; R429-D502 IonicContact CZ-OD2 2.68Å; R429-D502 IonicContact NE-OD1 3.5Å; R429-D502 PolarHBondContact NE-OD1 3.12Å; R429-D502 VanDerWaalsContact NE-OD1 3.14Å; R429-D502 IonicContact NE-OD2 3.45Å; R429-D502 PolarHBondContact NE-OD2 3.2Å; R429-D502 IonicContact NH2-OD1 3.36Å; R429-D502 PolarHBondContact NH2-OD1 2.82Å; G498-D502 WeakPolarHBondContact O-CB 2.93Å; G498-D502 PolarHBondContact O-N 2.64Å; D502-L505 PolarHBondContact O-N 2.91Å; D502-A506 WeakPolarHBondContact O-CB 3.36Å; D502-A506 PolarHBondContact O-N 3.28Å
503	L	98.8	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-47.5	171.3	178.4	63.1	0	0	0	111.8	V382 I426 C499 V501 L505 A506 V507 F516 A517 V689	V382-L503 HydrophobicContact CG1-CB 3.97Å; V382-L503 HydrophobicContact CG1-CD2 3.95Å; V382-L503 HydrophobicContact CG1-CG 4.5Å; I426-L503 HydrophobicContact CG1-CD1 3.88Å; C499-L503 WeakPolarHBondContact O-CB 3.23Å; C499-L503 PolarHBondContact O-N 3.5Å; V501-L503 VanDerWaalsContact C-N 3.34Å; V501-L503 PolarHBondContact O-N 3.13Å; L503-L505 VanDerWaalsContact C-N 3.3Å; L503-L505 PolarHBondContact O-N 3.43Å; L503-A506 WeakPolarHBondContact O-CB 3.23Å; L503-A506 PolarHBondContact O-N 2.87Å; L503-A506 VanDerWaalsContact O-N 3.14Å; L503-V507 PolarHBondContact O-N 3.28Å; L503-F516 VanDerWaalsContact CD2-C 3.44Å; L503-A517 HydrophobicContact CD2-CB 4Å; L503-V689 HydrophobicContact CD2-CG1 3.66Å; L503-V689 HydrophobicContact CG-CG1 4.12Å; L503-V689 HydrophobicContact CG-CG2 4.28Å
504	C	98.7	Very high	98	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-42.2	177.6	-70.5	0	0	0	0	111.8	T500 V501 V507 A508 A543 L547 F646	T500-C504 PolarHBondContact O-N 3.19Å; T500-C504 PolarHBondContact O-SG 2.9Å; V501-C504 PolarHBondContact O-N 2.99Å; C504-V507 PolarHBondContact O-N 3.12Å; C504-A508 WeakPolarHBondContact O-CB 3.4Å; C504-A508 PolarHBondContact O-N 2.88Å; C504-A543 HydrophobicContact CB-CB 4.34Å; C504-L547 HydrophobicContact CB-CD1 4.08Å; C504-L547 HydrophobicContact CB-CD2 4.23Å; C504-L547 HydrophobicContact CB-CG 4.2Å; C504-F646 HydrophobicContact CB-CZ 4.23Å
505	L	97.9	Very high	98	Very high	17 Å²	17	17.7 Å²	17.7	9%	0.089	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-36.3	176.2	-67.6	172.8	0	0	0	112.2	V501 D502 L503 A508 N509 L547 K550 K551	V501-L505 HydrophobicContact CG1-CD1 3.73Å; V501-L505 HydrophobicContact CG1-CG 4.27Å; V501-L505 WeakPolarHBondContact O-CB 3.46Å; V501-L505 VanDerWaalsContact O-CG 3.26Å; V501-L505 WeakPolarHBondContact O-CG 3.48Å; V501-L505 PolarHBondContact O-N 3.47Å; D502-L505 PolarHBondContact O-N 2.91Å; L503-L505 VanDerWaalsContact C-N 3.3Å; L503-L505 PolarHBondContact O-N 3.43Å; L505-A508 PolarHBondContact O-N 3.46Å; L505-N509 VanDerWaalsContact O-CB 3.26Å; L505-N509 WeakPolarHBondContact O-CB 3.36Å; L505-N509 PolarHBondContact O-N 3.49Å; L505-N509 PolarHBondContact O-ND2 3.48Å; L505-N509 VanDerWaalsContact O-ND2 3.12Å; L505-L547 HydrophobicContact CD2-CD2 4.33Å; L505-K550 HydrophobicContact CD2-CB 4.27Å; L505-K551 VanDerWaalsContact CD2-CE 3.44Å; L505-K551 HydrophobicContact CD2-CG 4.29Å
506	A	97.6	Very high	98	Very high	12 Å²	12	17.1 Å²	17.1	10%	0.099	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-44.3	175.1	0	0	0	0	0	111.5	I426 D502 L503 N509 G510 S511	I426-A506 HydrophobicContact CD1-CB 4.29Å; D502-A506 WeakPolarHBondContact O-CB 3.36Å; D502-A506 PolarHBondContact O-N 3.28Å; L503-A506 WeakPolarHBondContact O-CB 3.23Å; L503-A506 PolarHBondContact O-N 2.87Å; L503-A506 VanDerWaalsContact O-N 3.14Å; A506-N509 PolarHBondContact O-N 3.04Å; A506-G510 PolarHBondContact O-N 3.46Å; A506-S511 WeakPolarHBondContact O-CB 3.47Å; A506-S511 PolarHBondContact O-N 2.92Å
507	V	98.3	Very high	98	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-46.9	175.1	172.9	0	0	0	0	111.5	L503 C504 N509 G510 T512 E513 F646 K687 V689	L503-V507 PolarHBondContact O-N 3.28Å; C504-V507 PolarHBondContact O-N 3.12Å; V507-N509 PolarHBondContact O-N 3.42Å; V507-G510 PolarHBondContact O-N 3.3Å; V507-T512 WeakPolarHBondContact CA-O 3.48Å; V507-T512 VanDerWaalsContact CG2-OG1 3.28Å; V507-T512 WeakPolarHBondContact CG2-OG1 3.07Å; V507-E513 VanDerWaalsContact CG1-O 3.26Å; V507-E513 WeakPolarHBondContact CG1-O 3.47Å; V507-F646 HydrophobicContact CB-CE2 3.89Å; V507-F646 HydrophobicContact CB-CZ 3.85Å; V507-F646 HydrophobicContact CG1-CE2 3.54Å; V507-F646 HydrophobicContact CG1-CZ 3.7Å; V507-K687 HydrophobicContact CG1-CB 3.85Å; V507-K687 HydrophobicContact CG1-CG 3.96Å; V507-V689 HydrophobicContact CB-CG2 4.2Å; V507-V689 HydrophobicContact CG2-CG2 3.74Å
508	A	98	Very high	98	Very high	7 Å²	7	17.1 Å²	17.1	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-27.9	179.8	0	0	0	0	0	113.2	C504 L505 G510 L547 K551 V554 F646	C504-A508 WeakPolarHBondContact O-CB 3.4Å; C504-A508 PolarHBondContact O-N 2.88Å; L505-A508 PolarHBondContact O-N 3.46Å; A508-G510 VanDerWaalsContact C-N 3.33Å; A508-L547 HydrophobicContact CB-CD2 3.55Å; A508-K551 HydrophobicContact CB-CD 4.04Å; A508-K551 HydrophobicContact CB-CG 3.84Å; A508-V554 HydrophobicContact CB-CG2 4.44Å; A508-F646 HydrophobicContact CB-CD2 4.31Å; A508-F646 HydrophobicContact CB-CE2 3.97Å
509	N	96.1	Very high	98	Very high	96 Å²	96	17.1 Å²	17.1	51%	0.513	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.7	173.7	-75.9	-23.9	0	0	0	114	L505 A506 V507 S511 K551	L505-N509 VanDerWaalsContact O-CB 3.26Å; L505-N509 WeakPolarHBondContact O-CB 3.36Å; L505-N509 PolarHBondContact O-N 3.49Å; L505-N509 PolarHBondContact O-ND2 3.48Å; L505-N509 VanDerWaalsContact O-ND2 3.12Å; A506-N509 PolarHBondContact O-N 3.04Å; V507-N509 PolarHBondContact O-N 3.42Å; N509-S511 PolarHBondContact O-N 3.28Å; N509-K551 VanDerWaalsContact OD1-CE 3.32Å; N509-K551 WeakPolarHBondContact OD1-CE 3.28Å; N509-K551 PolarHBondContact OD1-NZ 2.6Å
510	G	95.5	Very high	98	Very high	61 Å²	61	17.1 Å²	17.1	63%	0.629	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	18.6	-172.8	0	0	0	0	0	114	A506 V507 A508	A506-G510 PolarHBondContact O-N 3.46Å; V507-G510 PolarHBondContact O-N 3.3Å; A508-G510 VanDerWaalsContact C-N 3.33Å
511	S	95.3	Very high	97.9	Very high	61 Å²	61	17.2 Å²	17.2	43%	0.427	11%	0.112	S	C	.	.	S	Bend	trans	-73.8	-21.3	172.4	-61	0	0	0	0	112.9	K424 A506 N509	K424-S511 PolarHBondContact NZ-O 3.28Å; A506-S511 WeakPolarHBondContact O-CB 3.47Å; A506-S511 PolarHBondContact O-N 2.92Å; N509-S511 PolarHBondContact O-N 3.28Å
512	T	97.2	Very high	97.9	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.031	11%	0.113	C	C	.	.	S	Bend	trans	-143.7	155.6	168.6	48.9	0	0	0	0	106.9	T378 K424 I426 V507	T378-T512 CarbonylContact O-C 3.51Å; T378-T512 VanDerWaalsContact O-CA 3.23Å; T378-T512 WeakPolarHBondContact O-CA 3.34Å; T378-T512 VanDerWaalsContact O-CB 3.23Å; T378-T512 WeakPolarHBondContact O-CB 3.49Å; K424-T512 HydrophobicContact CB-CG2 4.13Å; K424-T512 HydrophobicContact CD-CG2 3.81Å; K424-T512 HydrophobicContact CG-CG2 4.31Å; I426-T512 HydrophobicContact CD1-CG2 4.01Å; V507-T512 WeakPolarHBondContact CA-O 3.48Å; V507-T512 VanDerWaalsContact CG2-OG1 3.28Å; V507-T512 WeakPolarHBondContact CG2-OG1 3.07Å
513	E	97.1	Very high	97.9	Very high	70 Å²	70	16 Å²	16	33%	0.327	11%	0.106	S	C	.	.	S	Bend	trans	-80.2	-39.6	178.6	-179.8	175.4	178.5	0	0	111.8	T378 V507 K687 H714	T378-E513 WeakPolarHBondContact CB-OE2 3.26Å; T378-E513 PolarHBondContact O-N 2.89Å; V507-E513 VanDerWaalsContact CG1-O 3.26Å; V507-E513 WeakPolarHBondContact CG1-O 3.47Å; E513-K687 WeakPolarHBondContact O-CA 3.3Å; E513-H714 IonicContact OE1-NE2 3.9Å; E513-H714 IonicContact OE2-NE2 2.74Å
514	N	98.7	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-176.7	-175.3	58.4	41.2	0	0	0	109.3	T379 G380 G686 V688 L712	T379-N514 WeakPolarHBondContact CA-OD1 3.24Å; T379-N514 VanDerWaalsContact CB-OD1 3.29Å; T379-N514 WeakPolarHBondContact CB-OD1 3.28Å; T379-N514 VanDerWaalsContact CG2-OD1 3.26Å; T379-N514 WeakPolarHBondContact CG2-OD1 3.04Å; T379-N514 PolarHBondContact OG1-OD1 3.34Å; G380-N514 PolarHBondContact N-O 2.84Å; N514-G686 WeakPolarHBondContact CB-O 3.45Å; N514-V688 CarbonylContact C-O 3.58Å; N514-V688 VanDerWaalsContact CA-O 3.26Å; N514-V688 WeakPolarHBondContact CA-O 3.4Å; N514-V688 VanDerWaalsContact CB-O 3.24Å; N514-V688 WeakPolarHBondContact CB-O 3.34Å; N514-L712 HydrophobicContact CB-CD2 3.79Å; N514-L712 PolarHBondContact ND2-O 3.38Å; N514-L712 PolarHBondContact OD1-O 2.99Å
515	G	98.7	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	178.9	172.2	0	0	0	0	0	118.1	G380 V688 V689 L690	G380-G515 CarbonylContact O-C 3.56Å; G380-G515 WeakPolarHBondContact O-CA 3.12Å; G515-V688 PolarHBondContact N-O 3.5Å; G515-V689 CarbonylContact O-C 3.45Å; G515-V689 WeakPolarHBondContact O-CA 3.47Å; G515-L690 PolarHBondContact O-N 2.99Å
516	F	98.9	Very high	97.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.2	178.6	-156.3	-60	0	0	0	111.5	G380 V381 V382 L503 I518 F653 L690 L692 V705 C708 L709 L712	G380-F516 PolarHBondContact O-N 2.72Å; V381-F516 WeakPolarHBondContact CA-O 3.18Å; V382-F516 PolarHBondContact N-O 3.1Å; V382-F516 VanDerWaalsContact N-O 3.09Å; L503-F516 VanDerWaalsContact CD2-C 3.44Å; F516-I518 HydrophobicContact CD1-CG1 3.74Å; F516-I518 HydrophobicContact CE1-CG1 4.12Å; F516-F653 HydrophobicContact CE2-CZ 4.2Å; F516-F653 AromaticContact CZ-CE2 3.97Å; F516-F653 HydrophobicContact CZ-CE2 3.97Å; F516-F653 AromaticContact CZ-CZ 3.99Å; F516-F653 HydrophobicContact CZ-CZ 3.99Å; F516-L690 CarbonylContact C-O 3.6Å; F516-L690 WeakPolarHBondContact CA-O 3.19Å; F516-L690 HydrophobicContact CD2-CB 3.62Å; F516-L690 HydrophobicContact CD2-CD2 3.77Å; F516-L690 HydrophobicContact CD2-CG 4.34Å; F516-L690 HydrophobicContact CE2-CB 3.73Å; F516-L690 HydrophobicContact CE2-CD2 3.56Å; F516-L690 HydrophobicContact CE2-CG 4.31Å; F516-L690 HydrophobicContact CG-CB 4.04Å; F516-L690 HydrophobicContact CZ-CB 4.2Å; F516-L692 HydrophobicContact CE1-CB 4.18Å; F516-V705 HydrophobicContact CD2-CG1 4.49Å; F516-V705 HydrophobicContact CE1-CG1 4.24Å; F516-V705 HydrophobicContact CE2-CG1 4.09Å; F516-V705 HydrophobicContact CE2-CG2 4.5Å; F516-V705 HydrophobicContact CZ-CB 4.44Å; F516-V705 HydrophobicContact CZ-CG1 3.99Å; F516-V705 HydrophobicContact CZ-CG2 3.95Å; F516-C708 HydrophobicContact CD2-CB 4.19Å; F516-C708 HydrophobicContact CE2-CB 3.87Å; F516-L709 HydrophobicContact CB-CD2 3.68Å; F516-L709 HydrophobicContact CB-CG 4.29Å; F516-L709 HydrophobicContact CD2-CG 4.28Å; F516-L709 HydrophobicContact CG-CD2 4.39Å; F516-L709 HydrophobicContact CG-CG 4.48Å; F516-L712 HydrophobicContact CB-CD1 4.13Å; F516-L712 HydrophobicContact CD2-CD1 4.26Å
517	A	98.9	Very high	97.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.2	171.4	0	0	0	0	0	111.3	V382 L503 V519 L690 V691 L692	V382-A517 HydrophobicContact CG1-CB 3.59Å; L503-A517 HydrophobicContact CD2-CB 4Å; A517-V519 VanDerWaalsContact C-N 3.33Å; A517-V519 HydrophobicContact CB-CG1 3.96Å; A517-V519 HydrophobicContact CB-CG2 4.46Å; A517-V519 PolarHBondContact O-N 3.13Å; A517-V519 VanDerWaalsContact O-N 3.12Å; A517-L690 PolarHBondContact N-O 3.42Å; A517-V691 HydrophobicContact CB-CG1 4.38Å; A517-V691 HydrophobicContact CB-CG2 4.42Å; A517-L692 PolarHBondContact O-N 3.01Å
518	I	98.7	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.116	C	C	.	.			trans	-87	80	176.7	-54.6	168.1	0	0	0	107.2	V381 V382 F383 M387 I407 I410 W411 L414 F516 L692	V381-I518 HydrophobicContact CG2-CD1 3.91Å; V381-I518 HydrophobicContact CG2-CG1 4.46Å; V382-I518 PolarHBondContact O-N 3.24Å; F383-I518 HydrophobicContact CB-CB 4.43Å; F383-I518 HydrophobicContact CD2-CB 4.27Å; F383-I518 HydrophobicContact CD2-CG2 4.02Å; M387-I518 WeakPolarHBondContact CE-O 3.31Å; I407-I518 HydrophobicContact CB-CG2 4.34Å; I407-I518 HydrophobicContact CG2-CG2 4.35Å; I410-I518 HydrophobicContact CB-CG2 4.43Å; I410-I518 HydrophobicContact CG2-CD1 4.27Å; I410-I518 HydrophobicContact CG2-CG2 3.96Å; W411-I518 HydrophobicContact CE3-CD1 3.82Å; W411-I518 HydrophobicContact CZ3-CD1 4.09Å; L414-I518 HydrophobicContact CD1-CD1 3.45Å; L414-I518 VanDerWaalsContact CD1-CD1 3.45Å; F516-I518 HydrophobicContact CD1-CG1 3.74Å; F516-I518 HydrophobicContact CE1-CG1 4.12Å; I518-L692 HydrophobicContact CG2-CD2 4.21Å
519	V	98.7	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.			trans	-114.8	155.8	-170.5	-65.5	0	0	0	0	112.6	M387 A496 C499 A517 V691	M387-V519 HydrophobicContact CE-CB 4.32Å; M387-V519 HydrophobicContact CE-CG1 4.04Å; M387-V519 HydrophobicContact SD-CB 3.79Å; M387-V519 HydrophobicContact SD-CG1 3.86Å; A496-V519 HydrophobicContact CB-CB 4.07Å; C499-V519 HydrophobicContact CB-CG1 3.63Å; A517-V519 VanDerWaalsContact C-N 3.33Å; A517-V519 HydrophobicContact CB-CG1 3.96Å; A517-V519 HydrophobicContact CB-CG2 4.46Å; A517-V519 PolarHBondContact O-N 3.13Å; A517-V519 VanDerWaalsContact O-N 3.12Å; V519-V691 HydrophobicContact CG2-CG1 3.67Å
520	R	98.2	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-154.4	155.1	163.8	70	177.3	-69.7	-105.7	10.6	109.9	M387 A388 H390 E402 N403 G404 I407 Y483	M387-R520 HydrophobicContact CB-CG 3.92Å; M387-R520 VanDerWaalsContact CB-O 3.28Å; M387-R520 WeakPolarHBondContact CB-O 3.35Å; M387-R520 WeakPolarHBondContact CG-O 3.38Å; M387-R520 WeakPolarHBondContact O-CG 3.34Å; M387-R520 PolarHBondContact O-NH1 3.06Å; M387-R520 PolarHBondContact SD-N 2.76Å; A388-R520 PolarHBondContact O-NH1 2.91Å; H390-R520 PolarHBondContact O-NH1 2.76Å; H390-R520 PolarHBondContact O-NH2 2.81Å; E402-R520 VanDerWaalsContact CD-NH2 3.35Å; E402-R520 IonicContact OE1-CZ 3.51Å; E402-R520 IonicContact OE1-NE 3.68Å; E402-R520 PolarHBondContact OE1-NE 3.13Å; E402-R520 IonicContact OE1-NH2 3.26Å; E402-R520 PolarHBondContact OE1-NH2 2.94Å; E402-R520 IonicContact OE2-CZ 3.93Å; E402-R520 IonicContact OE2-NE 3.14Å; E402-R520 IonicContact OE2-NH2 3.09Å; E402-R520 PolarHBondContact OE2-NH2 2.95Å; N403-R520 PolarHBondContact O-NE 3.47Å; G404-R520 VanDerWaalsContact CA-CZ 3.47Å; G404-R520 VanDerWaalsContact N-CZ 3.31Å; I407-R520 HydrophobicContact CD1-CG 3.65Å; I407-R520 HydrophobicContact CG1-CG 4.06Å; I407-R520 HydrophobicContact CG2-CB 4Å; I407-R520 HydrophobicContact CG2-CG 3.89Å; Y483-R520 PolarHBondContact OH-NH2 3.32Å
521	P	98.3	Very high	97.9	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.019	10%	0.1	C	C	.	.	S	Bend	cis	-61.3	158.9	-5.3	-20.7	33.9	0	0	0	113.1	F534 F536 N539	P521-F534 WeakPolarHBondContact CB-O 3.49Å; P521-F536 HydrophobicContact CB-CD2 4.09Å; P521-F536 HydrophobicContact CG-CD2 3.94Å; P521-F536 HydrophobicContact CG-CE2 4.34Å; P521-N539 PolarHBondContact O-ND2 2.93Å; P521-N539 VanDerWaalsContact O-ND2 3.13Å
522	P	98.6	Very high	97.9	Very high	3 Å²	3	16 Å²	16	2%	0.019	8%	0.084	C	C	.	.			trans	-61.9	172.3	171.6	29.1	-34.8	0	0	0	110.9	F534 C535 E693	P522-F534 HydrophobicContact CG-CB 3.89Å; P522-C535 VanDerWaalsContact O-CA 3.31Å; P522-C535 WeakPolarHBondContact O-CA 3.36Å; P522-C535 PolarHBondContact O-SG 3.36Å; P522-E693 VanDerWaalsContact CB-OE2 3.23Å; P522-E693 WeakPolarHBondContact CB-OE2 3.28Å
523	G	98.5	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.			trans	-134.2	-22.4	-174.8	0	0	0	0	0	117.3	M525 A526 C535 F537 N538 E693	G523-M525 PolarHBondContact O-N 3.29Å; G523-M525 VanDerWaalsContact O-N 3.08Å; G523-A526 WeakPolarHBondContact O-CB 3.33Å; G523-A526 PolarHBondContact O-N 3.26Å; G523-C535 VanDerWaalsContact C-SG 3.58Å; G523-C535 PolarHBondContact N-SG 2.75Å; G523-C535 VanDerWaalsContact N-SG 3.43Å; G523-F537 WeakPolarHBondContact CA-O 3.38Å; G523-N538 WeakPolarHBondContact O-CA 3.23Å; G523-N538 PolarHBondContact O-ND2 2.86Å; G523-E693 PolarHBondContact N-OE2 3.29Å
524	H	98.6	Very high	97.8	Very high	8 Å²	8	14.1 Å²	14.1	4%	0.037	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.7	-165.3	77.1	149.9	0	0	0	115.3	D561 D563 H565 G567 G569 L570 A650 E693	H524-D561 IonicContact ND1-OD1 3.57Å; H524-D561 IonicContact ND1-OD2 3.26Å; H524-D561 PolarHBondContact ND1-OD2 2.93Å; H524-D563 VanDerWaalsContact CE1-CB 3.43Å; H524-D563 WeakPolarHBondContact CE1-CB 3.32Å; H524-D563 IonicContact CE1-OD1 2.77Å; H524-D563 PolarHBondContact CE1-OD1 3.18Å; H524-D563 IonicContact CE1-OD2 2.7Å; H524-D563 IonicContact NE2-OD1 3.68Å; H524-D563 IonicContact NE2-OD2 3.44Å; H524-H565 PolarHBondContact CE1-O 3.08Å; H524-G567 CarbonylContact O-C 3.53Å; H524-G569 WeakPolarHBondContact O-CA 3.37Å; H524-G569 PolarHBondContact O-N 2.82Å; H524-L570 HydrophobicContact CB-CD1 3.62Å; H524-L570 HydrophobicContact CB-CG 4.14Å; H524-L570 PolarHBondContact O-N 2.89Å; H524-L570 VanDerWaalsContact O-N 3.12Å; H524-A650 HydrophobicContact CB-CB 4.49Å; H524-E693 HydrophobicContact CB-CG 4.32Å; H524-E693 IonicContact CD2-OE2 3.01Å; H524-E693 IonicContact CG-OE2 2.89Å; H524-E693 PolarHBondContact N-OE2 3.31Å
525	M	98	Very high	97.8	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.02	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.9	176.2	-66.7	-58.7	-72	0	0	114.2	G523 E527 A533 C535 K568 Y594 P595	G523-M525 PolarHBondContact O-N 3.29Å; G523-M525 VanDerWaalsContact O-N 3.08Å; M525-E527 PolarHBondContact O-N 2.68Å; M525-E527 VanDerWaalsContact O-N 3.16Å; M525-A533 HydrophobicContact CB-CB 4.31Å; M525-A533 HydrophobicContact CG-CB 4.05Å; M525-C535 HydrophobicContact CB-CB 3.99Å; M525-K568 HydrophobicContact CE-CB 4.14Å; M525-K568 HydrophobicContact SD-CB 4.27Å; M525-Y594 HydrophobicContact CE-CE1 3.85Å; M525-P595 HydrophobicContact CE-CB 3.61Å; M525-P595 HydrophobicContact CE-CG 3.73Å; M525-P595 HydrophobicContact SD-CG 4.41Å
526	A	98.4	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.			trans	-71.2	112.8	-177.2	0	0	0	0	0	110.8	G523 C535 N538 G569	G523-A526 WeakPolarHBondContact O-CB 3.33Å; G523-A526 PolarHBondContact O-N 3.26Å; A526-C535 HydrophobicContact CB-CB 3.84Å; A526-N538 HydrophobicContact CB-CB 4.26Å; A526-N538 PolarHBondContact O-ND2 3.41Å; A526-G569 WeakPolarHBondContact O-CA 3.35Å
527	E	97.8	Very high	97.8	Very high	31 Å²	31	14.3 Å²	14.3	15%	0.145	8%	0.077	C	C	.	.			trans	-77.5	168.6	175	-62	-175.5	-137.3	0	0	110.6	H440 M525 N529 Q530 K568 Q572	H440-E527 PolarHBondContact CE1-O 3.26Å; H440-E527 VanDerWaalsContact CE1-O 3.25Å; H440-E527 PolarHBondContact ND1-O 2.84Å; M525-E527 PolarHBondContact O-N 2.68Å; M525-E527 VanDerWaalsContact O-N 3.16Å; E527-N529 PolarHBondContact O-N 2.77Å; E527-Q530 HydrophobicContact CB-CB 4.04Å; E527-Q530 HydrophobicContact CG-CB 4.48Å; E527-Q530 PolarHBondContact N-O 2.93Å; E527-K568 WeakPolarHBondContact OE1-CE 3.32Å; E527-K568 IonicContact OE1-NZ 3.62Å; E527-K568 PolarHBondContact OE1-NZ 2.96Å; E527-K568 IonicContact OE2-NZ 3.34Å; E527-Q572 VanDerWaalsContact CB-OE1 3.24Å; E527-Q572 PolarHBondContact OE2-OE1 3Å
528	P	97.7	Very high	97.8	Very high	31 Å²	31	14.3 Å²	14.3	20%	0.201	8%	0.077	C	C	.	.	S	Bend	trans	-52.9	-31.5	179.1	-30.4	37.1	0	0	0	114.7	C439 H440 G441 Q572 I573	C439-P528 WeakPolarHBondContact O-CA 3.29Å; C439-P528 WeakPolarHBondContact O-CB 3.37Å; H440-P528 WeakPolarHBondContact CA-O 3.41Å; H440-P528 WeakPolarHBondContact CB-O 3.47Å; H440-P528 PolarHBondContact ND1-O 3.44Å; G441-P528 PolarHBondContact N-O 3.42Å; P528-Q572 VanDerWaalsContact CD-OE1 3.25Å; P528-I573 HydrophobicContact CG-CG1 4.02Å
529	N	96.4	Very high	97.8	Very high	91 Å²	91	14.4 Å²	14.4	49%	0.487	8%	0.078	S	C	.	.	S	Bend	trans	-138.2	17.7	-179.1	-63.6	-64.4	0	0	0	114.4	G441 Y444 E527	G441-N529 VanDerWaalsContact CA-OD1 3.25Å; G441-N529 WeakPolarHBondContact CA-OD1 3.37Å; G441-N529 PolarHBondContact N-OD1 3.47Å; Y444-N529 VanDerWaalsContact CD2-CA 3.46Å; Y444-N529 HydrophobicContact CD2-CB 4.45Å; Y444-N529 VanDerWaalsContact CD2-O 3.31Å; Y444-N529 WeakPolarHBondContact CD2-O 3.32Å; E527-N529 PolarHBondContact O-N 2.77Å
530	Q	96.5	Very high	97.8	Very high	79 Å²	79	14.4 Å²	14.4	37%	0.369	8%	0.078	S	C	.	.			trans	-137.9	126.8	-179.9	-177.3	64.1	57.6	0	0	110.5	E527	E527-Q530 HydrophobicContact CB-CB 4.04Å; E527-Q530 HydrophobicContact CG-CB 4.48Å; E527-Q530 PolarHBondContact N-O 2.93Å
531	A	97.2	Very high	97.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	8%	0.078	C	C	.	.			trans	-85.4	141.4	168.2	0	0	0	0	0	108.3	Y444 F448 V478 C535 F536	Y444-A531 HydrophobicContact CE2-CB 4.46Å; Y444-A531 WeakPolarHBondContact OH-CA 3.3Å; Y444-A531 WeakPolarHBondContact OH-CB 3.32Å; Y444-A531 PolarHBondContact OH-N 3.49Å; F448-A531 HydrophobicContact CE2-CB 4.06Å; F448-A531 HydrophobicContact CZ-CB 4.01Å; V478-A531 HydrophobicContact CG2-CB 4.11Å; A531-C535 VanDerWaalsContact CA-O 3.32Å; A531-C535 WeakPolarHBondContact CA-O 3.36Å; A531-C535 WeakPolarHBondContact CB-O 3.49Å; A531-F536 HydrophobicContact CB-CD1 4.16Å
532	A	95.3	Very high	97.8	Very high	11 Å²	11	14.3 Å²	14.3	9%	0.091	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-160	151.7	-179.8	0	0	0	0	0	111.2	D479 F534 C535	D479-A532 WeakPolarHBondContact OD2-CA 3.23Å; A532-F534 PolarHBondContact O-N 3.16Å; A532-C535 PolarHBondContact N-O 3.35Å; A532-C535 WeakPolarHBondContact O-CA 3.49Å; A532-C535 VanDerWaalsContact O-CB 3.31Å; A532-C535 WeakPolarHBondContact O-CB 3.31Å; A532-C535 PolarHBondContact O-N 3.37Å
533	A	94.7	Very high	97.9	Very high	13 Å²	13	14.2 Å²	14.2	11%	0.107	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	56.7	171.5	0	0	0	0	0	113.2	T482 M525 C535 Y594	T482-A533 PolarHBondContact OG1-N 3.3Å; T482-A533 VanDerWaalsContact OG1-N 3.12Å; M525-A533 HydrophobicContact CB-CB 4.31Å; M525-A533 HydrophobicContact CG-CB 4.05Å; A533-C535 PolarHBondContact O-N 3.34Å; A533-C535 VanDerWaalsContact O-N 3.1Å; A533-Y594 HydrophobicContact CB-CE1 3.73Å
534	F	97	Very high	97.9	Very high	21 Å²	21	14.2 Å²	14.2	9%	0.092	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-7.7	-177.7	-34.3	-61.3	0	0	0	115.9	I401 E402 D481 T482 P521 P522 A532 Y696	I401-F534 HydrophobicContact CD1-CE2 4.22Å; I401-F534 HydrophobicContact CD1-CZ 3.93Å; I401-F534 HydrophobicContact CG1-CE2 4.36Å; I401-F534 HydrophobicContact CG1-CZ 3.89Å; E402-F534 HydrophobicContact CB-CB 4.27Å; E402-F534 HydrophobicContact CB-CD1 3.8Å; E402-F534 HydrophobicContact CB-CD2 4.05Å; E402-F534 HydrophobicContact CB-CE1 4.14Å; E402-F534 HydrophobicContact CB-CE2 4.35Å; E402-F534 HydrophobicContact CB-CG 3.75Å; E402-F534 HydrophobicContact CB-CZ 4.4Å; E402-F534 HydrophobicContact CG-CB 3.9Å; E402-F534 HydrophobicContact CG-CD1 4.38Å; E402-F534 HydrophobicContact CG-CD2 4.22Å; E402-F534 HydrophobicContact CG-CG 3.9Å; D481-F534 HydrophobicContact CB-CE1 4.03Å; D481-F534 HydrophobicContact CB-CZ 4.42Å; D481-F534 VanDerWaalsContact O-CE1 3.29Å; D481-F534 WeakPolarHBondContact O-CE1 3.42Å; T482-F534 PolarHBondContact OG1-N 3.18Å; P521-F534 WeakPolarHBondContact CB-O 3.49Å; P522-F534 HydrophobicContact CG-CB 3.89Å; A532-F534 PolarHBondContact O-N 3.16Å; F534-Y696 HydrophobicContact CD2-CE1 4.27Å; F534-Y696 AromaticContact CD2-CZ 3.91Å; F534-Y696 WeakPolarHBondContact CD2-OH 3.49Å; F534-Y696 HydrophobicContact CE2-CE1 4.22Å; F534-Y696 HydrophobicContact CE2-CE2 4.41Å; F534-Y696 AromaticContact CE2-CZ 3.78Å; F534-Y696 WeakPolarHBondContact CE2-OH 3.49Å
535	C	98.5	Very high	97.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-90.8	126	-176.3	-59	0	0	0	0	113	P522 G523 M525 A526 A531 A532 A533	P522-C535 VanDerWaalsContact O-CA 3.31Å; P522-C535 WeakPolarHBondContact O-CA 3.36Å; P522-C535 PolarHBondContact O-SG 3.36Å; G523-C535 VanDerWaalsContact C-SG 3.58Å; G523-C535 PolarHBondContact N-SG 2.75Å; G523-C535 VanDerWaalsContact N-SG 3.43Å; M525-C535 HydrophobicContact CB-CB 3.99Å; A526-C535 HydrophobicContact CB-CB 3.84Å; A531-C535 VanDerWaalsContact CA-O 3.32Å; A531-C535 WeakPolarHBondContact CA-O 3.36Å; A531-C535 WeakPolarHBondContact CB-O 3.49Å; A532-C535 PolarHBondContact N-O 3.35Å; A532-C535 WeakPolarHBondContact O-CA 3.49Å; A532-C535 VanDerWaalsContact O-CB 3.31Å; A532-C535 WeakPolarHBondContact O-CB 3.31Å; A532-C535 PolarHBondContact O-N 3.37Å; A533-C535 PolarHBondContact O-N 3.34Å; A533-C535 VanDerWaalsContact O-N 3.1Å
536	F	98.5	Very high	97.9	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	8%	0.081	C	C	.	.	S	Bend	trans	-106.1	-41.1	174.9	-67.8	-82.1	0	0	0	113.3	H390 Y444 F448 V478 T482 Y483 F484 T489 A493 P521 A531	H390-F536 AromaticContact CE1-CE2 3.61Å; H390-F536 AromaticContact CE1-CZ 3.99Å; H390-F536 AromaticContact NE2-CE2 3.64Å; Y444-F536 WeakPolarHBondContact CE1-O 3.41Å; Y444-F536 VanDerWaalsContact CZ-O 3.29Å; Y444-F536 PolarHBondContact OH-O 3.12Å; F448-F536 AromaticContact CD1-CD1 3.48Å; F448-F536 HydrophobicContact CD1-CD1 3.48Å; F448-F536 VanDerWaalsContact CD1-CD1 3.48Å; F448-F536 AromaticContact CD1-CE1 3.87Å; F448-F536 HydrophobicContact CD1-CE1 3.87Å; F448-F536 AromaticContact CE1-CD1 3.73Å; F448-F536 HydrophobicContact CE1-CD1 3.73Å; F448-F536 AromaticContact CE1-CE1 3.77Å; F448-F536 HydrophobicContact CE1-CE1 3.77Å; F448-F536 HydrophobicContact CG-CD1 4.03Å; F448-F536 HydrophobicContact CZ-CD1 4.42Å; V478-F536 HydrophobicContact CG1-CE1 4.31Å; V478-F536 HydrophobicContact CG2-CE1 4.22Å; T482-F536 HydrophobicContact CG2-CE1 4.12Å; T482-F536 HydrophobicContact CG2-CE2 3.84Å; T482-F536 HydrophobicContact CG2-CZ 3.54Å; Y483-F536 WeakPolarHBondContact O-CZ 3.28Å; F484-F536 AromaticContact CD2-CE1 3.78Å; F484-F536 HydrophobicContact CD2-CE1 3.78Å; F484-F536 HydrophobicContact CD2-CZ 4.12Å; F484-F536 HydrophobicContact CE2-CE1 4.49Å; T489-F536 HydrophobicContact CG2-CD1 4.2Å; T489-F536 HydrophobicContact CG2-CD2 3.93Å; T489-F536 HydrophobicContact CG2-CE1 3.9Å; T489-F536 HydrophobicContact CG2-CE2 3.59Å; T489-F536 HydrophobicContact CG2-CG 4.21Å; T489-F536 HydrophobicContact CG2-CZ 3.58Å; A493-F536 HydrophobicContact CB-CB 4.08Å; P521-F536 HydrophobicContact CB-CD2 4.09Å; P521-F536 HydrophobicContact CG-CD2 3.94Å; P521-F536 HydrophobicContact CG-CE2 4.34Å; A531-F536 HydrophobicContact CB-CD1 4.16Å
537	F	98.8	Very high	97.9	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.013	8%	0.081	C	C	.	.	S	Bend	trans	-132.3	142.2	176.1	-65.3	-49.2	0	0	0	109.2	I436 H440 Y444 F448 A493 R494 V497 G523 N539 I542	I436-F537 HydrophobicContact CD1-CD2 4Å; I436-F537 HydrophobicContact CD1-CE1 4.42Å; I436-F537 HydrophobicContact CD1-CE2 3.67Å; I436-F537 HydrophobicContact CD1-CZ 3.89Å; I436-F537 HydrophobicContact CG2-CD1 3.45Å; I436-F537 VanDerWaalsContact CG2-CD1 3.45Å; I436-F537 HydrophobicContact CG2-CE1 3.36Å; I436-F537 HydrophobicContact CG2-CE2 4.46Å; I436-F537 HydrophobicContact CG2-CG 4.08Å; I436-F537 HydrophobicContact CG2-CZ 3.9Å; H440-F537 AromaticContact CD2-CD1 3.71Å; H440-F537 WeakPolarHBondContact NE2-CA 3.46Å; H440-F537 AromaticContact NE2-CD1 3.93Å; Y444-F537 HydrophobicContact CD1-CD1 4.4Å; Y444-F537 AromaticContact CD1-CE1 3.99Å; Y444-F537 HydrophobicContact CD1-CE1 3.99Å; Y444-F537 AromaticContact CE1-CD1 3.84Å; Y444-F537 HydrophobicContact CE1-CD1 3.84Å; Y444-F537 AromaticContact CE1-CE1 3.75Å; Y444-F537 HydrophobicContact CE1-CE1 3.75Å; F448-F537 HydrophobicContact CB-CE1 3.95Å; F448-F537 HydrophobicContact CB-CE2 4.34Å; F448-F537 HydrophobicContact CB-CZ 3.61Å; A493-F537 HydrophobicContact CB-CD2 3.74Å; A493-F537 HydrophobicContact CB-CE2 3.97Å; R494-F537 HydrophobicContact CG-CE2 4.21Å; V497-F537 HydrophobicContact CG2-CB 3.53Å; V497-F537 HydrophobicContact CG2-CD2 4.14Å; V497-F537 HydrophobicContact CG2-CG 4.2Å; G523-F537 WeakPolarHBondContact CA-O 3.38Å; F537-N539 PolarHBondContact O-N 2.86Å; F537-I542 HydrophobicContact CB-CD1 4.04Å
538	N	98.8	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.			trans	-80.1	88.5	-179.9	-162.7	-47.6	0	0	0	110.1	H440 G523 A526 V540 A541 I542 L570 I573	H440-N538 PolarHBondContact NE2-N 3.49Å; G523-N538 WeakPolarHBondContact O-CA 3.23Å; G523-N538 PolarHBondContact O-ND2 2.86Å; A526-N538 HydrophobicContact CB-CB 4.26Å; A526-N538 PolarHBondContact O-ND2 3.41Å; N538-V540 VanDerWaalsContact C-N 3.29Å; N538-V540 PolarHBondContact O-N 3.46Å; N538-A541 HydrophobicContact CB-CB 3.88Å; N538-A541 VanDerWaalsContact CG-CB 3.46Å; N538-A541 PolarHBondContact O-N 2.99Å; N538-A541 VanDerWaalsContact OD1-CB 3.22Å; N538-A541 WeakPolarHBondContact OD1-CB 3.34Å; N538-A541 PolarHBondContact OD1-N 3.28Å; N538-I542 WeakPolarHBondContact O-CB 3.44Å; N538-I542 WeakPolarHBondContact O-CD1 3.41Å; N538-I542 VanDerWaalsContact O-CG1 3.25Å; N538-I542 WeakPolarHBondContact O-CG1 3.28Å; N538-I542 PolarHBondContact O-N 2.66Å; N538-L570 PolarHBondContact ND2-N 2.92Å; N538-L570 VanDerWaalsContact OD1-CD2 3.28Å; N538-L570 WeakPolarHBondContact OD1-CD2 3.09Å; N538-I573 HydrophobicContact CB-CD1 3.83Å
539	N	98.9	Very high	97.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-52.5	-47.4	-175.5	-61.7	-39	0	0	0	111.8	V497 T500 P521 F537 A543 V691	V497-N539 VanDerWaalsContact CG2-OD1 3.22Å; V497-N539 WeakPolarHBondContact CG2-OD1 3.37Å; V497-N539 PolarHBondContact N-OD1 3.2Å; T500-N539 HydrophobicContact CG2-CB 4.31Å; P521-N539 PolarHBondContact O-ND2 2.93Å; P521-N539 VanDerWaalsContact O-ND2 3.13Å; F537-N539 PolarHBondContact O-N 2.86Å; N539-A543 WeakPolarHBondContact O-CB 3.39Å; N539-A543 PolarHBondContact O-N 3.15Å; N539-A543 VanDerWaalsContact O-N 3.13Å; N539-V691 HydrophobicContact CB-CG1 4.3Å
540	V	98.9	Very high	97.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68	-47.7	-178.7	170	0	0	0	0	111.2	N538 I542 A543 A544 I559 L570 I648 A650 V691	N538-V540 VanDerWaalsContact C-N 3.29Å; N538-V540 PolarHBondContact O-N 3.46Å; V540-I542 PolarHBondContact O-N 2.7Å; V540-A543 PolarHBondContact O-N 3.14Å; V540-A544 PolarHBondContact O-N 3.3Å; V540-I559 HydrophobicContact CG1-CD1 4Å; V540-I559 HydrophobicContact CG1-CG1 4.17Å; V540-I559 HydrophobicContact CG1-CG2 3.8Å; V540-L570 HydrophobicContact CB-CD1 4.41Å; V540-L570 HydrophobicContact CB-CD2 3.92Å; V540-L570 HydrophobicContact CG1-CD1 4.25Å; V540-L570 HydrophobicContact CG1-CD2 3.68Å; V540-I648 HydrophobicContact CB-CG2 4.36Å; V540-I648 HydrophobicContact CG1-CB 4.18Å; V540-I648 HydrophobicContact CG1-CG2 3.76Å; V540-I648 HydrophobicContact CG2-CG2 4.04Å; V540-A650 HydrophobicContact CG2-CB 4.34Å; V540-V691 HydrophobicContact CG2-CB 3.84Å; V540-V691 HydrophobicContact CG2-CG1 4.09Å; V540-V691 HydrophobicContact CG2-CG2 3.93Å
541	A	98.9	Very high	98	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-42.3	180	0	0	0	0	0	112.7	N538 A543 A544 H545 L570 I573 F574	N538-A541 HydrophobicContact CB-CB 3.88Å; N538-A541 VanDerWaalsContact CG-CB 3.46Å; N538-A541 PolarHBondContact O-N 2.99Å; N538-A541 VanDerWaalsContact OD1-CB 3.22Å; N538-A541 WeakPolarHBondContact OD1-CB 3.34Å; N538-A541 PolarHBondContact OD1-N 3.28Å; A541-A543 VanDerWaalsContact C-N 3.3Å; A541-A543 PolarHBondContact O-N 3.48Å; A541-A544 PolarHBondContact O-N 3.49Å; A541-H545 PolarHBondContact O-N 3.02Å; A541-L570 HydrophobicContact CB-CD2 4Å; A541-I573 HydrophobicContact CB-CB 4.44Å; A541-I573 HydrophobicContact CB-CD1 3.61Å; A541-I573 HydrophobicContact CB-CG2 4.06Å; A541-F574 HydrophobicContact CB-CE2 3.57Å; A541-F574 HydrophobicContact CB-CZ 3.85Å
542	I	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-41.5	177.4	-67	163.3	0	0	0	110.2	Y435 I436 C439 V497 V501 F537 N538 V540 A546	Y435-I542 VanDerWaalsContact O-CG2 3.29Å; Y435-I542 WeakPolarHBondContact O-CG2 3.22Å; I436-I542 HydrophobicContact CB-CD1 4.47Å; I436-I542 HydrophobicContact CG1-CD1 4.34Å; I436-I542 HydrophobicContact CG2-CD1 4.46Å; C439-I542 HydrophobicContact CB-CG1 3.94Å; C439-I542 VanDerWaalsContact SG-CG1 3.58Å; C439-I542 PolarHBondContact SG-N 3.28Å; C439-I542 VanDerWaalsContact SG-N 3.41Å; V497-I542 HydrophobicContact CG1-CB 4.12Å; V497-I542 HydrophobicContact CG1-CD1 3.81Å; V497-I542 HydrophobicContact CG1-CG2 3.6Å; V497-I542 HydrophobicContact CG2-CD1 3.79Å; V501-I542 HydrophobicContact CG2-CG2 3.9Å; F537-I542 HydrophobicContact CB-CD1 4.04Å; N538-I542 WeakPolarHBondContact O-CB 3.44Å; N538-I542 WeakPolarHBondContact O-CD1 3.41Å; N538-I542 VanDerWaalsContact O-CG1 3.25Å; N538-I542 WeakPolarHBondContact O-CG1 3.28Å; N538-I542 PolarHBondContact O-N 2.66Å; V540-I542 PolarHBondContact O-N 2.7Å; I542-A546 VanDerWaalsContact O-CB 3.25Å; I542-A546 WeakPolarHBondContact O-CB 3.46Å; I542-A546 PolarHBondContact O-N 2.99Å
543	A	98.9	Very high	97.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-42	176.3	0	0	0	0	0	112.5	T500 V501 C504 N539 V540 A541 A546 L547 I648	T500-A543 HydrophobicContact CG2-CB 3.9Å; V501-A543 HydrophobicContact CG2-CB 4.16Å; C504-A543 HydrophobicContact CB-CB 4.34Å; N539-A543 WeakPolarHBondContact O-CB 3.39Å; N539-A543 PolarHBondContact O-N 3.15Å; N539-A543 VanDerWaalsContact O-N 3.13Å; V540-A543 PolarHBondContact O-N 3.14Å; A541-A543 VanDerWaalsContact C-N 3.3Å; A541-A543 PolarHBondContact O-N 3.48Å; A543-A546 PolarHBondContact O-N 3.32Å; A543-L547 WeakPolarHBondContact O-CG 3.42Å; A543-L547 PolarHBondContact O-N 3.41Å; A543-I648 HydrophobicContact CB-CD1 4.18Å
544	A	98.9	Very high	98	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-47.7	175.7	0	0	0	0	0	112	V540 A541 A546 L547 L548 I557 I559 F574 I648	V540-A544 PolarHBondContact O-N 3.3Å; A541-A544 PolarHBondContact O-N 3.49Å; A544-A546 PolarHBondContact O-N 2.98Å; A544-L547 WeakPolarHBondContact O-CB 3.33Å; A544-L547 PolarHBondContact O-N 3.44Å; A544-L548 WeakPolarHBondContact O-CG 3.45Å; A544-L548 PolarHBondContact O-N 2.96Å; A544-I557 HydrophobicContact CB-CD1 4.03Å; A544-I557 HydrophobicContact CB-CG2 4.35Å; A544-I557 VanDerWaalsContact O-CD1 3.31Å; A544-I557 WeakPolarHBondContact O-CD1 3.25Å; A544-I559 HydrophobicContact CB-CD1 4.23Å; A544-F574 HydrophobicContact CB-CE1 4.5Å; A544-F574 HydrophobicContact CB-CE2 4.37Å; A544-F574 HydrophobicContact CB-CZ 3.76Å; A544-I648 HydrophobicContact CB-CD1 4.01Å
545	H	98.7	Very high	98	Very high	31 Å²	31	31.7 Å²	31.7	14%	0.144	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-39.1	174.8	-86.4	-51.2	0	0	0	112.7	L438 A541 L547 L548 Q549 F574	L438-H545 HydrophobicContact CB-CB 3.9Å; L438-H545 HydrophobicContact CD1-CB 3.93Å; L438-H545 HydrophobicContact CG-CB 4.44Å; A541-H545 PolarHBondContact O-N 3.02Å; H545-L547 VanDerWaalsContact C-N 3.31Å; H545-L547 PolarHBondContact O-N 3.25Å; H545-L548 PolarHBondContact O-N 3.11Å; H545-Q549 WeakPolarHBondContact O-CB 3.42Å; H545-Q549 WeakPolarHBondContact O-CG 3.32Å; H545-Q549 PolarHBondContact O-N 2.91Å; H545-F574 AromaticContact CD2-CE1 3.82Å; H545-F574 AromaticContact CE1-CE1 3.71Å; H545-F574 AromaticContact NE2-CE1 3.48Å; H545-F574 WeakPolarHBondContact NE2-CE1 3.41Å
546	A	98.4	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-39.8	175.4	0	0	0	0	0	112.1	Y435 L438 V501 I542 A543 A544 K550	Y435-A546 HydrophobicContact CD1-CB 3.79Å; Y435-A546 HydrophobicContact CE1-CB 3.55Å; L438-A546 HydrophobicContact CD1-CB 4.35Å; V501-A546 HydrophobicContact CG1-CB 4.07Å; V501-A546 HydrophobicContact CG2-CB 4.5Å; I542-A546 VanDerWaalsContact O-CB 3.25Å; I542-A546 WeakPolarHBondContact O-CB 3.46Å; I542-A546 PolarHBondContact O-N 2.99Å; A543-A546 PolarHBondContact O-N 3.32Å; A544-A546 PolarHBondContact O-N 2.98Å; A546-K550 VanDerWaalsContact O-CB 3.28Å; A546-K550 WeakPolarHBondContact O-CB 3.47Å; A546-K550 WeakPolarHBondContact O-CG 3.35Å; A546-K550 PolarHBondContact O-N 3.08Å
547	L	98.7	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-54	173.6	-74.9	171.8	0	0	0	111	C504 L505 A508 A543 A544 H545 Q549 K550 K551 V554 I557 F646 I648	C504-L547 HydrophobicContact CB-CD1 4.08Å; C504-L547 HydrophobicContact CB-CD2 4.23Å; C504-L547 HydrophobicContact CB-CG 4.2Å; L505-L547 HydrophobicContact CD2-CD2 4.33Å; A508-L547 HydrophobicContact CB-CD2 3.55Å; A543-L547 WeakPolarHBondContact O-CG 3.42Å; A543-L547 PolarHBondContact O-N 3.41Å; A544-L547 WeakPolarHBondContact O-CB 3.33Å; A544-L547 PolarHBondContact O-N 3.44Å; H545-L547 VanDerWaalsContact C-N 3.31Å; H545-L547 PolarHBondContact O-N 3.25Å; L547-Q549 PolarHBondContact O-N 2.98Å; L547-K550 PolarHBondContact O-N 3.44Å; L547-K551 HydrophobicContact CD2-CG 4.08Å; L547-K551 VanDerWaalsContact O-CB 3.32Å; L547-K551 WeakPolarHBondContact O-CB 3.42Å; L547-K551 PolarHBondContact O-N 2.97Å; L547-V554 HydrophobicContact CB-CG1 4.25Å; L547-I557 HydrophobicContact CB-CD1 3.74Å; L547-I557 HydrophobicContact CD1-CD1 3.97Å; L547-F646 HydrophobicContact CD1-CB 4.46Å; L547-F646 HydrophobicContact CD1-CD1 3.69Å; L547-F646 HydrophobicContact CD1-CD2 4.08Å; L547-F646 HydrophobicContact CD1-CE1 3.88Å; L547-F646 HydrophobicContact CD1-CE2 4.21Å; L547-F646 HydrophobicContact CD1-CG 3.81Å; L547-F646 HydrophobicContact CD1-CZ 4.13Å; L547-F646 HydrophobicContact CD2-CD2 4.43Å; L547-F646 HydrophobicContact CD2-CE2 4.3Å; L547-I648 HydrophobicContact CD1-CD1 4.09Å
548	L	98.5	Very high	98.1	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.141	17%	0.174	C	C	.	.	H	α-helix	trans	-57.2	-33.5	-179.9	-69.3	171.4	0	0	0	112.9	A544 H545 I557 R579 V580	A544-L548 WeakPolarHBondContact O-CG 3.45Å; A544-L548 PolarHBondContact O-N 2.96Å; H545-L548 PolarHBondContact O-N 3.11Å; L548-I557 HydrophobicContact CD1-CD1 4.42Å; L548-I557 HydrophobicContact CD2-CD1 4.04Å; L548-I557 HydrophobicContact CD2-CG1 4.2Å; L548-I557 HydrophobicContact CG-CD1 3.75Å; L548-I557 HydrophobicContact CG-CG1 4.43Å; L548-R579 HydrophobicContact CD1-CB 4.44Å; L548-R579 HydrophobicContact CD2-CB 4.33Å; L548-V580 HydrophobicContact CD1-CG2 3.87Å
549	Q	97.1	Very high	98.1	Very high	128 Å²	128	34.9 Å²	34.9	60%	0.598	17%	0.174	S	C	*	.	H	α-helix	trans	-82.3	-38.8	178.3	-73.5	-172.5	-7.9	0	0	113.8	L438 H545 L547	L438-Q549 VanDerWaalsContact CD2-OE1 3.3Å; H545-Q549 WeakPolarHBondContact O-CB 3.42Å; H545-Q549 WeakPolarHBondContact O-CG 3.32Å; H545-Q549 PolarHBondContact O-N 2.91Å; L547-Q549 PolarHBondContact O-N 2.98Å
550	K	96.7	Very high	98.1	Very high	97 Å²	97	34.8 Å²	34.8	42%	0.422	17%	0.173	S	C	.	.	H	α-helix	trans	-100.1	-10.8	-170	-62.6	-163.8	175	-164.6	0	114.3	Y435 L505 A546 L547	Y435-K550 HydrophobicContact CE1-CD 4.13Å; Y435-K550 WeakPolarHBondContact OH-CD 3.26Å; Y435-K550 WeakPolarHBondContact OH-CE 3.42Å; Y435-K550 PolarHBondContact OH-NZ 3.37Å; L505-K550 HydrophobicContact CD2-CB 4.27Å; A546-K550 VanDerWaalsContact O-CB 3.28Å; A546-K550 WeakPolarHBondContact O-CB 3.47Å; A546-K550 WeakPolarHBondContact O-CG 3.35Å; A546-K550 PolarHBondContact O-N 3.08Å; L547-K550 PolarHBondContact O-N 3.44Å
551	K	97.2	Very high	98.1	Very high	33 Å²	33	34.8 Å²	34.8	14%	0.143	17%	0.173	C	C	.	.			trans	-126.5	99.8	-174.5	-56.3	-63.8	165.7	-156.8	0	110.4	L505 A508 N509 L547 N553 V554	L505-K551 VanDerWaalsContact CD2-CE 3.44Å; L505-K551 HydrophobicContact CD2-CG 4.29Å; A508-K551 HydrophobicContact CB-CD 4.04Å; A508-K551 HydrophobicContact CB-CG 3.84Å; N509-K551 VanDerWaalsContact OD1-CE 3.32Å; N509-K551 WeakPolarHBondContact OD1-CE 3.28Å; N509-K551 PolarHBondContact OD1-NZ 2.6Å; L547-K551 HydrophobicContact CD2-CG 4.08Å; L547-K551 VanDerWaalsContact O-CB 3.32Å; L547-K551 WeakPolarHBondContact O-CB 3.42Å; L547-K551 PolarHBondContact O-N 2.97Å; K551-N553 PolarHBondContact O-N 3.24Å; K551-N553 VanDerWaalsContact O-N 3.13Å; K551-V554 HydrophobicContact CB-CB 4.05Å; K551-V554 HydrophobicContact CB-CG2 3.88Å; K551-V554 PolarHBondContact O-N 3.28Å
552	S	94.8	Very high	98.1	Very high	113 Å²	113	34.8 Å²	34.8	79%	0.79	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.6	177.9	53.9	0	0	0	0	113.8
553	N	94	Very high	98.1	Very high	78 Å²	78	34.8 Å²	34.8	42%	0.417	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.4	175.5	64.7	-61.6	0	0	0	114.1	K551	K551-N553 PolarHBondContact O-N 3.24Å; K551-N553 VanDerWaalsContact O-N 3.13Å
554	V	98.4	Very high	98.1	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	17%	0.173	C	C	.	.			trans	-116.6	105.2	175.4	-179.7	0	0	0	0	108.1	A508 L547 K551 I557 D645 F646	A508-V554 HydrophobicContact CB-CG2 4.44Å; L547-V554 HydrophobicContact CB-CG1 4.25Å; K551-V554 HydrophobicContact CB-CB 4.05Å; K551-V554 HydrophobicContact CB-CG2 3.88Å; K551-V554 PolarHBondContact O-N 3.28Å; V554-I557 HydrophobicContact CG1-CD1 3.85Å; V554-I557 HydrophobicContact CG1-CG1 3.59Å; V554-D645 HydrophobicContact CG1-CB 4.32Å; V554-F646 HydrophobicContact CG1-CB 3.92Å; V554-F646 HydrophobicContact CG2-CD2 4.47Å
555	K	98.3	Very high	98.1	Very high	147 Å²	147	35.8 Å²	35.8	64%	0.639	18%	0.178	S	C	*	.			trans	-113.4	-28.9	-177.4	-62	176.9	-177.2	174.1	0	112.3	R579 D645	K555-R579 WeakPolarHBondContact O-CB 3.48Å; K555-D645 WeakPolarHBondContact CA-OD2 3.37Å; K555-D645 WeakPolarHBondContact CB-OD2 3.3Å; K555-D645 PolarHBondContact N-OD2 3.48Å
556	K	98.8	Very high	98.1	Very high	71 Å²	71	34.3 Å²	34.3	31%	0.309	17%	0.171	S	C	.	.			trans	-124.7	126.6	177.6	-70.6	-177.2	-65.5	171.2	0	110.1	R579 F642 Q643 D645 F646	K556-R579 VanDerWaalsContact CA-O 3.32Å; K556-R579 WeakPolarHBondContact CA-O 3.29Å; K556-F642 HydrophobicContact CB-CE1 3.89Å; K556-F642 HydrophobicContact CB-CE2 4.28Å; K556-F642 HydrophobicContact CB-CZ 3.64Å; K556-F642 HydrophobicContact CD-CD2 4.41Å; K556-F642 HydrophobicContact CD-CE2 4.06Å; K556-F642 HydrophobicContact CD-CZ 4.28Å; K556-F642 WeakPolarHBondContact CD-O 3.3Å; K556-F642 WeakPolarHBondContact CE-O 3.27Å; K556-F642 HydrophobicContact CG-CE2 4.19Å; K556-F642 HydrophobicContact CG-CZ 4.03Å; K556-F642 PolarHBondContact NZ-O 3.36Å; K556-Q643 WeakPolarHBondContact CE-O 3.32Å; K556-Q643 PolarHBondContact NZ-O 3.32Å; K556-D645 PolarHBondContact N-OD2 3.01Å; K556-D645 PolarHBondContact O-N 3Å; K556-F646 PolarHBondContact O-N 3.22Å
557	I	98.9	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131	177.9	-59.1	-179.7	0	0	0	108.2	A544 L547 L548 V554 I559 R579 V580 L581 F642 F646 I648	A544-I557 HydrophobicContact CB-CD1 4.03Å; A544-I557 HydrophobicContact CB-CG2 4.35Å; A544-I557 VanDerWaalsContact O-CD1 3.31Å; A544-I557 WeakPolarHBondContact O-CD1 3.25Å; L547-I557 HydrophobicContact CB-CD1 3.74Å; L547-I557 HydrophobicContact CD1-CD1 3.97Å; L548-I557 HydrophobicContact CD1-CD1 4.42Å; L548-I557 HydrophobicContact CD2-CD1 4.04Å; L548-I557 HydrophobicContact CD2-CG1 4.2Å; L548-I557 HydrophobicContact CG-CD1 3.75Å; L548-I557 HydrophobicContact CG-CG1 4.43Å; V554-I557 HydrophobicContact CG1-CD1 3.85Å; V554-I557 HydrophobicContact CG1-CG1 3.59Å; I557-I559 HydrophobicContact CG2-CG1 4.33Å; I557-R579 PolarHBondContact N-O 3.27Å; I557-V580 VanDerWaalsContact O-CA 3.3Å; I557-V580 WeakPolarHBondContact O-CA 3.31Å; I557-L581 PolarHBondContact O-N 2.77Å; I557-F642 WeakPolarHBondContact O-CE1 3.41Å; I557-F646 WeakPolarHBondContact CA-O 3.38Å; I557-F646 HydrophobicContact CG1-CB 4.37Å; I557-I648 HydrophobicContact CG2-CD1 4.4Å; I557-I648 HydrophobicContact CG2-CG1 4.3Å
558	A	98.9	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131	166.2	0	0	0	0	0	109.2	L581 L639 F642 P644 F646 I647 I648	A558-L581 CarbonylContact C-O 3.57Å; A558-L581 WeakPolarHBondContact CA-O 2.96Å; A558-L581 HydrophobicContact CB-CD2 4.43Å; A558-L639 HydrophobicContact CB-CD2 3.55Å; A558-F642 HydrophobicContact CB-CD1 4.31Å; A558-F642 HydrophobicContact CB-CE1 4.24Å; A558-P644 HydrophobicContact CB-CB 3.87Å; A558-P644 HydrophobicContact CB-CG 4.07Å; A558-F646 PolarHBondContact N-O 2.9Å; A558-I647 HydrophobicContact CB-CG1 4.24Å; A558-I647 VanDerWaalsContact O-CA 3.32Å; A558-I647 WeakPolarHBondContact O-CA 3.4Å; A558-I648 PolarHBondContact O-N 3.41Å
559	I	99	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.7	169.7	-61.2	173.2	0	0	0	106.9	V540 A544 I557 L570 F574 V580 L581 Y582 L583 I648	V540-I559 HydrophobicContact CG1-CD1 4Å; V540-I559 HydrophobicContact CG1-CG1 4.17Å; V540-I559 HydrophobicContact CG1-CG2 3.8Å; A544-I559 HydrophobicContact CB-CD1 4.23Å; I557-I559 HydrophobicContact CG2-CG1 4.33Å; I559-L570 HydrophobicContact CD1-CD2 4.09Å; I559-L570 HydrophobicContact CG2-CD1 4.03Å; I559-L570 HydrophobicContact CG2-CD2 4.36Å; I559-F574 HydrophobicContact CD1-CD2 3.73Å; I559-F574 HydrophobicContact CD1-CE2 3.44Å; I559-F574 VanDerWaalsContact CD1-CE2 3.44Å; I559-F574 HydrophobicContact CD1-CZ 4.26Å; I559-V580 HydrophobicContact CD1-CG1 3.56Å; I559-V580 HydrophobicContact CG1-CG1 3.96Å; I559-L581 PolarHBondContact N-O 3.45Å; I559-Y582 HydrophobicContact CB-CD2 4.1Å; I559-Y582 HydrophobicContact CG2-CD2 3.81Å; I559-Y582 HydrophobicContact CG2-CE2 4.15Å; I559-L583 PolarHBondContact O-N 3.08Å; I559-I648 VanDerWaalsContact CA-O 3.25Å; I559-I648 WeakPolarHBondContact CA-O 3.21Å
560	V	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.5	175.9	-178.7	0	0	0	0	107.9	L583 F631 I647 I648 V649 A650 L680	V560-L583 CarbonylContact C-O 3.57Å; V560-L583 HydrophobicContact CG2-CB 4.48Å; V560-L583 HydrophobicContact CG2-CD1 4.26Å; V560-F631 HydrophobicContact CG1-CZ 4.41Å; V560-I647 HydrophobicContact CG2-CG2 4.27Å; V560-I648 PolarHBondContact N-O 2.96Å; V560-V649 CarbonylContact O-C 3.6Å; V560-V649 WeakPolarHBondContact O-CA 3.23Å; V560-V649 WeakPolarHBondContact O-CG1 3.33Å; V560-A650 PolarHBondContact O-N 3.26Å; V560-L680 HydrophobicContact CB-CD1 4.3Å; V560-L680 HydrophobicContact CG1-CD1 4.3Å; V560-L680 HydrophobicContact CG2-CD1 4.38Å; V560-L680 HydrophobicContact CG2-CD2 3.97Å
561	D	98.9	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	106.1	-176.8	-170.5	-5.9	0	0	0	109.2	H524 D563 G567 Y582 L583 S584 L585 A650	H524-D561 IonicContact ND1-OD1 3.57Å; H524-D561 IonicContact ND1-OD2 3.26Å; H524-D561 PolarHBondContact ND1-OD2 2.93Å; D561-D563 VanDerWaalsContact OD1-CB 3.29Å; D561-D563 WeakPolarHBondContact OD1-CB 3.48Å; D561-D563 PolarHBondContact OD1-N 3.38Å; D561-G567 WeakPolarHBondContact OD2-CA 3.47Å; D561-G567 PolarHBondContact OD2-N 2.83Å; D561-Y582 HydrophobicContact CB-CE2 3.7Å; D561-Y582 PolarHBondContact OD2-OH 3.23Å; D561-L583 PolarHBondContact N-O 3.27Å; D561-S584 CarbonylContact O-C 3.59Å; D561-S584 VanDerWaalsContact O-CA 3.29Å; D561-S584 WeakPolarHBondContact O-CA 3.31Å; D561-L585 PolarHBondContact O-N 2.83Å; D561-A650 HydrophobicContact CB-CB 3.93Å
562	W	98.8	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.			trans	-107.6	10.7	178	64.6	45.1	0	0	0	112.5	F631 V649 A650 A651 G652 F673 M676 T677 L680 L690	W562-F631 HydrophobicContact CE3-CZ 4.38Å; W562-V649 HydrophobicContact CD2-CG1 3.7Å; W562-V649 HydrophobicContact CE3-CG1 3.71Å; W562-V649 HydrophobicContact CH2-CG1 3.6Å; W562-V649 HydrophobicContact CZ2-CG1 3.58Å; W562-V649 HydrophobicContact CZ3-CG1 3.67Å; W562-A650 PolarHBondContact N-O 2.9Å; W562-A651 HydrophobicContact CZ2-CB 4.01Å; W562-A651 VanDerWaalsContact NE1-CA 3.34Å; W562-G652 PolarHBondContact NE1-O 3.15Å; W562-F673 AromaticContact CD1-CE1 3.97Å; W562-F673 HydrophobicContact CD2-CD1 4.42Å; W562-F673 AromaticContact CE2-CD1 3.94Å; W562-F673 HydrophobicContact CG-CE1 4.5Å; W562-F673 HydrophobicContact CZ2-CD1 4.33Å; W562-F673 AromaticContact NE1-CD1 3.75Å; W562-F673 AromaticContact NE1-CE1 3.93Å; W562-M676 HydrophobicContact CD2-CE 3.96Å; W562-M676 HydrophobicContact CE3-CB 4.1Å; W562-M676 HydrophobicContact CE3-CE 3.81Å; W562-M676 HydrophobicContact CE3-SD 4.17Å; W562-M676 HydrophobicContact CG-CE 4.3Å; W562-M676 HydrophobicContact CH2-CB 4.46Å; W562-M676 HydrophobicContact CZ3-CB 3.68Å; W562-M676 HydrophobicContact CZ3-CE 4.29Å; W562-T677 WeakPolarHBondContact CH2-OG1 3.42Å; W562-L680 HydrophobicContact CZ3-CD1 3.93Å; W562-L690 HydrophobicContact CH2-CD2 4.06Å; W562-L690 HydrophobicContact CH2-CG 4.37Å; W562-L690 HydrophobicContact CZ2-CD2 3.95Å; W562-L690 HydrophobicContact CZ2-CG 4.36Å
563	D	98.8	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-56.7	141.9	167	-166.1	-69.2	0	0	0	109.2	H524 D561 H565 G652 G694	H524-D563 VanDerWaalsContact CE1-CB 3.43Å; H524-D563 WeakPolarHBondContact CE1-CB 3.32Å; H524-D563 IonicContact CE1-OD1 2.77Å; H524-D563 PolarHBondContact CE1-OD1 3.18Å; H524-D563 IonicContact CE1-OD2 2.7Å; H524-D563 IonicContact NE2-OD1 3.68Å; H524-D563 IonicContact NE2-OD2 3.44Å; D561-D563 VanDerWaalsContact OD1-CB 3.29Å; D561-D563 WeakPolarHBondContact OD1-CB 3.48Å; D561-D563 PolarHBondContact OD1-N 3.38Å; D563-H565 PolarHBondContact O-N 3.21Å; D563-H565 VanDerWaalsContact O-N 3.17Å; D563-H565 WeakPolarHBondContact OD1-CB 3.44Å; D563-H565 IonicContact OD1-CG 3.19Å; D563-H565 PolarHBondContact OD1-N 3.16Å; D563-H565 IonicContact OD1-ND1 2.69Å; D563-H565 PolarHBondContact OD1-ND1 3.23Å; D563-H565 VanDerWaalsContact OD1-ND1 3.09Å; D563-G652 VanDerWaalsContact OD2-CA 3.27Å; D563-G652 WeakPolarHBondContact OD2-CA 3.46Å; D563-G694 VanDerWaalsContact OD2-CA 3.22Å; D563-G694 WeakPolarHBondContact OD2-CA 3.22Å; D563-G694 PolarHBondContact OD2-N 3.36Å
564	V	98.7	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-65.9	-20.6	-176.6	79.2	0	0	0	0	111.7	H586 R587 F593 D654 A655 I663 Y666	V564-H586 CarbonylContact O-C 3.54Å; V564-H586 WeakPolarHBondContact O-CA 3.32Å; V564-H586 WeakPolarHBondContact O-CB 3.45Å; V564-R587 HydrophobicContact CG2-CB 3.9Å; V564-R587 PolarHBondContact O-N 2.84Å; V564-F593 HydrophobicContact CG1-CE1 4.48Å; V564-D654 HydrophobicContact CG1-CB 3.88Å; V564-D654 VanDerWaalsContact CG1-CG 3.42Å; V564-D654 VanDerWaalsContact CG1-OD1 3.3Å; V564-D654 WeakPolarHBondContact CG1-OD1 3.25Å; V564-D654 PolarHBondContact N-OD1 2.83Å; V564-A655 HydrophobicContact CB-CB 3.9Å; V564-A655 HydrophobicContact CG2-CB 3.97Å; V564-I663 VanDerWaalsContact CG1-O 3.32Å; V564-I663 WeakPolarHBondContact CG1-O 3.45Å; V564-Y666 HydrophobicContact CG2-CD2 3.9Å; V564-Y666 HydrophobicContact CG2-CE2 4.19Å
565	H	98.7	Very high	98.6	Very high	23 Å²	23	23.1 Å²	23.1	11%	0.106	10%	0.104	C	C	.	.	S	Bend	trans	-95.1	140.7	174.7	-50.2	87.9	0	0	0	110.5	H524 D563 G567 F593 Y594 D654 I663	H524-H565 PolarHBondContact CE1-O 3.08Å; D563-H565 PolarHBondContact O-N 3.21Å; D563-H565 VanDerWaalsContact O-N 3.17Å; D563-H565 WeakPolarHBondContact OD1-CB 3.44Å; D563-H565 IonicContact OD1-CG 3.19Å; D563-H565 PolarHBondContact OD1-N 3.16Å; D563-H565 IonicContact OD1-ND1 2.69Å; D563-H565 PolarHBondContact OD1-ND1 3.23Å; D563-H565 VanDerWaalsContact OD1-ND1 3.09Å; H565-G567 PolarHBondContact O-N 3.1Å; H565-F593 AromaticContact CD2-CE1 3.53Å; H565-F593 AromaticContact NE2-CE1 3.76Å; H565-F593 AromaticContact NE2-CZ 3.83Å; H565-Y594 PolarHBondContact CD2-O 2.81Å; H565-D654 IonicContact CE1-OD2 3.2Å; H565-D654 PolarHBondContact CE1-OD2 3.19Å; H565-D654 IonicContact ND1-OD2 2.88Å; H565-D654 PolarHBondContact ND1-OD2 3Å; H565-I663 PolarHBondContact CE1-O 2.89Å; H565-I663 PolarHBondContact NE2-O 3.14Å; H565-I663 VanDerWaalsContact NE2-O 3.12Å
566	H	98.6	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.			trans	-63.1	123.4	174	177.7	-130.4	0	0	0	111.2	K568 Q571 Y582 H586 P595 S597 G598	H566-K568 PolarHBondContact O-N 3.35Å; H566-Q571 PolarHBondContact CE1-OE1 3.46Å; H566-Q571 PolarHBondContact NE2-OE1 2.94Å; H566-Y582 AromaticContact NE2-CE1 3.71Å; H566-H586 HydrophobicContact CB-CB 4.32Å; H566-H586 AromaticContact CD2-CE1 3.41Å; H566-H586 PolarHBondContact CD2-CE1 3.47Å; H566-H586 VanDerWaalsContact CD2-CE1 3.41Å; H566-H586 AromaticContact CD2-ND1 3.59Å; H566-H586 AromaticContact CG-CE1 3.7Å; H566-H586 AromaticContact CG-ND1 3.94Å; H566-P595 HydrophobicContact CB-CG 4.14Å; H566-S597 VanDerWaalsContact ND1-C 3.25Å; H566-S597 PolarHBondContact ND1-O 3.41Å; H566-S597 PolarHBondContact ND1-OG 3.49Å; H566-G598 WeakPolarHBondContact CE1-CA 3.28Å; H566-G598 PolarHBondContact CE1-N 3.23Å; H566-G598 VanDerWaalsContact ND1-CA 3.28Å; H566-G598 WeakPolarHBondContact ND1-CA 3.43Å; H566-G598 PolarHBondContact ND1-N 2.9Å
567	G	98.5	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.			trans	-69.7	69.1	175	0	0	0	0	0	113.3	H524 D561 H565 G569 L570 Q571 Y582	H524-G567 CarbonylContact O-C 3.53Å; D561-G567 WeakPolarHBondContact OD2-CA 3.47Å; D561-G567 PolarHBondContact OD2-N 2.83Å; H565-G567 PolarHBondContact O-N 3.1Å; G567-G569 PolarHBondContact O-N 3.11Å; G567-G569 VanDerWaalsContact O-N 3.15Å; G567-L570 WeakPolarHBondContact O-CA 3.49Å; G567-L570 WeakPolarHBondContact O-CB 3.31Å; G567-L570 PolarHBondContact O-N 2.78Å; G567-Q571 PolarHBondContact O-N 2.89Å; G567-Y582 VanDerWaalsContact CA-OH 3.25Å; G567-Y582 WeakPolarHBondContact CA-OH 3.33Å; G567-Y582 PolarHBondContact N-OH 3.01Å; G567-Y582 PolarHBondContact O-OH 3.29Å
568	K	98	Very high	98.6	Very high	79 Å²	79	17.2 Å²	17.2	34%	0.343	9%	0.09	S	C	.	.	H	α-helix	trans	-50.2	-43.4	-177	-177.3	-171.1	177.9	-162.5	0	112.9	M525 E527 H566 Q572 P595	M525-K568 HydrophobicContact CE-CB 4.14Å; M525-K568 HydrophobicContact SD-CB 4.27Å; E527-K568 WeakPolarHBondContact OE1-CE 3.32Å; E527-K568 IonicContact OE1-NZ 3.62Å; E527-K568 PolarHBondContact OE1-NZ 2.96Å; E527-K568 IonicContact OE2-NZ 3.34Å; H566-K568 PolarHBondContact O-N 3.35Å; K568-Q572 WeakPolarHBondContact O-CB 3.37Å; K568-Q572 PolarHBondContact O-N 3.36Å; K568-P595 HydrophobicContact CB-CG 4.43Å
569	G	98.4	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.7	-41.7	179.4	0	0	0	0	0	112.2	H524 A526 G567 Q572 I573	H524-G569 WeakPolarHBondContact O-CA 3.37Å; H524-G569 PolarHBondContact O-N 2.82Å; A526-G569 WeakPolarHBondContact O-CA 3.35Å; G567-G569 PolarHBondContact O-N 3.11Å; G567-G569 VanDerWaalsContact O-N 3.15Å; G569-Q572 PolarHBondContact O-N 3.16Å; G569-I573 WeakPolarHBondContact O-CD1 3.31Å; G569-I573 VanDerWaalsContact O-CG1 3.23Å; G569-I573 WeakPolarHBondContact O-CG1 3.41Å; G569-I573 PolarHBondContact O-N 3.14Å; G569-I573 VanDerWaalsContact O-N 3.12Å
570	L	98.5	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.6	-50.8	175.2	-84.3	172.7	0	0	0	111.9	H524 N538 V540 A541 I559 G567 Q572 I573 F574 Y582 A650	H524-L570 HydrophobicContact CB-CD1 3.62Å; H524-L570 HydrophobicContact CB-CG 4.14Å; H524-L570 PolarHBondContact O-N 2.89Å; H524-L570 VanDerWaalsContact O-N 3.12Å; N538-L570 PolarHBondContact ND2-N 2.92Å; N538-L570 VanDerWaalsContact OD1-CD2 3.28Å; N538-L570 WeakPolarHBondContact OD1-CD2 3.09Å; V540-L570 HydrophobicContact CB-CD1 4.41Å; V540-L570 HydrophobicContact CB-CD2 3.92Å; V540-L570 HydrophobicContact CG1-CD1 4.25Å; V540-L570 HydrophobicContact CG1-CD2 3.68Å; A541-L570 HydrophobicContact CB-CD2 4Å; I559-L570 HydrophobicContact CD1-CD2 4.09Å; I559-L570 HydrophobicContact CG2-CD1 4.03Å; I559-L570 HydrophobicContact CG2-CD2 4.36Å; G567-L570 WeakPolarHBondContact O-CA 3.49Å; G567-L570 WeakPolarHBondContact O-CB 3.31Å; G567-L570 PolarHBondContact O-N 2.78Å; L570-Q572 PolarHBondContact O-N 3.34Å; L570-I573 PolarHBondContact O-N 3.27Å; L570-F574 HydrophobicContact CD2-CE2 4.31Å; L570-F574 WeakPolarHBondContact O-CD2 3.35Å; L570-F574 PolarHBondContact O-N 3.34Å; L570-Y582 HydrophobicContact CB-CD2 4.03Å; L570-Y582 HydrophobicContact CB-CE2 3.54Å; L570-Y582 HydrophobicContact CD1-CE2 3.83Å; L570-Y582 HydrophobicContact CG-CE2 4.28Å; L570-A650 HydrophobicContact CD1-CB 3.88Å
571	Q	98.7	Very high	98.6	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-57.1	-51	178.5	-173.5	179.9	-72	0	0	110.6	H566 G567 I573 F574 E575 Y582 E602 T612 N614	H566-Q571 PolarHBondContact CE1-OE1 3.46Å; H566-Q571 PolarHBondContact NE2-OE1 2.94Å; G567-Q571 PolarHBondContact O-N 2.89Å; Q571-I573 VanDerWaalsContact C-N 3.3Å; Q571-I573 PolarHBondContact O-N 3.49Å; Q571-F574 PolarHBondContact O-N 2.86Å; Q571-E575 WeakPolarHBondContact O-CA 3.45Å; Q571-E575 WeakPolarHBondContact O-CB 3.26Å; Q571-E575 PolarHBondContact O-N 3.07Å; Q571-Y582 HydrophobicContact CB-CD1 3.85Å; Q571-Y582 HydrophobicContact CB-CE1 3.7Å; Q571-Y582 HydrophobicContact CG-CD1 4.15Å; Q571-Y582 HydrophobicContact CG-CE1 4.34Å; Q571-E602 PolarHBondContact NE2-OE2 3.23Å; Q571-T612 HydrophobicContact CG-CG2 3.76Å; Q571-N614 PolarHBondContact OE1-ND2 3.33Å; Q571-N614 PolarHBondContact OE1-OD1 3.22Å
572	Q	98.5	Very high	98.6	Very high	74 Å²	74	23 Å²	23	35%	0.346	11%	0.111	S	C	.	.	H	α-helix	trans	-60.8	-36.8	-175.6	-172.5	-174.7	18.3	0	0	113.3	E527 P528 K568 G569 L570	E527-Q572 VanDerWaalsContact CB-OE1 3.24Å; E527-Q572 PolarHBondContact OE2-OE1 3Å; P528-Q572 VanDerWaalsContact CD-OE1 3.25Å; K568-Q572 WeakPolarHBondContact O-CB 3.37Å; K568-Q572 PolarHBondContact O-N 3.36Å; G569-Q572 PolarHBondContact O-N 3.16Å; L570-Q572 PolarHBondContact O-N 3.34Å
573	I	98.7	Very high	98.6	Very high	28 Å²	28	23 Å²	23	14%	0.144	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-40.1	180	-71	162.4	0	0	0	111.2	C439 P528 N538 A541 G569 L570 Q571	C439-I573 HydrophobicContact CB-CD1 3.98Å; P528-I573 HydrophobicContact CG-CG1 4.02Å; N538-I573 HydrophobicContact CB-CD1 3.83Å; A541-I573 HydrophobicContact CB-CB 4.44Å; A541-I573 HydrophobicContact CB-CD1 3.61Å; A541-I573 HydrophobicContact CB-CG2 4.06Å; G569-I573 WeakPolarHBondContact O-CD1 3.31Å; G569-I573 VanDerWaalsContact O-CG1 3.23Å; G569-I573 WeakPolarHBondContact O-CG1 3.41Å; G569-I573 PolarHBondContact O-N 3.14Å; G569-I573 VanDerWaalsContact O-N 3.12Å; L570-I573 PolarHBondContact O-N 3.27Å; Q571-I573 VanDerWaalsContact C-N 3.3Å; Q571-I573 PolarHBondContact O-N 3.49Å
574	F	98.6	Very high	98.6	Very high	2 Å²	2	23 Å²	23	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-104.2	2.1	-174.6	-63.5	-64.3	0	0	0	114.9	A541 A544 H545 I559 L570 Q571 A576 D577 V580	A541-F574 HydrophobicContact CB-CE2 3.57Å; A541-F574 HydrophobicContact CB-CZ 3.85Å; A544-F574 HydrophobicContact CB-CE1 4.5Å; A544-F574 HydrophobicContact CB-CE2 4.37Å; A544-F574 HydrophobicContact CB-CZ 3.76Å; H545-F574 AromaticContact CD2-CE1 3.82Å; H545-F574 AromaticContact CE1-CE1 3.71Å; H545-F574 AromaticContact NE2-CE1 3.48Å; H545-F574 WeakPolarHBondContact NE2-CE1 3.41Å; I559-F574 HydrophobicContact CD1-CD2 3.73Å; I559-F574 HydrophobicContact CD1-CE2 3.44Å; I559-F574 VanDerWaalsContact CD1-CE2 3.44Å; I559-F574 HydrophobicContact CD1-CZ 4.26Å; L570-F574 HydrophobicContact CD2-CE2 4.31Å; L570-F574 WeakPolarHBondContact O-CD2 3.35Å; L570-F574 PolarHBondContact O-N 3.34Å; Q571-F574 PolarHBondContact O-N 2.86Å; F574-A576 PolarHBondContact O-N 3.38Å; F574-D577 HydrophobicContact CD1-CB 4.35Å; F574-D577 PolarHBondContact O-N 3.04Å; F574-V580 HydrophobicContact CB-CB 4.09Å; F574-V580 HydrophobicContact CB-CG1 4.07Å; F574-V580 HydrophobicContact CD1-CB 3.66Å; F574-V580 HydrophobicContact CD1-CG1 3.88Å; F574-V580 HydrophobicContact CD1-CG2 3.54Å; F574-V580 HydrophobicContact CD2-CG1 3.86Å; F574-V580 HydrophobicContact CE1-CB 4.24Å; F574-V580 HydrophobicContact CE1-CG1 4.29Å; F574-V580 HydrophobicContact CE1-CG2 3.68Å; F574-V580 HydrophobicContact CE2-CG1 4.26Å; F574-V580 HydrophobicContact CG-CB 3.83Å; F574-V580 HydrophobicContact CG-CG1 3.65Å; F574-V580 HydrophobicContact CG-CG2 4.2Å; F574-V580 HydrophobicContact CZ-CG1 4.48Å; F574-V580 HydrophobicContact CZ-CG2 4.43Å
575	E	98.1	Very high	98.6	Very high	52 Å²	52	23 Å²	23	24%	0.243	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-30.5	-172.8	-157.6	178.2	-155.9	0	0	113.6	Q571 G604 R605	Q571-E575 WeakPolarHBondContact O-CA 3.45Å; Q571-E575 WeakPolarHBondContact O-CB 3.26Å; Q571-E575 PolarHBondContact O-N 3.07Å; E575-G604 CarbonylContact O-C 3.51Å; E575-G604 VanDerWaalsContact O-CA 3.29Å; E575-G604 WeakPolarHBondContact O-CA 3.45Å; E575-R605 HydrophobicContact CB-CG 4.16Å; E575-R605 HydrophobicContact CG-CB 4.39Å; E575-R605 HydrophobicContact CG-CG 3.87Å; E575-R605 PolarHBondContact O-N 3.38Å; E575-R605 VanDerWaalsContact OE2-CD 3.25Å; E575-R605 WeakPolarHBondContact OE2-CD 3.47Å; E575-R605 IonicContact OE2-NE 2.77Å; E575-R605 PolarHBondContact OE2-NE 2.86Å
576	A	98.6	Very high	98.6	Very high	34 Å²	34	21.9 Å²	21.9	28%	0.281	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	4.9	-179.9	0	0	0	0	0	115	F574 P578 R605 D606	F574-A576 PolarHBondContact O-N 3.38Å; A576-P578 WeakPolarHBondContact O-CD 3.26Å; A576-R605 WeakPolarHBondContact CA-O 3.41Å; A576-R605 HydrophobicContact CB-CG 3.82Å; A576-D606 HydrophobicContact CB-CB 4.3Å
577	D	98.5	Very high	98.6	Very high	21 Å²	21	24 Å²	24	11%	0.112	12%	0.115	C	C	.	.			trans	-109.1	103.1	-172.4	-167.1	-15.9	0	0	0	112.3	F574 R579 V580	F574-D577 HydrophobicContact CD1-CB 4.35Å; F574-D577 PolarHBondContact O-N 3.04Å; D577-R579 PolarHBondContact O-N 3.15Å; D577-R579 VanDerWaalsContact O-N 3.08Å; D577-R579 VanDerWaalsContact OD1-CB 3.23Å; D577-R579 WeakPolarHBondContact OD1-CB 3.26Å; D577-R579 WeakPolarHBondContact OD1-CG 3.49Å; D577-R579 IonicContact OD1-CZ 2.66Å; D577-R579 PolarHBondContact OD1-N 3.01Å; D577-R579 IonicContact OD1-NE 3.34Å; D577-R579 PolarHBondContact OD1-NE 2.55Å; D577-R579 IonicContact OD1-NH2 3.32Å; D577-R579 IonicContact OD2-CZ 3.74Å; D577-R579 IonicContact OD2-NE 3.93Å; D577-R579 PolarHBondContact OD2-NE 2.81Å; D577-R579 IonicContact OD2-NH2 3.33Å; D577-R579 PolarHBondContact OD2-NH2 3.19Å; D577-V580 PolarHBondContact O-N 2.88Å; D577-V580 VanDerWaalsContact O-N 3.13Å
578	P	98.4	Very high	98.6	Very high	40 Å²	40	24.9 Å²	24.9	26%	0.26	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.5	-179.3	28.4	-35.8	0	0	0	114.3	A576 E607 Y611	A576-P578 WeakPolarHBondContact O-CD 3.26Å; P578-E607 WeakPolarHBondContact CB-O 3.5Å; P578-E607 HydrophobicContact CG-CB 4.03Å; P578-Y611 HydrophobicContact CB-CD2 3.83Å; P578-Y611 HydrophobicContact CB-CE1 4.24Å; P578-Y611 HydrophobicContact CB-CE2 3.48Å; P578-Y611 VanDerWaalsContact CB-CE2 3.48Å; P578-Y611 HydrophobicContact CB-CG 4.33Å; P578-Y611 WeakPolarHBondContact O-CD1 3.22Å; P578-Y611 WeakPolarHBondContact O-CE1 3.19Å
579	R	98.7	Very high	98.6	Very high	118 Å²	118	22.5 Å²	22.5	45%	0.445	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-15	175.4	-58.6	173	-63.1	173.5	3.4	111.7	L548 K555 K556 I557 D577	L548-R579 HydrophobicContact CD1-CB 4.44Å; L548-R579 HydrophobicContact CD2-CB 4.33Å; K555-R579 WeakPolarHBondContact O-CB 3.48Å; K556-R579 VanDerWaalsContact CA-O 3.32Å; K556-R579 WeakPolarHBondContact CA-O 3.29Å; I557-R579 PolarHBondContact N-O 3.27Å; D577-R579 PolarHBondContact O-N 3.15Å; D577-R579 VanDerWaalsContact O-N 3.08Å; D577-R579 VanDerWaalsContact OD1-CB 3.23Å; D577-R579 WeakPolarHBondContact OD1-CB 3.26Å; D577-R579 WeakPolarHBondContact OD1-CG 3.49Å; D577-R579 IonicContact OD1-CZ 2.66Å; D577-R579 PolarHBondContact OD1-N 3.01Å; D577-R579 IonicContact OD1-NE 3.34Å; D577-R579 PolarHBondContact OD1-NE 2.55Å; D577-R579 IonicContact OD1-NH2 3.32Å; D577-R579 IonicContact OD2-CZ 3.74Å; D577-R579 IonicContact OD2-NE 3.93Å; D577-R579 PolarHBondContact OD2-NE 2.81Å; D577-R579 IonicContact OD2-NH2 3.33Å; D577-R579 PolarHBondContact OD2-NH2 3.19Å
580	V	98.9	Very high	98.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.6	-178.4	-175.7	0	0	0	0	109.4	L548 I557 I559 F574 D577	L548-V580 HydrophobicContact CD1-CG2 3.87Å; I557-V580 VanDerWaalsContact O-CA 3.3Å; I557-V580 WeakPolarHBondContact O-CA 3.31Å; I559-V580 HydrophobicContact CD1-CG1 3.56Å; I559-V580 HydrophobicContact CG1-CG1 3.96Å; F574-V580 HydrophobicContact CB-CB 4.09Å; F574-V580 HydrophobicContact CB-CG1 4.07Å; F574-V580 HydrophobicContact CD1-CB 3.66Å; F574-V580 HydrophobicContact CD1-CG1 3.88Å; F574-V580 HydrophobicContact CD1-CG2 3.54Å; F574-V580 HydrophobicContact CD2-CG1 3.86Å; F574-V580 HydrophobicContact CE1-CB 4.24Å; F574-V580 HydrophobicContact CE1-CG1 4.29Å; F574-V580 HydrophobicContact CE1-CG2 3.68Å; F574-V580 HydrophobicContact CE2-CG1 4.26Å; F574-V580 HydrophobicContact CG-CB 3.83Å; F574-V580 HydrophobicContact CG-CG1 3.65Å; F574-V580 HydrophobicContact CG-CG2 4.2Å; F574-V580 HydrophobicContact CZ-CG1 4.48Å; F574-V580 HydrophobicContact CZ-CG2 4.43Å; D577-V580 PolarHBondContact O-N 2.88Å; D577-V580 VanDerWaalsContact O-N 3.13Å
581	L	98.9	Very high	98.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.6	170	170.5	65.6	0	0	0	108.4	I557 A558 I559 L583 Y611 V613 V638 L639 F642 W748	I557-L581 PolarHBondContact O-N 2.77Å; A558-L581 CarbonylContact C-O 3.57Å; A558-L581 WeakPolarHBondContact CA-O 2.96Å; A558-L581 HydrophobicContact CB-CD2 4.43Å; I559-L581 PolarHBondContact N-O 3.45Å; L581-L583 HydrophobicContact CD1-CG 4.31Å; L581-L583 HydrophobicContact CD2-CD1 3.66Å; L581-L583 HydrophobicContact CD2-CG 4.29Å; L581-L583 HydrophobicContact CG-CD1 3.94Å; L581-L583 HydrophobicContact CG-CG 4.1Å; L581-Y611 CarbonylContact C-O 3.59Å; L581-Y611 WeakPolarHBondContact CA-O 3.25Å; L581-V613 HydrophobicContact CD1-CG2 4.07Å; L581-V638 HydrophobicContact CD1-CG1 4.08Å; L581-V638 HydrophobicContact CD2-CG1 3.68Å; L581-L639 HydrophobicContact CD2-CD2 4.05Å; L581-F642 HydrophobicContact CB-CD1 3.67Å; L581-F642 HydrophobicContact CB-CD2 4.06Å; L581-F642 HydrophobicContact CB-CE1 3.53Å; L581-F642 HydrophobicContact CB-CE2 3.92Å; L581-F642 HydrophobicContact CB-CG 3.92Å; L581-F642 HydrophobicContact CB-CZ 3.64Å; L581-F642 HydrophobicContact CD2-CB 3.68Å; L581-F642 HydrophobicContact CD2-CD1 3.61Å; L581-F642 HydrophobicContact CD2-CD2 4.39Å; L581-F642 HydrophobicContact CD2-CE1 4.33Å; L581-F642 HydrophobicContact CD2-CG 3.64Å; L581-F642 HydrophobicContact CG-CD1 4.32Å; L581-F642 HydrophobicContact CG-CG 4.4Å; L581-W748 HydrophobicContact CD1-CH2 4.49Å; L581-W748 HydrophobicContact CD1-CZ2 3.87Å
582	Y	98.9	Very high	98.3	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.5	171.5	-179.5	-113.3	0	0	0	110	I559 D561 H566 G567 L570 Q571 S584 Y611 T612 V613	I559-Y582 HydrophobicContact CB-CD2 4.1Å; I559-Y582 HydrophobicContact CG2-CD2 3.81Å; I559-Y582 HydrophobicContact CG2-CE2 4.15Å; D561-Y582 HydrophobicContact CB-CE2 3.7Å; D561-Y582 PolarHBondContact OD2-OH 3.23Å; H566-Y582 AromaticContact NE2-CE1 3.71Å; G567-Y582 VanDerWaalsContact CA-OH 3.25Å; G567-Y582 WeakPolarHBondContact CA-OH 3.33Å; G567-Y582 PolarHBondContact N-OH 3.01Å; G567-Y582 PolarHBondContact O-OH 3.29Å; L570-Y582 HydrophobicContact CB-CD2 4.03Å; L570-Y582 HydrophobicContact CB-CE2 3.54Å; L570-Y582 HydrophobicContact CD1-CE2 3.83Å; L570-Y582 HydrophobicContact CG-CE2 4.28Å; Q571-Y582 HydrophobicContact CB-CD1 3.85Å; Q571-Y582 HydrophobicContact CB-CE1 3.7Å; Q571-Y582 HydrophobicContact CG-CD1 4.15Å; Q571-Y582 HydrophobicContact CG-CE1 4.34Å; Y582-S584 WeakPolarHBondContact OH-CB 3.38Å; Y582-S584 PolarHBondContact OH-OG 3.04Å; Y582-Y611 PolarHBondContact N-O 3.01Å; Y582-T612 HydrophobicContact CD1-CG2 4.24Å; Y582-T612 CarbonylContact O-C 3.53Å; Y582-T612 WeakPolarHBondContact O-CA 3.44Å; Y582-V613 PolarHBondContact O-N 3.35Å
583	L	98.9	Very high	98.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123	177.5	-80.3	152.3	0	0	0	108.1	I559 V560 D561 L581 V613 V635 V638 L639	I559-L583 PolarHBondContact O-N 3.08Å; V560-L583 CarbonylContact C-O 3.57Å; V560-L583 HydrophobicContact CG2-CB 4.48Å; V560-L583 HydrophobicContact CG2-CD1 4.26Å; D561-L583 PolarHBondContact N-O 3.27Å; L581-L583 HydrophobicContact CD1-CG 4.31Å; L581-L583 HydrophobicContact CD2-CD1 3.66Å; L581-L583 HydrophobicContact CD2-CG 4.29Å; L581-L583 HydrophobicContact CG-CD1 3.94Å; L581-L583 HydrophobicContact CG-CG 4.1Å; L583-V613 WeakPolarHBondContact CA-O 3.28Å; L583-V613 HydrophobicContact CD2-CB 3.49Å; L583-V613 VanDerWaalsContact CD2-CB 3.49Å; L583-V613 HydrophobicContact CD2-CG1 3.56Å; L583-V613 HydrophobicContact CD2-CG2 4.14Å; L583-V613 HydrophobicContact CG-CB 4.21Å; L583-V635 HydrophobicContact CD1-CG1 4.24Å; L583-V638 HydrophobicContact CD2-CG1 4.38Å; L583-L639 HydrophobicContact CD1-CD2 3.89Å; L583-L639 HydrophobicContact CD1-CG 4.19Å
584	S	98.9	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.3	179.1	-173.3	0	0	0	0	112.6	D561 Y582 H586 V613 I615	D561-S584 CarbonylContact O-C 3.59Å; D561-S584 VanDerWaalsContact O-CA 3.29Å; D561-S584 WeakPolarHBondContact O-CA 3.31Å; Y582-S584 WeakPolarHBondContact OH-CB 3.38Å; Y582-S584 PolarHBondContact OH-OG 3.04Å; S584-H586 PolarHBondContact OG-ND1 3.38Å; S584-V613 PolarHBondContact N-O 3.37Å; S584-I615 PolarHBondContact O-N 3.41Å
585	L	98.8	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	96.5	176.1	-59.7	91.5	0	0	0	109.5	D561 I615 Y627 A630 F631 V635	D561-L585 PolarHBondContact O-N 2.83Å; L585-I615 HydrophobicContact CD2-CD1 4Å; L585-I615 HydrophobicContact CG-CB 4.23Å; L585-I615 HydrophobicContact CG-CD1 3.97Å; L585-I615 HydrophobicContact CG-CG1 4.37Å; L585-Y627 HydrophobicContact CB-CE1 3.91Å; L585-Y627 HydrophobicContact CD2-CD1 4.14Å; L585-Y627 HydrophobicContact CD2-CE1 4.34Å; L585-Y627 PolarHBondContact O-OH 3.47Å; L585-A630 HydrophobicContact CD2-CB 3.48Å; L585-A630 VanDerWaalsContact CD2-CB 3.48Å; L585-F631 HydrophobicContact CD1-CE2 4.35Å; L585-F631 HydrophobicContact CD2-CD2 4.28Å; L585-F631 HydrophobicContact CD2-CE2 4.22Å; L585-V635 HydrophobicContact CD1-CG2 4.06Å; L585-V635 HydrophobicContact CD2-CG2 4.26Å
586	H	98.8	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.2	-168.1	55.4	-98.7	0	0	0	111.9	V564 H566 S584 G598 I615 W617	V564-H586 CarbonylContact O-C 3.54Å; V564-H586 WeakPolarHBondContact O-CA 3.32Å; V564-H586 WeakPolarHBondContact O-CB 3.45Å; H566-H586 HydrophobicContact CB-CB 4.32Å; H566-H586 AromaticContact CD2-CE1 3.41Å; H566-H586 PolarHBondContact CD2-CE1 3.47Å; H566-H586 VanDerWaalsContact CD2-CE1 3.41Å; H566-H586 AromaticContact CD2-ND1 3.59Å; H566-H586 AromaticContact CG-CE1 3.7Å; H566-H586 AromaticContact CG-ND1 3.94Å; S584-H586 PolarHBondContact OG-ND1 3.38Å; H586-G598 PolarHBondContact CE1-O 3.38Å; H586-G598 PolarHBondContact NE2-O 2.9Å; H586-I615 PolarHBondContact N-O 2.83Å; H586-W617 WeakPolarHBondContact O-CB 3.32Å; H586-W617 PolarHBondContact O-N 2.97Å
587	R	98.5	Very high	97.9	Very high	45 Å²	45	38.4 Å²	38.4	17%	0.17	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.6	168.3	-177.9	171.6	176.4	-158.4	-11.8	109.2	V564 D589 F593 P661 G664 Y666	V564-R587 HydrophobicContact CG2-CB 3.9Å; V564-R587 PolarHBondContact O-N 2.84Å; R587-D589 IonicContact CZ-OD2 3.34Å; R587-D589 IonicContact NE-OD1 3.55Å; R587-D589 IonicContact NE-OD2 2.66Å; R587-D589 PolarHBondContact NE-OD2 3.44Å; R587-D589 IonicContact NH2-OD2 2.88Å; R587-D589 PolarHBondContact NH2-OD2 3.18Å; R587-F593 HydrophobicContact CB-CD1 3.77Å; R587-F593 HydrophobicContact CB-CE1 4.01Å; R587-F593 HydrophobicContact CB-CG 4.21Å; R587-F593 HydrophobicContact CG-CB 4.03Å; R587-F593 HydrophobicContact CG-CD1 3.8Å; R587-F593 HydrophobicContact CG-CD2 4.11Å; R587-F593 HydrophobicContact CG-CE1 4.27Å; R587-F593 HydrophobicContact CG-CG 3.7Å; R587-F593 VanDerWaalsContact O-CD1 3.3Å; R587-F593 WeakPolarHBondContact O-CD1 3.43Å; R587-P661 PolarHBondContact NH1-O 3.46Å; R587-G664 WeakPolarHBondContact CD-O 3.17Å; R587-G664 PolarHBondContact NH1-O 3.09Å; R587-Y666 HydrophobicContact CB-CE1 4.46Å; R587-Y666 HydrophobicContact CB-CE2 3.83Å; R587-Y666 WeakPolarHBondContact CB-OH 3.44Å; R587-Y666 HydrophobicContact CG-CE1 4.24Å; R587-Y666 HydrophobicContact CG-CE2 4.45Å; R587-Y666 WeakPolarHBondContact CG-OH 3.43Å
588	H	98.3	Very high	97.9	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.083	19%	0.193	C	C	.	.			trans	-121.6	-37.5	-176.8	-172.5	-111.4	0	0	0	112.4	H590 G591 L592 F593 G596 S597 P616 W617	H588-H590 WeakPolarHBondContact ND1-CA 3.32Å; H588-H590 PolarHBondContact ND1-N 3.21Å; H588-H590 PolarHBondContact O-N 2.75Å; H588-G591 PolarHBondContact CE1-N 3.36Å; H588-G591 PolarHBondContact ND1-N 3.18Å; H588-G591 VanDerWaalsContact ND1-N 3.12Å; H588-G591 CarbonylContact O-C 3.55Å; H588-G591 WeakPolarHBondContact O-CA 3.28Å; H588-G591 PolarHBondContact O-N 2.99Å; H588-L592 PolarHBondContact O-N 2.94Å; H588-F593 PolarHBondContact O-N 3Å; H588-F593 VanDerWaalsContact O-N 3.15Å; H588-G596 PolarHBondContact NE2-O 2.88Å; H588-S597 PolarHBondContact CD2-O 3.07Å; H588-S597 VanDerWaalsContact CD2-O 3.26Å; H588-P616 HydrophobicContact CB-CB 3.41Å; H588-P616 VanDerWaalsContact CB-CB 3.41Å; H588-W617 PolarHBondContact N-O 3.44Å
589	D	97.3	Very high	97.9	Very high	29 Å²	29	36.6 Å²	36.6	16%	0.155	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	47.4	42.9	-176.9	-64.8	-22.7	0	0	0	112.6	R587 G591 L592 F593 W617	R587-D589 IonicContact CZ-OD2 3.34Å; R587-D589 IonicContact NE-OD1 3.55Å; R587-D589 IonicContact NE-OD2 2.66Å; R587-D589 PolarHBondContact NE-OD2 3.44Å; R587-D589 IonicContact NH2-OD2 2.88Å; R587-D589 PolarHBondContact NH2-OD2 3.18Å; D589-G591 VanDerWaalsContact C-N 3.26Å; D589-G591 PolarHBondContact O-N 3.11Å; D589-L592 HydrophobicContact CB-CB 4.2Å; D589-L592 VanDerWaalsContact O-CB 3.27Å; D589-L592 WeakPolarHBondContact O-CB 3.35Å; D589-L592 VanDerWaalsContact O-CG 3.32Å; D589-L592 WeakPolarHBondContact O-CG 3.48Å; D589-L592 PolarHBondContact O-N 3.31Å; D589-L592 VanDerWaalsContact O-N 3.16Å; D589-F593 HydrophobicContact CB-CB 4.09Å; D589-W617 PolarHBondContact N-O 2.99Å
590	H	96.2	Very high	97.9	Very high	132 Å²	132	31.4 Å²	31.4	61%	0.611	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	57.5	35.2	-175.4	-52.1	-60.9	0	0	0	114.1	H588 Y618	H588-H590 WeakPolarHBondContact ND1-CA 3.32Å; H588-H590 PolarHBondContact ND1-N 3.21Å; H588-H590 PolarHBondContact O-N 2.75Å; H590-Y618 AromaticContact CE1-CD1 3.73Å; H590-Y618 AromaticContact CE1-CD2 3.41Å; H590-Y618 VanDerWaalsContact CE1-CD2 3.41Å; H590-Y618 WeakPolarHBondContact CE1-CD2 3.32Å; H590-Y618 AromaticContact CE1-CE1 3.93Å; H590-Y618 AromaticContact CE1-CE2 3.63Å; H590-Y618 AromaticContact CE1-CG 3.46Å; H590-Y618 VanDerWaalsContact CE1-CG 3.46Å; H590-Y618 AromaticContact CE1-CZ 3.87Å; H590-Y618 AromaticContact NE2-CD2 3.23Å; H590-Y618 WeakPolarHBondContact NE2-CD2 3.17Å; H590-Y618 AromaticContact NE2-CE2 3.66Å; H590-Y618 AromaticContact NE2-CG 3.62Å
591	G	97.1	Very high	97.8	Very high	29 Å²	29	36.3 Å²	36.3	30%	0.299	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	87.7	4.7	179.8	0	0	0	0	0	113.9	H588 D589 G596	H588-G591 PolarHBondContact CE1-N 3.36Å; H588-G591 PolarHBondContact ND1-N 3.18Å; H588-G591 VanDerWaalsContact ND1-N 3.12Å; H588-G591 CarbonylContact O-C 3.55Å; H588-G591 WeakPolarHBondContact O-CA 3.28Å; H588-G591 PolarHBondContact O-N 2.99Å; D589-G591 VanDerWaalsContact C-N 3.26Å; D589-G591 PolarHBondContact O-N 3.11Å; G591-G596 WeakPolarHBondContact O-CA 3.33Å
592	L	96.5	Very high	97.8	Very high	158 Å²	158	38.9 Å²	38.9	83%	0.827	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-19.4	178.8	-60.2	175.9	0	0	0	113.1	H588 D589	H588-L592 PolarHBondContact O-N 2.94Å; D589-L592 HydrophobicContact CB-CB 4.2Å; D589-L592 VanDerWaalsContact O-CB 3.27Å; D589-L592 WeakPolarHBondContact O-CB 3.35Å; D589-L592 VanDerWaalsContact O-CG 3.32Å; D589-L592 WeakPolarHBondContact O-CG 3.48Å; D589-L592 PolarHBondContact O-N 3.31Å; D589-L592 VanDerWaalsContact O-N 3.16Å
593	F	97	Very high	97.8	Very high	16 Å²	16	40.2 Å²	40.2	7%	0.07	22%	0.217	C	C	.	.	S	Bend	trans	-90.8	137.5	173	-167	-101	0	0	0	110.2	V564 H565 R587 H588 D589 G596	V564-F593 HydrophobicContact CG1-CE1 4.48Å; H565-F593 AromaticContact CD2-CE1 3.53Å; H565-F593 AromaticContact NE2-CE1 3.76Å; H565-F593 AromaticContact NE2-CZ 3.83Å; R587-F593 HydrophobicContact CB-CD1 3.77Å; R587-F593 HydrophobicContact CB-CE1 4.01Å; R587-F593 HydrophobicContact CB-CG 4.21Å; R587-F593 HydrophobicContact CG-CB 4.03Å; R587-F593 HydrophobicContact CG-CD1 3.8Å; R587-F593 HydrophobicContact CG-CD2 4.11Å; R587-F593 HydrophobicContact CG-CE1 4.27Å; R587-F593 HydrophobicContact CG-CG 3.7Å; R587-F593 VanDerWaalsContact O-CD1 3.3Å; R587-F593 WeakPolarHBondContact O-CD1 3.43Å; H588-F593 PolarHBondContact O-N 3Å; H588-F593 VanDerWaalsContact O-N 3.15Å; D589-F593 HydrophobicContact CB-CB 4.09Å; F593-G596 WeakPolarHBondContact O-CA 3.45Å; F593-G596 PolarHBondContact O-N 2.99Å
594	Y	95.2	Very high	97.8	Very high	113 Å²	113	40.9 Å²	40.9	44%	0.443	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.1	-177	-179.8	-93.4	0	0	0	110.7	M525 A533 H565	M525-Y594 HydrophobicContact CE-CE1 3.85Å; A533-Y594 HydrophobicContact CB-CE1 3.73Å; H565-Y594 PolarHBondContact CD2-O 2.81Å
595	P	97.1	Very high	97.8	Very high	34 Å²	34	46.6 Å²	46.6	22%	0.221	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.5	2.6	7.8	37.9	-39.3	0	0	0	115.8	M525 H566 K568 S597	M525-P595 HydrophobicContact CE-CB 3.61Å; M525-P595 HydrophobicContact CE-CG 3.73Å; M525-P595 HydrophobicContact SD-CG 4.41Å; H566-P595 HydrophobicContact CB-CG 4.14Å; K568-P595 HydrophobicContact CB-CG 4.43Å; P595-S597 VanDerWaalsContact C-N 3.27Å; P595-S597 PolarHBondContact O-N 3.47Å
596	G	96.6	Very high	97.7	Very high	26 Å²	26	52 Å²	52	27%	0.268	27%	0.274	S	S	.	.			trans	82.5	-12.3	-179.6	0	0	0	0	0	115.8	H588 G591 F593	H588-G596 PolarHBondContact NE2-O 2.88Å; G591-G596 WeakPolarHBondContact O-CA 3.33Å; F593-G596 WeakPolarHBondContact O-CA 3.45Å; F593-G596 PolarHBondContact O-N 2.99Å
597	S	98.1	Very high	97.7	Very high	25 Å²	25	59.3 Å²	59.3	18%	0.175	31%	0.308	C	S	.	.			trans	-84.4	174.4	169.3	60.6	0	0	0	0	111.8	H566 H588 P595	H566-S597 VanDerWaalsContact ND1-C 3.25Å; H566-S597 PolarHBondContact ND1-O 3.41Å; H566-S597 PolarHBondContact ND1-OG 3.49Å; H588-S597 PolarHBondContact CD2-O 3.07Å; H588-S597 VanDerWaalsContact CD2-O 3.26Å; P595-S597 VanDerWaalsContact C-N 3.27Å; P595-S597 PolarHBondContact O-N 3.47Å
598	G	98.4	Very high	97.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.			trans	95.5	27.3	177.1	0	0	0	0	0	113.1	H566 H586 E602 N614	H566-G598 WeakPolarHBondContact CE1-CA 3.28Å; H566-G598 PolarHBondContact CE1-N 3.23Å; H566-G598 VanDerWaalsContact ND1-CA 3.28Å; H566-G598 WeakPolarHBondContact ND1-CA 3.43Å; H566-G598 PolarHBondContact ND1-N 2.9Å; H586-G598 PolarHBondContact CE1-O 3.38Å; H586-G598 PolarHBondContact NE2-O 2.9Å; G598-E602 PolarHBondContact N-OE1 2.91Å; G598-E602 PolarHBondContact N-OE2 2.94Å; G598-N614 VanDerWaalsContact O-CB 3.24Å; G598-N614 WeakPolarHBondContact O-CB 3.33Å
599	A	98.5	Very high	97.7	Very high	22 Å²	22	58.9 Å²	58.9	18%	0.182	31%	0.311	C	S	.	.			trans	-62.4	155.9	176.5	0	0	0	0	0	111.5	D601 E602 N614	A599-D601 VanDerWaalsContact CB-OD1 3.24Å; A599-D601 WeakPolarHBondContact CB-OD1 3.46Å; A599-D601 PolarHBondContact O-N 3.36Å; A599-D601 VanDerWaalsContact O-N 3.12Å; A599-E602 HydrophobicContact CB-CG 4.28Å; A599-E602 PolarHBondContact N-OE1 3.07Å; A599-E602 WeakPolarHBondContact O-CB 3.39Å; A599-E602 PolarHBondContact O-N 2.66Å; A599-N614 PolarHBondContact O-ND2 2.85Å
600	A	98.5	Very high	97.8	Very high	10 Å²	10	57.6 Å²	57.6	8%	0.083	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.8	-174.3	0	0	0	0	0	113.5	P616 R739 V740 I743	A600-P616 HydrophobicContact CB-CG 3.82Å; A600-R739 HydrophobicContact CB-CG 4.17Å; A600-V740 HydrophobicContact CB-CG2 4.12Å; A600-I743 HydrophobicContact CB-CD1 3.85Å; A600-I743 WeakPolarHBondContact O-CD1 3.45Å
601	D	98	Very high	97.9	Very high	103 Å²	103	54.7 Å²	54.7	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.4	177	59.1	-22.6	0	0	0	114	A599 I603 I743	A599-D601 VanDerWaalsContact CB-OD1 3.24Å; A599-D601 WeakPolarHBondContact CB-OD1 3.46Å; A599-D601 PolarHBondContact O-N 3.36Å; A599-D601 VanDerWaalsContact O-N 3.12Å; D601-I603 PolarHBondContact O-N 3.43Å; D601-I603 VanDerWaalsContact O-N 3.13Å; D601-I743 HydrophobicContact CB-CD1 4.19Å
602	E	98.6	Very high	98	Very high	54 Å²	54	53.4 Å²	53.4	25%	0.252	28%	0.276	S	S	.	.			trans	-74.7	95.8	163.4	-64.6	176	-133.7	0	0	108.6	Q571 G598 A599 T612 N614	Q571-E602 PolarHBondContact NE2-OE2 3.23Å; G598-E602 PolarHBondContact N-OE1 2.91Å; G598-E602 PolarHBondContact N-OE2 2.94Å; A599-E602 HydrophobicContact CB-CG 4.28Å; A599-E602 PolarHBondContact N-OE1 3.07Å; A599-E602 WeakPolarHBondContact O-CB 3.39Å; A599-E602 PolarHBondContact O-N 2.66Å; E602-T612 WeakPolarHBondContact O-CG2 3.29Å; E602-N614 PolarHBondContact O-ND2 3.22Å
603	I	98.5	Very high	98.1	Very high	30 Å²	30	45.9 Å²	45.9	15%	0.154	24%	0.236	C	C	.	.			trans	-113.5	12.4	-169.7	59.6	169.7	0	0	0	114.1	D601 V609 G610 I743 Y747	D601-I603 PolarHBondContact O-N 3.43Å; D601-I603 VanDerWaalsContact O-N 3.13Å; I603-V609 HydrophobicContact CD1-CG1 3.88Å; I603-V609 HydrophobicContact CG1-CG1 4.4Å; I603-V609 CarbonylContact O-C 3.25Å; I603-V609 WeakPolarHBondContact O-CA 3.24Å; I603-G610 PolarHBondContact O-N 3.37Å; I603-I743 HydrophobicContact CG2-CG2 3.58Å; I603-Y747 HydrophobicContact CD1-CE2 3.75Å; I603-Y747 WeakPolarHBondContact CD1-OH 3.49Å
604	G	98.5	Very high	98.2	Very high	14 Å²	14	45.1 Å²	45.1	14%	0.144	23%	0.233	C	C	.	.			trans	90.6	175.8	-170.7	0	0	0	0	0	112.2	E575	E575-G604 CarbonylContact O-C 3.51Å; E575-G604 VanDerWaalsContact O-CA 3.29Å; E575-G604 WeakPolarHBondContact O-CA 3.45Å
605	R	98.4	Very high	98.3	Very high	120 Å²	120	39.8 Å²	39.8	45%	0.453	21%	0.212	S	C	.	.			trans	-136.5	163.3	-176.2	68.5	-171.9	174.3	98.2	-4	111.3	E575 A576 E607 G608 V609	E575-R605 HydrophobicContact CB-CG 4.16Å; E575-R605 HydrophobicContact CG-CB 4.39Å; E575-R605 HydrophobicContact CG-CG 3.87Å; E575-R605 PolarHBondContact O-N 3.38Å; E575-R605 VanDerWaalsContact OE2-CD 3.25Å; E575-R605 WeakPolarHBondContact OE2-CD 3.47Å; E575-R605 IonicContact OE2-NE 2.77Å; E575-R605 PolarHBondContact OE2-NE 2.86Å; A576-R605 WeakPolarHBondContact CA-O 3.41Å; A576-R605 HydrophobicContact CB-CG 3.82Å; R605-E607 PolarHBondContact O-N 2.89Å; R605-G608 WeakPolarHBondContact O-CA 3.41Å; R605-G608 PolarHBondContact O-N 3.43Å; R605-V609 PolarHBondContact O-N 2.92Å
606	D	98.3	Very high	98.4	Very high	114 Å²	114	38.8 Å²	38.8	61%	0.61	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	51	-128.2	178	-52.6	-48.6	0	0	0	111.4	A576 G608 V609	A576-D606 HydrophobicContact CB-CB 4.3Å; D606-G608 PolarHBondContact O-N 3.11Å; D606-V609 WeakPolarHBondContact O-CG2 3.29Å
607	E	98.2	Very high	98.5	Very high	154 Å²	154	37.6 Å²	37.6	72%	0.72	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-71.4	-16.5	176.8	-61.7	-65.7	131.8	0	0	113.2	P578 R605 V609	P578-E607 WeakPolarHBondContact CB-O 3.5Å; P578-E607 HydrophobicContact CG-CB 4.03Å; R605-E607 PolarHBondContact O-N 2.89Å; E607-V609 VanDerWaalsContact C-N 3.33Å
608	G	98.4	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-83.2	0.5	178.6	0	0	0	0	0	114.7	R605 D606 G610 Y611	R605-G608 WeakPolarHBondContact O-CA 3.41Å; R605-G608 PolarHBondContact O-N 3.43Å; D606-G608 PolarHBondContact O-N 3.11Å; G608-G610 PolarHBondContact O-N 3.42Å; G608-Y611 WeakPolarHBondContact O-CB 3.49Å; G608-Y611 PolarHBondContact O-N 3.09Å
609	V	98.6	Very high	98.3	Very high	53 Å²	53	41.2 Å²	41.2	32%	0.321	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	126.1	176.5	174.1	0	0	0	0	110.9	I603 R605 D606 E607 Y747	I603-V609 HydrophobicContact CD1-CG1 3.88Å; I603-V609 HydrophobicContact CG1-CG1 4.4Å; I603-V609 CarbonylContact O-C 3.25Å; I603-V609 WeakPolarHBondContact O-CA 3.24Å; R605-V609 PolarHBondContact O-N 2.92Å; D606-V609 WeakPolarHBondContact O-CG2 3.29Å; E607-V609 VanDerWaalsContact C-N 3.33Å; V609-Y747 HydrophobicContact CG1-CD1 4.44Å; V609-Y747 HydrophobicContact CG1-CE1 3.56Å
610	G	98.4	Very high	98	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-13.9	-175.2	0	0	0	0	0	114.1	I603 G608 W748	I603-G610 PolarHBondContact O-N 3.37Å; G608-G610 PolarHBondContact O-N 3.42Å; G610-W748 VanDerWaalsContact O-CE2 3.31Å; G610-W748 VanDerWaalsContact O-CZ2 3.24Å; G610-W748 WeakPolarHBondContact O-CZ2 3.28Å; G610-W748 PolarHBondContact O-NE1 3.29Å
611	Y	98.7	Very high	97.9	Very high	72 Å²	72	47.1 Å²	47.1	28%	0.282	25%	0.252	S	S	.	.	S	Bend	trans	-95.5	4.1	-178.7	-63.1	-92.2	0	0	0	113.5	P578 L581 Y582 G608 F642 W748	P578-Y611 HydrophobicContact CB-CD2 3.83Å; P578-Y611 HydrophobicContact CB-CE1 4.24Å; P578-Y611 HydrophobicContact CB-CE2 3.48Å; P578-Y611 VanDerWaalsContact CB-CE2 3.48Å; P578-Y611 HydrophobicContact CB-CG 4.33Å; P578-Y611 WeakPolarHBondContact O-CD1 3.22Å; P578-Y611 WeakPolarHBondContact O-CE1 3.19Å; L581-Y611 CarbonylContact C-O 3.59Å; L581-Y611 WeakPolarHBondContact CA-O 3.25Å; Y582-Y611 PolarHBondContact N-O 3.01Å; G608-Y611 WeakPolarHBondContact O-CB 3.49Å; G608-Y611 PolarHBondContact O-N 3.09Å; Y611-F642 HydrophobicContact CD1-CD2 4.06Å; Y611-F642 AromaticContact CD1-CE2 3.75Å; Y611-F642 HydrophobicContact CD1-CE2 3.75Å; Y611-F642 AromaticContact CE1-CD2 3.82Å; Y611-F642 HydrophobicContact CE1-CD2 3.82Å; Y611-F642 AromaticContact CE1-CE2 3.63Å; Y611-F642 HydrophobicContact CE1-CE2 3.63Å; Y611-W748 HydrophobicContact CD1-CH2 4.36Å; Y611-W748 HydrophobicContact CD1-CZ2 4.41Å; Y611-W748 HydrophobicContact CE1-CH2 4.24Å
612	T	98.9	Very high	97.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.5	164.1	-61.4	0	0	0	0	108.7	Q571 Y582 E602 Q744	Q571-T612 HydrophobicContact CG-CG2 3.76Å; Y582-T612 HydrophobicContact CD1-CG2 4.24Å; Y582-T612 CarbonylContact O-C 3.53Å; Y582-T612 WeakPolarHBondContact O-CA 3.44Å; E602-T612 WeakPolarHBondContact O-CG2 3.29Å; T612-Q744 PolarHBondContact O-NE2 2.94Å
613	V	98.8	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	98.2	-177.3	-178.8	0	0	0	0	109.1	L581 Y582 L583 S584 V634 V638 Q744	L581-V613 HydrophobicContact CD1-CG2 4.07Å; Y582-V613 PolarHBondContact O-N 3.35Å; L583-V613 WeakPolarHBondContact CA-O 3.28Å; L583-V613 HydrophobicContact CD2-CB 3.49Å; L583-V613 VanDerWaalsContact CD2-CB 3.49Å; L583-V613 HydrophobicContact CD2-CG1 3.56Å; L583-V613 HydrophobicContact CD2-CG2 4.14Å; L583-V613 HydrophobicContact CG-CB 4.21Å; S584-V613 PolarHBondContact N-O 3.37Å; V613-V634 HydrophobicContact CG1-CG1 3.9Å; V613-V638 HydrophobicContact CG2-CG1 4.45Å; V613-Q744 HydrophobicContact CG1-CG 4.07Å
614	N	98.9	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.5	177.1	-67.6	-37.3	0	0	0	111.7	Q571 G598 A599 E602 P616 V740	Q571-N614 PolarHBondContact OE1-ND2 3.33Å; Q571-N614 PolarHBondContact OE1-OD1 3.22Å; G598-N614 VanDerWaalsContact O-CB 3.24Å; G598-N614 WeakPolarHBondContact O-CB 3.33Å; A599-N614 PolarHBondContact O-ND2 2.85Å; E602-N614 PolarHBondContact O-ND2 3.22Å; N614-P616 WeakPolarHBondContact O-CD 3.39Å; N614-V740 VanDerWaalsContact O-CG2 3.31Å; N614-V740 WeakPolarHBondContact O-CG2 3.46Å
615	I	98.9	Very high	97.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	83	169.8	-49.9	-174.1	0	0	0	107.9	S584 L585 H586 W617 A630 V634 V635 L737 V740	S584-I615 PolarHBondContact O-N 3.41Å; L585-I615 HydrophobicContact CD2-CD1 4Å; L585-I615 HydrophobicContact CG-CB 4.23Å; L585-I615 HydrophobicContact CG-CD1 3.97Å; L585-I615 HydrophobicContact CG-CG1 4.37Å; H586-I615 PolarHBondContact N-O 2.83Å; I615-W617 HydrophobicContact CG2-CD2 4.14Å; I615-W617 HydrophobicContact CG2-CE3 4.25Å; I615-W617 HydrophobicContact CG2-CH2 3.84Å; I615-W617 HydrophobicContact CG2-CZ2 3.7Å; I615-W617 HydrophobicContact CG2-CZ3 4.09Å; I615-W617 PolarHBondContact O-N 2.95Å; I615-A630 HydrophobicContact CD1-CB 3.87Å; I615-V634 HydrophobicContact CD1-CB 3.84Å; I615-V634 HydrophobicContact CD1-CG1 3.84Å; I615-V634 HydrophobicContact CD1-CG2 4.25Å; I615-V634 HydrophobicContact CG1-CG1 4.4Å; I615-V635 HydrophobicContact CD1-CG2 4.28Å; I615-L737 HydrophobicContact CG2-CD2 4.03Å; I615-V740 HydrophobicContact CG1-CG1 4.36Å
616	P	98.6	Very high	97.8	Very high	13 Å²	13	33.5 Å²	33.5	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	97.4	-177.2	31.7	-35.3	0	0	0	110.6	H588 A600 N614	H588-P616 HydrophobicContact CB-CB 3.41Å; H588-P616 VanDerWaalsContact CB-CB 3.41Å; A600-P616 HydrophobicContact CB-CG 3.82Å; N614-P616 WeakPolarHBondContact O-CD 3.39Å
617	W	98.7	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	146.3	175.5	-59.7	124	0	0	0	111.7	H586 H588 D589 I615 M622 E626 Y627 A630 Y666 A733 A736 L737	H586-W617 WeakPolarHBondContact O-CB 3.32Å; H586-W617 PolarHBondContact O-N 2.97Å; H588-W617 PolarHBondContact N-O 3.44Å; D589-W617 PolarHBondContact N-O 2.99Å; I615-W617 HydrophobicContact CG2-CD2 4.14Å; I615-W617 HydrophobicContact CG2-CE3 4.25Å; I615-W617 HydrophobicContact CG2-CH2 3.84Å; I615-W617 HydrophobicContact CG2-CZ2 3.7Å; I615-W617 HydrophobicContact CG2-CZ3 4.09Å; I615-W617 PolarHBondContact O-N 2.95Å; W617-M622 HydrophobicContact CB-CE 4.05Å; W617-M622 HydrophobicContact CB-CG 3.91Å; W617-M622 HydrophobicContact CB-SD 4.18Å; W617-M622 HydrophobicContact CD2-CG 4.19Å; W617-M622 HydrophobicContact CD2-SD 3.87Å; W617-M622 HydrophobicContact CE3-CE 4.31Å; W617-M622 HydrophobicContact CE3-SD 3.77Å; W617-M622 HydrophobicContact CG-CG 3.87Å; W617-M622 HydrophobicContact CG-SD 4.09Å; W617-M622 HydrophobicContact CZ3-SD 4.41Å; W617-E626 HydrophobicContact CH2-CB 4.27Å; W617-E626 WeakPolarHBondContact CH2-O 3.38Å; W617-E626 HydrophobicContact CZ2-CB 4.47Å; W617-Y627 AromaticContact NE1-CE2 3.48Å; W617-Y627 AromaticContact NE1-CZ 3.64Å; W617-A630 HydrophobicContact CH2-CB 3.81Å; W617-A630 HydrophobicContact CZ2-CB 3.59Å; W617-Y666 HydrophobicContact CB-CE2 4.15Å; W617-Y666 WeakPolarHBondContact CB-OH 3.14Å; W617-Y666 HydrophobicContact CG-CE2 4.36Å; W617-A733 HydrophobicContact CE3-CB 4.05Å; W617-A733 HydrophobicContact CH2-CB 4.4Å; W617-A733 HydrophobicContact CZ3-CB 3.6Å; W617-A736 HydrophobicContact CE3-CB 3.99Å; W617-A736 HydrophobicContact CZ3-CB 4.22Å; W617-L737 HydrophobicContact CH2-CD1 4.11Å; W617-L737 HydrophobicContact CH2-CD2 3.78Å; W617-L737 HydrophobicContact CH2-CG 3.86Å; W617-L737 HydrophobicContact CZ3-CD1 4.38Å; W617-L737 HydrophobicContact CZ3-CD2 4.17Å; W617-L737 HydrophobicContact CZ3-CG 3.88Å
618	Y	97.8	Very high	97.8	Very high	46 Å²	46	20.9 Å²	20.9	18%	0.18	13%	0.128	C	C	.	.			trans	-151.4	166.4	174.7	66.7	-89.6	0	0	0	110.6	H590 M622 S732 Q735 A736	H590-Y618 AromaticContact CE1-CD1 3.73Å; H590-Y618 AromaticContact CE1-CD2 3.41Å; H590-Y618 VanDerWaalsContact CE1-CD2 3.41Å; H590-Y618 WeakPolarHBondContact CE1-CD2 3.32Å; H590-Y618 AromaticContact CE1-CE1 3.93Å; H590-Y618 AromaticContact CE1-CE2 3.63Å; H590-Y618 AromaticContact CE1-CG 3.46Å; H590-Y618 VanDerWaalsContact CE1-CG 3.46Å; H590-Y618 AromaticContact CE1-CZ 3.87Å; H590-Y618 AromaticContact NE2-CD2 3.23Å; H590-Y618 WeakPolarHBondContact NE2-CD2 3.17Å; H590-Y618 AromaticContact NE2-CE2 3.66Å; H590-Y618 AromaticContact NE2-CG 3.62Å; Y618-M622 WeakPolarHBondContact O-CE 3.22Å; Y618-S732 WeakPolarHBondContact O-CB 3.47Å; Y618-S732 PolarHBondContact O-OG 3.42Å; Y618-Q735 WeakPolarHBondContact OH-CB 3.24Å; Y618-Q735 PolarHBondContact OH-OE1 2.84Å; Y618-A736 HydrophobicContact CD1-CB 4.14Å; Y618-A736 HydrophobicContact CE1-CB 3.8Å
619	G	95.1	Very high	97.7	Very high	56 Å²	56	20.9 Å²	20.9	58%	0.577	13%	0.128	S	C	*	.	S	Bend	trans	86	-116.1	173.8	0	0	0	0	0	111.9
620	D	91.6	Very high	97.7	Very high	98 Å²	98	18.3 Å²	18.3	52%	0.524	11%	0.113	S	C	.	.	S	Bend	trans	-67.8	160.3	-177	-63.6	-36.4	0	0	0	112.3	M622 S732	D620-M622 WeakPolarHBondContact O-CE 3.27Å; D620-M622 PolarHBondContact O-N 2.68Å; D620-S732 PolarHBondContact N-OG 3.04Å
621	S	96	Very high	97.7	Very high	57 Å²	57	18.3 Å²	18.3	40%	0.399	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-64.9	123.4	170.7	-178.3	0	0	0	0	109.9	G665	S621-G665 PolarHBondContact OG-O 2.83Å
622	M	98.3	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-77.6	144.2	-179.8	-54	-71.9	143.1	0	0	110.7	W617 Y618 D620 E626 Y627 Y666 K667 S732 A733	W617-M622 HydrophobicContact CB-CE 4.05Å; W617-M622 HydrophobicContact CB-CG 3.91Å; W617-M622 HydrophobicContact CB-SD 4.18Å; W617-M622 HydrophobicContact CD2-CG 4.19Å; W617-M622 HydrophobicContact CD2-SD 3.87Å; W617-M622 HydrophobicContact CE3-CE 4.31Å; W617-M622 HydrophobicContact CE3-SD 3.77Å; W617-M622 HydrophobicContact CG-CG 3.87Å; W617-M622 HydrophobicContact CG-SD 4.09Å; W617-M622 HydrophobicContact CZ3-SD 4.41Å; Y618-M622 WeakPolarHBondContact O-CE 3.22Å; D620-M622 WeakPolarHBondContact O-CE 3.27Å; D620-M622 PolarHBondContact O-N 2.68Å; M622-E626 HydrophobicContact CB-CB 4.3Å; M622-E626 HydrophobicContact SD-CB 3.85Å; M622-E626 HydrophobicContact SD-CG 3.65Å; M622-Y627 HydrophobicContact CB-CE2 4.16Å; M622-Y666 HydrophobicContact CB-CD1 4.06Å; M622-Y666 HydrophobicContact CB-CD2 3.69Å; M622-Y666 HydrophobicContact CB-CE1 4.11Å; M622-Y666 HydrophobicContact CB-CE2 3.74Å; M622-Y666 HydrophobicContact CB-CG 3.86Å; M622-Y666 HydrophobicContact CG-CD1 4.21Å; M622-Y666 HydrophobicContact CG-CD2 3.97Å; M622-Y666 HydrophobicContact CG-CE1 3.73Å; M622-Y666 HydrophobicContact CG-CE2 3.45Å; M622-Y666 VanDerWaalsContact CG-CE2 3.45Å; M622-Y666 HydrophobicContact CG-CG 4.33Å; M622-Y666 VanDerWaalsContact N-CD1 3.25Å; M622-Y666 WeakPolarHBondContact O-CB 3.42Å; M622-K667 PolarHBondContact O-N 2.96Å; M622-S732 WeakPolarHBondContact CE-OG 3.31Å; M622-A733 HydrophobicContact CE-CB 4.26Å; M622-A733 HydrophobicContact SD-CB 3.78Å
623	G	98	Very high	97.3	Very high	14 Å²	14	17.9 Å²	17.9	14%	0.144	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-124.3	-163.6	171.7	0	0	0	0	0	111.4	A625 E626 L668	G623-A625 VanDerWaalsContact C-N 3.34Å; G623-A625 PolarHBondContact O-N 3.49Å; G623-E626 WeakPolarHBondContact CA-OE2 3.21Å; G623-E626 PolarHBondContact N-OE2 2.88Å; G623-E626 PolarHBondContact O-N 3.3Å; G623-L668 VanDerWaalsContact O-CD2 3.26Å; G623-L668 WeakPolarHBondContact O-CD2 3.47Å
624	D	98.3	Very high	97.3	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.059	11%	0.11	C	C	.	.	H	α-helix	trans	-58.3	-43	-177.3	-65.8	-6.6	0	0	0	112.9	E626 Y627 L628 S669 L672 S724	D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.38Å; D624-Y627 PolarHBondContact O-N 3.25Å; D624-L628 WeakPolarHBondContact O-CB 3.27Å; D624-L628 VanDerWaalsContact O-CG 3.25Å; D624-L628 WeakPolarHBondContact O-CG 3.36Å; D624-L628 PolarHBondContact O-N 3.47Å; D624-S669 VanDerWaalsContact CG-OG 3.32Å; D624-S669 PolarHBondContact OD1-N 3.21Å; D624-S669 PolarHBondContact OD1-OG 2.87Å; D624-S669 WeakPolarHBondContact OD2-CB 3.33Å; D624-S669 PolarHBondContact OD2-OG 3.18Å; D624-L672 HydrophobicContact CB-CD1 4.15Å; D624-L672 HydrophobicContact CB-CD2 4.46Å; D624-L672 WeakPolarHBondContact OD1-CB 2.94Å; D624-S724 WeakPolarHBondContact OD2-CB 3.47Å; D624-S724 PolarHBondContact OD2-OG 3.47Å
625	A	97.4	Very high	97.3	Very high	6 Å²	6	17.9 Å²	17.9	5%	0.05	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-39.1	-176.2	0	0	0	0	0	112.8	G623 A629 K727	G623-A625 VanDerWaalsContact C-N 3.34Å; G623-A625 PolarHBondContact O-N 3.49Å; A625-A629 WeakPolarHBondContact O-CB 3.41Å; A625-A629 PolarHBondContact O-N 2.89Å; A625-K727 HydrophobicContact CB-CB 4.41Å; A625-K727 VanDerWaalsContact CB-O 3.32Å; A625-K727 WeakPolarHBondContact CB-O 3.34Å
626	E	98.1	Very high	97.2	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-70.4	-41.9	-178.9	-67.6	72.8	-149.1	0	0	112	W617 M622 G623 D624 A629 A630 P729 C730 A733	W617-E626 HydrophobicContact CH2-CB 4.27Å; W617-E626 WeakPolarHBondContact CH2-O 3.38Å; W617-E626 HydrophobicContact CZ2-CB 4.47Å; M622-E626 HydrophobicContact CB-CB 4.3Å; M622-E626 HydrophobicContact SD-CB 3.85Å; M622-E626 HydrophobicContact SD-CG 3.65Å; G623-E626 WeakPolarHBondContact CA-OE2 3.21Å; G623-E626 PolarHBondContact N-OE2 2.88Å; G623-E626 PolarHBondContact O-N 3.3Å; D624-E626 VanDerWaalsContact C-N 3.27Å; D624-E626 PolarHBondContact O-N 3.38Å; E626-A629 PolarHBondContact O-N 2.75Å; E626-A630 PolarHBondContact O-N 2.91Å; E626-P729 HydrophobicContact CG-CB 4.15Å; E626-P729 WeakPolarHBondContact OE1-CA 3.35Å; E626-C730 PolarHBondContact OE1-N 2.85Å; E626-A733 HydrophobicContact CB-CB 3.97Å; E626-A733 HydrophobicContact CG-CB 3.32Å
627	Y	98.5	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.9	-37.7	176.3	-85.2	-111.2	0	0	0	111.8	L585 W617 M622 D624 A629 A630 F631 Y666 L668 L672 M676	L585-Y627 HydrophobicContact CB-CE1 3.91Å; L585-Y627 HydrophobicContact CD2-CD1 4.14Å; L585-Y627 HydrophobicContact CD2-CE1 4.34Å; L585-Y627 PolarHBondContact O-OH 3.47Å; W617-Y627 AromaticContact NE1-CE2 3.48Å; W617-Y627 AromaticContact NE1-CZ 3.64Å; M622-Y627 HydrophobicContact CB-CE2 4.16Å; D624-Y627 PolarHBondContact O-N 3.25Å; Y627-A629 VanDerWaalsContact C-N 3.33Å; Y627-A629 PolarHBondContact O-N 3.07Å; Y627-A630 PolarHBondContact O-N 3.31Å; Y627-F631 WeakPolarHBondContact O-CD2 3.44Å; Y627-F631 PolarHBondContact O-N 2.94Å; Y627-Y666 HydrophobicContact CE2-CD2 4.4Å; Y627-L668 HydrophobicContact CD1-CD1 3.89Å; Y627-L668 HydrophobicContact CD2-CD1 3.9Å; Y627-L668 HydrophobicContact CD2-CD2 3.51Å; Y627-L668 HydrophobicContact CD2-CG 4.34Å; Y627-L668 HydrophobicContact CE1-CD1 3.69Å; Y627-L668 HydrophobicContact CE2-CD1 3.7Å; Y627-L668 HydrophobicContact CE2-CD2 3.78Å; Y627-L668 HydrophobicContact CE2-CG 4.26Å; Y627-L668 HydrophobicContact CG-CD1 3.99Å; Y627-L668 HydrophobicContact CG-CD2 4.09Å; Y627-L672 HydrophobicContact CG-CD2 4.14Å; Y627-M676 HydrophobicContact CD1-CE 4.44Å; Y627-M676 HydrophobicContact CD1-SD 3.91Å
628	L	97.7	Very high	97.2	Very high	3 Å²	3	20 Å²	20	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-58.2	-46	171.5	-72	171.9	0	0	0	111.2	D624 F631 R632 L672 Y675 L720 L725 Q761	D624-L628 WeakPolarHBondContact O-CB 3.27Å; D624-L628 VanDerWaalsContact O-CG 3.25Å; D624-L628 WeakPolarHBondContact O-CG 3.36Å; D624-L628 PolarHBondContact O-N 3.47Å; L628-F631 PolarHBondContact O-N 3.42Å; L628-R632 VanDerWaalsContact O-CB 3.31Å; L628-R632 WeakPolarHBondContact O-CB 3.26Å; L628-R632 PolarHBondContact O-N 3.1Å; L628-L672 HydrophobicContact CD2-CD1 3.89Å; L628-L672 HydrophobicContact CG-CD1 3.82Å; L628-Y675 HydrophobicContact CD2-CD1 3.45Å; L628-Y675 VanDerWaalsContact CD2-CD1 3.45Å; L628-Y675 HydrophobicContact CD2-CE1 3.28Å; L628-Y675 HydrophobicContact CD2-CE2 4.37Å; L628-Y675 HydrophobicContact CD2-CG 4.1Å; L628-L720 HydrophobicContact CD1-CD1 4.16Å; L628-L720 HydrophobicContact CD2-CD1 3.93Å; L628-L725 HydrophobicContact CD1-CD2 4.45Å; L628-Q761 HydrophobicContact CD1-CB 4.37Å
629	A	96.6	Very high	97.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-41.4	176.4	0	0	0	0	0	112.5	A625 E626 Y627 F631 R632 Y633 P729 L737	A625-A629 WeakPolarHBondContact O-CB 3.41Å; A625-A629 PolarHBondContact O-N 2.89Å; E626-A629 PolarHBondContact O-N 2.75Å; Y627-A629 VanDerWaalsContact C-N 3.33Å; Y627-A629 PolarHBondContact O-N 3.07Å; A629-F631 VanDerWaalsContact C-N 3.32Å; A629-F631 PolarHBondContact O-N 2.93Å; A629-R632 PolarHBondContact O-N 3.18Å; A629-Y633 HydrophobicContact CB-CD2 3.99Å; A629-Y633 HydrophobicContact CB-CE2 4.07Å; A629-Y633 WeakPolarHBondContact O-CB 3.31Å; A629-Y633 WeakPolarHBondContact O-CD2 3.41Å; A629-Y633 PolarHBondContact O-N 3.13Å; A629-P729 HydrophobicContact CB-CB 4.39Å; A629-P729 HydrophobicContact CB-CG 3.31Å; A629-L737 HydrophobicContact CB-CD1 3.91Å
630	A	98.1	Very high	97.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-42.4	174.6	0	0	0	0	0	112.3	L585 I615 W617 E626 Y627 V634 V635 L737	L585-A630 HydrophobicContact CD2-CB 3.48Å; L585-A630 VanDerWaalsContact CD2-CB 3.48Å; I615-A630 HydrophobicContact CD1-CB 3.87Å; W617-A630 HydrophobicContact CH2-CB 3.81Å; W617-A630 HydrophobicContact CZ2-CB 3.59Å; E626-A630 PolarHBondContact O-N 2.91Å; Y627-A630 PolarHBondContact O-N 3.31Å; A630-V634 WeakPolarHBondContact O-CA 3.45Å; A630-V634 WeakPolarHBondContact O-CB 3.29Å; A630-V634 PolarHBondContact O-N 3.01Å; A630-V635 PolarHBondContact O-N 2.9Å; A630-L737 HydrophobicContact CB-CD2 3.97Å
631	F	97.9	Very high	97.7	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	9%	0.088	C	C	.	.	I	π-helix	trans	-61.5	-52.5	175.8	-95.6	-114.4	0	0	0	111.2	V560 W562 L585 Y627 L628 A629 Y633 V635 L636 M676 A679 L680	V560-F631 HydrophobicContact CG1-CZ 4.41Å; W562-F631 HydrophobicContact CE3-CZ 4.38Å; L585-F631 HydrophobicContact CD1-CE2 4.35Å; L585-F631 HydrophobicContact CD2-CD2 4.28Å; L585-F631 HydrophobicContact CD2-CE2 4.22Å; Y627-F631 WeakPolarHBondContact O-CD2 3.44Å; Y627-F631 PolarHBondContact O-N 2.94Å; L628-F631 PolarHBondContact O-N 3.42Å; A629-F631 VanDerWaalsContact C-N 3.32Å; A629-F631 PolarHBondContact O-N 2.93Å; F631-Y633 PolarHBondContact O-N 3Å; F631-V635 HydrophobicContact CD1-CB 4.46Å; F631-V635 HydrophobicContact CD1-CG1 4.43Å; F631-V635 HydrophobicContact CD2-CB 4.38Å; F631-V635 HydrophobicContact CD2-CG2 3.97Å; F631-V635 HydrophobicContact CE1-CG1 4.31Å; F631-V635 HydrophobicContact CE2-CG2 4.19Å; F631-V635 HydrophobicContact CG-CB 4.27Å; F631-V635 HydrophobicContact CG-CG2 4.33Å; F631-V635 HydrophobicContact CZ-CG1 4.39Å; F631-V635 PolarHBondContact O-N 3.2Å; F631-L636 HydrophobicContact CB-CG 4.47Å; F631-L636 HydrophobicContact CD1-CD2 4.06Å; F631-L636 HydrophobicContact CD1-CG 4.33Å; F631-L636 WeakPolarHBondContact O-CB 3.31Å; F631-L636 VanDerWaalsContact O-CG 3.3Å; F631-L636 WeakPolarHBondContact O-CG 3.47Å; F631-L636 PolarHBondContact O-N 3.2Å; F631-M676 HydrophobicContact CD1-CB 4.44Å; F631-M676 HydrophobicContact CD1-CG 4.23Å; F631-M676 HydrophobicContact CD2-CG 4.05Å; F631-M676 HydrophobicContact CD2-SD 3.9Å; F631-M676 HydrophobicContact CE1-CB 3.72Å; F631-M676 HydrophobicContact CE1-CG 3.86Å; F631-M676 HydrophobicContact CE1-SD 4.49Å; F631-M676 HydrophobicContact CE2-CB 4.23Å; F631-M676 HydrophobicContact CE2-CG 3.68Å; F631-M676 HydrophobicContact CE2-SD 3.28Å; F631-M676 WeakPolarHBondContact CE2-SD 3.2Å; F631-M676 HydrophobicContact CG-CG 4.33Å; F631-M676 HydrophobicContact CZ-CB 3.6Å; F631-M676 HydrophobicContact CZ-CG 3.58Å; F631-M676 HydrophobicContact CZ-SD 3.63Å; F631-A679 HydrophobicContact CD1-CB 4.34Å; F631-L680 HydrophobicContact CE1-CD2 4.2Å; F631-L680 HydrophobicContact CE1-CG 4.14Å
632	R	94.7	Very high	97.8	Very high	43 Å²	43	13.3 Å²	13.3	16%	0.162	7%	0.07	C	C	.	.	I	π-helix	trans	-60.6	-45.2	-177.9	-178.6	178.2	-7	153.4	1.7	113.5	L628 A629 P637 T759 S760 Q761 C764	L628-R632 VanDerWaalsContact O-CB 3.31Å; L628-R632 WeakPolarHBondContact O-CB 3.26Å; L628-R632 PolarHBondContact O-N 3.1Å; A629-R632 PolarHBondContact O-N 3.18Å; R632-P637 VanDerWaalsContact O-CD 3.23Å; R632-P637 WeakPolarHBondContact O-CD 3.5Å; R632-P637 WeakPolarHBondContact O-CG 3.49Å; R632-T759 PolarHBondContact NH1-O 3.46Å; R632-S760 PolarHBondContact NH1-O 3.25Å; R632-Q761 VanDerWaalsContact CZ-OE1 3.22Å; R632-Q761 VanDerWaalsContact NE-OE1 3.12Å; R632-C764 PolarHBondContact NH1-SG 3.46Å
633	Y	96.1	Very high	97.8	Very high	23 Å²	23	18.3 Å²	18.3	9%	0.09	9%	0.093	C	C	.	.	I	π-helix	trans	-97.4	-20.9	-169.9	-61	-59.1	0	0	0	114.2	A629 F631 L741 V755 L757	A629-Y633 HydrophobicContact CB-CD2 3.99Å; A629-Y633 HydrophobicContact CB-CE2 4.07Å; A629-Y633 WeakPolarHBondContact O-CB 3.31Å; A629-Y633 WeakPolarHBondContact O-CD2 3.41Å; A629-Y633 PolarHBondContact O-N 3.13Å; F631-Y633 PolarHBondContact O-N 3Å; Y633-L741 WeakPolarHBondContact O-CD2 3.3Å; Y633-V755 HydrophobicContact CD1-CB 4.42Å; Y633-V755 HydrophobicContact CD1-CG1 4Å; Y633-V755 HydrophobicContact CD1-CG2 3.68Å; Y633-V755 HydrophobicContact CE1-CG1 4.37Å; Y633-V755 HydrophobicContact CE1-CG2 3.39Å; Y633-V755 HydrophobicContact CG-CG1 4.32Å; Y633-L757 HydrophobicContact CD1-CD2 4.5Å; Y633-L757 HydrophobicContact CD2-CD2 3.36Å; Y633-L757 HydrophobicContact CE2-CD2 3.64Å; Y633-L757 HydrophobicContact CG-CD2 3.84Å
634	V	97.8	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-123.8	-63	-176.5	-173.2	0	0	0	0	111.3	V613 I615 A630 P637 V638 L737 V740 L741	V613-V634 HydrophobicContact CG1-CG1 3.9Å; I615-V634 HydrophobicContact CD1-CB 3.84Å; I615-V634 HydrophobicContact CD1-CG1 3.84Å; I615-V634 HydrophobicContact CD1-CG2 4.25Å; I615-V634 HydrophobicContact CG1-CG1 4.4Å; A630-V634 WeakPolarHBondContact O-CA 3.45Å; A630-V634 WeakPolarHBondContact O-CB 3.29Å; A630-V634 PolarHBondContact O-N 3.01Å; V634-P637 WeakPolarHBondContact O-CD 3.49Å; V634-V638 HydrophobicContact CG1-CG2 4.43Å; V634-V638 VanDerWaalsContact O-CB 3.3Å; V634-V638 WeakPolarHBondContact O-CB 3.18Å; V634-V638 WeakPolarHBondContact O-CG2 3.41Å; V634-V638 PolarHBondContact O-N 3.05Å; V634-L737 HydrophobicContact CG2-CD2 3.98Å; V634-V740 HydrophobicContact CG1-CG1 3.95Å; V634-V740 HydrophobicContact CG2-CG1 4.25Å; V634-L741 HydrophobicContact CG2-CD2 4.01Å; V634-L741 HydrophobicContact CG2-CG 4.3Å
635	V	98.5	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-62	-56.7	-168.6	-175.2	0	0	0	0	111.4	L583 L585 I615 A630 F631 V638 L639	L583-V635 HydrophobicContact CD1-CG1 4.24Å; L585-V635 HydrophobicContact CD1-CG2 4.06Å; L585-V635 HydrophobicContact CD2-CG2 4.26Å; I615-V635 HydrophobicContact CD1-CG2 4.28Å; A630-V635 PolarHBondContact O-N 2.9Å; F631-V635 HydrophobicContact CD1-CB 4.46Å; F631-V635 HydrophobicContact CD1-CG1 4.43Å; F631-V635 HydrophobicContact CD2-CB 4.38Å; F631-V635 HydrophobicContact CD2-CG2 3.97Å; F631-V635 HydrophobicContact CE1-CG1 4.31Å; F631-V635 HydrophobicContact CE2-CG2 4.19Å; F631-V635 HydrophobicContact CG-CB 4.27Å; F631-V635 HydrophobicContact CG-CG2 4.33Å; F631-V635 HydrophobicContact CZ-CG1 4.39Å; F631-V635 PolarHBondContact O-N 3.2Å; V635-V638 PolarHBondContact O-N 2.88Å; V635-L639 HydrophobicContact CG1-CD1 3.95Å; V635-L639 HydrophobicContact CG1-CG 4.43Å; V635-L639 VanDerWaalsContact O-CG 3.28Å; V635-L639 WeakPolarHBondContact O-CG 3.29Å; V635-L639 PolarHBondContact O-N 3.36Å
636	L	98.1	Very high	97.9	Very high	35 Å²	35	19.7 Å²	19.7	18%	0.183	10%	0.097	C	C	.	.	H	α-helix	trans	-66	-45.2	-176.4	-54.6	-178.8	0	0	0	112	F631 V638 L639 D640 A679 Y683	F631-L636 HydrophobicContact CB-CG 4.47Å; F631-L636 HydrophobicContact CD1-CD2 4.06Å; F631-L636 HydrophobicContact CD1-CG 4.33Å; F631-L636 WeakPolarHBondContact O-CB 3.31Å; F631-L636 VanDerWaalsContact O-CG 3.3Å; F631-L636 WeakPolarHBondContact O-CG 3.47Å; F631-L636 PolarHBondContact O-N 3.2Å; L636-V638 VanDerWaalsContact C-N 3.29Å; L636-V638 PolarHBondContact O-N 3.16Å; L636-L639 HydrophobicContact CD2-CD1 4.39Å; L636-L639 PolarHBondContact O-N 3.03Å; L636-L639 VanDerWaalsContact O-N 3.14Å; L636-D640 PolarHBondContact O-N 3.43Å; L636-A679 HydrophobicContact CD1-CB 4.34Å; L636-A679 HydrophobicContact CD2-CB 4.15Å; L636-Y683 HydrophobicContact CD2-CE2 3.81Å; L636-Y683 PolarHBondContact O-OH 2.9Å
637	P	97.5	Very high	98	Very high	24 Å²	24	19.5 Å²	19.5	16%	0.156	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-30.9	174.8	-29.6	39.4	0	0	0	115.1	R632 V634 Q641 I751	R632-P637 VanDerWaalsContact O-CD 3.23Å; R632-P637 WeakPolarHBondContact O-CD 3.5Å; R632-P637 WeakPolarHBondContact O-CG 3.49Å; V634-P637 WeakPolarHBondContact O-CD 3.49Å; P637-Q641 WeakPolarHBondContact O-CG 3.44Å; P637-Q641 PolarHBondContact O-NE2 3.05Å; P637-I751 HydrophobicContact CB-CG2 3.81Å
638	V	98.5	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.6	-45.2	173.1	171.3	0	0	0	0	110	L581 L583 V613 V634 V635 L636 D640 Q641 F642 W748 I751	L581-V638 HydrophobicContact CD1-CG1 4.08Å; L581-V638 HydrophobicContact CD2-CG1 3.68Å; L583-V638 HydrophobicContact CD2-CG1 4.38Å; V613-V638 HydrophobicContact CG2-CG1 4.45Å; V634-V638 HydrophobicContact CG1-CG2 4.43Å; V634-V638 VanDerWaalsContact O-CB 3.3Å; V634-V638 WeakPolarHBondContact O-CB 3.18Å; V634-V638 WeakPolarHBondContact O-CG2 3.41Å; V634-V638 PolarHBondContact O-N 3.05Å; V635-V638 PolarHBondContact O-N 2.88Å; L636-V638 VanDerWaalsContact C-N 3.29Å; L636-V638 PolarHBondContact O-N 3.16Å; V638-D640 VanDerWaalsContact C-N 3.3Å; V638-D640 PolarHBondContact O-N 3.31Å; V638-Q641 PolarHBondContact O-N 3.48Å; V638-F642 WeakPolarHBondContact O-CB 3.5Å; V638-F642 PolarHBondContact O-N 3.29Å; V638-W748 HydrophobicContact CB-CD2 4.47Å; V638-W748 HydrophobicContact CG1-CD2 3.82Å; V638-W748 HydrophobicContact CG1-CE3 4.23Å; V638-W748 HydrophobicContact CG1-CG 4.24Å; V638-W748 HydrophobicContact CG1-CH2 4.38Å; V638-W748 HydrophobicContact CG1-CZ2 4Å; V638-W748 HydrophobicContact CG1-CZ3 4.49Å; V638-W748 HydrophobicContact CG2-CB 4.12Å; V638-W748 HydrophobicContact CG2-CD2 4.27Å; V638-W748 HydrophobicContact CG2-CG 3.82Å; V638-I751 HydrophobicContact CG2-CG2 4.16Å
639	L	98.6	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-37.1	176	-68.7	176.2	0	0	0	112.4	A558 L581 L583 V635 L636 Q641 F642 Q643 P644 I647 L680 Y683	A558-L639 HydrophobicContact CB-CD2 3.55Å; L581-L639 HydrophobicContact CD2-CD2 4.05Å; L583-L639 HydrophobicContact CD1-CD2 3.89Å; L583-L639 HydrophobicContact CD1-CG 4.19Å; V635-L639 HydrophobicContact CG1-CD1 3.95Å; V635-L639 HydrophobicContact CG1-CG 4.43Å; V635-L639 VanDerWaalsContact O-CG 3.28Å; V635-L639 WeakPolarHBondContact O-CG 3.29Å; V635-L639 PolarHBondContact O-N 3.36Å; L636-L639 HydrophobicContact CD2-CD1 4.39Å; L636-L639 PolarHBondContact O-N 3.03Å; L636-L639 VanDerWaalsContact O-N 3.14Å; L639-Q641 PolarHBondContact O-N 3.25Å; L639-F642 PolarHBondContact O-N 2.97Å; L639-Q643 PolarHBondContact O-N 3.42Å; L639-P644 HydrophobicContact CD2-CG 4.25Å; L639-I647 HydrophobicContact CD1-CD1 4.43Å; L639-L680 HydrophobicContact CD1-CD2 3.51Å; L639-Y683 HydrophobicContact CB-CD1 3.87Å; L639-Y683 HydrophobicContact CB-CE1 3.62Å; L639-Y683 HydrophobicContact CB-CE2 4.46Å; L639-Y683 HydrophobicContact CB-CG 4.39Å; L639-Y683 HydrophobicContact CD1-CD2 4.35Å; L639-Y683 HydrophobicContact CD1-CE2 4.42Å
640	D	98	Very high	98.2	Very high	64 Å²	64	19.3 Å²	19.3	34%	0.342	10%	0.095	S	C	.	.	H	α-helix	trans	-59.1	-30.6	173.9	-82.5	-6	0	0	0	113.2	L636 V638 Q643 Y683	L636-D640 PolarHBondContact O-N 3.43Å; V638-D640 VanDerWaalsContact C-N 3.3Å; V638-D640 PolarHBondContact O-N 3.31Å; D640-Q643 PolarHBondContact O-NE2 3.43Å; D640-Y683 WeakPolarHBondContact OD1-CE1 3.5Å; D640-Y683 VanDerWaalsContact OD1-CZ 3.26Å; D640-Y683 PolarHBondContact OD1-OH 2.69Å
641	Q	98.4	Very high	98.2	Very high	46 Å²	46	19.3 Å²	19.3	22%	0.215	10%	0.095	C	C	.	.	H	α-helix	trans	-91.2	-40.8	179.4	-69	175.2	93.9	0	0	111.1	P637 V638 L639 W748 K750	P637-Q641 WeakPolarHBondContact O-CG 3.44Å; P637-Q641 PolarHBondContact O-NE2 3.05Å; V638-Q641 PolarHBondContact O-N 3.48Å; L639-Q641 PolarHBondContact O-N 3.25Å; Q641-W748 HydrophobicContact CB-CE3 3.59Å; Q641-W748 HydrophobicContact CB-CZ3 3.91Å; Q641-W748 PolarHBondContact NE2-O 3.42Å; Q641-K750 HydrophobicContact CG-CB 4.06Å; Q641-K750 HydrophobicContact CG-CD 3.7Å; Q641-K750 HydrophobicContact CG-CG 3.82Å
642	F	98.6	Very high	98.2	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-69.9	-34.4	179.7	-177.9	-114.2	0	0	0	112.7	K556 I557 A558 L581 Y611 V638 L639 P644 W748	K556-F642 HydrophobicContact CB-CE1 3.89Å; K556-F642 HydrophobicContact CB-CE2 4.28Å; K556-F642 HydrophobicContact CB-CZ 3.64Å; K556-F642 HydrophobicContact CD-CD2 4.41Å; K556-F642 HydrophobicContact CD-CE2 4.06Å; K556-F642 HydrophobicContact CD-CZ 4.28Å; K556-F642 WeakPolarHBondContact CD-O 3.3Å; K556-F642 WeakPolarHBondContact CE-O 3.27Å; K556-F642 HydrophobicContact CG-CE2 4.19Å; K556-F642 HydrophobicContact CG-CZ 4.03Å; K556-F642 PolarHBondContact NZ-O 3.36Å; I557-F642 WeakPolarHBondContact O-CE1 3.41Å; A558-F642 HydrophobicContact CB-CD1 4.31Å; A558-F642 HydrophobicContact CB-CE1 4.24Å; L581-F642 HydrophobicContact CB-CD1 3.67Å; L581-F642 HydrophobicContact CB-CD2 4.06Å; L581-F642 HydrophobicContact CB-CE1 3.53Å; L581-F642 HydrophobicContact CB-CE2 3.92Å; L581-F642 HydrophobicContact CB-CG 3.92Å; L581-F642 HydrophobicContact CB-CZ 3.64Å; L581-F642 HydrophobicContact CD2-CB 3.68Å; L581-F642 HydrophobicContact CD2-CD1 3.61Å; L581-F642 HydrophobicContact CD2-CD2 4.39Å; L581-F642 HydrophobicContact CD2-CE1 4.33Å; L581-F642 HydrophobicContact CD2-CG 3.64Å; L581-F642 HydrophobicContact CG-CD1 4.32Å; L581-F642 HydrophobicContact CG-CG 4.4Å; Y611-F642 HydrophobicContact CD1-CD2 4.06Å; Y611-F642 AromaticContact CD1-CE2 3.75Å; Y611-F642 HydrophobicContact CD1-CE2 3.75Å; Y611-F642 AromaticContact CE1-CD2 3.82Å; Y611-F642 HydrophobicContact CE1-CD2 3.82Å; Y611-F642 AromaticContact CE1-CE2 3.63Å; Y611-F642 HydrophobicContact CE1-CE2 3.63Å; V638-F642 WeakPolarHBondContact O-CB 3.5Å; V638-F642 PolarHBondContact O-N 3.29Å; L639-F642 PolarHBondContact O-N 2.97Å; F642-P644 HydrophobicContact CD1-CB 3.94Å; F642-P644 HydrophobicContact CD1-CG 4.39Å; F642-P644 HydrophobicContact CE1-CB 3.95Å; F642-W748 HydrophobicContact CB-CH2 3.81Å; F642-W748 HydrophobicContact CB-CZ3 3.87Å; F642-W748 AromaticContact CD2-CH2 3.94Å; F642-W748 HydrophobicContact CD2-CH2 3.94Å; F642-W748 HydrophobicContact CG-CH2 4.28Å
643	Q	98.4	Very high	98.4	Very high	104 Å²	104	17.2 Å²	17.2	49%	0.486	9%	0.087	S	C	.	.			trans	51.5	68.2	178.7	-67.4	-69.5	-38.2	0	0	112.4	K556 L639 D640	K556-Q643 WeakPolarHBondContact CE-O 3.32Å; K556-Q643 PolarHBondContact NZ-O 3.32Å; L639-Q643 PolarHBondContact O-N 3.42Å; D640-Q643 PolarHBondContact O-NE2 3.43Å
644	P	98.8	Very high	98.5	Very high	7 Å²	7	16.1 Å²	16.1	5%	0.045	8%	0.083	C	C	.	.			trans	-67.8	148.5	-178.1	29.1	-35	0	0	0	112.5	A558 L639 F642 I647 A684	A558-P644 HydrophobicContact CB-CB 3.87Å; A558-P644 HydrophobicContact CB-CG 4.07Å; L639-P644 HydrophobicContact CD2-CG 4.25Å; F642-P644 HydrophobicContact CD1-CB 3.94Å; F642-P644 HydrophobicContact CD1-CG 4.39Å; F642-P644 HydrophobicContact CE1-CB 3.95Å; P644-I647 HydrophobicContact CB-CG1 4.26Å; P644-I647 HydrophobicContact CG-CD1 3.97Å; P644-I647 HydrophobicContact CG-CG1 3.88Å; P644-A684 WeakPolarHBondContact O-CA 3.35Å; P644-A684 WeakPolarHBondContact O-CB 3.43Å
645	D	98.8	Very high	98.6	Very high	53 Å²	53	16.1 Å²	16.1	28%	0.283	8%	0.083	S	C	.	.	S	Bend	trans	-86.4	-16.1	170.5	-56.6	-58.5	0	0	0	112.2	V554 K555 K556	V554-D645 HydrophobicContact CG1-CB 4.32Å; K555-D645 WeakPolarHBondContact CA-OD2 3.37Å; K555-D645 WeakPolarHBondContact CB-OD2 3.3Å; K555-D645 PolarHBondContact N-OD2 3.48Å; K556-D645 PolarHBondContact N-OD2 3.01Å; K556-D645 PolarHBondContact O-N 3Å
646	F	98.9	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.2	-179.2	-155.6	-77.8	0	0	0	110.2	C504 V507 A508 L547 V554 K556 I557 A558 I648 K687 V689	C504-F646 HydrophobicContact CB-CZ 4.23Å; V507-F646 HydrophobicContact CB-CE2 3.89Å; V507-F646 HydrophobicContact CB-CZ 3.85Å; V507-F646 HydrophobicContact CG1-CE2 3.54Å; V507-F646 HydrophobicContact CG1-CZ 3.7Å; A508-F646 HydrophobicContact CB-CD2 4.31Å; A508-F646 HydrophobicContact CB-CE2 3.97Å; L547-F646 HydrophobicContact CD1-CB 4.46Å; L547-F646 HydrophobicContact CD1-CD1 3.69Å; L547-F646 HydrophobicContact CD1-CD2 4.08Å; L547-F646 HydrophobicContact CD1-CE1 3.88Å; L547-F646 HydrophobicContact CD1-CE2 4.21Å; L547-F646 HydrophobicContact CD1-CG 3.81Å; L547-F646 HydrophobicContact CD1-CZ 4.13Å; L547-F646 HydrophobicContact CD2-CD2 4.43Å; L547-F646 HydrophobicContact CD2-CE2 4.3Å; V554-F646 HydrophobicContact CG1-CB 3.92Å; V554-F646 HydrophobicContact CG2-CD2 4.47Å; K556-F646 PolarHBondContact O-N 3.22Å; I557-F646 WeakPolarHBondContact CA-O 3.38Å; I557-F646 HydrophobicContact CG1-CB 4.37Å; A558-F646 PolarHBondContact N-O 2.9Å; F646-I648 HydrophobicContact CD1-CG1 3.82Å; F646-I648 HydrophobicContact CE1-CG1 3.85Å; F646-K687 HydrophobicContact CD2-CB 3.97Å; F646-K687 HydrophobicContact CD2-CD 4.32Å; F646-K687 HydrophobicContact CE2-CB 4.18Å; F646-K687 HydrophobicContact CG-CB 4.47Å; F646-V689 HydrophobicContact CE1-CB 4.16Å; F646-V689 HydrophobicContact CE1-CG2 3.89Å; F646-V689 HydrophobicContact CZ-CB 4.46Å; F646-V689 HydrophobicContact CZ-CG2 3.7Å
647	I	98.9	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.2	173.2	-56	-170.5	0	0	0	110	A558 V560 L639 P644 V649 L680 Y683 A684 K687 V688 V689	A558-I647 HydrophobicContact CB-CG1 4.24Å; A558-I647 VanDerWaalsContact O-CA 3.32Å; A558-I647 WeakPolarHBondContact O-CA 3.4Å; V560-I647 HydrophobicContact CG2-CG2 4.27Å; L639-I647 HydrophobicContact CD1-CD1 4.43Å; P644-I647 HydrophobicContact CB-CG1 4.26Å; P644-I647 HydrophobicContact CG-CD1 3.97Å; P644-I647 HydrophobicContact CG-CG1 3.88Å; I647-V649 HydrophobicContact CG2-CG2 4.18Å; I647-L680 HydrophobicContact CD1-CB 4.49Å; I647-L680 HydrophobicContact CD1-CD2 4.34Å; I647-Y683 HydrophobicContact CD1-CG 4.4Å; I647-A684 HydrophobicContact CG1-CB 4.23Å; I647-K687 PolarHBondContact N-O 2.77Å; I647-V688 HydrophobicContact CB-CG2 4.27Å; I647-V688 WeakPolarHBondContact O-CA 3.27Å; I647-V689 PolarHBondContact O-N 3.09Å
648	I	99	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.2	168.7	-47.6	177.6	0	0	0	108.1	V540 A543 A544 L547 I557 A558 I559 V560 F646 V689 V691	V540-I648 HydrophobicContact CB-CG2 4.36Å; V540-I648 HydrophobicContact CG1-CB 4.18Å; V540-I648 HydrophobicContact CG1-CG2 3.76Å; V540-I648 HydrophobicContact CG2-CG2 4.04Å; A543-I648 HydrophobicContact CB-CD1 4.18Å; A544-I648 HydrophobicContact CB-CD1 4.01Å; L547-I648 HydrophobicContact CD1-CD1 4.09Å; I557-I648 HydrophobicContact CG2-CD1 4.4Å; I557-I648 HydrophobicContact CG2-CG1 4.3Å; A558-I648 PolarHBondContact O-N 3.41Å; I559-I648 VanDerWaalsContact CA-O 3.25Å; I559-I648 WeakPolarHBondContact CA-O 3.21Å; V560-I648 PolarHBondContact N-O 2.96Å; F646-I648 HydrophobicContact CD1-CG1 3.82Å; F646-I648 HydrophobicContact CE1-CG1 3.85Å; I648-V689 CarbonylContact C-O 3.42Å; I648-V689 WeakPolarHBondContact CA-O 3.19Å; I648-V691 HydrophobicContact CG2-CG2 3.79Å
649	V	99	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.4	178.3	-175.2	0	0	0	0	109.3	V560 W562 I647 A651 L680 V688 V689 L690 V691	V560-V649 CarbonylContact O-C 3.6Å; V560-V649 WeakPolarHBondContact O-CA 3.23Å; V560-V649 WeakPolarHBondContact O-CG1 3.33Å; W562-V649 HydrophobicContact CD2-CG1 3.7Å; W562-V649 HydrophobicContact CE3-CG1 3.71Å; W562-V649 HydrophobicContact CH2-CG1 3.6Å; W562-V649 HydrophobicContact CZ2-CG1 3.58Å; W562-V649 HydrophobicContact CZ3-CG1 3.67Å; I647-V649 HydrophobicContact CG2-CG2 4.18Å; V649-A651 HydrophobicContact CG1-CB 4.16Å; V649-A651 PolarHBondContact O-N 3.34Å; V649-L680 HydrophobicContact CG2-CD1 3.59Å; V649-V688 HydrophobicContact CG2-CG1 4.11Å; V649-V689 PolarHBondContact N-O 3.34Å; V649-L690 HydrophobicContact CB-CD1 4.24Å; V649-L690 HydrophobicContact CB-CG 3.97Å; V649-L690 HydrophobicContact CG1-CG 4.37Å; V649-L690 HydrophobicContact CG2-CD1 4.05Å; V649-L690 HydrophobicContact CG2-CG 4.3Å; V649-V691 PolarHBondContact O-N 2.91Å
650	A	98.9	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	96.1	165	0	0	0	0	0	107.1	H524 V540 V560 D561 W562 L570 G652 E693	H524-A650 HydrophobicContact CB-CB 4.49Å; V540-A650 HydrophobicContact CG2-CB 4.34Å; V560-A650 PolarHBondContact O-N 3.26Å; D561-A650 HydrophobicContact CB-CB 3.93Å; W562-A650 PolarHBondContact N-O 2.9Å; L570-A650 HydrophobicContact CD1-CB 3.88Å; A650-G652 PolarHBondContact O-N 3.38Å; A650-E693 HydrophobicContact CB-CG 3.96Å
651	A	98.9	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	76.9	-165.1	0	0	0	0	0	111.4	W562 V649 F653 L690 V691 E693	W562-A651 HydrophobicContact CZ2-CB 4.01Å; W562-A651 VanDerWaalsContact NE1-CA 3.34Å; V649-A651 HydrophobicContact CG1-CB 4.16Å; V649-A651 PolarHBondContact O-N 3.34Å; A651-F653 HydrophobicContact CB-CE2 4.34Å; A651-F653 HydrophobicContact CB-CZ 4.18Å; A651-F653 WeakPolarHBondContact O-CE2 3.44Å; A651-L690 HydrophobicContact CB-CB 4.19Å; A651-L690 HydrophobicContact CB-CG 4.36Å; A651-V691 WeakPolarHBondContact CA-O 3.25Å; A651-V691 WeakPolarHBondContact CB-O 3.45Å; A651-V691 PolarHBondContact N-O 2.97Å; A651-E693 PolarHBondContact O-N 3.01Å; A651-E693 VanDerWaalsContact O-N 3.09Å
652	G	98.7	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.			trans	-81.6	141.4	166.3	0	0	0	0	0	111.7	W562 D563 A650 G694	W562-G652 PolarHBondContact NE1-O 3.15Å; D563-G652 VanDerWaalsContact OD2-CA 3.27Å; D563-G652 WeakPolarHBondContact OD2-CA 3.46Å; A650-G652 PolarHBondContact O-N 3.38Å; G652-G694 WeakPolarHBondContact CA-O 3.11Å
653	F	98.8	Very high	97.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.			trans	-117.5	16	-180	-58.8	-76	0	0	0	113.1	F516 A651 A655 A656 H659 F673 L692 G694 V701 C704 V705	F516-F653 HydrophobicContact CE2-CZ 4.2Å; F516-F653 AromaticContact CZ-CE2 3.97Å; F516-F653 HydrophobicContact CZ-CE2 3.97Å; F516-F653 AromaticContact CZ-CZ 3.99Å; F516-F653 HydrophobicContact CZ-CZ 3.99Å; A651-F653 HydrophobicContact CB-CE2 4.34Å; A651-F653 HydrophobicContact CB-CZ 4.18Å; A651-F653 WeakPolarHBondContact O-CE2 3.44Å; F653-A655 PolarHBondContact O-N 3.15Å; F653-A656 WeakPolarHBondContact O-CB 3.31Å; F653-A656 PolarHBondContact O-N 3.29Å; F653-A656 VanDerWaalsContact O-N 3.1Å; F653-H659 PolarHBondContact O-CE1 2.99Å; F653-H659 PolarHBondContact O-ND1 3.11Å; F653-F673 AromaticContact CD1-CD1 3.69Å; F653-F673 HydrophobicContact CD1-CD1 3.69Å; F653-F673 HydrophobicContact CD1-CD2 4.09Å; F653-F673 AromaticContact CD1-CE1 3.74Å; F653-F673 HydrophobicContact CD1-CE1 3.74Å; F653-F673 HydrophobicContact CD1-CE2 4.15Å; F653-F673 AromaticContact CD1-CG 3.87Å; F653-F673 HydrophobicContact CD1-CG 3.87Å; F653-F673 AromaticContact CD1-CZ 3.97Å; F653-F673 HydrophobicContact CD1-CZ 3.97Å; F653-F673 HydrophobicContact CE1-CB 4.1Å; F653-F673 AromaticContact CE1-CD1 3.76Å; F653-F673 HydrophobicContact CE1-CD1 3.76Å; F653-F673 HydrophobicContact CE1-CD2 4.45Å; F653-F673 HydrophobicContact CE1-CE1 4.27Å; F653-F673 AromaticContact CE1-CG 3.86Å; F653-F673 HydrophobicContact CE1-CG 3.86Å; F653-L692 HydrophobicContact CD2-CD1 3.81Å; F653-L692 HydrophobicContact CE2-CD1 3.74Å; F653-G694 PolarHBondContact N-O 3.42Å; F653-G694 VanDerWaalsContact N-O 3.07Å; F653-V701 HydrophobicContact CB-CG2 4.12Å; F653-V701 HydrophobicContact CD2-CG1 4.13Å; F653-C704 HydrophobicContact CB-CB 4.31Å; F653-C704 HydrophobicContact CD1-CB 3.24Å; F653-C704 HydrophobicContact CE1-CB 3.54Å; F653-C704 HydrophobicContact CG-CB 3.8Å; F653-C704 HydrophobicContact CZ-CB 4.32Å; F653-V705 HydrophobicContact CD2-CG2 4.16Å; F653-V705 HydrophobicContact CE2-CG2 3.54Å; F653-V705 HydrophobicContact CZ-CG2 4.02Å
654	D	98.3	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.1	177.9	38.9	18.6	0	0	0	114.6	V564 H565 A656 H659 I663 G694 G695	V564-D654 HydrophobicContact CG1-CB 3.88Å; V564-D654 VanDerWaalsContact CG1-CG 3.42Å; V564-D654 VanDerWaalsContact CG1-OD1 3.3Å; V564-D654 WeakPolarHBondContact CG1-OD1 3.25Å; V564-D654 PolarHBondContact N-OD1 2.83Å; H565-D654 IonicContact CE1-OD2 3.2Å; H565-D654 PolarHBondContact CE1-OD2 3.19Å; H565-D654 IonicContact ND1-OD2 2.88Å; H565-D654 PolarHBondContact ND1-OD2 3Å; D654-A656 VanDerWaalsContact C-N 3.33Å; D654-H659 WeakPolarHBondContact O-CB 3.17Å; D654-I663 HydrophobicContact CB-CG2 4.05Å; D654-G694 WeakPolarHBondContact OD2-CA 3.31Å; D654-G695 PolarHBondContact OD2-N 2.85Å
655	A	98.4	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.8	163.6	0	0	0	0	0	113.3	V564 F653 Y666 L668	V564-A655 HydrophobicContact CB-CB 3.9Å; V564-A655 HydrophobicContact CG2-CB 3.97Å; F653-A655 PolarHBondContact O-N 3.15Å; A655-Y666 HydrophobicContact CB-CD2 4.42Å; A655-Y666 CarbonylContact O-C 3.51Å; A655-Y666 VanDerWaalsContact O-C 3.25Å; A655-Y666 WeakPolarHBondContact O-CB 3.49Å; A655-L668 HydrophobicContact CB-CD1 3.51Å; A655-L668 HydrophobicContact CB-CG 3.95Å; A655-L668 WeakPolarHBondContact O-CG 3.46Å; A655-L668 PolarHBondContact O-N 3.04Å; A655-L668 VanDerWaalsContact O-N 3.15Å
656	A	98.4	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-68.8	149.2	-178.4	0	0	0	0	0	112.1	F653 D654 H659 L668 F673 I700	F653-A656 WeakPolarHBondContact O-CB 3.31Å; F653-A656 PolarHBondContact O-N 3.29Å; F653-A656 VanDerWaalsContact O-N 3.1Å; D654-A656 VanDerWaalsContact C-N 3.33Å; A656-H659 PolarHBondContact O-N 3.29Å; A656-H659 PolarHBondContact O-ND1 3.36Å; A656-L668 WeakPolarHBondContact CA-O 3.44Å; A656-F673 HydrophobicContact CB-CE2 3.91Å; A656-F673 HydrophobicContact CB-CZ 4.27Å; A656-I700 HydrophobicContact CB-CG1 3.75Å; A656-I700 HydrophobicContact CB-CG2 4.26Å
657	D	97.2	Very high	96.9	Very high	93 Å²	93	30.7 Å²	30.7	50%	0.497	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	140.1	178.3	-168.9	24.7	0	0	0	112	K667 L668 I700	D657-K667 HydrophobicContact CB-CB 4.36Å; D657-L668 PolarHBondContact N-O 2.78Å; D657-I700 WeakPolarHBondContact O-CG1 3.41Å
658	G	94.5	Very high	96.9	Very high	50 Å²	50	30.7 Å²	30.7	52%	0.515	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	-19.6	-174.1	0	0	0	0	0	115.1
659	H	97	Very high	96.8	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.069	19%	0.191	C	C	.	.			trans	-72.1	137.7	173.7	-69	84.9	0	0	0	111.8	F653 D654 A656 Y696 D697 I700	F653-H659 PolarHBondContact O-CE1 2.99Å; F653-H659 PolarHBondContact O-ND1 3.11Å; D654-H659 WeakPolarHBondContact O-CB 3.17Å; A656-H659 PolarHBondContact O-N 3.29Å; A656-H659 PolarHBondContact O-ND1 3.36Å; H659-Y696 PolarHBondContact NE2-N 2.85Å; H659-D697 PolarHBondContact NE2-N 3.2Å; H659-I700 VanDerWaalsContact CE1-CG2 3.48Å; H659-I700 WeakPolarHBondContact CE1-CG2 3.41Å
660	S	94.6	Very high	96.8	Very high	54 Å²	54	33.2 Å²	33.2	38%	0.378	20%	0.198	S	C	.	.			trans	-63	154.7	-179.4	80.7	0	0	0	0	112.3	I662 I663 G664 G665	S660-I662 PolarHBondContact O-N 2.92Å; S660-I662 PolarHBondContact OG-N 2.94Å; S660-I663 PolarHBondContact O-N 3.05Å; S660-G664 PolarHBondContact O-N 3.3Å; S660-G665 PolarHBondContact O-N 3.12Å
661	P	94.1	Very high	96.8	Very high	99 Å²	99	33.6 Å²	33.6	64%	0.643	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20	176.5	-26.9	35.6	0	0	0	115.5	R587	R587-P661 PolarHBondContact NH1-O 3.46Å
662	I	92.5	Very high	96.8	Very high	144 Å²	144	33.6 Å²	33.6	74%	0.738	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-32.2	177.9	-62	172.8	0	0	0	111.2	S660	S660-I662 PolarHBondContact O-N 2.92Å; S660-I662 PolarHBondContact OG-N 2.94Å
663	I	92.8	Very high	96.8	Very high	36 Å²	36	33.6 Å²	33.6	19%	0.185	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-35.4	-175.1	-61.5	-59.3	0	0	0	112.1	I401 V564 H565 D654 S660 Y696	I401-I663 HydrophobicContact CD1-CD1 3.5Å; I401-I663 HydrophobicContact CD1-CG1 4.39Å; V564-I663 VanDerWaalsContact CG1-O 3.32Å; V564-I663 WeakPolarHBondContact CG1-O 3.45Å; H565-I663 PolarHBondContact CE1-O 2.89Å; H565-I663 PolarHBondContact NE2-O 3.14Å; H565-I663 VanDerWaalsContact NE2-O 3.12Å; D654-I663 HydrophobicContact CB-CG2 4.05Å; S660-I663 PolarHBondContact O-N 3.05Å; I663-Y696 HydrophobicContact CG2-CD2 3.78Å; I663-Y696 HydrophobicContact CG2-CE2 4.33Å
664	G	93.7	Very high	96.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-157.6	-56.1	177.4	0	0	0	0	0	111.8	R587 S660 Y666	R587-G664 WeakPolarHBondContact CD-O 3.17Å; R587-G664 PolarHBondContact NH1-O 3.09Å; S660-G664 PolarHBondContact O-N 3.3Å; G664-Y666 PolarHBondContact O-N 3.06Å
665	G	95.3	Very high	96.8	Very high	18 Å²	18	36.8 Å²	36.8	19%	0.186	21%	0.214	C	C	.	.			trans	72.1	14.1	173.5	0	0	0	0	0	115.2	S621 S660	S621-G665 PolarHBondContact OG-O 2.83Å; S660-G665 PolarHBondContact O-N 3.12Å
666	Y	98.3	Very high	96.8	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.02	21%	0.214	C	C	.	.			trans	-98.9	172.1	172.9	-71.1	-6.8	0	0	0	111.1	V564 R587 W617 M622 Y627 A655 G664	V564-Y666 HydrophobicContact CG2-CD2 3.9Å; V564-Y666 HydrophobicContact CG2-CE2 4.19Å; R587-Y666 HydrophobicContact CB-CE1 4.46Å; R587-Y666 HydrophobicContact CB-CE2 3.83Å; R587-Y666 WeakPolarHBondContact CB-OH 3.44Å; R587-Y666 HydrophobicContact CG-CE1 4.24Å; R587-Y666 HydrophobicContact CG-CE2 4.45Å; R587-Y666 WeakPolarHBondContact CG-OH 3.43Å; W617-Y666 HydrophobicContact CB-CE2 4.15Å; W617-Y666 WeakPolarHBondContact CB-OH 3.14Å; W617-Y666 HydrophobicContact CG-CE2 4.36Å; M622-Y666 HydrophobicContact CB-CD1 4.06Å; M622-Y666 HydrophobicContact CB-CD2 3.69Å; M622-Y666 HydrophobicContact CB-CE1 4.11Å; M622-Y666 HydrophobicContact CB-CE2 3.74Å; M622-Y666 HydrophobicContact CB-CG 3.86Å; M622-Y666 HydrophobicContact CG-CD1 4.21Å; M622-Y666 HydrophobicContact CG-CD2 3.97Å; M622-Y666 HydrophobicContact CG-CE1 3.73Å; M622-Y666 HydrophobicContact CG-CE2 3.45Å; M622-Y666 VanDerWaalsContact CG-CE2 3.45Å; M622-Y666 HydrophobicContact CG-CG 4.33Å; M622-Y666 VanDerWaalsContact N-CD1 3.25Å; M622-Y666 WeakPolarHBondContact O-CB 3.42Å; Y627-Y666 HydrophobicContact CE2-CD2 4.4Å; A655-Y666 HydrophobicContact CB-CD2 4.42Å; A655-Y666 CarbonylContact O-C 3.51Å; A655-Y666 VanDerWaalsContact O-C 3.25Å; A655-Y666 WeakPolarHBondContact O-CB 3.49Å; G664-Y666 PolarHBondContact O-N 3.06Å
667	K	97.6	Very high	96.8	Very high	131 Å²	131	36.8 Å²	36.8	57%	0.57	21%	0.214	S	C	*	.	B	Isolated β-bridge	trans	-130.5	48.8	-170.9	-60.4	-174.9	-179.6	-176	0	111.6	M622 D657	M622-K667 PolarHBondContact O-N 2.96Å; D657-K667 HydrophobicContact CB-CB 4.36Å
668	L	98.6	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-75.6	138.2	176	-53.2	-170.5	0	0	0	110.5	G623 Y627 A655 A656 D657 L672 F673	G623-L668 VanDerWaalsContact O-CD2 3.26Å; G623-L668 WeakPolarHBondContact O-CD2 3.47Å; Y627-L668 HydrophobicContact CD1-CD1 3.89Å; Y627-L668 HydrophobicContact CD2-CD1 3.9Å; Y627-L668 HydrophobicContact CD2-CD2 3.51Å; Y627-L668 HydrophobicContact CD2-CG 4.34Å; Y627-L668 HydrophobicContact CE1-CD1 3.69Å; Y627-L668 HydrophobicContact CE2-CD1 3.7Å; Y627-L668 HydrophobicContact CE2-CD2 3.78Å; Y627-L668 HydrophobicContact CE2-CG 4.26Å; Y627-L668 HydrophobicContact CG-CD1 3.99Å; Y627-L668 HydrophobicContact CG-CD2 4.09Å; A655-L668 HydrophobicContact CB-CD1 3.51Å; A655-L668 HydrophobicContact CB-CG 3.95Å; A655-L668 WeakPolarHBondContact O-CG 3.46Å; A655-L668 PolarHBondContact O-N 3.04Å; A655-L668 VanDerWaalsContact O-N 3.15Å; A656-L668 WeakPolarHBondContact CA-O 3.44Å; D657-L668 PolarHBondContact N-O 2.78Å; L668-L672 HydrophobicContact CB-CD2 3.87Å; L668-L672 HydrophobicContact CD1-CD2 3.83Å; L668-L672 HydrophobicContact CD2-CD2 3.72Å; L668-L672 HydrophobicContact CG-CD2 3.99Å; L668-F673 HydrophobicContact CB-CE2 3.93Å; L668-F673 HydrophobicContact CB-CZ 4.03Å; L668-F673 HydrophobicContact CD1-CE1 4.38Å; L668-F673 HydrophobicContact CD1-CZ 3.96Å
669	S	98.3	Very high	97	Very high	31 Å²	31	34.4 Å²	34.4	22%	0.217	19%	0.191	C	C	.	.			trans	-83.1	151.9	176	73.1	0	0	0	0	111.6	D624 A671 L672 F673	D624-S669 VanDerWaalsContact CG-OG 3.32Å; D624-S669 PolarHBondContact OD1-N 3.21Å; D624-S669 PolarHBondContact OD1-OG 2.87Å; D624-S669 WeakPolarHBondContact OD2-CB 3.33Å; D624-S669 PolarHBondContact OD2-OG 3.18Å; S669-A671 PolarHBondContact O-N 3.14Å; S669-L672 WeakPolarHBondContact O-CB 3.33Å; S669-L672 PolarHBondContact O-N 2.83Å; S669-L672 VanDerWaalsContact O-N 3.12Å; S669-L672 PolarHBondContact OG-N 3.42Å; S669-F673 VanDerWaalsContact O-CD2 3.28Å; S669-F673 WeakPolarHBondContact O-CD2 3.26Å
670	P	98.5	Very high	97.1	Very high	22 Å²	22	33.7 Å²	33.7	14%	0.143	19%	0.188	C	C	.	.	H	α-helix	trans	-54.2	-32.4	169.5	-28.9	36.7	0	0	0	113.7	L672 F673 A674 I700 Q703 Q707	P670-L672 VanDerWaalsContact C-N 3.34Å; P670-L672 PolarHBondContact O-N 3.34Å; P670-F673 PolarHBondContact O-N 3.43Å; P670-A674 PolarHBondContact O-N 2.94Å; P670-I700 HydrophobicContact CG-CD1 3.57Å; P670-I700 HydrophobicContact CG-CG1 4.43Å; P670-Q703 HydrophobicContact CB-CB 4.12Å; P670-Q703 HydrophobicContact CG-CB 3.88Å; P670-Q707 HydrophobicContact CB-CG 3.85Å; P670-Q707 WeakPolarHBondContact O-CB 3.48Å
671	A	98.4	Very high	97.3	Very high	8 Å²	8	32 Å²	32	7%	0.066	17%	0.174	C	C	.	.	H	α-helix	trans	-65.4	-35.1	178.8	0	0	0	0	0	112.5	S669 F673 A674 Y675 V718 L720	S669-A671 PolarHBondContact O-N 3.14Å; A671-F673 PolarHBondContact O-N 3.42Å; A671-A674 WeakPolarHBondContact O-CB 3.17Å; A671-A674 PolarHBondContact O-N 2.96Å; A671-Y675 PolarHBondContact O-N 3.27Å; A671-V718 HydrophobicContact CB-CB 4.3Å; A671-V718 HydrophobicContact CB-CG1 4.15Å; A671-V718 WeakPolarHBondContact CB-O 3.01Å; A671-L720 HydrophobicContact CB-CD2 4.1Å
672	L	98.7	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-42.9	175.5	179	76.6	0	0	0	112.2	D624 Y627 L628 L668 S669 P670 A674 Y675 M676 L720	D624-L672 HydrophobicContact CB-CD1 4.15Å; D624-L672 HydrophobicContact CB-CD2 4.46Å; D624-L672 WeakPolarHBondContact OD1-CB 2.94Å; Y627-L672 HydrophobicContact CG-CD2 4.14Å; L628-L672 HydrophobicContact CD2-CD1 3.89Å; L628-L672 HydrophobicContact CG-CD1 3.82Å; L668-L672 HydrophobicContact CB-CD2 3.87Å; L668-L672 HydrophobicContact CD1-CD2 3.83Å; L668-L672 HydrophobicContact CD2-CD2 3.72Å; L668-L672 HydrophobicContact CG-CD2 3.99Å; S669-L672 WeakPolarHBondContact O-CB 3.33Å; S669-L672 PolarHBondContact O-N 2.83Å; S669-L672 VanDerWaalsContact O-N 3.12Å; S669-L672 PolarHBondContact OG-N 3.42Å; P670-L672 VanDerWaalsContact C-N 3.34Å; P670-L672 PolarHBondContact O-N 3.34Å; L672-A674 VanDerWaalsContact C-N 3.28Å; L672-A674 PolarHBondContact O-N 3.11Å; L672-Y675 WeakPolarHBondContact O-CB 3.42Å; L672-Y675 PolarHBondContact O-N 3.49Å; L672-Y675 VanDerWaalsContact O-N 3.1Å; L672-M676 HydrophobicContact CD1-CG 4.44Å; L672-M676 HydrophobicContact CD2-CE 4.24Å; L672-M676 HydrophobicContact CG-CE 4.13Å; L672-M676 HydrophobicContact CG-CG 4.33Å; L672-M676 HydrophobicContact CG-SD 4.32Å; L672-M676 WeakPolarHBondContact O-CG 3.4Å; L672-M676 PolarHBondContact O-N 2.9Å; L672-L720 HydrophobicContact CB-CD2 4.16Å
673	F	98.8	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-36.5	178.3	-63	-81.7	0	0	0	111.9	W562 F653 A656 L668 S669 P670 A671 M676 T677 C704	W562-F673 AromaticContact CD1-CE1 3.97Å; W562-F673 HydrophobicContact CD2-CD1 4.42Å; W562-F673 AromaticContact CE2-CD1 3.94Å; W562-F673 HydrophobicContact CG-CE1 4.5Å; W562-F673 HydrophobicContact CZ2-CD1 4.33Å; W562-F673 AromaticContact NE1-CD1 3.75Å; W562-F673 AromaticContact NE1-CE1 3.93Å; F653-F673 AromaticContact CD1-CD1 3.69Å; F653-F673 HydrophobicContact CD1-CD1 3.69Å; F653-F673 HydrophobicContact CD1-CD2 4.09Å; F653-F673 AromaticContact CD1-CE1 3.74Å; F653-F673 HydrophobicContact CD1-CE1 3.74Å; F653-F673 HydrophobicContact CD1-CE2 4.15Å; F653-F673 AromaticContact CD1-CG 3.87Å; F653-F673 HydrophobicContact CD1-CG 3.87Å; F653-F673 AromaticContact CD1-CZ 3.97Å; F653-F673 HydrophobicContact CD1-CZ 3.97Å; F653-F673 HydrophobicContact CE1-CB 4.1Å; F653-F673 AromaticContact CE1-CD1 3.76Å; F653-F673 HydrophobicContact CE1-CD1 3.76Å; F653-F673 HydrophobicContact CE1-CD2 4.45Å; F653-F673 HydrophobicContact CE1-CE1 4.27Å; F653-F673 AromaticContact CE1-CG 3.86Å; F653-F673 HydrophobicContact CE1-CG 3.86Å; A656-F673 HydrophobicContact CB-CE2 3.91Å; A656-F673 HydrophobicContact CB-CZ 4.27Å; L668-F673 HydrophobicContact CB-CE2 3.93Å; L668-F673 HydrophobicContact CB-CZ 4.03Å; L668-F673 HydrophobicContact CD1-CE1 4.38Å; L668-F673 HydrophobicContact CD1-CZ 3.96Å; S669-F673 VanDerWaalsContact O-CD2 3.28Å; S669-F673 WeakPolarHBondContact O-CD2 3.26Å; P670-F673 PolarHBondContact O-N 3.43Å; A671-F673 PolarHBondContact O-N 3.42Å; F673-M676 HydrophobicContact CB-CE 4.46Å; F673-M676 HydrophobicContact CD1-CE 3.51Å; F673-M676 HydrophobicContact CE1-CE 4.01Å; F673-M676 HydrophobicContact CG-CE 4.13Å; F673-T677 WeakPolarHBondContact O-CB 3.43Å; F673-T677 PolarHBondContact O-N 3.36Å; F673-T677 PolarHBondContact O-OG1 3.02Å; F673-C704 HydrophobicContact CD2-CB 4.05Å; F673-C704 HydrophobicContact CE2-CB 4.48Å
674	A	98.6	Very high	98	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-46	169.4	0	0	0	0	0	112.4	P670 A671 L672 T677 N678 Q707 A711 I717	P670-A674 PolarHBondContact O-N 2.94Å; A671-A674 WeakPolarHBondContact O-CB 3.17Å; A671-A674 PolarHBondContact O-N 2.96Å; L672-A674 VanDerWaalsContact C-N 3.28Å; L672-A674 PolarHBondContact O-N 3.11Å; A674-T677 WeakPolarHBondContact O-CB 3.31Å; A674-T677 PolarHBondContact O-N 2.97Å; A674-N678 WeakPolarHBondContact O-CB 3.18Å; A674-N678 PolarHBondContact O-N 3.4Å; A674-Q707 HydrophobicContact CB-CB 3.79Å; A674-A711 HydrophobicContact CB-CB 4.28Å; A674-I717 HydrophobicContact CB-CB 4.09Å; A674-I717 HydrophobicContact CB-CD1 4.16Å; A674-I717 HydrophobicContact CB-CG2 3.95Å
675	Y	97.9	Very high	98.1	Very high	66 Å²	66	29 Å²	29	26%	0.259	18%	0.18	S	C	.	.	H	α-helix	trans	-59.3	-50	177.5	178	-85.2	0	0	0	111.6	L628 A671 L672 T677 N678 A679 L720	L628-Y675 HydrophobicContact CD2-CD1 3.45Å; L628-Y675 VanDerWaalsContact CD2-CD1 3.45Å; L628-Y675 HydrophobicContact CD2-CE1 3.28Å; L628-Y675 HydrophobicContact CD2-CE2 4.37Å; L628-Y675 HydrophobicContact CD2-CG 4.1Å; A671-Y675 PolarHBondContact O-N 3.27Å; L672-Y675 WeakPolarHBondContact O-CB 3.42Å; L672-Y675 PolarHBondContact O-N 3.49Å; L672-Y675 VanDerWaalsContact O-N 3.1Å; Y675-T677 VanDerWaalsContact C-N 3.31Å; Y675-T677 PolarHBondContact O-N 3.28Å; Y675-N678 PolarHBondContact O-N 3.47Å; Y675-A679 PolarHBondContact O-N 3Å; Y675-L720 HydrophobicContact CD2-CD1 3.64Å; Y675-L720 HydrophobicContact CE2-CD1 4.25Å; Y675-L720 HydrophobicContact CG-CD1 3.81Å
676	M	98.6	Very high	98.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-42.6	177	-68.5	-171.1	-60.8	0	0	111.2	W562 Y627 F631 L672 F673 A679 L680	W562-M676 HydrophobicContact CD2-CE 3.96Å; W562-M676 HydrophobicContact CE3-CB 4.1Å; W562-M676 HydrophobicContact CE3-CE 3.81Å; W562-M676 HydrophobicContact CE3-SD 4.17Å; W562-M676 HydrophobicContact CG-CE 4.3Å; W562-M676 HydrophobicContact CH2-CB 4.46Å; W562-M676 HydrophobicContact CZ3-CB 3.68Å; W562-M676 HydrophobicContact CZ3-CE 4.29Å; Y627-M676 HydrophobicContact CD1-CE 4.44Å; Y627-M676 HydrophobicContact CD1-SD 3.91Å; F631-M676 HydrophobicContact CD1-CB 4.44Å; F631-M676 HydrophobicContact CD1-CG 4.23Å; F631-M676 HydrophobicContact CD2-CG 4.05Å; F631-M676 HydrophobicContact CD2-SD 3.9Å; F631-M676 HydrophobicContact CE1-CB 3.72Å; F631-M676 HydrophobicContact CE1-CG 3.86Å; F631-M676 HydrophobicContact CE1-SD 4.49Å; F631-M676 HydrophobicContact CE2-CB 4.23Å; F631-M676 HydrophobicContact CE2-CG 3.68Å; F631-M676 HydrophobicContact CE2-SD 3.28Å; F631-M676 WeakPolarHBondContact CE2-SD 3.2Å; F631-M676 HydrophobicContact CG-CG 4.33Å; F631-M676 HydrophobicContact CZ-CB 3.6Å; F631-M676 HydrophobicContact CZ-CG 3.58Å; F631-M676 HydrophobicContact CZ-SD 3.63Å; L672-M676 HydrophobicContact CD1-CG 4.44Å; L672-M676 HydrophobicContact CD2-CE 4.24Å; L672-M676 HydrophobicContact CG-CE 4.13Å; L672-M676 HydrophobicContact CG-CG 4.33Å; L672-M676 HydrophobicContact CG-SD 4.32Å; L672-M676 WeakPolarHBondContact O-CG 3.4Å; L672-M676 PolarHBondContact O-N 2.9Å; F673-M676 HydrophobicContact CB-CE 4.46Å; F673-M676 HydrophobicContact CD1-CE 3.51Å; F673-M676 HydrophobicContact CE1-CE 4.01Å; F673-M676 HydrophobicContact CG-CE 4.13Å; M676-A679 PolarHBondContact O-N 3.28Å; M676-L680 VanDerWaalsContact O-CG 3.3Å; M676-L680 WeakPolarHBondContact O-CG 3.36Å; M676-L680 PolarHBondContact O-N 3.08Å
677	T	98.7	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-48.9	175	-59	0	0	0	0	111.5	W562 F673 A674 Y675 A679 L680 M681 L690 A711 L712	W562-T677 WeakPolarHBondContact CH2-OG1 3.42Å; F673-T677 WeakPolarHBondContact O-CB 3.43Å; F673-T677 PolarHBondContact O-N 3.36Å; F673-T677 PolarHBondContact O-OG1 3.02Å; A674-T677 WeakPolarHBondContact O-CB 3.31Å; A674-T677 PolarHBondContact O-N 2.97Å; Y675-T677 VanDerWaalsContact C-N 3.31Å; Y675-T677 PolarHBondContact O-N 3.28Å; T677-A679 PolarHBondContact O-N 3.45Å; T677-L680 PolarHBondContact O-N 3.07Å; T677-M681 HydrophobicContact CG2-SD 4.2Å; T677-M681 WeakPolarHBondContact O-CG 3.42Å; T677-M681 PolarHBondContact O-N 3.15Å; T677-M681 VanDerWaalsContact O-N 3.07Å; T677-L690 HydrophobicContact CG2-CD1 4.16Å; T677-L690 HydrophobicContact CG2-CD2 4.36Å; T677-A711 HydrophobicContact CG2-CB 3.91Å; T677-L712 HydrophobicContact CG2-CD2 3.95Å; T677-L712 HydrophobicContact CG2-CG 3.88Å
678	N	97.9	Very high	98.3	Very high	77 Å²	77	24.6 Å²	24.6	41%	0.412	16%	0.157	S	C	.	.	H	α-helix	trans	-63.8	-39.8	179.9	-169.3	46.7	0	0	0	112.2	A674 Y675 L680 M681	A674-N678 WeakPolarHBondContact O-CB 3.18Å; A674-N678 PolarHBondContact O-N 3.4Å; Y675-N678 PolarHBondContact O-N 3.47Å; N678-L680 VanDerWaalsContact C-N 3.34Å; N678-L680 PolarHBondContact O-N 3.17Å; N678-M681 PolarHBondContact O-N 3.03Å
679	A	98.2	Very high	98.3	Very high	16 Å²	16	24.6 Å²	24.6	13%	0.132	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-43.6	175	0	0	0	0	0	111.6	F631 L636 Y675 M676 T677 M681 S682 Y683	F631-A679 HydrophobicContact CD1-CB 4.34Å; L636-A679 HydrophobicContact CD1-CB 4.34Å; L636-A679 HydrophobicContact CD2-CB 4.15Å; Y675-A679 PolarHBondContact O-N 3Å; M676-A679 PolarHBondContact O-N 3.28Å; T677-A679 PolarHBondContact O-N 3.45Å; A679-M681 VanDerWaalsContact C-N 3.32Å; A679-M681 PolarHBondContact O-N 3.1Å; A679-S682 WeakPolarHBondContact O-CB 3.32Å; A679-S682 PolarHBondContact O-N 3.43Å; A679-Y683 WeakPolarHBondContact O-CD2 3.33Å
680	L	98.8	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-30.7	177.3	-65.5	174.5	0	0	0	113	V560 W562 F631 L639 I647 V649 M676 T677 N678 S682 Y683 V688	V560-L680 HydrophobicContact CB-CD1 4.3Å; V560-L680 HydrophobicContact CG1-CD1 4.3Å; V560-L680 HydrophobicContact CG2-CD1 4.38Å; V560-L680 HydrophobicContact CG2-CD2 3.97Å; W562-L680 HydrophobicContact CZ3-CD1 3.93Å; F631-L680 HydrophobicContact CE1-CD2 4.2Å; F631-L680 HydrophobicContact CE1-CG 4.14Å; L639-L680 HydrophobicContact CD1-CD2 3.51Å; I647-L680 HydrophobicContact CD1-CB 4.49Å; I647-L680 HydrophobicContact CD1-CD2 4.34Å; V649-L680 HydrophobicContact CG2-CD1 3.59Å; M676-L680 VanDerWaalsContact O-CG 3.3Å; M676-L680 WeakPolarHBondContact O-CG 3.36Å; M676-L680 PolarHBondContact O-N 3.08Å; T677-L680 PolarHBondContact O-N 3.07Å; N678-L680 VanDerWaalsContact C-N 3.34Å; N678-L680 PolarHBondContact O-N 3.17Å; L680-S682 PolarHBondContact O-N 2.97Å; L680-Y683 PolarHBondContact O-N 2.96Å; L680-Y683 VanDerWaalsContact O-N 3.08Å; L680-V688 HydrophobicContact CB-CG1 4.47Å; L680-V688 HydrophobicContact CB-CG2 4.38Å
681	M	98.2	Very high	98.4	Very high	17 Å²	17	22.1 Å²	22.1	8%	0.084	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-15.8	176.9	-72.1	170.8	60.9	0	0	113.7	T677 N678 A679 Y683 G686 V688 L712 H714	T677-M681 HydrophobicContact CG2-SD 4.2Å; T677-M681 WeakPolarHBondContact O-CG 3.42Å; T677-M681 PolarHBondContact O-N 3.15Å; T677-M681 VanDerWaalsContact O-N 3.07Å; N678-M681 PolarHBondContact O-N 3.03Å; A679-M681 VanDerWaalsContact C-N 3.32Å; A679-M681 PolarHBondContact O-N 3.1Å; M681-Y683 PolarHBondContact O-N 3.09Å; M681-G686 WeakPolarHBondContact O-CA 3.46Å; M681-G686 PolarHBondContact O-N 2.76Å; M681-V688 HydrophobicContact CG-CB 4.36Å; M681-V688 HydrophobicContact CG-CG2 4.02Å; M681-L712 HydrophobicContact SD-CD2 4.02Å; M681-H714 WeakPolarHBondContact CE-CE1 3.44Å
682	S	97.7	Very high	98.4	Very high	101 Å²	101	21.7 Å²	21.7	71%	0.706	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.2	172.6	-59.4	0	0	0	0	113.4	A679 L680	A679-S682 WeakPolarHBondContact O-CB 3.32Å; A679-S682 PolarHBondContact O-N 3.43Å; L680-S682 PolarHBondContact O-N 2.97Å
683	Y	98.3	Very high	98.4	Very high	27 Å²	27	21.7 Å²	21.7	11%	0.106	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	165.5	-179.6	-63.4	-92.6	0	0	0	111.5	L636 L639 D640 I647 A679 L680 M681 G685 G686	L636-Y683 HydrophobicContact CD2-CE2 3.81Å; L636-Y683 PolarHBondContact O-OH 2.9Å; L639-Y683 HydrophobicContact CB-CD1 3.87Å; L639-Y683 HydrophobicContact CB-CE1 3.62Å; L639-Y683 HydrophobicContact CB-CE2 4.46Å; L639-Y683 HydrophobicContact CB-CG 4.39Å; L639-Y683 HydrophobicContact CD1-CD2 4.35Å; L639-Y683 HydrophobicContact CD1-CE2 4.42Å; D640-Y683 WeakPolarHBondContact OD1-CE1 3.5Å; D640-Y683 VanDerWaalsContact OD1-CZ 3.26Å; D640-Y683 PolarHBondContact OD1-OH 2.69Å; I647-Y683 HydrophobicContact CD1-CG 4.4Å; A679-Y683 WeakPolarHBondContact O-CD2 3.33Å; L680-Y683 PolarHBondContact O-N 2.96Å; L680-Y683 VanDerWaalsContact O-N 3.08Å; M681-Y683 PolarHBondContact O-N 3.09Å; Y683-G685 PolarHBondContact O-N 3.32Å; Y683-G686 PolarHBondContact O-N 2.65Å
684	A	98.1	Very high	98.3	Very high	20 Å²	20	21.7 Å²	21.7	17%	0.165	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	53.7	21.4	176.2	0	0	0	0	0	114.9	P644 I647 G686 K687	P644-A684 WeakPolarHBondContact O-CA 3.35Å; P644-A684 WeakPolarHBondContact O-CB 3.43Å; I647-A684 HydrophobicContact CG1-CB 4.23Å; A684-G686 VanDerWaalsContact C-N 3.31Å; A684-G686 PolarHBondContact O-N 3.05Å; A684-K687 HydrophobicContact CB-CB 4.27Å; A684-K687 WeakPolarHBondContact O-CB 3.36Å; A684-K687 WeakPolarHBondContact O-CG 3.32Å; A684-K687 PolarHBondContact O-N 3.39Å
685	G	96.6	Very high	98.2	Very high	69 Å²	69	21.7 Å²	21.7	71%	0.711	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	60.2	37.4	-173.3	0	0	0	0	0	113.3	Y683 K687	Y683-G685 PolarHBondContact O-N 3.32Å; G685-K687 VanDerWaalsContact C-N 3.31Å; G685-K687 PolarHBondContact O-N 3.36Å
686	G	97.6	Very high	98.1	Very high	4 Å²	4	20.2 Å²	20.2	4%	0.041	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	83.1	-2.8	180	0	0	0	0	0	114.9	N514 M681 Y683 A684 V688	N514-G686 WeakPolarHBondContact CB-O 3.45Å; M681-G686 WeakPolarHBondContact O-CA 3.46Å; M681-G686 PolarHBondContact O-N 2.76Å; Y683-G686 PolarHBondContact O-N 2.65Å; A684-G686 VanDerWaalsContact C-N 3.31Å; A684-G686 PolarHBondContact O-N 3.05Å; G686-V688 VanDerWaalsContact C-N 3.26Å; G686-V688 PolarHBondContact O-N 3.17Å
687	K	98.7	Very high	98	Very high	58 Å²	58	23 Å²	23	25%	0.252	15%	0.146	S	C	.	.			trans	-73.2	76.6	-177.5	-63.5	178.9	-167.2	173.6	0	112.5	V507 E513 F646 I647 A684 G685	V507-K687 HydrophobicContact CG1-CB 3.85Å; V507-K687 HydrophobicContact CG1-CG 3.96Å; E513-K687 WeakPolarHBondContact O-CA 3.3Å; F646-K687 HydrophobicContact CD2-CB 3.97Å; F646-K687 HydrophobicContact CD2-CD 4.32Å; F646-K687 HydrophobicContact CE2-CB 4.18Å; F646-K687 HydrophobicContact CG-CB 4.47Å; I647-K687 PolarHBondContact N-O 2.77Å; A684-K687 HydrophobicContact CB-CB 4.27Å; A684-K687 WeakPolarHBondContact O-CB 3.36Å; A684-K687 WeakPolarHBondContact O-CG 3.32Å; A684-K687 PolarHBondContact O-N 3.39Å; G685-K687 VanDerWaalsContact C-N 3.31Å; G685-K687 PolarHBondContact O-N 3.36Å
688	V	98.9	Very high	97.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	-178.3	-175.6	0	0	0	0	109.3	N514 G515 I647 V649 L680 M681 G686 L690	N514-V688 CarbonylContact C-O 3.58Å; N514-V688 VanDerWaalsContact CA-O 3.26Å; N514-V688 WeakPolarHBondContact CA-O 3.4Å; N514-V688 VanDerWaalsContact CB-O 3.24Å; N514-V688 WeakPolarHBondContact CB-O 3.34Å; G515-V688 PolarHBondContact N-O 3.5Å; I647-V688 HydrophobicContact CB-CG2 4.27Å; I647-V688 WeakPolarHBondContact O-CA 3.27Å; V649-V688 HydrophobicContact CG2-CG1 4.11Å; L680-V688 HydrophobicContact CB-CG1 4.47Å; L680-V688 HydrophobicContact CB-CG2 4.38Å; M681-V688 HydrophobicContact CG-CB 4.36Å; M681-V688 HydrophobicContact CG-CG2 4.02Å; G686-V688 VanDerWaalsContact C-N 3.26Å; G686-V688 PolarHBondContact O-N 3.17Å; V688-L690 HydrophobicContact CG1-CD1 3.72Å
689	V	98.9	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.5	171.9	172.7	0	0	0	0	110.1	L503 V507 G515 F646 I647 I648 V649 V691	L503-V689 HydrophobicContact CD2-CG1 3.66Å; L503-V689 HydrophobicContact CG-CG1 4.12Å; L503-V689 HydrophobicContact CG-CG2 4.28Å; V507-V689 HydrophobicContact CB-CG2 4.2Å; V507-V689 HydrophobicContact CG2-CG2 3.74Å; G515-V689 CarbonylContact O-C 3.45Å; G515-V689 WeakPolarHBondContact O-CA 3.47Å; F646-V689 HydrophobicContact CE1-CB 4.16Å; F646-V689 HydrophobicContact CE1-CG2 3.89Å; F646-V689 HydrophobicContact CZ-CB 4.46Å; F646-V689 HydrophobicContact CZ-CG2 3.7Å; I647-V689 PolarHBondContact O-N 3.09Å; I648-V689 CarbonylContact C-O 3.42Å; I648-V689 WeakPolarHBondContact CA-O 3.19Å; V649-V689 PolarHBondContact N-O 3.34Å; V689-V691 HydrophobicContact CG1-CG2 4.11Å
690	L	99	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138	171.1	-78.5	63.4	0	0	0	109.7	G515 F516 A517 W562 V649 A651 T677 V688 C708 L712	G515-L690 PolarHBondContact O-N 2.99Å; F516-L690 CarbonylContact C-O 3.6Å; F516-L690 WeakPolarHBondContact CA-O 3.19Å; F516-L690 HydrophobicContact CD2-CB 3.62Å; F516-L690 HydrophobicContact CD2-CD2 3.77Å; F516-L690 HydrophobicContact CD2-CG 4.34Å; F516-L690 HydrophobicContact CE2-CB 3.73Å; F516-L690 HydrophobicContact CE2-CD2 3.56Å; F516-L690 HydrophobicContact CE2-CG 4.31Å; F516-L690 HydrophobicContact CG-CB 4.04Å; F516-L690 HydrophobicContact CZ-CB 4.2Å; A517-L690 PolarHBondContact N-O 3.42Å; W562-L690 HydrophobicContact CH2-CD2 4.06Å; W562-L690 HydrophobicContact CH2-CG 4.37Å; W562-L690 HydrophobicContact CZ2-CD2 3.95Å; W562-L690 HydrophobicContact CZ2-CG 4.36Å; V649-L690 HydrophobicContact CB-CD1 4.24Å; V649-L690 HydrophobicContact CB-CG 3.97Å; V649-L690 HydrophobicContact CG1-CG 4.37Å; V649-L690 HydrophobicContact CG2-CD1 4.05Å; V649-L690 HydrophobicContact CG2-CG 4.3Å; A651-L690 HydrophobicContact CB-CB 4.19Å; A651-L690 HydrophobicContact CB-CG 4.36Å; T677-L690 HydrophobicContact CG2-CD1 4.16Å; T677-L690 HydrophobicContact CG2-CD2 4.36Å; V688-L690 HydrophobicContact CG1-CD1 3.72Å; L690-C708 HydrophobicContact CD2-CB 3.57Å; L690-L712 HydrophobicContact CD1-CD1 4.32Å; L690-L712 HydrophobicContact CD1-CD2 4.25Å
691	V	99	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.7	179.4	-173.2	0	0	0	0	108.4	T500 A517 V519 N539 V540 I648 V649 A651 V689 E693	T500-V691 HydrophobicContact CG2-CB 4.41Å; T500-V691 HydrophobicContact CG2-CG1 3.89Å; T500-V691 HydrophobicContact CG2-CG2 3.57Å; A517-V691 HydrophobicContact CB-CG1 4.38Å; A517-V691 HydrophobicContact CB-CG2 4.42Å; V519-V691 HydrophobicContact CG2-CG1 3.67Å; N539-V691 HydrophobicContact CB-CG1 4.3Å; V540-V691 HydrophobicContact CG2-CB 3.84Å; V540-V691 HydrophobicContact CG2-CG1 4.09Å; V540-V691 HydrophobicContact CG2-CG2 3.93Å; I648-V691 HydrophobicContact CG2-CG2 3.79Å; V649-V691 PolarHBondContact O-N 2.91Å; A651-V691 WeakPolarHBondContact CA-O 3.25Å; A651-V691 WeakPolarHBondContact CB-O 3.45Å; A651-V691 PolarHBondContact N-O 2.97Å; V689-V691 HydrophobicContact CG1-CG2 4.11Å; V691-E693 PolarHBondContact O-N 3.29Å
692	L	98.9	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.2	-178.3	-174.8	64.4	0	0	0	111.2	I407 I410 F516 A517 I518 F653 V701 V705	I407-L692 HydrophobicContact CG2-CD2 3.95Å; I410-L692 HydrophobicContact CD1-CD2 3.72Å; F516-L692 HydrophobicContact CE1-CB 4.18Å; A517-L692 PolarHBondContact O-N 3.01Å; I518-L692 HydrophobicContact CG2-CD2 4.21Å; F653-L692 HydrophobicContact CD2-CD1 3.81Å; F653-L692 HydrophobicContact CE2-CD1 3.74Å; L692-V701 HydrophobicContact CD1-CG1 4.47Å; L692-V705 HydrophobicContact CD1-CG2 4.42Å
693	E	98.7	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.145	C	C	.	.			trans	-113.3	-116.7	175.7	-65.1	-67.9	163.2	0	0	110.4	R406 P522 G523 H524 A650 A651 V691	R406-E693 PolarHBondContact NH1-O 2.73Å; R406-E693 PolarHBondContact NH2-O 2.95Å; R406-E693 VanDerWaalsContact NH2-O 3.15Å; P522-E693 VanDerWaalsContact CB-OE2 3.23Å; P522-E693 WeakPolarHBondContact CB-OE2 3.28Å; G523-E693 PolarHBondContact N-OE2 3.29Å; H524-E693 HydrophobicContact CB-CG 4.32Å; H524-E693 IonicContact CD2-OE2 3.01Å; H524-E693 IonicContact CG-OE2 2.89Å; H524-E693 PolarHBondContact N-OE2 3.31Å; A650-E693 HydrophobicContact CB-CG 3.96Å; A651-E693 PolarHBondContact O-N 3.01Å; A651-E693 VanDerWaalsContact O-N 3.09Å; V691-E693 PolarHBondContact O-N 3.29Å
694	G	96.8	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.14	C	C	.	.			trans	-71.8	-174.6	175.9	0	0	0	0	0	114.7	R406 D563 G652 F653 D654	R406-G694 PolarHBondContact NH1-O 2.79Å; D563-G694 VanDerWaalsContact OD2-CA 3.22Å; D563-G694 WeakPolarHBondContact OD2-CA 3.22Å; D563-G694 PolarHBondContact OD2-N 3.36Å; G652-G694 WeakPolarHBondContact CA-O 3.11Å; F653-G694 PolarHBondContact N-O 3.42Å; F653-G694 VanDerWaalsContact N-O 3.07Å; D654-G694 WeakPolarHBondContact OD2-CA 3.31Å
695	G	97.4	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.			trans	102.2	114.3	-171.9	0	0	0	0	0	112.1	R406 D654	R406-G695 WeakPolarHBondContact CD-O 3.36Å; R406-G695 PolarHBondContact NH1-O 3.36Å; D654-G695 PolarHBondContact OD2-N 2.85Å
696	Y	95.8	Very high	98	Very high	34 Å²	34	19.2 Å²	19.2	13%	0.133	10%	0.102	C	C	.	.			trans	-131.5	-7.1	-166.4	-52.3	-75.4	0	0	0	114.1	I401 E402 F534 H659 I663 V698	I401-Y696 HydrophobicContact CB-CD1 4.3Å; I401-Y696 HydrophobicContact CB-CG 4.15Å; I401-Y696 HydrophobicContact CD1-CD2 4.12Å; I401-Y696 HydrophobicContact CD1-CE2 4.45Å; I401-Y696 HydrophobicContact CD1-CG 4.18Å; I401-Y696 HydrophobicContact CG1-CD1 4.2Å; I401-Y696 HydrophobicContact CG1-CG 4.19Å; I401-Y696 WeakPolarHBondContact O-CD1 3.34Å; E402-Y696 HydrophobicContact CB-CD1 4.35Å; E402-Y696 HydrophobicContact CB-CE1 3.88Å; E402-Y696 HydrophobicContact CG-CE1 3.9Å; F534-Y696 HydrophobicContact CD2-CE1 4.27Å; F534-Y696 AromaticContact CD2-CZ 3.91Å; F534-Y696 WeakPolarHBondContact CD2-OH 3.49Å; F534-Y696 HydrophobicContact CE2-CE1 4.22Å; F534-Y696 HydrophobicContact CE2-CE2 4.41Å; F534-Y696 AromaticContact CE2-CZ 3.78Å; F534-Y696 WeakPolarHBondContact CE2-OH 3.49Å; H659-Y696 PolarHBondContact NE2-N 2.85Å; I663-Y696 HydrophobicContact CG2-CD2 3.78Å; I663-Y696 HydrophobicContact CG2-CE2 4.33Å; Y696-V698 PolarHBondContact O-N 3.37Å
697	D	96.2	Very high	98.1	Very high	59 Å²	59	19.7 Å²	19.7	32%	0.316	10%	0.103	S	C	.	.			trans	-81.6	101.8	162.1	-175.4	-69.5	0	0	0	108.9	H659 P699 I700 V701	H659-D697 PolarHBondContact NE2-N 3.2Å; D697-P699 WeakPolarHBondContact OD1-CD 3.44Å; D697-I700 HydrophobicContact CB-CG2 3.67Å; D697-I700 WeakPolarHBondContact O-CG2 3.24Å; D697-I700 PolarHBondContact O-N 2.68Å; D697-I700 WeakPolarHBondContact OD1-CG2 3.43Å; D697-I700 PolarHBondContact OD1-N 2.85Å; D697-V701 WeakPolarHBondContact O-CB 3.47Å; D697-V701 WeakPolarHBondContact O-CG2 3.41Å; D697-V701 PolarHBondContact O-N 3.26Å
698	V	96	Very high	98.1	Very high	41 Å²	41	16.9 Å²	16.9	25%	0.248	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-46.3	-169	175.1	0	0	0	0	113.2	A409 Y696 I700 V701 C702	A409-V698 HydrophobicContact CB-CG1 3.37Å; Y696-V698 PolarHBondContact O-N 3.37Å; V698-I700 PolarHBondContact O-N 3.44Å; V698-V701 PolarHBondContact O-N 3.45Å; V698-C702 WeakPolarHBondContact O-CB 3.32Å; V698-C702 PolarHBondContact O-N 2.89Å; V698-C702 PolarHBondContact O-SG 3.3Å
699	P	97.3	Very high	98.1	Very high	84 Å²	84	16.9 Å²	16.9	55%	0.545	9%	0.091	S	C	.	.	H	α-helix	trans	-56.7	-44.6	177.8	-27.6	35.9	0	0	0	114.4	D697 Q703	D697-P699 WeakPolarHBondContact OD1-CD 3.44Å; P699-Q703 PolarHBondContact O-N 3Å; P699-Q703 PolarHBondContact O-NE2 3.31Å
700	I	98	Very high	98	Very high	20 Å²	20	19.3 Å²	19.3	10%	0.103	10%	0.1	C	C	.	.	H	α-helix	trans	-73.1	-38.3	-179.7	-165.7	68	0	0	0	111.6	A656 D657 H659 P670 D697 V698 C702 Q703 C704	A656-I700 HydrophobicContact CB-CG1 3.75Å; A656-I700 HydrophobicContact CB-CG2 4.26Å; D657-I700 WeakPolarHBondContact O-CG1 3.41Å; H659-I700 VanDerWaalsContact CE1-CG2 3.48Å; H659-I700 WeakPolarHBondContact CE1-CG2 3.41Å; P670-I700 HydrophobicContact CG-CD1 3.57Å; P670-I700 HydrophobicContact CG-CG1 4.43Å; D697-I700 HydrophobicContact CB-CG2 3.67Å; D697-I700 WeakPolarHBondContact O-CG2 3.24Å; D697-I700 PolarHBondContact O-N 2.68Å; D697-I700 WeakPolarHBondContact OD1-CG2 3.43Å; D697-I700 PolarHBondContact OD1-N 2.85Å; V698-I700 PolarHBondContact O-N 3.44Å; I700-C702 VanDerWaalsContact C-N 3.3Å; I700-C702 PolarHBondContact O-N 3.46Å; I700-Q703 WeakPolarHBondContact O-CB 3.33Å; I700-Q703 PolarHBondContact O-N 2.89Å; I700-Q703 VanDerWaalsContact O-N 3.1Å; I700-C704 PolarHBondContact O-N 2.94Å; I700-C704 PolarHBondContact O-SG 2.74Å
701	V	98.3	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.2	-42.5	177	174.7	0	0	0	0	110.6	I410 F653 L692 D697 V698 Q703 C704 V705	I410-V701 HydrophobicContact CD1-CG1 3.59Å; I410-V701 HydrophobicContact CG1-CG1 4.09Å; F653-V701 HydrophobicContact CB-CG2 4.12Å; F653-V701 HydrophobicContact CD2-CG1 4.13Å; L692-V701 HydrophobicContact CD1-CG1 4.47Å; D697-V701 WeakPolarHBondContact O-CB 3.47Å; D697-V701 WeakPolarHBondContact O-CG2 3.41Å; D697-V701 PolarHBondContact O-N 3.26Å; V698-V701 PolarHBondContact O-N 3.45Å; V701-Q703 VanDerWaalsContact C-N 3.3Å; V701-Q703 PolarHBondContact O-N 3.01Å; V701-C704 PolarHBondContact O-N 2.97Å; V701-V705 HydrophobicContact CG1-CG2 4.19Å; V701-V705 VanDerWaalsContact O-CG2 3.3Å; V701-V705 WeakPolarHBondContact O-CG2 3.48Å; V701-V705 PolarHBondContact O-N 3.45Å
702	C	98.5	Very high	98	Very high	6 Å²	6	19.5 Å²	19.5	4%	0.041	10%	0.101	C	C	.	.	H	α-helix	trans	-55.4	-43.7	174.4	-75.8	0	0	0	0	112.4	Y413 V698 I700 E706	Y413-C702 HydrophobicContact CD1-CB 3.67Å; Y413-C702 HydrophobicContact CD2-CB 4.03Å; Y413-C702 HydrophobicContact CE1-CB 4.09Å; Y413-C702 WeakPolarHBondContact CE1-O 3.2Å; Y413-C702 HydrophobicContact CE2-CB 4.42Å; Y413-C702 HydrophobicContact CG-CB 3.65Å; V698-C702 WeakPolarHBondContact O-CB 3.32Å; V698-C702 PolarHBondContact O-N 2.89Å; V698-C702 PolarHBondContact O-SG 3.3Å; I700-C702 VanDerWaalsContact C-N 3.3Å; I700-C702 PolarHBondContact O-N 3.46Å; C702-E706 WeakPolarHBondContact O-CB 3.48Å; C702-E706 PolarHBondContact O-N 3.45Å
703	Q	98.4	Very high	97.9	Very high	80 Å²	80	20.5 Å²	20.5	37%	0.374	11%	0.108	S	C	.	.	H	α-helix	trans	-67.9	-43.8	178	-66.2	172.8	45.8	0	0	111.6	P670 P699 I700 V701 E706 Q707	P670-Q703 HydrophobicContact CB-CB 4.12Å; P670-Q703 HydrophobicContact CG-CB 3.88Å; P699-Q703 PolarHBondContact O-N 3Å; P699-Q703 PolarHBondContact O-NE2 3.31Å; I700-Q703 WeakPolarHBondContact O-CB 3.33Å; I700-Q703 PolarHBondContact O-N 2.89Å; I700-Q703 VanDerWaalsContact O-N 3.1Å; V701-Q703 VanDerWaalsContact C-N 3.3Å; V701-Q703 PolarHBondContact O-N 3.01Å; Q703-E706 PolarHBondContact O-N 3.37Å; Q703-Q707 WeakPolarHBondContact O-CG 3.47Å; Q703-Q707 PolarHBondContact O-N 2.8Å
704	C	98.8	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-45.6	179	-59.6	0	0	0	0	111.6	F653 F673 I700 V701 E706 Q707 C708	F653-C704 HydrophobicContact CB-CB 4.31Å; F653-C704 HydrophobicContact CD1-CB 3.24Å; F653-C704 HydrophobicContact CE1-CB 3.54Å; F653-C704 HydrophobicContact CG-CB 3.8Å; F653-C704 HydrophobicContact CZ-CB 4.32Å; F673-C704 HydrophobicContact CD2-CB 4.05Å; F673-C704 HydrophobicContact CE2-CB 4.48Å; I700-C704 PolarHBondContact O-N 2.94Å; I700-C704 PolarHBondContact O-SG 2.74Å; V701-C704 PolarHBondContact O-N 2.97Å; C704-E706 VanDerWaalsContact C-N 3.33Å; C704-E706 PolarHBondContact O-N 3.34Å; C704-Q707 PolarHBondContact O-N 3.44Å; C704-C708 PolarHBondContact O-N 2.82Å; C704-C708 PolarHBondContact O-SG 2.77Å; C704-C708 VanDerWaalsContact O-SG 3.35Å
705	V	98.8	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.6	-40.2	176.8	176.4	0	0	0	0	111.3	I410 L414 F516 F653 L692 V701 C708 L709	I410-V705 HydrophobicContact CG2-CB 4.19Å; I410-V705 HydrophobicContact CG2-CG1 3.88Å; I410-V705 HydrophobicContact CG2-CG2 4.24Å; L414-V705 HydrophobicContact CD1-CG1 3.91Å; L414-V705 HydrophobicContact CD2-CG1 4.31Å; F516-V705 HydrophobicContact CD2-CG1 4.49Å; F516-V705 HydrophobicContact CE1-CG1 4.24Å; F516-V705 HydrophobicContact CE2-CG1 4.09Å; F516-V705 HydrophobicContact CE2-CG2 4.5Å; F516-V705 HydrophobicContact CZ-CB 4.44Å; F516-V705 HydrophobicContact CZ-CG1 3.99Å; F516-V705 HydrophobicContact CZ-CG2 3.95Å; F653-V705 HydrophobicContact CD2-CG2 4.16Å; F653-V705 HydrophobicContact CE2-CG2 3.54Å; F653-V705 HydrophobicContact CZ-CG2 4.02Å; L692-V705 HydrophobicContact CD1-CG2 4.42Å; V701-V705 HydrophobicContact CG1-CG2 4.19Å; V701-V705 VanDerWaalsContact O-CG2 3.3Å; V701-V705 WeakPolarHBondContact O-CG2 3.48Å; V701-V705 PolarHBondContact O-N 3.45Å; V705-C708 PolarHBondContact O-N 3.47Å; V705-L709 HydrophobicContact CG1-CD1 4.11Å; V705-L709 WeakPolarHBondContact O-CB 2.95Å; V705-L709 PolarHBondContact O-N 3.44Å
706	E	98.6	Very high	97.2	Very high	17 Å²	17	35.8 Å²	35.8	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-47.8	174.4	-179.1	-168.3	175.9	0	0	111.6	Y413 L414 T417 C702 Q703 C704 C708 L709 R710	Y413-E706 HydrophobicContact CE1-CB 3.92Å; Y413-E706 HydrophobicContact CE1-CG 4.37Å; Y413-E706 WeakPolarHBondContact CE1-OE2 3.48Å; Y413-E706 VanDerWaalsContact CZ-OE2 3.3Å; Y413-E706 PolarHBondContact OH-OE2 2.95Å; L414-E706 HydrophobicContact CD2-CB 3.98Å; T417-E706 HydrophobicContact CG2-CG 4.34Å; C702-E706 WeakPolarHBondContact O-CB 3.48Å; C702-E706 PolarHBondContact O-N 3.45Å; Q703-E706 PolarHBondContact O-N 3.37Å; C704-E706 VanDerWaalsContact C-N 3.33Å; C704-E706 PolarHBondContact O-N 3.34Å; E706-C708 PolarHBondContact O-N 2.96Å; E706-L709 PolarHBondContact O-N 3.26Å; E706-R710 WeakPolarHBondContact O-CG 3.37Å; E706-R710 PolarHBondContact O-N 2.96Å; E706-R710 IonicContact OE1-CZ 3.04Å; E706-R710 VanDerWaalsContact OE1-CZ 3.25Å; E706-R710 IonicContact OE1-NE 3.72Å; E706-R710 PolarHBondContact OE1-NE 2.81Å; E706-R710 IonicContact OE1-NH2 3.43Å; E706-R710 PolarHBondContact OE1-NH2 3.28Å
707	Q	98.6	Very high	97.1	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-42.8	179.9	-69.3	-49.7	-51.8	0	0	111.6	P670 A674 Q703 C704 L709 R710 A711	P670-Q707 HydrophobicContact CB-CG 3.85Å; P670-Q707 WeakPolarHBondContact O-CB 3.48Å; A674-Q707 HydrophobicContact CB-CB 3.79Å; Q703-Q707 WeakPolarHBondContact O-CG 3.47Å; Q703-Q707 PolarHBondContact O-N 2.8Å; C704-Q707 PolarHBondContact O-N 3.44Å; Q707-L709 PolarHBondContact O-N 3.3Å; Q707-R710 PolarHBondContact O-N 2.72Å; Q707-A711 PolarHBondContact O-N 2.92Å
708	C	98.8	Very high	96.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-43.3	173.8	-68.1	0	0	0	0	112.7	F516 L690 C704 V705 E706 R710 A711 L712	F516-C708 HydrophobicContact CD2-CB 4.19Å; F516-C708 HydrophobicContact CE2-CB 3.87Å; L690-C708 HydrophobicContact CD2-CB 3.57Å; C704-C708 PolarHBondContact O-N 2.82Å; C704-C708 PolarHBondContact O-SG 2.77Å; C704-C708 VanDerWaalsContact O-SG 3.35Å; V705-C708 PolarHBondContact O-N 3.47Å; E706-C708 PolarHBondContact O-N 2.96Å; C708-R710 VanDerWaalsContact C-N 3.35Å; C708-A711 WeakPolarHBondContact O-CB 3.43Å; C708-A711 PolarHBondContact O-N 3.45Å; C708-L712 WeakPolarHBondContact O-CG 3.35Å; C708-L712 PolarHBondContact O-N 3.36Å
709	L	98.6	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-38	176.9	-83	169.7	0	0	0	112.3	T379 L414 I419 F516 V705 E706 Q707 L712 C713	T379-L709 HydrophobicContact CG2-CD2 4.4Å; L414-L709 HydrophobicContact CD1-CD1 3.59Å; L414-L709 HydrophobicContact CD2-CD1 3.73Å; L414-L709 HydrophobicContact CG-CD1 4.25Å; I419-L709 HydrophobicContact CG1-CB 3.95Å; I419-L709 HydrophobicContact CG2-CD1 4.4Å; F516-L709 HydrophobicContact CB-CD2 3.68Å; F516-L709 HydrophobicContact CB-CG 4.29Å; F516-L709 HydrophobicContact CD2-CG 4.28Å; F516-L709 HydrophobicContact CG-CD2 4.39Å; F516-L709 HydrophobicContact CG-CG 4.48Å; V705-L709 HydrophobicContact CG1-CD1 4.11Å; V705-L709 WeakPolarHBondContact O-CB 2.95Å; V705-L709 PolarHBondContact O-N 3.44Å; E706-L709 PolarHBondContact O-N 3.26Å; Q707-L709 PolarHBondContact O-N 3.3Å; L709-L712 HydrophobicContact CD2-CD1 4.36Å; L709-L712 PolarHBondContact O-N 3.36Å; L709-C713 WeakPolarHBondContact O-CB 3.47Å; L709-C713 PolarHBondContact O-N 3.25Å; L709-C713 PolarHBondContact O-SG 3.39Å; L709-C713 VanDerWaalsContact O-SG 3.36Å
710	R	98	Very high	96.6	Very high	51 Å²	51	37.6 Å²	37.6	19%	0.192	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-44.7	172.9	-73.9	175.5	179.9	-72.2	-1.8	111.2	I419 E706 Q707 C708 C713 H714 D715 Q716 I717	I419-R710 HydrophobicContact CD1-CG 3.85Å; I419-R710 HydrophobicContact CG1-CG 4.32Å; E706-R710 WeakPolarHBondContact O-CG 3.37Å; E706-R710 PolarHBondContact O-N 2.96Å; E706-R710 IonicContact OE1-CZ 3.04Å; E706-R710 VanDerWaalsContact OE1-CZ 3.25Å; E706-R710 IonicContact OE1-NE 3.72Å; E706-R710 PolarHBondContact OE1-NE 2.81Å; E706-R710 IonicContact OE1-NH2 3.43Å; E706-R710 PolarHBondContact OE1-NH2 3.28Å; Q707-R710 PolarHBondContact O-N 2.72Å; C708-R710 VanDerWaalsContact C-N 3.35Å; R710-C713 PolarHBondContact O-N 2.97Å; R710-H714 PolarHBondContact O-N 2.87Å; R710-D715 HydrophobicContact CB-CB 4.15Å; R710-D715 HydrophobicContact CG-CB 4.4Å; R710-D715 IonicContact NH1-OD2 3.71Å; R710-D715 PolarHBondContact NH1-OD2 3.43Å; R710-D715 WeakPolarHBondContact O-CB 3.41Å; R710-D715 PolarHBondContact O-N 3.34Å; R710-Q716 WeakPolarHBondContact CD-O 3.43Å; R710-I717 HydrophobicContact CB-CG2 3.82Å
711	A	98.1	Very high	96.4	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-49.8	174.9	0	0	0	0	0	111.8	A674 T677 Q707 C708 C713 H714 I717	A674-A711 HydrophobicContact CB-CB 4.28Å; T677-A711 HydrophobicContact CG2-CB 3.91Å; Q707-A711 PolarHBondContact O-N 2.92Å; C708-A711 WeakPolarHBondContact O-CB 3.43Å; C708-A711 PolarHBondContact O-N 3.45Å; A711-C713 VanDerWaalsContact C-N 3.26Å; A711-C713 PolarHBondContact O-N 3.45Å; A711-H714 PolarHBondContact O-N 2.81Å; A711-I717 HydrophobicContact CB-CG2 3.97Å
712	L	98.5	Very high	96.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.2	-36.9	178.4	-71.6	167.8	0	0	0	113	T379 N514 F516 T677 M681 L690 C708 L709 H714	T379-L712 HydrophobicContact CG2-CB 3.73Å; T379-L712 HydrophobicContact CG2-CD1 4.39Å; T379-L712 PolarHBondContact OG1-O 2.89Å; N514-L712 HydrophobicContact CB-CD2 3.79Å; N514-L712 PolarHBondContact ND2-O 3.38Å; N514-L712 PolarHBondContact OD1-O 2.99Å; F516-L712 HydrophobicContact CB-CD1 4.13Å; F516-L712 HydrophobicContact CD2-CD1 4.26Å; T677-L712 HydrophobicContact CG2-CD2 3.95Å; T677-L712 HydrophobicContact CG2-CG 3.88Å; M681-L712 HydrophobicContact SD-CD2 4.02Å; L690-L712 HydrophobicContact CD1-CD1 4.32Å; L690-L712 HydrophobicContact CD1-CD2 4.25Å; C708-L712 WeakPolarHBondContact O-CG 3.35Å; C708-L712 PolarHBondContact O-N 3.36Å; L709-L712 HydrophobicContact CD2-CD1 4.36Å; L709-L712 PolarHBondContact O-N 3.36Å; L712-H714 VanDerWaalsContact C-N 3.27Å; L712-H714 PolarHBondContact O-N 2.99Å
713	C	97.2	Very high	95.8	Very high	22 Å²	22	51.9 Å²	51.9	15%	0.149	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	4.2	178	-72.5	0	0	0	0	114.3	T379 I419 L709 R710 A711 D715	T379-C713 WeakPolarHBondContact OG1-CA 3.42Å; T379-C713 PolarHBondContact OG1-N 3.2Å; T379-C713 PolarHBondContact OG1-SG 2.78Å; I419-C713 HydrophobicContact CD1-CB 4.45Å; L709-C713 WeakPolarHBondContact O-CB 3.47Å; L709-C713 PolarHBondContact O-N 3.25Å; L709-C713 PolarHBondContact O-SG 3.39Å; L709-C713 VanDerWaalsContact O-SG 3.36Å; R710-C713 PolarHBondContact O-N 2.97Å; A711-C713 VanDerWaalsContact C-N 3.26Å; A711-C713 PolarHBondContact O-N 3.45Å; C713-D715 HydrophobicContact CB-CB 4.32Å; C713-D715 PolarHBondContact O-N 2.94Å
714	H	95	Very high	95.5	Very high	115 Å²	115	48.9 Å²	48.9	53%	0.532	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	33	-170.6	-52.5	-80.7	0	0	0	113	E513 M681 R710 A711 L712	E513-H714 IonicContact OE1-NE2 3.9Å; E513-H714 IonicContact OE2-NE2 2.74Å; M681-H714 WeakPolarHBondContact CE-CE1 3.44Å; R710-H714 PolarHBondContact O-N 2.87Å; A711-H714 PolarHBondContact O-N 2.81Å; L712-H714 VanDerWaalsContact C-N 3.27Å; L712-H714 PolarHBondContact O-N 2.99Å
715	D	93.8	Very high	95.2	Very high	41 Å²	41	50.2 Å²	50.2	22%	0.219	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-88.7	170.4	179	-159.7	11	0	0	0	111	K422 R710 C713 I717	K422-D715 IonicContact NZ-OD1 3.66Å; K422-D715 PolarHBondContact NZ-OD1 3.08Å; K422-D715 IonicContact NZ-OD2 2.7Å; K422-D715 PolarHBondContact NZ-OD2 3.18Å; R710-D715 HydrophobicContact CB-CB 4.15Å; R710-D715 HydrophobicContact CG-CB 4.4Å; R710-D715 IonicContact NH1-OD2 3.71Å; R710-D715 PolarHBondContact NH1-OD2 3.43Å; R710-D715 WeakPolarHBondContact O-CB 3.41Å; R710-D715 PolarHBondContact O-N 3.34Å; C713-D715 HydrophobicContact CB-CB 4.32Å; C713-D715 PolarHBondContact O-N 2.94Å; D715-I717 PolarHBondContact O-N 2.98Å; D715-I717 VanDerWaalsContact O-N 3.1Å
716	Q	90.8	Very high	94.8	Very high	164 Å²	164	53.2 Å²	53.2	77%	0.766	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-62.2	116.8	172.3	-171.5	179	19.2	0	0	110.1	R710	R710-Q716 WeakPolarHBondContact CD-O 3.43Å
717	I	92.5	Very high	94.5	Very high	51 Å²	51	57.3 Å²	57.3	26%	0.262	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-94.5	156.3	170.6	58.8	172.7	0	0	0	110.4	A674 R710 A711 D715 S719	A674-I717 HydrophobicContact CB-CB 4.09Å; A674-I717 HydrophobicContact CB-CD1 4.16Å; A674-I717 HydrophobicContact CB-CG2 3.95Å; R710-I717 HydrophobicContact CB-CG2 3.82Å; A711-I717 HydrophobicContact CB-CG2 3.97Å; D715-I717 PolarHBondContact O-N 2.98Å; D715-I717 VanDerWaalsContact O-N 3.1Å; I717-S719 PolarHBondContact O-N 3.36Å
718	V	91.2	Very high	94.2	Very high	84 Å²	84	59.1 Å²	59.1	51%	0.509	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-66.6	126.3	169.3	176.2	0	0	0	0	108.4	A671	A671-V718 HydrophobicContact CB-CB 4.3Å; A671-V718 HydrophobicContact CB-CG1 4.15Å; A671-V718 WeakPolarHBondContact CB-O 3.01Å
719	S	92.5	Very high	94.1	Very high	102 Å²	102	59.2 Å²	59.2	71%	0.713	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-64.4	144.8	174.5	-57.7	0	0	0	0	110.8	I717	I717-S719 PolarHBondContact O-N 3.36Å
720	L	95.3	Very high	93.9	Very high	20 Å²	20	60.4 Å²	60.4	11%	0.105	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-58.1	147.4	167.4	-73.4	166	0	0	0	110	L628 A671 L672 Y675 L725	L628-L720 HydrophobicContact CD1-CD1 4.16Å; L628-L720 HydrophobicContact CD2-CD1 3.93Å; A671-L720 HydrophobicContact CB-CD2 4.1Å; L672-L720 HydrophobicContact CB-CD2 4.16Å; Y675-L720 HydrophobicContact CD2-CD1 3.64Å; Y675-L720 HydrophobicContact CE2-CD1 4.25Å; Y675-L720 HydrophobicContact CG-CD1 3.81Å; L720-L725 HydrophobicContact CB-CD1 4.29Å; L720-L725 HydrophobicContact CB-CD2 3.98Å; L720-L725 HydrophobicContact CB-CG 3.96Å; L720-L725 HydrophobicContact CD1-CD2 3.84Å
721	S	93.9	Very high	93.9	Very high	58 Å²	58	63.3 Å²	63.3	41%	0.406	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.9	151.1	177.4	78.8	0	0	0	0	110.9	E723 S724 L725	S721-E723 PolarHBondContact O-N 3.4Å; S721-S724 WeakPolarHBondContact O-CB 3.24Å; S721-S724 PolarHBondContact O-N 3.49Å; S721-S724 WeakPolarHBondContact OG-CB 3.37Å; S721-S724 PolarHBondContact OG-N 2.98Å; S721-S724 PolarHBondContact OG-OG 3.19Å; S721-L725 PolarHBondContact O-N 3.02Å; S721-L725 VanDerWaalsContact O-N 3.07Å
722	E	92.9	Very high	93.9	Very high	135 Å²	135	63.7 Å²	63.7	63%	0.631	35%	0.346	S	S	*	.	H	α-helix	trans	-56.3	-32.9	172.6	-71.2	-61.9	159.1	0	0	112	L725 S726	E722-L725 PolarHBondContact O-N 2.9Å; E722-S726 VanDerWaalsContact O-CB 3.23Å; E722-S726 WeakPolarHBondContact O-CB 3.29Å; E722-S726 PolarHBondContact O-N 3.46Å; E722-S726 PolarHBondContact O-OG 3.38Å
723	E	91.1	Very high	93.8	Very high	133 Å²	133	63.7 Å²	63.7	62%	0.621	35%	0.346	S	S	*	.	H	α-helix	trans	-64.9	-46.7	173.8	-174.1	-178.2	168.2	0	0	111.3	S721 L725 S726 K727	S721-E723 PolarHBondContact O-N 3.4Å; E723-L725 PolarHBondContact O-N 3.5Å; E723-S726 PolarHBondContact O-N 2.87Å; E723-K727 WeakPolarHBondContact O-CB 3.35Å; E723-K727 PolarHBondContact O-N 3.34Å
724	S	92.5	Very high	93.8	Very high	17 Å²	17	63.8 Å²	63.8	12%	0.119	34%	0.344	C	S	.	.	H	α-helix	trans	-58.1	-35.8	177.5	-58.4	0	0	0	0	111.9	D624 S721	D624-S724 WeakPolarHBondContact OD2-CB 3.47Å; D624-S724 PolarHBondContact OD2-OG 3.47Å; S721-S724 WeakPolarHBondContact O-CB 3.24Å; S721-S724 PolarHBondContact O-N 3.49Å; S721-S724 WeakPolarHBondContact OG-CB 3.37Å; S721-S724 PolarHBondContact OG-N 2.98Å; S721-S724 PolarHBondContact OG-OG 3.19Å
725	L	92	Very high	93.9	Very high	27 Å²	27	63.5 Å²	63.5	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-85.5	-36.1	-176.9	-64.6	171.5	0	0	0	113.8	L628 L720 S721 E722 E723 S760 Q761 N762	L628-L725 HydrophobicContact CD1-CD2 4.45Å; L720-L725 HydrophobicContact CB-CD1 4.29Å; L720-L725 HydrophobicContact CB-CD2 3.98Å; L720-L725 HydrophobicContact CB-CG 3.96Å; L720-L725 HydrophobicContact CD1-CD2 3.84Å; S721-L725 PolarHBondContact O-N 3.02Å; S721-L725 VanDerWaalsContact O-N 3.07Å; E722-L725 PolarHBondContact O-N 2.9Å; E723-L725 PolarHBondContact O-N 3.5Å; L725-S760 WeakPolarHBondContact O-CB 3.48Å; L725-Q761 HydrophobicContact CB-CB 4.39Å; L725-Q761 HydrophobicContact CD2-CB 3.92Å; L725-Q761 HydrophobicContact CD2-CG 3.69Å; L725-Q761 WeakPolarHBondContact O-CA 3.44Å; L725-Q761 WeakPolarHBondContact O-CB 3.31Å; L725-Q761 PolarHBondContact O-N 2.86Å; L725-N762 VanDerWaalsContact CB-OD1 3.3Å; L725-N762 WeakPolarHBondContact CB-OD1 3.44Å; L725-N762 PolarHBondContact O-N 3.42Å
726	S	90.7	Very high	94.1	Very high	64 Å²	64	61.7 Å²	61.7	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-86.4	-21.7	-177.6	60.5	0	0	0	0	113.7	E722 E723 S760	E722-S726 VanDerWaalsContact O-CB 3.23Å; E722-S726 WeakPolarHBondContact O-CB 3.29Å; E722-S726 PolarHBondContact O-N 3.46Å; E722-S726 PolarHBondContact O-OG 3.38Å; E723-S726 PolarHBondContact O-N 2.87Å; S726-S760 WeakPolarHBondContact O-CB 3.36Å
727	K	92	Very high	94.5	Very high	103 Å²	103	53.9 Å²	53.9	45%	0.448	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-78	129.3	-177.9	-174.1	178.3	177.6	-175.1	0	111.1	A625 E723	A625-K727 HydrophobicContact CB-CB 4.41Å; A625-K727 VanDerWaalsContact CB-O 3.32Å; A625-K727 WeakPolarHBondContact CB-O 3.34Å; E723-K727 WeakPolarHBondContact O-CB 3.35Å; E723-K727 PolarHBondContact O-N 3.34Å
728	P	93.3	Very high	94.7	Very high	51 Å²	51	57.2 Å²	57.2	33%	0.331	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-75.8	156.2	170.2	32.4	-35.8	0	0	0	111.2	N758	P728-N758 VanDerWaalsContact CB-O 3.3Å; P728-N758 WeakPolarHBondContact CB-O 3.29Å
729	P	95.2	Very high	95	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.019	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-54.8	147.3	176.3	-25.5	33.6	0	0	0	113.1	E626 A629 A733 K734	E626-P729 HydrophobicContact CG-CB 4.15Å; E626-P729 WeakPolarHBondContact OE1-CA 3.35Å; A629-P729 HydrophobicContact CB-CB 4.39Å; A629-P729 HydrophobicContact CB-CG 3.31Å; P729-A733 HydrophobicContact CB-CB 4.2Å; P729-K734 HydrophobicContact CB-CG 4.13Å; P729-K734 WeakPolarHBondContact O-CE 3.27Å; P729-K734 PolarHBondContact O-NZ 3.15Å
730	C	96.1	Very high	95.2	Very high	24 Å²	24	54.6 Å²	54.6	16%	0.162	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.4	161.6	173.6	76.1	0	0	0	0	111.9	E626 S732 A733 K734	E626-C730 PolarHBondContact OE1-N 2.85Å; C730-S732 VanDerWaalsContact C-N 3.33Å; C730-S732 PolarHBondContact O-N 3.49Å; C730-S732 PolarHBondContact SG-OG 3.38Å; C730-S732 VanDerWaalsContact SG-OG 3.42Å; C730-A733 PolarHBondContact O-N 3.17Å; C730-A733 WeakPolarHBondContact SG-CB 3.49Å; C730-A733 PolarHBondContact SG-N 3.47Å; C730-A733 VanDerWaalsContact SG-N 3.45Å; C730-K734 WeakPolarHBondContact O-CG 3.46Å; C730-K734 PolarHBondContact O-N 3.43Å
731	N	96.9	Very high	95.4	Very high	112 Å²	112	53.7 Å²	53.7	60%	0.599	27%	0.27	S	S	*	.	H	α-helix	trans	-64.2	-36.8	-173.9	-75.8	-32.7	0	0	0	112.9	K734 Q735	N731-K734 PolarHBondContact O-N 2.88Å; N731-Q735 VanDerWaalsContact O-CG 3.32Å; N731-Q735 WeakPolarHBondContact O-CG 3.43Å; N731-Q735 PolarHBondContact O-N 3.4Å; N731-Q735 VanDerWaalsContact O-N 3.09Å
732	S	97.7	Very high	95.5	Very high	12 Å²	12	53.9 Å²	53.9	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-39.2	177.8	65	0	0	0	0	111.6	Y618 D620 M622 C730 Q735 A736	Y618-S732 WeakPolarHBondContact O-CB 3.47Å; Y618-S732 PolarHBondContact O-OG 3.42Å; D620-S732 PolarHBondContact N-OG 3.04Å; M622-S732 WeakPolarHBondContact CE-OG 3.31Å; C730-S732 VanDerWaalsContact C-N 3.33Å; C730-S732 PolarHBondContact O-N 3.49Å; C730-S732 PolarHBondContact SG-OG 3.38Å; C730-S732 VanDerWaalsContact SG-OG 3.42Å; S732-Q735 PolarHBondContact O-N 3.45Å; S732-A736 PolarHBondContact O-N 3.11Å
733	A	97.9	Very high	95.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-45.1	172.1	0	0	0	0	0	112.3	W617 M622 E626 P729 C730 Q735 A736 L737	W617-A733 HydrophobicContact CE3-CB 4.05Å; W617-A733 HydrophobicContact CH2-CB 4.4Å; W617-A733 HydrophobicContact CZ3-CB 3.6Å; M622-A733 HydrophobicContact CE-CB 4.26Å; M622-A733 HydrophobicContact SD-CB 3.78Å; E626-A733 HydrophobicContact CB-CB 3.97Å; E626-A733 HydrophobicContact CG-CB 3.32Å; P729-A733 HydrophobicContact CB-CB 4.2Å; C730-A733 PolarHBondContact O-N 3.17Å; C730-A733 WeakPolarHBondContact SG-CB 3.49Å; C730-A733 PolarHBondContact SG-N 3.47Å; C730-A733 VanDerWaalsContact SG-N 3.45Å; A733-Q735 VanDerWaalsContact C-N 3.27Å; A733-Q735 PolarHBondContact O-N 3.43Å; A733-A736 PolarHBondContact O-N 3.45Å; A733-L737 WeakPolarHBondContact O-CB 3.46Å; A733-L737 WeakPolarHBondContact O-CG 3.35Å; A733-L737 PolarHBondContact O-N 2.96Å
734	K	97.2	Very high	96	Very high	23 Å²	23	42.3 Å²	42.3	10%	0.1	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-41.1	174.9	-71.1	171.3	174.3	162.5	0	112	P729 C730 N731 K738 L757 N758	P729-K734 HydrophobicContact CB-CG 4.13Å; P729-K734 WeakPolarHBondContact O-CE 3.27Å; P729-K734 PolarHBondContact O-NZ 3.15Å; C730-K734 WeakPolarHBondContact O-CG 3.46Å; C730-K734 PolarHBondContact O-N 3.43Å; N731-K734 PolarHBondContact O-N 2.88Å; K734-K738 WeakPolarHBondContact O-CB 3.35Å; K734-K738 VanDerWaalsContact O-CG 3.3Å; K734-K738 WeakPolarHBondContact O-CG 3.37Å; K734-K738 PolarHBondContact O-N 3.32Å; K734-L757 HydrophobicContact CB-CB 4.47Å; K734-L757 HydrophobicContact CB-CD1 4.32Å; K734-L757 WeakPolarHBondContact CE-O 3.41Å; K734-L757 HydrophobicContact CG-CB 3.97Å; K734-L757 WeakPolarHBondContact O-CD1 3.47Å; K734-N758 VanDerWaalsContact CE-OD1 3.31Å; K734-N758 WeakPolarHBondContact CE-OD1 3.4Å; K734-N758 PolarHBondContact NZ-OD1 3.19Å
735	Q	96.8	Very high	96.2	Very high	110 Å²	110	45.2 Å²	45.2	51%	0.514	23%	0.23	S	C	.	.	H	α-helix	trans	-69.1	-42.3	178	-69.2	173.7	34.5	0	0	112	Y618 N731 S732 A733 K738 R739	Y618-Q735 WeakPolarHBondContact OH-CB 3.24Å; Y618-Q735 PolarHBondContact OH-OE1 2.84Å; N731-Q735 VanDerWaalsContact O-CG 3.32Å; N731-Q735 WeakPolarHBondContact O-CG 3.43Å; N731-Q735 PolarHBondContact O-N 3.4Å; N731-Q735 VanDerWaalsContact O-N 3.09Å; S732-Q735 PolarHBondContact O-N 3.45Å; A733-Q735 VanDerWaalsContact C-N 3.27Å; A733-Q735 PolarHBondContact O-N 3.43Å; Q735-K738 PolarHBondContact O-N 3.42Å; Q735-R739 PolarHBondContact O-N 3.14Å
736	A	98.1	Very high	96.3	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-58.1	-50.4	173.6	0	0	0	0	0	111.2	W617 Y618 S732 A733 K738 R739 V740	W617-A736 HydrophobicContact CE3-CB 3.99Å; W617-A736 HydrophobicContact CZ3-CB 4.22Å; Y618-A736 HydrophobicContact CD1-CB 4.14Å; Y618-A736 HydrophobicContact CE1-CB 3.8Å; S732-A736 PolarHBondContact O-N 3.11Å; A733-A736 PolarHBondContact O-N 3.45Å; A736-K738 PolarHBondContact O-N 2.84Å; A736-R739 WeakPolarHBondContact O-CB 3.42Å; A736-R739 PolarHBondContact O-N 3.4Å; A736-R739 VanDerWaalsContact O-N 3.13Å; A736-V740 WeakPolarHBondContact O-CG2 3.34Å; A736-V740 PolarHBondContact O-N 3.09Å
737	L	98.2	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-43.5	178.7	-70.5	175.4	0	0	0	112.5	I615 W617 A629 A630 V634 A733 R739 V740 L741 L757	I615-L737 HydrophobicContact CG2-CD2 4.03Å; W617-L737 HydrophobicContact CH2-CD1 4.11Å; W617-L737 HydrophobicContact CH2-CD2 3.78Å; W617-L737 HydrophobicContact CH2-CG 3.86Å; W617-L737 HydrophobicContact CZ3-CD1 4.38Å; W617-L737 HydrophobicContact CZ3-CD2 4.17Å; W617-L737 HydrophobicContact CZ3-CG 3.88Å; A629-L737 HydrophobicContact CB-CD1 3.91Å; A630-L737 HydrophobicContact CB-CD2 3.97Å; V634-L737 HydrophobicContact CG2-CD2 3.98Å; A733-L737 WeakPolarHBondContact O-CB 3.46Å; A733-L737 WeakPolarHBondContact O-CG 3.35Å; A733-L737 PolarHBondContact O-N 2.96Å; L737-R739 VanDerWaalsContact C-N 3.27Å; L737-R739 PolarHBondContact O-N 2.93Å; L737-V740 PolarHBondContact O-N 2.86Å; L737-L741 WeakPolarHBondContact O-CB 3.48Å; L737-L741 WeakPolarHBondContact O-CG 3.22Å; L737-L741 PolarHBondContact O-N 3.07Å; L737-L757 HydrophobicContact CB-CD1 3.76Å; L737-L757 HydrophobicContact CD1-CD2 4.38Å
738	K	97.1	Very high	96.9	Very high	120 Å²	120	47.7 Å²	47.7	52%	0.522	23%	0.229	S	C	.	.	H	α-helix	trans	-57.1	-41.9	173.9	-79.3	176.6	-178.4	-177.2	0	111.9	K734 Q735 A736 S742 L757	K734-K738 WeakPolarHBondContact O-CB 3.35Å; K734-K738 VanDerWaalsContact O-CG 3.3Å; K734-K738 WeakPolarHBondContact O-CG 3.37Å; K734-K738 PolarHBondContact O-N 3.32Å; Q735-K738 PolarHBondContact O-N 3.42Å; A736-K738 PolarHBondContact O-N 2.84Å; K738-S742 WeakPolarHBondContact O-CB 3.5Å; K738-S742 PolarHBondContact O-N 3.5Å; K738-L757 HydrophobicContact CG-CD1 3.74Å
739	R	97.1	Very high	96.9	Very high	131 Å²	131	49.9 Å²	49.9	49%	0.494	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-49.2	177.5	-179.5	58.1	176.2	148.6	2.6	110.9	A600 Q735 A736 L737 S742 I743	A600-R739 HydrophobicContact CB-CG 4.17Å; Q735-R739 PolarHBondContact O-N 3.14Å; A736-R739 WeakPolarHBondContact O-CB 3.42Å; A736-R739 PolarHBondContact O-N 3.4Å; A736-R739 VanDerWaalsContact O-N 3.13Å; L737-R739 VanDerWaalsContact C-N 3.27Å; L737-R739 PolarHBondContact O-N 2.93Å; R739-S742 PolarHBondContact O-N 2.87Å; R739-S742 PolarHBondContact O-OG 3Å; R739-I743 HydrophobicContact CG-CD1 4.24Å; R739-I743 WeakPolarHBondContact O-CG1 3.36Å; R739-I743 PolarHBondContact O-N 3.31Å
740	V	98.4	Very high	96.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-50.7	177.9	175.2	0	0	0	0	110.9	A600 N614 I615 V634 A736 L737 S742 I743 Q744	A600-V740 HydrophobicContact CB-CG2 4.12Å; N614-V740 VanDerWaalsContact O-CG2 3.31Å; N614-V740 WeakPolarHBondContact O-CG2 3.46Å; I615-V740 HydrophobicContact CG1-CG1 4.36Å; V634-V740 HydrophobicContact CG1-CG1 3.95Å; V634-V740 HydrophobicContact CG2-CG1 4.25Å; A736-V740 WeakPolarHBondContact O-CG2 3.34Å; A736-V740 PolarHBondContact O-N 3.09Å; L737-V740 PolarHBondContact O-N 2.86Å; V740-S742 VanDerWaalsContact C-N 3.3Å; V740-S742 PolarHBondContact O-N 3Å; V740-I743 PolarHBondContact O-N 3.3Å; V740-I743 VanDerWaalsContact O-N 3.1Å; V740-Q744 HydrophobicContact CG1-CG 3.92Å; V740-Q744 WeakPolarHBondContact O-CB 3.48Å; V740-Q744 VanDerWaalsContact O-CG 3.32Å; V740-Q744 WeakPolarHBondContact O-CG 3.4Å; V740-Q744 PolarHBondContact O-N 3.5Å
741	L	97.9	Very high	96.3	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-42.9	178.7	-70.6	166.7	0	0	0	111.9	Y633 V634 L737 I743 Q744 Q745 I751 A753 V755 L757	Y633-L741 WeakPolarHBondContact O-CD2 3.3Å; V634-L741 HydrophobicContact CG2-CD2 4.01Å; V634-L741 HydrophobicContact CG2-CG 4.3Å; L737-L741 WeakPolarHBondContact O-CB 3.48Å; L737-L741 WeakPolarHBondContact O-CG 3.22Å; L737-L741 PolarHBondContact O-N 3.07Å; L741-I743 VanDerWaalsContact C-N 3.27Å; L741-I743 PolarHBondContact O-N 3.46Å; L741-Q744 PolarHBondContact O-N 3.42Å; L741-Q745 WeakPolarHBondContact O-CB 3.35Å; L741-Q745 PolarHBondContact O-N 3.42Å; L741-I751 HydrophobicContact CD2-CB 3.98Å; L741-I751 HydrophobicContact CD2-CD1 4.07Å; L741-I751 HydrophobicContact CD2-CG1 4.11Å; L741-A753 HydrophobicContact CB-CB 4.3Å; L741-V755 HydrophobicContact CD1-CG1 3.8Å; L741-L757 HydrophobicContact CD1-CD2 4.46Å
742	S	96.2	Very high	95.8	Very high	62 Å²	62	54.6 Å²	54.6	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-32.7	179.1	75.2	0	0	0	0	113.7	K738 R739 V740	K738-S742 WeakPolarHBondContact O-CB 3.5Å; K738-S742 PolarHBondContact O-N 3.5Å; R739-S742 PolarHBondContact O-N 2.87Å; R739-S742 PolarHBondContact O-OG 3Å; V740-S742 VanDerWaalsContact C-N 3.3Å; V740-S742 PolarHBondContact O-N 3Å
743	I	97.5	Very high	94.9	Very high	24 Å²	24	55.7 Å²	55.7	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-81.1	-49.8	179.1	-65.5	169.3	0	0	0	109.6	A600 D601 I603 R739 V740 L741 Q745	A600-I743 HydrophobicContact CB-CD1 3.85Å; A600-I743 WeakPolarHBondContact O-CD1 3.45Å; D601-I743 HydrophobicContact CB-CD1 4.19Å; I603-I743 HydrophobicContact CG2-CG2 3.58Å; R739-I743 HydrophobicContact CG-CD1 4.24Å; R739-I743 WeakPolarHBondContact O-CG1 3.36Å; R739-I743 PolarHBondContact O-N 3.31Å; V740-I743 PolarHBondContact O-N 3.3Å; V740-I743 VanDerWaalsContact O-N 3.1Å; L741-I743 VanDerWaalsContact C-N 3.27Å; L741-I743 PolarHBondContact O-N 3.46Å; I743-Q745 VanDerWaalsContact C-N 3.35Å; I743-Q745 PolarHBondContact O-N 3.4Å
744	Q	97.6	Very high	94.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-76.4	-21.4	-168.9	-66.1	-63.8	-13.6	0	0	113.1	T612 V613 V740 L741 K746 Y747 W748 I751	T612-Q744 PolarHBondContact O-NE2 2.94Å; V613-Q744 HydrophobicContact CG1-CG 4.07Å; V740-Q744 HydrophobicContact CG1-CG 3.92Å; V740-Q744 WeakPolarHBondContact O-CB 3.48Å; V740-Q744 VanDerWaalsContact O-CG 3.32Å; V740-Q744 WeakPolarHBondContact O-CG 3.4Å; V740-Q744 PolarHBondContact O-N 3.5Å; L741-Q744 PolarHBondContact O-N 3.42Å; Q744-K746 PolarHBondContact O-N 3.19Å; Q744-K746 VanDerWaalsContact O-N 3.11Å; Q744-Y747 PolarHBondContact O-N 3.05Å; Q744-W748 PolarHBondContact O-N 3.02Å; Q744-I751 HydrophobicContact CB-CD1 3.42Å; Q744-I751 VanDerWaalsContact CB-CD1 3.42Å
745	Q	96	Very high	93.5	Very high	79 Å²	79	60.4 Å²	60.4	37%	0.369	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.3	-180	-179.6	175.5	53.6	0	0	112.7	L741 I743 Y747 I751	L741-Q745 WeakPolarHBondContact O-CB 3.35Å; L741-Q745 PolarHBondContact O-N 3.42Å; I743-Q745 VanDerWaalsContact C-N 3.35Å; I743-Q745 PolarHBondContact O-N 3.4Å; Q745-Y747 PolarHBondContact O-N 3.09Å; Q745-I751 HydrophobicContact CB-CD1 4.18Å; Q745-I751 HydrophobicContact CB-CG1 3.85Å; Q745-I751 HydrophobicContact CG-CG1 4.39Å; Q745-I751 VanDerWaalsContact N-CD1 3.25Å; Q745-I751 PolarHBondContact NE2-O 2.8Å; Q745-I751 VanDerWaalsContact NE2-O 3.12Å
746	K	95.6	Very high	92.9	Very high	162 Å²	162	59.6 Å²	59.6	70%	0.704	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.8	174	-176.7	178.7	172.8	-167.2	0	113.1	Q744	Q744-K746 PolarHBondContact O-N 3.19Å; Q744-K746 VanDerWaalsContact O-N 3.11Å
747	Y	97.4	Very high	92.5	Very high	65 Å²	65	59.5 Å²	59.5	26%	0.255	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-27.2	-174.3	-54.2	-72.7	0	0	0	112.2	I603 V609 Q744 Q745 P749	I603-Y747 HydrophobicContact CD1-CE2 3.75Å; I603-Y747 WeakPolarHBondContact CD1-OH 3.49Å; V609-Y747 HydrophobicContact CG1-CD1 4.44Å; V609-Y747 HydrophobicContact CG1-CE1 3.56Å; Q744-Y747 PolarHBondContact O-N 3.05Å; Q745-Y747 PolarHBondContact O-N 3.09Å; Y747-P749 WeakPolarHBondContact O-CD 3.24Å
748	W	97.6	Very high	91.8	Very high	18 Å²	18	63.9 Å²	63.9	7%	0.068	33%	0.331	C	S	.	.			trans	-127.4	72.2	-174	-56.6	109.9	0	0	0	110.8	L581 G610 Y611 V638 Q641 F642 Q744 K750 I751	L581-W748 HydrophobicContact CD1-CH2 4.49Å; L581-W748 HydrophobicContact CD1-CZ2 3.87Å; G610-W748 VanDerWaalsContact O-CE2 3.31Å; G610-W748 VanDerWaalsContact O-CZ2 3.24Å; G610-W748 WeakPolarHBondContact O-CZ2 3.28Å; G610-W748 PolarHBondContact O-NE1 3.29Å; Y611-W748 HydrophobicContact CD1-CH2 4.36Å; Y611-W748 HydrophobicContact CD1-CZ2 4.41Å; Y611-W748 HydrophobicContact CE1-CH2 4.24Å; V638-W748 HydrophobicContact CB-CD2 4.47Å; V638-W748 HydrophobicContact CG1-CD2 3.82Å; V638-W748 HydrophobicContact CG1-CE3 4.23Å; V638-W748 HydrophobicContact CG1-CG 4.24Å; V638-W748 HydrophobicContact CG1-CH2 4.38Å; V638-W748 HydrophobicContact CG1-CZ2 4Å; V638-W748 HydrophobicContact CG1-CZ3 4.49Å; V638-W748 HydrophobicContact CG2-CB 4.12Å; V638-W748 HydrophobicContact CG2-CD2 4.27Å; V638-W748 HydrophobicContact CG2-CG 3.82Å; Q641-W748 HydrophobicContact CB-CE3 3.59Å; Q641-W748 HydrophobicContact CB-CZ3 3.91Å; Q641-W748 PolarHBondContact NE2-O 3.42Å; F642-W748 HydrophobicContact CB-CH2 3.81Å; F642-W748 HydrophobicContact CB-CZ3 3.87Å; F642-W748 AromaticContact CD2-CH2 3.94Å; F642-W748 HydrophobicContact CD2-CH2 3.94Å; F642-W748 HydrophobicContact CG-CH2 4.28Å; Q744-W748 PolarHBondContact O-N 3.02Å; W748-K750 PolarHBondContact O-N 2.87Å; W748-I751 HydrophobicContact CB-CD1 4.35Å; W748-I751 HydrophobicContact CB-CG2 4.05Å; W748-I751 WeakPolarHBondContact O-CG1 3.38Å; W748-I751 WeakPolarHBondContact O-CG2 3.3Å; W748-I751 PolarHBondContact O-N 2.69Å
749	P	93.1	Very high	90.9	Very high	98 Å²	98	59.1 Å²	59.1	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.8	-168.8	-27.6	35.1	0	0	0	117.3	Y747 I751	Y747-P749 WeakPolarHBondContact O-CD 3.24Å; P749-I751 PolarHBondContact O-N 3.41Å
750	K	88.7	Confident	89.9	Confident	147 Å²	147	53.2 Å²	53.2	64%	0.639	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-11	174.8	-59.5	-174	-177.5	175.6	0	113.8	Q641 W748	Q641-K750 HydrophobicContact CG-CB 4.06Å; Q641-K750 HydrophobicContact CG-CD 3.7Å; Q641-K750 HydrophobicContact CG-CG 3.82Å; W748-K750 PolarHBondContact O-N 2.87Å
751	I	90.4	Very high	89	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.015	29%	0.293	C	S	.	.	S	Bend	trans	-80	134.2	173.1	82.6	-175.1	0	0	0	109.7	P637 V638 L741 Q744 Q745 W748 P749	P637-I751 HydrophobicContact CB-CG2 3.81Å; V638-I751 HydrophobicContact CG2-CG2 4.16Å; L741-I751 HydrophobicContact CD2-CB 3.98Å; L741-I751 HydrophobicContact CD2-CD1 4.07Å; L741-I751 HydrophobicContact CD2-CG1 4.11Å; Q744-I751 HydrophobicContact CB-CD1 3.42Å; Q744-I751 VanDerWaalsContact CB-CD1 3.42Å; Q745-I751 HydrophobicContact CB-CD1 4.18Å; Q745-I751 HydrophobicContact CB-CG1 3.85Å; Q745-I751 HydrophobicContact CG-CG1 4.39Å; Q745-I751 VanDerWaalsContact N-CD1 3.25Å; Q745-I751 PolarHBondContact NE2-O 2.8Å; Q745-I751 VanDerWaalsContact NE2-O 3.12Å; W748-I751 HydrophobicContact CB-CD1 4.35Å; W748-I751 HydrophobicContact CB-CG2 4.05Å; W748-I751 WeakPolarHBondContact O-CG1 3.38Å; W748-I751 WeakPolarHBondContact O-CG2 3.3Å; W748-I751 PolarHBondContact O-N 2.69Å; P749-I751 PolarHBondContact O-N 3.41Å
752	N	86.1	Confident	87.6	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	30%	0.304	S	S	.	.			trans	-103	106.2	-177.6	-177.1	6.7	0	0	0	110.7	A754 V755	N752-A754 PolarHBondContact O-N 3.03Å; N752-A754 WeakPolarHBondContact OD1-CA 3.39Å; N752-A754 WeakPolarHBondContact OD1-CB 3.42Å; N752-A754 PolarHBondContact OD1-N 2.74Å; N752-V755 HydrophobicContact CB-CB 4.3Å; N752-V755 WeakPolarHBondContact O-CB 3.4Å; N752-V755 VanDerWaalsContact O-CG1 3.27Å; N752-V755 WeakPolarHBondContact O-CG1 3.37Å; N752-V755 PolarHBondContact O-N 3.12Å; N752-V755 VanDerWaalsContact O-N 3.16Å
753	A	79.1	Confident	86.2	Confident	34 Å²	34	57.4 Å²	57.4	28%	0.281	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17	175.7	0	0	0	0	0	114.2	L741	L741-A753 HydrophobicContact CB-CB 4.3Å
754	A	80	Confident	84.6	Confident	88 Å²	88	57 Å²	57	73%	0.727	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	12.5	176.7	0	0	0	0	0	113.4	N752	N752-A754 PolarHBondContact O-N 3.03Å; N752-A754 WeakPolarHBondContact OD1-CA 3.39Å; N752-A754 WeakPolarHBondContact OD1-CB 3.42Å; N752-A754 PolarHBondContact OD1-N 2.74Å
755	V	84	Confident	83.2	Confident	35 Å²	35	60.2 Å²	60.2	21%	0.212	32%	0.321	C	S	.	.			trans	-64.1	140.8	179.3	71.6	0	0	0	0	111.7	Y633 L741 N752 L757	Y633-V755 HydrophobicContact CD1-CB 4.42Å; Y633-V755 HydrophobicContact CD1-CG1 4Å; Y633-V755 HydrophobicContact CD1-CG2 3.68Å; Y633-V755 HydrophobicContact CE1-CG1 4.37Å; Y633-V755 HydrophobicContact CE1-CG2 3.39Å; Y633-V755 HydrophobicContact CG-CG1 4.32Å; L741-V755 HydrophobicContact CD1-CG1 3.8Å; N752-V755 HydrophobicContact CB-CB 4.3Å; N752-V755 WeakPolarHBondContact O-CB 3.4Å; N752-V755 VanDerWaalsContact O-CG1 3.27Å; N752-V755 WeakPolarHBondContact O-CG1 3.37Å; N752-V755 PolarHBondContact O-N 3.12Å; N752-V755 VanDerWaalsContact O-N 3.16Å; V755-L757 HydrophobicContact CG1-CD2 3.66Å; V755-L757 HydrophobicContact CG1-CG 4.15Å; V755-L757 PolarHBondContact O-N 3.17Å
756	D	86	Confident	81.3	Confident	92 Å²	92	62.9 Å²	62.9	49%	0.492	33%	0.334	S	S	.	.			trans	-77.7	105.3	172.8	-170.5	6.4	0	0	0	110.5	N758 T759	D756-N758 PolarHBondContact O-N 3.49Å; D756-N758 VanDerWaalsContact OD1-CB 3.31Å; D756-N758 WeakPolarHBondContact OD1-CB 3.39Å; D756-N758 PolarHBondContact OD1-N 2.8Å; D756-N758 PolarHBondContact OD1-ND2 3.07Å; D756-T759 PolarHBondContact O-OG1 3.43Å
757	L	88	Confident	79.3	Confident	2 Å²	2	61 Å²	61	1%	0.01	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4.5	178	-60.3	176.4	0	0	0	113.2	Y633 K734 L737 K738 L741 V755 T759	Y633-L757 HydrophobicContact CD1-CD2 4.5Å; Y633-L757 HydrophobicContact CD2-CD2 3.36Å; Y633-L757 HydrophobicContact CE2-CD2 3.64Å; Y633-L757 HydrophobicContact CG-CD2 3.84Å; K734-L757 HydrophobicContact CB-CB 4.47Å; K734-L757 HydrophobicContact CB-CD1 4.32Å; K734-L757 WeakPolarHBondContact CE-O 3.41Å; K734-L757 HydrophobicContact CG-CB 3.97Å; K734-L757 WeakPolarHBondContact O-CD1 3.47Å; L737-L757 HydrophobicContact CB-CD1 3.76Å; L737-L757 HydrophobicContact CD1-CD2 4.38Å; K738-L757 HydrophobicContact CG-CD1 3.74Å; L741-L757 HydrophobicContact CD1-CD2 4.46Å; V755-L757 HydrophobicContact CG1-CD2 3.66Å; V755-L757 HydrophobicContact CG1-CG 4.15Å; V755-L757 PolarHBondContact O-N 3.17Å; L757-T759 VanDerWaalsContact C-N 3.25Å
758	N	84.3	Confident	77.2	Confident	91 Å²	91	63.3 Å²	63.3	49%	0.487	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.3	172	-63.8	-54.6	0	0	0	113.4	P728 K734 D756	P728-N758 VanDerWaalsContact CB-O 3.3Å; P728-N758 WeakPolarHBondContact CB-O 3.29Å; K734-N758 VanDerWaalsContact CE-OD1 3.31Å; K734-N758 WeakPolarHBondContact CE-OD1 3.4Å; K734-N758 PolarHBondContact NZ-OD1 3.19Å; D756-N758 PolarHBondContact O-N 3.49Å; D756-N758 VanDerWaalsContact OD1-CB 3.31Å; D756-N758 WeakPolarHBondContact OD1-CB 3.39Å; D756-N758 PolarHBondContact OD1-N 2.8Å; D756-N758 PolarHBondContact OD1-ND2 3.07Å
759	T	78.7	Confident	74.3	Confident	21 Å²	21	69.3 Å²	69.3	13%	0.129	38%	0.377	C	S	.	.			trans	-73.2	127.6	-177.5	-36.5	0	0	0	0	111	R632 D756 L757 E763 C764	R632-T759 PolarHBondContact NH1-O 3.46Å; D756-T759 PolarHBondContact O-OG1 3.43Å; L757-T759 VanDerWaalsContact C-N 3.25Å; T759-E763 WeakPolarHBondContact CA-OE2 3.5Å; T759-E763 HydrophobicContact CG2-CB 3.58Å; T759-C764 WeakPolarHBondContact CG2-SG 3.38Å
760	S	76.3	Confident	71.6	Confident	7 Å²	7	72 Å²	72	5%	0.049	39%	0.385	C	S	.	.			trans	-68.9	174.6	171.5	66.8	0	0	0	0	111.7	R632 L725 S726 E763	R632-S760 PolarHBondContact NH1-O 3.25Å; L725-S760 WeakPolarHBondContact O-CB 3.48Å; S726-S760 WeakPolarHBondContact O-CB 3.36Å; S760-E763 PolarHBondContact N-OE2 3.27Å; S760-E763 WeakPolarHBondContact OG-CB 3.37Å; S760-E763 VanDerWaalsContact OG-CG 3.25Å; S760-E763 WeakPolarHBondContact OG-CG 3.48Å; S760-E763 PolarHBondContact OG-N 2.81Å; S760-E763 PolarHBondContact OG-OE2 2.93Å; S760-E763 VanDerWaalsContact OG-OE2 3.06Å
761	Q	77.7	Confident	69	Low	8 Å²	8	73.6 Å²	73.6	4%	0.037	41%	0.407	C	S	.	.	H	α-helix	trans	-69.6	-44.2	173.4	-173.6	62.4	39	0	0	110.9	L628 R632 L725 E763 C764 D765	L628-Q761 HydrophobicContact CD1-CB 4.37Å; R632-Q761 VanDerWaalsContact CZ-OE1 3.22Å; R632-Q761 VanDerWaalsContact NE-OE1 3.12Å; L725-Q761 HydrophobicContact CB-CB 4.39Å; L725-Q761 HydrophobicContact CD2-CB 3.92Å; L725-Q761 HydrophobicContact CD2-CG 3.69Å; L725-Q761 WeakPolarHBondContact O-CA 3.44Å; L725-Q761 WeakPolarHBondContact O-CB 3.31Å; L725-Q761 PolarHBondContact O-N 2.86Å; Q761-E763 PolarHBondContact O-N 3.49Å; Q761-C764 WeakPolarHBondContact O-CB 3.3Å; Q761-C764 PolarHBondContact O-N 3.07Å; Q761-D765 PolarHBondContact NE2-OD1 2.96Å; Q761-D765 PolarHBondContact O-N 3.23Å
762	N	69.9	Low	67.9	Low	47 Å²	47	77.1 Å²	77.1	25%	0.251	43%	0.427	S	S	.	.	H	α-helix	trans	-58.2	-45.9	179.3	-76	-9.8	0	0	0	112.5	L725 C764 D765 E766	L725-N762 VanDerWaalsContact CB-OD1 3.3Å; L725-N762 WeakPolarHBondContact CB-OD1 3.44Å; L725-N762 PolarHBondContact O-N 3.42Å; N762-C764 PolarHBondContact O-N 3.38Å; N762-D765 PolarHBondContact O-N 3.47Å; N762-E766 WeakPolarHBondContact O-CG 3.26Å; N762-E766 PolarHBondContact O-N 3.31Å
763	E	65.9	Low	67	Low	97 Å²	97	76.5 Å²	76.5	45%	0.453	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-25.1	177.7	-72.9	166.7	157	0	0	113	T759 S760 Q761 Q767	T759-E763 WeakPolarHBondContact CA-OE2 3.5Å; T759-E763 HydrophobicContact CG2-CB 3.58Å; S760-E763 PolarHBondContact N-OE2 3.27Å; S760-E763 WeakPolarHBondContact OG-CB 3.37Å; S760-E763 VanDerWaalsContact OG-CG 3.25Å; S760-E763 WeakPolarHBondContact OG-CG 3.48Å; S760-E763 PolarHBondContact OG-N 2.81Å; S760-E763 PolarHBondContact OG-OE2 2.93Å; S760-E763 VanDerWaalsContact OG-OE2 3.06Å; Q761-E763 PolarHBondContact O-N 3.49Å; E763-Q767 WeakPolarHBondContact O-CG 3.22Å; E763-Q767 PolarHBondContact O-N 3.28Å
764	C	63.7	Low	66.3	Low	16 Å²	16	78.9 Å²	78.9	11%	0.108	43%	0.433	C	S	.	.	H	α-helix	trans	-81.3	-39.9	174.2	-83.3	0	0	0	0	112.5	R632 T759 Q761 N762 E766 Q767 I768	R632-C764 PolarHBondContact NH1-SG 3.46Å; T759-C764 WeakPolarHBondContact CG2-SG 3.38Å; Q761-C764 WeakPolarHBondContact O-CB 3.3Å; Q761-C764 PolarHBondContact O-N 3.07Å; N762-C764 PolarHBondContact O-N 3.38Å; C764-E766 VanDerWaalsContact C-N 3.29Å; C764-E766 PolarHBondContact O-N 3.27Å; C764-Q767 WeakPolarHBondContact O-CB 3.43Å; C764-Q767 PolarHBondContact O-N 3.11Å; C764-Q767 VanDerWaalsContact O-N 3.17Å; C764-I768 PolarHBondContact O-N 3.43Å
765	D	69	Low	65.5	Low	66 Å²	66	78.4 Å²	78.4	35%	0.353	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-38.3	177.9	-64.6	-16.9	0	0	0	110.2	Q761 N762 Q767 I768 D769	Q761-D765 PolarHBondContact NE2-OD1 2.96Å; Q761-D765 PolarHBondContact O-N 3.23Å; N762-D765 PolarHBondContact O-N 3.47Å; D765-Q767 VanDerWaalsContact C-N 3.34Å; D765-Q767 PolarHBondContact O-N 3.17Å; D765-I768 PolarHBondContact O-N 2.94Å; D765-I768 VanDerWaalsContact O-N 3.16Å; D765-D769 PolarHBondContact O-N 3.34Å
766	E	56.9	Low	64.3	Low	135 Å²	135	81.1 Å²	81.1	63%	0.631	43%	0.428	S	S	*	.	H	α-helix	trans	-61.8	-36	171.8	-72.9	-178.7	179	0	0	113.1	N762 C764 I768 D769 D770	N762-E766 WeakPolarHBondContact O-CG 3.26Å; N762-E766 PolarHBondContact O-N 3.31Å; C764-E766 VanDerWaalsContact C-N 3.29Å; C764-E766 PolarHBondContact O-N 3.27Å; E766-I768 VanDerWaalsContact C-N 3.28Å; E766-I768 PolarHBondContact O-N 3.46Å; E766-D769 PolarHBondContact O-N 3.3Å; E766-D770 PolarHBondContact O-N 3.08Å
767	Q	52.6	Low	62.9	Low	122 Å²	122	80.3 Å²	80.3	57%	0.57	42%	0.424	S	S	*	.	H	α-helix	trans	-70	-22.6	176.2	-76.9	175.5	12.8	0	0	113.5	E763 C764 D765 V771	E763-Q767 WeakPolarHBondContact O-CG 3.22Å; E763-Q767 PolarHBondContact O-N 3.28Å; C764-Q767 WeakPolarHBondContact O-CB 3.43Å; C764-Q767 PolarHBondContact O-N 3.11Å; C764-Q767 VanDerWaalsContact O-N 3.17Å; D765-Q767 VanDerWaalsContact C-N 3.34Å; D765-Q767 PolarHBondContact O-N 3.17Å; Q767-V771 WeakPolarHBondContact O-CG2 3.45Å
768	I	52.5	Low	61.1	Low	114 Å²	114	85.9 Å²	85.9	59%	0.585	45%	0.453	S	S	*	.	H	α-helix	trans	-80.8	-39.6	176.3	-66.4	170.8	0	0	0	110.3	C764 D765 E766 D770 V771	C764-I768 PolarHBondContact O-N 3.43Å; D765-I768 PolarHBondContact O-N 2.94Å; D765-I768 VanDerWaalsContact O-N 3.16Å; E766-I768 VanDerWaalsContact C-N 3.28Å; E766-I768 PolarHBondContact O-N 3.46Å; I768-D770 PolarHBondContact O-N 2.9Å; I768-V771 PolarHBondContact O-N 2.81Å
769	D	38.4	Very low	59.3	Low	145 Å²	145	85.5 Å²	85.5	78%	0.775	45%	0.451	S	S	*	.	H	α-helix	trans	-67.8	-21.8	178.6	-79.5	-16.8	0	0	0	113.2	D765 E766	D765-D769 PolarHBondContact O-N 3.34Å; E766-D769 PolarHBondContact O-N 3.3Å
770	D	34.7	Very low	57.7	Low	153 Å²	153	90.9 Å²	90.9	82%	0.818	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.1	175.8	-95.4	-8.9	0	0	0	114.5	E766 I768	E766-D770 PolarHBondContact O-N 3.08Å; I768-D770 PolarHBondContact O-N 2.9Å
771	V	34.8	Very low	56	Low	181 Å²	181	98.5 Å²	98.5	100%	1.097	52%	0.516	S	S	*	.			trans	-107.8	0	-177.2	-179.4	0	0	0	0	111.8	Q767 I768	Q767-V771 WeakPolarHBondContact O-CG2 3.45Å; I768-V771 PolarHBondContact O-N 2.81Å

Retrieved 771 of 771 residues in 355.5 ms (Link to these results)

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