A0A096NVU0_PAPAN Loading...

Polypeptide N-acetylgalactosaminyltransferase

Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor.

AlphaFold DB , UniProt , Accession A0A096NVU0, Species PAPAN (Papio anubis, Olive baboon), Gene GALNT16, Length 558 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.7	Low	61.9	Low	197 Å²	197	129.5 Å²	129.5	97%	0.97	64%	0.642	S	S	*	*				0	-32	0	-80.7	-172.8	-88.2	0	0	115.9
2	R	48.1	Very low	63	Low	236 Å²	236	128.9 Å²	128.9	89%	0.891	64%	0.641	S	S	*	*	H	α-helix	trans	-69.9	-37.2	178.4	-77.7	-179.6	175.8	172.3	-1.2	115.1	I4 R5 A6	R2-I4 PolarHBondContact O-N 2.66Å; R2-R5 PolarHBondContact O-N 3.07Å; R2-A6 PolarHBondContact O-N 3.17Å
3	K	48.6	Very low	64.4	Low	181 Å²	181	124.5 Å²	124.5	79%	0.787	63%	0.626	S	S	*	*	H	α-helix	trans	-67.1	-31.8	178.8	-78	-178	173.9	-178.7	0	114.1	N7	K3-N7 PolarHBondContact O-N 2.73Å
4	I	57.8	Low	66.1	Low	128 Å²	128	121.5 Å²	121.5	66%	0.656	62%	0.617	S	S	*	*	H	α-helix	trans	-72	-35.8	179.8	-60.4	171.6	0	0	0	111	R2 A8	R2-I4 PolarHBondContact O-N 2.66Å; I4-A8 PolarHBondContact O-N 3.38Å
5	R	56.6	Low	67.1	Low	189 Å²	189	117.3 Å²	117.3	71%	0.713	61%	0.608	S	S	*	*	H	α-helix	trans	-70.1	-35.2	176.6	-71	-175.4	176.1	176.9	-1.1	112.8	R2 I9	R2-R5 PolarHBondContact O-N 3.07Å; R5-I9 WeakPolarHBondContact O-CG1 3.48Å; R5-I9 PolarHBondContact O-N 3.36Å
6	A	60	Low	67.8	Low	57 Å²	57	121.6 Å²	121.6	47%	0.471	61%	0.614	S	S	.	*	H	α-helix	trans	-66.5	-41.1	176.4	0	0	0	0	0	112.2	R2 I9 A10	R2-A6 PolarHBondContact O-N 3.17Å; A6-I9 PolarHBondContact O-N 2.92Å; A6-A10 PolarHBondContact O-N 2.65Å
7	N	61.1	Low	68.9	Low	110 Å²	110	119.4 Å²	119.4	59%	0.588	60%	0.603	S	S	*	*	H	α-helix	trans	-68.3	-35.8	178.4	-69.2	-0.8	0	0	0	112.3	K3 A10 I11	K3-N7 PolarHBondContact O-N 2.73Å; N7-A10 PolarHBondContact O-N 2.92Å; N7-I11 WeakPolarHBondContact O-CD1 3.15Å; N7-I11 VanDerWaalsContact O-CG1 3.27Å; N7-I11 WeakPolarHBondContact O-CG1 3.34Å; N7-I11 PolarHBondContact O-N 2.96Å
8	A	65.7	Low	69.7	Low	48 Å²	48	119 Å²	119	40%	0.397	60%	0.602	S	S	.	*	H	α-helix	trans	-66	-39.3	175.7	0	0	0	0	0	112.5	I4 I11 L12	I4-A8 PolarHBondContact O-N 3.38Å; A8-I11 PolarHBondContact O-N 3.44Å; A8-L12 WeakPolarHBondContact O-CG 3.35Å; A8-L12 PolarHBondContact O-N 3.37Å; A8-L12 VanDerWaalsContact O-N 3.09Å
9	I	73.9	Confident	70.2	Confident	110 Å²	110	114.9 Å²	114.9	56%	0.564	59%	0.593	S	S	*	*	H	α-helix	trans	-67.3	-41.7	176.7	-66.4	167.2	0	0	0	110.5	R5 A6 I11 L12 T13	R5-I9 WeakPolarHBondContact O-CG1 3.48Å; R5-I9 PolarHBondContact O-N 3.36Å; A6-I9 PolarHBondContact O-N 2.92Å; I9-I11 VanDerWaalsContact C-N 3.35Å; I9-I11 PolarHBondContact O-N 2.77Å; I9-L12 PolarHBondContact O-N 3.36Å; I9-T13 HydrophobicContact CG2-CG2 4.46Å; I9-T13 WeakPolarHBondContact O-CG2 2.89Å; I9-T13 PolarHBondContact O-N 3.06Å; I9-T13 PolarHBondContact O-OG1 2.86Å; I9-T13 VanDerWaalsContact O-OG1 3.11Å
10	A	76.1	Confident	70.5	Confident	49 Å²	49	111.6 Å²	111.6	41%	0.405	58%	0.578	S	S	.	*	H	α-helix	trans	-63.8	-37.6	177.4	0	0	0	0	0	112.9	A6 N7 T13 V14	A6-A10 PolarHBondContact O-N 2.65Å; N7-A10 PolarHBondContact O-N 2.92Å; A10-T13 WeakPolarHBondContact CA-OG1 3.22Å; A10-T13 PolarHBondContact O-OG1 2.54Å; A10-V14 VanDerWaalsContact O-CG2 3.25Å; A10-V14 WeakPolarHBondContact O-CG2 3.31Å; A10-V14 PolarHBondContact O-N 3.15Å; A10-V14 VanDerWaalsContact O-N 3.1Å
11	I	82.3	Confident	70.8	Confident	120 Å²	120	113.4 Å²	113.4	62%	0.615	58%	0.582	S	S	*	*	H	α-helix	trans	-69.2	-41	176.8	-68.3	165.9	0	0	0	110.7	N7 A8 I9 V14 A15	N7-I11 WeakPolarHBondContact O-CD1 3.15Å; N7-I11 VanDerWaalsContact O-CG1 3.27Å; N7-I11 WeakPolarHBondContact O-CG1 3.34Å; N7-I11 PolarHBondContact O-N 2.96Å; A8-I11 PolarHBondContact O-N 3.44Å; I9-I11 VanDerWaalsContact C-N 3.35Å; I9-I11 PolarHBondContact O-N 2.77Å; I11-V14 PolarHBondContact O-N 3.14Å; I11-A15 WeakPolarHBondContact O-CB 3.02Å; I11-A15 PolarHBondContact O-N 2.95Å
12	L	74.7	Confident	72	Confident	122 Å²	122	110.5 Å²	110.5	64%	0.639	56%	0.561	S	S	*	*	H	α-helix	trans	-67.3	-37.1	178.2	-74.1	168.7	0	0	0	112.4	A8 I9 W16	A8-L12 WeakPolarHBondContact O-CG 3.35Å; A8-L12 PolarHBondContact O-N 3.37Å; A8-L12 VanDerWaalsContact O-N 3.09Å; I9-L12 PolarHBondContact O-N 3.36Å; L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.18Å
13	T	81.9	Confident	73	Confident	71 Å²	71	107 Å²	107	44%	0.436	55%	0.549	S	S	.	.	H	α-helix	trans	-69	-41.2	175.7	50.6	0	0	0	0	111.7	I9 A10 W16 I17	I9-T13 HydrophobicContact CG2-CG2 4.46Å; I9-T13 WeakPolarHBondContact O-CG2 2.89Å; I9-T13 PolarHBondContact O-N 3.06Å; I9-T13 PolarHBondContact O-OG1 2.86Å; I9-T13 VanDerWaalsContact O-OG1 3.11Å; A10-T13 WeakPolarHBondContact CA-OG1 3.22Å; A10-T13 PolarHBondContact O-OG1 2.54Å; T13-W16 PolarHBondContact O-N 3.09Å; T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.48Å; T13-I17 PolarHBondContact O-N 2.76Å
14	V	87.7	Confident	73.9	Confident	83 Å²	83	103.8 Å²	103.8	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-64.1	-42.6	175	172.6	0	0	0	0	111.2	A10 I11 W16 I17 L18	A10-V14 VanDerWaalsContact O-CG2 3.25Å; A10-V14 WeakPolarHBondContact O-CG2 3.31Å; A10-V14 PolarHBondContact O-N 3.15Å; A10-V14 VanDerWaalsContact O-N 3.1Å; I11-V14 PolarHBondContact O-N 3.14Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 3.2Å; V14-I17 PolarHBondContact O-N 3.34Å; V14-L18 HydrophobicContact CG1-CD1 3.91Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 WeakPolarHBondContact O-CG 3.28Å; V14-L18 PolarHBondContact O-N 3.21Å
15	A	81.9	Confident	74.4	Confident	58 Å²	58	104.5 Å²	104.5	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-38.6	176	0	0	0	0	0	112.4	I11 G19	I11-A15 WeakPolarHBondContact O-CB 3.02Å; I11-A15 PolarHBondContact O-N 2.95Å; A15-G19 PolarHBondContact O-N 3.3Å
16	W	77.4	Confident	74.6	Confident	186 Å²	186	100.1 Å²	100.1	71%	0.705	52%	0.522	S	S	*	.	H	α-helix	trans	-69.1	-40.2	177.1	-170.5	81.3	0	0	0	112.6	L12 T13 V14 G19 T20	L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.18Å; T13-W16 PolarHBondContact O-N 3.09Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 3.2Å; W16-G19 PolarHBondContact O-N 3.2Å; W16-T20 HydrophobicContact CD2-CG2 4.46Å; W16-T20 HydrophobicContact CH2-CG2 4.43Å; W16-T20 HydrophobicContact CZ2-CG2 4.21Å; W16-T20 PolarHBondContact O-N 2.94Å; W16-T20 PolarHBondContact O-OG1 3.4Å
17	I	87.6	Confident	74.6	Confident	85 Å²	85	101.5 Å²	101.5	44%	0.436	52%	0.522	S	S	.	.	H	α-helix	trans	-65	-42.8	175	-67.6	166.4	0	0	0	110.9	T13 V14 T20 F21	T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.48Å; T13-I17 PolarHBondContact O-N 2.76Å; V14-I17 PolarHBondContact O-N 3.34Å; I17-T20 WeakPolarHBondContact CA-OG1 3.28Å; I17-T20 PolarHBondContact O-N 2.77Å; I17-T20 PolarHBondContact O-OG1 2.78Å; I17-F21 HydrophobicContact CG2-CD2 4.18Å; I17-F21 PolarHBondContact O-N 2.83Å
18	L	83.3	Confident	74	Confident	112 Å²	112	102 Å²	102	59%	0.586	52%	0.524	S	S	*	.	H	α-helix	trans	-67.4	-39.3	177.2	-70.6	172.8	0	0	0	111.9	V14 F21 Y22	V14-L18 HydrophobicContact CG1-CD1 3.91Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 WeakPolarHBondContact O-CG 3.28Å; V14-L18 PolarHBondContact O-N 3.21Å; L18-F21 PolarHBondContact O-N 2.87Å; L18-Y22 WeakPolarHBondContact O-CB 3.2Å; L18-Y22 PolarHBondContact O-N 3.47Å
19	G	79.1	Confident	73.1	Confident	41 Å²	41	107.9 Å²	107.9	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-39.5	175.4	0	0	0	0	0	113.1	A15 W16 Y22 Y23	A15-G19 PolarHBondContact O-N 3.3Å; W16-G19 PolarHBondContact O-N 3.2Å; G19-Y22 PolarHBondContact O-N 3Å; G19-Y23 WeakPolarHBondContact O-CB 3.48Å; G19-Y23 PolarHBondContact O-N 2.95Å
20	T	75.9	Confident	71.8	Confident	49 Å²	49	105.6 Å²	105.6	30%	0.301	53%	0.533	S	S	.	.	H	α-helix	trans	-69.9	-39.9	175.7	38.3	0	0	0	0	112.2	W16 I17 Y23 L24	W16-T20 HydrophobicContact CD2-CG2 4.46Å; W16-T20 HydrophobicContact CH2-CG2 4.43Å; W16-T20 HydrophobicContact CZ2-CG2 4.21Å; W16-T20 PolarHBondContact O-N 2.94Å; W16-T20 PolarHBondContact O-OG1 3.4Å; I17-T20 WeakPolarHBondContact CA-OG1 3.28Å; I17-T20 PolarHBondContact O-N 2.77Å; I17-T20 PolarHBondContact O-OG1 2.78Å; T20-Y23 PolarHBondContact O-N 3.42Å; T20-L24 WeakPolarHBondContact O-CB 3.45Å; T20-L24 WeakPolarHBondContact O-CG 3.34Å; T20-L24 PolarHBondContact O-N 2.97Å
21	F	77.4	Confident	70.4	Confident	149 Å²	149	109.3 Å²	109.3	65%	0.654	54%	0.542	S	S	*	.	H	α-helix	trans	-63.2	-41.6	173	-103.8	-85	0	0	0	112.6	I17 L18 L24 W25	I17-F21 HydrophobicContact CG2-CD2 4.18Å; I17-F21 PolarHBondContact O-N 2.83Å; L18-F21 PolarHBondContact O-N 2.87Å; F21-L24 PolarHBondContact O-N 3.42Å; F21-W25 VanDerWaalsContact O-CB 3.27Å; F21-W25 WeakPolarHBondContact O-CB 3.3Å; F21-W25 PolarHBondContact O-N 2.86Å
22	Y	74.9	Confident	68.3	Low	136 Å²	136	107.3 Å²	107.3	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-63.6	-41.7	175.9	-178.8	-98.8	0	0	0	112	L18 G19 W25 Q26	L18-Y22 WeakPolarHBondContact O-CB 3.2Å; L18-Y22 PolarHBondContact O-N 3.47Å; G19-Y22 PolarHBondContact O-N 3Å; Y22-W25 PolarHBondContact O-N 2.72Å; Y22-Q26 HydrophobicContact CE1-CG 4.23Å; Y22-Q26 PolarHBondContact O-N 3.02Å; Y22-Q26 PolarHBondContact OH-NE2 3.05Å; Y22-Q26 VanDerWaalsContact OH-NE2 3.08Å
23	Y	69.1	Low	66.6	Low	164 Å²	164	105.9 Å²	105.9	64%	0.643	55%	0.549	S	S	*	.	H	α-helix	trans	-64.2	-46.1	177.3	-163.4	-88.9	0	0	0	111.9	G19 T20 W25 Q26 D27	G19-Y23 WeakPolarHBondContact O-CB 3.48Å; G19-Y23 PolarHBondContact O-N 2.95Å; T20-Y23 PolarHBondContact O-N 3.42Å; Y23-W25 VanDerWaalsContact C-N 3.31Å; Y23-W25 PolarHBondContact O-N 3.28Å; Y23-Q26 PolarHBondContact O-N 2.04Å; Y23-D27 PolarHBondContact O-N 3.12Å; Y23-D27 VanDerWaalsContact O-N 3.11Å
24	L	67.7	Low	64.6	Low	113 Å²	113	107.1 Å²	107.1	59%	0.592	56%	0.561	S	S	*	*	H	α-helix	trans	-64.5	-34.4	175.8	-71.9	168.7	0	0	0	112.5	T20 F21 N28	T20-L24 WeakPolarHBondContact O-CB 3.45Å; T20-L24 WeakPolarHBondContact O-CG 3.34Å; T20-L24 PolarHBondContact O-N 2.97Å; F21-L24 PolarHBondContact O-N 3.42Å; L24-N28 PolarHBondContact O-N 3.49Å
25	W	68.7	Low	62	Low	143 Å²	143	108.4 Å²	108.4	54%	0.542	57%	0.573	S	S	.	*	H	α-helix	trans	-69.7	-38	176.2	-177	79.6	0	0	0	112.8	F21 Y22 Y23 R29	F21-W25 VanDerWaalsContact O-CB 3.27Å; F21-W25 WeakPolarHBondContact O-CB 3.3Å; F21-W25 PolarHBondContact O-N 2.86Å; Y22-W25 PolarHBondContact O-N 2.72Å; Y23-W25 VanDerWaalsContact C-N 3.31Å; Y23-W25 PolarHBondContact O-N 3.28Å; W25-R29 PolarHBondContact O-N 3.43Å
26	Q	61	Low	59.5	Low	97 Å²	97	109.5 Å²	109.5	45%	0.453	59%	0.59	S	S	.	*	H	α-helix	trans	-65.1	-41.5	173	-88	-166.9	-18.6	0	0	112.5	Y22 Y23 N28 R29 A30	Y22-Q26 HydrophobicContact CE1-CG 4.23Å; Y22-Q26 PolarHBondContact O-N 3.02Å; Y22-Q26 PolarHBondContact OH-NE2 3.05Å; Y22-Q26 VanDerWaalsContact OH-NE2 3.08Å; Y23-Q26 PolarHBondContact O-N 2.04Å; Q26-N28 VanDerWaalsContact C-N 3.32Å; Q26-N28 PolarHBondContact O-N 3.25Å; Q26-R29 WeakPolarHBondContact O-CB 3.47Å; Q26-R29 PolarHBondContact O-N 2.78Å; Q26-R29 VanDerWaalsContact O-N 3.14Å; Q26-A30 PolarHBondContact O-N 3.2Å
27	D	59.1	Low	57.2	Low	86 Å²	86	104.7 Å²	104.7	46%	0.46	60%	0.599	S	S	.	*	H	α-helix	trans	-64.2	-39.1	-178.6	-147.9	26.7	0	0	0	111.4	Y23 R29 A30 H31	Y23-D27 PolarHBondContact O-N 3.12Å; Y23-D27 VanDerWaalsContact O-N 3.11Å; D27-R29 VanDerWaalsContact C-N 3.28Å; D27-R29 PolarHBondContact O-N 2.8Å; D27-A30 PolarHBondContact O-N 3.33Å; D27-H31 PolarHBondContact O-N 2.93Å
28	N	49.1	Very low	54.6	Low	120 Å²	120	113.1 Å²	113.1	64%	0.642	63%	0.625	S	S	*	*	H	α-helix	trans	-66.6	-28.4	175.9	-120.7	-2.4	0	0	0	113.3	L24 Q26 A32	L24-N28 PolarHBondContact O-N 3.49Å; Q26-N28 VanDerWaalsContact C-N 3.32Å; Q26-N28 PolarHBondContact O-N 3.25Å; N28-A32 PolarHBondContact O-N 2.83Å
29	R	46.8	Very low	51.9	Low	172 Å²	172	111.7 Å²	111.7	65%	0.649	64%	0.637	S	S	*	*	H	α-helix	trans	-72.8	-30.1	175.4	-119	-177.5	172.4	-172	-1.9	112.5	W25 Q26 D27 H31	W25-R29 PolarHBondContact O-N 3.43Å; Q26-R29 WeakPolarHBondContact O-CB 3.47Å; Q26-R29 PolarHBondContact O-N 2.78Å; Q26-R29 VanDerWaalsContact O-N 3.14Å; D27-R29 VanDerWaalsContact C-N 3.28Å; D27-R29 PolarHBondContact O-N 2.8Å; R29-H31 VanDerWaalsContact C-N 3.34Å
30	A	47.2	Very low	49.5	Very low	61 Å²	61	114.6 Å²	114.6	50%	0.504	66%	0.657	S	S	.	*	H	α-helix	trans	-70.8	-29.8	176.3	0	0	0	0	0	112.5	Q26 D27	Q26-A30 PolarHBondContact O-N 3.2Å; D27-A30 PolarHBondContact O-N 3.33Å
31	H	45.8	Very low	47.3	Very low	127 Å²	127	121.9 Å²	121.9	59%	0.588	69%	0.688	S	S	*	*	H	α-helix	trans	-79.9	-27.2	178.4	-71.2	-26.6	0	0	0	114.4	D27 R29 A33	D27-H31 PolarHBondContact O-N 2.93Å; R29-H31 VanDerWaalsContact C-N 3.34Å; H31-A33 VanDerWaalsContact C-N 3.29Å; H31-A33 PolarHBondContact O-N 3.34Å
32	A	37.5	Very low	45	Very low	78 Å²	78	126.9 Å²	126.9	65%	0.645	70%	0.702	S	S	*	*	H	α-helix	trans	-72.1	-19.7	177.6	0	0	0	0	0	113.9	N28	N28-A32 PolarHBondContact O-N 2.83Å
33	A	39.2	Very low	42.8	Very low	92 Å²	92	125.4 Å²	125.4	76%	0.76	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	0.2	-174.1	0	0	0	0	0	115.4	H31	H31-A33 VanDerWaalsContact C-N 3.29Å; H31-A33 PolarHBondContact O-N 3.34Å
34	S	39.7	Very low	40.9	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	72%	0.724	S	S	*	*	S	Bend	trans	-120.3	10.7	-172.4	67.5	0	0	0	0	116.2
35	S	34.5	Very low	39.1	Very low	109 Å²	109	128 Å²	128	76%	0.762	74%	0.742	S	S	*	*			trans	-114.4	82.8	177.5	60.3	0	0	0	0	112.7
36	G	29.1	Very low	37.2	Very low	81 Å²	81	124.3 Å²	124.3	84%	0.835	75%	0.749	S	S	*	*			trans	-157.4	103.3	169.4	0	0	0	0	0	112
37	G	28.6	Very low	35.7	Very low	85 Å²	85	126.2 Å²	126.2	88%	0.876	77%	0.769	S	S	*	*			trans	125.7	91.4	161.5	0	0	0	0	0	116.2
38	R	32.7	Very low	34.2	Very low	263 Å²	263	131.4 Å²	131.4	99%	0.992	79%	0.791	S	S	*	*			trans	-91.1	139.3	158.1	-83.7	-178.9	174	179.5	-0.5	109.4
39	G	27	Very low	33.2	Very low	82 Å²	82	134.5 Å²	134.5	85%	0.845	80%	0.802	S	S	*	*			trans	-155.9	109.6	161	0	0	0	0	0	109.6
40	A	29.6	Very low	32.5	Very low	101 Å²	101	135.1 Å²	135.1	84%	0.835	82%	0.817	S	S	*	*			trans	-82.9	151.4	-171.4	0	0	0	0	0	113.1
41	Q	28.1	Very low	31.5	Very low	202 Å²	202	143.7 Å²	143.7	94%	0.944	84%	0.836	S	S	*	*			trans	-156.5	130.1	139.8	-109.6	172.5	17	0	0	111.5
42	R	30.1	Very low	31.1	Very low	254 Å²	254	146 Å²	146	96%	0.958	85%	0.847	S	S	*	*			trans	-85.7	136.2	175.2	-94.9	174	164.8	177.7	-4.4	109.6
43	A	28.3	Very low	30.8	Very low	105 Å²	105	148.7 Å²	148.7	87%	0.868	85%	0.851	S	S	*	*			trans	-152.1	128.2	148.9	0	0	0	0	0	109.1
44	G	29.5	Very low	30.6	Very low	75 Å²	75	155.1 Å²	155.1	77%	0.773	86%	0.855	S	S	*	*			trans	-87.6	159.4	178.9	0	0	0	0	0	113.2
45	R	29.5	Very low	30.5	Very low	257 Å²	257	154.8 Å²	154.8	97%	0.97	85%	0.849	S	S	*	*			trans	-164.8	149.2	153.8	-106.5	167.9	-171.4	-166.8	2.1	110.2
46	G	28	Very low	30.9	Very low	66 Å²	66	157.1 Å²	157.1	68%	0.68	85%	0.852	S	S	*	*			trans	-76.5	-163.5	-165.2	0	0	0	0	0	116.9
47	P	29.9	Very low	31.9	Very low	136 Å²	136	155.9 Å²	155.9	88%	0.883	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.4	122.2	-157.8	31.6	-32.7	0	0	0	112.3
48	E	28	Very low	33.6	Very low	196 Å²	196	158.5 Å²	158.5	92%	0.916	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-93.7	120.1	178.1	-152.3	166.9	-166.3	0	0	110.3
49	Q	27.7	Very low	35.4	Very low	185 Å²	185	149 Å²	149	86%	0.864	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-64.2	137.5	177.7	-78.5	167.2	-42.9	0	0	111.4	R51	Q49-R51 PolarHBondContact O-N 3.34Å; Q49-R51 VanDerWaalsContact O-N 3.13Å
50	L	32.5	Very low	37.7	Very low	185 Å²	185	147.4 Å²	147.4	97%	0.969	76%	0.764	S	S	*	*			trans	-56.2	110.9	169.4	-85.9	128.4	0	0	0	110.9
51	R	27.3	Very low	39.5	Very low	241 Å²	241	147 Å²	147	91%	0.909	75%	0.751	S	S	*	*			trans	-99.7	111.1	166.3	-146.3	176.7	-173.5	-172.6	0.8	107.8	Q49 D53	Q49-R51 PolarHBondContact O-N 3.34Å; Q49-R51 VanDerWaalsContact O-N 3.13Å; R51-D53 PolarHBondContact O-N 3.17Å; R51-D53 VanDerWaalsContact O-N 3.12Å
52	E	36.4	Very low	40.9	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	72%	0.721	S	S	*	*			trans	-62.2	105.1	168.3	-101.9	178.4	166.4	0	0	108.8	R54	E52-R54 PolarHBondContact O-N 3.3Å
53	D	30.5	Very low	41.9	Very low	134 Å²	134	132 Å²	132	72%	0.717	71%	0.708	S	S	*	*			trans	-81.5	104	172.2	-165.8	20	0	0	0	109.1	R51 T55	R51-D53 PolarHBondContact O-N 3.17Å; R51-D53 VanDerWaalsContact O-N 3.12Å; D53-T55 PolarHBondContact O-N 3.39Å; D53-T55 VanDerWaalsContact O-N 3.08Å
54	R	36.3	Very low	43.1	Very low	226 Å²	226	132.8 Å²	132.8	85%	0.853	70%	0.704	S	S	*	*			trans	-79.8	72.6	171.5	-73.9	-178.2	174.8	-179	-1.2	109	E52 I56	E52-R54 PolarHBondContact O-N 3.3Å; R54-I56 PolarHBondContact O-N 3.16Å
55	T	37.8	Very low	44	Very low	92 Å²	92	134.1 Å²	134.1	56%	0.564	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-74.9	118	165.7	17.5	0	0	0	0	108.9	D53	D53-T55 PolarHBondContact O-N 3.39Å; D53-T55 VanDerWaalsContact O-N 3.08Å
56	I	42.6	Very low	45.4	Very low	158 Å²	158	129.4 Å²	129.4	81%	0.81	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-58.5	126.3	173.6	-62.8	171.8	0	0	0	107.5	R54 L58	R54-I56 PolarHBondContact O-N 3.16Å; I56-L58 PolarHBondContact O-N 2.88Å; I56-L58 VanDerWaalsContact O-N 3.14Å
57	P	50.7	Low	47.7	Very low	55 Å²	55	129.4 Å²	129.4	36%	0.357	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-62.1	120.3	-178.9	-4.4	11	0	0	0	110.2	I59 L183 V201	P57-I59 VanDerWaalsContact C-N 3.33Å; P57-I59 PolarHBondContact O-N 2.77Å; P57-L183 HydrophobicContact CB-CD1 3.87Å; P57-V201 HydrophobicContact CG-CG1 4.37Å
58	L	63.6	Low	50.7	Low	139 Å²	139	125 Å²	125	73%	0.728	66%	0.656	S	S	*	*			trans	-71.8	88.5	173.4	-162	90.3	0	0	0	109	I56 V60	I56-L58 PolarHBondContact O-N 2.88Å; I56-L58 VanDerWaalsContact O-N 3.14Å; L58-V60 HydrophobicContact CD2-CG2 4.1Å; L58-V60 HydrophobicContact CG-CG2 4.43Å
59	I	69.3	Low	53.9	Low	65 Å²	65	120.2 Å²	120.2	33%	0.333	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.2	115.6	170.3	-60.9	171.4	0	0	0	107.3	P57 T61 K181 L183 V201	P57-I59 VanDerWaalsContact C-N 3.33Å; P57-I59 PolarHBondContact O-N 2.77Å; I59-T61 HydrophobicContact CG2-CG2 4.3Å; I59-K181 HydrophobicContact CG2-CB 4.23Å; I59-K181 HydrophobicContact CG2-CD 4.09Å; I59-L183 HydrophobicContact CG1-CD1 4.05Å; I59-V201 HydrophobicContact CD1-CB 3.79Å; I59-V201 HydrophobicContact CD1-CG1 3.91Å; I59-V201 HydrophobicContact CD1-CG2 4.23Å
60	V	76.5	Confident	57	Low	48 Å²	48	113.9 Å²	113.9	29%	0.291	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	117.9	176	-176.3	0	0	0	0	108.8	L58 L172 T175 C182	L58-V60 HydrophobicContact CD2-CG2 4.1Å; L58-V60 HydrophobicContact CG-CG2 4.43Å; V60-L172 HydrophobicContact CB-CD2 4.04Å; V60-L172 HydrophobicContact CG1-CD2 4.14Å; V60-L172 HydrophobicContact CG2-CD2 3.86Å; V60-T175 HydrophobicContact CG1-CG2 4.45Å; V60-T175 WeakPolarHBondContact O-CG2 3.33Å; V60-C182 PolarHBondContact N-O 3.01Å; V60-C182 VanDerWaalsContact N-O 3.11Å; V60-C182 PolarHBondContact O-N 3.13Å
61	T	67.6	Low	60	Low	92 Å²	92	113.1 Å²	113.1	56%	0.564	60%	0.595	S	S	*	*			trans	-107.8	122.9	170.1	55.1	0	0	0	0	108.8	I59 K181	I59-T61 HydrophobicContact CG2-CG2 4.3Å; T61-K181 HydrophobicContact CG2-CD 4.35Å; T61-K181 HydrophobicContact CG2-CG 4.24Å
62	G	57.7	Low	63.3	Low	31 Å²	31	103.8 Å²	103.8	32%	0.32	57%	0.57	S	S	.	*			trans	-73.6	141.6	177.8	0	0	0	0	0	112.2
63	T	50.3	Low	66.1	Low	110 Å²	110	95.6 Å²	95.6	68%	0.675	53%	0.532	S	S	*	.			trans	-78.5	128	165	47.3	0	0	0	0	109.5	S65	T63-S65 PolarHBondContact O-N 3.42Å
64	P	53.5	Low	69.3	Low	122 Å²	122	90.7 Å²	90.7	79%	0.792	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	32.6	-174.5	29.2	-34	0	0	0	114.6
65	S	48.1	Very low	72.1	Confident	103 Å²	103	82.9 Å²	82.9	72%	0.72	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.8	-175.4	76.7	0	0	0	0	114.3	T63	T63-S65 PolarHBondContact O-N 3.42Å
66	K	59.6	Low	74.8	Confident	157 Å²	157	81.8 Å²	81.8	68%	0.683	49%	0.486	S	S	*	.	S	Bend	trans	-135	127.5	169.7	-72.3	-175.4	177.4	179.9	0	109.1
67	G	76.3	Confident	77.2	Confident	67 Å²	67	77.4 Å²	77.4	69%	0.691	46%	0.461	S	S	*	.			trans	-56.9	155.4	177.3	0	0	0	0	0	112.8	D69	G67-D69 PolarHBondContact O-N 2.82Å
68	F	92.3	Very high	79.1	Confident	44 Å²	44	80.3 Å²	80.3	19%	0.193	47%	0.469	C	S	.	.			trans	-69.7	119.3	174.2	175.1	-107	0	0	0	110.4	E70 Y73 L140 L173 L174 R176 I177	F68-E70 HydrophobicContact CD1-CB 4.27Å; F68-E70 HydrophobicContact CE1-CB 3.97Å; F68-E70 PolarHBondContact O-N 2.79Å; F68-Y73 HydrophobicContact CE2-CD2 4.1Å; F68-Y73 AromaticContact CE2-CG 3.95Å; F68-Y73 HydrophobicContact CE2-CG 3.95Å; F68-Y73 AromaticContact CZ-CD1 3.78Å; F68-Y73 HydrophobicContact CZ-CD1 3.78Å; F68-Y73 HydrophobicContact CZ-CD2 4.14Å; F68-Y73 HydrophobicContact CZ-CE1 4.48Å; F68-Y73 AromaticContact CZ-CG 3.57Å; F68-Y73 HydrophobicContact CZ-CG 3.57Å; F68-L140 HydrophobicContact CE1-CD1 3.6Å; F68-L140 HydrophobicContact CE1-CD2 3.89Å; F68-L140 HydrophobicContact CE1-CG 4.42Å; F68-L140 HydrophobicContact CZ-CD1 3.92Å; F68-L140 HydrophobicContact CZ-CD2 4.22Å; F68-L173 WeakPolarHBondContact CD2-O 3.16Å; F68-L173 HydrophobicContact CE2-CB 4.48Å; F68-L174 HydrophobicContact CE1-CD2 4.44Å; F68-L174 HydrophobicContact CE2-CD2 3.76Å; F68-L174 HydrophobicContact CZ-CD2 3.59Å; F68-R176 HydrophobicContact CB-CB 4.12Å; F68-R176 HydrophobicContact CD2-CB 4.42Å; F68-I177 HydrophobicContact CB-CG1 3.81Å; F68-I177 HydrophobicContact CD1-CD1 3.86Å; F68-I177 HydrophobicContact CD1-CG1 3.85Å; F68-I177 HydrophobicContact CD2-CD1 4.35Å; F68-I177 HydrophobicContact CD2-CG1 4.03Å; F68-I177 HydrophobicContact CE1-CD1 3.97Å; F68-I177 HydrophobicContact CE1-CG1 4.44Å; F68-I177 HydrophobicContact CE2-CD1 4.46Å; F68-I177 HydrophobicContact CG-CD1 4.05Å; F68-I177 HydrophobicContact CG-CG1 3.62Å; F68-I177 HydrophobicContact CZ-CD1 4.27Å
69	D	94.8	Very high	80.5	Confident	95 Å²	95	75 Å²	75	51%	0.508	44%	0.442	S	S	.	.			trans	-86.3	93.4	175.6	-173.3	-19.1	0	0	0	110	G67 K71 A72 Y73	G67-D69 PolarHBondContact O-N 2.82Å; D69-K71 VanDerWaalsContact C-N 3.33Å; D69-K71 PolarHBondContact O-N 2.86Å; D69-K71 PolarHBondContact OD1-N 3.39Å; D69-K71 VanDerWaalsContact OD1-N 3.14Å; D69-A72 HydrophobicContact CB-CB 3.95Å; D69-A72 PolarHBondContact O-N 2.91Å; D69-A72 PolarHBondContact OD1-N 2.92Å; D69-A72 WeakPolarHBondContact OD2-CB 3.49Å; D69-Y73 WeakPolarHBondContact O-CB 3.46Å; D69-Y73 PolarHBondContact O-N 2.98Å
70	E	94.6	Very high	81.5	Confident	51 Å²	51	79 Å²	79	24%	0.238	46%	0.457	C	S	.	.	H	α-helix	trans	-60.3	-40.7	179.9	174.2	168.6	135.7	0	0	112.8	F68 Y73 L74 P101 L140 K144	F68-E70 HydrophobicContact CD1-CB 4.27Å; F68-E70 HydrophobicContact CE1-CB 3.97Å; F68-E70 PolarHBondContact O-N 2.79Å; E70-Y73 PolarHBondContact O-N 3.04Å; E70-L74 HydrophobicContact CG-CD1 3.97Å; E70-L74 HydrophobicContact CG-CG 4.49Å; E70-L74 WeakPolarHBondContact O-CG 3.1Å; E70-L74 PolarHBondContact O-N 2.96Å; E70-P101 HydrophobicContact CG-CG 4.28Å; E70-P101 WeakPolarHBondContact OE1-CD 3.48Å; E70-P101 VanDerWaalsContact OE1-CG 3.25Å; E70-P101 WeakPolarHBondContact OE1-CG 3.36Å; E70-L140 HydrophobicContact CG-CD2 3.77Å; E70-K144 IonicContact OE2-NZ 3.64Å; E70-K144 PolarHBondContact OE2-NZ 2.98Å
71	K	94.9	Very high	82.2	Confident	169 Å²	169	82 Å²	82	74%	0.735	49%	0.486	S	S	*	.	H	α-helix	trans	-68	-45.2	-177.2	-173.6	179.1	179.1	-177.9	0	110.3	D69 S75	D69-K71 VanDerWaalsContact C-N 3.33Å; D69-K71 PolarHBondContact O-N 2.86Å; D69-K71 PolarHBondContact OD1-N 3.39Å; D69-K71 VanDerWaalsContact OD1-N 3.14Å; K71-S75 VanDerWaalsContact O-CB 3.24Å; K71-S75 WeakPolarHBondContact O-CB 3.4Å; K71-S75 PolarHBondContact O-N 2.85Å; K71-S75 PolarHBondContact O-OG 3.39Å
72	A	95.8	Very high	83.4	Confident	46 Å²	46	81.8 Å²	81.8	38%	0.38	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-43.2	174.5	0	0	0	0	0	112	D69 L74 S75 A76	D69-A72 HydrophobicContact CB-CB 3.95Å; D69-A72 PolarHBondContact O-N 2.91Å; D69-A72 PolarHBondContact OD1-N 2.92Å; D69-A72 WeakPolarHBondContact OD2-CB 3.49Å; A72-L74 PolarHBondContact O-N 2.83Å; A72-S75 PolarHBondContact O-OG 2.97Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.4Å
73	Y	96.6	Very high	85.2	Confident	3 Å²	3	83.4 Å²	83.4	1%	0.012	50%	0.502	C	S	.	.	H	α-helix	trans	-59.1	-48.4	178.2	-179.9	-103.4	0	0	0	112.3	F68 D69 E70 R136 L140 D170 L173 L174	F68-Y73 HydrophobicContact CE2-CD2 4.1Å; F68-Y73 AromaticContact CE2-CG 3.95Å; F68-Y73 HydrophobicContact CE2-CG 3.95Å; F68-Y73 AromaticContact CZ-CD1 3.78Å; F68-Y73 HydrophobicContact CZ-CD1 3.78Å; F68-Y73 HydrophobicContact CZ-CD2 4.14Å; F68-Y73 HydrophobicContact CZ-CE1 4.48Å; F68-Y73 AromaticContact CZ-CG 3.57Å; F68-Y73 HydrophobicContact CZ-CG 3.57Å; D69-Y73 WeakPolarHBondContact O-CB 3.46Å; D69-Y73 PolarHBondContact O-N 2.98Å; E70-Y73 PolarHBondContact O-N 3.04Å; Y73-R136 HydrophobicContact CD1-CB 4.12Å; Y73-R136 HydrophobicContact CD1-CG 4.49Å; Y73-R136 HydrophobicContact CE1-CB 3.5Å; Y73-R136 VanDerWaalsContact CE1-CB 3.5Å; Y73-R136 HydrophobicContact CE1-CG 3.81Å; Y73-R136 HydrophobicContact CE2-CG 4.17Å; Y73-R136 WeakPolarHBondContact O-CD 3.5Å; Y73-R136 PolarHBondContact O-NH1 3.43Å; Y73-L140 HydrophobicContact CD1-CB 4.44Å; Y73-L140 HydrophobicContact CD1-CD2 4.09Å; Y73-L140 HydrophobicContact CE1-CB 4Å; Y73-L140 HydrophobicContact CE1-CD2 4.48Å; Y73-D170 PolarHBondContact OH-O 3.4Å; Y73-L173 HydrophobicContact CD2-CB 3.94Å; Y73-L173 HydrophobicContact CD2-CD1 3.91Å; Y73-L173 HydrophobicContact CE2-CB 4.22Å; Y73-L173 HydrophobicContact CE2-CD1 4.47Å; Y73-L174 HydrophobicContact CE1-CD2 4.04Å; Y73-L174 HydrophobicContact CE2-CD2 4.21Å; Y73-L174 HydrophobicContact CE2-CG 4.2Å
74	L	96.1	Very high	87.3	Confident	31 Å²	31	82 Å²	82	16%	0.162	49%	0.491	C	S	.	.	H	α-helix	trans	-72.4	-46.9	-177.8	-66.3	175.9	0	0	0	112.6	E70 A72 A76 K77 P101 R136 L140	E70-L74 HydrophobicContact CG-CD1 3.97Å; E70-L74 HydrophobicContact CG-CG 4.49Å; E70-L74 WeakPolarHBondContact O-CG 3.1Å; E70-L74 PolarHBondContact O-N 2.96Å; A72-L74 PolarHBondContact O-N 2.83Å; L74-A76 PolarHBondContact O-N 2.79Å; L74-K77 PolarHBondContact O-N 2.04Å; L74-P101 HydrophobicContact CD1-CG 3.92Å; L74-R136 HydrophobicContact CD2-CB 4.32Å; L74-L140 HydrophobicContact CD1-CD2 4.44Å; L74-L140 HydrophobicContact CD2-CD2 4.16Å; L74-L140 HydrophobicContact CG-CD2 4.28Å
75	S	94.8	Very high	89.4	Confident	62 Å²	62	77.6 Å²	77.6	43%	0.434	46%	0.462	S	S	.	.	H	α-helix	trans	-60.5	-28.3	-177.4	56.5	0	0	0	0	113.8	K71 A72 K77	K71-S75 VanDerWaalsContact O-CB 3.24Å; K71-S75 WeakPolarHBondContact O-CB 3.4Å; K71-S75 PolarHBondContact O-N 2.85Å; K71-S75 PolarHBondContact O-OG 3.39Å; A72-S75 PolarHBondContact O-OG 2.97Å; S75-K77 PolarHBondContact O-N 3.27Å
76	A	94.5	Very high	91.7	Very high	69 Å²	69	75.8 Å²	75.8	57%	0.57	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.4	179.8	0	0	0	0	0	114.6	A72 L74 R136	A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.4Å; L74-A76 PolarHBondContact O-N 2.79Å; A76-R136 VanDerWaalsContact CB-NH1 3.31Å
77	K	93.6	Very high	93.3	Very high	66 Å²	66	75.6 Å²	75.6	29%	0.287	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	28.8	178.9	-70.9	-161.6	177.1	173.1	0	114.6	L74 S75 Q93 R136 D167 D170	L74-K77 PolarHBondContact O-N 2.04Å; S75-K77 PolarHBondContact O-N 3.27Å; K77-Q93 PolarHBondContact O-NE2 3.46Å; K77-R136 HydrophobicContact CB-CG 4.34Å; K77-R136 HydrophobicContact CD-CG 4.08Å; K77-D167 WeakPolarHBondContact CE-OD2 3.26Å; K77-D167 IonicContact NZ-OD2 3.08Å; K77-D167 PolarHBondContact NZ-OD2 3.38Å; K77-D170 WeakPolarHBondContact CE-OD1 3.27Å; K77-D170 IonicContact NZ-OD1 3.52Å; K77-D170 PolarHBondContact NZ-OD1 3.35Å; K77-D170 IonicContact NZ-OD2 2.64Å; K77-D170 PolarHBondContact NZ-OD2 2.83Å
78	Q	91.3	Very high	94.1	Very high	116 Å²	116	76.8 Å²	76.8	54%	0.542	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-63.4	146.2	174	-77.5	-178.7	-15	0	0	111.8	K80	Q78-K80 PolarHBondContact O-N 2.73Å
79	L	92.4	Very high	94.3	Very high	29 Å²	29	75.3 Å²	75.3	15%	0.152	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-59.6	128.8	171.8	-171.1	75.3	0	0	0	110	E83 P85 L94	L79-E83 HydrophobicContact CD1-CB 3.74Å; L79-E83 HydrophobicContact CG-CB 4.14Å; L79-P85 HydrophobicContact CD2-CB 3.61Å; L79-L94 HydrophobicContact CD2-CB 3.94Å
80	K	91.3	Very high	94.4	Very high	147 Å²	147	71 Å²	71	64%	0.639	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-75.4	149.8	177.6	-59.6	-178.9	-175.5	172.8	0	110.7	Q78 G82 E83	Q78-K80 PolarHBondContact O-N 2.73Å; K80-G82 PolarHBondContact O-N 2.88Å; K80-E83 HydrophobicContact CB-CG 4.06Å; K80-E83 WeakPolarHBondContact O-CB 3.37Å; K80-E83 PolarHBondContact O-N 3.2Å; K80-E83 VanDerWaalsContact O-N 3.11Å
81	A	90.9	Very high	94.5	Very high	111 Å²	111	68.6 Å²	68.6	92%	0.917	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	128.1	176.8	0	0	0	0	0	111.1
82	G	91.9	Very high	94.6	Very high	89 Å²	89	61.4 Å²	61.4	92%	0.918	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-5.9	-179.7	0	0	0	0	0	115.7	K80	K80-G82 PolarHBondContact O-N 2.88Å
83	E	94.9	Very high	94.7	Very high	64 Å²	64	59.5 Å²	59.5	30%	0.299	34%	0.335	S	S	.	.	S	Bend	trans	-77.7	147	173	-68.2	-171.6	179.1	0	0	112	L79 K80 P85	L79-E83 HydrophobicContact CD1-CB 3.74Å; L79-E83 HydrophobicContact CG-CB 4.14Å; K80-E83 HydrophobicContact CB-CG 4.06Å; K80-E83 WeakPolarHBondContact O-CB 3.37Å; K80-E83 PolarHBondContact O-N 3.2Å; K80-E83 VanDerWaalsContact O-N 3.11Å; E83-P85 WeakPolarHBondContact O-CD 3.47Å
84	D	96	Very high	94.7	Very high	82 Å²	82	63 Å²	63	44%	0.439	35%	0.354	S	S	.	.			trans	-67.6	117	172.9	167.6	18.4	0	0	0	110.4	Y86 R87	D84-Y86 PolarHBondContact O-N 3.47Å; D84-Y86 VanDerWaalsContact O-N 3.14Å; D84-Y86 PolarHBondContact OD1-N 2.88Å; D84-R87 HydrophobicContact CB-CB 4.11Å; D84-R87 WeakPolarHBondContact O-CB 3.42Å; D84-R87 PolarHBondContact O-N 3.18Å
85	P	96.4	Very high	94.8	Very high	28 Å²	28	64.1 Å²	64.1	18%	0.182	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.6	-176.4	25.5	-33.3	0	0	0	113.9	L79 E83 N92 Q93 L94	L79-P85 HydrophobicContact CD2-CB 3.61Å; E83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-N92 WeakPolarHBondContact CB-OD1 3.42Å; P85-Q93 WeakPolarHBondContact O-CB 3.32Å; P85-Q93 PolarHBondContact O-N 3.47Å; P85-L94 HydrophobicContact CB-CB 4.05Å
86	Y	96.6	Very high	95	Very high	65 Å²	65	61.2 Å²	61.2	26%	0.255	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.4	-179.6	-63.3	-92.1	0	0	0	113.2	D84 Q88 A90 F91 N92 L245 D246 R350	D84-Y86 PolarHBondContact O-N 3.47Å; D84-Y86 VanDerWaalsContact O-N 3.14Å; D84-Y86 PolarHBondContact OD1-N 2.88Å; Y86-Q88 PolarHBondContact O-N 3.5Å; Y86-A90 VanDerWaalsContact O-CA 3.29Å; Y86-A90 WeakPolarHBondContact O-CA 3.4Å; Y86-A90 PolarHBondContact O-N 3.33Å; Y86-F91 WeakPolarHBondContact CA-O 3.5Å; Y86-F91 VanDerWaalsContact CD1-C 3.42Å; Y86-N92 HydrophobicContact CE1-CB 3.8Å; Y86-N92 HydrophobicContact CE2-CB 4.22Å; Y86-L245 HydrophobicContact CD1-CD1 4.42Å; Y86-L245 HydrophobicContact CE1-CD1 3.9Å; Y86-D246 WeakPolarHBondContact CE1-OD1 3.17Å; Y86-D246 PolarHBondContact OH-OD1 3.45Å; Y86-R350 PolarHBondContact O-NH2 3.05Å
87	R	94.2	Very high	95.1	Very high	153 Å²	153	59.5 Å²	59.5	58%	0.577	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-50.3	-166.1	-169.7	177	75.9	137.2	0	112.6	D84 R350	D84-R87 HydrophobicContact CB-CB 4.11Å; D84-R87 WeakPolarHBondContact O-CB 3.42Å; D84-R87 PolarHBondContact O-N 3.18Å; R87-R350 PolarHBondContact O-NH2 3.44Å
88	Q	93	Very high	95.2	Very high	93 Å²	93	62.6 Å²	62.6	44%	0.435	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-33.9	-171.6	-58.4	-169.8	28.2	0	0	113.3	Y86 P352	Y86-Q88 PolarHBondContact O-N 3.5Å; Q88-P352 WeakPolarHBondContact O-CB 3.27Å
89	H	95.5	Very high	95.5	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.056	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-3.5	-168.4	-53.7	-64.5	0	0	0	114.4	F91 Q93 N133 A135 R348	H89-F91 HydrophobicContact CB-CD1 3.98Å; H89-F91 HydrophobicContact CB-CD2 4.21Å; H89-F91 HydrophobicContact CB-CE1 3.58Å; H89-F91 HydrophobicContact CB-CE2 3.81Å; H89-F91 HydrophobicContact CB-CG 4.29Å; H89-F91 HydrophobicContact CB-CZ 3.48Å; H89-F91 VanDerWaalsContact CB-CZ 3.48Å; H89-F91 WeakPolarHBondContact O-CD1 3.48Å; H89-F91 PolarHBondContact O-N 3.34Å; H89-Q93 PolarHBondContact CD2-OE1 3.23Å; H89-Q93 PolarHBondContact NE2-OE1 2.99Å; H89-N133 PolarHBondContact CE1-O 3.33Å; H89-N133 PolarHBondContact ND1-O 2.96Å; H89-A135 PolarHBondContact CE1-N 3.35Å; H89-R348 WeakPolarHBondContact O-CD 3.41Å; H89-R348 PolarHBondContact O-NH1 2.82Å
90	A	96.4	Very high	95.7	Very high	6 Å²	6	60.8 Å²	60.8	5%	0.05	33%	0.331	C	S	.	.	S	Bend	trans	58.7	22.3	-178.6	0	0	0	0	0	114.9	Y86 R348 R350 P352	Y86-A90 VanDerWaalsContact O-CA 3.29Å; Y86-A90 WeakPolarHBondContact O-CA 3.4Å; Y86-A90 PolarHBondContact O-N 3.33Å; A90-R348 HydrophobicContact CB-CB 4.41Å; A90-R350 HydrophobicContact CB-CG 3.49Å; A90-R350 VanDerWaalsContact CB-CG 3.49Å; A90-R350 WeakPolarHBondContact CB-O 3.46Å; A90-P352 HydrophobicContact CB-CB 4.23Å
91	F	97.7	Very high	95.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-142.7	166.1	164.6	59.6	-112.3	0	0	0	107.6	Y86 H89 Q93 E134 A135 T138 L245 F248 V346 R348	Y86-F91 WeakPolarHBondContact CA-O 3.5Å; Y86-F91 VanDerWaalsContact CD1-C 3.42Å; H89-F91 HydrophobicContact CB-CD1 3.98Å; H89-F91 HydrophobicContact CB-CD2 4.21Å; H89-F91 HydrophobicContact CB-CE1 3.58Å; H89-F91 HydrophobicContact CB-CE2 3.81Å; H89-F91 HydrophobicContact CB-CG 4.29Å; H89-F91 HydrophobicContact CB-CZ 3.48Å; H89-F91 VanDerWaalsContact CB-CZ 3.48Å; H89-F91 WeakPolarHBondContact O-CD1 3.48Å; H89-F91 PolarHBondContact O-N 3.34Å; F91-Q93 PolarHBondContact O-N 3.39Å; F91-E134 WeakPolarHBondContact CE1-OE1 3.44Å; F91-A135 HydrophobicContact CE2-CB 4.07Å; F91-A135 HydrophobicContact CZ-CB 3.7Å; F91-T138 HydrophobicContact CE1-CG2 4.17Å; F91-T138 HydrophobicContact CE2-CG2 3.93Å; F91-T138 HydrophobicContact CZ-CG2 3.55Å; F91-L245 HydrophobicContact CB-CB 4.01Å; F91-F248 HydrophobicContact CB-CE2 4.48Å; F91-F248 HydrophobicContact CB-CZ 4.45Å; F91-F248 AromaticContact CD2-CE2 3.84Å; F91-F248 HydrophobicContact CD2-CE2 3.84Å; F91-F248 AromaticContact CD2-CZ 3.5Å; F91-F248 HydrophobicContact CD2-CZ 3.5Å; F91-F248 VanDerWaalsContact CD2-CZ 3.5Å; F91-F248 AromaticContact CE2-CZ 3.87Å; F91-F248 HydrophobicContact CE2-CZ 3.87Å; F91-F248 HydrophobicContact CG-CE2 4.42Å; F91-F248 HydrophobicContact CG-CZ 4.03Å; F91-V346 HydrophobicContact CB-CG1 3.81Å; F91-V346 HydrophobicContact CD1-CG1 3.89Å; F91-V346 HydrophobicContact CG-CG1 4.05Å; F91-R348 HydrophobicContact CD1-CG 4.49Å; F91-R348 VanDerWaalsContact CE1-CZ 3.41Å
92	N	97.8	Very high	96.2	Very high	18 Å²	18	51.9 Å²	51.9	10%	0.096	28%	0.276	C	S	.	.			trans	-72.5	93.7	-177.9	-167.6	-26.6	0	0	0	112	P85 Y86 L94 E95 S96 L245 D246 F248	P85-N92 WeakPolarHBondContact CB-OD1 3.42Å; Y86-N92 HydrophobicContact CE1-CB 3.8Å; Y86-N92 HydrophobicContact CE2-CB 4.22Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 3.21Å; N92-L94 WeakPolarHBondContact OD1-CB 3.11Å; N92-L94 PolarHBondContact OD1-N 2.67Å; N92-E95 HydrophobicContact CB-CB 4.28Å; N92-E95 HydrophobicContact CB-CG 4.26Å; N92-E95 WeakPolarHBondContact ND2-CG 2.73Å; N92-E95 PolarHBondContact O-N 3.06Å; N92-E95 PolarHBondContact OD1-N 3.01Å; N92-S96 PolarHBondContact O-N 3.12Å; N92-L245 WeakPolarHBondContact CB-O 3.4Å; N92-L245 PolarHBondContact N-O 3.03Å; N92-D246 WeakPolarHBondContact CB-O 3.48Å; N92-D246 PolarHBondContact ND2-O 3.03Å; N92-F248 WeakPolarHBondContact O-CE2 3.35Å
93	Q	97.4	Very high	96.5	Very high	5 Å²	5	49 Å²	49	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-37.6	179.9	-175.4	-175.8	-10.9	0	0	112.2	K77 P85 H89 F91 E95 S96 D97 A135	K77-Q93 PolarHBondContact O-NE2 3.46Å; P85-Q93 WeakPolarHBondContact O-CB 3.32Å; P85-Q93 PolarHBondContact O-N 3.47Å; H89-Q93 PolarHBondContact CD2-OE1 3.23Å; H89-Q93 PolarHBondContact NE2-OE1 2.99Å; F91-Q93 PolarHBondContact O-N 3.39Å; Q93-E95 VanDerWaalsContact C-N 3.3Å; Q93-E95 PolarHBondContact O-N 2.9Å; Q93-S96 WeakPolarHBondContact O-CB 3.47Å; Q93-S96 PolarHBondContact O-N 3.31Å; Q93-S96 VanDerWaalsContact O-N 3.1Å; Q93-D97 PolarHBondContact NE2-OD2 3.08Å; Q93-D97 WeakPolarHBondContact O-CB 3.47Å; Q93-D97 VanDerWaalsContact O-CG 3.28Å; Q93-D97 PolarHBondContact O-N 3.38Å; Q93-A135 HydrophobicContact CG-CB 4.5Å
94	L	96.9	Very high	96.6	Very high	77 Å²	77	51.9 Å²	51.9	40%	0.403	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-40.9	-179	-179.4	62.9	0	0	0	111.9	L79 P85 N92 K98	L79-L94 HydrophobicContact CD2-CB 3.94Å; P85-L94 HydrophobicContact CB-CB 4.05Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 3.21Å; N92-L94 WeakPolarHBondContact OD1-CB 3.11Å; N92-L94 PolarHBondContact OD1-N 2.67Å; L94-K98 WeakPolarHBondContact O-CG 3.45Å; L94-K98 PolarHBondContact O-N 3.27Å
95	E	97.8	Very high	96.6	Very high	55 Å²	55	49.4 Å²	49.4	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-70.9	-35.8	175.6	-65.4	-56	133.4	0	0	112.1	N92 Q93 K98 L99 D246 F248	N92-E95 HydrophobicContact CB-CB 4.28Å; N92-E95 HydrophobicContact CB-CG 4.26Å; N92-E95 WeakPolarHBondContact ND2-CG 2.73Å; N92-E95 PolarHBondContact O-N 3.06Å; N92-E95 PolarHBondContact OD1-N 3.01Å; Q93-E95 VanDerWaalsContact C-N 3.3Å; Q93-E95 PolarHBondContact O-N 2.9Å; E95-K98 IonicContact OE1-NZ 3.89Å; E95-K98 PolarHBondContact OE1-NZ 3.27Å; E95-K98 IonicContact OE2-NZ 2.68Å; E95-L99 WeakPolarHBondContact O-CG 3.46Å; E95-D246 WeakPolarHBondContact CG-O 3.31Å; E95-F248 HydrophobicContact CB-CD2 4Å
96	S	97.9	Very high	96.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-41.6	174	-174.1	0	0	0	0	112.8	N92 Q93 K98 L99 S137 T138 R141 F248	N92-S96 PolarHBondContact O-N 3.12Å; Q93-S96 WeakPolarHBondContact O-CB 3.47Å; Q93-S96 PolarHBondContact O-N 3.31Å; Q93-S96 VanDerWaalsContact O-N 3.1Å; S96-K98 VanDerWaalsContact C-N 3.31Å; S96-K98 PolarHBondContact O-N 3.33Å; S96-L99 PolarHBondContact O-N 3.02Å; S96-S137 WeakPolarHBondContact CB-OG 3.38Å; S96-S137 WeakPolarHBondContact OG-CB 3.3Å; S96-S137 PolarHBondContact OG-OG 2.94Å; S96-T138 WeakPolarHBondContact OG-CG2 3.39Å; S96-R141 PolarHBondContact O-NH1 2.66Å; S96-R141 PolarHBondContact OG-NH1 3.09Å; S96-R141 PolarHBondContact OG-NH2 2.93Å; S96-F248 VanDerWaalsContact CB-CZ 3.47Å
97	D	96.8	Very high	96.7	Very high	34 Å²	34	57.6 Å²	57.6	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-73.9	-22.3	-174.6	-71.5	-4.4	0	0	0	112.5	Q93 L99 S137	Q93-D97 PolarHBondContact NE2-OD2 3.08Å; Q93-D97 WeakPolarHBondContact O-CB 3.47Å; Q93-D97 VanDerWaalsContact O-CG 3.28Å; Q93-D97 PolarHBondContact O-N 3.38Å; D97-L99 VanDerWaalsContact C-N 3.28Å; D97-S137 WeakPolarHBondContact OD1-CB 3.42Å; D97-S137 PolarHBondContact OD1-OG 3.21Å
98	K	96.2	Very high	96.9	Very high	131 Å²	131	51 Å²	51	57%	0.57	26%	0.256	S	S	*	.	H	α-helix	trans	-72.4	-22.3	173.1	-72.6	169.5	-173.2	173	0	113.1	L94 E95 S96	L94-K98 WeakPolarHBondContact O-CG 3.45Å; L94-K98 PolarHBondContact O-N 3.27Å; E95-K98 IonicContact OE1-NZ 3.89Å; E95-K98 PolarHBondContact OE1-NZ 3.27Å; E95-K98 IonicContact OE2-NZ 2.68Å; S96-K98 VanDerWaalsContact C-N 3.31Å; S96-K98 PolarHBondContact O-N 3.33Å
99	L	97.2	Very high	97.1	Very high	48 Å²	48	48.1 Å²	48.1	25%	0.251	24%	0.241	S	C	.	.	S	Bend	trans	-87.1	136.8	-172.3	-67.9	167.5	0	0	0	111.2	E95 S96 D97 F248	E95-L99 WeakPolarHBondContact O-CG 3.46Å; S96-L99 PolarHBondContact O-N 3.02Å; D97-L99 VanDerWaalsContact C-N 3.28Å; L99-F248 HydrophobicContact CD1-CB 3.4Å; L99-F248 HydrophobicContact CD1-CD1 4.17Å; L99-F248 HydrophobicContact CD1-CG 3.94Å
100	S	97.3	Very high	97.2	Very high	59 Å²	59	50.3 Å²	50.3	41%	0.413	25%	0.252	S	S	.	.			trans	-58	134.8	168.1	172.2	0	0	0	0	110.2	D102 R103	S100-D102 PolarHBondContact O-N 3.09Å; S100-D102 VanDerWaalsContact O-N 3.15Å; S100-D102 PolarHBondContact OG-N 3.15Å; S100-D102 VanDerWaalsContact OG-N 3.07Å; S100-R103 WeakPolarHBondContact O-CB 3.42Å; S100-R103 PolarHBondContact O-N 3.22Å
101	P	96.1	Very high	97.2	Very high	6 Å²	6	59.1 Å²	59.1	4%	0.039	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-21.8	167.6	-31.3	40.8	0	0	0	114.5	E70 L74 L140 K144	E70-P101 HydrophobicContact CG-CG 4.28Å; E70-P101 WeakPolarHBondContact OE1-CD 3.48Å; E70-P101 VanDerWaalsContact OE1-CG 3.25Å; E70-P101 WeakPolarHBondContact OE1-CG 3.36Å; L74-P101 HydrophobicContact CD1-CG 3.92Å; P101-L140 HydrophobicContact CB-CD2 4.03Å; P101-L140 HydrophobicContact CB-CG 4.03Å; P101-L140 HydrophobicContact CG-CD2 3.69Å; P101-L140 HydrophobicContact CG-CG 4.19Å; P101-K144 HydrophobicContact CB-CD 3.47Å; P101-K144 VanDerWaalsContact CB-CD 3.47Å; P101-K144 HydrophobicContact CB-CG 4.4Å
102	D	96.4	Very high	97.1	Very high	65 Å²	65	60.6 Å²	60.6	35%	0.348	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	15.1	176.6	-55.6	-55.7	0	0	0	113.3	S100 K144 N148	S100-D102 PolarHBondContact O-N 3.09Å; S100-D102 VanDerWaalsContact O-N 3.15Å; S100-D102 PolarHBondContact OG-N 3.15Å; S100-D102 VanDerWaalsContact OG-N 3.07Å; D102-K144 WeakPolarHBondContact OD1-CD 3.43Å; D102-K144 WeakPolarHBondContact OD1-CE 3.22Å; D102-K144 IonicContact OD1-NZ 2.7Å; D102-K144 PolarHBondContact OD1-NZ 3.02Å; D102-K144 VanDerWaalsContact OD1-NZ 3.11Å; D102-K144 IonicContact OD2-NZ 2.65Å; D102-K144 PolarHBondContact OD2-NZ 2.81Å; D102-N148 PolarHBondContact OD1-ND2 2.75Å
103	R	97.4	Very high	97.1	Very high	28 Å²	28	59.8 Å²	59.8	11%	0.106	29%	0.291	C	S	.	.			trans	-49.7	139.1	-173.2	68.9	176.2	-171.8	157.3	-2.2	112.2	S100 I105 R149 E215 F248	S100-R103 WeakPolarHBondContact O-CB 3.42Å; S100-R103 PolarHBondContact O-N 3.22Å; R103-I105 HydrophobicContact CG-CG2 4.46Å; R103-R149 PolarHBondContact O-NH2 2.85Å; R103-E215 IonicContact CZ-OE1 3.23Å; R103-E215 VanDerWaalsContact CZ-OE1 3.32Å; R103-E215 IonicContact CZ-OE2 2.78Å; R103-E215 IonicContact NE-OE1 2.69Å; R103-E215 PolarHBondContact NE-OE1 2.85Å; R103-E215 IonicContact NE-OE2 3.22Å; R103-E215 PolarHBondContact NE-OE2 3.26Å; R103-E215 VanDerWaalsContact NH2-CD 3.29Å; R103-E215 IonicContact NH2-OE1 3.71Å; R103-E215 PolarHBondContact NH2-OE1 3.37Å; R103-E215 IonicContact NH2-OE2 3.88Å; R103-E215 PolarHBondContact NH2-OE2 3.12Å; R103-F248 VanDerWaalsContact CZ-O 3.29Å; R103-F248 PolarHBondContact NH1-O 3.34Å; R103-F248 PolarHBondContact NH2-O 3.45Å
104	P	96.9	Very high	97	Very high	124 Å²	124	63.1 Å²	63.1	81%	0.805	31%	0.313	S	S	*	.			trans	-66	144	171.2	29.3	-34	0	0	0	109.6
105	I	97.8	Very high	97	Very high	30 Å²	30	64.3 Å²	64.3	15%	0.154	33%	0.328	C	S	.	.			trans	-125.3	156.2	169.1	65.8	171.3	0	0	0	108.6	R103 R149 N217 Y250	R103-I105 HydrophobicContact CG-CG2 4.46Å; I105-R149 VanDerWaalsContact CG1-NH1 3.33Å; I105-N217 HydrophobicContact CD1-CB 4.21Å; I105-Y250 HydrophobicContact CB-CD2 4.13Å; I105-Y250 HydrophobicContact CB-CG 4.15Å; I105-Y250 HydrophobicContact CD1-CD2 3.68Å; I105-Y250 HydrophobicContact CD1-CE1 4.41Å; I105-Y250 HydrophobicContact CD1-CE2 3.36Å; I105-Y250 HydrophobicContact CD1-CG 4.33Å; I105-Y250 HydrophobicContact CG2-CD2 4Å; I105-Y250 HydrophobicContact CG2-CG 4.29Å
106	R	96.1	Very high	96.9	Very high	200 Å²	200	64 Å²	64	76%	0.755	33%	0.329	S	S	*	.			trans	-69.3	139	177.5	-178.9	178.9	174.8	180	1.1	110.4	T108 N217	R106-T108 PolarHBondContact O-N 2.93Å; R106-N217 PolarHBondContact O-ND2 3.48Å
107	D	97.8	Very high	96.7	Very high	66 Å²	66	69.4 Å²	69.4	35%	0.353	37%	0.368	S	S	.	.			trans	-67.8	114	165.1	-170.6	-10.3	0	0	0	109.1	R109 T218	D107-R109 WeakPolarHBondContact OD1-CB 3.38Å; D107-R109 WeakPolarHBondContact OD1-CG 3.37Å; D107-R109 PolarHBondContact OD1-N 2.9Å; D107-R109 IonicContact OD1-NE 2.74Å; D107-R109 PolarHBondContact OD1-NE 2.86Å; D107-R109 IonicContact OD2-CZ 2.64Å; D107-R109 IonicContact OD2-NE 3.68Å; D107-R109 PolarHBondContact OD2-NE 3.41Å; D107-R109 VanDerWaalsContact OD2-NE 3.08Å; D107-R109 IonicContact OD2-NH2 2.9Å; D107-R109 PolarHBondContact OD2-NH2 2.97Å; D107-T218 HydrophobicContact CB-CG2 4.22Å; D107-T218 VanDerWaalsContact OD2-CG2 3.3Å; D107-T218 WeakPolarHBondContact OD2-CG2 3.15Å
108	T	97.9	Very high	96.7	Very high	14 Å²	14	70.3 Å²	70.3	9%	0.086	37%	0.369	C	S	.	.			trans	-101.9	5.1	-178.1	51.5	0	0	0	0	112.8	R106 N217 D241 Y250 A252 R342	R106-T108 PolarHBondContact O-N 2.93Å; T108-N217 PolarHBondContact N-ND2 3.4Å; T108-N217 PolarHBondContact OG1-ND2 2.54Å; T108-N217 VanDerWaalsContact OG1-ND2 3.14Å; T108-D241 WeakPolarHBondContact CB-OD2 3.44Å; T108-D241 PolarHBondContact OG1-OD2 3.38Å; T108-Y250 HydrophobicContact CG2-CD1 4.03Å; T108-Y250 HydrophobicContact CG2-CE1 3.65Å; T108-A252 HydrophobicContact CG2-CB 3.66Å; T108-R342 VanDerWaalsContact O-CZ 3.26Å; T108-R342 PolarHBondContact O-NE 3.01Å; T108-R342 PolarHBondContact O-NH2 3.25Å
109	R	97.7	Very high	96.7	Very high	32 Å²	32	66.2 Å²	66.2	12%	0.121	36%	0.357	C	S	.	.	S	Bend	trans	-67.5	158.9	176.6	-60.6	177.5	-58	161.7	0.2	110.8	D107 C113 E219 C340 R342	D107-R109 WeakPolarHBondContact OD1-CB 3.38Å; D107-R109 WeakPolarHBondContact OD1-CG 3.37Å; D107-R109 PolarHBondContact OD1-N 2.9Å; D107-R109 IonicContact OD1-NE 2.74Å; D107-R109 PolarHBondContact OD1-NE 2.86Å; D107-R109 IonicContact OD2-CZ 2.64Å; D107-R109 IonicContact OD2-NE 3.68Å; D107-R109 PolarHBondContact OD2-NE 3.41Å; D107-R109 VanDerWaalsContact OD2-NE 3.08Å; D107-R109 IonicContact OD2-NH2 2.9Å; D107-R109 PolarHBondContact OD2-NH2 2.97Å; R109-C113 HydrophobicContact CB-CB 3.91Å; R109-E219 IonicContact CZ-OE2 2.91Å; R109-E219 IonicContact NH1-OE2 3.97Å; R109-E219 PolarHBondContact NH1-OE2 2.61Å; R109-E219 IonicContact NH2-OE2 3.4Å; R109-C340 VanDerWaalsContact CD-O 3.23Å; R109-C340 WeakPolarHBondContact CD-O 3.48Å; R109-R342 HydrophobicContact CG-CB 4.47Å; R109-R342 HydrophobicContact CG-CG 3.73Å
110	H	97	Very high	96.6	Very high	59 Å²	59	69.6 Å²	69.6	27%	0.273	38%	0.384	S	S	.	.			trans	-65	147.1	169.9	-168.8	-94.5	0	0	0	109.9	S112 C113 P283	H110-S112 PolarHBondContact CE1-OG 2.95Å; H110-S112 WeakPolarHBondContact ND1-CB 3.24Å; H110-S112 PolarHBondContact ND1-N 2.93Å; H110-S112 PolarHBondContact ND1-OG 3.13Å; H110-S112 PolarHBondContact O-N 3.19Å; H110-C113 VanDerWaalsContact O-CB 3.28Å; H110-C113 WeakPolarHBondContact O-CB 3.13Å; H110-C113 PolarHBondContact O-N 2.68Å; H110-P283 WeakPolarHBondContact CE1-CG 3.41Å
111	Y	96.3	Very high	96.5	Very high	190 Å²	190	71.7 Å²	71.7	75%	0.745	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-18.4	-176.9	67	-96.9	0	0	0	113.9	P114	Y111-P114 WeakPolarHBondContact O-CD 3.32Å
112	S	96.4	Very high	96.6	Very high	31 Å²	31	72.3 Å²	72.3	22%	0.217	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.3	175.4	-43.3	0	0	0	0	113.6	H110 S115	H110-S112 PolarHBondContact CE1-OG 2.95Å; H110-S112 WeakPolarHBondContact ND1-CB 3.24Å; H110-S112 PolarHBondContact ND1-N 2.93Å; H110-S112 PolarHBondContact ND1-OG 3.13Å; H110-S112 PolarHBondContact O-N 3.19Å; S112-S115 PolarHBondContact O-N 3.06Å
113	C	97.4	Very high	96.7	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.007	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-62.8	-40.9	-177.9	-71.5	0	0	0	0	114.1	R109 H110 S115 V116 C340	R109-C113 HydrophobicContact CB-CB 3.91Å; H110-C113 VanDerWaalsContact O-CB 3.28Å; H110-C113 WeakPolarHBondContact O-CB 3.13Å; H110-C113 PolarHBondContact O-N 2.68Å; C113-S115 PolarHBondContact O-N 3.49Å; C113-S115 VanDerWaalsContact O-N 3.13Å; C113-V116 WeakPolarHBondContact O-CB 3.4Å; C113-V116 PolarHBondContact O-N 2.9Å; C113-C340 VanDerWaalsContact CA-SG 3.51Å; C113-C340 HydrophobicContact CB-CB 3.66Å; C113-C340 WeakPolarHBondContact CB-SG 3.09Å; C113-C340 WeakPolarHBondContact SG-CA 3.46Å; C113-C340 WeakPolarHBondContact SG-CB 3.08Å; C113-C340 CovalentContact SG-SG 2.05Å; C113-C340 PolarHBondContact SG-SG 3.39Å
114	P	96.4	Very high	96.8	Very high	76 Å²	76	70.5 Å²	70.5	49%	0.494	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-59.4	-21.4	175.1	-25	34.9	0	0	0	114.4	Y111	Y111-P114 WeakPolarHBondContact O-CD 3.32Å
115	S	95.8	Very high	96.9	Very high	101 Å²	101	64.6 Å²	64.6	71%	0.706	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-86.3	-6.3	177.9	-52.6	0	0	0	0	113.3	S112 C113	S112-S115 PolarHBondContact O-N 3.06Å; C113-S115 PolarHBondContact O-N 3.49Å; C113-S115 VanDerWaalsContact O-N 3.13Å
116	V	95.9	Very high	96.9	Very high	48 Å²	48	63.1 Å²	63.1	29%	0.291	35%	0.345	S	S	.	.			trans	-80.7	123.8	178.2	-178.8	0	0	0	0	108.8	C113 Y118 T284	C113-V116 WeakPolarHBondContact O-CB 3.4Å; C113-V116 PolarHBondContact O-N 2.9Å; V116-Y118 HydrophobicContact CG1-CD1 4.39Å; V116-Y118 HydrophobicContact CG1-CE1 3.6Å; V116-Y118 HydrophobicContact CG1-CE2 4.42Å; V116-T284 HydrophobicContact CG2-CG2 3.94Å
117	S	94.9	Very high	97.1	Very high	115 Å²	115	53.6 Å²	53.6	80%	0.804	31%	0.309	S	S	*	.			trans	-93.2	141	176.2	-60.9	0	0	0	0	111.2
118	Y	96.1	Very high	97.1	Very high	53 Å²	53	50.5 Å²	50.5	21%	0.208	29%	0.292	C	S	.	.			trans	-116.1	159.4	176.9	-55.2	-67.2	0	0	0	110.8	V116 P222 P223 Q226	V116-Y118 HydrophobicContact CG1-CD1 4.39Å; V116-Y118 HydrophobicContact CG1-CE1 3.6Å; V116-Y118 HydrophobicContact CG1-CE2 4.42Å; Y118-P222 HydrophobicContact CD2-CB 3.76Å; Y118-P222 HydrophobicContact CE2-CB 4.32Å; Y118-P222 HydrophobicContact CG-CB 4.08Å; Y118-P223 HydrophobicContact CE1-CB 3.93Å; Y118-P223 HydrophobicContact CE1-CG 4.24Å; Y118-P223 HydrophobicContact CE2-CG 3.94Å; Y118-P223 WeakPolarHBondContact OH-CB 3.4Å; Y118-P223 WeakPolarHBondContact OH-CG 3.39Å; Y118-Q226 HydrophobicContact CD1-CB 3.87Å; Y118-Q226 HydrophobicContact CD1-CG 4.03Å
119	S	95.9	Very high	97.2	Very high	45 Å²	45	49.8 Å²	49.8	32%	0.315	29%	0.288	S	S	.	.			trans	-56.7	142.3	176.6	-142.3	0	0	0	0	111.2	D121 L122 Q226 K229	S119-D121 VanDerWaalsContact C-N 3.3Å; S119-D121 WeakPolarHBondContact CB-OD1 3.06Å; S119-D121 PolarHBondContact OG-OD1 2.81Å; S119-L122 WeakPolarHBondContact O-CG 3.11Å; S119-Q226 VanDerWaalsContact N-OE1 3.1Å; S119-K229 PolarHBondContact OG-NZ 3.13Å
120	S	94.6	Very high	97.2	Very high	118 Å²	118	48.8 Å²	48.8	83%	0.825	29%	0.286	S	S	*	.	S	Bend	trans	-74.1	-24	175.6	52.5	0	0	0	0	113
121	D	96.7	Very high	97.3	Very high	103 Å²	103	46.3 Å²	46.3	55%	0.551	27%	0.274	S	S	*	.	S	Bend	trans	-103.3	47.2	-177.9	65.5	-35	0	0	0	111.7	S119 K229	S119-D121 VanDerWaalsContact C-N 3.3Å; S119-D121 WeakPolarHBondContact CB-OD1 3.06Å; S119-D121 PolarHBondContact OG-OD1 2.81Å; D121-K229 PolarHBondContact O-NZ 2.81Å; D121-K229 IonicContact OD1-NZ 3.6Å; D121-K229 PolarHBondContact OD1-NZ 3.45Å; D121-K229 IonicContact OD2-NZ 3.54Å; D121-K229 PolarHBondContact OD2-NZ 3.36Å
122	L	98.3	Very high	97.3	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.099	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-68.6	142.7	172.2	-72.3	171.6	0	0	0	111.2	S119 L154 P222 L225 Q226 K229	S119-L122 WeakPolarHBondContact O-CG 3.11Å; L122-L154 HydrophobicContact CB-CD2 3.71Å; L122-L154 HydrophobicContact CD1-CD1 4.5Å; L122-P222 HydrophobicContact CD1-CB 3.81Å; L122-L225 HydrophobicContact CB-CB 4.47Å; L122-L225 HydrophobicContact CB-CD1 4.5Å; L122-L225 HydrophobicContact CD1-CB 4.36Å; L122-L225 HydrophobicContact CD2-CB 4.07Å; L122-Q226 HydrophobicContact CD2-CB 4.14Å; L122-K229 HydrophobicContact CD2-CD 4.15Å
123	P	98	Very high	97.4	Very high	32 Å²	32	40.3 Å²	40.3	21%	0.208	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-68	141.6	177.1	29.2	-35.1	0	0	0	111.2	V206 L225	P123-V206 HydrophobicContact CB-CG2 3.98Å; P123-V206 HydrophobicContact CG-CG2 3.73Å; P123-L225 WeakPolarHBondContact O-CD1 3.49Å
124	A	98.3	Very high	97.4	Very high	23 Å²	23	40.7 Å²	40.7	19%	0.19	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.7	154	168.9	0	0	0	0	0	111.1	L154 Q156	A124-L154 CarbonylContact C-O 3.51Å; A124-L154 WeakPolarHBondContact CA-O 3.46Å; A124-Q156 HydrophobicContact CB-CB 4.22Å
125	T	98.9	Very high	97.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.4	178.8	-169.9	0	0	0	0	112	V127 L154 Q156 V206 T208 L221	T125-V127 HydrophobicContact CG2-CG2 3.96Å; T125-L154 PolarHBondContact N-O 2.9Å; T125-Q156 WeakPolarHBondContact O-CB 3.37Å; T125-Q156 PolarHBondContact O-N 2.87Å; T125-V206 WeakPolarHBondContact CA-O 3.42Å; T125-V206 PolarHBondContact OG1-O 2.92Å; T125-V206 VanDerWaalsContact OG1-O 3.05Å; T125-T208 WeakPolarHBondContact CG2-OG1 3.36Å; T125-T208 WeakPolarHBondContact OG1-CB 3.47Å; T125-T208 PolarHBondContact OG1-N 2.85Å; T125-T208 PolarHBondContact OG1-OG1 2.87Å; T125-L221 HydrophobicContact CG2-CD1 4.35Å; T125-L221 HydrophobicContact CG2-CD2 3.72Å
126	S	98.9	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.8	164.3	-66.3	0	0	0	0	107.7	E157 A203 A204 V206 T208	S126-E157 WeakPolarHBondContact OG-CG 3.42Å; S126-E157 PolarHBondContact OG-OE1 3.26Å; S126-A203 PolarHBondContact OG-N 2.94Å; S126-A204 WeakPolarHBondContact OG-CB 3.1Å; S126-A204 PolarHBondContact OG-N 2.92Å; S126-V206 PolarHBondContact N-O 3.18Å; S126-T208 PolarHBondContact O-N 3.05Å
127	V	98.9	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	119.3	179.4	-176.7	0	0	0	0	108.9	T125 I129 V146 E157 I158 I159 T208 L210	T125-V127 HydrophobicContact CG2-CG2 3.96Å; V127-I129 HydrophobicContact CG1-CD1 4.38Å; V127-I129 HydrophobicContact CG1-CG1 4.17Å; V127-V146 HydrophobicContact CG2-CG1 4.16Å; V127-E157 PolarHBondContact N-O 2.86Å; V127-I158 HydrophobicContact CB-CG1 4.25Å; V127-I158 CarbonylContact O-C 3.57Å; V127-I158 WeakPolarHBondContact O-CA 3.48Å; V127-I159 PolarHBondContact O-N 2.78Å; V127-T208 CarbonylContact C-O 3.47Å; V127-T208 VanDerWaalsContact CA-O 3.31Å; V127-T208 WeakPolarHBondContact CA-O 3.05Å; V127-L210 HydrophobicContact CG1-CD1 3.82Å; V127-L210 HydrophobicContact CG1-CG 4.44Å
128	I	98.9	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.9	-177.3	-60.9	160.2	0	0	0	108.7	T130 I159 V161 A199 L207 T208 F209 L210	I128-T130 HydrophobicContact CG2-CG2 4.37Å; I128-I159 WeakPolarHBondContact CA-O 3.37Å; I128-I159 HydrophobicContact CG1-CB 4.47Å; I128-I159 HydrophobicContact CG1-CD1 4.33Å; I128-V161 HydrophobicContact CG2-CG2 4.13Å; I128-A199 HydrophobicContact CD1-CB 4.14Å; I128-L207 HydrophobicContact CD1-CB 4.48Å; I128-L207 HydrophobicContact CD1-CD2 4.05Å; I128-T208 PolarHBondContact N-O 3.18Å; I128-F209 HydrophobicContact CB-CD1 3.86Å; I128-F209 HydrophobicContact CB-CE1 3.97Å; I128-F209 HydrophobicContact CD1-CD1 4.27Å; I128-F209 HydrophobicContact CD1-CE1 3.6Å; I128-F209 HydrophobicContact CD1-CZ 3.86Å; I128-F209 HydrophobicContact CG1-CE1 4.41Å; I128-F209 HydrophobicContact CG2-CD1 3.98Å; I128-F209 HydrophobicContact CG2-CE1 3.95Å; I128-F209 WeakPolarHBondContact O-CA 3.26Å; I128-L210 PolarHBondContact O-N 2.91Å; I128-L210 VanDerWaalsContact O-N 3.1Å
129	I	98.9	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.3	179	-54.7	173.1	0	0	0	108	V127 L139 T142 V143 I158 I159 L160 V161 L210	V127-I129 HydrophobicContact CG1-CD1 4.38Å; V127-I129 HydrophobicContact CG1-CG1 4.17Å; I129-L139 HydrophobicContact CG2-CD1 4.41Å; I129-T142 HydrophobicContact CD1-CG2 3.91Å; I129-V143 HydrophobicContact CD1-CG2 4.36Å; I129-I158 HydrophobicContact CD1-CG2 3.92Å; I129-I159 PolarHBondContact N-O 3.2Å; I129-L160 HydrophobicContact CB-CD2 3.78Å; I129-L160 HydrophobicContact CD1-CD2 3.92Å; I129-L160 HydrophobicContact CG1-CD2 4.28Å; I129-L160 HydrophobicContact CG2-CD2 4.31Å; I129-L160 CarbonylContact O-C 3.49Å; I129-L160 WeakPolarHBondContact O-CA 3.02Å; I129-V161 PolarHBondContact O-N 2.71Å; I129-L210 WeakPolarHBondContact CA-O 3.45Å; I129-L210 HydrophobicContact CG1-CB 4.11Å
130	T	98.5	Very high	98.1	Very high	11 Å²	11	20.8 Å²	20.8	7%	0.067	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.3	175.3	60.5	0	0	0	0	110.1	I128 V161 R195	I128-T130 HydrophobicContact CG2-CG2 4.37Å; T130-V161 WeakPolarHBondContact CA-O 3.25Å; T130-V161 HydrophobicContact CG2-CB 4.03Å; T130-V161 HydrophobicContact CG2-CG2 4.33Å; T130-R195 HydrophobicContact CG2-CB 4.24Å; T130-R195 HydrophobicContact CG2-CG 3.43Å; T130-R195 VanDerWaalsContact CG2-CG 3.43Å
131	F	98.5	Very high	98.3	Very high	7 Å²	7	15.4 Å²	15.4	3%	0.031	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	157.8	178.7	76.6	-83.5	0	0	0	112.6	E134 L139 L160 V161 D162 D163 D170 C171	F131-E134 HydrophobicContact CB-CB 4.18Å; F131-E134 HydrophobicContact CD2-CB 4.07Å; F131-L139 HydrophobicContact CD1-CD1 4.24Å; F131-L139 HydrophobicContact CD1-CD2 4.35Å; F131-L139 HydrophobicContact CD2-CD2 4.08Å; F131-L139 HydrophobicContact CE1-CD2 4.11Å; F131-L139 HydrophobicContact CE2-CD2 3.83Å; F131-L139 HydrophobicContact CG-CD1 4.33Å; F131-L139 HydrophobicContact CG-CD2 4.32Å; F131-L139 HydrophobicContact CZ-CD2 3.81Å; F131-L160 HydrophobicContact CE1-CB 4.15Å; F131-V161 PolarHBondContact N-O 3.32Å; F131-D162 HydrophobicContact CE1-CB 3.76Å; F131-D162 HydrophobicContact CE2-CB 4.38Å; F131-D162 HydrophobicContact CZ-CB 3.69Å; F131-D163 WeakPolarHBondContact O-CB 3.36Å; F131-D163 PolarHBondContact O-N 3Å; F131-D170 HydrophobicContact CE2-CB 4.01Å; F131-D170 HydrophobicContact CZ-CB 4.35Å; F131-C171 HydrophobicContact CE1-CB 4.17Å; F131-C171 HydrophobicContact CZ-CB 3.72Å
132	H	97.8	Very high	98.4	Very high	38 Å²	38	10.5 Å²	10.5	18%	0.176	6%	0.058	C	C	.	.	S	Bend	trans	-145	118	170.4	173.7	86.8	0	0	0	108.9	E134 D163 F164 S165 R188	H132-E134 VanDerWaalsContact C-N 3.25Å; H132-E134 PolarHBondContact O-N 2.68Å; H132-D163 HydrophobicContact CB-CB 4.33Å; H132-D163 PolarHBondContact ND1-O 2.65Å; H132-F164 PolarHBondContact CE1-O 3.46Å; H132-F164 PolarHBondContact ND1-O 3.46Å; H132-S165 WeakPolarHBondContact CA-OG 3.42Å; H132-R188 VanDerWaalsContact CD2-CZ 3.44Å; H132-R188 PolarHBondContact CD2-NH1 3.41Å; H132-R188 PolarHBondContact CE1-NH1 2.86Å; H132-R188 WeakPolarHBondContact ND1-CD 3.26Å; H132-R188 PolarHBondContact ND1-NH1 2.82Å; H132-R188 PolarHBondContact NE2-NH1 2.99Å
133	N	97.3	Very high	98.5	Very high	57 Å²	57	9.6 Å²	9.6	31%	0.305	5%	0.054	S	C	.	.	S	Bend	trans	49.8	44.9	-179.4	-64	-22.5	0	0	0	112.9	H89 S165 S166	H89-N133 PolarHBondContact CE1-O 3.33Å; H89-N133 PolarHBondContact ND1-O 2.96Å; N133-S165 PolarHBondContact N-OG 3.09Å; N133-S165 WeakPolarHBondContact OD1-CA 3.34Å; N133-S165 WeakPolarHBondContact OD1-CB 3.35Å; N133-S166 PolarHBondContact OD1-N 2.8Å; N133-S166 PolarHBondContact OD1-OG 3.21Å
134	E	98.1	Very high	98.5	Very high	8 Å²	8	9.8 Å²	9.8	4%	0.037	5%	0.051	C	C	.	.			trans	-75.5	151.1	175.2	-174.8	60.1	-92.8	0	0	110.9	F91 F131 H132 R136 T138 L139 S212 H213 R348	F91-E134 WeakPolarHBondContact CE1-OE1 3.44Å; F131-E134 HydrophobicContact CB-CB 4.18Å; F131-E134 HydrophobicContact CD2-CB 4.07Å; H132-E134 VanDerWaalsContact C-N 3.25Å; H132-E134 PolarHBondContact O-N 2.68Å; E134-R136 PolarHBondContact O-N 3.42Å; E134-T138 VanDerWaalsContact CD-OG1 3.31Å; E134-T138 WeakPolarHBondContact CG-OG1 3.45Å; E134-T138 PolarHBondContact OE1-OG1 2.99Å; E134-L139 HydrophobicContact CB-CB 4.42Å; E134-L139 HydrophobicContact CG-CB 3.96Å; E134-S212 PolarHBondContact OE2-OG 3.35Å; E134-H213 IonicContact OE2-CE1 2.72Å; E134-H213 IonicContact OE2-CG 3.69Å; E134-H213 IonicContact OE2-ND1 3.62Å; E134-H213 PolarHBondContact OE2-ND1 3.42Å; E134-R348 IonicContact OE1-NH1 3.68Å; E134-R348 IonicContact OE1-NH2 3.75Å; E134-R348 PolarHBondContact OE1-NH2 2.79Å; E134-R348 IonicContact OE2-NH2 2.67Å; E134-R348 PolarHBondContact OE2-NH2 3Å
135	A	97.9	Very high	98.5	Very high	2 Å²	2	8.9 Å²	8.9	2%	0.017	4%	0.044	C	C	.	.			trans	-64.6	135.6	172.2	0	0	0	0	0	110.2	H89 F91 Q93 S137 T138 L139	H89-A135 PolarHBondContact CE1-N 3.35Å; F91-A135 HydrophobicContact CE2-CB 4.07Å; F91-A135 HydrophobicContact CZ-CB 3.7Å; Q93-A135 HydrophobicContact CG-CB 4.5Å; A135-S137 PolarHBondContact O-N 3.44Å; A135-T138 PolarHBondContact O-N 2.04Å; A135-T138 PolarHBondContact O-OG1 3.27Å; A135-L139 PolarHBondContact O-N 2.91Å
136	R	98.1	Very high	98.5	Very high	16 Å²	16	8.9 Å²	8.9	6%	0.06	4%	0.044	C	C	.	.	H	α-helix	trans	-57	-37.2	-179.5	-74.9	-166.6	177.8	-175.9	0.9	112.4	Y73 L74 A76 K77 E134 L140 D167 D170	Y73-R136 HydrophobicContact CD1-CB 4.12Å; Y73-R136 HydrophobicContact CD1-CG 4.49Å; Y73-R136 HydrophobicContact CE1-CB 3.5Å; Y73-R136 VanDerWaalsContact CE1-CB 3.5Å; Y73-R136 HydrophobicContact CE1-CG 3.81Å; Y73-R136 HydrophobicContact CE2-CG 4.17Å; Y73-R136 WeakPolarHBondContact O-CD 3.5Å; Y73-R136 PolarHBondContact O-NH1 3.43Å; L74-R136 HydrophobicContact CD2-CB 4.32Å; A76-R136 VanDerWaalsContact CB-NH1 3.31Å; K77-R136 HydrophobicContact CB-CG 4.34Å; K77-R136 HydrophobicContact CD-CG 4.08Å; E134-R136 PolarHBondContact O-N 3.42Å; R136-L140 VanDerWaalsContact O-CB 3.22Å; R136-L140 WeakPolarHBondContact O-CB 3.24Å; R136-L140 PolarHBondContact O-N 2.75Å; R136-D167 IonicContact CZ-OD2 3.08Å; R136-D167 IonicContact NH2-OD2 3.05Å; R136-D167 PolarHBondContact NH2-OD2 2.95Å; R136-D170 IonicContact CZ-OD1 2.95Å; R136-D170 IonicContact NE-OD1 3.95Å; R136-D170 PolarHBondContact NE-OD1 2.74Å; R136-D170 IonicContact NH2-OD1 2.71Å; R136-D170 PolarHBondContact NH2-OD1 3.08Å
137	S	98.3	Very high	98.4	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.014	6%	0.055	C	C	.	.	H	α-helix	trans	-65.3	-43.7	178.7	54.6	0	0	0	0	113.1	S96 D97 A135 R141	S96-S137 WeakPolarHBondContact CB-OG 3.38Å; S96-S137 WeakPolarHBondContact OG-CB 3.3Å; S96-S137 PolarHBondContact OG-OG 2.94Å; D97-S137 WeakPolarHBondContact OD1-CB 3.42Å; D97-S137 PolarHBondContact OD1-OG 3.21Å; A135-S137 PolarHBondContact O-N 3.44Å; S137-R141 WeakPolarHBondContact O-CB 3.36Å; S137-R141 PolarHBondContact O-N 3.12Å; S137-R141 VanDerWaalsContact O-N 3.08Å; S137-R141 PolarHBondContact O-NH1 2.96Å
138	T	98.4	Very high	98.4	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-71	-42.8	177.4	47.3	0	0	0	0	112.2	F91 S96 E134 A135 R141 T142 S212 H213 F248	F91-T138 HydrophobicContact CE1-CG2 4.17Å; F91-T138 HydrophobicContact CE2-CG2 3.93Å; F91-T138 HydrophobicContact CZ-CG2 3.55Å; S96-T138 WeakPolarHBondContact OG-CG2 3.39Å; E134-T138 VanDerWaalsContact CD-OG1 3.31Å; E134-T138 WeakPolarHBondContact CG-OG1 3.45Å; E134-T138 PolarHBondContact OE1-OG1 2.99Å; A135-T138 PolarHBondContact O-N 2.04Å; A135-T138 PolarHBondContact O-OG1 3.27Å; T138-R141 PolarHBondContact O-N 2.69Å; T138-T142 PolarHBondContact O-N 3.35Å; T138-T142 PolarHBondContact O-OG1 3.43Å; T138-S212 CarbonylContact C-O 3.58Å; T138-H213 HydrophobicContact CG2-CB 4.36Å; T138-F248 HydrophobicContact CG2-CE1 3.86Å; T138-F248 HydrophobicContact CG2-CZ 4.1Å
139	L	98.8	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-49.6	178.8	-180	60.7	0	0	0	111.3	I129 F131 E134 A135 R141 T142 V143 L174 S212	I129-L139 HydrophobicContact CG2-CD1 4.41Å; F131-L139 HydrophobicContact CD1-CD1 4.24Å; F131-L139 HydrophobicContact CD1-CD2 4.35Å; F131-L139 HydrophobicContact CD2-CD2 4.08Å; F131-L139 HydrophobicContact CE1-CD2 4.11Å; F131-L139 HydrophobicContact CE2-CD2 3.83Å; F131-L139 HydrophobicContact CG-CD1 4.33Å; F131-L139 HydrophobicContact CG-CD2 4.32Å; F131-L139 HydrophobicContact CZ-CD2 3.81Å; E134-L139 HydrophobicContact CB-CB 4.42Å; E134-L139 HydrophobicContact CG-CB 3.96Å; A135-L139 PolarHBondContact O-N 2.91Å; L139-R141 PolarHBondContact O-N 3.05Å; L139-T142 WeakPolarHBondContact O-CB 3.28Å; L139-T142 PolarHBondContact O-N 2.8Å; L139-V143 PolarHBondContact O-N 2.87Å; L139-V143 VanDerWaalsContact O-N 3.13Å; L139-L174 HydrophobicContact CD2-CD1 3.73Å; L139-L174 HydrophobicContact CG-CD1 3.84Å; L139-S212 WeakPolarHBondContact CA-O 3.36Å; L139-S212 PolarHBondContact N-O 3.24Å
140	L	98.7	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-44	178.3	177.8	61.3	0	0	0	111.4	F68 E70 Y73 L74 P101 R136 T142 V143 K144 L174 I177	F68-L140 HydrophobicContact CE1-CD1 3.6Å; F68-L140 HydrophobicContact CE1-CD2 3.89Å; F68-L140 HydrophobicContact CE1-CG 4.42Å; F68-L140 HydrophobicContact CZ-CD1 3.92Å; F68-L140 HydrophobicContact CZ-CD2 4.22Å; E70-L140 HydrophobicContact CG-CD2 3.77Å; Y73-L140 HydrophobicContact CD1-CB 4.44Å; Y73-L140 HydrophobicContact CD1-CD2 4.09Å; Y73-L140 HydrophobicContact CE1-CB 4Å; Y73-L140 HydrophobicContact CE1-CD2 4.48Å; L74-L140 HydrophobicContact CD1-CD2 4.44Å; L74-L140 HydrophobicContact CD2-CD2 4.16Å; L74-L140 HydrophobicContact CG-CD2 4.28Å; P101-L140 HydrophobicContact CB-CD2 4.03Å; P101-L140 HydrophobicContact CB-CG 4.03Å; P101-L140 HydrophobicContact CG-CD2 3.69Å; P101-L140 HydrophobicContact CG-CG 4.19Å; R136-L140 VanDerWaalsContact O-CB 3.22Å; R136-L140 WeakPolarHBondContact O-CB 3.24Å; R136-L140 PolarHBondContact O-N 2.75Å; L140-T142 VanDerWaalsContact C-N 3.28Å; L140-T142 PolarHBondContact O-N 3.06Å; L140-V143 PolarHBondContact O-N 2.94Å; L140-K144 HydrophobicContact CD1-CD 4.13Å; L140-K144 HydrophobicContact CD1-CG 3.91Å; L140-K144 HydrophobicContact CG-CD 4.19Å; L140-K144 HydrophobicContact CG-CG 4.25Å; L140-K144 WeakPolarHBondContact O-CG 3.45Å; L140-K144 PolarHBondContact O-N 2.87Å; L140-L174 HydrophobicContact CD1-CD2 3.77Å; L140-I177 HydrophobicContact CD1-CD1 3.75Å
141	R	98.7	Very high	98.2	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-34.1	178.8	-174.5	164.2	58.7	-105.4	-2.7	112.3	S96 S137 T138 L139 S145 E215	S96-R141 PolarHBondContact O-NH1 2.66Å; S96-R141 PolarHBondContact OG-NH1 3.09Å; S96-R141 PolarHBondContact OG-NH2 2.93Å; S137-R141 WeakPolarHBondContact O-CB 3.36Å; S137-R141 PolarHBondContact O-N 3.12Å; S137-R141 VanDerWaalsContact O-N 3.08Å; S137-R141 PolarHBondContact O-NH1 2.96Å; T138-R141 PolarHBondContact O-N 2.69Å; L139-R141 PolarHBondContact O-N 3.05Å; R141-S145 VanDerWaalsContact O-CB 3.22Å; R141-S145 WeakPolarHBondContact O-CB 3.17Å; R141-S145 PolarHBondContact O-N 3.14Å; R141-S145 PolarHBondContact O-OG 3.22Å; R141-E215 WeakPolarHBondContact CD-OE1 3.23Å; R141-E215 HydrophobicContact CG-CG 3.88Å; R141-E215 IonicContact CZ-OE1 2.85Å; R141-E215 IonicContact NE-OE1 3.32Å; R141-E215 PolarHBondContact NE-OE1 3.43Å
142	T	98.9	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-53.3	171.1	-54.7	0	0	0	0	110.6	I129 T138 L139 L140 K144 S145 V146 S212 H213 C214	I129-T142 HydrophobicContact CD1-CG2 3.91Å; T138-T142 PolarHBondContact O-N 3.35Å; T138-T142 PolarHBondContact O-OG1 3.43Å; L139-T142 WeakPolarHBondContact O-CB 3.28Å; L139-T142 PolarHBondContact O-N 2.8Å; L140-T142 VanDerWaalsContact C-N 3.28Å; L140-T142 PolarHBondContact O-N 3.06Å; T142-K144 PolarHBondContact O-N 2.98Å; T142-S145 PolarHBondContact O-N 3.12Å; T142-S145 PolarHBondContact O-OG 2.87Å; T142-V146 WeakPolarHBondContact O-CG2 3.45Å; T142-V146 PolarHBondContact O-N 3.27Å; T142-V146 VanDerWaalsContact O-N 3.16Å; T142-S212 VanDerWaalsContact OG1-C 3.24Å; T142-S212 PolarHBondContact OG1-O 3.22Å; T142-S212 VanDerWaalsContact OG1-O 3.07Å; T142-H213 PolarHBondContact OG1-N 3.36Å; T142-C214 VanDerWaalsContact CA-O 3.22Å; T142-C214 WeakPolarHBondContact CA-O 3.45Å; T142-C214 WeakPolarHBondContact CB-O 3.31Å; T142-C214 HydrophobicContact CG2-CB 4.05Å; T142-C214 PolarHBondContact OG1-N 3.08Å; T142-C214 PolarHBondContact OG1-O 3.37Å
143	V	98.8	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-49.1	179.2	173.2	0	0	0	0	111.8	I129 L139 L140 S145 V146 L147 I158 L160 I177 V180	I129-V143 HydrophobicContact CD1-CG2 4.36Å; L139-V143 PolarHBondContact O-N 2.87Å; L139-V143 VanDerWaalsContact O-N 3.13Å; L140-V143 PolarHBondContact O-N 2.94Å; V143-S145 PolarHBondContact O-N 3.39Å; V143-V146 PolarHBondContact O-N 3.33Å; V143-L147 HydrophobicContact CG1-CD1 3.94Å; V143-L147 WeakPolarHBondContact O-CG 3.11Å; V143-L147 PolarHBondContact O-N 3.45Å; V143-L147 VanDerWaalsContact O-N 3.08Å; V143-I158 HydrophobicContact CG1-CD1 4.31Å; V143-L160 HydrophobicContact CG2-CD1 4.29Å; V143-L160 HydrophobicContact CG2-CD2 3.9Å; V143-I177 HydrophobicContact CG1-CD1 4.31Å; V143-V180 HydrophobicContact CG1-CG2 3.75Å
144	K	98.3	Very high	98.1	Very high	37 Å²	37	24.9 Å²	24.9	16%	0.161	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-39	179.9	-67.5	-166	99.3	-179.5	0	112.2	E70 P101 D102 L140 T142 V146 L147 N148	E70-K144 IonicContact OE2-NZ 3.64Å; E70-K144 PolarHBondContact OE2-NZ 2.98Å; P101-K144 HydrophobicContact CB-CD 3.47Å; P101-K144 VanDerWaalsContact CB-CD 3.47Å; P101-K144 HydrophobicContact CB-CG 4.4Å; D102-K144 WeakPolarHBondContact OD1-CD 3.43Å; D102-K144 WeakPolarHBondContact OD1-CE 3.22Å; D102-K144 IonicContact OD1-NZ 2.7Å; D102-K144 PolarHBondContact OD1-NZ 3.02Å; D102-K144 VanDerWaalsContact OD1-NZ 3.11Å; D102-K144 IonicContact OD2-NZ 2.65Å; D102-K144 PolarHBondContact OD2-NZ 2.81Å; L140-K144 HydrophobicContact CD1-CD 4.13Å; L140-K144 HydrophobicContact CD1-CG 3.91Å; L140-K144 HydrophobicContact CG-CD 4.19Å; L140-K144 HydrophobicContact CG-CG 4.25Å; L140-K144 WeakPolarHBondContact O-CG 3.45Å; L140-K144 PolarHBondContact O-N 2.87Å; T142-K144 PolarHBondContact O-N 2.98Å; K144-V146 VanDerWaalsContact C-N 3.29Å; K144-V146 PolarHBondContact O-N 3.22Å; K144-L147 PolarHBondContact O-N 3.42Å; K144-N148 VanDerWaalsContact O-CB 3.24Å; K144-N148 WeakPolarHBondContact O-CB 3.37Å; K144-N148 PolarHBondContact O-N 3.15Å; K144-N148 PolarHBondContact O-ND2 3.09Å
145	S	98.7	Very high	98.1	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.028	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-41.3	176.5	75.6	0	0	0	0	111.7	R141 T142 V143 R149 V216	R141-S145 VanDerWaalsContact O-CB 3.22Å; R141-S145 WeakPolarHBondContact O-CB 3.17Å; R141-S145 PolarHBondContact O-N 3.14Å; R141-S145 PolarHBondContact O-OG 3.22Å; T142-S145 PolarHBondContact O-N 3.12Å; T142-S145 PolarHBondContact O-OG 2.87Å; V143-S145 PolarHBondContact O-N 3.39Å; S145-R149 WeakPolarHBondContact O-CB 3.1Å; S145-R149 PolarHBondContact O-N 3.24Å; S145-R149 VanDerWaalsContact O-N 3.11Å; S145-V216 VanDerWaalsContact C-CG2 3.42Å; S145-V216 WeakPolarHBondContact O-CG2 3.46Å; S145-V216 PolarHBondContact OG-N 3.45Å
146	V	98.8	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-50.5	175.5	171.9	0	0	0	0	110.6	V127 T142 V143 K144 N148 T150 I155 I158 L210 V216 W220	V127-V146 HydrophobicContact CG2-CG1 4.16Å; T142-V146 WeakPolarHBondContact O-CG2 3.45Å; T142-V146 PolarHBondContact O-N 3.27Å; T142-V146 VanDerWaalsContact O-N 3.16Å; V143-V146 PolarHBondContact O-N 3.33Å; K144-V146 VanDerWaalsContact C-N 3.29Å; K144-V146 PolarHBondContact O-N 3.22Å; V146-N148 PolarHBondContact O-N 2.05Å; V146-T150 WeakPolarHBondContact O-CB 3.22Å; V146-T150 PolarHBondContact O-N 2.68Å; V146-T150 PolarHBondContact O-OG1 2.53Å; V146-I155 HydrophobicContact CG1-CD1 4.04Å; V146-I158 HydrophobicContact CB-CD1 4.25Å; V146-I158 HydrophobicContact CG1-CD1 3.81Å; V146-I158 HydrophobicContact CG1-CG1 4.34Å; V146-L210 HydrophobicContact CG2-CD1 3.53Å; V146-V216 HydrophobicContact CG2-CG1 4.06Å; V146-V216 HydrophobicContact CG2-CG2 4.41Å; V146-W220 HydrophobicContact CG2-CZ2 4.33Å
147	L	98.2	Very high	98.2	Very high	47 Å²	47	29 Å²	29	25%	0.246	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-41.8	-178.7	-69.3	169.4	0	0	0	112.7	V143 K144 I155 I158 I177	V143-L147 HydrophobicContact CG1-CD1 3.94Å; V143-L147 WeakPolarHBondContact O-CG 3.11Å; V143-L147 PolarHBondContact O-N 3.45Å; V143-L147 VanDerWaalsContact O-N 3.08Å; K144-L147 PolarHBondContact O-N 3.42Å; L147-I155 HydrophobicContact CD2-CD1 4.29Å; L147-I158 HydrophobicContact CD1-CD1 4.42Å; L147-I158 HydrophobicContact CD2-CD1 3.73Å; L147-I158 HydrophobicContact CG-CD1 3.78Å; L147-I177 HydrophobicContact CD1-CG2 3.42Å; L147-I177 VanDerWaalsContact CD1-CG2 3.42Å
148	N	97.5	Very high	98.2	Very high	94 Å²	94	28.9 Å²	28.9	50%	0.503	16%	0.158	S	C	.	.	H	α-helix	trans	-78.6	-26.9	-173.1	-66.4	-12.8	0	0	0	113.3	D102 K144 V146	D102-N148 PolarHBondContact OD1-ND2 2.75Å; K144-N148 VanDerWaalsContact O-CB 3.24Å; K144-N148 WeakPolarHBondContact O-CB 3.37Å; K144-N148 PolarHBondContact O-N 3.15Å; K144-N148 PolarHBondContact O-ND2 3.09Å; V146-N148 PolarHBondContact O-N 2.05Å
149	R	97.8	Very high	98.2	Very high	50 Å²	50	29 Å²	29	19%	0.189	16%	0.159	C	C	.	.	S	Bend	trans	-115.9	16.7	-171.6	-60.7	171.3	-174.8	156.1	6.4	113.4	R103 I105 S145 V216	R103-R149 PolarHBondContact O-NH2 2.85Å; I105-R149 VanDerWaalsContact CG1-NH1 3.33Å; S145-R149 WeakPolarHBondContact O-CB 3.1Å; S145-R149 PolarHBondContact O-N 3.24Å; S145-R149 VanDerWaalsContact O-N 3.11Å; R149-V216 HydrophobicContact CB-CG2 4.21Å; R149-V216 WeakPolarHBondContact CD-O 3.19Å; R149-V216 PolarHBondContact NH1-O 3.13Å
150	T	98.1	Very high	98.3	Very high	11 Å²	11	29 Å²	29	7%	0.067	16%	0.159	C	C	.	.	S	Bend	trans	-128.9	132.2	176.8	-48.1	0	0	0	0	109.5	V146 A152 L154 I155 W220 L221	V146-T150 WeakPolarHBondContact O-CB 3.22Å; V146-T150 PolarHBondContact O-N 2.68Å; V146-T150 PolarHBondContact O-OG1 2.53Å; T150-A152 PolarHBondContact O-N 3.15Å; T150-L154 HydrophobicContact CG2-CB 4.21Å; T150-I155 HydrophobicContact CG2-CD1 3.89Å; T150-I155 HydrophobicContact CG2-CG1 3.63Å; T150-W220 PolarHBondContact OG1-NE1 3.14Å; T150-L221 HydrophobicContact CG2-CB 4.22Å; T150-L221 HydrophobicContact CG2-CD2 3.46Å; T150-L221 VanDerWaalsContact CG2-CD2 3.46Å; T150-L221 HydrophobicContact CG2-CG 4.47Å
151	P	96.9	Very high	98.3	Very high	59 Å²	59	29 Å²	29	38%	0.383	16%	0.159	S	C	.	.			trans	-52.3	131.3	171.6	-27	34.6	0	0	0	111.6	N153 L154	P151-N153 VanDerWaalsContact CB-OD1 3.24Å; P151-N153 WeakPolarHBondContact CB-OD1 3.48Å; P151-N153 PolarHBondContact O-N 2.7Å; P151-N153 VanDerWaalsContact O-N 3.16Å; P151-L154 HydrophobicContact CB-CD1 4.1Å; P151-L154 HydrophobicContact CB-CG 4.17Å; P151-L154 HydrophobicContact CG-CD1 3.99Å; P151-L154 PolarHBondContact O-N 3.26Å
152	A	96.3	Very high	98.3	Very high	68 Å²	68	28.8 Å²	28.8	56%	0.562	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-59.2	-34.3	-171.2	0	0	0	0	0	112.7	T150 L154 I155 K179	T150-A152 PolarHBondContact O-N 3.15Å; A152-L154 PolarHBondContact O-N 2.98Å; A152-I155 PolarHBondContact O-N 3.37Å; A152-K179 PolarHBondContact O-NZ 2.93Å
153	N	97	Very high	98.2	Very high	113 Å²	113	29 Å²	29	60%	0.604	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-65.6	-21.4	177.1	63.7	-44.3	0	0	0	113.8	P151	P151-N153 VanDerWaalsContact CB-OD1 3.24Å; P151-N153 WeakPolarHBondContact CB-OD1 3.48Å; P151-N153 PolarHBondContact O-N 2.7Å; P151-N153 VanDerWaalsContact O-N 3.16Å
154	L	98.4	Very high	98.2	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-87.2	-14	179.2	-59.4	-179.7	0	0	0	113.2	L122 A124 T125 T150 P151 A152 L221 P222 L225	L122-L154 HydrophobicContact CB-CD2 3.71Å; L122-L154 HydrophobicContact CD1-CD1 4.5Å; A124-L154 CarbonylContact C-O 3.51Å; A124-L154 WeakPolarHBondContact CA-O 3.46Å; T125-L154 PolarHBondContact N-O 2.9Å; T150-L154 HydrophobicContact CG2-CB 4.21Å; P151-L154 HydrophobicContact CB-CD1 4.1Å; P151-L154 HydrophobicContact CB-CG 4.17Å; P151-L154 HydrophobicContact CG-CD1 3.99Å; P151-L154 PolarHBondContact O-N 3.26Å; A152-L154 PolarHBondContact O-N 2.98Å; L154-L221 HydrophobicContact CB-CD2 4.31Å; L154-P222 HydrophobicContact CD1-CG 4.13Å; L154-L225 HydrophobicContact CB-CD1 4.29Å; L154-L225 HydrophobicContact CD1-CD1 4.1Å; L154-L225 HydrophobicContact CD2-CD1 4.2Å; L154-L225 HydrophobicContact CG-CD1 4.43Å
155	I	98.4	Very high	98.1	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.9	174.8	-57.7	166.3	0	0	0	108.5	V146 L147 T150 A152 I158 K179	V146-I155 HydrophobicContact CG1-CD1 4.04Å; L147-I155 HydrophobicContact CD2-CD1 4.29Å; T150-I155 HydrophobicContact CG2-CD1 3.89Å; T150-I155 HydrophobicContact CG2-CG1 3.63Å; A152-I155 PolarHBondContact O-N 3.37Å; I155-I158 HydrophobicContact CG2-CG1 4.05Å; I155-K179 HydrophobicContact CB-CD 4.17Å; I155-K179 HydrophobicContact CG2-CD 3.84Å; I155-K179 PolarHBondContact O-NZ 3.39Å
156	Q	98.6	Very high	98	Very high	103 Å²	103	36.1 Å²	36.1	48%	0.481	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-48.8	169.4	-177.9	59.3	39.8	0	0	109.9	A124 T125 A203 A204	A124-Q156 HydrophobicContact CB-CB 4.22Å; T125-Q156 WeakPolarHBondContact O-CB 3.37Å; T125-Q156 PolarHBondContact O-N 2.87Å; Q156-A203 HydrophobicContact CG-CB 4.28Å; Q156-A204 HydrophobicContact CB-CB 3.85Å; Q156-A204 HydrophobicContact CG-CB 4.12Å
157	E	98.6	Very high	97.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	160.8	-176.7	60.5	-166.5	155	0	0	110.7	S126 V127 I159 K179 K181 A203	S126-E157 WeakPolarHBondContact OG-CG 3.42Å; S126-E157 PolarHBondContact OG-OE1 3.26Å; V127-E157 PolarHBondContact N-O 2.86Å; E157-I159 HydrophobicContact CG-CD1 4.11Å; E157-I159 HydrophobicContact CG-CG1 3.98Å; E157-K179 WeakPolarHBondContact CA-O 3.25Å; E157-K181 VanDerWaalsContact OE2-CD 3.31Å; E157-K181 WeakPolarHBondContact OE2-CD 3.26Å; E157-K181 WeakPolarHBondContact OE2-CE 3.41Å; E157-K181 IonicContact OE2-NZ 3.48Å; E157-K181 PolarHBondContact OE2-NZ 2.69Å; E157-A203 WeakPolarHBondContact OE1-CB 3.12Å; E157-A203 PolarHBondContact OE1-N 3.13Å
158	I	98.9	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.5	169	-56.7	176.7	0	0	0	107.2	V127 I129 V143 V146 L147 I155 L160 K179 V180 K181	V127-I158 HydrophobicContact CB-CG1 4.25Å; V127-I158 CarbonylContact O-C 3.57Å; V127-I158 WeakPolarHBondContact O-CA 3.48Å; I129-I158 HydrophobicContact CD1-CG2 3.92Å; V143-I158 HydrophobicContact CG1-CD1 4.31Å; V146-I158 HydrophobicContact CB-CD1 4.25Å; V146-I158 HydrophobicContact CG1-CD1 3.81Å; V146-I158 HydrophobicContact CG1-CG1 4.34Å; L147-I158 HydrophobicContact CD1-CD1 4.42Å; L147-I158 HydrophobicContact CD2-CD1 3.73Å; L147-I158 HydrophobicContact CG-CD1 3.78Å; I155-I158 HydrophobicContact CG2-CG1 4.05Å; I158-L160 HydrophobicContact CG2-CD2 3.98Å; I158-K179 PolarHBondContact N-O 3.48Å; I158-V180 HydrophobicContact CB-CG2 4.32Å; I158-V180 HydrophobicContact CD1-CG2 4.47Å; I158-V180 CarbonylContact O-C 3.57Å; I158-V180 WeakPolarHBondContact O-CA 3.4Å; I158-K181 PolarHBondContact O-N 3.38Å
159	I	98.9	Very high	97.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	105.7	-179.1	-56.6	163.1	0	0	0	107.7	V127 I128 I129 E157 V161 L183 V201 A202	V127-I159 PolarHBondContact O-N 2.78Å; I128-I159 WeakPolarHBondContact CA-O 3.37Å; I128-I159 HydrophobicContact CG1-CB 4.47Å; I128-I159 HydrophobicContact CG1-CD1 4.33Å; I129-I159 PolarHBondContact N-O 3.2Å; E157-I159 HydrophobicContact CG-CD1 4.11Å; E157-I159 HydrophobicContact CG-CG1 3.98Å; I159-V161 HydrophobicContact CG2-CG2 4.01Å; I159-L183 HydrophobicContact CG2-CB 4.35Å; I159-V201 HydrophobicContact CD1-CG2 4.18Å; I159-V201 HydrophobicContact CG2-CG2 4.24Å; I159-A202 HydrophobicContact CD1-CB 3.91Å
160	L	98.9	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.4	170.7	-56	-174.9	0	0	0	108.3	I129 F131 V143 I158 L174 V180 K181 L183	I129-L160 HydrophobicContact CB-CD2 3.78Å; I129-L160 HydrophobicContact CD1-CD2 3.92Å; I129-L160 HydrophobicContact CG1-CD2 4.28Å; I129-L160 HydrophobicContact CG2-CD2 4.31Å; I129-L160 CarbonylContact O-C 3.49Å; I129-L160 WeakPolarHBondContact O-CA 3.02Å; F131-L160 HydrophobicContact CE1-CB 4.15Å; V143-L160 HydrophobicContact CG2-CD1 4.29Å; V143-L160 HydrophobicContact CG2-CD2 3.9Å; I158-L160 HydrophobicContact CG2-CD2 3.98Å; L160-L174 HydrophobicContact CD1-CB 3.84Å; L160-L174 HydrophobicContact CD1-CD1 3.46Å; L160-L174 VanDerWaalsContact CD1-CD1 3.46Å; L160-L174 HydrophobicContact CD1-CG 4.3Å; L160-V180 HydrophobicContact CD1-CG1 3.64Å; L160-V180 HydrophobicContact CG-CG1 3.88Å; L160-K181 PolarHBondContact N-O 3.14Å; L160-L183 PolarHBondContact O-N 3.44Å
161	V	98.8	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	101.4	175	-168.1	0	0	0	0	108.7	I128 I129 T130 F131 I159 D163 L183	I128-V161 HydrophobicContact CG2-CG2 4.13Å; I129-V161 PolarHBondContact O-N 2.71Å; T130-V161 WeakPolarHBondContact CA-O 3.25Å; T130-V161 HydrophobicContact CG2-CB 4.03Å; T130-V161 HydrophobicContact CG2-CG2 4.33Å; F131-V161 PolarHBondContact N-O 3.32Å; I159-V161 HydrophobicContact CG2-CG2 4.01Å; V161-D163 PolarHBondContact O-N 3.15Å; V161-L183 CarbonylContact C-O 3.42Å; V161-L183 VanDerWaalsContact CA-O 3.24Å; V161-L183 WeakPolarHBondContact CA-O 3.48Å; V161-L183 HydrophobicContact CG1-CD2 4.31Å; V161-L183 HydrophobicContact CG1-CG 4.47Å; V161-L183 HydrophobicContact CG2-CD2 4.17Å
162	D	98.7	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	104.7	176.5	175.8	10.1	0	0	0	109.6	F131 F164 S165 C171 L183 R184 N185	F131-D162 HydrophobicContact CE1-CB 3.76Å; F131-D162 HydrophobicContact CE2-CB 4.38Å; F131-D162 HydrophobicContact CZ-CB 3.69Å; D162-F164 PolarHBondContact O-N 2.87Å; D162-F164 PolarHBondContact OD1-N 2.9Å; D162-S165 WeakPolarHBondContact OD1-CB 3.25Å; D162-S165 PolarHBondContact OD1-N 2.75Å; D162-S165 PolarHBondContact OD1-OG 3.46Å; D162-C171 HydrophobicContact CB-CB 3.86Å; D162-L183 PolarHBondContact N-O 2.71Å; D162-R184 HydrophobicContact CB-CB 4.2Å; D162-R184 HydrophobicContact CB-CG 4.23Å; D162-R184 WeakPolarHBondContact O-CA 3.48Å; D162-R184 IonicContact OD1-NH1 2.9Å; D162-R184 IonicContact OD2-CZ 2.67Å; D162-R184 IonicContact OD2-NH1 3.44Å; D162-R184 PolarHBondContact OD2-NH1 2.9Å; D162-N185 PolarHBondContact O-N 3.16Å
163	D	98.1	Very high	97.6	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.171	C	C	.	.			trans	-81.8	63.6	-179.9	-174.3	28.5	0	0	0	110.9	F131 H132 V161 N185 R188 E189 G190 S194	F131-D163 WeakPolarHBondContact O-CB 3.36Å; F131-D163 PolarHBondContact O-N 3Å; H132-D163 HydrophobicContact CB-CB 4.33Å; H132-D163 PolarHBondContact ND1-O 2.65Å; V161-D163 PolarHBondContact O-N 3.15Å; D163-N185 PolarHBondContact OD1-ND2 3.16Å; D163-R188 WeakPolarHBondContact O-CD 3.42Å; D163-R188 IonicContact OD1-NE 2.83Å; D163-R188 WeakPolarHBondContact OD2-CD 3.43Å; D163-R188 IonicContact OD2-CZ 2.87Å; D163-R188 IonicContact OD2-NE 2.73Å; D163-R188 PolarHBondContact OD2-NE 2.82Å; D163-R188 IonicContact OD2-NH2 2.72Å; D163-E189 PolarHBondContact OD1-N 3.38Å; D163-G190 VanDerWaalsContact CG-N 3.35Å; D163-G190 PolarHBondContact OD1-N 2.82Å; D163-G190 VanDerWaalsContact OD1-N 3.17Å; D163-G190 VanDerWaalsContact OD2-C 3.3Å; D163-G190 WeakPolarHBondContact OD2-CA 3.32Å; D163-G190 PolarHBondContact OD2-N 3.4Å; D163-S194 WeakPolarHBondContact CB-OG 3.45Å; D163-S194 PolarHBondContact OD1-OG 2.81Å
164	F	97.4	Very high	97.6	Very high	91 Å²	91	26.7 Å²	26.7	40%	0.399	14%	0.142	S	C	.	.	S	Bend	trans	58.4	50.5	175.3	-165.8	-111.7	0	0	0	113.3	H132 D162 D186 R187 R188	H132-F164 PolarHBondContact CE1-O 3.46Å; H132-F164 PolarHBondContact ND1-O 3.46Å; D162-F164 PolarHBondContact O-N 2.87Å; D162-F164 PolarHBondContact OD1-N 2.9Å; F164-D186 WeakPolarHBondContact CD2-O 3.43Å; F164-D186 WeakPolarHBondContact CE2-O 3.41Å; F164-R187 WeakPolarHBondContact CB-O 3.34Å; F164-R188 HydrophobicContact CB-CB 4.33Å; F164-R188 HydrophobicContact CD1-CB 4.2Å
165	S	97.6	Very high	97.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.			trans	-62.1	152.3	169.9	-56.2	0	0	0	0	110.7	H132 N133 D162 D167 R184	H132-S165 WeakPolarHBondContact CA-OG 3.42Å; N133-S165 PolarHBondContact N-OG 3.09Å; N133-S165 WeakPolarHBondContact OD1-CA 3.34Å; N133-S165 WeakPolarHBondContact OD1-CB 3.35Å; D162-S165 WeakPolarHBondContact OD1-CB 3.25Å; D162-S165 PolarHBondContact OD1-N 2.75Å; D162-S165 PolarHBondContact OD1-OG 3.46Å; S165-D167 PolarHBondContact O-N 3.02Å; S165-R184 PolarHBondContact O-NH1 3.39Å; S165-R184 PolarHBondContact O-NH2 3.02Å
166	S	96.3	Very high	97.4	Very high	101 Å²	101	32 Å²	32	71%	0.706	16%	0.163	S	C	*	.	S	Bend	trans	-63.4	-28.7	179.6	54.4	0	0	0	0	112.7	N133	N133-S166 PolarHBondContact OD1-N 2.8Å; N133-S166 PolarHBondContact OD1-OG 3.21Å
167	D	96.7	Very high	97.2	Very high	37 Å²	37	28 Å²	28	20%	0.198	15%	0.145	C	C	.	.			trans	-118	112.6	177.4	179.6	7.7	0	0	0	110.3	K77 R136 S165 E169 D170	K77-D167 WeakPolarHBondContact CE-OD2 3.26Å; K77-D167 IonicContact NZ-OD2 3.08Å; K77-D167 PolarHBondContact NZ-OD2 3.38Å; R136-D167 IonicContact CZ-OD2 3.08Å; R136-D167 IonicContact NH2-OD2 3.05Å; R136-D167 PolarHBondContact NH2-OD2 2.95Å; S165-D167 PolarHBondContact O-N 3.02Å; D167-E169 PolarHBondContact O-N 3.08Å; D167-E169 VanDerWaalsContact OD1-CB 3.27Å; D167-E169 WeakPolarHBondContact OD1-CB 3.35Å; D167-E169 PolarHBondContact OD1-N 2.93Å; D167-D170 PolarHBondContact O-N 3.39Å
168	P	95.8	Very high	97.1	Very high	45 Å²	45	32.4 Å²	32.4	29%	0.292	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.1	178.2	29.3	-35.1	0	0	0	113.2	D170 C171 L172	P168-D170 PolarHBondContact O-N 3.21Å; P168-C171 PolarHBondContact O-N 3.36Å; P168-C171 VanDerWaalsContact O-N 3.13Å; P168-L172 HydrophobicContact CB-CD1 4Å; P168-L172 WeakPolarHBondContact O-CG 3.33Å; P168-L172 PolarHBondContact O-N 2.59Å
169	E	96.8	Very high	97	Very high	75 Å²	75	36.4 Å²	36.4	35%	0.35	19%	0.191	S	C	.	.	H	α-helix	trans	-69.1	-19.3	-178.3	-64.1	-60.3	118.6	0	0	112.8	D167 C171 L172 L173	D167-E169 PolarHBondContact O-N 3.08Å; D167-E169 VanDerWaalsContact OD1-CB 3.27Å; D167-E169 WeakPolarHBondContact OD1-CB 3.35Å; D167-E169 PolarHBondContact OD1-N 2.93Å; E169-C171 PolarHBondContact O-N 3.32Å; E169-L172 WeakPolarHBondContact OE1-CD1 3.03Å; E169-L173 HydrophobicContact CB-CD1 3.94Å; E169-L173 HydrophobicContact CB-CG 4.12Å; E169-L173 WeakPolarHBondContact O-CB 3.13Å; E169-L173 WeakPolarHBondContact O-CG 3.41Å; E169-L173 PolarHBondContact O-N 2.92Å; E169-L173 VanDerWaalsContact OE2-CD2 3.32Å; E169-L173 WeakPolarHBondContact OE2-CD2 3.29Å; E169-L173 WeakPolarHBondContact OE2-CG 3.37Å
170	D	96.5	Very high	96.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-32.2	171.9	-69	-18.4	0	0	0	111.6	Y73 K77 F131 R136 D167 P168 L174	Y73-D170 PolarHBondContact OH-O 3.4Å; K77-D170 WeakPolarHBondContact CE-OD1 3.27Å; K77-D170 IonicContact NZ-OD1 3.52Å; K77-D170 PolarHBondContact NZ-OD1 3.35Å; K77-D170 IonicContact NZ-OD2 2.64Å; K77-D170 PolarHBondContact NZ-OD2 2.83Å; F131-D170 HydrophobicContact CE2-CB 4.01Å; F131-D170 HydrophobicContact CZ-CB 4.35Å; R136-D170 IonicContact CZ-OD1 2.95Å; R136-D170 IonicContact NE-OD1 3.95Å; R136-D170 PolarHBondContact NE-OD1 2.74Å; R136-D170 IonicContact NH2-OD1 2.71Å; R136-D170 PolarHBondContact NH2-OD1 3.08Å; D167-D170 PolarHBondContact O-N 3.39Å; P168-D170 PolarHBondContact O-N 3.21Å; D170-L174 VanDerWaalsContact O-CD1 3.32Å; D170-L174 WeakPolarHBondContact O-CD1 3.46Å
171	C	96.1	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-96.9	-48.3	177.7	-165.6	0	0	0	0	112	F131 D162 P168 E169 L173 L174 C182	F131-C171 HydrophobicContact CE1-CB 4.17Å; F131-C171 HydrophobicContact CZ-CB 3.72Å; D162-C171 HydrophobicContact CB-CB 3.86Å; P168-C171 PolarHBondContact O-N 3.36Å; P168-C171 VanDerWaalsContact O-N 3.13Å; E169-C171 PolarHBondContact O-N 3.32Å; C171-L173 PolarHBondContact O-N 3.45Å; C171-L174 PolarHBondContact O-N 3.19Å; C171-C182 HydrophobicContact CB-CB 4.14Å; C171-C182 WeakPolarHBondContact CB-SG 3.4Å; C171-C182 VanDerWaalsContact SG-CA 3.51Å; C171-C182 WeakPolarHBondContact SG-CB 3.17Å; C171-C182 CovalentContact SG-SG 2.02Å; C171-C182 PolarHBondContact SG-SG 2.67Å
172	L	95.9	Very high	96.9	Very high	50 Å²	50	39.6 Å²	39.6	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-40	-168.9	-68.7	172.7	0	0	0	112.4	V60 P168 E169 L174 T175 C182	V60-L172 HydrophobicContact CB-CD2 4.04Å; V60-L172 HydrophobicContact CG1-CD2 4.14Å; V60-L172 HydrophobicContact CG2-CD2 3.86Å; P168-L172 HydrophobicContact CB-CD1 4Å; P168-L172 WeakPolarHBondContact O-CG 3.33Å; P168-L172 PolarHBondContact O-N 2.59Å; E169-L172 WeakPolarHBondContact OE1-CD1 3.03Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.1Å; L172-T175 WeakPolarHBondContact O-CB 3.16Å; L172-T175 WeakPolarHBondContact O-CG2 3.47Å; L172-T175 PolarHBondContact O-N 3.31Å; L172-T175 PolarHBondContact O-OG1 3.36Å; L172-C182 HydrophobicContact CD2-CB 4.47Å
173	L	96.4	Very high	96.8	Very high	34 Å²	34	39.6 Å²	39.6	18%	0.178	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-66	-31	180	-66.4	175.6	0	0	0	112.4	F68 Y73 E169 C171 T175 R176	F68-L173 WeakPolarHBondContact CD2-O 3.16Å; F68-L173 HydrophobicContact CE2-CB 4.48Å; Y73-L173 HydrophobicContact CD2-CB 3.94Å; Y73-L173 HydrophobicContact CD2-CD1 3.91Å; Y73-L173 HydrophobicContact CE2-CB 4.22Å; Y73-L173 HydrophobicContact CE2-CD1 4.47Å; E169-L173 HydrophobicContact CB-CD1 3.94Å; E169-L173 HydrophobicContact CB-CG 4.12Å; E169-L173 WeakPolarHBondContact O-CB 3.13Å; E169-L173 WeakPolarHBondContact O-CG 3.41Å; E169-L173 PolarHBondContact O-N 2.92Å; E169-L173 VanDerWaalsContact OE2-CD2 3.32Å; E169-L173 WeakPolarHBondContact OE2-CD2 3.29Å; E169-L173 WeakPolarHBondContact OE2-CG 3.37Å; C171-L173 PolarHBondContact O-N 3.45Å; L173-T175 PolarHBondContact O-N 2.85Å; L173-R176 PolarHBondContact O-N 3.14Å
174	L	96.9	Very high	96.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-69.3	-17.1	178.2	-63.8	177.8	0	0	0	112.7	F68 Y73 L139 L140 L160 D170 C171 L172 R176 I177 V180	F68-L174 HydrophobicContact CE1-CD2 4.44Å; F68-L174 HydrophobicContact CE2-CD2 3.76Å; F68-L174 HydrophobicContact CZ-CD2 3.59Å; Y73-L174 HydrophobicContact CE1-CD2 4.04Å; Y73-L174 HydrophobicContact CE2-CD2 4.21Å; Y73-L174 HydrophobicContact CE2-CG 4.2Å; L139-L174 HydrophobicContact CD2-CD1 3.73Å; L139-L174 HydrophobicContact CG-CD1 3.84Å; L140-L174 HydrophobicContact CD1-CD2 3.77Å; L160-L174 HydrophobicContact CD1-CB 3.84Å; L160-L174 HydrophobicContact CD1-CD1 3.46Å; L160-L174 VanDerWaalsContact CD1-CD1 3.46Å; L160-L174 HydrophobicContact CD1-CG 4.3Å; D170-L174 VanDerWaalsContact O-CD1 3.32Å; D170-L174 WeakPolarHBondContact O-CD1 3.46Å; C171-L174 PolarHBondContact O-N 3.19Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.1Å; L174-R176 PolarHBondContact O-N 2.63Å; L174-R176 VanDerWaalsContact O-N 3.13Å; L174-I177 HydrophobicContact CD2-CD1 3.78Å; L174-I177 VanDerWaalsContact O-CB 3.3Å; L174-I177 WeakPolarHBondContact O-CB 3.33Å; L174-I177 PolarHBondContact O-N 2.87Å; L174-V180 HydrophobicContact CB-CG1 4.16Å; L174-V180 WeakPolarHBondContact O-CB 3.47Å; L174-V180 WeakPolarHBondContact O-CG1 3.19Å
175	T	97	Very high	96.8	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.08	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-65.5	-12.7	174.9	68.6	0	0	0	0	113.8	V60 L172 L173 C182	V60-T175 HydrophobicContact CG1-CG2 4.45Å; V60-T175 WeakPolarHBondContact O-CG2 3.33Å; L172-T175 WeakPolarHBondContact O-CB 3.16Å; L172-T175 WeakPolarHBondContact O-CG2 3.47Å; L172-T175 PolarHBondContact O-N 3.31Å; L172-T175 PolarHBondContact O-OG1 3.36Å; L173-T175 PolarHBondContact O-N 2.85Å; T175-C182 HydrophobicContact CG2-CB 3.4Å; T175-C182 VanDerWaalsContact CG2-CB 3.4Å
176	R	95.8	Very high	96.8	Very high	112 Å²	112	44.4 Å²	44.4	42%	0.423	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-75.3	-13.8	171.5	-59.7	-176.6	-173.9	179.2	5.6	112.7	F68 L173 L174	F68-R176 HydrophobicContact CB-CB 4.12Å; F68-R176 HydrophobicContact CD2-CB 4.42Å; L173-R176 PolarHBondContact O-N 3.14Å; L174-R176 PolarHBondContact O-N 2.63Å; L174-R176 VanDerWaalsContact O-N 3.13Å
177	I	96.1	Very high	96.7	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.087	23%	0.228	C	C	.	.	S	Bend	trans	-81.8	131.3	173.5	-57.2	174.8	0	0	0	108.2	F68 L140 V143 L147 L174 K179 V180	F68-I177 HydrophobicContact CB-CG1 3.81Å; F68-I177 HydrophobicContact CD1-CD1 3.86Å; F68-I177 HydrophobicContact CD1-CG1 3.85Å; F68-I177 HydrophobicContact CD2-CD1 4.35Å; F68-I177 HydrophobicContact CD2-CG1 4.03Å; F68-I177 HydrophobicContact CE1-CD1 3.97Å; F68-I177 HydrophobicContact CE1-CG1 4.44Å; F68-I177 HydrophobicContact CE2-CD1 4.46Å; F68-I177 HydrophobicContact CG-CD1 4.05Å; F68-I177 HydrophobicContact CG-CG1 3.62Å; F68-I177 HydrophobicContact CZ-CD1 4.27Å; L140-I177 HydrophobicContact CD1-CD1 3.75Å; V143-I177 HydrophobicContact CG1-CD1 4.31Å; L147-I177 HydrophobicContact CD1-CG2 3.42Å; L147-I177 VanDerWaalsContact CD1-CG2 3.42Å; L174-I177 HydrophobicContact CD2-CD1 3.78Å; L174-I177 VanDerWaalsContact O-CB 3.3Å; L174-I177 WeakPolarHBondContact O-CB 3.33Å; L174-I177 PolarHBondContact O-N 2.87Å; I177-K179 PolarHBondContact O-N 3.15Å; I177-V180 HydrophobicContact CB-CB 4.3Å; I177-V180 HydrophobicContact CB-CG2 3.78Å; I177-V180 HydrophobicContact CG2-CG2 3.83Å; I177-V180 WeakPolarHBondContact O-CB 3.45Å; I177-V180 PolarHBondContact O-N 3.42Å
178	P	95.1	Very high	96.7	Very high	98 Å²	98	48.7 Å²	48.7	64%	0.636	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	141.4	178.5	-27.5	35.1	0	0	0	112.7	V180	P178-V180 PolarHBondContact O-N 2.85Å
179	K	96.5	Very high	96.7	Very high	83 Å²	83	48.3 Å²	48.3	36%	0.361	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-5	-178.4	-51.3	-170.5	174.5	-163	0	116.1	A152 I155 E157 I158 I177	A152-K179 PolarHBondContact O-NZ 2.93Å; I155-K179 HydrophobicContact CB-CD 4.17Å; I155-K179 HydrophobicContact CG2-CD 3.84Å; I155-K179 PolarHBondContact O-NZ 3.39Å; E157-K179 WeakPolarHBondContact CA-O 3.25Å; I158-K179 PolarHBondContact N-O 3.48Å; I177-K179 PolarHBondContact O-N 3.15Å
180	V	98.3	Very high	96.6	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.9	179.8	-177.5	0	0	0	0	110.6	V143 I158 L160 L174 I177 P178	V143-V180 HydrophobicContact CG1-CG2 3.75Å; I158-V180 HydrophobicContact CB-CG2 4.32Å; I158-V180 HydrophobicContact CD1-CG2 4.47Å; I158-V180 CarbonylContact O-C 3.57Å; I158-V180 WeakPolarHBondContact O-CA 3.4Å; L160-V180 HydrophobicContact CD1-CG1 3.64Å; L160-V180 HydrophobicContact CG-CG1 3.88Å; L174-V180 HydrophobicContact CB-CG1 4.16Å; L174-V180 WeakPolarHBondContact O-CB 3.47Å; L174-V180 WeakPolarHBondContact O-CG1 3.19Å; I177-V180 HydrophobicContact CB-CB 4.3Å; I177-V180 HydrophobicContact CB-CG2 3.78Å; I177-V180 HydrophobicContact CG2-CG2 3.83Å; I177-V180 WeakPolarHBondContact O-CB 3.45Å; I177-V180 PolarHBondContact O-N 3.42Å; P178-V180 PolarHBondContact O-N 2.85Å
181	K	98.3	Very high	96.6	Very high	62 Å²	62	45.7 Å²	45.7	27%	0.27	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.1	174	-61.3	-173.5	177.5	173.7	0	109.5	I59 T61 E157 I158 L160	I59-K181 HydrophobicContact CG2-CB 4.23Å; I59-K181 HydrophobicContact CG2-CD 4.09Å; T61-K181 HydrophobicContact CG2-CD 4.35Å; T61-K181 HydrophobicContact CG2-CG 4.24Å; E157-K181 VanDerWaalsContact OE2-CD 3.31Å; E157-K181 WeakPolarHBondContact OE2-CD 3.26Å; E157-K181 WeakPolarHBondContact OE2-CE 3.41Å; E157-K181 IonicContact OE2-NZ 3.48Å; E157-K181 PolarHBondContact OE2-NZ 2.69Å; I158-K181 PolarHBondContact O-N 3.38Å; L160-K181 PolarHBondContact N-O 3.14Å
182	C	98.1	Very high	96.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.3	172.9	179.6	0	0	0	0	110.5	V60 C171 L172 T175	V60-C182 PolarHBondContact N-O 3.01Å; V60-C182 VanDerWaalsContact N-O 3.11Å; V60-C182 PolarHBondContact O-N 3.13Å; C171-C182 HydrophobicContact CB-CB 4.14Å; C171-C182 WeakPolarHBondContact CB-SG 3.4Å; C171-C182 VanDerWaalsContact SG-CA 3.51Å; C171-C182 WeakPolarHBondContact SG-CB 3.17Å; C171-C182 CovalentContact SG-SG 2.02Å; C171-C182 PolarHBondContact SG-SG 2.67Å; L172-C182 HydrophobicContact CD2-CB 4.47Å; T175-C182 HydrophobicContact CG2-CB 3.4Å; T175-C182 VanDerWaalsContact CG2-CB 3.4Å
183	L	98.3	Very high	96.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	101.6	173.3	180	65.8	0	0	0	109	P57 I59 I159 L160 V161 D162 R197 V201	P57-L183 HydrophobicContact CB-CD1 3.87Å; I59-L183 HydrophobicContact CG1-CD1 4.05Å; I159-L183 HydrophobicContact CG2-CB 4.35Å; L160-L183 PolarHBondContact O-N 3.44Å; V161-L183 CarbonylContact C-O 3.42Å; V161-L183 VanDerWaalsContact CA-O 3.24Å; V161-L183 WeakPolarHBondContact CA-O 3.48Å; V161-L183 HydrophobicContact CG1-CD2 4.31Å; V161-L183 HydrophobicContact CG1-CG 4.47Å; V161-L183 HydrophobicContact CG2-CD2 4.17Å; D162-L183 PolarHBondContact N-O 2.71Å; L183-R197 HydrophobicContact CD2-CB 4.27Å; L183-R197 HydrophobicContact CD2-CG 3.8Å; L183-V201 HydrophobicContact CD2-CG2 3.92Å
184	R	97.6	Very high	96.7	Very high	61 Å²	61	44.5 Å²	44.5	23%	0.23	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.4	-177.1	179.9	173.6	169.8	90.9	0.3	112	D162 S165 R197	D162-R184 HydrophobicContact CB-CB 4.2Å; D162-R184 HydrophobicContact CB-CG 4.23Å; D162-R184 WeakPolarHBondContact O-CA 3.48Å; D162-R184 IonicContact OD1-NH1 2.9Å; D162-R184 IonicContact OD2-CZ 2.67Å; D162-R184 IonicContact OD2-NH1 3.44Å; D162-R184 PolarHBondContact OD2-NH1 2.9Å; S165-R184 PolarHBondContact O-NH1 3.39Å; S165-R184 PolarHBondContact O-NH2 3.02Å; R184-R197 PolarHBondContact O-NH1 3.04Å; R184-R197 PolarHBondContact O-NH2 2.94Å
185	N	97.8	Very high	96.8	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.032	20%	0.202	C	C	.	.			trans	-77.4	139.7	170.7	-63.4	-21.1	0	0	0	110.4	D162 D163 R187 E189 S194 R197	D162-N185 PolarHBondContact O-N 3.16Å; D163-N185 PolarHBondContact OD1-ND2 3.16Å; N185-R187 VanDerWaalsContact CB-O 3.28Å; N185-R187 WeakPolarHBondContact CB-O 3.07Å; N185-R187 PolarHBondContact O-N 2.76Å; N185-E189 HydrophobicContact CB-CG 4.37Å; N185-S194 PolarHBondContact ND2-OG 3.41Å; N185-R197 VanDerWaalsContact CA-NH1 3.28Å; N185-R197 VanDerWaalsContact OD1-CD 3.3Å; N185-R197 WeakPolarHBondContact OD1-CD 3.45Å; N185-R197 PolarHBondContact OD1-NH1 3.09Å
186	D	96	Very high	96.9	Very high	129 Å²	129	45 Å²	45	69%	0.69	20%	0.204	S	C	*	.	S	Bend	trans	-79.5	-9.4	179.9	-56.6	-44.2	0	0	0	113.1	F164	F164-D186 WeakPolarHBondContact CD2-O 3.43Å; F164-D186 WeakPolarHBondContact CE2-O 3.41Å
187	R	95.6	Very high	97	Very high	167 Å²	167	42.2 Å²	42.2	63%	0.63	19%	0.193	S	C	*	.	S	Bend	trans	-150.5	166	173.2	65.8	-176.9	-177.9	-159.4	-4.8	109.9	F164 N185 E189	F164-R187 WeakPolarHBondContact CB-O 3.34Å; N185-R187 VanDerWaalsContact CB-O 3.28Å; N185-R187 WeakPolarHBondContact CB-O 3.07Å; N185-R187 PolarHBondContact O-N 2.76Å; R187-E189 HydrophobicContact CG-CG 4.31Å; R187-E189 IonicContact CZ-OE1 2.8Å; R187-E189 VanDerWaalsContact CZ-OE1 3.3Å; R187-E189 IonicContact NE-OE1 2.66Å; R187-E189 PolarHBondContact NE-OE1 2.95Å; R187-E189 IonicContact NH2-OE1 2.75Å; R187-E189 PolarHBondContact NH2-OE1 3.12Å; R187-E189 PolarHBondContact O-N 3.47Å; R187-E189 VanDerWaalsContact O-N 3.15Å
188	R	95.5	Very high	97.1	Very high	60 Å²	60	41.4 Å²	41.4	23%	0.226	19%	0.189	C	C	.	.			trans	-70.4	109.4	177.7	-171.5	68	-168.4	-92.5	7.3	110.8	H132 D163 F164 I316	H132-R188 VanDerWaalsContact CD2-CZ 3.44Å; H132-R188 PolarHBondContact CD2-NH1 3.41Å; H132-R188 PolarHBondContact CE1-NH1 2.86Å; H132-R188 WeakPolarHBondContact ND1-CD 3.26Å; H132-R188 PolarHBondContact ND1-NH1 2.82Å; H132-R188 PolarHBondContact NE2-NH1 2.99Å; D163-R188 WeakPolarHBondContact O-CD 3.42Å; D163-R188 IonicContact OD1-NE 2.83Å; D163-R188 WeakPolarHBondContact OD2-CD 3.43Å; D163-R188 IonicContact OD2-CZ 2.87Å; D163-R188 IonicContact OD2-NE 2.73Å; D163-R188 PolarHBondContact OD2-NE 2.82Å; D163-R188 IonicContact OD2-NH2 2.72Å; F164-R188 HydrophobicContact CB-CB 4.33Å; F164-R188 HydrophobicContact CD1-CB 4.2Å; R188-I316 HydrophobicContact CG-CD1 4.07Å
189	E	96.1	Very high	97.3	Very high	37 Å²	37	36.8 Å²	36.8	17%	0.173	16%	0.159	C	C	.	.			trans	-101.4	-24	-177.9	-70.2	-67.9	-179.6	0	0	112.6	D163 N185 R187 R193	D163-E189 PolarHBondContact OD1-N 3.38Å; N185-E189 HydrophobicContact CB-CG 4.37Å; R187-E189 HydrophobicContact CG-CG 4.31Å; R187-E189 IonicContact CZ-OE1 2.8Å; R187-E189 VanDerWaalsContact CZ-OE1 3.3Å; R187-E189 IonicContact NE-OE1 2.66Å; R187-E189 PolarHBondContact NE-OE1 2.95Å; R187-E189 IonicContact NH2-OE1 2.75Å; R187-E189 PolarHBondContact NH2-OE1 3.12Å; R187-E189 PolarHBondContact O-N 3.47Å; R187-E189 VanDerWaalsContact O-N 3.15Å; E189-R193 HydrophobicContact CB-CB 3.96Å; E189-R193 PolarHBondContact O-NE 3.02Å; E189-R193 PolarHBondContact O-NH2 3.42Å; E189-R193 WeakPolarHBondContact OE2-CD 3.21Å; E189-R193 IonicContact OE2-CZ 3.27Å; E189-R193 IonicContact OE2-NE 3.69Å; E189-R193 PolarHBondContact OE2-NE 3.26Å; E189-R193 IonicContact OE2-NH2 3.64Å
190	G	95.7	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	91.1	167.9	-174.7	0	0	0	0	0	113.2	D163 I192 S194	D163-G190 VanDerWaalsContact CG-N 3.35Å; D163-G190 PolarHBondContact OD1-N 2.82Å; D163-G190 VanDerWaalsContact OD1-N 3.17Å; D163-G190 VanDerWaalsContact OD2-C 3.3Å; D163-G190 WeakPolarHBondContact OD2-CA 3.32Å; D163-G190 PolarHBondContact OD2-N 3.4Å; G190-I192 VanDerWaalsContact C-N 3.29Å; G190-I192 PolarHBondContact O-N 2.82Å; G190-S194 WeakPolarHBondContact O-CB 3.47Å; G190-S194 PolarHBondContact O-N 3.41Å; G190-S194 VanDerWaalsContact O-N 3.09Å; G190-S194 PolarHBondContact O-OG 2.9Å
191	L	94.8	Very high	97.4	Very high	22 Å²	22	38 Å²	38	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-39.8	-174.9	91.3	91	0	0	0	111.5	S194 R195 I316 W317 E320	L191-S194 PolarHBondContact O-N 2.74Å; L191-R195 HydrophobicContact CD1-CG 4.49Å; L191-R195 WeakPolarHBondContact O-CB 3.29Å; L191-R195 WeakPolarHBondContact O-CG 3.46Å; L191-R195 PolarHBondContact O-N 3.08Å; L191-I316 PolarHBondContact N-O 3.1Å; L191-W317 HydrophobicContact CD2-CB 3.83Å; L191-W317 HydrophobicContact CD2-CG 3.8Å; L191-E320 HydrophobicContact CD1-CG 4.22Å
192	I	95.9	Very high	97.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-55.8	-171.9	-66.8	113.1	0	0	0	110.2	G190 S194 R195 V196 Y310 M314 E320	G190-I192 VanDerWaalsContact C-N 3.29Å; G190-I192 PolarHBondContact O-N 2.82Å; I192-S194 VanDerWaalsContact C-N 3.33Å; I192-S194 PolarHBondContact O-N 2.72Å; I192-R195 PolarHBondContact O-N 2.95Å; I192-V196 WeakPolarHBondContact O-CG2 2.72Å; I192-V196 PolarHBondContact O-N 3.35Å; I192-Y310 VanDerWaalsContact CG2-CB 3.47Å; I192-Y310 HydrophobicContact CG2-CG 4.04Å; I192-M314 HydrophobicContact CD1-CB 3.91Å; I192-M314 HydrophobicContact CG1-CB 4.26Å; I192-M314 HydrophobicContact CG2-CB 4.39Å; I192-E320 HydrophobicContact CD1-CB 4.37Å; I192-E320 HydrophobicContact CG1-CB 3.69Å; I192-E320 HydrophobicContact CG1-CG 3.93Å
193	R	97.8	Very high	97.4	Very high	58 Å²	58	38.5 Å²	38.5	22%	0.219	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-35	179.9	-71.4	-171.2	-73.9	-90.8	2.8	111.7	E189 V196 R197 A312 M314 D315	E189-R193 HydrophobicContact CB-CB 3.96Å; E189-R193 PolarHBondContact O-NE 3.02Å; E189-R193 PolarHBondContact O-NH2 3.42Å; E189-R193 WeakPolarHBondContact OE2-CD 3.21Å; E189-R193 IonicContact OE2-CZ 3.27Å; E189-R193 IonicContact OE2-NE 3.69Å; E189-R193 PolarHBondContact OE2-NE 3.26Å; E189-R193 IonicContact OE2-NH2 3.64Å; R193-V196 PolarHBondContact O-N 3.31Å; R193-R197 PolarHBondContact O-N 2.88Å; R193-A312 WeakPolarHBondContact CD-O 3.32Å; R193-A312 HydrophobicContact CG-CB 4.37Å; R193-A312 PolarHBondContact NH1-O 3.08Å; R193-M314 PolarHBondContact NH1-O 3.12Å; R193-D315 IonicContact CZ-OD1 3.69Å; R193-D315 IonicContact NH1-OD1 3.1Å; R193-D315 PolarHBondContact NH1-OD1 3.17Å; R193-D315 IonicContact NH2-OD1 2.59Å; R193-D315 PolarHBondContact NH2-OD1 3.31Å; R193-D315 VanDerWaalsContact NH2-OD1 3.08Å
194	S	98.4	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-42.8	175	-60.8	0	0	0	0	112.6	D163 N185 G190 L191 I192 V196 R197 G198	D163-S194 WeakPolarHBondContact CB-OG 3.45Å; D163-S194 PolarHBondContact OD1-OG 2.81Å; N185-S194 PolarHBondContact ND2-OG 3.41Å; G190-S194 WeakPolarHBondContact O-CB 3.47Å; G190-S194 PolarHBondContact O-N 3.41Å; G190-S194 VanDerWaalsContact O-N 3.09Å; G190-S194 PolarHBondContact O-OG 2.9Å; L191-S194 PolarHBondContact O-N 2.74Å; I192-S194 VanDerWaalsContact C-N 3.33Å; I192-S194 PolarHBondContact O-N 2.72Å; S194-V196 VanDerWaalsContact C-N 3.34Å; S194-V196 PolarHBondContact O-N 3.08Å; S194-R197 PolarHBondContact O-N 3.39Å; S194-G198 PolarHBondContact O-N 3.33Å
195	R	98.4	Very high	97.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-40.6	175.8	-77.2	-175.2	-178.6	178.5	-4.5	111.8	T130 L191 I192 G198 A199 F209 D211 G294 G295 Y310	T130-R195 HydrophobicContact CG2-CB 4.24Å; T130-R195 HydrophobicContact CG2-CG 3.43Å; T130-R195 VanDerWaalsContact CG2-CG 3.43Å; L191-R195 HydrophobicContact CD1-CG 4.49Å; L191-R195 WeakPolarHBondContact O-CB 3.29Å; L191-R195 WeakPolarHBondContact O-CG 3.46Å; L191-R195 PolarHBondContact O-N 3.08Å; I192-R195 PolarHBondContact O-N 2.95Å; R195-G198 PolarHBondContact O-N 3.03Å; R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 3.44Å; R195-F209 HydrophobicContact CB-CD1 4.13Å; R195-F209 HydrophobicContact CB-CE1 3.75Å; R195-F209 HydrophobicContact CG-CD1 3.83Å; R195-F209 HydrophobicContact CG-CE1 3.99Å; R195-D211 IonicContact NH2-OD1 3.44Å; R195-D211 PolarHBondContact NH2-OD1 3.03Å; R195-G294 PolarHBondContact NH1-O 2.89Å; R195-G294 PolarHBondContact NH2-O 2.89Å; R195-G295 PolarHBondContact NH2-O 3.27Å; R195-Y310 HydrophobicContact CB-CD2 4.4Å; R195-Y310 HydrophobicContact CB-CE2 4.22Å; R195-Y310 PolarHBondContact NH1-OH 2.95Å
196	V	98.3	Very high	97.5	Very high	20 Å²	20	40.1 Å²	40.1	12%	0.121	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-46.7	174.2	170.6	0	0	0	0	110.9	I192 R193 S194 G198 A199 D200 K309 Y310	I192-V196 WeakPolarHBondContact O-CG2 2.72Å; I192-V196 PolarHBondContact O-N 3.35Å; R193-V196 PolarHBondContact O-N 3.31Å; S194-V196 VanDerWaalsContact C-N 3.34Å; S194-V196 PolarHBondContact O-N 3.08Å; V196-G198 VanDerWaalsContact C-N 3.33Å; V196-G198 PolarHBondContact O-N 3.46Å; V196-A199 WeakPolarHBondContact O-CB 3.2Å; V196-A199 PolarHBondContact O-N 3.27Å; V196-D200 VanDerWaalsContact O-CG 3.22Å; V196-D200 PolarHBondContact O-N 2.82Å; V196-K309 HydrophobicContact CG1-CB 4.49Å; V196-K309 HydrophobicContact CG1-CD 3.77Å; V196-K309 HydrophobicContact CG2-CB 4.04Å; V196-Y310 HydrophobicContact CG2-CD2 4.23Å
197	R	98.3	Very high	97.6	Very high	54 Å²	54	34 Å²	34	20%	0.204	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-41.8	178	-158.3	-166.5	177.1	-166.5	-0.9	112.3	L183 R184 N185 R193 S194 D200 V201	L183-R197 HydrophobicContact CD2-CB 4.27Å; L183-R197 HydrophobicContact CD2-CG 3.8Å; R184-R197 PolarHBondContact O-NH1 3.04Å; R184-R197 PolarHBondContact O-NH2 2.94Å; N185-R197 VanDerWaalsContact CA-NH1 3.28Å; N185-R197 VanDerWaalsContact OD1-CD 3.3Å; N185-R197 WeakPolarHBondContact OD1-CD 3.45Å; N185-R197 PolarHBondContact OD1-NH1 3.09Å; R193-R197 PolarHBondContact O-N 2.88Å; S194-R197 PolarHBondContact O-N 3.39Å; R197-D200 PolarHBondContact O-N 3.49Å; R197-V201 PolarHBondContact O-N 2.81Å
198	G	98.5	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-42.1	174.2	0	0	0	0	0	112.8	S194 R195 V196 D200 V201 A202	S194-G198 PolarHBondContact O-N 3.33Å; R195-G198 PolarHBondContact O-N 3.03Å; V196-G198 VanDerWaalsContact C-N 3.33Å; V196-G198 PolarHBondContact O-N 3.46Å; G198-D200 VanDerWaalsContact C-N 3.3Å; G198-D200 PolarHBondContact O-N 3.41Å; G198-V201 WeakPolarHBondContact O-CG2 3.13Å; G198-V201 PolarHBondContact O-N 2.85Å; G198-A202 PolarHBondContact O-N 3.21Å; G198-A202 VanDerWaalsContact O-N 3.16Å
199	A	98.6	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-33.6	177.2	0	0	0	0	0	112.8	I128 R195 V196 A202 L207 F209 K301 F304	I128-A199 HydrophobicContact CD1-CB 4.14Å; R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 3.44Å; V196-A199 WeakPolarHBondContact O-CB 3.2Å; V196-A199 PolarHBondContact O-N 3.27Å; A199-A202 PolarHBondContact O-N 2.71Å; A199-L207 HydrophobicContact CB-CD1 3.73Å; A199-F209 HydrophobicContact CB-CZ 4.28Å; A199-K301 WeakPolarHBondContact O-CE 3.23Å; A199-K301 PolarHBondContact O-NZ 3.05Å; A199-F304 HydrophobicContact CB-CD1 4.02Å; A199-F304 HydrophobicContact CB-CE1 3.61Å
200	D	98.4	Very high	98.1	Very high	77 Å²	77	21.4 Å²	21.4	41%	0.412	12%	0.123	S	C	.	.	H	α-helix	trans	-67.6	-39.4	-179.1	-72.3	-8.9	0	0	0	112	V196 R197 G198 K309	V196-D200 VanDerWaalsContact O-CG 3.22Å; V196-D200 PolarHBondContact O-N 2.82Å; R197-D200 PolarHBondContact O-N 3.49Å; G198-D200 VanDerWaalsContact C-N 3.3Å; G198-D200 PolarHBondContact O-N 3.41Å; D200-K309 WeakPolarHBondContact OD1-CE 3.42Å; D200-K309 IonicContact OD1-NZ 3.3Å; D200-K309 PolarHBondContact OD1-NZ 3.32Å; D200-K309 IonicContact OD2-NZ 2.98Å; D200-K309 PolarHBondContact OD2-NZ 2.97Å; D200-K309 VanDerWaalsContact OD2-NZ 3.1Å
201	V	98.3	Very high	98.2	Very high	38 Å²	38	23 Å²	23	23%	0.23	13%	0.131	C	C	.	.	H	α-helix	trans	-88.4	-8.7	-179.8	-54.4	0	0	0	0	114	P57 I59 I159 L183 R197 G198 A203	P57-V201 HydrophobicContact CG-CG1 4.37Å; I59-V201 HydrophobicContact CD1-CB 3.79Å; I59-V201 HydrophobicContact CD1-CG1 3.91Å; I59-V201 HydrophobicContact CD1-CG2 4.23Å; I159-V201 HydrophobicContact CD1-CG2 4.18Å; I159-V201 HydrophobicContact CG2-CG2 4.24Å; L183-V201 HydrophobicContact CD2-CG2 3.92Å; R197-V201 PolarHBondContact O-N 2.81Å; G198-V201 WeakPolarHBondContact O-CG2 3.13Å; G198-V201 PolarHBondContact O-N 2.85Å; V201-A203 PolarHBondContact O-N 3.37Å
202	A	98.6	Very high	98.4	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.025	13%	0.128	C	C	.	.			trans	-61.1	132	178.9	0	0	0	0	0	112.2	I159 G198 A199 L207 K301	I159-A202 HydrophobicContact CD1-CB 3.91Å; G198-A202 PolarHBondContact O-N 3.21Å; G198-A202 VanDerWaalsContact O-N 3.16Å; A199-A202 PolarHBondContact O-N 2.71Å; A202-L207 HydrophobicContact CB-CD2 3.57Å; A202-K301 PolarHBondContact O-NZ 3.44Å
203	A	98.4	Very high	98.5	Very high	71 Å²	71	23.4 Å²	23.4	59%	0.587	13%	0.133	S	C	*	.			trans	-87.7	-26.5	179.9	0	0	0	0	0	113.3	S126 Q156 E157 V201	S126-A203 PolarHBondContact OG-N 2.94Å; Q156-A203 HydrophobicContact CG-CB 4.28Å; E157-A203 WeakPolarHBondContact OE1-CB 3.12Å; E157-A203 PolarHBondContact OE1-N 3.13Å; V201-A203 PolarHBondContact O-N 3.37Å
204	A	98.4	Very high	98.5	Very high	8 Å²	8	20.8 Å²	20.8	7%	0.066	12%	0.123	C	C	.	.	S	Bend	trans	-74.8	160.9	-178.3	0	0	0	0	0	113.1	S126 Q156 K301	S126-A204 WeakPolarHBondContact OG-CB 3.1Å; S126-A204 PolarHBondContact OG-N 2.92Å; Q156-A204 HydrophobicContact CB-CB 3.85Å; Q156-A204 HydrophobicContact CG-CB 4.12Å; A204-K301 WeakPolarHBondContact O-CD 3.18Å
205	T	98.2	Very high	98.6	Very high	91 Å²	91	20.9 Å²	20.9	56%	0.558	12%	0.124	S	C	*	.	S	Bend	trans	-78.1	-22.3	173.9	54.7	0	0	0	0	112.6	K301	T205-K301 WeakPolarHBondContact O-CB 3.44Å; T205-K301 PolarHBondContact O-N 3.01Å
206	V	98.9	Very high	98.6	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.8	176.3	-177.2	0	0	0	0	109.9	P123 T125 S126 L225 V228 V298	P123-V206 HydrophobicContact CB-CG2 3.98Å; P123-V206 HydrophobicContact CG-CG2 3.73Å; T125-V206 WeakPolarHBondContact CA-O 3.42Å; T125-V206 PolarHBondContact OG1-O 2.92Å; T125-V206 VanDerWaalsContact OG1-O 3.05Å; S126-V206 PolarHBondContact N-O 3.18Å; V206-L225 HydrophobicContact CB-CD2 4.29Å; V206-L225 HydrophobicContact CG1-CD2 3.72Å; V206-V228 HydrophobicContact CG2-CG1 4.39Å; V206-V298 HydrophobicContact CG1-CG1 3.33Å
207	L	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.6	175.4	-54.4	179.5	0	0	0	109.6	I128 A199 A202 F209 V298 I299 K301 F304	I128-L207 HydrophobicContact CD1-CB 4.48Å; I128-L207 HydrophobicContact CD1-CD2 4.05Å; A199-L207 HydrophobicContact CB-CD1 3.73Å; A202-L207 HydrophobicContact CB-CD2 3.57Å; L207-F209 HydrophobicContact CB-CE2 3.86Å; L207-F209 HydrophobicContact CB-CZ 4.32Å; L207-F209 HydrophobicContact CD1-CE2 4.17Å; L207-F209 HydrophobicContact CD1-CZ 4.08Å; L207-V298 VanDerWaalsContact O-CA 3.31Å; L207-V298 WeakPolarHBondContact O-CA 3.4Å; L207-V298 WeakPolarHBondContact O-CG1 3.37Å; L207-I299 HydrophobicContact CB-CG2 4.03Å; L207-I299 HydrophobicContact CD1-CG2 4.43Å; L207-I299 PolarHBondContact N-O 3.43Å; L207-I299 PolarHBondContact O-N 3.35Å; L207-K301 HydrophobicContact CD1-CB 4.25Å; L207-K301 HydrophobicContact CD1-CG 4.16Å; L207-K301 HydrophobicContact CD2-CB 4.14Å; L207-K301 HydrophobicContact CD2-CD 4.18Å; L207-K301 HydrophobicContact CD2-CG 4.1Å; L207-K301 HydrophobicContact CG-CB 3.89Å; L207-K301 HydrophobicContact CG-CG 4.17Å; L207-F304 HydrophobicContact CD1-CB 4.14Å; L207-F304 HydrophobicContact CD1-CD1 3.81Å; L207-F304 HydrophobicContact CD1-CE1 4.48Å; L207-F304 HydrophobicContact CD1-CG 4.09Å
208	T	98.9	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.7	172	-61.4	0	0	0	0	109.5	T125 S126 V127 I128 W220 L221 V298	T125-T208 WeakPolarHBondContact CG2-OG1 3.36Å; T125-T208 WeakPolarHBondContact OG1-CB 3.47Å; T125-T208 PolarHBondContact OG1-N 2.85Å; T125-T208 PolarHBondContact OG1-OG1 2.87Å; S126-T208 PolarHBondContact O-N 3.05Å; V127-T208 CarbonylContact C-O 3.47Å; V127-T208 VanDerWaalsContact CA-O 3.31Å; V127-T208 WeakPolarHBondContact CA-O 3.05Å; I128-T208 PolarHBondContact N-O 3.18Å; T208-W220 HydrophobicContact CG2-CH2 3.63Å; T208-W220 HydrophobicContact CG2-CZ3 4.09Å; T208-L221 HydrophobicContact CG2-CD1 4.37Å; T208-V298 HydrophobicContact CG2-CG2 3.93Å
209	F	98.9	Very high	98.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.9	177	-63.6	-85	0	0	0	110.2	I128 R195 A199 L207 I296 F297 I299 F304	I128-F209 HydrophobicContact CB-CD1 3.86Å; I128-F209 HydrophobicContact CB-CE1 3.97Å; I128-F209 HydrophobicContact CD1-CD1 4.27Å; I128-F209 HydrophobicContact CD1-CE1 3.6Å; I128-F209 HydrophobicContact CD1-CZ 3.86Å; I128-F209 HydrophobicContact CG1-CE1 4.41Å; I128-F209 HydrophobicContact CG2-CD1 3.98Å; I128-F209 HydrophobicContact CG2-CE1 3.95Å; I128-F209 WeakPolarHBondContact O-CA 3.26Å; R195-F209 HydrophobicContact CB-CD1 4.13Å; R195-F209 HydrophobicContact CB-CE1 3.75Å; R195-F209 HydrophobicContact CG-CD1 3.83Å; R195-F209 HydrophobicContact CG-CE1 3.99Å; A199-F209 HydrophobicContact CB-CZ 4.28Å; L207-F209 HydrophobicContact CB-CE2 3.86Å; L207-F209 HydrophobicContact CB-CZ 4.32Å; L207-F209 HydrophobicContact CD1-CE2 4.17Å; L207-F209 HydrophobicContact CD1-CZ 4.08Å; F209-I296 WeakPolarHBondContact O-CA 3.32Å; F209-F297 HydrophobicContact CB-CD1 4.09Å; F209-F297 HydrophobicContact CB-CE1 3.84Å; F209-F297 HydrophobicContact CB-CZ 4.25Å; F209-F297 HydrophobicContact CD2-CD1 4.32Å; F209-F297 HydrophobicContact CD2-CD2 4.01Å; F209-F297 AromaticContact CD2-CE1 3.71Å; F209-F297 HydrophobicContact CD2-CE1 3.71Å; F209-F297 AromaticContact CD2-CE2 3.38Å; F209-F297 HydrophobicContact CD2-CE2 3.38Å; F209-F297 HydrophobicContact CD2-CG 4.45Å; F209-F297 AromaticContact CD2-CZ 3.21Å; F209-F297 HydrophobicContact CD2-CZ 3.21Å; F209-F297 AromaticContact CE2-CE2 3.72Å; F209-F297 HydrophobicContact CE2-CE2 3.72Å; F209-F297 AromaticContact CE2-CZ 3.64Å; F209-F297 HydrophobicContact CE2-CZ 3.64Å; F209-F297 AromaticContact CG-CE1 3.92Å; F209-F297 HydrophobicContact CG-CE1 3.92Å; F209-F297 HydrophobicContact CG-CE2 4.38Å; F209-F297 AromaticContact CG-CZ 3.84Å; F209-F297 HydrophobicContact CG-CZ 3.84Å; F209-F297 PolarHBondContact N-O 3.32Å; F209-F297 PolarHBondContact O-N 3.32Å; F209-I299 HydrophobicContact CE2-CG2 4.04Å; F209-F304 HydrophobicContact CZ-CZ 4.37Å
210	L	98.8	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.5	173.3	-73.8	171.5	0	0	0	109.6	V127 I128 I129 V146 C214 V216 W220 I296 V343	V127-L210 HydrophobicContact CG1-CD1 3.82Å; V127-L210 HydrophobicContact CG1-CG 4.44Å; I128-L210 PolarHBondContact O-N 2.91Å; I128-L210 VanDerWaalsContact O-N 3.1Å; I129-L210 WeakPolarHBondContact CA-O 3.45Å; I129-L210 HydrophobicContact CG1-CB 4.11Å; V146-L210 HydrophobicContact CG2-CD1 3.53Å; L210-C214 HydrophobicContact CD2-CB 4.48Å; L210-V216 HydrophobicContact CD1-CG1 4.11Å; L210-V216 HydrophobicContact CD2-CG1 4.34Å; L210-W220 HydrophobicContact CD1-CH2 3.76Å; L210-W220 HydrophobicContact CD1-CZ2 4.38Å; L210-W220 HydrophobicContact CD1-CZ3 4.43Å; L210-W220 HydrophobicContact CD2-CH2 4.17Å; L210-W220 HydrophobicContact CD2-CZ3 4.02Å; L210-W220 HydrophobicContact CG-CH2 4.2Å; L210-I296 HydrophobicContact CD2-CB 4.41Å; L210-I296 HydrophobicContact CD2-CG1 4.17Å; L210-I296 HydrophobicContact CD2-CG2 3.54Å; L210-V343 HydrophobicContact CD2-CG1 4.14Å
211	D	98.4	Very high	98.4	Very high	34 Å²	34	20 Å²	20	18%	0.182	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	158.6	165.7	-71	-20	0	0	0	110.3	R195 H213 G295 H345	R195-D211 IonicContact NH2-OD1 3.44Å; R195-D211 PolarHBondContact NH2-OD1 3.03Å; D211-H213 PolarHBondContact O-N 3.05Å; D211-H213 VanDerWaalsContact O-N 3.12Å; D211-G295 PolarHBondContact N-O 3Å; D211-G295 WeakPolarHBondContact OD2-CA 3.35Å; D211-H345 IonicContact OD2-NE2 3.35Å
212	S	98.4	Very high	98.4	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.042	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	6.9	-171.2	55	0	0	0	0	115.8	E134 T138 L139 T142	E134-S212 PolarHBondContact OE2-OG 3.35Å; T138-S212 CarbonylContact C-O 3.58Å; L139-S212 WeakPolarHBondContact CA-O 3.36Å; L139-S212 PolarHBondContact N-O 3.24Å; T142-S212 VanDerWaalsContact OG1-C 3.24Å; T142-S212 PolarHBondContact OG1-O 3.22Å; T142-S212 VanDerWaalsContact OG1-O 3.07Å
213	H	98.5	Very high	98.4	Very high	25 Å²	25	18.7 Å²	18.7	12%	0.116	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.3	51.8	-175.6	40.7	-81.9	0	0	0	109.5	E134 T138 T142 D211 H345 V346 R348	E134-H213 IonicContact OE2-CE1 2.72Å; E134-H213 IonicContact OE2-CG 3.69Å; E134-H213 IonicContact OE2-ND1 3.62Å; E134-H213 PolarHBondContact OE2-ND1 3.42Å; T138-H213 HydrophobicContact CG2-CB 4.36Å; T142-H213 PolarHBondContact OG1-N 3.36Å; D211-H213 PolarHBondContact O-N 3.05Å; D211-H213 VanDerWaalsContact O-N 3.12Å; H213-H345 AromaticContact CD2-CD2 3.82Å; H213-H345 AromaticContact CD2-NE2 3.46Å; H213-H345 PolarHBondContact CD2-NE2 2.75Å; H213-H345 AromaticContact NE2-NE2 3.32Å; H213-H345 PolarHBondContact NE2-NE2 3.3Å; H213-V346 HydrophobicContact CB-CB 4.25Å; H213-V346 HydrophobicContact CB-CG2 4.14Å; H213-V346 PolarHBondContact O-N 3.38Å; H213-R348 PolarHBondContact CE1-NH2 2.96Å; H213-R348 PolarHBondContact ND1-NH2 2.92Å; H213-R348 PolarHBondContact NE2-NH2 3.12Å
214	C	98.8	Very high	98.4	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.8	-179.7	-74.4	0	0	0	0	111.4	T142 L210 V343 G344	T142-C214 VanDerWaalsContact CA-O 3.22Å; T142-C214 WeakPolarHBondContact CA-O 3.45Å; T142-C214 WeakPolarHBondContact CB-O 3.31Å; T142-C214 HydrophobicContact CG2-CB 4.05Å; T142-C214 PolarHBondContact OG1-N 3.08Å; T142-C214 PolarHBondContact OG1-O 3.37Å; L210-C214 HydrophobicContact CD2-CB 4.48Å; C214-V343 HydrophobicContact CB-CG1 3.98Å; C214-G344 CarbonylContact C-O 3.08Å; C214-G344 WeakPolarHBondContact CA-O 3.11Å
215	E	98.8	Very high	98.4	Very high	3 Å²	3	14.9 Å²	14.9	1%	0.014	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	109.7	167.6	-69.2	177.2	-131	0	0	108.3	R103 R141 I243 Y250 G344	R103-E215 IonicContact CZ-OE1 3.23Å; R103-E215 VanDerWaalsContact CZ-OE1 3.32Å; R103-E215 IonicContact CZ-OE2 2.78Å; R103-E215 IonicContact NE-OE1 2.69Å; R103-E215 PolarHBondContact NE-OE1 2.85Å; R103-E215 IonicContact NE-OE2 3.22Å; R103-E215 PolarHBondContact NE-OE2 3.26Å; R103-E215 VanDerWaalsContact NH2-CD 3.29Å; R103-E215 IonicContact NH2-OE1 3.71Å; R103-E215 PolarHBondContact NH2-OE1 3.37Å; R103-E215 IonicContact NH2-OE2 3.88Å; R103-E215 PolarHBondContact NH2-OE2 3.12Å; R141-E215 WeakPolarHBondContact CD-OE1 3.23Å; R141-E215 HydrophobicContact CG-CG 3.88Å; R141-E215 IonicContact CZ-OE1 2.85Å; R141-E215 IonicContact NE-OE1 3.32Å; R141-E215 PolarHBondContact NE-OE1 3.43Å; E215-I243 HydrophobicContact CB-CD1 3.91Å; E215-I243 HydrophobicContact CG-CD1 3.86Å; E215-Y250 HydrophobicContact CB-CD2 4.46Å; E215-Y250 HydrophobicContact CB-CE2 4.31Å; E215-G344 PolarHBondContact N-O 2.83Å; E215-G344 PolarHBondContact O-N 3.43Å
216	V	98.8	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	141.7	-178	-55	0	0	0	0	110.4	S145 V146 R149 L210 W220 V343	S145-V216 VanDerWaalsContact C-CG2 3.42Å; S145-V216 WeakPolarHBondContact O-CG2 3.46Å; S145-V216 PolarHBondContact OG-N 3.45Å; V146-V216 HydrophobicContact CG2-CG1 4.06Å; V146-V216 HydrophobicContact CG2-CG2 4.41Å; R149-V216 HydrophobicContact CB-CG2 4.21Å; R149-V216 WeakPolarHBondContact CD-O 3.19Å; R149-V216 PolarHBondContact NH1-O 3.13Å; L210-V216 HydrophobicContact CD1-CG1 4.11Å; L210-V216 HydrophobicContact CD2-CG1 4.34Å; V216-W220 HydrophobicContact CB-CB 4.38Å; V216-W220 HydrophobicContact CB-CD2 3.58Å; V216-W220 HydrophobicContact CB-CE3 4.21Å; V216-W220 HydrophobicContact CB-CG 3.61Å; V216-W220 HydrophobicContact CB-CZ2 4.28Å; V216-W220 HydrophobicContact CG1-CD2 3.7Å; V216-W220 HydrophobicContact CG1-CE3 3.92Å; V216-W220 HydrophobicContact CG1-CG 4.28Å; V216-W220 HydrophobicContact CG1-CH2 3.95Å; V216-W220 HydrophobicContact CG1-CZ2 3.75Å; V216-W220 HydrophobicContact CG1-CZ3 4.03Å; V216-W220 HydrophobicContact CG2-CD2 4.24Å; V216-W220 HydrophobicContact CG2-CG 4.13Å; V216-W220 HydrophobicContact CG2-CZ2 4.45Å; V216-V343 HydrophobicContact CB-CG2 4.34Å; V216-V343 HydrophobicContact CG1-CG1 4.06Å; V216-V343 HydrophobicContact CG1-CG2 4.09Å
217	N	98.5	Very high	98.4	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.071	C	C	.	.			trans	-87.8	177.2	178.9	-143.6	-38.4	0	0	0	111.9	I105 R106 T108 W220 R342	I105-N217 HydrophobicContact CD1-CB 4.21Å; R106-N217 PolarHBondContact O-ND2 3.48Å; T108-N217 PolarHBondContact N-ND2 3.4Å; T108-N217 PolarHBondContact OG1-ND2 2.54Å; T108-N217 VanDerWaalsContact OG1-ND2 3.14Å; N217-W220 WeakPolarHBondContact O-CB 3.17Å; N217-W220 PolarHBondContact O-N 3.4Å; N217-R342 HydrophobicContact CB-CB 3.68Å; N217-R342 VanDerWaalsContact CB-O 3.28Å; N217-R342 WeakPolarHBondContact CB-O 3.36Å; N217-R342 PolarHBondContact N-O 2.87Å
218	T	96.8	Very high	98.4	Very high	53 Å²	53	14.2 Å²	14.2	33%	0.325	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	137.9	176.7	-169.4	0	0	0	0	111.3	D107 W220	D107-T218 HydrophobicContact CB-CG2 4.22Å; D107-T218 VanDerWaalsContact OD2-CG2 3.3Å; D107-T218 WeakPolarHBondContact OD2-CG2 3.15Å; T218-W220 PolarHBondContact O-N 2.83Å
219	E	95.1	Very high	98.4	Very high	78 Å²	78	18 Å²	18	36%	0.364	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	33.5	-178.1	-56.8	-171.1	111.2	0	0	114.9	R109 L221 P223	R109-E219 IonicContact CZ-OE2 2.91Å; R109-E219 IonicContact NH1-OE2 3.97Å; R109-E219 PolarHBondContact NH1-OE2 2.61Å; R109-E219 IonicContact NH2-OE2 3.4Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.45Å; E219-P223 WeakPolarHBondContact O-CD 3.41Å; E219-P223 VanDerWaalsContact O-CG 3.25Å; E219-P223 WeakPolarHBondContact O-CG 3.5Å
220	W	98.5	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.			trans	-65.1	-35.3	-179.2	74.5	-70.2	0	0	0	113	V146 T150 T208 L210 V216 N217 T218 M224 S341 V343	V146-W220 HydrophobicContact CG2-CZ2 4.33Å; T150-W220 PolarHBondContact OG1-NE1 3.14Å; T208-W220 HydrophobicContact CG2-CH2 3.63Å; T208-W220 HydrophobicContact CG2-CZ3 4.09Å; L210-W220 HydrophobicContact CD1-CH2 3.76Å; L210-W220 HydrophobicContact CD1-CZ2 4.38Å; L210-W220 HydrophobicContact CD1-CZ3 4.43Å; L210-W220 HydrophobicContact CD2-CH2 4.17Å; L210-W220 HydrophobicContact CD2-CZ3 4.02Å; L210-W220 HydrophobicContact CG-CH2 4.2Å; V216-W220 HydrophobicContact CB-CB 4.38Å; V216-W220 HydrophobicContact CB-CD2 3.58Å; V216-W220 HydrophobicContact CB-CE3 4.21Å; V216-W220 HydrophobicContact CB-CG 3.61Å; V216-W220 HydrophobicContact CB-CZ2 4.28Å; V216-W220 HydrophobicContact CG1-CD2 3.7Å; V216-W220 HydrophobicContact CG1-CE3 3.92Å; V216-W220 HydrophobicContact CG1-CG 4.28Å; V216-W220 HydrophobicContact CG1-CH2 3.95Å; V216-W220 HydrophobicContact CG1-CZ2 3.75Å; V216-W220 HydrophobicContact CG1-CZ3 4.03Å; V216-W220 HydrophobicContact CG2-CD2 4.24Å; V216-W220 HydrophobicContact CG2-CG 4.13Å; V216-W220 HydrophobicContact CG2-CZ2 4.45Å; N217-W220 WeakPolarHBondContact O-CB 3.17Å; N217-W220 PolarHBondContact O-N 3.4Å; T218-W220 PolarHBondContact O-N 2.83Å; W220-M224 HydrophobicContact CD2-CE 4.39Å; W220-M224 HydrophobicContact CE3-CE 3.36Å; W220-M224 HydrophobicContact CZ3-CE 3.45Å; W220-M224 VanDerWaalsContact CZ3-CE 3.45Å; W220-S341 WeakPolarHBondContact O-CB 3.41Å; W220-S341 PolarHBondContact O-OG 2.63Å; W220-V343 HydrophobicContact CB-CG2 4.44Å; W220-V343 HydrophobicContact CD2-CG2 4.18Å; W220-V343 HydrophobicContact CE3-CG2 3.42Å; W220-V343 VanDerWaalsContact CE3-CG2 3.42Å; W220-V343 HydrophobicContact CZ3-CG2 4.01Å
221	L	98.6	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-85	-45.1	-169.6	-172.5	64.2	0	0	0	114.7	T125 T150 L154 T208 E219 P223 M224 L225 V298	T125-L221 HydrophobicContact CG2-CD1 4.35Å; T125-L221 HydrophobicContact CG2-CD2 3.72Å; T150-L221 HydrophobicContact CG2-CB 4.22Å; T150-L221 HydrophobicContact CG2-CD2 3.46Å; T150-L221 VanDerWaalsContact CG2-CD2 3.46Å; T150-L221 HydrophobicContact CG2-CG 4.47Å; L154-L221 HydrophobicContact CB-CD2 4.31Å; T208-L221 HydrophobicContact CG2-CD1 4.37Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.45Å; L221-P223 VanDerWaalsContact C-CD 3.41Å; L221-M224 HydrophobicContact CD1-CE 4.16Å; L221-M224 PolarHBondContact O-N 3Å; L221-L225 HydrophobicContact CD1-CD1 4.29Å; L221-L225 HydrophobicContact CD1-CD2 4.27Å; L221-L225 HydrophobicContact CD1-CG 3.99Å; L221-L225 HydrophobicContact CD2-CD1 3.86Å; L221-L225 HydrophobicContact CD2-CG 4.47Å; L221-L225 HydrophobicContact CG-CD1 3.64Å; L221-L225 HydrophobicContact CG-CG 3.83Å; L221-L225 PolarHBondContact O-N 2.88Å; L221-V298 HydrophobicContact CD1-CG2 4.28Å
222	P	98.4	Very high	98.3	Very high	11 Å²	11	27.7 Å²	27.7	7%	0.071	13%	0.134	C	C	.	.	H	α-helix	trans	-52.1	-43.1	-179.4	-25.2	33.6	0	0	0	115.2	Y118 L122 L154 M224 L225 Q226	Y118-P222 HydrophobicContact CD2-CB 3.76Å; Y118-P222 HydrophobicContact CE2-CB 4.32Å; Y118-P222 HydrophobicContact CG-CB 4.08Å; L122-P222 HydrophobicContact CD1-CB 3.81Å; L154-P222 HydrophobicContact CD1-CG 4.13Å; P222-M224 VanDerWaalsContact C-N 3.27Å; P222-M224 PolarHBondContact O-N 3.42Å; P222-L225 PolarHBondContact O-N 2.87Å; P222-Q226 WeakPolarHBondContact O-CB 3.4Å; P222-Q226 PolarHBondContact O-N 3.39Å
223	P	98.4	Very high	98.4	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-57.8	-38.3	176	-16.2	23	0	0	0	112.9	Y118 E219 L221 R227 V338 C340	Y118-P223 HydrophobicContact CE1-CB 3.93Å; Y118-P223 HydrophobicContact CE1-CG 4.24Å; Y118-P223 HydrophobicContact CE2-CG 3.94Å; Y118-P223 WeakPolarHBondContact OH-CB 3.4Å; Y118-P223 WeakPolarHBondContact OH-CG 3.39Å; E219-P223 WeakPolarHBondContact O-CD 3.41Å; E219-P223 VanDerWaalsContact O-CG 3.25Å; E219-P223 WeakPolarHBondContact O-CG 3.5Å; L221-P223 VanDerWaalsContact C-CD 3.41Å; P223-R227 WeakPolarHBondContact O-CG 3.49Å; P223-V338 HydrophobicContact CB-CG1 3.61Å; P223-C340 HydrophobicContact CB-CB 4.42Å; P223-C340 HydrophobicContact CG-CB 4.25Å
224	M	98.7	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-76	-43.1	-179.7	-69.3	-167.7	-63.5	0	0	112.1	W220 L221 P222 Q226 R227 V228 V236 P238 V298 V338 S341	W220-M224 HydrophobicContact CD2-CE 4.39Å; W220-M224 HydrophobicContact CE3-CE 3.36Å; W220-M224 HydrophobicContact CZ3-CE 3.45Å; W220-M224 VanDerWaalsContact CZ3-CE 3.45Å; L221-M224 HydrophobicContact CD1-CE 4.16Å; L221-M224 PolarHBondContact O-N 3Å; P222-M224 VanDerWaalsContact C-N 3.27Å; P222-M224 PolarHBondContact O-N 3.42Å; M224-Q226 VanDerWaalsContact C-N 3.29Å; M224-Q226 PolarHBondContact O-N 2.85Å; M224-R227 PolarHBondContact O-N 2.8Å; M224-V228 PolarHBondContact O-N 3.48Å; M224-V236 HydrophobicContact CB-CG2 3.65Å; M224-V236 HydrophobicContact CG-CG2 3.96Å; M224-V236 HydrophobicContact SD-CG2 4.42Å; M224-P238 HydrophobicContact SD-CB 4.3Å; M224-V298 HydrophobicContact CB-CB 4.32Å; M224-V298 HydrophobicContact CB-CG2 3.86Å; M224-V298 HydrophobicContact CE-CG2 3.61Å; M224-V298 HydrophobicContact CG-CG2 4.45Å; M224-V298 HydrophobicContact SD-CG2 3.79Å; M224-V338 HydrophobicContact CG-CB 4.35Å; M224-V338 HydrophobicContact CG-CG2 4.34Å; M224-S341 WeakPolarHBondContact CE-OG 2.9Å
225	L	98.8	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-37.6	177.2	-66.5	175.9	0	0	0	111.9	L122 P123 L154 V206 L221 P222 R227 V228 K229 V298	L122-L225 HydrophobicContact CB-CB 4.47Å; L122-L225 HydrophobicContact CB-CD1 4.5Å; L122-L225 HydrophobicContact CD1-CB 4.36Å; L122-L225 HydrophobicContact CD2-CB 4.07Å; P123-L225 WeakPolarHBondContact O-CD1 3.49Å; L154-L225 HydrophobicContact CB-CD1 4.29Å; L154-L225 HydrophobicContact CD1-CD1 4.1Å; L154-L225 HydrophobicContact CD2-CD1 4.2Å; L154-L225 HydrophobicContact CG-CD1 4.43Å; V206-L225 HydrophobicContact CB-CD2 4.29Å; V206-L225 HydrophobicContact CG1-CD2 3.72Å; L221-L225 HydrophobicContact CD1-CD1 4.29Å; L221-L225 HydrophobicContact CD1-CD2 4.27Å; L221-L225 HydrophobicContact CD1-CG 3.99Å; L221-L225 HydrophobicContact CD2-CD1 3.86Å; L221-L225 HydrophobicContact CD2-CG 4.47Å; L221-L225 HydrophobicContact CG-CD1 3.64Å; L221-L225 HydrophobicContact CG-CG 3.83Å; L221-L225 PolarHBondContact O-N 2.88Å; P222-L225 PolarHBondContact O-N 2.87Å; L225-R227 VanDerWaalsContact C-N 3.29Å; L225-R227 PolarHBondContact O-N 3.27Å; L225-V228 PolarHBondContact O-N 3.05Å; L225-K229 VanDerWaalsContact O-CB 3.29Å; L225-K229 WeakPolarHBondContact O-CB 3.26Å; L225-K229 PolarHBondContact O-N 3.43Å; L225-V298 HydrophobicContact CD2-CG1 4.11Å
226	Q	98.6	Very high	98.4	Very high	34 Å²	34	29.2 Å²	29.2	16%	0.159	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-44.6	174.8	-180	64.9	38.7	0	0	111.1	Y118 S119 L122 P222 M224 K229 E230	Y118-Q226 HydrophobicContact CD1-CB 3.87Å; Y118-Q226 HydrophobicContact CD1-CG 4.03Å; S119-Q226 VanDerWaalsContact N-OE1 3.1Å; L122-Q226 HydrophobicContact CD2-CB 4.14Å; P222-Q226 WeakPolarHBondContact O-CB 3.4Å; P222-Q226 PolarHBondContact O-N 3.39Å; M224-Q226 VanDerWaalsContact C-N 3.29Å; M224-Q226 PolarHBondContact O-N 2.85Å; Q226-K229 PolarHBondContact O-N 2.97Å; Q226-E230 WeakPolarHBondContact CG-OE1 3.41Å; Q226-E230 PolarHBondContact NE2-OE1 2.92Å; Q226-E230 VanDerWaalsContact O-CG 3.28Å; Q226-E230 WeakPolarHBondContact O-CG 3.36Å; Q226-E230 PolarHBondContact O-N 2.86Å
227	R	98.7	Very high	98.4	Very high	41 Å²	41	29.5 Å²	29.5	16%	0.155	14%	0.142	C	C	.	.	H	α-helix	trans	-64.8	-43	-179.6	-62.9	-52.9	-62.5	169.1	-8.2	113.1	P223 M224 L225 E230 D231 R234 V236 P286 E336 V338	P223-R227 WeakPolarHBondContact O-CG 3.49Å; M224-R227 PolarHBondContact O-N 2.8Å; L225-R227 VanDerWaalsContact C-N 3.29Å; L225-R227 PolarHBondContact O-N 3.27Å; R227-E230 IonicContact CZ-OE2 3.34Å; R227-E230 IonicContact NE-OE2 2.87Å; R227-E230 IonicContact NH1-OE2 3.19Å; R227-E230 PolarHBondContact NH1-OE2 2.94Å; R227-D231 PolarHBondContact O-N 3.41Å; R227-R234 PolarHBondContact O-NH1 3.17Å; R227-V236 HydrophobicContact CB-CG1 3.69Å; R227-V236 HydrophobicContact CG-CG1 4.34Å; R227-P286 HydrophobicContact CG-CG 4.33Å; R227-E336 IonicContact CZ-OE1 2.74Å; R227-E336 IonicContact CZ-OE2 4Å; R227-E336 IonicContact NE-OE1 2.82Å; R227-E336 IonicContact NE-OE2 3.4Å; R227-E336 PolarHBondContact NE-OE2 3.16Å; R227-E336 IonicContact NH2-OE1 3.68Å; R227-E336 PolarHBondContact NH2-OE1 2.7Å; R227-E336 IonicContact NH2-OE2 3.73Å; R227-E336 PolarHBondContact NH2-OE2 2.85Å; R227-V338 HydrophobicContact CG-CG2 3.94Å
228	V	98.7	Very high	98.4	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.024	14%	0.141	C	C	.	.	H	α-helix	trans	-70	-36	177.8	177.5	0	0	0	0	111.1	V206 M224 L225 D231 H232 V236 V298 D300	V206-V228 HydrophobicContact CG2-CG1 4.39Å; M224-V228 PolarHBondContact O-N 3.48Å; L225-V228 PolarHBondContact O-N 3.05Å; V228-D231 CarbonylContact O-C 3.45Å; V228-D231 PolarHBondContact O-N 3.47Å; V228-H232 WeakPolarHBondContact O-CA 3.43Å; V228-H232 PolarHBondContact O-N 3.42Å; V228-V236 HydrophobicContact CG2-CG2 3.92Å; V228-V298 HydrophobicContact CG2-CB 4.48Å; V228-V298 HydrophobicContact CG2-CG1 4.05Å; V228-D300 HydrophobicContact CG1-CB 3.91Å
229	K	98.4	Very high	98.5	Very high	79 Å²	79	27.2 Å²	27.2	34%	0.343	13%	0.128	S	C	.	.	H	α-helix	trans	-63.2	-42.6	174.9	179.7	179.3	179.2	174.3	0	112.2	S119 D121 L122 L225 Q226 D231	S119-K229 PolarHBondContact OG-NZ 3.13Å; D121-K229 PolarHBondContact O-NZ 2.81Å; D121-K229 IonicContact OD1-NZ 3.6Å; D121-K229 PolarHBondContact OD1-NZ 3.45Å; D121-K229 IonicContact OD2-NZ 3.54Å; D121-K229 PolarHBondContact OD2-NZ 3.36Å; L122-K229 HydrophobicContact CD2-CD 4.15Å; L225-K229 VanDerWaalsContact O-CB 3.29Å; L225-K229 WeakPolarHBondContact O-CB 3.26Å; L225-K229 PolarHBondContact O-N 3.43Å; Q226-K229 PolarHBondContact O-N 2.97Å; K229-D231 VanDerWaalsContact C-N 3.25Å; K229-D231 PolarHBondContact O-N 3.38Å
230	E	98.4	Very high	98.6	Very high	95 Å²	95	24.2 Å²	24.2	44%	0.444	11%	0.114	S	C	.	.	H	α-helix	trans	-65.6	-30	178.6	-75.2	166.7	-171.1	0	0	113	Q226 R227 R234	Q226-E230 WeakPolarHBondContact CG-OE1 3.41Å; Q226-E230 PolarHBondContact NE2-OE1 2.92Å; Q226-E230 VanDerWaalsContact O-CG 3.28Å; Q226-E230 WeakPolarHBondContact O-CG 3.36Å; Q226-E230 PolarHBondContact O-N 2.86Å; R227-E230 IonicContact CZ-OE2 3.34Å; R227-E230 IonicContact NE-OE2 2.87Å; R227-E230 IonicContact NH1-OE2 3.19Å; R227-E230 PolarHBondContact NH1-OE2 2.94Å; E230-R234 VanDerWaalsContact CB-NH1 3.3Å; E230-R234 IonicContact OE2-NH1 3.98Å; E230-R234 PolarHBondContact OE2-NH1 2.86Å
231	D	98.7	Very high	98.6	Very high	48 Å²	48	24.2 Å²	24.2	26%	0.257	11%	0.114	S	C	.	.			trans	-161	106.5	-179.3	175.9	-4.2	0	0	0	109	R227 V228 K229 T233 R234	R227-D231 PolarHBondContact O-N 3.41Å; V228-D231 CarbonylContact O-C 3.45Å; V228-D231 PolarHBondContact O-N 3.47Å; K229-D231 VanDerWaalsContact C-N 3.25Å; K229-D231 PolarHBondContact O-N 3.38Å; D231-T233 PolarHBondContact O-N 3.27Å; D231-T233 WeakPolarHBondContact OD1-CB 3.45Å; D231-T233 PolarHBondContact OD1-N 3.39Å; D231-T233 PolarHBondContact OD1-OG1 3.17Å; D231-R234 HydrophobicContact CB-CG 3.82Å; D231-R234 VanDerWaalsContact CB-NE 3.29Å; D231-R234 WeakPolarHBondContact O-CB 3.25Å; D231-R234 WeakPolarHBondContact O-CG 3.34Å; D231-R234 PolarHBondContact O-N 3.34Å; D231-R234 VanDerWaalsContact O-N 3.09Å; D231-R234 IonicContact OD2-CZ 3.93Å; D231-R234 IonicContact OD2-NE 2.72Å; D231-R234 PolarHBondContact OD2-NE 2.93Å; D231-R234 IonicContact OD2-NH2 3.44Å
232	H	98.4	Very high	98.6	Very high	96 Å²	96	26.7 Å²	26.7	44%	0.444	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.7	-174.7	74.2	89.4	0	0	0	113.3	V228 R234 D300 W303	V228-H232 WeakPolarHBondContact O-CA 3.43Å; V228-H232 PolarHBondContact O-N 3.42Å; H232-R234 VanDerWaalsContact C-N 3.34Å; H232-D300 HydrophobicContact CB-CB 3.95Å; H232-D300 WeakPolarHBondContact O-CB 3.39Å; H232-W303 WeakPolarHBondContact O-CB 3.45Å
233	T	98.8	Very high	98.6	Very high	25 Å²	25	26.2 Å²	26.2	15%	0.153	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.2	177.3	73.9	0	0	0	0	113.3	D231 W303 G333 S334	D231-T233 PolarHBondContact O-N 3.27Å; D231-T233 WeakPolarHBondContact OD1-CB 3.45Å; D231-T233 PolarHBondContact OD1-N 3.39Å; D231-T233 PolarHBondContact OD1-OG1 3.17Å; T233-W303 HydrophobicContact CG2-CD2 4.37Å; T233-W303 HydrophobicContact CG2-CE3 4.39Å; T233-W303 HydrophobicContact CG2-CH2 4.44Å; T233-W303 HydrophobicContact CG2-CZ2 4.38Å; T233-W303 HydrophobicContact CG2-CZ3 4.42Å; T233-W303 PolarHBondContact O-NE1 2.93Å; T233-G333 WeakPolarHBondContact O-CA 3.35Å; T233-S334 PolarHBondContact O-N 3.49Å
234	R	98.9	Very high	98.6	Very high	43 Å²	43	27 Å²	27	16%	0.162	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.9	176.7	-59.5	-177.4	-171.8	146.9	2.5	110.9	R227 E230 D231 H232 V236 E336	R227-R234 PolarHBondContact O-NH1 3.17Å; E230-R234 VanDerWaalsContact CB-NH1 3.3Å; E230-R234 IonicContact OE2-NH1 3.98Å; E230-R234 PolarHBondContact OE2-NH1 2.86Å; D231-R234 HydrophobicContact CB-CG 3.82Å; D231-R234 VanDerWaalsContact CB-NE 3.29Å; D231-R234 WeakPolarHBondContact O-CB 3.25Å; D231-R234 WeakPolarHBondContact O-CG 3.34Å; D231-R234 PolarHBondContact O-N 3.34Å; D231-R234 VanDerWaalsContact O-N 3.09Å; D231-R234 IonicContact OD2-CZ 3.93Å; D231-R234 IonicContact OD2-NE 2.72Å; D231-R234 PolarHBondContact OD2-NE 2.93Å; D231-R234 IonicContact OD2-NH2 3.44Å; H232-R234 VanDerWaalsContact C-N 3.34Å; R234-V236 HydrophobicContact CB-CG1 4.17Å; R234-E336 IonicContact NE-OE1 2.69Å
235	V	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.6	167.8	-174.1	0	0	0	0	107.3	F297 I299 V328 S334 L335 E336	V235-F297 HydrophobicContact CG1-CB 4.21Å; V235-F297 HydrophobicContact CG1-CD2 3.54Å; V235-F297 HydrophobicContact CG1-CE2 4.25Å; V235-F297 HydrophobicContact CG1-CG 4.18Å; V235-I299 HydrophobicContact CG1-CB 4.37Å; V235-I299 HydrophobicContact CG2-CB 4.38Å; V235-I299 HydrophobicContact CG2-CD1 3.52Å; V235-I299 HydrophobicContact CG2-CG1 3.84Å; V235-V328 HydrophobicContact CG2-CG1 3.95Å; V235-V328 HydrophobicContact CG2-CG2 3.75Å; V235-S334 PolarHBondContact N-O 3.48Å; V235-L335 HydrophobicContact CB-CD2 3.68Å; V235-L335 HydrophobicContact CG1-CD2 4.2Å; V235-L335 HydrophobicContact CG2-CD2 4.22Å; V235-L335 WeakPolarHBondContact O-CA 3.48Å; V235-E336 PolarHBondContact O-N 3.47Å
236	V	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.6	-168.8	-57.5	0	0	0	0	111.8	M224 R227 V228 R234 F297 V298 E336 V338	M224-V236 HydrophobicContact CB-CG2 3.65Å; M224-V236 HydrophobicContact CG-CG2 3.96Å; M224-V236 HydrophobicContact SD-CG2 4.42Å; R227-V236 HydrophobicContact CB-CG1 3.69Å; R227-V236 HydrophobicContact CG-CG1 4.34Å; V228-V236 HydrophobicContact CG2-CG2 3.92Å; R234-V236 HydrophobicContact CB-CG1 4.17Å; V236-F297 CarbonylContact O-C 3.48Å; V236-F297 WeakPolarHBondContact O-CA 3.42Å; V236-F297 WeakPolarHBondContact O-CB 3.47Å; V236-V298 HydrophobicContact CG2-CB 3.84Å; V236-V298 PolarHBondContact N-O 3.05Å; V236-V298 PolarHBondContact O-N 3.21Å; V236-E336 CarbonylContact C-O 3.59Å; V236-E336 WeakPolarHBondContact CA-O 3.39Å; V236-E336 HydrophobicContact CG1-CB 4.03Å; V236-E336 HydrophobicContact CG1-CG 4.48Å; V236-V338 HydrophobicContact CB-CG2 3.99Å; V236-V338 HydrophobicContact CG1-CG2 4.38Å
237	S	98.6	Very high	98.4	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.7	177.1	-73.6	0	0	0	0	110.6	I296 E336 I337 V338	S237-I296 WeakPolarHBondContact CB-O 3.47Å; S237-I296 PolarHBondContact OG-O 2.62Å; S237-E336 PolarHBondContact N-O 3.36Å; S237-I337 CarbonylContact O-C 3.45Å; S237-I337 VanDerWaalsContact O-CA 3.29Å; S237-I337 WeakPolarHBondContact O-CA 3.36Å; S237-V338 PolarHBondContact O-N 2.86Å
238	P	98.7	Very high	98.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	170.7	170.6	34.7	-37.2	0	0	0	110.7	M224 I240 I296 S341 V343	M224-P238 HydrophobicContact SD-CB 4.3Å; P238-I240 HydrophobicContact CG-CG1 4.35Å; P238-I240 PolarHBondContact O-N 3.21Å; P238-I296 HydrophobicContact CG-CB 4.23Å; P238-I296 HydrophobicContact CG-CG2 3.54Å; P238-S341 WeakPolarHBondContact CA-O 3.4Å; P238-S341 WeakPolarHBondContact CB-O 3.33Å; P238-S341 WeakPolarHBondContact CB-OG 3.27Å; P238-V343 HydrophobicContact CB-CB 4.31Å; P238-V343 HydrophobicContact CB-CG2 3.87Å; P238-V343 HydrophobicContact CG-CB 3.91Å; P238-V343 HydrophobicContact CG-CG2 3.69Å
239	I	98.5	Very high	98.3	Very high	8 Å²	8	34 Å²	34	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.4	152.2	-67.5	168.2	0	0	0	107.9	D241 A253 A255 I337 P339 S341 R342 V343	I239-D241 PolarHBondContact O-N 3.49Å; I239-A253 HydrophobicContact CG2-CB 3.89Å; I239-A255 HydrophobicContact CD1-CB 3.6Å; I239-I337 HydrophobicContact CG1-CG2 3.84Å; I239-P339 VanDerWaalsContact CD1-CA 3.5Å; I239-P339 HydrophobicContact CD1-CB 3.79Å; I239-S341 PolarHBondContact N-O 3.06Å; I239-R342 VanDerWaalsContact CG2-NH1 3.28Å; I239-V343 PolarHBondContact O-N 3.17Å; I239-V343 VanDerWaalsContact O-N 3.1Å
240	I	98.4	Very high	98.3	Very high	14 Å²	14	31.6 Å²	31.6	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101.9	-179.2	-52.7	177.3	0	0	0	108.4	P238 A253 W269 A293 I296 V343 H345 F347	P238-I240 HydrophobicContact CG-CG1 4.35Å; P238-I240 PolarHBondContact O-N 3.21Å; I240-A253 WeakPolarHBondContact O-CB 3.2Å; I240-W269 HydrophobicContact CD1-CH2 4.26Å; I240-W269 HydrophobicContact CD1-CZ2 4.22Å; I240-A293 HydrophobicContact CD1-CB 3.94Å; I240-I296 HydrophobicContact CD1-CD1 4.15Å; I240-I296 HydrophobicContact CG1-CD1 4.12Å; I240-I296 HydrophobicContact CG2-CD1 4.1Å; I240-V343 CarbonylContact C-O 3.18Å; I240-V343 VanDerWaalsContact CA-O 3.29Å; I240-V343 WeakPolarHBondContact CA-O 3.18Å; I240-H345 HydrophobicContact CG2-CB 3.49Å; I240-H345 VanDerWaalsContact CG2-CB 3.49Å; I240-F347 HydrophobicContact CB-CZ 4.38Å; I240-F347 HydrophobicContact CG2-CE2 3.95Å; I240-F347 HydrophobicContact CG2-CZ 3.58Å
241	D	98.5	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	161	173.9	-69.7	-30.6	0	0	0	110.5	T108 I239 Y250 L251 A252 A253 R342 V343 G344 H345	T108-D241 WeakPolarHBondContact CB-OD2 3.44Å; T108-D241 PolarHBondContact OG1-OD2 3.38Å; I239-D241 PolarHBondContact O-N 3.49Å; D241-Y250 HydrophobicContact CB-CD1 4.46Å; D241-Y250 HydrophobicContact CB-CE1 3.6Å; D241-Y250 WeakPolarHBondContact CB-OH 3.45Å; D241-Y250 WeakPolarHBondContact OD2-CE1 3.48Å; D241-Y250 VanDerWaalsContact OD2-CZ 3.31Å; D241-Y250 PolarHBondContact OD2-OH 3.4Å; D241-L251 WeakPolarHBondContact CB-O 3.48Å; D241-A252 WeakPolarHBondContact OD1-CA 3.34Å; D241-A253 PolarHBondContact OD1-N 2.86Å; D241-R342 IonicContact OD1-CZ 2.71Å; D241-R342 IonicContact OD1-NH1 2.98Å; D241-R342 PolarHBondContact OD1-NH1 2.93Å; D241-R342 WeakPolarHBondContact OD2-CD 3.48Å; D241-V343 PolarHBondContact N-O 2.82Å; D241-G344 CarbonylContact O-C 3.49Å; D241-G344 WeakPolarHBondContact O-CA 3.15Å; D241-H345 PolarHBondContact O-N 2.83Å
242	V	98.3	Very high	98.2	Very high	53 Å²	53	32.2 Å²	32.2	32%	0.321	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122	-176.3	177	0	0	0	0	109.6	L251 F347	V242-L251 HydrophobicContact CB-CB 4.27Å; V242-L251 PolarHBondContact N-O 3.49Å; V242-L251 PolarHBondContact O-N 3.09Å; V242-F347 HydrophobicContact CB-CD2 4.32Å; V242-F347 HydrophobicContact CB-CE2 4.48Å; V242-F347 HydrophobicContact CG1-CD2 4.19Å; V242-F347 HydrophobicContact CG2-CD2 3.96Å; V242-F347 HydrophobicContact CG2-CE2 3.89Å
243	I	98.7	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.6	160	-58.2	167.5	0	0	0	106.5	E215 L245 F248 A249 Y250 H345 V346	E215-I243 HydrophobicContact CB-CD1 3.91Å; E215-I243 HydrophobicContact CG-CD1 3.86Å; I243-L245 PolarHBondContact O-N 2.9Å; I243-F248 HydrophobicContact CG2-CB 4.31Å; I243-F248 HydrophobicContact CG2-CD1 3.71Å; I243-F248 HydrophobicContact CG2-CE1 4.26Å; I243-F248 HydrophobicContact CG2-CG 4.23Å; I243-A249 WeakPolarHBondContact CA-O 3.49Å; I243-Y250 HydrophobicContact CG1-CD2 4.07Å; I243-H345 PolarHBondContact N-O 2.92Å; I243-V346 HydrophobicContact CB-CG2 3.83Å; I243-V346 HydrophobicContact CD1-CG2 4.26Å; I243-V346 HydrophobicContact CG2-CG2 3.76Å
244	S	98.1	Very high	97.8	Very high	19 Å²	19	30.1 Å²	30.1	13%	0.133	18%	0.18	C	C	.	.			trans	-57.2	127.2	-179.6	171.3	0	0	0	0	111	D246 N247 F248 A249	S244-D246 PolarHBondContact O-N 2.83Å; S244-D246 PolarHBondContact OG-N 3.48Å; S244-N247 WeakPolarHBondContact CB-OD1 3.18Å; S244-N247 PolarHBondContact OG-N 3.29Å; S244-N247 PolarHBondContact OG-OD1 2.93Å; S244-F248 WeakPolarHBondContact O-CA 3.25Å; S244-F248 PolarHBondContact O-N 3.04Å; S244-A249 PolarHBondContact N-O 2.87Å
245	L	96.9	Very high	97.4	Very high	26 Å²	26	29.5 Å²	29.5	14%	0.136	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.7	178.6	70.1	106.7	0	0	0	113.3	Y86 F91 N92 I243 V346 F347 K349	Y86-L245 HydrophobicContact CD1-CD1 4.42Å; Y86-L245 HydrophobicContact CE1-CD1 3.9Å; F91-L245 HydrophobicContact CB-CB 4.01Å; N92-L245 WeakPolarHBondContact CB-O 3.4Å; N92-L245 PolarHBondContact N-O 3.03Å; I243-L245 PolarHBondContact O-N 2.9Å; L245-V346 HydrophobicContact CB-CG1 4.26Å; L245-F347 WeakPolarHBondContact CD2-O 3.34Å; L245-K349 HydrophobicContact CD2-CG 4.35Å
246	D	97.4	Very high	97	Very high	70 Å²	70	31.7 Å²	31.7	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-41.5	-174.4	-65.2	-48.7	0	0	0	113.2	Y86 N92 E95 S244	Y86-D246 WeakPolarHBondContact CE1-OD1 3.17Å; Y86-D246 PolarHBondContact OH-OD1 3.45Å; N92-D246 WeakPolarHBondContact CB-O 3.48Å; N92-D246 PolarHBondContact ND2-O 3.03Å; E95-D246 WeakPolarHBondContact CG-O 3.31Å; S244-D246 PolarHBondContact O-N 2.83Å; S244-D246 PolarHBondContact OG-N 3.48Å
247	N	97.5	Very high	96.8	Very high	96 Å²	96	33.6 Å²	33.6	51%	0.513	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	4.7	-174.2	67	9.6	0	0	0	113.7	S244 A249	S244-N247 WeakPolarHBondContact CB-OD1 3.18Å; S244-N247 PolarHBondContact OG-N 3.29Å; S244-N247 PolarHBondContact OG-OD1 2.93Å; N247-A249 PolarHBondContact O-N 2.72Å; N247-A249 VanDerWaalsContact OD1-CB 3.3Å; N247-A249 WeakPolarHBondContact OD1-CB 3.45Å; N247-A249 PolarHBondContact OD1-N 2.71Å; N247-A249 VanDerWaalsContact OD1-N 3.08Å
248	F	98.2	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.206	C	C	.	.			trans	59	16.7	178.9	-81.7	-102.7	0	0	0	115.6	F91 N92 E95 S96 L99 R103 T138 I243 S244 Y250 V346	F91-F248 HydrophobicContact CB-CE2 4.48Å; F91-F248 HydrophobicContact CB-CZ 4.45Å; F91-F248 AromaticContact CD2-CE2 3.84Å; F91-F248 HydrophobicContact CD2-CE2 3.84Å; F91-F248 AromaticContact CD2-CZ 3.5Å; F91-F248 HydrophobicContact CD2-CZ 3.5Å; F91-F248 VanDerWaalsContact CD2-CZ 3.5Å; F91-F248 AromaticContact CE2-CZ 3.87Å; F91-F248 HydrophobicContact CE2-CZ 3.87Å; F91-F248 HydrophobicContact CG-CE2 4.42Å; F91-F248 HydrophobicContact CG-CZ 4.03Å; N92-F248 WeakPolarHBondContact O-CE2 3.35Å; E95-F248 HydrophobicContact CB-CD2 4Å; S96-F248 VanDerWaalsContact CB-CZ 3.47Å; L99-F248 HydrophobicContact CD1-CB 3.4Å; L99-F248 HydrophobicContact CD1-CD1 4.17Å; L99-F248 HydrophobicContact CD1-CG 3.94Å; R103-F248 VanDerWaalsContact CZ-O 3.29Å; R103-F248 PolarHBondContact NH1-O 3.34Å; R103-F248 PolarHBondContact NH2-O 3.45Å; T138-F248 HydrophobicContact CG2-CE1 3.86Å; T138-F248 HydrophobicContact CG2-CZ 4.1Å; I243-F248 HydrophobicContact CG2-CB 4.31Å; I243-F248 HydrophobicContact CG2-CD1 3.71Å; I243-F248 HydrophobicContact CG2-CE1 4.26Å; I243-F248 HydrophobicContact CG2-CG 4.23Å; S244-F248 WeakPolarHBondContact O-CA 3.25Å; S244-F248 PolarHBondContact O-N 3.04Å; F248-Y250 PolarHBondContact O-N 3.38Å; F248-V346 HydrophobicContact CE1-CG2 3.88Å; F248-V346 HydrophobicContact CZ-CG2 4.32Å
249	A	98.2	Very high	96.5	Very high	34 Å²	34	33.8 Å²	33.8	28%	0.281	21%	0.206	S	C	.	.			trans	-58.9	132.6	171.2	0	0	0	0	0	110.5	I243 S244 N247 L251	I243-A249 WeakPolarHBondContact CA-O 3.49Å; S244-A249 PolarHBondContact N-O 2.87Å; N247-A249 PolarHBondContact O-N 2.72Å; N247-A249 VanDerWaalsContact OD1-CB 3.3Å; N247-A249 WeakPolarHBondContact OD1-CB 3.45Å; N247-A249 PolarHBondContact OD1-N 2.71Å; N247-A249 VanDerWaalsContact OD1-N 3.08Å; A249-L251 HydrophobicContact CB-CD2 4.15Å; A249-L251 HydrophobicContact CB-CG 4.32Å
250	Y	98.5	Very high	96.5	Very high	28 Å²	28	33.4 Å²	33.4	11%	0.11	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	112.9	174.3	-170.3	-70.7	0	0	0	109	I105 T108 E215 D241 I243 F248 G344	I105-Y250 HydrophobicContact CB-CD2 4.13Å; I105-Y250 HydrophobicContact CB-CG 4.15Å; I105-Y250 HydrophobicContact CD1-CD2 3.68Å; I105-Y250 HydrophobicContact CD1-CE1 4.41Å; I105-Y250 HydrophobicContact CD1-CE2 3.36Å; I105-Y250 HydrophobicContact CD1-CG 4.33Å; I105-Y250 HydrophobicContact CG2-CD2 4Å; I105-Y250 HydrophobicContact CG2-CG 4.29Å; T108-Y250 HydrophobicContact CG2-CD1 4.03Å; T108-Y250 HydrophobicContact CG2-CE1 3.65Å; E215-Y250 HydrophobicContact CB-CD2 4.46Å; E215-Y250 HydrophobicContact CB-CE2 4.31Å; D241-Y250 HydrophobicContact CB-CD1 4.46Å; D241-Y250 HydrophobicContact CB-CE1 3.6Å; D241-Y250 WeakPolarHBondContact CB-OH 3.45Å; D241-Y250 WeakPolarHBondContact OD2-CE1 3.48Å; D241-Y250 VanDerWaalsContact OD2-CZ 3.31Å; D241-Y250 PolarHBondContact OD2-OH 3.4Å; I243-Y250 HydrophobicContact CG1-CD2 4.07Å; F248-Y250 PolarHBondContact O-N 3.38Å; Y250-G344 VanDerWaalsContact CE2-CA 3.43Å; Y250-G344 PolarHBondContact OH-N 3.2Å; Y250-G344 VanDerWaalsContact OH-N 3.15Å
251	L	97.9	Very high	96.4	Very high	90 Å²	90	32.8 Å²	32.8	47%	0.471	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.8	-171.1	-56.7	174	0	0	0	110.2	D241 V242 A249 A253	D241-L251 WeakPolarHBondContact CB-O 3.48Å; V242-L251 HydrophobicContact CB-CB 4.27Å; V242-L251 PolarHBondContact N-O 3.49Å; V242-L251 PolarHBondContact O-N 3.09Å; A249-L251 HydrophobicContact CB-CD2 4.15Å; A249-L251 HydrophobicContact CB-CG 4.32Å; L251-A253 PolarHBondContact O-N 3.42Å
252	A	97.1	Very high	96.2	Very high	66 Å²	66	35.4 Å²	35.4	55%	0.545	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-63.7	131.8	179.2	0	0	0	0	0	111.4	T108 D241	T108-A252 HydrophobicContact CG2-CB 3.66Å; D241-A252 WeakPolarHBondContact OD1-CA 3.34Å
253	A	95.6	Very high	96	Very high	23 Å²	23	33.8 Å²	33.8	19%	0.19	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-85.3	156.5	167.4	0	0	0	0	0	111.1	I239 I240 D241 L251 R342	I239-A253 HydrophobicContact CG2-CB 3.89Å; I240-A253 WeakPolarHBondContact O-CB 3.2Å; D241-A253 PolarHBondContact OD1-N 2.86Å; L251-A253 PolarHBondContact O-N 3.42Å; A253-R342 PolarHBondContact O-NH1 2.86Å
254	S	92.8	Very high	95.7	Very high	54 Å²	54	34.6 Å²	34.6	38%	0.378	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-64.1	136.9	175.3	176.9	0	0	0	0	110.9	D256	S254-D256 PolarHBondContact OG-N 2.96Å
255	A	89.8	Confident	95.6	Very high	30 Å²	30	33.7 Å²	33.7	25%	0.248	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-6.5	174.6	0	0	0	0	0	113.5	I239 L257 I287	I239-A255 HydrophobicContact CD1-CB 3.6Å; A255-L257 VanDerWaalsContact C-N 3.31Å; A255-I287 VanDerWaalsContact O-CD1 3.28Å; A255-I287 WeakPolarHBondContact O-CD1 3.37Å
256	D	90.8	Very high	95.5	Very high	46 Å²	46	37.3 Å²	37.3	25%	0.246	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	16.3	-179.6	-65.8	-22	0	0	0	112.4	S254 Q271 I272 K277	S254-D256 PolarHBondContact OG-N 2.96Å; D256-Q271 CarbonylContact O-C 3.59Å; D256-Q271 WeakPolarHBondContact O-CA 3.3Å; D256-I272 WeakPolarHBondContact O-CG1 3.14Å; D256-I272 PolarHBondContact O-N 2.71Å; D256-K277 WeakPolarHBondContact OD2-CE 3.36Å; D256-K277 IonicContact OD2-NZ 3.11Å; D256-K277 PolarHBondContact OD2-NZ 3.46Å
257	L	93.4	Very high	95.5	Very high	40 Å²	40	36 Å²	36	21%	0.209	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.6	-179.9	-65.4	175.1	0	0	0	111.5	A255 W269 E270 Q271	A255-L257 VanDerWaalsContact C-N 3.31Å; L257-W269 HydrophobicContact CB-CE3 4.12Å; L257-W269 HydrophobicContact CD1-CB 4.27Å; L257-W269 HydrophobicContact CD2-CB 4.33Å; L257-E270 CarbonylContact C-O 3.53Å; L257-E270 WeakPolarHBondContact CA-O 3.25Å; L257-Q271 HydrophobicContact CD2-CG 4.47Å; L257-Q271 VanDerWaalsContact CD2-NE2 3.32Å
258	R	95.4	Very high	95.3	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.4	166.4	70.1	-179.3	-168.7	171.1	7.9	110.4	E270 P273 I287 I337 E422	R258-E270 PolarHBondContact N-O 3.49Å; R258-E270 PolarHBondContact O-N 3.11Å; R258-P273 VanDerWaalsContact CZ-CD 3.49Å; R258-I287 HydrophobicContact CB-CG2 4.26Å; R258-I337 HydrophobicContact CB-CD1 4.23Å; R258-E422 IonicContact CZ-OE1 3.77Å; R258-E422 IonicContact CZ-OE2 3.62Å; R258-E422 IonicContact NH1-OE1 2.74Å; R258-E422 IonicContact NH2-OE1 3.78Å; R258-E422 PolarHBondContact NH2-OE1 2.93Å; R258-E422 IonicContact NH2-OE2 2.72Å; R258-E422 PolarHBondContact NH2-OE2 3.1Å
259	G	97.4	Very high	95.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.8	176.5	0	0	0	0	0	111.4	T289 P290 V291	G259-T289 WeakPolarHBondContact CA-OG1 3.24Å; G259-T289 PolarHBondContact N-OG1 3.29Å; G259-T289 PolarHBondContact O-OG1 3.33Å; G259-P290 VanDerWaalsContact O-CD 3.26Å; G259-P290 WeakPolarHBondContact O-CD 3.35Å; G259-V291 VanDerWaalsContact C-CG1 3.46Å; G259-V291 WeakPolarHBondContact CA-O 3.07Å
260	G	97.6	Very high	95	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	179.2	173.6	0	0	0	0	0	111.1	K268 Y420	G260-K268 CarbonylContact C-O 3.48Å; G260-K268 PolarHBondContact N-O 3.29Å; G260-K268 PolarHBondContact O-N 2.62Å; G260-K268 VanDerWaalsContact O-O 3.09Å; G260-Y420 VanDerWaalsContact CA-OH 3.29Å; G260-Y420 WeakPolarHBondContact CA-OH 3.49Å
261	F	97.3	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.6	177	64.6	-84.4	0	0	0	112.4	L265 H266 K268 V291 F322 F326 F412 Y415 Y420 L423	F261-L265 HydrophobicContact CD2-CD2 3.94Å; F261-L265 HydrophobicContact CE2-CD2 4.01Å; F261-H266 WeakPolarHBondContact CA-O 3.39Å; F261-H266 VanDerWaalsContact CB-O 3.27Å; F261-H266 WeakPolarHBondContact CB-O 3.45Å; F261-K268 WeakPolarHBondContact O-CE 3.25Å; F261-V291 HydrophobicContact CD1-CB 4.3Å; F261-V291 HydrophobicContact CD1-CG1 4Å; F261-F322 HydrophobicContact CB-CD1 4.36Å; F261-F322 HydrophobicContact CB-CE1 3.6Å; F261-F322 HydrophobicContact CB-CZ 4.34Å; F261-F322 HydrophobicContact CD1-CD1 4.44Å; F261-F322 HydrophobicContact CD1-CE1 4.4Å; F261-F322 HydrophobicContact CG-CD1 4.32Å; F261-F322 HydrophobicContact CG-CE1 4.04Å; F261-F326 HydrophobicContact CD1-CE1 4.47Å; F261-F326 AromaticContact CE1-CE1 3.57Å; F261-F326 HydrophobicContact CE1-CE1 3.57Å; F261-F326 AromaticContact CE1-CZ 3.92Å; F261-F326 HydrophobicContact CE1-CZ 3.92Å; F261-F326 HydrophobicContact CE2-CE1 4.33Å; F261-F326 AromaticContact CE2-CZ 3.86Å; F261-F326 HydrophobicContact CE2-CZ 3.86Å; F261-F326 AromaticContact CZ-CE1 3.49Å; F261-F326 HydrophobicContact CZ-CE1 3.49Å; F261-F326 VanDerWaalsContact CZ-CE1 3.49Å; F261-F326 AromaticContact CZ-CZ 3.47Å; F261-F326 HydrophobicContact CZ-CZ 3.47Å; F261-F326 VanDerWaalsContact CZ-CZ 3.47Å; F261-F412 HydrophobicContact CZ-CZ 4.34Å; F261-Y415 HydrophobicContact CE1-CE1 4.18Å; F261-Y415 HydrophobicContact CZ-CE1 4.1Å; F261-Y420 HydrophobicContact CD1-CD1 4.02Å; F261-Y420 AromaticContact CD1-CE1 3.63Å; F261-Y420 HydrophobicContact CD1-CE1 3.63Å; F261-Y420 AromaticContact CE1-CD1 3.49Å; F261-Y420 HydrophobicContact CE1-CD1 3.49Å; F261-Y420 VanDerWaalsContact CE1-CD1 3.49Å; F261-Y420 AromaticContact CE1-CE1 3.6Å; F261-Y420 HydrophobicContact CE1-CE1 3.6Å; F261-Y420 HydrophobicContact CG-CE1 4.24Å; F261-Y420 AromaticContact CZ-CD1 3.97Å; F261-Y420 HydrophobicContact CZ-CD1 3.97Å; F261-Y420 HydrophobicContact CZ-CE1 4.19Å; F261-Y420 PolarHBondContact N-OH 2.93Å; F261-Y420 VanDerWaalsContact N-OH 3.14Å; F261-Y420 PolarHBondContact O-OH 3.43Å; F261-L423 HydrophobicContact CD2-CD2 4.28Å; F261-L423 HydrophobicContact CE2-CD2 3.57Å; F261-L423 HydrophobicContact CZ-CD2 3.71Å; F261-L423 WeakPolarHBondContact O-CD1 3.11Å
262	D	93.9	Very high	94.4	Very high	56 Å²	56	39.7 Å²	39.7	30%	0.299	21%	0.211	S	C	.	.			trans	-101.5	170.7	169.1	66.1	34.4	0	0	0	111.8	S264 L265 H266	D262-S264 PolarHBondContact O-N 3.15Å; D262-S264 WeakPolarHBondContact OD1-CA 3.36Å; D262-S264 VanDerWaalsContact OD1-CB 3.23Å; D262-S264 WeakPolarHBondContact OD1-CB 3.38Å; D262-S264 PolarHBondContact OD1-N 2.77Å; D262-S264 PolarHBondContact OD1-OG 2.94Å; D262-L265 WeakPolarHBondContact O-CA 3.21Å; D262-L265 PolarHBondContact O-N 3.4Å; D262-H266 PolarHBondContact N-O 2.83Å; D262-H266 PolarHBondContact OD1-N 2.87Å
263	W	94	Very high	94.1	Very high	18 Å²	18	37.8 Å²	37.8	7%	0.068	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.8	-178.8	-68.7	101.7	0	0	0	114.1	L265 M375 Y378 Y381 Y382 A385 F412 L416 L423 T424 I425 P426	W263-L265 PolarHBondContact O-N 3.17Å; W263-M375 HydrophobicContact CE3-CE 3.93Å; W263-M375 HydrophobicContact CZ3-CE 3.89Å; W263-Y378 HydrophobicContact CH2-CD1 4.02Å; W263-Y381 HydrophobicContact CD2-CG 4.33Å; W263-Y381 VanDerWaalsContact CE3-CB 3.42Å; W263-Y381 HydrophobicContact CE3-CD2 4.16Å; W263-Y381 HydrophobicContact CE3-CG 4.16Å; W263-Y381 HydrophobicContact CH2-CD2 4.05Å; W263-Y381 AromaticContact CZ3-CD2 3.88Å; W263-Y381 HydrophobicContact CZ3-CD2 3.88Å; W263-Y381 HydrophobicContact CZ3-CG 4.35Å; W263-Y382 WeakPolarHBondContact O-CA 3.34Å; W263-A385 HydrophobicContact CB-CB 4.06Å; W263-F412 HydrophobicContact CH2-CE1 4.26Å; W263-F412 HydrophobicContact CZ3-CE1 4.05Å; W263-L416 HydrophobicContact CH2-CD1 4.05Å; W263-L416 HydrophobicContact CH2-CD2 4.2Å; W263-L423 HydrophobicContact CH2-CD2 4.26Å; W263-L423 HydrophobicContact CZ2-CD2 3.96Å; W263-L423 HydrophobicContact CZ2-CG 3.86Å; W263-T424 PolarHBondContact NE1-O 2.95Å; W263-I425 HydrophobicContact CH2-CG1 4.22Å; W263-I425 HydrophobicContact CZ2-CB 4.28Å; W263-I425 HydrophobicContact CZ2-CG1 3.78Å; W263-P426 HydrophobicContact CG-CG 4.19Å
264	S	92.2	Very high	93.6	Very high	18 Å²	18	42.7 Å²	42.7	13%	0.126	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	3.5	173.2	87.9	0	0	0	0	113.5	D262 H266 R386	D262-S264 PolarHBondContact O-N 3.15Å; D262-S264 WeakPolarHBondContact OD1-CA 3.36Å; D262-S264 VanDerWaalsContact OD1-CB 3.23Å; D262-S264 WeakPolarHBondContact OD1-CB 3.38Å; D262-S264 PolarHBondContact OD1-N 2.77Å; D262-S264 PolarHBondContact OD1-OG 2.94Å; S264-H266 VanDerWaalsContact C-N 3.3Å; S264-R386 PolarHBondContact O-NE 2.97Å; S264-R386 PolarHBondContact O-NH2 2.89Å; S264-R386 PolarHBondContact OG-NH2 3.49Å
265	L	96.6	Very high	93.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.			trans	56.6	40.8	-169.4	-66.1	176	0	0	0	112	F261 D262 W263 F322 F326 Y363 T367 A371 M375 Y382	F261-L265 HydrophobicContact CD2-CD2 3.94Å; F261-L265 HydrophobicContact CE2-CD2 4.01Å; D262-L265 WeakPolarHBondContact O-CA 3.21Å; D262-L265 PolarHBondContact O-N 3.4Å; W263-L265 PolarHBondContact O-N 3.17Å; L265-F322 HydrophobicContact CB-CD2 4.28Å; L265-F322 HydrophobicContact CB-CE2 4.26Å; L265-F322 HydrophobicContact CD2-CD1 4.47Å; L265-F322 HydrophobicContact CD2-CG 4.39Å; L265-F322 WeakPolarHBondContact O-CE2 3.19Å; L265-F322 WeakPolarHBondContact O-CZ 3.37Å; L265-F326 HydrophobicContact CD2-CE2 4.08Å; L265-F326 HydrophobicContact CD2-CZ 3.95Å; L265-Y363 PolarHBondContact O-OH 2.71Å; L265-T367 HydrophobicContact CB-CG2 4.09Å; L265-T367 HydrophobicContact CD1-CG2 4.38Å; L265-A371 HydrophobicContact CD1-CB 4.33Å; L265-M375 HydrophobicContact CD1-SD 3.97Å; L265-M375 HydrophobicContact CD2-SD 3.96Å; L265-M375 HydrophobicContact CG-SD 4.22Å; L265-Y382 HydrophobicContact CB-CD2 4.25Å; L265-Y382 HydrophobicContact CB-CE2 4.32Å; L265-Y382 HydrophobicContact CD1-CD2 3.76Å; L265-Y382 HydrophobicContact CD1-CE2 3.94Å; L265-Y382 HydrophobicContact CD1-CG 4.46Å; L265-Y382 HydrophobicContact CG-CD2 3.8Å; L265-Y382 HydrophobicContact CG-CE2 4.23Å
266	H	94.8	Very high	93.1	Very high	102 Å²	102	49.3 Å²	49.3	47%	0.472	24%	0.236	S	C	.	.			trans	-94	131	171.1	-175.3	70.8	0	0	0	110.8	F261 D262 S264	F261-H266 WeakPolarHBondContact CA-O 3.39Å; F261-H266 VanDerWaalsContact CB-O 3.27Å; F261-H266 WeakPolarHBondContact CB-O 3.45Å; D262-H266 PolarHBondContact N-O 2.83Å; D262-H266 PolarHBondContact OD1-N 2.87Å; S264-H266 VanDerWaalsContact C-N 3.3Å
267	F	96.3	Very high	92.9	Very high	42 Å²	42	51.2 Å²	51.2	18%	0.184	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.8	-178.7	175	-89.6	0	0	0	109.8	W269 V291 A293 F322	F267-W269 AromaticContact CE1-CD2 3.99Å; F267-W269 HydrophobicContact CE1-CD2 3.99Å; F267-W269 AromaticContact CE1-CE2 3.68Å; F267-W269 HydrophobicContact CE1-CG 4.24Å; F267-W269 HydrophobicContact CE1-CZ2 4.09Å; F267-W269 AromaticContact CE1-NE1 3.74Å; F267-W269 AromaticContact CZ-CD2 3.98Å; F267-W269 HydrophobicContact CZ-CD2 3.98Å; F267-W269 AromaticContact CZ-CE2 3.85Å; F267-W269 HydrophobicContact CZ-CE3 4.16Å; F267-W269 HydrophobicContact CZ-CH2 4.15Å; F267-W269 AromaticContact CZ-CZ2 3.95Å; F267-W269 HydrophobicContact CZ-CZ2 3.95Å; F267-W269 HydrophobicContact CZ-CZ3 4.25Å; F267-V291 HydrophobicContact CD2-CG1 3.92Å; F267-V291 HydrophobicContact CD2-CG2 4.47Å; F267-V291 HydrophobicContact CE2-CG1 3.99Å; F267-A293 HydrophobicContact CE1-CB 4.32Å; F267-A293 HydrophobicContact CE2-CB 4.31Å; F267-A293 HydrophobicContact CZ-CB 3.93Å; F267-F322 HydrophobicContact CB-CE1 4.31Å; F267-F322 HydrophobicContact CB-CZ 3.81Å
268	K	94	Very high	92.5	Very high	78 Å²	78	56.2 Å²	56.2	34%	0.339	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.9	173.6	51.7	174	164.4	154.5	0	110.6	G260 F261 E270	G260-K268 CarbonylContact C-O 3.48Å; G260-K268 PolarHBondContact N-O 3.29Å; G260-K268 PolarHBondContact O-N 2.62Å; G260-K268 VanDerWaalsContact O-O 3.09Å; F261-K268 WeakPolarHBondContact O-CE 3.25Å; K268-E270 HydrophobicContact CD-CG 4.15Å; K268-E270 WeakPolarHBondContact CD-OE1 3.41Å; K268-E270 WeakPolarHBondContact CE-OE1 3.24Å; K268-E270 HydrophobicContact CG-CG 4.12Å; K268-E270 IonicContact NZ-OE1 2.78Å; K268-E270 PolarHBondContact NZ-OE1 3.32Å
269	W	94.8	Very high	92.1	Very high	95 Å²	95	60.9 Å²	60.9	36%	0.36	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	128.8	166.9	-66.9	108.3	0	0	0	109.2	I240 L257 F267 A293 I337	I240-W269 HydrophobicContact CD1-CH2 4.26Å; I240-W269 HydrophobicContact CD1-CZ2 4.22Å; L257-W269 HydrophobicContact CB-CE3 4.12Å; L257-W269 HydrophobicContact CD1-CB 4.27Å; L257-W269 HydrophobicContact CD2-CB 4.33Å; F267-W269 AromaticContact CE1-CD2 3.99Å; F267-W269 HydrophobicContact CE1-CD2 3.99Å; F267-W269 AromaticContact CE1-CE2 3.68Å; F267-W269 HydrophobicContact CE1-CG 4.24Å; F267-W269 HydrophobicContact CE1-CZ2 4.09Å; F267-W269 AromaticContact CE1-NE1 3.74Å; F267-W269 AromaticContact CZ-CD2 3.98Å; F267-W269 HydrophobicContact CZ-CD2 3.98Å; F267-W269 AromaticContact CZ-CE2 3.85Å; F267-W269 HydrophobicContact CZ-CE3 4.16Å; F267-W269 HydrophobicContact CZ-CH2 4.15Å; F267-W269 AromaticContact CZ-CZ2 3.95Å; F267-W269 HydrophobicContact CZ-CZ2 3.95Å; F267-W269 HydrophobicContact CZ-CZ3 4.25Å; W269-A293 HydrophobicContact CH2-CB 4.46Å; W269-A293 HydrophobicContact CZ2-CB 4.24Å; W269-I337 HydrophobicContact CZ3-CD1 4.19Å
270	E	94.4	Very high	91.7	Very high	36 Å²	36	63.3 Å²	63.3	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147	178.1	-61.1	-170.3	152.4	0	0	110.1	L257 R258 K268 Y420	L257-E270 CarbonylContact C-O 3.53Å; L257-E270 WeakPolarHBondContact CA-O 3.25Å; R258-E270 PolarHBondContact N-O 3.49Å; R258-E270 PolarHBondContact O-N 3.11Å; K268-E270 HydrophobicContact CD-CG 4.15Å; K268-E270 WeakPolarHBondContact CD-OE1 3.41Å; K268-E270 WeakPolarHBondContact CE-OE1 3.24Å; K268-E270 HydrophobicContact CG-CG 4.12Å; K268-E270 IonicContact NZ-OE1 2.78Å; K268-E270 PolarHBondContact NZ-OE1 3.32Å; E270-Y420 PolarHBondContact OE1-OH 3.31Å; E270-Y420 WeakPolarHBondContact OE2-CE2 3.36Å; E270-Y420 PolarHBondContact OE2-OH 2.84Å
271	Q	93.3	Very high	91.2	Very high	110 Å²	110	69.8 Å²	69.8	51%	0.514	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	143.4	168.8	-67.4	-72.2	-43.6	0	0	109.4	D256 L257	D256-Q271 CarbonylContact O-C 3.59Å; D256-Q271 WeakPolarHBondContact O-CA 3.3Å; L257-Q271 HydrophobicContact CD2-CG 4.47Å; L257-Q271 VanDerWaalsContact CD2-NE2 3.32Å
272	I	91.6	Very high	91	Very high	7 Å²	7	72.3 Å²	72.3	4%	0.036	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-56.2	137.2	168.5	-63.9	166.1	0	0	0	108.7	D256 Q276 I287	D256-I272 WeakPolarHBondContact O-CG1 3.14Å; D256-I272 PolarHBondContact O-N 2.71Å; I272-Q276 HydrophobicContact CG2-CB 3.64Å; I272-Q276 HydrophobicContact CG2-CG 3.58Å; I272-I287 HydrophobicContact CD1-CD1 3.61Å; I272-I287 HydrophobicContact CD1-CG1 3.89Å; I272-I287 HydrophobicContact CD1-CG2 3.84Å; I272-I287 HydrophobicContact CG1-CG2 3.98Å
273	P	89.2	Confident	90.9	Very high	27 Å²	27	71.7 Å²	71.7	18%	0.175	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-51.8	143.2	177.2	-26.2	32.7	0	0	0	112	R258 E275 Q276 K277 E422	R258-P273 VanDerWaalsContact CZ-CD 3.49Å; P273-E275 VanDerWaalsContact C-N 3.26Å; P273-E275 PolarHBondContact O-N 3Å; P273-Q276 HydrophobicContact CB-CB 4.45Å; P273-Q276 PolarHBondContact O-N 2.8Å; P273-K277 PolarHBondContact O-N 2.73Å; P273-E422 HydrophobicContact CG-CG 4.14Å; P273-E422 WeakPolarHBondContact CG-OE1 3.39Å
274	L	86.4	Confident	91	Very high	126 Å²	126	71.8 Å²	71.8	66%	0.66	36%	0.36	S	S	*	.	H	α-helix	trans	-55.7	-42.1	-174.7	-176.7	63	0	0	0	112.2	Q276 K277 M278	L274-Q276 PolarHBondContact O-N 3.3Å; L274-K277 WeakPolarHBondContact O-CB 3.4Å; L274-K277 PolarHBondContact O-N 2.81Å; L274-K277 VanDerWaalsContact O-N 3.14Å; L274-M278 HydrophobicContact CD1-CG 4.2Å; L274-M278 HydrophobicContact CD1-SD 4.3Å; L274-M278 HydrophobicContact CD2-SD 4.49Å; L274-M278 HydrophobicContact CG-CG 4.33Å; L274-M278 HydrophobicContact CG-SD 3.99Å; L274-M278 VanDerWaalsContact O-CG 3.28Å; L274-M278 WeakPolarHBondContact O-CG 3.36Å; L274-M278 PolarHBondContact O-N 3.34Å
275	E	85.1	Confident	91.1	Very high	166 Å²	166	78.4 Å²	78.4	78%	0.776	38%	0.382	S	S	*	.	H	α-helix	trans	-59.5	-45.2	177.2	-63.9	176.3	-178.7	0	0	112.2	P273 K277 M278 T279	P273-E275 VanDerWaalsContact C-N 3.26Å; P273-E275 PolarHBondContact O-N 3Å; E275-K277 VanDerWaalsContact C-N 3.33Å; E275-M278 PolarHBondContact O-N 3.45Å; E275-T279 WeakPolarHBondContact O-CG2 3.38Å; E275-T279 PolarHBondContact O-N 2.82Å; E275-T279 VanDerWaalsContact O-N 3.11Å; E275-T279 PolarHBondContact O-OG1 2.78Å
276	Q	86	Confident	91.1	Very high	57 Å²	57	80 Å²	80	27%	0.266	39%	0.392	S	S	.	.	H	α-helix	trans	-67.9	-35.7	176	-175.8	-179.5	2	0	0	111.2	I272 P273 L274 T279 R280	I272-Q276 HydrophobicContact CG2-CB 3.64Å; I272-Q276 HydrophobicContact CG2-CG 3.58Å; P273-Q276 HydrophobicContact CB-CB 4.45Å; P273-Q276 PolarHBondContact O-N 2.8Å; L274-Q276 PolarHBondContact O-N 3.3Å; Q276-T279 WeakPolarHBondContact CA-OG1 3.46Å; Q276-T279 PolarHBondContact O-OG1 3.2Å; Q276-R280 VanDerWaalsContact O-CB 3.29Å; Q276-R280 WeakPolarHBondContact O-CB 3.38Å; Q276-R280 PolarHBondContact O-N 3.07Å
277	K	86.2	Confident	91.2	Very high	85 Å²	85	75.2 Å²	75.2	37%	0.37	37%	0.37	S	S	.	.	H	α-helix	trans	-66.1	-40.3	176	-172.3	172.3	-173.5	161.8	0	112.1	D256 P273 L274 E275	D256-K277 WeakPolarHBondContact OD2-CE 3.36Å; D256-K277 IonicContact OD2-NZ 3.11Å; D256-K277 PolarHBondContact OD2-NZ 3.46Å; P273-K277 PolarHBondContact O-N 2.73Å; L274-K277 WeakPolarHBondContact O-CB 3.4Å; L274-K277 PolarHBondContact O-N 2.81Å; L274-K277 VanDerWaalsContact O-N 3.14Å; E275-K277 VanDerWaalsContact C-N 3.33Å
278	M	86.3	Confident	91.2	Very high	146 Å²	146	79.2 Å²	79.2	72%	0.719	38%	0.384	S	S	*	.	H	α-helix	trans	-72.5	-32.5	179.9	-68.9	179.3	94.5	0	0	112.9	L274 E275 R280	L274-M278 HydrophobicContact CD1-CG 4.2Å; L274-M278 HydrophobicContact CD1-SD 4.3Å; L274-M278 HydrophobicContact CD2-SD 4.49Å; L274-M278 HydrophobicContact CG-CG 4.33Å; L274-M278 HydrophobicContact CG-SD 3.99Å; L274-M278 VanDerWaalsContact O-CG 3.28Å; L274-M278 WeakPolarHBondContact O-CG 3.36Å; L274-M278 PolarHBondContact O-N 3.34Å; E275-M278 PolarHBondContact O-N 3.45Å; M278-R280 VanDerWaalsContact C-N 3.35Å
279	T	87.1	Confident	91.4	Very high	108 Å²	108	75.6 Å²	75.6	66%	0.663	37%	0.368	S	S	*	.	H	α-helix	trans	-81.6	-15	178.1	50.4	0	0	0	0	113.4	E275 Q276 T281	E275-T279 WeakPolarHBondContact O-CG2 3.38Å; E275-T279 PolarHBondContact O-N 2.82Å; E275-T279 VanDerWaalsContact O-N 3.11Å; E275-T279 PolarHBondContact O-OG1 2.78Å; Q276-T279 WeakPolarHBondContact CA-OG1 3.46Å; Q276-T279 PolarHBondContact O-OG1 3.2Å; T279-T281 PolarHBondContact O-N 2.88Å; T279-T281 VanDerWaalsContact O-N 3.15Å
280	R	87.7	Confident	91.5	Very high	52 Å²	52	71.1 Å²	71.1	20%	0.196	35%	0.351	C	S	.	.			trans	-79.2	95.2	179.6	-178.2	-178.7	173	74.3	0.9	111.1	Q276 M278 D282 P283 R285	Q276-R280 VanDerWaalsContact O-CB 3.29Å; Q276-R280 WeakPolarHBondContact O-CB 3.38Å; Q276-R280 PolarHBondContact O-N 3.07Å; M278-R280 VanDerWaalsContact C-N 3.35Å; R280-D282 VanDerWaalsContact CZ-O 3.3Å; R280-D282 PolarHBondContact NH1-O 3.42Å; R280-D282 PolarHBondContact NH2-O 2.59Å; R280-P283 PolarHBondContact NH2-O 3.22Å; R280-R285 VanDerWaalsContact CZ-O 3.26Å; R280-R285 PolarHBondContact NH1-O 2.91Å; R280-R285 PolarHBondContact NH2-O 2.9Å
281	T	88.4	Confident	91.7	Very high	137 Å²	137	69.4 Å²	69.4	84%	0.84	34%	0.343	S	S	*	.			trans	-83.6	-25.7	176.8	52.6	0	0	0	0	113.7	T279	T279-T281 PolarHBondContact O-N 2.88Å; T279-T281 VanDerWaalsContact O-N 3.15Å
282	D	92.8	Very high	91.9	Very high	52 Å²	52	64.3 Å²	64.3	28%	0.278	32%	0.32	S	S	.	.			trans	-112.2	110.2	-178.9	178.5	-1.4	0	0	0	110.8	R280 T284 R285	R280-D282 VanDerWaalsContact CZ-O 3.3Å; R280-D282 PolarHBondContact NH1-O 3.42Å; R280-D282 PolarHBondContact NH2-O 2.59Å; D282-T284 VanDerWaalsContact CG-OG1 3.22Å; D282-T284 PolarHBondContact O-N 3.29Å; D282-T284 VanDerWaalsContact OD1-CB 3.31Å; D282-T284 WeakPolarHBondContact OD1-CB 3.2Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D282-T284 PolarHBondContact OD1-N 3.02Å; D282-T284 PolarHBondContact OD1-OG1 2.89Å; D282-T284 PolarHBondContact OD2-OG1 2.83Å; D282-T284 VanDerWaalsContact OD2-OG1 3.14Å; D282-R285 HydrophobicContact CB-CG 3.76Å; D282-R285 PolarHBondContact O-N 3.44Å; D282-R285 WeakPolarHBondContact OD2-CG 3.3Å; D282-R285 IonicContact OD2-NE 3.21Å
283	P	92.6	Very high	92.1	Very high	44 Å²	44	65.6 Å²	65.6	29%	0.286	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.1	-178.6	31.1	-35.4	0	0	0	113.7	H110 R280	H110-P283 WeakPolarHBondContact CE1-CG 3.41Å; R280-P283 PolarHBondContact NH2-O 3.22Å
284	T	95.1	Very high	92.3	Very high	20 Å²	20	64.3 Å²	64.3	12%	0.123	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-18.7	175.2	74	0	0	0	0	112.8	V116 D282 C340	V116-T284 HydrophobicContact CG2-CG2 3.94Å; D282-T284 VanDerWaalsContact CG-OG1 3.22Å; D282-T284 PolarHBondContact O-N 3.29Å; D282-T284 VanDerWaalsContact OD1-CB 3.31Å; D282-T284 WeakPolarHBondContact OD1-CB 3.2Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D282-T284 PolarHBondContact OD1-N 3.02Å; D282-T284 PolarHBondContact OD1-OG1 2.89Å; D282-T284 PolarHBondContact OD2-OG1 2.83Å; D282-T284 VanDerWaalsContact OD2-OG1 3.14Å; T284-C340 VanDerWaalsContact CB-SG 3.55Å
285	R	94.8	Very high	92.6	Very high	157 Å²	157	58.9 Å²	58.9	59%	0.592	30%	0.297	S	S	*	.	S	Bend	trans	-62.6	143.8	-177	-74.4	-73	-173.8	151.4	3.8	112	R280 D282 P339	R280-R285 VanDerWaalsContact CZ-O 3.26Å; R280-R285 PolarHBondContact NH1-O 2.91Å; R280-R285 PolarHBondContact NH2-O 2.9Å; D282-R285 HydrophobicContact CB-CG 3.76Å; D282-R285 PolarHBondContact O-N 3.44Å; D282-R285 WeakPolarHBondContact OD2-CG 3.3Å; D282-R285 IonicContact OD2-NE 3.21Å; R285-P339 WeakPolarHBondContact O-CD 3.35Å; R285-P339 WeakPolarHBondContact O-CG 3.45Å
286	P	96.2	Very high	93.3	Very high	34 Å²	34	51 Å²	51	22%	0.221	26%	0.261	C	S	.	.			trans	-58	151.3	172.2	-22.7	32.3	0	0	0	113.2	R227 E336 I337	R227-P286 HydrophobicContact CG-CG 4.33Å; P286-E336 HydrophobicContact CB-CB 4.12Å; P286-E336 HydrophobicContact CB-CG 4.46Å; P286-I337 CarbonylContact C-O 3.47Å; P286-I337 WeakPolarHBondContact CA-O 3.48Å
287	I	96.1	Very high	93.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.5	178.3	-61.7	152.8	0	0	0	108	A255 R258 I272 T289 E336 I337 P339	A255-I287 VanDerWaalsContact O-CD1 3.28Å; A255-I287 WeakPolarHBondContact O-CD1 3.37Å; R258-I287 HydrophobicContact CB-CG2 4.26Å; I272-I287 HydrophobicContact CD1-CD1 3.61Å; I272-I287 HydrophobicContact CD1-CG1 3.89Å; I272-I287 HydrophobicContact CD1-CG2 3.84Å; I272-I287 HydrophobicContact CG1-CG2 3.98Å; I287-T289 PolarHBondContact O-N 3.44Å; I287-E336 CarbonylContact O-C 3.56Å; I287-E336 VanDerWaalsContact O-CA 3.31Å; I287-E336 WeakPolarHBondContact O-CA 2.99Å; I287-I337 HydrophobicContact CB-CB 4.43Å; I287-I337 PolarHBondContact N-O 2.71Å; I287-I337 PolarHBondContact O-N 3.18Å; I287-P339 HydrophobicContact CD1-CG 3.94Å; I287-P339 HydrophobicContact CG1-CG 4.44Å
288	R	96.6	Very high	94.5	Very high	126 Å²	126	44.3 Å²	44.3	48%	0.475	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.8	171.2	-70.6	-178.2	63.3	179.7	0.1	110	W329 L335	R288-W329 HydrophobicContact CB-CH2 4.43Å; R288-W329 HydrophobicContact CB-CZ2 4.48Å; R288-W329 HydrophobicContact CG-CH2 4.31Å; R288-L335 WeakPolarHBondContact CA-O 3.24Å
289	T	98.2	Very high	95.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.196	C	C	.	.			trans	-121.4	131.1	-178.9	-171	0	0	0	0	111	G259 I287 V291 I292 W329 L335 I337	G259-T289 WeakPolarHBondContact CA-OG1 3.24Å; G259-T289 PolarHBondContact N-OG1 3.29Å; G259-T289 PolarHBondContact O-OG1 3.33Å; I287-T289 PolarHBondContact O-N 3.44Å; T289-V291 VanDerWaalsContact C-N 3.28Å; T289-V291 PolarHBondContact O-N 3.19Å; T289-V291 PolarHBondContact OG1-O 3.48Å; T289-I292 HydrophobicContact CG2-CG2 3.91Å; T289-W329 WeakPolarHBondContact O-CZ2 3.44Å; T289-W329 PolarHBondContact O-NE1 3.14Å; T289-L335 HydrophobicContact CG2-CB 3.71Å; T289-L335 PolarHBondContact N-O 2.96Å; T289-L335 WeakPolarHBondContact O-CB 3.38Å; T289-I337 HydrophobicContact CG2-CD1 4.28Å; T289-I337 HydrophobicContact CG2-CG1 4.02Å
290	P	98.3	Very high	95.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	17%	0.17	C	C	.	.	S	Bend	trans	-54.9	-44.1	174.1	-29.8	34.2	0	0	0	113.3	G259 W329 Y415 V419 Y420	G259-P290 VanDerWaalsContact O-CD 3.26Å; G259-P290 WeakPolarHBondContact O-CD 3.35Å; P290-W329 VanDerWaalsContact O-CD1 3.3Å; P290-W329 PolarHBondContact O-NE1 3.44Å; P290-Y415 WeakPolarHBondContact CB-OH 3.03Å; P290-Y415 PolarHBondContact O-OH 3.37Å; P290-V419 HydrophobicContact CB-CG1 4.47Å; P290-Y420 HydrophobicContact CB-CD1 3.85Å; P290-Y420 HydrophobicContact CB-CD2 4.08Å; P290-Y420 HydrophobicContact CB-CE1 4.35Å; P290-Y420 HydrophobicContact CB-CG 3.69Å; P290-Y420 HydrophobicContact CG-CD1 4.26Å; P290-Y420 HydrophobicContact CG-CD2 3.55Å; P290-Y420 HydrophobicContact CG-CE2 4.02Å; P290-Y420 HydrophobicContact CG-CG 3.68Å
291	V	98.5	Very high	96.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-138.6	148.6	-178.2	63.3	0	0	0	0	109.8	G259 F261 F267 T289 F322 S325	G259-V291 VanDerWaalsContact C-CG1 3.46Å; G259-V291 WeakPolarHBondContact CA-O 3.07Å; F261-V291 HydrophobicContact CD1-CB 4.3Å; F261-V291 HydrophobicContact CD1-CG1 4Å; F267-V291 HydrophobicContact CD2-CG1 3.92Å; F267-V291 HydrophobicContact CD2-CG2 4.47Å; F267-V291 HydrophobicContact CE2-CG1 3.99Å; T289-V291 VanDerWaalsContact C-N 3.28Å; T289-V291 PolarHBondContact O-N 3.19Å; T289-V291 PolarHBondContact OG1-O 3.48Å; V291-F322 HydrophobicContact CG2-CD1 3.61Å; V291-F322 HydrophobicContact CG2-CE1 3.88Å; V291-S325 WeakPolarHBondContact CA-OG 3.12Å; V291-S325 WeakPolarHBondContact CG2-OG 3.31Å
292	I	97.9	Very high	96.7	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.155	C	C	.	.			trans	-94.6	156.8	169.3	58	168.9	0	0	0	111.1	T289 G294 F297 N321 L324 S325 L335	T289-I292 HydrophobicContact CG2-CG2 3.91Å; I292-G294 PolarHBondContact O-N 3.23Å; I292-F297 HydrophobicContact CD1-CB 4.25Å; I292-F297 HydrophobicContact CD1-CD1 4.08Å; I292-F297 HydrophobicContact CD1-CG 4.12Å; I292-N321 PolarHBondContact O-ND2 3.42Å; I292-L324 HydrophobicContact CD1-CD2 4.43Å; I292-S325 PolarHBondContact N-OG 3.23Å; I292-S325 VanDerWaalsContact N-OG 3.16Å; I292-L335 HydrophobicContact CG2-CB 4.26Å; I292-L335 HydrophobicContact CG2-CD1 4.25Å; I292-L335 HydrophobicContact CG2-CD2 4.37Å
293	A	95.5	Very high	96.9	Very high	34 Å²	34	28.2 Å²	28.2	28%	0.281	15%	0.145	S	C	.	.			trans	-62.3	-28.2	171.4	0	0	0	0	0	111.9	I240 F267 W269 G295	I240-A293 HydrophobicContact CD1-CB 3.94Å; F267-A293 HydrophobicContact CE1-CB 4.32Å; F267-A293 HydrophobicContact CE2-CB 4.31Å; F267-A293 HydrophobicContact CZ-CB 3.93Å; W269-A293 HydrophobicContact CH2-CB 4.46Å; W269-A293 HydrophobicContact CZ2-CB 4.24Å; A293-G295 PolarHBondContact O-N 3.19Å
294	G	92.3	Very high	97.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	93	-25.5	175.3	0	0	0	0	0	114.4	R195 I292 I296 F297	R195-G294 PolarHBondContact NH1-O 2.89Å; R195-G294 PolarHBondContact NH2-O 2.89Å; I292-G294 PolarHBondContact O-N 3.23Å; G294-I296 PolarHBondContact O-N 3.35Å; G294-F297 WeakPolarHBondContact O-CE1 3.3Å
295	G	93.6	Very high	97.4	Very high	11 Å²	11	28.3 Å²	28.3	11%	0.113	14%	0.142	C	C	.	.	S	Bend	trans	-63.3	-38.5	179.8	0	0	0	0	0	114.8	R195 D211 A293	R195-G295 PolarHBondContact NH2-O 3.27Å; D211-G295 PolarHBondContact N-O 3Å; D211-G295 WeakPolarHBondContact OD2-CA 3.35Å; A293-G295 PolarHBondContact O-N 3.19Å
296	I	98.5	Very high	97.5	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	14%	0.138	C	C	.	.	S	Bend	trans	-138.2	113.7	-168.3	-52	161.8	0	0	0	110.2	F209 L210 S237 P238 I240 G294 V343 H345	F209-I296 WeakPolarHBondContact O-CA 3.32Å; L210-I296 HydrophobicContact CD2-CB 4.41Å; L210-I296 HydrophobicContact CD2-CG1 4.17Å; L210-I296 HydrophobicContact CD2-CG2 3.54Å; S237-I296 WeakPolarHBondContact CB-O 3.47Å; S237-I296 PolarHBondContact OG-O 2.62Å; P238-I296 HydrophobicContact CG-CB 4.23Å; P238-I296 HydrophobicContact CG-CG2 3.54Å; I240-I296 HydrophobicContact CD1-CD1 4.15Å; I240-I296 HydrophobicContact CG1-CD1 4.12Å; I240-I296 HydrophobicContact CG2-CD1 4.1Å; G294-I296 PolarHBondContact O-N 3.35Å; I296-V343 HydrophobicContact CD1-CB 4.23Å; I296-V343 HydrophobicContact CD1-CG1 3.8Å; I296-V343 HydrophobicContact CG2-CG2 4.45Å; I296-H345 HydrophobicContact CD1-CB 4.36Å
297	F	98.9	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	163	176.6	67.1	-82.6	0	0	0	112.9	F209 V235 V236 I292 G294 I299 Y310 L324	F209-F297 HydrophobicContact CB-CD1 4.09Å; F209-F297 HydrophobicContact CB-CE1 3.84Å; F209-F297 HydrophobicContact CB-CZ 4.25Å; F209-F297 HydrophobicContact CD2-CD1 4.32Å; F209-F297 HydrophobicContact CD2-CD2 4.01Å; F209-F297 AromaticContact CD2-CE1 3.71Å; F209-F297 HydrophobicContact CD2-CE1 3.71Å; F209-F297 AromaticContact CD2-CE2 3.38Å; F209-F297 HydrophobicContact CD2-CE2 3.38Å; F209-F297 HydrophobicContact CD2-CG 4.45Å; F209-F297 AromaticContact CD2-CZ 3.21Å; F209-F297 HydrophobicContact CD2-CZ 3.21Å; F209-F297 AromaticContact CE2-CE2 3.72Å; F209-F297 HydrophobicContact CE2-CE2 3.72Å; F209-F297 AromaticContact CE2-CZ 3.64Å; F209-F297 HydrophobicContact CE2-CZ 3.64Å; F209-F297 AromaticContact CG-CE1 3.92Å; F209-F297 HydrophobicContact CG-CE1 3.92Å; F209-F297 HydrophobicContact CG-CE2 4.38Å; F209-F297 AromaticContact CG-CZ 3.84Å; F209-F297 HydrophobicContact CG-CZ 3.84Å; F209-F297 PolarHBondContact N-O 3.32Å; F209-F297 PolarHBondContact O-N 3.32Å; V235-F297 HydrophobicContact CG1-CB 4.21Å; V235-F297 HydrophobicContact CG1-CD2 3.54Å; V235-F297 HydrophobicContact CG1-CE2 4.25Å; V235-F297 HydrophobicContact CG1-CG 4.18Å; V236-F297 CarbonylContact O-C 3.48Å; V236-F297 WeakPolarHBondContact O-CA 3.42Å; V236-F297 WeakPolarHBondContact O-CB 3.47Å; I292-F297 HydrophobicContact CD1-CB 4.25Å; I292-F297 HydrophobicContact CD1-CD1 4.08Å; I292-F297 HydrophobicContact CD1-CG 4.12Å; G294-F297 WeakPolarHBondContact O-CE1 3.3Å; F297-I299 HydrophobicContact CD2-CB 4.26Å; F297-I299 HydrophobicContact CD2-CG2 4.21Å; F297-I299 HydrophobicContact CE2-CB 4.22Å; F297-I299 HydrophobicContact CE2-CG2 3.79Å; F297-Y310 WeakPolarHBondContact CE1-OH 3.22Å; F297-Y310 WeakPolarHBondContact CZ-OH 3.33Å; F297-L324 HydrophobicContact CE1-CD2 4.48Å; F297-L324 HydrophobicContact CE2-CD2 4.08Å; F297-L324 HydrophobicContact CZ-CD2 3.87Å
298	V	98.9	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137	174.4	-173.4	0	0	0	0	109.4	V206 L207 T208 L221 M224 L225 V228 V236	V206-V298 HydrophobicContact CG1-CG1 3.33Å; L207-V298 VanDerWaalsContact O-CA 3.31Å; L207-V298 WeakPolarHBondContact O-CA 3.4Å; L207-V298 WeakPolarHBondContact O-CG1 3.37Å; T208-V298 HydrophobicContact CG2-CG2 3.93Å; L221-V298 HydrophobicContact CD1-CG2 4.28Å; M224-V298 HydrophobicContact CB-CB 4.32Å; M224-V298 HydrophobicContact CB-CG2 3.86Å; M224-V298 HydrophobicContact CE-CG2 3.61Å; M224-V298 HydrophobicContact CG-CG2 4.45Å; M224-V298 HydrophobicContact SD-CG2 3.79Å; L225-V298 HydrophobicContact CD2-CG1 4.11Å; V228-V298 HydrophobicContact CG2-CB 4.48Å; V228-V298 HydrophobicContact CG2-CG1 4.05Å; V236-V298 HydrophobicContact CG2-CB 3.84Å; V236-V298 PolarHBondContact N-O 3.05Å; V236-V298 PolarHBondContact O-N 3.21Å
299	I	98.9	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146.6	-179.9	-170.8	169.5	0	0	0	110.4	L207 F209 V235 F297 F304	L207-I299 HydrophobicContact CB-CG2 4.03Å; L207-I299 HydrophobicContact CD1-CG2 4.43Å; L207-I299 PolarHBondContact N-O 3.43Å; L207-I299 PolarHBondContact O-N 3.35Å; F209-I299 HydrophobicContact CE2-CG2 4.04Å; V235-I299 HydrophobicContact CG1-CB 4.37Å; V235-I299 HydrophobicContact CG2-CB 4.38Å; V235-I299 HydrophobicContact CG2-CD1 3.52Å; V235-I299 HydrophobicContact CG2-CG1 3.84Å; F297-I299 HydrophobicContact CD2-CB 4.26Å; F297-I299 HydrophobicContact CD2-CG2 4.21Å; F297-I299 HydrophobicContact CE2-CB 4.22Å; F297-I299 HydrophobicContact CE2-CG2 3.79Å; I299-F304 HydrophobicContact CD1-CB 3.98Å; I299-F304 HydrophobicContact CD1-CD2 4.14Å; I299-F304 HydrophobicContact CG1-CB 4.35Å; I299-F304 HydrophobicContact CG2-CB 4.14Å; I299-F304 HydrophobicContact CG2-CD2 4.38Å; I299-F304 HydrophobicContact CG2-CG 4.48Å
300	D	98.9	Very high	97.7	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.123	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	134.2	168.1	178.2	-89.6	0	0	0	111	V228 H232 S302 W303 F304	V228-D300 HydrophobicContact CG1-CB 3.91Å; H232-D300 HydrophobicContact CB-CB 3.95Å; H232-D300 WeakPolarHBondContact O-CB 3.39Å; D300-S302 PolarHBondContact O-N 2.64Å; D300-S302 VanDerWaalsContact OD1-CA 3.3Å; D300-S302 WeakPolarHBondContact OD1-CA 3.43Å; D300-S302 VanDerWaalsContact OD1-CB 3.24Å; D300-S302 WeakPolarHBondContact OD1-CB 3.28Å; D300-S302 PolarHBondContact OD1-N 2.85Å; D300-S302 PolarHBondContact OD1-OG 2.87Å; D300-W303 HydrophobicContact CB-CB 3.98Å; D300-W303 PolarHBondContact O-N 2.7Å; D300-W303 PolarHBondContact OD1-N 2.72Å; D300-F304 PolarHBondContact O-N 3.48Å
301	K	98.8	Very high	97.6	Very high	44 Å²	44	22.3 Å²	22.3	19%	0.191	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-40.3	-177	-176.3	177.6	-179.6	-178.4	0	111.8	A199 A202 A204 T205 L207 W303 F304 N305	A199-K301 WeakPolarHBondContact O-CE 3.23Å; A199-K301 PolarHBondContact O-NZ 3.05Å; A202-K301 PolarHBondContact O-NZ 3.44Å; A204-K301 WeakPolarHBondContact O-CD 3.18Å; T205-K301 WeakPolarHBondContact O-CB 3.44Å; T205-K301 PolarHBondContact O-N 3.01Å; L207-K301 HydrophobicContact CD1-CB 4.25Å; L207-K301 HydrophobicContact CD1-CG 4.16Å; L207-K301 HydrophobicContact CD2-CB 4.14Å; L207-K301 HydrophobicContact CD2-CD 4.18Å; L207-K301 HydrophobicContact CD2-CG 4.1Å; L207-K301 HydrophobicContact CG-CB 3.89Å; L207-K301 HydrophobicContact CG-CG 4.17Å; K301-W303 VanDerWaalsContact C-N 3.3Å; K301-F304 PolarHBondContact O-N 3.05Å; K301-N305 WeakPolarHBondContact O-CB 3.38Å; K301-N305 VanDerWaalsContact O-CG 3.3Å; K301-N305 PolarHBondContact O-N 3.09Å; K301-N305 PolarHBondContact O-ND2 2.94Å
302	S	98.7	Very high	97.4	Very high	74 Å²	74	24.8 Å²	24.8	52%	0.517	15%	0.147	S	C	.	.	H	α-helix	trans	-66.2	-38.1	178.8	82	0	0	0	0	110.7	D300 N305 H306	D300-S302 PolarHBondContact O-N 2.64Å; D300-S302 VanDerWaalsContact OD1-CA 3.3Å; D300-S302 WeakPolarHBondContact OD1-CA 3.43Å; D300-S302 VanDerWaalsContact OD1-CB 3.24Å; D300-S302 WeakPolarHBondContact OD1-CB 3.28Å; D300-S302 PolarHBondContact OD1-N 2.85Å; D300-S302 PolarHBondContact OD1-OG 2.87Å; S302-N305 PolarHBondContact O-N 2.98Å; S302-H306 VanDerWaalsContact O-CB 3.31Å; S302-H306 WeakPolarHBondContact O-CB 3.49Å; S302-H306 PolarHBondContact O-N 3.02Å
303	W	98.7	Very high	97.4	Very high	17 Å²	17	28 Å²	28	6%	0.064	16%	0.161	C	C	.	.	H	α-helix	trans	-67.5	-44.6	174.5	-173.5	-130.1	0	0	0	112.5	H232 T233 D300 K301 N305 H306 L307	H232-W303 WeakPolarHBondContact O-CB 3.45Å; T233-W303 HydrophobicContact CG2-CD2 4.37Å; T233-W303 HydrophobicContact CG2-CE3 4.39Å; T233-W303 HydrophobicContact CG2-CH2 4.44Å; T233-W303 HydrophobicContact CG2-CZ2 4.38Å; T233-W303 HydrophobicContact CG2-CZ3 4.42Å; T233-W303 PolarHBondContact O-NE1 2.93Å; D300-W303 HydrophobicContact CB-CB 3.98Å; D300-W303 PolarHBondContact O-N 2.7Å; D300-W303 PolarHBondContact OD1-N 2.72Å; K301-W303 VanDerWaalsContact C-N 3.3Å; W303-N305 VanDerWaalsContact C-N 3.26Å; W303-N305 PolarHBondContact O-N 3.11Å; W303-H306 HydrophobicContact CE3-CB 4.08Å; W303-H306 AromaticContact CE3-CD2 3.69Å; W303-H306 HydrophobicContact CZ3-CB 4.47Å; W303-H306 AromaticContact CZ3-CD2 3.2Å; W303-H306 WeakPolarHBondContact CZ3-CD2 2.98Å; W303-H306 AromaticContact CZ3-CG 3.99Å; W303-H306 AromaticContact CZ3-NE2 3.84Å; W303-H306 PolarHBondContact O-N 3.39Å; W303-L307 HydrophobicContact CD2-CD1 4.23Å; W303-L307 HydrophobicContact CD2-CG 4.02Å; W303-L307 HydrophobicContact CE3-CG 4.46Å; W303-L307 HydrophobicContact CG-CD1 4.37Å; W303-L307 HydrophobicContact CH2-CD2 3.83Å; W303-L307 HydrophobicContact CH2-CG 4.36Å; W303-L307 HydrophobicContact CZ2-CD1 4.09Å; W303-L307 HydrophobicContact CZ2-CD2 3.57Å; W303-L307 HydrophobicContact CZ2-CG 3.92Å; W303-L307 HydrophobicContact CZ3-CD2 4.42Å; W303-L307 WeakPolarHBondContact O-CB 3.45Å; W303-L307 WeakPolarHBondContact O-CG 3.39Å; W303-L307 PolarHBondContact O-N 2.91Å
304	F	98.7	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-42.1	173.9	-176.3	-110.8	0	0	0	111.7	A199 L207 F209 I299 D300 K301 G308 K309 Y310	A199-F304 HydrophobicContact CB-CD1 4.02Å; A199-F304 HydrophobicContact CB-CE1 3.61Å; L207-F304 HydrophobicContact CD1-CB 4.14Å; L207-F304 HydrophobicContact CD1-CD1 3.81Å; L207-F304 HydrophobicContact CD1-CE1 4.48Å; L207-F304 HydrophobicContact CD1-CG 4.09Å; F209-F304 HydrophobicContact CZ-CZ 4.37Å; I299-F304 HydrophobicContact CD1-CB 3.98Å; I299-F304 HydrophobicContact CD1-CD2 4.14Å; I299-F304 HydrophobicContact CG1-CB 4.35Å; I299-F304 HydrophobicContact CG2-CB 4.14Å; I299-F304 HydrophobicContact CG2-CD2 4.38Å; I299-F304 HydrophobicContact CG2-CG 4.48Å; D300-F304 PolarHBondContact O-N 3.48Å; K301-F304 PolarHBondContact O-N 3.05Å; F304-G308 PolarHBondContact O-N 2.98Å; F304-K309 HydrophobicContact CD1-CB 4.18Å; F304-K309 HydrophobicContact CD1-CG 3.95Å; F304-K309 HydrophobicContact CE1-CB 3.56Å; F304-K309 HydrophobicContact CE1-CD 4.32Å; F304-K309 HydrophobicContact CE1-CG 3.71Å; F304-K309 HydrophobicContact CE2-CB 4.47Å; F304-K309 HydrophobicContact CZ-CB 3.74Å; F304-K309 HydrophobicContact CZ-CG 4.39Å; F304-K309 WeakPolarHBondContact O-CA 3.05Å; F304-K309 PolarHBondContact O-N 3.31Å; F304-Y310 HydrophobicContact CE2-CD2 4.14Å; F304-Y310 HydrophobicContact CE2-CE2 4.21Å; F304-Y310 AromaticContact CZ-CD2 3.94Å; F304-Y310 HydrophobicContact CZ-CD2 3.94Å; F304-Y310 HydrophobicContact CZ-CE2 4.3Å
305	N	98.3	Very high	97.4	Very high	65 Å²	65	28.2 Å²	28.2	35%	0.348	16%	0.158	S	C	.	.	H	α-helix	trans	-68.5	-44.2	175.9	-73.6	-29.8	0	0	0	112.6	K301 S302 W303 L307 G308 K309	K301-N305 WeakPolarHBondContact O-CB 3.38Å; K301-N305 VanDerWaalsContact O-CG 3.3Å; K301-N305 PolarHBondContact O-N 3.09Å; K301-N305 PolarHBondContact O-ND2 2.94Å; S302-N305 PolarHBondContact O-N 2.98Å; W303-N305 VanDerWaalsContact C-N 3.26Å; W303-N305 PolarHBondContact O-N 3.11Å; N305-L307 VanDerWaalsContact C-N 3.33Å; N305-L307 PolarHBondContact O-N 3.23Å; N305-G308 WeakPolarHBondContact O-CA 3.18Å; N305-G308 PolarHBondContact O-N 2.96Å; N305-K309 WeakPolarHBondContact OD1-CE 3.23Å
306	H	97.9	Very high	97.4	Very high	112 Å²	112	28.1 Å²	28.1	52%	0.519	16%	0.155	S	C	.	.	H	α-helix	trans	-59.2	-44.7	177.6	178.3	85.5	0	0	0	111.6	S302 W303 G308	S302-H306 VanDerWaalsContact O-CB 3.31Å; S302-H306 WeakPolarHBondContact O-CB 3.49Å; S302-H306 PolarHBondContact O-N 3.02Å; W303-H306 HydrophobicContact CE3-CB 4.08Å; W303-H306 AromaticContact CE3-CD2 3.69Å; W303-H306 HydrophobicContact CZ3-CB 4.47Å; W303-H306 AromaticContact CZ3-CD2 3.2Å; W303-H306 WeakPolarHBondContact CZ3-CD2 2.98Å; W303-H306 AromaticContact CZ3-CG 3.99Å; W303-H306 AromaticContact CZ3-NE2 3.84Å; W303-H306 PolarHBondContact O-N 3.39Å; H306-G308 PolarHBondContact O-N 2.02Å; H306-G308 VanDerWaalsContact O-N 3.14Å
307	L	97.8	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.2	174.6	-70.8	179.3	0	0	0	112.2	W303 N305 R327 V328 C331 Q403	W303-L307 HydrophobicContact CD2-CD1 4.23Å; W303-L307 HydrophobicContact CD2-CG 4.02Å; W303-L307 HydrophobicContact CE3-CG 4.46Å; W303-L307 HydrophobicContact CG-CD1 4.37Å; W303-L307 HydrophobicContact CH2-CD2 3.83Å; W303-L307 HydrophobicContact CH2-CG 4.36Å; W303-L307 HydrophobicContact CZ2-CD1 4.09Å; W303-L307 HydrophobicContact CZ2-CD2 3.57Å; W303-L307 HydrophobicContact CZ2-CG 3.92Å; W303-L307 HydrophobicContact CZ3-CD2 4.42Å; W303-L307 WeakPolarHBondContact O-CB 3.45Å; W303-L307 WeakPolarHBondContact O-CG 3.39Å; W303-L307 PolarHBondContact O-N 2.91Å; N305-L307 VanDerWaalsContact C-N 3.33Å; N305-L307 PolarHBondContact O-N 3.23Å; L307-R327 HydrophobicContact CD2-CG 4.11Å; L307-R327 VanDerWaalsContact O-CD 3.32Å; L307-R327 WeakPolarHBondContact O-CD 3.13Å; L307-R327 PolarHBondContact O-NH1 2.82Å; L307-V328 HydrophobicContact CD1-CG2 3.59Å; L307-C331 HydrophobicContact CD2-CB 4.16Å; L307-Q403 PolarHBondContact O-NE2 3.13Å
308	G	96.9	Very high	96.9	Very high	16 Å²	16	32 Å²	32	17%	0.165	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	33.4	-178.6	0	0	0	0	0	114.1	F304 N305 H306 R400 Q403	F304-G308 PolarHBondContact O-N 2.98Å; N305-G308 WeakPolarHBondContact O-CA 3.18Å; N305-G308 PolarHBondContact O-N 2.96Å; H306-G308 PolarHBondContact O-N 2.02Å; H306-G308 VanDerWaalsContact O-N 3.14Å; G308-R400 PolarHBondContact O-NH1 2.96Å; G308-Q403 VanDerWaalsContact CA-NE2 3.25Å
309	K	97.4	Very high	96.7	Very high	55 Å²	55	32 Å²	32	24%	0.239	17%	0.17	C	C	.	.	S	Bend	trans	57.7	-128.5	172.6	-52.1	-177.5	-170	167.6	0	112.5	V196 D200 F304 N305 R327	V196-K309 HydrophobicContact CG1-CB 4.49Å; V196-K309 HydrophobicContact CG1-CD 3.77Å; V196-K309 HydrophobicContact CG2-CB 4.04Å; D200-K309 WeakPolarHBondContact OD1-CE 3.42Å; D200-K309 IonicContact OD1-NZ 3.3Å; D200-K309 PolarHBondContact OD1-NZ 3.32Å; D200-K309 IonicContact OD2-NZ 2.98Å; D200-K309 PolarHBondContact OD2-NZ 2.97Å; D200-K309 VanDerWaalsContact OD2-NZ 3.1Å; F304-K309 HydrophobicContact CD1-CB 4.18Å; F304-K309 HydrophobicContact CD1-CG 3.95Å; F304-K309 HydrophobicContact CE1-CB 3.56Å; F304-K309 HydrophobicContact CE1-CD 4.32Å; F304-K309 HydrophobicContact CE1-CG 3.71Å; F304-K309 HydrophobicContact CE2-CB 4.47Å; F304-K309 HydrophobicContact CZ-CB 3.74Å; F304-K309 HydrophobicContact CZ-CG 4.39Å; F304-K309 WeakPolarHBondContact O-CA 3.05Å; F304-K309 PolarHBondContact O-N 3.31Å; N305-K309 WeakPolarHBondContact OD1-CE 3.23Å; K309-R327 PolarHBondContact O-NH1 2.93Å; K309-R327 PolarHBondContact O-NH2 3.23Å
310	Y	97.7	Very high	96.6	Very high	6 Å²	6	32.4 Å²	32.4	2%	0.024	17%	0.171	C	C	.	.	S	Bend	trans	-105.7	164.1	164.1	-78.9	-71.5	0	0	0	111.1	I192 R195 V196 F297 F304 A312 E320 L324	I192-Y310 VanDerWaalsContact CG2-CB 3.47Å; I192-Y310 HydrophobicContact CG2-CG 4.04Å; R195-Y310 HydrophobicContact CB-CD2 4.4Å; R195-Y310 HydrophobicContact CB-CE2 4.22Å; R195-Y310 PolarHBondContact NH1-OH 2.95Å; V196-Y310 HydrophobicContact CG2-CD2 4.23Å; F297-Y310 WeakPolarHBondContact CE1-OH 3.22Å; F297-Y310 WeakPolarHBondContact CZ-OH 3.33Å; F304-Y310 HydrophobicContact CE2-CD2 4.14Å; F304-Y310 HydrophobicContact CE2-CE2 4.21Å; F304-Y310 AromaticContact CZ-CD2 3.94Å; F304-Y310 HydrophobicContact CZ-CD2 3.94Å; F304-Y310 HydrophobicContact CZ-CE2 4.3Å; Y310-A312 PolarHBondContact O-N 3.49Å; Y310-A312 VanDerWaalsContact O-N 3.1Å; Y310-E320 HydrophobicContact CD1-CB 3.97Å; Y310-E320 HydrophobicContact CD1-CG 4.37Å; Y310-E320 HydrophobicContact CE1-CB 3.83Å; Y310-E320 HydrophobicContact CE1-CG 3.81Å; Y310-L324 HydrophobicContact CD1-CB 4.46Å; Y310-L324 HydrophobicContact CE1-CB 3.85Å; Y310-L324 HydrophobicContact CE1-CD2 3.9Å; Y310-L324 HydrophobicContact CE1-CG 4.4Å
311	D	97.4	Very high	96.5	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.027	17%	0.169	C	C	.	.			trans	-68.6	100.6	166.3	-176.4	0.6	0	0	0	110.9	Q313 M314 R369 R400	D311-Q313 PolarHBondContact O-N 2.84Å; D311-Q313 VanDerWaalsContact O-N 3.08Å; D311-Q313 PolarHBondContact OD1-N 2.9Å; D311-Q313 VanDerWaalsContact OD1-N 3.12Å; D311-M314 HydrophobicContact CB-CE 4.32Å; D311-M314 HydrophobicContact CB-CG 4.07Å; D311-M314 HydrophobicContact CB-SD 4.31Å; D311-M314 WeakPolarHBondContact O-CB 3.34Å; D311-M314 PolarHBondContact O-N 3.23Å; D311-R369 VanDerWaalsContact CG-NH2 3.34Å; D311-R369 IonicContact OD1-CZ 3.92Å; D311-R369 IonicContact OD1-NE 3.2Å; D311-R369 IonicContact OD1-NH2 3.46Å; D311-R369 PolarHBondContact OD1-NH2 3.42Å; D311-R369 IonicContact OD2-CZ 3.41Å; D311-R369 IonicContact OD2-NE 2.82Å; D311-R369 PolarHBondContact OD2-NE 3.48Å; D311-R369 IonicContact OD2-NH2 2.63Å; D311-R369 PolarHBondContact OD2-NH2 2.71Å; D311-R400 HydrophobicContact CB-CG 4.49Å
312	A	94.9	Very high	96.5	Very high	53 Å²	53	29.8 Å²	29.8	44%	0.438	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.9	-177.1	0	0	0	0	0	114.5	R193 Y310 M314	R193-A312 WeakPolarHBondContact CD-O 3.32Å; R193-A312 HydrophobicContact CG-CB 4.37Å; R193-A312 PolarHBondContact NH1-O 3.08Å; Y310-A312 PolarHBondContact O-N 3.49Å; Y310-A312 VanDerWaalsContact O-N 3.1Å; A312-M314 VanDerWaalsContact C-N 3.33Å
313	Q	96.1	Very high	96.5	Very high	71 Å²	71	26.4 Å²	26.4	33%	0.332	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.8	174.5	-68.7	-172.6	38.5	0	0	113.6	D311 R365 S396	D311-Q313 PolarHBondContact O-N 2.84Å; D311-Q313 VanDerWaalsContact O-N 3.08Å; D311-Q313 PolarHBondContact OD1-N 2.9Å; D311-Q313 VanDerWaalsContact OD1-N 3.12Å; Q313-R365 PolarHBondContact O-NH2 3.47Å; Q313-S396 PolarHBondContact OE1-O 3.16Å; Q313-S396 VanDerWaalsContact OE1-O 3.06Å
314	M	96.2	Very high	96.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-75	143.7	165.4	-68.6	-174.9	171	0	0	110.8	I192 R193 D311 A312 E320 E323 N366 R369 T370	I192-M314 HydrophobicContact CD1-CB 3.91Å; I192-M314 HydrophobicContact CG1-CB 4.26Å; I192-M314 HydrophobicContact CG2-CB 4.39Å; R193-M314 PolarHBondContact NH1-O 3.12Å; D311-M314 HydrophobicContact CB-CE 4.32Å; D311-M314 HydrophobicContact CB-CG 4.07Å; D311-M314 HydrophobicContact CB-SD 4.31Å; D311-M314 WeakPolarHBondContact O-CB 3.34Å; D311-M314 PolarHBondContact O-N 3.23Å; A312-M314 VanDerWaalsContact C-N 3.33Å; M314-E320 HydrophobicContact SD-CB 3.97Å; M314-E323 HydrophobicContact CE-CB 3.69Å; M314-E323 HydrophobicContact CE-CG 3.7Å; M314-N366 VanDerWaalsContact CA-OD1 3.25Å; M314-N366 WeakPolarHBondContact CA-OD1 3.46Å; M314-N366 HydrophobicContact CB-CB 4.41Å; M314-N366 WeakPolarHBondContact CB-OD1 3.36Å; M314-N366 HydrophobicContact CG-CB 4.15Å; M314-N366 HydrophobicContact SD-CB 4.31Å; M314-R369 HydrophobicContact CE-CB 4.25Å; M314-T370 WeakPolarHBondContact CE-OG1 3.35Å
315	D	93.3	Very high	96.5	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.203	13%	0.133	C	C	.	.			trans	-111.8	139.7	-172.8	-66.1	-50	0	0	0	112.7	R193 W317 T362 R365 N366	R193-D315 IonicContact CZ-OD1 3.69Å; R193-D315 IonicContact NH1-OD1 3.1Å; R193-D315 PolarHBondContact NH1-OD1 3.17Å; R193-D315 IonicContact NH2-OD1 2.59Å; R193-D315 PolarHBondContact NH2-OD1 3.31Å; R193-D315 VanDerWaalsContact NH2-OD1 3.08Å; D315-W317 VanDerWaalsContact C-N 3.32Å; D315-W317 PolarHBondContact O-N 3.22Å; D315-T362 HydrophobicContact CB-CG2 4.05Å; D315-T362 WeakPolarHBondContact O-CG2 3.29Å; D315-R365 WeakPolarHBondContact OD2-CD 3.49Å; D315-R365 IonicContact OD2-CZ 3.79Å; D315-R365 IonicContact OD2-NE 3.76Å; D315-R365 PolarHBondContact OD2-NE 3.4Å; D315-R365 IonicContact OD2-NH2 3.06Å; D315-N366 PolarHBondContact N-OD1 3.27Å; D315-N366 PolarHBondContact O-ND2 3.29Å
316	I	91.9	Very high	96.5	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.051	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	54.7	-78.3	171.5	-50.3	-58	0	0	0	114.9	R188 L191 Y353 F355 T362	R188-I316 HydrophobicContact CG-CD1 4.07Å; L191-I316 PolarHBondContact N-O 3.1Å; I316-Y353 HydrophobicContact CG2-CD2 4.29Å; I316-Y353 HydrophobicContact CG2-CE2 4.2Å; I316-F355 HydrophobicContact CB-CD1 4.19Å; I316-F355 HydrophobicContact CB-CE1 4.29Å; I316-F355 HydrophobicContact CG2-CD1 3.92Å; I316-F355 HydrophobicContact CG2-CE1 3.81Å; I316-F355 HydrophobicContact CG2-CZ 4.49Å; I316-T362 HydrophobicContact CB-CG2 4.17Å
317	W	93.9	Very high	96.6	Very high	83 Å²	83	17.2 Å²	17.2	31%	0.314	9%	0.092	S	C	.	.	S	Bend	trans	-156.3	146.9	-171.2	179	94.6	0	0	0	112.5	L191 D315 H351 Y353 F355 Y363 N366	L191-W317 HydrophobicContact CD2-CB 3.83Å; L191-W317 HydrophobicContact CD2-CG 3.8Å; D315-W317 VanDerWaalsContact C-N 3.32Å; D315-W317 PolarHBondContact O-N 3.22Å; W317-H351 AromaticContact CD2-CE1 3.74Å; W317-H351 AromaticContact CE2-CE1 3.75Å; W317-H351 AromaticContact CE3-CE1 3.65Å; W317-H351 AromaticContact CH2-CE1 3.65Å; W317-H351 AromaticContact CH2-NE2 3.94Å; W317-H351 AromaticContact CZ2-CE1 3.74Å; W317-H351 AromaticContact CZ3-CE1 3.6Å; W317-H351 AromaticContact CZ3-NE2 3.7Å; W317-Y353 HydrophobicContact CB-CE2 4.41Å; W317-F355 HydrophobicContact CB-CE1 4.26Å; W317-Y363 HydrophobicContact CE3-CD2 4.3Å; W317-Y363 HydrophobicContact CH2-CE2 4.34Å; W317-Y363 AromaticContact CZ3-CD2 3.76Å; W317-Y363 HydrophobicContact CZ3-CD2 3.76Å; W317-Y363 AromaticContact CZ3-CE2 3.95Å; W317-Y363 HydrophobicContact CZ3-CE2 3.95Å; W317-N366 PolarHBondContact O-ND2 2.82Å
318	G	93.1	Very high	96.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	9%	0.092	C	C	.	.	S	Bend	trans	94.3	143.2	166.7	0	0	0	0	0	112.9	E320 N366	G318-E320 VanDerWaalsContact C-N 3.3Å; G318-E320 WeakPolarHBondContact CA-OE2 3.37Å; G318-E320 PolarHBondContact N-OE2 2.84Å; G318-E320 PolarHBondContact O-N 3.24Å; G318-N366 WeakPolarHBondContact O-CB 3.39Å; G318-N366 PolarHBondContact O-ND2 2.74Å
319	G	94.9	Very high	96.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	92.4	-26.2	179.1	0	0	0	0	0	114.2	N321 F322 E323 T370	G319-N321 VanDerWaalsContact C-N 3.31Å; G319-N321 PolarHBondContact O-N 2.63Å; G319-F322 PolarHBondContact O-N 2.76Å; G319-E323 PolarHBondContact O-N 2.82Å; G319-E323 VanDerWaalsContact O-N 3.11Å; G319-T370 PolarHBondContact O-OG1 2.72Å
320	E	97.1	Very high	96.8	Very high	7 Å²	7	14.3 Å²	14.3	3%	0.033	7%	0.074	C	C	.	.	H	α-helix	trans	-69.2	-30.2	-175.8	82.6	-64.8	158.8	0	0	112.7	L191 I192 Y310 M314 G318 E323 L324	L191-E320 HydrophobicContact CD1-CG 4.22Å; I192-E320 HydrophobicContact CD1-CB 4.37Å; I192-E320 HydrophobicContact CG1-CB 3.69Å; I192-E320 HydrophobicContact CG1-CG 3.93Å; Y310-E320 HydrophobicContact CD1-CB 3.97Å; Y310-E320 HydrophobicContact CD1-CG 4.37Å; Y310-E320 HydrophobicContact CE1-CB 3.83Å; Y310-E320 HydrophobicContact CE1-CG 3.81Å; M314-E320 HydrophobicContact SD-CB 3.97Å; G318-E320 VanDerWaalsContact C-N 3.3Å; G318-E320 WeakPolarHBondContact CA-OE2 3.37Å; G318-E320 PolarHBondContact N-OE2 2.84Å; G318-E320 PolarHBondContact O-N 3.24Å; E320-E323 PolarHBondContact O-N 2.65Å; E320-L324 WeakPolarHBondContact O-CB 3.45Å; E320-L324 PolarHBondContact O-N 2.84Å
321	N	97.6	Very high	96.8	Very high	12 Å²	12	14.9 Å²	14.9	6%	0.064	8%	0.079	C	C	.	.	H	α-helix	trans	-65.2	-40.7	175.9	70.2	-54.1	0	0	0	111.3	I292 G319 S325	I292-N321 PolarHBondContact O-ND2 3.42Å; G319-N321 VanDerWaalsContact C-N 3.31Å; G319-N321 PolarHBondContact O-N 2.63Å; N321-S325 WeakPolarHBondContact O-CB 3.44Å; N321-S325 PolarHBondContact O-N 3.38Å; N321-S325 PolarHBondContact O-OG 2.97Å
322	F	98.5	Very high	96.8	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-68.6	-45.2	173.8	-58.2	-65.7	0	0	0	111.8	F261 L265 F267 V291 G319 L324 S325 F326 T370	F261-F322 HydrophobicContact CB-CD1 4.36Å; F261-F322 HydrophobicContact CB-CE1 3.6Å; F261-F322 HydrophobicContact CB-CZ 4.34Å; F261-F322 HydrophobicContact CD1-CD1 4.44Å; F261-F322 HydrophobicContact CD1-CE1 4.4Å; F261-F322 HydrophobicContact CG-CD1 4.32Å; F261-F322 HydrophobicContact CG-CE1 4.04Å; L265-F322 HydrophobicContact CB-CD2 4.28Å; L265-F322 HydrophobicContact CB-CE2 4.26Å; L265-F322 HydrophobicContact CD2-CD1 4.47Å; L265-F322 HydrophobicContact CD2-CG 4.39Å; L265-F322 WeakPolarHBondContact O-CE2 3.19Å; L265-F322 WeakPolarHBondContact O-CZ 3.37Å; F267-F322 HydrophobicContact CB-CE1 4.31Å; F267-F322 HydrophobicContact CB-CZ 3.81Å; V291-F322 HydrophobicContact CG2-CD1 3.61Å; V291-F322 HydrophobicContact CG2-CE1 3.88Å; G319-F322 PolarHBondContact O-N 2.76Å; F322-L324 PolarHBondContact O-N 2.93Å; F322-S325 PolarHBondContact O-N 3.14Å; F322-F326 HydrophobicContact CB-CE2 4.22Å; F322-F326 HydrophobicContact CB-CZ 4.27Å; F322-F326 WeakPolarHBondContact O-CB 3.49Å; F322-F326 VanDerWaalsContact O-CG 3.23Å; F322-F326 WeakPolarHBondContact O-CG 3.41Å; F322-F326 PolarHBondContact O-N 2.97Å; F322-T370 HydrophobicContact CB-CG2 3.93Å
323	E	98.5	Very high	97	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-59.5	-49.7	-178.9	-167.9	-77.4	145.1	0	0	111.6	M314 G319 E320 S325 R327 T370 W374	M314-E323 HydrophobicContact CE-CB 3.69Å; M314-E323 HydrophobicContact CE-CG 3.7Å; G319-E323 PolarHBondContact O-N 2.82Å; G319-E323 VanDerWaalsContact O-N 3.11Å; E320-E323 PolarHBondContact O-N 2.65Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 2.88Å; E323-R327 WeakPolarHBondContact O-CB 3.31Å; E323-R327 PolarHBondContact O-N 2.85Å; E323-R327 IonicContact OE1-CZ 3.63Å; E323-R327 IonicContact OE1-NE 2.65Å; E323-R327 PolarHBondContact OE1-NE 3.25Å; E323-R327 IonicContact OE1-NH2 2.7Å; E323-R327 PolarHBondContact OE1-NH2 3.31Å; E323-R327 IonicContact OE2-CZ 3.43Å; E323-R327 IonicContact OE2-NE 3.74Å; E323-R327 IonicContact OE2-NH2 2.68Å; E323-R327 PolarHBondContact OE2-NH2 2.9Å; E323-T370 HydrophobicContact CB-CG2 4.1Å; E323-W374 PolarHBondContact OE1-NE1 2.99Å; E323-W374 VanDerWaalsContact OE1-NE1 3.12Å
324	L	98.6	Very high	97.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.8	-41.8	176.1	-179	63.5	0	0	0	111.1	I292 F297 Y310 E320 F322 R327 V328	I292-L324 HydrophobicContact CD1-CD2 4.43Å; F297-L324 HydrophobicContact CE1-CD2 4.48Å; F297-L324 HydrophobicContact CE2-CD2 4.08Å; F297-L324 HydrophobicContact CZ-CD2 3.87Å; Y310-L324 HydrophobicContact CD1-CB 4.46Å; Y310-L324 HydrophobicContact CE1-CB 3.85Å; Y310-L324 HydrophobicContact CE1-CD2 3.9Å; Y310-L324 HydrophobicContact CE1-CG 4.4Å; E320-L324 WeakPolarHBondContact O-CB 3.45Å; E320-L324 PolarHBondContact O-N 2.84Å; F322-L324 PolarHBondContact O-N 2.93Å; L324-R327 PolarHBondContact O-N 2.82Å; L324-V328 HydrophobicContact CD1-CG2 3.93Å; L324-V328 HydrophobicContact CG-CG2 4.2Å; L324-V328 WeakPolarHBondContact O-CB 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.48Å; L324-V328 PolarHBondContact O-N 2.98Å
325	S	98.8	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.2	-48.4	-178.6	-64.1	0	0	0	0	112.5	V291 I292 N321 F322 E323 R327 V328 W329 L335	V291-S325 WeakPolarHBondContact CA-OG 3.12Å; V291-S325 WeakPolarHBondContact CG2-OG 3.31Å; I292-S325 PolarHBondContact N-OG 3.23Å; I292-S325 VanDerWaalsContact N-OG 3.16Å; N321-S325 WeakPolarHBondContact O-CB 3.44Å; N321-S325 PolarHBondContact O-N 3.38Å; N321-S325 PolarHBondContact O-OG 2.97Å; F322-S325 PolarHBondContact O-N 3.14Å; E323-S325 VanDerWaalsContact C-N 3.34Å; E323-S325 PolarHBondContact O-N 2.88Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-V328 PolarHBondContact O-N 3.25Å; S325-W329 VanDerWaalsContact O-CD1 3.31Å; S325-W329 PolarHBondContact O-N 3.37Å; S325-W329 VanDerWaalsContact O-N 3.13Å; S325-L335 VanDerWaalsContact CB-CD1 3.41Å; S325-L335 WeakPolarHBondContact OG-CD1 2.94Å
326	F	98.8	Very high	97.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62	-45.3	177	-64	-14	0	0	0	110.6	F261 L265 F322 W329 M330 T370 W374 M375 F412 Y415	F261-F326 HydrophobicContact CD1-CE1 4.47Å; F261-F326 AromaticContact CE1-CE1 3.57Å; F261-F326 HydrophobicContact CE1-CE1 3.57Å; F261-F326 AromaticContact CE1-CZ 3.92Å; F261-F326 HydrophobicContact CE1-CZ 3.92Å; F261-F326 HydrophobicContact CE2-CE1 4.33Å; F261-F326 AromaticContact CE2-CZ 3.86Å; F261-F326 HydrophobicContact CE2-CZ 3.86Å; F261-F326 AromaticContact CZ-CE1 3.49Å; F261-F326 HydrophobicContact CZ-CE1 3.49Å; F261-F326 VanDerWaalsContact CZ-CE1 3.49Å; F261-F326 AromaticContact CZ-CZ 3.47Å; F261-F326 HydrophobicContact CZ-CZ 3.47Å; F261-F326 VanDerWaalsContact CZ-CZ 3.47Å; L265-F326 HydrophobicContact CD2-CE2 4.08Å; L265-F326 HydrophobicContact CD2-CZ 3.95Å; F322-F326 HydrophobicContact CB-CE2 4.22Å; F322-F326 HydrophobicContact CB-CZ 4.27Å; F322-F326 WeakPolarHBondContact O-CB 3.49Å; F322-F326 VanDerWaalsContact O-CG 3.23Å; F322-F326 WeakPolarHBondContact O-CG 3.41Å; F322-F326 PolarHBondContact O-N 2.97Å; F326-W329 PolarHBondContact O-N 3.11Å; F326-M330 HydrophobicContact CB-SD 4Å; F326-M330 WeakPolarHBondContact O-CB 3.42Å; F326-M330 WeakPolarHBondContact O-CG 3.49Å; F326-M330 PolarHBondContact O-N 3.32Å; F326-T370 HydrophobicContact CD2-CG2 3.71Å; F326-T370 HydrophobicContact CE2-CG2 3.8Å; F326-W374 HydrophobicContact CB-CB 4Å; F326-W374 HydrophobicContact CB-CD2 4.31Å; F326-W374 HydrophobicContact CB-CE3 4.5Å; F326-W374 HydrophobicContact CB-CG 4.08Å; F326-W374 HydrophobicContact CD2-CB 3.79Å; F326-W374 HydrophobicContact CD2-CG 4.44Å; F326-W374 HydrophobicContact CG-CB 4.36Å; F326-M375 HydrophobicContact CE2-CG 4.11Å; F326-M375 HydrophobicContact CE2-SD 4.48Å; F326-F412 HydrophobicContact CD1-CE2 4.31Å; F326-F412 HydrophobicContact CD2-CE2 4.16Å; F326-F412 HydrophobicContact CE1-CE2 4.13Å; F326-F412 AromaticContact CE2-CE2 3.96Å; F326-F412 HydrophobicContact CE2-CE2 3.96Å; F326-F412 HydrophobicContact CG-CE2 4.34Å; F326-F412 AromaticContact CZ-CE2 3.95Å; F326-F412 HydrophobicContact CZ-CE2 3.95Å; F326-F412 HydrophobicContact CZ-CZ 4.3Å; F326-Y415 HydrophobicContact CD1-CE1 4.28Å; F326-Y415 AromaticContact CD1-CE2 3.93Å; F326-Y415 HydrophobicContact CD1-CE2 3.93Å; F326-Y415 AromaticContact CD1-CZ 3.8Å; F326-Y415 HydrophobicContact CE1-CE1 4.08Å; F326-Y415 HydrophobicContact CE1-CE2 4.44Å; F326-Y415 AromaticContact CE1-CZ 3.84Å
327	R	98.5	Very high	97.8	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-59.9	-49.4	178.2	176.6	156.9	38.9	116.6	17.7	112.6	L307 K309 E323 L324 S325 W329 C331 W374	L307-R327 HydrophobicContact CD2-CG 4.11Å; L307-R327 VanDerWaalsContact O-CD 3.32Å; L307-R327 WeakPolarHBondContact O-CD 3.13Å; L307-R327 PolarHBondContact O-NH1 2.82Å; K309-R327 PolarHBondContact O-NH1 2.93Å; K309-R327 PolarHBondContact O-NH2 3.23Å; E323-R327 WeakPolarHBondContact O-CB 3.31Å; E323-R327 PolarHBondContact O-N 2.85Å; E323-R327 IonicContact OE1-CZ 3.63Å; E323-R327 IonicContact OE1-NE 2.65Å; E323-R327 PolarHBondContact OE1-NE 3.25Å; E323-R327 IonicContact OE1-NH2 2.7Å; E323-R327 PolarHBondContact OE1-NH2 3.31Å; E323-R327 IonicContact OE2-CZ 3.43Å; E323-R327 IonicContact OE2-NE 3.74Å; E323-R327 IonicContact OE2-NH2 2.68Å; E323-R327 PolarHBondContact OE2-NH2 2.9Å; L324-R327 PolarHBondContact O-N 2.82Å; S325-R327 VanDerWaalsContact C-N 3.34Å; R327-W329 PolarHBondContact O-N 3.3Å; R327-C331 WeakPolarHBondContact O-CB 3.42Å; R327-C331 PolarHBondContact O-N 3.16Å; R327-C331 PolarHBondContact O-SG 2.99Å; R327-W374 HydrophobicContact CB-CH2 3.54Å; R327-W374 HydrophobicContact CB-CZ2 3.46Å; R327-W374 VanDerWaalsContact CB-CZ2 3.46Å; R327-W374 HydrophobicContact CB-CZ3 4.08Å; R327-W374 HydrophobicContact CG-CH2 3.52Å; R327-W374 HydrophobicContact CG-CZ2 3.66Å; R327-W374 HydrophobicContact CG-CZ3 4.37Å
328	V	98.8	Very high	98	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.8	-52.2	179.2	170.4	0	0	0	0	110.3	V235 L307 L324 S325 G332 G333 L335	V235-V328 HydrophobicContact CG2-CG1 3.95Å; V235-V328 HydrophobicContact CG2-CG2 3.75Å; L307-V328 HydrophobicContact CD1-CG2 3.59Å; L324-V328 HydrophobicContact CD1-CG2 3.93Å; L324-V328 HydrophobicContact CG-CG2 4.2Å; L324-V328 WeakPolarHBondContact O-CB 3.32Å; L324-V328 WeakPolarHBondContact O-CG2 3.48Å; L324-V328 PolarHBondContact O-N 2.98Å; S325-V328 PolarHBondContact O-N 3.25Å; V328-G332 PolarHBondContact O-N 2.92Å; V328-G333 CarbonylContact O-C 3.56Å; V328-G333 WeakPolarHBondContact O-CA 3.5Å; V328-G333 PolarHBondContact O-N 3.35Å; V328-L335 HydrophobicContact CB-CD2 3.89Å; V328-L335 HydrophobicContact CG1-CD2 3.69Å; V328-L335 HydrophobicContact CG1-CG 4.25Å; V328-L335 HydrophobicContact CG2-CD2 4.16Å
329	W	98.8	Very high	98.2	Very high	7 Å²	7	7.9 Å²	7.9	3%	0.027	6%	0.059	C	C	.	.	H	α-helix	trans	-63	-48.7	-178.9	-83.6	119.1	0	0	0	113	R288 T289 P290 S325 F326 R327 C331 L335 W414 Y415 V419	R288-W329 HydrophobicContact CB-CH2 4.43Å; R288-W329 HydrophobicContact CB-CZ2 4.48Å; R288-W329 HydrophobicContact CG-CH2 4.31Å; T289-W329 WeakPolarHBondContact O-CZ2 3.44Å; T289-W329 PolarHBondContact O-NE1 3.14Å; P290-W329 VanDerWaalsContact O-CD1 3.3Å; P290-W329 PolarHBondContact O-NE1 3.44Å; S325-W329 VanDerWaalsContact O-CD1 3.31Å; S325-W329 PolarHBondContact O-N 3.37Å; S325-W329 VanDerWaalsContact O-N 3.13Å; F326-W329 PolarHBondContact O-N 3.11Å; R327-W329 PolarHBondContact O-N 3.3Å; W329-C331 VanDerWaalsContact C-N 3.29Å; W329-C331 PolarHBondContact O-N 3.42Å; W329-L335 HydrophobicContact CZ2-CB 4.03Å; W329-L335 VanDerWaalsContact CZ2-N 3.26Å; W329-L335 WeakPolarHBondContact CZ2-O 3.46Å; W329-W414 WeakPolarHBondContact O-CZ3 3.5Å; W329-Y415 HydrophobicContact CB-CD2 3.82Å; W329-Y415 HydrophobicContact CB-CE2 3.94Å; W329-Y415 AromaticContact CD1-CE2 3.72Å; W329-Y415 HydrophobicContact CG-CD2 4.28Å; W329-Y415 AromaticContact CG-CE2 3.98Å; W329-Y415 HydrophobicContact CG-CE2 3.98Å; W329-V419 HydrophobicContact CB-CG2 4.2Å; W329-V419 HydrophobicContact CD2-CB 4.36Å; W329-V419 HydrophobicContact CD2-CG1 3.61Å; W329-V419 HydrophobicContact CD2-CG2 3.76Å; W329-V419 HydrophobicContact CE3-CG1 4.32Å; W329-V419 HydrophobicContact CE3-CG2 3.76Å; W329-V419 HydrophobicContact CG-CB 4.47Å; W329-V419 HydrophobicContact CG-CG1 3.73Å; W329-V419 HydrophobicContact CG-CG2 3.99Å; W329-V419 HydrophobicContact CZ2-CG1 4.17Å
330	M	98.8	Very high	98.4	Very high	2 Å²	2	8 Å²	8	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-74.8	-21.5	-173.4	-64.4	166.6	63.6	0	0	112	F326 W374 R404 C409 K410 F412 Y415	F326-M330 HydrophobicContact CB-SD 4Å; F326-M330 WeakPolarHBondContact O-CB 3.42Å; F326-M330 WeakPolarHBondContact O-CG 3.49Å; F326-M330 PolarHBondContact O-N 3.32Å; M330-W374 HydrophobicContact CB-CE3 4.5Å; M330-W374 HydrophobicContact CB-CZ3 4.34Å; M330-W374 HydrophobicContact CE-CE3 3.96Å; M330-W374 WeakPolarHBondContact CE-O 3.39Å; M330-W374 HydrophobicContact SD-CE3 3.89Å; M330-R404 VanDerWaalsContact CE-NH2 3.26Å; M330-C409 HydrophobicContact CB-CB 4.33Å; M330-C409 CarbonylContact O-C 3.44Å; M330-C409 VanDerWaalsContact O-CA 3.22Å; M330-C409 WeakPolarHBondContact O-CA 3.44Å; M330-C409 WeakPolarHBondContact O-CB 3.29Å; M330-K410 WeakPolarHBondContact CE-O 3.32Å; M330-K410 PolarHBondContact O-N 2.9Å; M330-F412 HydrophobicContact CE-CB 4.42Å; M330-F412 HydrophobicContact SD-CD2 4.18Å; M330-Y415 HydrophobicContact CG-CD2 4.25Å
331	C	98.5	Very high	98.4	Very high	18 Å²	18	7.6 Å²	7.6	12%	0.122	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	19	-178.2	-50.4	0	0	0	0	113.5	L307 R327 W329 C409	L307-C331 HydrophobicContact CD2-CB 4.16Å; R327-C331 WeakPolarHBondContact O-CB 3.42Å; R327-C331 PolarHBondContact O-N 3.16Å; R327-C331 PolarHBondContact O-SG 2.99Å; W329-C331 VanDerWaalsContact C-N 3.29Å; W329-C331 PolarHBondContact O-N 3.42Å; C331-C409 HydrophobicContact CB-CB 4.08Å; C331-C409 WeakPolarHBondContact CB-SG 3.39Å; C331-C409 WeakPolarHBondContact SG-CB 3.28Å; C331-C409 CovalentContact SG-SG 2.04Å; C331-C409 PolarHBondContact SG-SG 3.19Å
332	G	97.6	Very high	98.5	Very high	59 Å²	59	7.7 Å²	7.7	61%	0.608	6%	0.058	S	C	*	.	T	Hydrogen-bonded Turn	trans	102	4.2	165.1	0	0	0	0	0	116.6	V328	V328-G332 PolarHBondContact O-N 2.92Å
333	G	98.4	Very high	98.5	Very high	8 Å²	8	7.6 Å²	7.6	8%	0.082	6%	0.057	C	C	.	.			trans	-97.4	-169.4	171.5	0	0	0	0	0	113	T233 V328	T233-G333 WeakPolarHBondContact O-CA 3.35Å; V328-G333 CarbonylContact O-C 3.56Å; V328-G333 WeakPolarHBondContact O-CA 3.5Å; V328-G333 PolarHBondContact O-N 3.35Å
334	S	98.7	Very high	98.5	Very high	17 Å²	17	7.5 Å²	7.5	12%	0.119	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.9	176.1	65.8	0	0	0	0	112.8	T233 V235	T233-S334 PolarHBondContact O-N 3.49Å; V235-S334 PolarHBondContact N-O 3.48Å
335	L	98.8	Very high	98.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130	174.6	-53.5	176.6	0	0	0	110.1	V235 R288 T289 I292 S325 V328 W329	V235-L335 HydrophobicContact CB-CD2 3.68Å; V235-L335 HydrophobicContact CG1-CD2 4.2Å; V235-L335 HydrophobicContact CG2-CD2 4.22Å; V235-L335 WeakPolarHBondContact O-CA 3.48Å; R288-L335 WeakPolarHBondContact CA-O 3.24Å; T289-L335 HydrophobicContact CG2-CB 3.71Å; T289-L335 PolarHBondContact N-O 2.96Å; T289-L335 WeakPolarHBondContact O-CB 3.38Å; I292-L335 HydrophobicContact CG2-CB 4.26Å; I292-L335 HydrophobicContact CG2-CD1 4.25Å; I292-L335 HydrophobicContact CG2-CD2 4.37Å; S325-L335 VanDerWaalsContact CB-CD1 3.41Å; S325-L335 WeakPolarHBondContact OG-CD1 2.94Å; V328-L335 HydrophobicContact CB-CD2 3.89Å; V328-L335 HydrophobicContact CG1-CD2 3.69Å; V328-L335 HydrophobicContact CG1-CG 4.25Å; V328-L335 HydrophobicContact CG2-CD2 4.16Å; W329-L335 HydrophobicContact CZ2-CB 4.03Å; W329-L335 VanDerWaalsContact CZ2-N 3.26Å; W329-L335 WeakPolarHBondContact CZ2-O 3.46Å
336	E	98.4	Very high	98.5	Very high	14 Å²	14	8.6 Å²	8.6	7%	0.065	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.1	179.9	-52.4	-178	155.9	0	0	112	R227 R234 V235 V236 S237 P286 I287	R227-E336 IonicContact CZ-OE1 2.74Å; R227-E336 IonicContact CZ-OE2 4Å; R227-E336 IonicContact NE-OE1 2.82Å; R227-E336 IonicContact NE-OE2 3.4Å; R227-E336 PolarHBondContact NE-OE2 3.16Å; R227-E336 IonicContact NH2-OE1 3.68Å; R227-E336 PolarHBondContact NH2-OE1 2.7Å; R227-E336 IonicContact NH2-OE2 3.73Å; R227-E336 PolarHBondContact NH2-OE2 2.85Å; R234-E336 IonicContact NE-OE1 2.69Å; V235-E336 PolarHBondContact O-N 3.47Å; V236-E336 CarbonylContact C-O 3.59Å; V236-E336 WeakPolarHBondContact CA-O 3.39Å; V236-E336 HydrophobicContact CG1-CB 4.03Å; V236-E336 HydrophobicContact CG1-CG 4.48Å; S237-E336 PolarHBondContact N-O 3.36Å; P286-E336 HydrophobicContact CB-CB 4.12Å; P286-E336 HydrophobicContact CB-CG 4.46Å; I287-E336 CarbonylContact O-C 3.56Å; I287-E336 VanDerWaalsContact O-CA 3.31Å; I287-E336 WeakPolarHBondContact O-CA 2.99Å
337	I	98.5	Very high	98.2	Very high	7 Å²	7	11.9 Å²	11.9	4%	0.036	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.8	162.6	-65.1	166.9	0	0	0	107.3	S237 I239 R258 W269 P286 I287 T289 P339	S237-I337 CarbonylContact O-C 3.45Å; S237-I337 VanDerWaalsContact O-CA 3.29Å; S237-I337 WeakPolarHBondContact O-CA 3.36Å; I239-I337 HydrophobicContact CG1-CG2 3.84Å; R258-I337 HydrophobicContact CB-CD1 4.23Å; W269-I337 HydrophobicContact CZ3-CD1 4.19Å; P286-I337 CarbonylContact C-O 3.47Å; P286-I337 WeakPolarHBondContact CA-O 3.48Å; I287-I337 HydrophobicContact CB-CB 4.43Å; I287-I337 PolarHBondContact N-O 2.71Å; I287-I337 PolarHBondContact O-N 3.18Å; T289-I337 HydrophobicContact CG2-CD1 4.28Å; T289-I337 HydrophobicContact CG2-CG1 4.02Å; I337-P339 WeakPolarHBondContact O-CD 3.35Å
338	V	98.3	Very high	97.9	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.036	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104.7	-176.6	-176	0	0	0	0	109.6	P223 M224 R227 V236 S237 C340 S341	P223-V338 HydrophobicContact CB-CG1 3.61Å; M224-V338 HydrophobicContact CG-CB 4.35Å; M224-V338 HydrophobicContact CG-CG2 4.34Å; R227-V338 HydrophobicContact CG-CG2 3.94Å; V236-V338 HydrophobicContact CB-CG2 3.99Å; V236-V338 HydrophobicContact CG1-CG2 4.38Å; S237-V338 PolarHBondContact O-N 2.86Å; V338-C340 VanDerWaalsContact C-N 3.31Å; V338-C340 PolarHBondContact O-N 3.35Å; V338-S341 WeakPolarHBondContact O-CB 3.1Å; V338-S341 PolarHBondContact O-N 2.98Å; V338-S341 VanDerWaalsContact O-O 3.14Å
339	P	97.6	Very high	97.2	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.019	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	-28.3	-168.8	-27.8	37.6	0	0	0	116.3	I239 R285 I287 I337 S341 R342	I239-P339 VanDerWaalsContact CD1-CA 3.5Å; I239-P339 HydrophobicContact CD1-CB 3.79Å; R285-P339 WeakPolarHBondContact O-CD 3.35Å; R285-P339 WeakPolarHBondContact O-CG 3.45Å; I287-P339 HydrophobicContact CD1-CG 3.94Å; I287-P339 HydrophobicContact CG1-CG 4.44Å; I337-P339 WeakPolarHBondContact O-CD 3.35Å; P339-S341 PolarHBondContact O-N 3.28Å; P339-R342 PolarHBondContact O-NE 3.36Å
340	C	98.2	Very high	96.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-9.7	175.7	-63.9	0	0	0	0	113.2	R109 C113 P223 T284 V338	R109-C340 VanDerWaalsContact CD-O 3.23Å; R109-C340 WeakPolarHBondContact CD-O 3.48Å; C113-C340 VanDerWaalsContact CA-SG 3.51Å; C113-C340 HydrophobicContact CB-CB 3.66Å; C113-C340 WeakPolarHBondContact CB-SG 3.09Å; C113-C340 WeakPolarHBondContact SG-CA 3.46Å; C113-C340 WeakPolarHBondContact SG-CB 3.08Å; C113-C340 CovalentContact SG-SG 2.05Å; C113-C340 PolarHBondContact SG-SG 3.39Å; P223-C340 HydrophobicContact CB-CB 4.42Å; P223-C340 HydrophobicContact CG-CB 4.25Å; T284-C340 VanDerWaalsContact CB-SG 3.55Å; V338-C340 VanDerWaalsContact C-N 3.31Å; V338-C340 PolarHBondContact O-N 3.35Å
341	S	98.7	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.7	168.9	-172.7	0	0	0	0	109.9	W220 M224 P238 I239 V338 P339	W220-S341 WeakPolarHBondContact O-CB 3.41Å; W220-S341 PolarHBondContact O-OG 2.63Å; M224-S341 WeakPolarHBondContact CE-OG 2.9Å; P238-S341 WeakPolarHBondContact CA-O 3.4Å; P238-S341 WeakPolarHBondContact CB-O 3.33Å; P238-S341 WeakPolarHBondContact CB-OG 3.27Å; I239-S341 PolarHBondContact N-O 3.06Å; V338-S341 WeakPolarHBondContact O-CB 3.1Å; V338-S341 PolarHBondContact O-N 2.98Å; V338-S341 VanDerWaalsContact O-O 3.14Å; P339-S341 PolarHBondContact O-N 3.28Å
342	R	98.8	Very high	95.3	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.049	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127	-176.4	-68.5	-75.2	177.2	153.7	6.4	109.8	T108 R109 N217 I239 D241 A253 P339	T108-R342 VanDerWaalsContact O-CZ 3.26Å; T108-R342 PolarHBondContact O-NE 3.01Å; T108-R342 PolarHBondContact O-NH2 3.25Å; R109-R342 HydrophobicContact CG-CB 4.47Å; R109-R342 HydrophobicContact CG-CG 3.73Å; N217-R342 HydrophobicContact CB-CB 3.68Å; N217-R342 VanDerWaalsContact CB-O 3.28Å; N217-R342 WeakPolarHBondContact CB-O 3.36Å; N217-R342 PolarHBondContact N-O 2.87Å; I239-R342 VanDerWaalsContact CG2-NH1 3.28Å; D241-R342 IonicContact OD1-CZ 2.71Å; D241-R342 IonicContact OD1-NH1 2.98Å; D241-R342 PolarHBondContact OD1-NH1 2.93Å; D241-R342 WeakPolarHBondContact OD2-CD 3.48Å; A253-R342 PolarHBondContact O-NH1 2.86Å; P339-R342 PolarHBondContact O-NE 3.36Å
343	V	98.9	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.8	175.4	-178.8	0	0	0	0	109	L210 C214 V216 W220 P238 I239 I240 D241 I296	L210-V343 HydrophobicContact CD2-CG1 4.14Å; C214-V343 HydrophobicContact CB-CG1 3.98Å; V216-V343 HydrophobicContact CB-CG2 4.34Å; V216-V343 HydrophobicContact CG1-CG1 4.06Å; V216-V343 HydrophobicContact CG1-CG2 4.09Å; W220-V343 HydrophobicContact CB-CG2 4.44Å; W220-V343 HydrophobicContact CD2-CG2 4.18Å; W220-V343 HydrophobicContact CE3-CG2 3.42Å; W220-V343 VanDerWaalsContact CE3-CG2 3.42Å; W220-V343 HydrophobicContact CZ3-CG2 4.01Å; P238-V343 HydrophobicContact CB-CB 4.31Å; P238-V343 HydrophobicContact CB-CG2 3.87Å; P238-V343 HydrophobicContact CG-CB 3.91Å; P238-V343 HydrophobicContact CG-CG2 3.69Å; I239-V343 PolarHBondContact O-N 3.17Å; I239-V343 VanDerWaalsContact O-N 3.1Å; I240-V343 CarbonylContact C-O 3.18Å; I240-V343 VanDerWaalsContact CA-O 3.29Å; I240-V343 WeakPolarHBondContact CA-O 3.18Å; D241-V343 PolarHBondContact N-O 2.82Å; I296-V343 HydrophobicContact CD1-CB 4.23Å; I296-V343 HydrophobicContact CD1-CG1 3.8Å; I296-V343 HydrophobicContact CG2-CG2 4.45Å
344	G	98.7	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.4	172.9	0	0	0	0	0	111.1	C214 E215 D241 Y250	C214-G344 CarbonylContact C-O 3.08Å; C214-G344 WeakPolarHBondContact CA-O 3.11Å; E215-G344 PolarHBondContact N-O 2.83Å; E215-G344 PolarHBondContact O-N 3.43Å; D241-G344 CarbonylContact O-C 3.49Å; D241-G344 WeakPolarHBondContact O-CA 3.15Å; Y250-G344 VanDerWaalsContact CE2-CA 3.43Å; Y250-G344 PolarHBondContact OH-N 3.2Å; Y250-G344 VanDerWaalsContact OH-N 3.15Å
345	H	98.7	Very high	93.5	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.102	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.1	177.8	172.5	-92.4	0	0	0	110.9	D211 H213 I240 D241 I243 I296 F347	D211-H345 IonicContact OD2-NE2 3.35Å; H213-H345 AromaticContact CD2-CD2 3.82Å; H213-H345 AromaticContact CD2-NE2 3.46Å; H213-H345 PolarHBondContact CD2-NE2 2.75Å; H213-H345 AromaticContact NE2-NE2 3.32Å; H213-H345 PolarHBondContact NE2-NE2 3.3Å; I240-H345 HydrophobicContact CG2-CB 3.49Å; I240-H345 VanDerWaalsContact CG2-CB 3.49Å; D241-H345 PolarHBondContact O-N 2.83Å; I243-H345 PolarHBondContact N-O 2.92Å; I296-H345 HydrophobicContact CD1-CB 4.36Å; H345-F347 HydrophobicContact CB-CE2 4.1Å; H345-F347 HydrophobicContact CB-CZ 4.35Å; H345-F347 AromaticContact CE1-CD1 3.98Å; H345-F347 AromaticContact ND1-CD1 3.54Å; H345-F347 AromaticContact ND1-CD2 3.71Å; H345-F347 AromaticContact ND1-CE1 3.59Å; H345-F347 AromaticContact ND1-CE2 3.77Å; H345-F347 AromaticContact ND1-CG 3.62Å; H345-F347 AromaticContact ND1-CZ 3.72Å; H345-F347 VanDerWaalsContact O-CD2 3.3Å; H345-F347 WeakPolarHBondContact O-CD2 3.2Å; H345-F347 PolarHBondContact O-N 3.04Å
346	V	98.3	Very high	92.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	98	174.5	-174.9	0	0	0	0	110.1	F91 H213 I243 L245 F248 R348	F91-V346 HydrophobicContact CB-CG1 3.81Å; F91-V346 HydrophobicContact CD1-CG1 3.89Å; F91-V346 HydrophobicContact CG-CG1 4.05Å; H213-V346 HydrophobicContact CB-CB 4.25Å; H213-V346 HydrophobicContact CB-CG2 4.14Å; H213-V346 PolarHBondContact O-N 3.38Å; I243-V346 HydrophobicContact CB-CG2 3.83Å; I243-V346 HydrophobicContact CD1-CG2 4.26Å; I243-V346 HydrophobicContact CG2-CG2 3.76Å; L245-V346 HydrophobicContact CB-CG1 4.26Å; F248-V346 HydrophobicContact CE1-CG2 3.88Å; F248-V346 HydrophobicContact CZ-CG2 4.32Å; V346-R348 PolarHBondContact O-N 2.79Å
347	F	92.9	Very high	91.9	Very high	69 Å²	69	49.2 Å²	49.2	30%	0.303	23%	0.234	S	C	.	.			trans	-76.3	117.7	176.7	-69.1	-84.5	0	0	0	111.2	I240 V242 L245 H345	I240-F347 HydrophobicContact CB-CZ 4.38Å; I240-F347 HydrophobicContact CG2-CE2 3.95Å; I240-F347 HydrophobicContact CG2-CZ 3.58Å; V242-F347 HydrophobicContact CB-CD2 4.32Å; V242-F347 HydrophobicContact CB-CE2 4.48Å; V242-F347 HydrophobicContact CG1-CD2 4.19Å; V242-F347 HydrophobicContact CG2-CD2 3.96Å; V242-F347 HydrophobicContact CG2-CE2 3.89Å; L245-F347 WeakPolarHBondContact CD2-O 3.34Å; H345-F347 HydrophobicContact CB-CE2 4.1Å; H345-F347 HydrophobicContact CB-CZ 4.35Å; H345-F347 AromaticContact CE1-CD1 3.98Å; H345-F347 AromaticContact ND1-CD1 3.54Å; H345-F347 AromaticContact ND1-CD2 3.71Å; H345-F347 AromaticContact ND1-CE1 3.59Å; H345-F347 AromaticContact ND1-CE2 3.77Å; H345-F347 AromaticContact ND1-CG 3.62Å; H345-F347 AromaticContact ND1-CZ 3.72Å; H345-F347 VanDerWaalsContact O-CD2 3.3Å; H345-F347 WeakPolarHBondContact O-CD2 3.2Å; H345-F347 PolarHBondContact O-N 3.04Å
348	R	91.2	Very high	91.3	Very high	55 Å²	55	50.4 Å²	50.4	21%	0.208	25%	0.249	C	C	.	.			trans	-98.9	150.3	-177.7	-51.5	178.9	-160.9	-157.5	7.3	110.8	H89 A90 F91 E134 H213 V346	H89-R348 WeakPolarHBondContact O-CD 3.41Å; H89-R348 PolarHBondContact O-NH1 2.82Å; A90-R348 HydrophobicContact CB-CB 4.41Å; F91-R348 HydrophobicContact CD1-CG 4.49Å; F91-R348 VanDerWaalsContact CE1-CZ 3.41Å; E134-R348 IonicContact OE1-NH1 3.68Å; E134-R348 IonicContact OE1-NH2 3.75Å; E134-R348 PolarHBondContact OE1-NH2 2.79Å; E134-R348 IonicContact OE2-NH2 2.67Å; E134-R348 PolarHBondContact OE2-NH2 3Å; H213-R348 PolarHBondContact CE1-NH2 2.96Å; H213-R348 PolarHBondContact ND1-NH2 2.92Å; H213-R348 PolarHBondContact NE2-NH2 3.12Å; V346-R348 PolarHBondContact O-N 2.79Å
349	K	84.7	Confident	90.9	Very high	182 Å²	182	53 Å²	53	79%	0.791	26%	0.263	S	S	*	.	S	Bend	trans	-84.2	-21	174.8	-66	179.4	-178.3	170.3	0	113.5	L245	L245-K349 HydrophobicContact CD2-CG 4.35Å
350	R	88	Confident	90.4	Very high	117 Å²	117	56.1 Å²	56.1	44%	0.442	29%	0.288	S	S	.	.	S	Bend	trans	-141.8	156.1	-179.4	68	-179.7	-176.3	93.5	-0.8	110.4	Y86 R87 A90	Y86-R350 PolarHBondContact O-NH2 3.05Å; R87-R350 PolarHBondContact O-NH2 3.44Å; A90-R350 HydrophobicContact CB-CG 3.49Å; A90-R350 VanDerWaalsContact CB-CG 3.49Å; A90-R350 WeakPolarHBondContact CB-O 3.46Å
351	H	84.5	Confident	90.1	Very high	58 Å²	58	59.4 Å²	59.4	27%	0.269	31%	0.305	S	S	.	.			trans	-81.3	129	171.7	-57.1	-82.8	0	0	0	109.6	W317 Y353 F355 N359	W317-H351 AromaticContact CD2-CE1 3.74Å; W317-H351 AromaticContact CE2-CE1 3.75Å; W317-H351 AromaticContact CE3-CE1 3.65Å; W317-H351 AromaticContact CH2-CE1 3.65Å; W317-H351 AromaticContact CH2-NE2 3.94Å; W317-H351 AromaticContact CZ2-CE1 3.74Å; W317-H351 AromaticContact CZ3-CE1 3.6Å; W317-H351 AromaticContact CZ3-NE2 3.7Å; H351-Y353 VanDerWaalsContact C-N 3.34Å; H351-Y353 HydrophobicContact CB-CD2 4.35Å; H351-Y353 HydrophobicContact CB-CE1 4.42Å; H351-Y353 HydrophobicContact CB-CE2 3.95Å; H351-Y353 AromaticContact ND1-CZ 3.59Å; H351-Y353 PolarHBondContact ND1-OH 2.65Å; H351-F355 HydrophobicContact CB-CE2 3.75Å; H351-F355 HydrophobicContact CB-CZ 4.22Å; H351-F355 AromaticContact CG-CE2 4Å; H351-N359 PolarHBondContact CD2-ND2 2.8Å
352	P	84.1	Confident	89.8	Confident	37 Å²	37	59.6 Å²	59.6	24%	0.24	31%	0.307	C	S	.	.			trans	-84.6	-5.5	179.2	31.1	-33.8	0	0	0	114.4	Q88 A90	Q88-P352 WeakPolarHBondContact O-CB 3.27Å; A90-P352 HydrophobicContact CB-CB 4.23Å
353	Y	84.8	Confident	89.6	Confident	52 Å²	52	60.1 Å²	60.1	20%	0.204	31%	0.309	C	S	.	.	S	Bend	trans	-107.1	157.4	-175.9	43.2	-99.8	0	0	0	112.4	I316 W317 H351 F355	I316-Y353 HydrophobicContact CG2-CD2 4.29Å; I316-Y353 HydrophobicContact CG2-CE2 4.2Å; W317-Y353 HydrophobicContact CB-CE2 4.41Å; H351-Y353 VanDerWaalsContact C-N 3.34Å; H351-Y353 HydrophobicContact CB-CD2 4.35Å; H351-Y353 HydrophobicContact CB-CE1 4.42Å; H351-Y353 HydrophobicContact CB-CE2 3.95Å; H351-Y353 AromaticContact ND1-CZ 3.59Å; H351-Y353 PolarHBondContact ND1-OH 2.65Å; Y353-F355 HydrophobicContact CD2-CD2 4.44Å; Y353-F355 AromaticContact CD2-CE2 3.83Å; Y353-F355 HydrophobicContact CD2-CE2 3.83Å; Y353-F355 HydrophobicContact CD2-CZ 4.03Å; Y353-F355 HydrophobicContact CE2-CE1 4.25Å; Y353-F355 AromaticContact CE2-CE2 3.7Å; Y353-F355 HydrophobicContact CE2-CE2 3.7Å; Y353-F355 AromaticContact CE2-CZ 3.47Å; Y353-F355 HydrophobicContact CE2-CZ 3.47Å; Y353-F355 VanDerWaalsContact CE2-CZ 3.47Å
354	N	83.6	Confident	89.5	Confident	143 Å²	143	60.6 Å²	60.6	77%	0.765	31%	0.311	S	S	*	.			trans	-77.2	143	-179	-64.8	-28.3	0	0	0	111.8
355	F	87.6	Confident	89.4	Confident	29 Å²	29	62.8 Å²	62.8	13%	0.127	32%	0.319	C	S	.	.			trans	-111.6	114	169.6	-68.7	-99.1	0	0	0	107.7	I316 W317 H351 Y353 E357 G358 N359 T362	I316-F355 HydrophobicContact CB-CD1 4.19Å; I316-F355 HydrophobicContact CB-CE1 4.29Å; I316-F355 HydrophobicContact CG2-CD1 3.92Å; I316-F355 HydrophobicContact CG2-CE1 3.81Å; I316-F355 HydrophobicContact CG2-CZ 4.49Å; W317-F355 HydrophobicContact CB-CE1 4.26Å; H351-F355 HydrophobicContact CB-CE2 3.75Å; H351-F355 HydrophobicContact CB-CZ 4.22Å; H351-F355 AromaticContact CG-CE2 4Å; Y353-F355 HydrophobicContact CD2-CD2 4.44Å; Y353-F355 AromaticContact CD2-CE2 3.83Å; Y353-F355 HydrophobicContact CD2-CE2 3.83Å; Y353-F355 HydrophobicContact CD2-CZ 4.03Å; Y353-F355 HydrophobicContact CE2-CE1 4.25Å; Y353-F355 AromaticContact CE2-CE2 3.7Å; Y353-F355 HydrophobicContact CE2-CE2 3.7Å; Y353-F355 AromaticContact CE2-CZ 3.47Å; Y353-F355 HydrophobicContact CE2-CZ 3.47Å; Y353-F355 VanDerWaalsContact CE2-CZ 3.47Å; F355-E357 PolarHBondContact O-N 3.18Å; F355-G358 PolarHBondContact O-N 3.3Å; F355-N359 HydrophobicContact CD1-CB 4.3Å; F355-N359 HydrophobicContact CD2-CB 3.73Å; F355-N359 HydrophobicContact CE1-CB 4.38Å; F355-N359 HydrophobicContact CE2-CB 3.83Å; F355-N359 HydrophobicContact CG-CB 3.96Å; F355-N359 HydrophobicContact CZ-CB 4.13Å; F355-N359 WeakPolarHBondContact CZ-OD1 3.35Å; F355-T362 HydrophobicContact CD1-CG2 3.99Å; F355-T362 HydrophobicContact CE1-CG2 4.36Å
356	P	83.2	Confident	89.3	Confident	112 Å²	112	61.8 Å²	61.8	73%	0.727	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.2	-175.1	-28.8	35.4	0	0	0	113.9
357	E	79.9	Confident	89.3	Confident	125 Å²	125	61.7 Å²	61.7	58%	0.584	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	9.4	177.1	-58.6	-169	166.9	0	0	113	F355 L361	F355-E357 PolarHBondContact O-N 3.18Å; E357-L361 WeakPolarHBondContact O-CB 3.34Å; E357-L361 WeakPolarHBondContact O-CD1 3.48Å
358	G	87.7	Confident	89.5	Confident	33 Å²	33	58.8 Å²	58.8	34%	0.34	30%	0.301	S	S	.	.			trans	83.9	147.9	-173	0	0	0	0	0	113.8	F355 A360 L361 T362	F355-G358 PolarHBondContact O-N 3.3Å; G358-A360 PolarHBondContact O-N 2.85Å; G358-L361 PolarHBondContact O-N 2.93Å; G358-T362 WeakPolarHBondContact O-CB 3.42Å; G358-T362 PolarHBondContact O-N 3.1Å; G358-T362 PolarHBondContact O-OG1 2.77Å
359	N	88.1	Confident	89.8	Confident	61 Å²	61	56.2 Å²	56.2	33%	0.326	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-49.9	-174.2	-178.1	13.7	0	0	0	112	H351 F355 L361 T362 Y363	H351-N359 PolarHBondContact CD2-ND2 2.8Å; F355-N359 HydrophobicContact CD1-CB 4.3Å; F355-N359 HydrophobicContact CD2-CB 3.73Å; F355-N359 HydrophobicContact CE1-CB 4.38Å; F355-N359 HydrophobicContact CE2-CB 3.83Å; F355-N359 HydrophobicContact CG-CB 3.96Å; F355-N359 HydrophobicContact CZ-CB 4.13Å; F355-N359 WeakPolarHBondContact CZ-OD1 3.35Å; N359-L361 PolarHBondContact O-N 2.74Å; N359-T362 PolarHBondContact O-N 2.86Å; N359-Y363 WeakPolarHBondContact O-CB 3.28Å; N359-Y363 PolarHBondContact O-N 2.79Å
360	A	88.3	Confident	90.5	Very high	67 Å²	67	47.6 Å²	47.6	55%	0.554	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-42.1	-176.7	0	0	0	0	0	112.9	G358 I364	G358-A360 PolarHBondContact O-N 2.85Å; A360-I364 WeakPolarHBondContact O-CB 3.39Å; A360-I364 WeakPolarHBondContact O-CD1 3.47Å; A360-I364 WeakPolarHBondContact O-CG1 3.43Å; A360-I364 PolarHBondContact O-N 3.4Å
361	L	91.3	Very high	91	Very high	72 Å²	72	42 Å²	42	38%	0.377	23%	0.233	S	C	.	.	H	α-helix	trans	-70.8	-40	179.3	-70.6	177	0	0	0	111.8	E357 G358 N359 I364 R365 K392	E357-L361 WeakPolarHBondContact O-CB 3.34Å; E357-L361 WeakPolarHBondContact O-CD1 3.48Å; G358-L361 PolarHBondContact O-N 2.93Å; N359-L361 PolarHBondContact O-N 2.74Å; L361-I364 PolarHBondContact O-N 2.76Å; L361-R365 WeakPolarHBondContact O-CB 3.35Å; L361-R365 PolarHBondContact O-N 2.87Å; L361-K392 HydrophobicContact CD2-CD 4.09Å
362	T	93.7	Very high	91.6	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-48.2	174.5	-55.4	0	0	0	0	110.9	D315 I316 F355 G358 N359 I364 R365 N366	D315-T362 HydrophobicContact CB-CG2 4.05Å; D315-T362 WeakPolarHBondContact O-CG2 3.29Å; I316-T362 HydrophobicContact CB-CG2 4.17Å; F355-T362 HydrophobicContact CD1-CG2 3.99Å; F355-T362 HydrophobicContact CE1-CG2 4.36Å; G358-T362 WeakPolarHBondContact O-CB 3.42Å; G358-T362 PolarHBondContact O-N 3.1Å; G358-T362 PolarHBondContact O-OG1 2.77Å; N359-T362 PolarHBondContact O-N 2.86Å; T362-I364 PolarHBondContact O-N 3.24Å; T362-R365 WeakPolarHBondContact O-CB 3.31Å; T362-R365 PolarHBondContact O-N 3.27Å; T362-N366 PolarHBondContact O-N 3.35Å
363	Y	94.3	Very high	92.3	Very high	24 Å²	24	39.7 Å²	39.7	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-42.8	178	-170.7	-98.4	0	0	0	112.3	L265 W317 N359 N366 T367	L265-Y363 PolarHBondContact O-OH 2.71Å; W317-Y363 HydrophobicContact CE3-CD2 4.3Å; W317-Y363 HydrophobicContact CH2-CE2 4.34Å; W317-Y363 AromaticContact CZ3-CD2 3.76Å; W317-Y363 HydrophobicContact CZ3-CD2 3.76Å; W317-Y363 AromaticContact CZ3-CE2 3.95Å; W317-Y363 HydrophobicContact CZ3-CE2 3.95Å; N359-Y363 WeakPolarHBondContact O-CB 3.28Å; N359-Y363 PolarHBondContact O-N 2.79Å; Y363-N366 PolarHBondContact O-N 3.07Å; Y363-T367 HydrophobicContact CD1-CG2 4.06Å; Y363-T367 HydrophobicContact CE1-CG2 3.72Å; Y363-T367 HydrophobicContact CE2-CG2 4.26Å; Y363-T367 HydrophobicContact CG-CG2 4.5Å; Y363-T367 WeakPolarHBondContact O-CB 3.42Å; Y363-T367 WeakPolarHBondContact O-CG2 3.35Å; Y363-T367 PolarHBondContact O-N 2.88Å; Y363-T367 PolarHBondContact O-OG1 3.47Å
364	I	95.3	Very high	92.9	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.046	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-48	174.2	-76.4	167.2	0	0	0	110.2	A360 L361 T362 N366 T367 K368 A389 K392	A360-I364 WeakPolarHBondContact O-CB 3.39Å; A360-I364 WeakPolarHBondContact O-CD1 3.47Å; A360-I364 WeakPolarHBondContact O-CG1 3.43Å; A360-I364 PolarHBondContact O-N 3.4Å; L361-I364 PolarHBondContact O-N 2.76Å; T362-I364 PolarHBondContact O-N 3.24Å; I364-N366 PolarHBondContact O-N 3.21Å; I364-T367 WeakPolarHBondContact CA-OG1 3.31Å; I364-T367 PolarHBondContact O-N 2.65Å; I364-T367 PolarHBondContact O-OG1 3.24Å; I364-K368 HydrophobicContact CG2-CD 3.84Å; I364-K368 HydrophobicContact CG2-CG 4.12Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.45Å; I364-K368 WeakPolarHBondContact O-CG 3.44Å; I364-K368 PolarHBondContact O-N 2.93Å; I364-A389 HydrophobicContact CG2-CB 3.84Å; I364-K392 HydrophobicContact CG2-CB 4.2Å; I364-K392 HydrophobicContact CG2-CG 4.37Å
365	R	96.5	Very high	93.6	Very high	47 Å²	47	30.5 Å²	30.5	18%	0.177	17%	0.174	C	C	.	.	H	α-helix	trans	-54.5	-52.6	178.7	169.2	174.5	171.4	96.8	7.2	110.9	Q313 D315 L361 T362 K368 R369	Q313-R365 PolarHBondContact O-NH2 3.47Å; D315-R365 WeakPolarHBondContact OD2-CD 3.49Å; D315-R365 IonicContact OD2-CZ 3.79Å; D315-R365 IonicContact OD2-NE 3.76Å; D315-R365 PolarHBondContact OD2-NE 3.4Å; D315-R365 IonicContact OD2-NH2 3.06Å; L361-R365 WeakPolarHBondContact O-CB 3.35Å; L361-R365 PolarHBondContact O-N 2.87Å; T362-R365 WeakPolarHBondContact O-CB 3.31Å; T362-R365 PolarHBondContact O-N 3.27Å; R365-K368 PolarHBondContact O-N 3.24Å; R365-R369 WeakPolarHBondContact O-CG 3.47Å; R365-R369 PolarHBondContact O-N 2.66Å; R365-R369 VanDerWaalsContact O-N 3.12Å
366	N	97.7	Very high	93.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-46.5	-177.6	-63.1	-11.8	0	0	0	112.2	M314 D315 W317 G318 T362 Y363 I364 K368 R369 T370	M314-N366 VanDerWaalsContact CA-OD1 3.25Å; M314-N366 WeakPolarHBondContact CA-OD1 3.46Å; M314-N366 HydrophobicContact CB-CB 4.41Å; M314-N366 WeakPolarHBondContact CB-OD1 3.36Å; M314-N366 HydrophobicContact CG-CB 4.15Å; M314-N366 HydrophobicContact SD-CB 4.31Å; D315-N366 PolarHBondContact N-OD1 3.27Å; D315-N366 PolarHBondContact O-ND2 3.29Å; W317-N366 PolarHBondContact O-ND2 2.82Å; G318-N366 WeakPolarHBondContact O-CB 3.39Å; G318-N366 PolarHBondContact O-ND2 2.74Å; T362-N366 PolarHBondContact O-N 3.35Å; Y363-N366 PolarHBondContact O-N 3.07Å; I364-N366 PolarHBondContact O-N 3.21Å; N366-K368 VanDerWaalsContact C-N 3.32Å; N366-K368 PolarHBondContact O-N 3.48Å; N366-R369 WeakPolarHBondContact O-CB 3.42Å; N366-R369 PolarHBondContact O-N 3.06Å; N366-R369 VanDerWaalsContact O-N 3.14Å; N366-T370 PolarHBondContact O-N 2.83Å; N366-T370 VanDerWaalsContact O-N 3.08Å; N366-T370 PolarHBondContact O-OG1 3.27Å
367	T	97.9	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-33.5	178.7	52.2	0	0	0	0	112.8	L265 Y363 I364 T370 A371 Y382	L265-T367 HydrophobicContact CB-CG2 4.09Å; L265-T367 HydrophobicContact CD1-CG2 4.38Å; Y363-T367 HydrophobicContact CD1-CG2 4.06Å; Y363-T367 HydrophobicContact CE1-CG2 3.72Å; Y363-T367 HydrophobicContact CE2-CG2 4.26Å; Y363-T367 HydrophobicContact CG-CG2 4.5Å; Y363-T367 WeakPolarHBondContact O-CB 3.42Å; Y363-T367 WeakPolarHBondContact O-CG2 3.35Å; Y363-T367 PolarHBondContact O-N 2.88Å; Y363-T367 PolarHBondContact O-OG1 3.47Å; I364-T367 WeakPolarHBondContact CA-OG1 3.31Å; I364-T367 PolarHBondContact O-N 2.65Å; I364-T367 PolarHBondContact O-OG1 3.24Å; T367-T370 WeakPolarHBondContact O-CB 3.41Å; T367-T370 PolarHBondContact O-N 2.87Å; T367-A371 WeakPolarHBondContact O-CB 3.17Å; T367-A371 PolarHBondContact O-N 3.27Å; T367-Y382 PolarHBondContact OG1-OH 2.95Å
368	K	97.4	Very high	94.7	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-44.5	170.4	-77.9	-172.2	74.8	161	0	112.1	I364 R365 N366 T370 A371 E372 Y382 Y383 A389 K392 F394	I364-K368 HydrophobicContact CG2-CD 3.84Å; I364-K368 HydrophobicContact CG2-CG 4.12Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.45Å; I364-K368 WeakPolarHBondContact O-CG 3.44Å; I364-K368 PolarHBondContact O-N 2.93Å; R365-K368 PolarHBondContact O-N 3.24Å; N366-K368 VanDerWaalsContact C-N 3.32Å; N366-K368 PolarHBondContact O-N 3.48Å; K368-T370 VanDerWaalsContact C-N 3.26Å; K368-T370 PolarHBondContact O-N 3.32Å; K368-A371 PolarHBondContact O-N 3.13Å; K368-E372 WeakPolarHBondContact O-CB 3.39Å; K368-E372 VanDerWaalsContact O-CG 3.26Å; K368-E372 WeakPolarHBondContact O-CG 3.39Å; K368-E372 PolarHBondContact O-N 3.01Å; K368-Y382 HydrophobicContact CG-CE1 3.84Å; K368-Y382 WeakPolarHBondContact CG-OH 3.39Å; K368-Y383 HydrophobicContact CD-CE1 4.36Å; K368-Y383 VanDerWaalsContact CE-OH 3.25Å; K368-Y383 WeakPolarHBondContact CE-OH 3.49Å; K368-Y383 HydrophobicContact CG-CE1 4.27Å; K368-A389 HydrophobicContact CD-CB 4.04Å; K368-A389 WeakPolarHBondContact CD-O 3.49Å; K368-A389 WeakPolarHBondContact CE-O 3.35Å; K368-A389 HydrophobicContact CG-CB 4.08Å; K368-A389 PolarHBondContact NZ-O 3.2Å; K368-K392 HydrophobicContact CD-CB 4.46Å; K368-K392 PolarHBondContact NZ-O 2.83Å; K368-F394 HydrophobicContact CB-CB 3.88Å; K368-F394 HydrophobicContact CB-CD1 4.34Å; K368-F394 HydrophobicContact CB-CG 4.09Å; K368-F394 HydrophobicContact CD-CB 4.44Å; K368-F394 HydrophobicContact CD-CD1 4.2Å
369	R	98.3	Very high	94.9	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-43	175.8	-65.8	178.7	68.3	75.2	8.8	110.8	D311 M314 R365 N366 V373 F394 S396 V397	D311-R369 VanDerWaalsContact CG-NH2 3.34Å; D311-R369 IonicContact OD1-CZ 3.92Å; D311-R369 IonicContact OD1-NE 3.2Å; D311-R369 IonicContact OD1-NH2 3.46Å; D311-R369 PolarHBondContact OD1-NH2 3.42Å; D311-R369 IonicContact OD2-CZ 3.41Å; D311-R369 IonicContact OD2-NE 2.82Å; D311-R369 PolarHBondContact OD2-NE 3.48Å; D311-R369 IonicContact OD2-NH2 2.63Å; D311-R369 PolarHBondContact OD2-NH2 2.71Å; M314-R369 HydrophobicContact CE-CB 4.25Å; R365-R369 WeakPolarHBondContact O-CG 3.47Å; R365-R369 PolarHBondContact O-N 2.66Å; R365-R369 VanDerWaalsContact O-N 3.12Å; N366-R369 WeakPolarHBondContact O-CB 3.42Å; N366-R369 PolarHBondContact O-N 3.06Å; N366-R369 VanDerWaalsContact O-N 3.14Å; R369-V373 VanDerWaalsContact O-CG2 3.25Å; R369-V373 WeakPolarHBondContact O-CG2 3.37Å; R369-V373 PolarHBondContact O-N 3.28Å; R369-F394 WeakPolarHBondContact CD-O 3.1Å; R369-F394 HydrophobicContact CG-CB 4.06Å; R369-F394 HydrophobicContact CG-CD2 4.15Å; R369-F394 WeakPolarHBondContact CG-O 3.26Å; R369-F394 PolarHBondContact NH1-O 2.66Å; R369-S396 PolarHBondContact NH1-O 2.83Å; R369-S396 PolarHBondContact NH2-O 2.76Å; R369-S396 VanDerWaalsContact NH2-O 3.13Å; R369-V397 HydrophobicContact CB-CG1 4.15Å; R369-V397 HydrophobicContact CG-CG1 4.1Å
370	T	98.4	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-51.5	174	-54.1	0	0	0	0	112	M314 G319 F322 E323 F326 N366 T367 K368 E372 V373 W374	M314-T370 WeakPolarHBondContact CE-OG1 3.35Å; G319-T370 PolarHBondContact O-OG1 2.72Å; F322-T370 HydrophobicContact CB-CG2 3.93Å; E323-T370 HydrophobicContact CB-CG2 4.1Å; F326-T370 HydrophobicContact CD2-CG2 3.71Å; F326-T370 HydrophobicContact CE2-CG2 3.8Å; N366-T370 PolarHBondContact O-N 2.83Å; N366-T370 VanDerWaalsContact O-N 3.08Å; N366-T370 PolarHBondContact O-OG1 3.27Å; T367-T370 WeakPolarHBondContact O-CB 3.41Å; T367-T370 PolarHBondContact O-N 2.87Å; K368-T370 VanDerWaalsContact C-N 3.26Å; K368-T370 PolarHBondContact O-N 3.32Å; T370-E372 PolarHBondContact O-N 2.73Å; T370-V373 PolarHBondContact O-N 3.34Å; T370-W374 WeakPolarHBondContact O-CB 3.37Å; T370-W374 PolarHBondContact O-N 3.08Å
371	A	98.1	Very high	94.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-43.4	-177.4	0	0	0	0	0	112.4	L265 T367 K368 V373 M375 K379 Y382	L265-A371 HydrophobicContact CD1-CB 4.33Å; T367-A371 WeakPolarHBondContact O-CB 3.17Å; T367-A371 PolarHBondContact O-N 3.27Å; K368-A371 PolarHBondContact O-N 3.13Å; A371-V373 VanDerWaalsContact C-N 3.32Å; A371-V373 PolarHBondContact O-N 3.22Å; A371-M375 HydrophobicContact CB-CG 4.42Å; A371-M375 HydrophobicContact CB-SD 3.67Å; A371-M375 WeakPolarHBondContact O-CB 3.49Å; A371-M375 PolarHBondContact O-N 3.49Å; A371-M375 VanDerWaalsContact O-N 3.09Å; A371-K379 HydrophobicContact CB-CB 4.21Å; A371-Y382 HydrophobicContact CB-CD1 3.89Å; A371-Y382 HydrophobicContact CB-CE1 4.36Å; A371-Y382 HydrophobicContact CB-CG 4.12Å
372	E	97.4	Very high	94.9	Very high	43 Å²	43	21.3 Å²	21.3	20%	0.201	10%	0.096	C	C	.	.	H	α-helix	trans	-68.1	-30	-178.7	-71.5	-65.5	161	0	0	113.5	K368 T370 K379 Y383 F394 V397	K368-E372 WeakPolarHBondContact O-CB 3.39Å; K368-E372 VanDerWaalsContact O-CG 3.26Å; K368-E372 WeakPolarHBondContact O-CG 3.39Å; K368-E372 PolarHBondContact O-N 3.01Å; T370-E372 PolarHBondContact O-N 2.73Å; E372-K379 IonicContact OE1-NZ 3.95Å; E372-K379 IonicContact OE2-NZ 2.68Å; E372-K379 PolarHBondContact OE2-NZ 2.52Å; E372-Y383 WeakPolarHBondContact OE1-CE2 3.37Å; E372-Y383 PolarHBondContact OE1-OH 2.85Å; E372-F394 HydrophobicContact CB-CE2 4.11Å; E372-F394 HydrophobicContact CB-CZ 4.42Å; E372-F394 HydrophobicContact CG-CD2 4.48Å; E372-F394 HydrophobicContact CG-CE1 4.29Å; E372-F394 HydrophobicContact CG-CE2 3.78Å; E372-F394 HydrophobicContact CG-CZ 3.67Å; E372-V397 HydrophobicContact CB-CG2 4.34Å
373	V	98.4	Very high	94.6	Very high	4 Å²	4	23 Å²	23	2%	0.024	10%	0.102	C	C	.	.	H	α-helix	trans	-88.2	-39.8	179.5	178	0	0	0	0	112	R369 T370 A371 V397 R400 I401 R404	R369-V373 VanDerWaalsContact O-CG2 3.25Å; R369-V373 WeakPolarHBondContact O-CG2 3.37Å; R369-V373 PolarHBondContact O-N 3.28Å; T370-V373 PolarHBondContact O-N 3.34Å; A371-V373 VanDerWaalsContact C-N 3.32Å; A371-V373 PolarHBondContact O-N 3.22Å; V373-V397 HydrophobicContact CG2-CB 3.63Å; V373-V397 HydrophobicContact CG2-CG1 3.99Å; V373-V397 HydrophobicContact CG2-CG2 4.2Å; V373-R400 HydrophobicContact CB-CB 4.5Å; V373-R400 HydrophobicContact CG1-CB 3.92Å; V373-R400 HydrophobicContact CG2-CB 3.71Å; V373-I401 HydrophobicContact CG2-CG1 4.31Å; V373-R404 WeakPolarHBondContact O-CD 3.47Å; V373-R404 PolarHBondContact O-NH1 3.48Å
374	W	98.5	Very high	94.1	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-115.3	-20.8	-162.2	-64.1	104.5	0	0	0	115.1	E323 F326 R327 M330 T370 R404 C409 F412	E323-W374 PolarHBondContact OE1-NE1 2.99Å; E323-W374 VanDerWaalsContact OE1-NE1 3.12Å; F326-W374 HydrophobicContact CB-CB 4Å; F326-W374 HydrophobicContact CB-CD2 4.31Å; F326-W374 HydrophobicContact CB-CE3 4.5Å; F326-W374 HydrophobicContact CB-CG 4.08Å; F326-W374 HydrophobicContact CD2-CB 3.79Å; F326-W374 HydrophobicContact CD2-CG 4.44Å; F326-W374 HydrophobicContact CG-CB 4.36Å; R327-W374 HydrophobicContact CB-CH2 3.54Å; R327-W374 HydrophobicContact CB-CZ2 3.46Å; R327-W374 VanDerWaalsContact CB-CZ2 3.46Å; R327-W374 HydrophobicContact CB-CZ3 4.08Å; R327-W374 HydrophobicContact CG-CH2 3.52Å; R327-W374 HydrophobicContact CG-CZ2 3.66Å; R327-W374 HydrophobicContact CG-CZ3 4.37Å; M330-W374 HydrophobicContact CB-CE3 4.5Å; M330-W374 HydrophobicContact CB-CZ3 4.34Å; M330-W374 HydrophobicContact CE-CE3 3.96Å; M330-W374 WeakPolarHBondContact CE-O 3.39Å; M330-W374 HydrophobicContact SD-CE3 3.89Å; T370-W374 WeakPolarHBondContact O-CB 3.37Å; T370-W374 PolarHBondContact O-N 3.08Å; W374-R404 HydrophobicContact CE3-CG 4.35Å; W374-R404 HydrophobicContact CH2-CB 4.12Å; W374-R404 HydrophobicContact CH2-CG 4.01Å; W374-R404 HydrophobicContact CZ3-CB 4.37Å; W374-R404 HydrophobicContact CZ3-CG 3.75Å; W374-C409 HydrophobicContact CZ3-CB 4.32Å; W374-F412 WeakPolarHBondContact O-CB 3.29Å; W374-F412 VanDerWaalsContact O-CD2 3.26Å; W374-F412 WeakPolarHBondContact O-CD2 3.33Å
375	M	97.4	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.			trans	-94.6	3.8	-171.7	-64.8	177.8	69.1	0	0	115	W263 L265 F326 A371 E377 Y378 K379 F412	W263-M375 HydrophobicContact CE3-CE 3.93Å; W263-M375 HydrophobicContact CZ3-CE 3.89Å; L265-M375 HydrophobicContact CD1-SD 3.97Å; L265-M375 HydrophobicContact CD2-SD 3.96Å; L265-M375 HydrophobicContact CG-SD 4.22Å; F326-M375 HydrophobicContact CE2-CG 4.11Å; F326-M375 HydrophobicContact CE2-SD 4.48Å; A371-M375 HydrophobicContact CB-CG 4.42Å; A371-M375 HydrophobicContact CB-SD 3.67Å; A371-M375 WeakPolarHBondContact O-CB 3.49Å; A371-M375 PolarHBondContact O-N 3.49Å; A371-M375 VanDerWaalsContact O-N 3.09Å; M375-E377 PolarHBondContact O-N 2.93Å; M375-Y378 WeakPolarHBondContact O-CA 3.41Å; M375-Y378 VanDerWaalsContact O-CB 3.25Å; M375-Y378 WeakPolarHBondContact O-CB 3.27Å; M375-Y378 PolarHBondContact O-N 3.45Å; M375-K379 HydrophobicContact CB-CB 4.02Å; M375-K379 PolarHBondContact O-N 2.98Å; M375-F412 HydrophobicContact CB-CD1 4.37Å; M375-F412 HydrophobicContact CB-CD2 4.45Å; M375-F412 HydrophobicContact CB-CE1 4.46Å; M375-F412 HydrophobicContact CB-CG 4.36Å; M375-F412 HydrophobicContact CE-CE1 4.24Å; M375-F412 HydrophobicContact CE-CZ 4.21Å; M375-F412 HydrophobicContact CG-CD2 4.2Å; M375-F412 HydrophobicContact CG-CE1 4.29Å; M375-F412 HydrophobicContact CG-CE2 3.89Å; M375-F412 HydrophobicContact CG-CZ 3.93Å
376	D	94.5	Very high	93.1	Very high	43 Å²	43	28 Å²	28	23%	0.23	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	48.1	-130.8	178.2	-59.5	-30.6	0	0	0	112.6	Y378 K379 R404 S411 F412	D376-Y378 VanDerWaalsContact C-N 3.26Å; D376-Y378 PolarHBondContact O-N 3.44Å; D376-K379 WeakPolarHBondContact O-CD 3.36Å; D376-K379 VanDerWaalsContact O-CG 3.27Å; D376-K379 WeakPolarHBondContact O-CG 3.2Å; D376-R404 VanDerWaalsContact CG-NH2 3.35Å; D376-R404 IonicContact OD1-CZ 3.22Å; D376-R404 VanDerWaalsContact OD1-CZ 3.22Å; D376-R404 IonicContact OD1-NH1 3.19Å; D376-R404 PolarHBondContact OD1-NH1 3.28Å; D376-R404 IonicContact OD1-NH2 2.91Å; D376-R404 PolarHBondContact OD1-NH2 3.02Å; D376-R404 IonicContact OD2-CZ 3.99Å; D376-R404 IonicContact OD2-NH2 2.99Å; D376-R404 PolarHBondContact OD2-NH2 3.12Å; D376-S411 WeakPolarHBondContact OD2-CA 3.39Å; D376-S411 WeakPolarHBondContact OD2-CB 3.4Å; D376-F412 HydrophobicContact CB-CB 4.27Å; D376-F412 PolarHBondContact OD2-N 3.32Å
377	E	88.8	Confident	92.4	Very high	101 Å²	101	31.9 Å²	31.9	47%	0.472	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-69.3	-20.9	174.3	68.3	-89.1	-148.5	0	0	113.5	M375 K379 Q380	M375-E377 PolarHBondContact O-N 2.93Å; E377-K379 PolarHBondContact O-N 2.94Å; E377-Q380 WeakPolarHBondContact O-CG 2.95Å; E377-Q380 PolarHBondContact O-N 2.96Å
378	Y	90.3	Very high	92	Very high	21 Å²	21	35.4 Å²	35.4	8%	0.082	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-74.4	-10.6	-177.2	-59.5	-97	0	0	0	113.2	W263 M375 D376 Q380 Y381 F412 R413 L416 I425	W263-Y378 HydrophobicContact CH2-CD1 4.02Å; M375-Y378 WeakPolarHBondContact O-CA 3.41Å; M375-Y378 VanDerWaalsContact O-CB 3.25Å; M375-Y378 WeakPolarHBondContact O-CB 3.27Å; M375-Y378 PolarHBondContact O-N 3.45Å; D376-Y378 VanDerWaalsContact C-N 3.26Å; D376-Y378 PolarHBondContact O-N 3.44Å; Y378-Q380 PolarHBondContact O-N 2.96Å; Y378-Q380 VanDerWaalsContact O-N 3.09Å; Y378-Y381 HydrophobicContact CD1-CD2 4.12Å; Y378-Y381 AromaticContact CD1-CE2 3.82Å; Y378-Y381 HydrophobicContact CD1-CE2 3.82Å; Y378-Y381 WeakPolarHBondContact O-CD2 3.48Å; Y378-Y381 PolarHBondContact O-N 2.75Å; Y378-F412 HydrophobicContact CD2-CB 4.26Å; Y378-F412 AromaticContact CD2-CD1 3.77Å; Y378-F412 HydrophobicContact CD2-CD1 3.77Å; Y378-F412 AromaticContact CG-CD1 3.76Å; Y378-F412 HydrophobicContact CG-CD1 3.76Å; Y378-F412 HydrophobicContact CG-CE1 4.32Å; Y378-R413 HydrophobicContact CE2-CB 3.93Å; Y378-L416 HydrophobicContact CD1-CD1 3.58Å; Y378-L416 HydrophobicContact CD2-CD1 4.41Å; Y378-L416 HydrophobicContact CE1-CD1 3.49Å; Y378-L416 VanDerWaalsContact CE1-CD1 3.49Å; Y378-L416 HydrophobicContact CE2-CD1 4.35Å; Y378-L416 HydrophobicContact CG-CD1 4.06Å; Y378-I425 HydrophobicContact CD1-CD1 4.44Å; Y378-I425 HydrophobicContact CE1-CD1 3.72Å; Y378-I425 HydrophobicContact CE1-CG1 4.31Å
379	K	92.4	Very high	91.6	Very high	66 Å²	66	35 Å²	35	29%	0.287	18%	0.183	S	C	.	.	H	α-helix	trans	-57.6	-21	171.7	71.8	-171.4	174.9	-179.2	0	113.2	A371 E372 M375 D376 E377 Y381 Y382 Y383	A371-K379 HydrophobicContact CB-CB 4.21Å; E372-K379 IonicContact OE1-NZ 3.95Å; E372-K379 IonicContact OE2-NZ 2.68Å; E372-K379 PolarHBondContact OE2-NZ 2.52Å; M375-K379 HydrophobicContact CB-CB 4.02Å; M375-K379 PolarHBondContact O-N 2.98Å; D376-K379 WeakPolarHBondContact O-CD 3.36Å; D376-K379 VanDerWaalsContact O-CG 3.27Å; D376-K379 WeakPolarHBondContact O-CG 3.2Å; E377-K379 PolarHBondContact O-N 2.94Å; K379-Y381 VanDerWaalsContact C-N 3.26Å; K379-Y381 PolarHBondContact O-N 3.35Å; K379-Y382 WeakPolarHBondContact O-CB 2.89Å; K379-Y382 PolarHBondContact O-N 2.96Å; K379-Y382 VanDerWaalsContact O-N 3.15Å; K379-Y383 HydrophobicContact CB-CE2 4.44Å; K379-Y383 HydrophobicContact CG-CE2 4.27Å; K379-Y383 WeakPolarHBondContact O-CD2 3.39Å; K379-Y383 PolarHBondContact O-N 3.44Å; K379-Y383 VanDerWaalsContact O-N 3.14Å
380	Q	86.8	Confident	91.1	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-56.6	-40.5	172.7	70.3	-172.1	-2.5	0	0	112.1	E377 Y378 Y382 Y383 E384 H478	E377-Q380 WeakPolarHBondContact O-CG 2.95Å; E377-Q380 PolarHBondContact O-N 2.96Å; Y378-Q380 PolarHBondContact O-N 2.96Å; Y378-Q380 VanDerWaalsContact O-N 3.09Å; Q380-Y382 VanDerWaalsContact C-N 3.28Å; Q380-Y382 PolarHBondContact O-N 3.31Å; Q380-Y383 PolarHBondContact O-N 3.4Å; Q380-Y383 VanDerWaalsContact O-N 3.13Å; Q380-E384 WeakPolarHBondContact O-CG 3.4Å; Q380-E384 PolarHBondContact O-N 3.16Å; Q380-H478 PolarHBondContact NE2-NE2 2.86Å; Q380-H478 VanDerWaalsContact NE2-NE2 3.15Å
381	Y	87.8	Confident	90.4	Very high	20 Å²	20	44 Å²	44	8%	0.078	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-29.5	179.1	-59.2	-61.8	0	0	0	112.3	W263 Y378 K379 A385 I425 P426	W263-Y381 HydrophobicContact CD2-CG 4.33Å; W263-Y381 VanDerWaalsContact CE3-CB 3.42Å; W263-Y381 HydrophobicContact CE3-CD2 4.16Å; W263-Y381 HydrophobicContact CE3-CG 4.16Å; W263-Y381 HydrophobicContact CH2-CD2 4.05Å; W263-Y381 AromaticContact CZ3-CD2 3.88Å; W263-Y381 HydrophobicContact CZ3-CD2 3.88Å; W263-Y381 HydrophobicContact CZ3-CG 4.35Å; Y378-Y381 HydrophobicContact CD1-CD2 4.12Å; Y378-Y381 AromaticContact CD1-CE2 3.82Å; Y378-Y381 HydrophobicContact CD1-CE2 3.82Å; Y378-Y381 WeakPolarHBondContact O-CD2 3.48Å; Y378-Y381 PolarHBondContact O-N 2.75Å; K379-Y381 VanDerWaalsContact C-N 3.26Å; K379-Y381 PolarHBondContact O-N 3.35Å; Y381-A385 VanDerWaalsContact O-CB 3.25Å; Y381-A385 WeakPolarHBondContact O-CB 3.38Å; Y381-A385 PolarHBondContact O-N 2.94Å; Y381-I425 HydrophobicContact CD2-CG2 4.31Å; Y381-I425 HydrophobicContact CE1-CG2 4.01Å; Y381-I425 HydrophobicContact CE2-CG2 3.55Å; Y381-I425 WeakPolarHBondContact OH-CG2 3.18Å; Y381-P426 HydrophobicContact CD1-CB 4.43Å; Y381-P426 HydrophobicContact CD1-CG 4Å; Y381-P426 HydrophobicContact CG-CG 4.5Å
382	Y	92.8	Very high	90	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-45.5	170.2	163.8	-94.5	0	0	0	112	W263 L265 T367 K368 A371 K379 Q380 E384 A385 R386 A389	W263-Y382 WeakPolarHBondContact O-CA 3.34Å; L265-Y382 HydrophobicContact CB-CD2 4.25Å; L265-Y382 HydrophobicContact CB-CE2 4.32Å; L265-Y382 HydrophobicContact CD1-CD2 3.76Å; L265-Y382 HydrophobicContact CD1-CE2 3.94Å; L265-Y382 HydrophobicContact CD1-CG 4.46Å; L265-Y382 HydrophobicContact CG-CD2 3.8Å; L265-Y382 HydrophobicContact CG-CE2 4.23Å; T367-Y382 PolarHBondContact OG1-OH 2.95Å; K368-Y382 HydrophobicContact CG-CE1 3.84Å; K368-Y382 WeakPolarHBondContact CG-OH 3.39Å; A371-Y382 HydrophobicContact CB-CD1 3.89Å; A371-Y382 HydrophobicContact CB-CE1 4.36Å; A371-Y382 HydrophobicContact CB-CG 4.12Å; K379-Y382 WeakPolarHBondContact O-CB 2.89Å; K379-Y382 PolarHBondContact O-N 2.96Å; K379-Y382 VanDerWaalsContact O-N 3.15Å; Q380-Y382 VanDerWaalsContact C-N 3.28Å; Q380-Y382 PolarHBondContact O-N 3.31Å; Y382-E384 VanDerWaalsContact C-N 3.29Å; Y382-E384 PolarHBondContact O-N 2.73Å; Y382-A385 PolarHBondContact O-N 3.31Å; Y382-R386 HydrophobicContact CE2-CB 4.48Å; Y382-R386 WeakPolarHBondContact O-CB 3.44Å; Y382-R386 PolarHBondContact O-N 3.34Å; Y382-A389 HydrophobicContact CE1-CB 3.84Å
383	Y	86.8	Confident	89.8	Confident	38 Å²	38	50.6 Å²	50.6	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-31.3	177.5	-70.4	-59	0	0	0	113.1	K368 E372 K379 Q380 R386 P387 A389 I390	K368-Y383 HydrophobicContact CD-CE1 4.36Å; K368-Y383 VanDerWaalsContact CE-OH 3.25Å; K368-Y383 WeakPolarHBondContact CE-OH 3.49Å; K368-Y383 HydrophobicContact CG-CE1 4.27Å; E372-Y383 WeakPolarHBondContact OE1-CE2 3.37Å; E372-Y383 PolarHBondContact OE1-OH 2.85Å; K379-Y383 HydrophobicContact CB-CE2 4.44Å; K379-Y383 HydrophobicContact CG-CE2 4.27Å; K379-Y383 WeakPolarHBondContact O-CD2 3.39Å; K379-Y383 PolarHBondContact O-N 3.44Å; K379-Y383 VanDerWaalsContact O-N 3.14Å; Q380-Y383 PolarHBondContact O-N 3.4Å; Q380-Y383 VanDerWaalsContact O-N 3.13Å; Y383-R386 CarbonylContact O-C 3.5Å; Y383-P387 VanDerWaalsContact O-CA 3.25Å; Y383-P387 WeakPolarHBondContact O-CA 3.26Å; Y383-P387 VanDerWaalsContact O-N 3.13Å; Y383-A389 HydrophobicContact CD1-CB 4.05Å; Y383-A389 HydrophobicContact CE1-CB 4.08Å; Y383-I390 HydrophobicContact CD1-CG1 4Å; Y383-I390 HydrophobicContact CG-CG1 4.4Å
384	E	84.8	Confident	89.6	Confident	78 Å²	78	52.6 Å²	52.6	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-71	-44.1	173.4	-72.6	166.4	-161.8	0	0	112.2	Q380 Y382 R386 P387 K428	Q380-E384 WeakPolarHBondContact O-CG 3.4Å; Q380-E384 PolarHBondContact O-N 3.16Å; Y382-E384 VanDerWaalsContact C-N 3.29Å; Y382-E384 PolarHBondContact O-N 2.73Å; E384-R386 VanDerWaalsContact C-N 3.25Å; E384-R386 PolarHBondContact O-N 3.02Å; E384-P387 WeakPolarHBondContact O-CD 3.39Å; E384-P387 WeakPolarHBondContact O-CG 3.37Å; E384-K428 WeakPolarHBondContact OE1-CE 3.39Å; E384-K428 IonicContact OE1-NZ 3.81Å; E384-K428 PolarHBondContact OE1-NZ 2.62Å; E384-K428 WeakPolarHBondContact OE2-CE 3.43Å; E384-K428 IonicContact OE2-NZ 2.66Å
385	A	84	Confident	89.5	Confident	53 Å²	53	54.3 Å²	54.3	44%	0.438	32%	0.319	S	S	.	.	H	α-helix	trans	-70.3	-24	176.6	0	0	0	0	0	112.5	W263 Y381 Y382	W263-A385 HydrophobicContact CB-CB 4.06Å; Y381-A385 VanDerWaalsContact O-CB 3.25Å; Y381-A385 WeakPolarHBondContact O-CB 3.38Å; Y381-A385 PolarHBondContact O-N 2.94Å; Y382-A385 PolarHBondContact O-N 3.31Å
386	R	87.5	Confident	89.4	Confident	54 Å²	54	57.8 Å²	57.8	20%	0.204	34%	0.343	C	S	.	.			trans	-135.2	72.8	178.5	-163.7	173.2	-67.5	-118	-2.2	111.8	S264 Y382 Y383 E384 S388 A389	S264-R386 PolarHBondContact O-NE 2.97Å; S264-R386 PolarHBondContact O-NH2 2.89Å; S264-R386 PolarHBondContact OG-NH2 3.49Å; Y382-R386 HydrophobicContact CE2-CB 4.48Å; Y382-R386 WeakPolarHBondContact O-CB 3.44Å; Y382-R386 PolarHBondContact O-N 3.34Å; Y383-R386 CarbonylContact O-C 3.5Å; E384-R386 VanDerWaalsContact C-N 3.25Å; E384-R386 PolarHBondContact O-N 3.02Å; R386-S388 PolarHBondContact O-N 3.28Å; R386-S388 VanDerWaalsContact O-N 3.08Å; R386-A389 HydrophobicContact CG-CB 4.33Å; R386-A389 VanDerWaalsContact O-CB 3.25Å; R386-A389 WeakPolarHBondContact O-CB 3.36Å; R386-A389 PolarHBondContact O-N 3.01Å
387	P	82.3	Confident	89.6	Confident	82 Å²	82	56.4 Å²	56.4	53%	0.532	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-59.9	-26.7	-177.5	-25.3	35.8	0	0	0	113.8	Y383 E384 A389 I390	Y383-P387 VanDerWaalsContact O-CA 3.25Å; Y383-P387 WeakPolarHBondContact O-CA 3.26Å; Y383-P387 VanDerWaalsContact O-N 3.13Å; E384-P387 WeakPolarHBondContact O-CD 3.39Å; E384-P387 WeakPolarHBondContact O-CG 3.37Å; P387-A389 PolarHBondContact O-N 2.83Å; P387-A389 VanDerWaalsContact O-N 3.12Å; P387-I390 WeakPolarHBondContact O-CB 3.33Å; P387-I390 WeakPolarHBondContact O-CG1 3.37Å; P387-I390 PolarHBondContact O-N 3.47Å
388	S	88.4	Confident	90	Very high	74 Å²	74	54.3 Å²	54.3	52%	0.517	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-62.5	-15.3	175.3	58	0	0	0	0	114.2	R386 K392	R386-S388 PolarHBondContact O-N 3.28Å; R386-S388 VanDerWaalsContact O-N 3.08Å; S388-K392 VanDerWaalsContact O-CG 3.29Å; S388-K392 WeakPolarHBondContact O-CG 3.34Å
389	A	90.8	Very high	90.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-77.2	-21.2	173.4	0	0	0	0	0	112.8	I364 K368 Y382 Y383 R386 P387 G391 K392	I364-A389 HydrophobicContact CG2-CB 3.84Å; K368-A389 HydrophobicContact CD-CB 4.04Å; K368-A389 WeakPolarHBondContact CD-O 3.49Å; K368-A389 WeakPolarHBondContact CE-O 3.35Å; K368-A389 HydrophobicContact CG-CB 4.08Å; K368-A389 PolarHBondContact NZ-O 3.2Å; Y382-A389 HydrophobicContact CE1-CB 3.84Å; Y383-A389 HydrophobicContact CD1-CB 4.05Å; Y383-A389 HydrophobicContact CE1-CB 4.08Å; R386-A389 HydrophobicContact CG-CB 4.33Å; R386-A389 VanDerWaalsContact O-CB 3.25Å; R386-A389 WeakPolarHBondContact O-CB 3.36Å; R386-A389 PolarHBondContact O-N 3.01Å; P387-A389 PolarHBondContact O-N 2.83Å; P387-A389 VanDerWaalsContact O-N 3.12Å; A389-G391 PolarHBondContact O-N 3.17Å; A389-K392 PolarHBondContact O-N 2.56Å
390	I	86.6	Confident	90.5	Very high	111 Å²	111	55.8 Å²	55.8	57%	0.569	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	134.2	-179.2	-59.3	172	0	0	0	109.4	Y383 P387 K392	Y383-I390 HydrophobicContact CD1-CG1 4Å; Y383-I390 HydrophobicContact CG-CG1 4.4Å; P387-I390 WeakPolarHBondContact O-CB 3.33Å; P387-I390 WeakPolarHBondContact O-CG1 3.37Å; P387-I390 PolarHBondContact O-N 3.47Å; I390-K392 PolarHBondContact O-N 2.83Å; I390-K392 VanDerWaalsContact O-N 3.15Å
391	G	83.8	Confident	91	Very high	79 Å²	79	56 Å²	56	81%	0.814	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-7.8	-179.6	0	0	0	0	0	116.1	A389	A389-G391 PolarHBondContact O-N 3.17Å
392	K	90.3	Very high	91.5	Very high	98 Å²	98	61.7 Å²	61.7	43%	0.426	38%	0.378	S	S	.	.			trans	-76.1	137.7	175.4	-60.7	-60.5	-177.6	-178.3	0	112	L361 I364 K368 S388 A389 I390	L361-K392 HydrophobicContact CD2-CD 4.09Å; I364-K392 HydrophobicContact CG2-CB 4.2Å; I364-K392 HydrophobicContact CG2-CG 4.37Å; K368-K392 HydrophobicContact CD-CB 4.46Å; K368-K392 PolarHBondContact NZ-O 2.83Å; S388-K392 VanDerWaalsContact O-CG 3.29Å; S388-K392 WeakPolarHBondContact O-CG 3.34Å; A389-K392 PolarHBondContact O-N 2.56Å; I390-K392 PolarHBondContact O-N 2.83Å; I390-K392 VanDerWaalsContact O-N 3.15Å
393	A	92.6	Very high	91.6	Very high	84 Å²	84	63.2 Å²	63.2	69%	0.694	39%	0.385	S	S	*	.			trans	-70.5	144.4	176.9	0	0	0	0	0	111.2
394	F	94.9	Very high	92.2	Very high	46 Å²	46	63 Å²	63	20%	0.202	38%	0.384	C	S	.	.			trans	-135.3	8	177.4	60.6	-87.1	0	0	0	113.4	K368 R369 E372 V397	K368-F394 HydrophobicContact CB-CB 3.88Å; K368-F394 HydrophobicContact CB-CD1 4.34Å; K368-F394 HydrophobicContact CB-CG 4.09Å; K368-F394 HydrophobicContact CD-CB 4.44Å; K368-F394 HydrophobicContact CD-CD1 4.2Å; R369-F394 WeakPolarHBondContact CD-O 3.1Å; R369-F394 HydrophobicContact CG-CB 4.06Å; R369-F394 HydrophobicContact CG-CD2 4.15Å; R369-F394 WeakPolarHBondContact CG-O 3.26Å; R369-F394 PolarHBondContact NH1-O 2.66Å; E372-F394 HydrophobicContact CB-CE2 4.11Å; E372-F394 HydrophobicContact CB-CZ 4.42Å; E372-F394 HydrophobicContact CG-CD2 4.48Å; E372-F394 HydrophobicContact CG-CE1 4.29Å; E372-F394 HydrophobicContact CG-CE2 3.78Å; E372-F394 HydrophobicContact CG-CZ 3.67Å; F394-V397 HydrophobicContact CD2-CG1 3.93Å; F394-V397 HydrophobicContact CE2-CG1 3.92Å; F394-V397 HydrophobicContact CE2-CG2 4.12Å
395	G	95.5	Very high	92.8	Very high	38 Å²	38	66.9 Å²	66.9	39%	0.392	40%	0.4	S	S	.	.			trans	72.5	-178.4	-176.2	0	0	0	0	0	113.4
396	S	96.5	Very high	93.4	Very high	72 Å²	72	73.3 Å²	73.3	50%	0.503	42%	0.418	S	S	.	.			trans	-77	137.3	176.9	-179.1	0	0	0	0	110.9	Q313 R369 A398	Q313-S396 PolarHBondContact OE1-O 3.16Å; Q313-S396 VanDerWaalsContact OE1-O 3.06Å; R369-S396 PolarHBondContact NH1-O 2.83Å; R369-S396 PolarHBondContact NH2-O 2.76Å; R369-S396 VanDerWaalsContact NH2-O 3.13Å; S396-A398 PolarHBondContact OG-N 3.16Å
397	V	97.7	Very high	93.8	Very high	14 Å²	14	72.5 Å²	72.5	9%	0.085	42%	0.417	C	S	.	.			trans	-113.4	9.7	173.4	-65.4	0	0	0	0	112.4	R369 E372 V373 F394 T399 R400 I401	R369-V397 HydrophobicContact CB-CG1 4.15Å; R369-V397 HydrophobicContact CG-CG1 4.1Å; E372-V397 HydrophobicContact CB-CG2 4.34Å; V373-V397 HydrophobicContact CG2-CB 3.63Å; V373-V397 HydrophobicContact CG2-CG1 3.99Å; V373-V397 HydrophobicContact CG2-CG2 4.2Å; F394-V397 HydrophobicContact CD2-CG1 3.93Å; F394-V397 HydrophobicContact CE2-CG1 3.92Å; F394-V397 HydrophobicContact CE2-CG2 4.12Å; V397-T399 VanDerWaalsContact C-N 3.31Å; V397-T399 PolarHBondContact O-N 2.9Å; V397-R400 PolarHBondContact O-N 3.11Å; V397-R400 VanDerWaalsContact O-N 3.08Å; V397-I401 HydrophobicContact CG2-CD1 3.79Å; V397-I401 HydrophobicContact CG2-CG1 4.34Å; V397-I401 WeakPolarHBondContact O-CG1 3.29Å; V397-I401 PolarHBondContact O-N 3.31Å
398	A	97.4	Very high	94.5	Very high	57 Å²	57	75 Å²	75	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-55.8	-43.8	-174.4	0	0	0	0	0	112.7	S396 R400 I401 E402	S396-A398 PolarHBondContact OG-N 3.16Å; A398-R400 VanDerWaalsContact C-N 3.31Å; A398-R400 PolarHBondContact O-N 3.42Å; A398-I401 PolarHBondContact O-N 3.13Å; A398-E402 WeakPolarHBondContact O-CB 3.4Å; A398-E402 PolarHBondContact O-N 3.44Å
399	T	96.5	Very high	95	Very high	75 Å²	75	72.5 Å²	72.5	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-36.3	179.5	60.6	0	0	0	0	112.4	V397 Q403	V397-T399 VanDerWaalsContact C-N 3.31Å; V397-T399 PolarHBondContact O-N 2.9Å; T399-Q403 WeakPolarHBondContact O-CB 3.36Å; T399-Q403 PolarHBondContact O-N 3.2Å
400	R	97.6	Very high	95.4	Very high	43 Å²	43	77.8 Å²	77.8	16%	0.162	43%	0.431	C	S	.	.	H	α-helix	trans	-72.4	-39.5	177.6	-63.9	-65.5	90.9	165.2	4.7	111.4	G308 D311 V373 V397 A398 Q403 R404	G308-R400 PolarHBondContact O-NH1 2.96Å; D311-R400 HydrophobicContact CB-CG 4.49Å; V373-R400 HydrophobicContact CB-CB 4.5Å; V373-R400 HydrophobicContact CG1-CB 3.92Å; V373-R400 HydrophobicContact CG2-CB 3.71Å; V397-R400 PolarHBondContact O-N 3.11Å; V397-R400 VanDerWaalsContact O-N 3.08Å; A398-R400 VanDerWaalsContact C-N 3.31Å; A398-R400 PolarHBondContact O-N 3.42Å; R400-Q403 VanDerWaalsContact NH2-OE1 3.17Å; R400-Q403 PolarHBondContact O-N 3.03Å; R400-R404 WeakPolarHBondContact O-CB 3.3Å; R400-R404 PolarHBondContact O-N 3.19Å
401	I	97.4	Very high	95.9	Very high	61 Å²	61	74.9 Å²	74.9	31%	0.313	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-45.9	174.2	-66.9	173.2	0	0	0	110.9	V373 V397 A398 Q403 R404 K405	V373-I401 HydrophobicContact CG2-CG1 4.31Å; V397-I401 HydrophobicContact CG2-CD1 3.79Å; V397-I401 HydrophobicContact CG2-CG1 4.34Å; V397-I401 WeakPolarHBondContact O-CG1 3.29Å; V397-I401 PolarHBondContact O-N 3.31Å; A398-I401 PolarHBondContact O-N 3.13Å; I401-Q403 VanDerWaalsContact C-N 3.31Å; I401-Q403 PolarHBondContact O-N 3.45Å; I401-R404 PolarHBondContact O-N 2.89Å; I401-K405 HydrophobicContact CG2-CD 4.46Å; I401-K405 WeakPolarHBondContact O-CG 3.44Å; I401-K405 PolarHBondContact O-N 3.03Å
402	E	97.3	Very high	96.6	Very high	138 Å²	138	71.1 Å²	71.1	65%	0.645	38%	0.382	S	S	*	.	H	α-helix	trans	-61	-42.9	177.1	-176.7	174.6	-164.1	0	0	111.4	A398 R404 K405 K406	A398-E402 WeakPolarHBondContact O-CB 3.4Å; A398-E402 PolarHBondContact O-N 3.44Å; E402-R404 PolarHBondContact O-N 2.86Å; E402-K405 WeakPolarHBondContact O-CB 3.41Å; E402-K405 PolarHBondContact O-N 3.14Å; E402-K406 WeakPolarHBondContact O-CB 3.34Å; E402-K406 PolarHBondContact O-N 2.84Å
403	Q	95.9	Very high	96.8	Very high	32 Å²	32	70 Å²	70	15%	0.15	38%	0.375	C	S	.	.	H	α-helix	trans	-62.4	-44.7	176.4	-160.1	-167.3	-15.7	0	0	112.3	L307 G308 T399 R400 I401 K405 K406 M407	L307-Q403 PolarHBondContact O-NE2 3.13Å; G308-Q403 VanDerWaalsContact CA-NE2 3.25Å; T399-Q403 WeakPolarHBondContact O-CB 3.36Å; T399-Q403 PolarHBondContact O-N 3.2Å; R400-Q403 VanDerWaalsContact NH2-OE1 3.17Å; R400-Q403 PolarHBondContact O-N 3.03Å; I401-Q403 VanDerWaalsContact C-N 3.31Å; I401-Q403 PolarHBondContact O-N 3.45Å; Q403-K405 VanDerWaalsContact C-N 3.26Å; Q403-K405 PolarHBondContact O-N 3.22Å; Q403-K406 PolarHBondContact O-N 2.85Å; Q403-M407 HydrophobicContact CG-CE 3.87Å; Q403-M407 HydrophobicContact CG-SD 4.37Å; Q403-M407 PolarHBondContact O-N 2.86Å
404	R	97.9	Very high	97	Very high	34 Å²	34	69.6 Å²	69.6	13%	0.128	36%	0.356	C	S	.	.	H	α-helix	trans	-56.8	-41.1	175.1	-177.7	179.8	173.5	-156.5	-6.4	111.6	M330 V373 W374 D376 R400 I401 E402 N408 C409 K410	M330-R404 VanDerWaalsContact CE-NH2 3.26Å; V373-R404 WeakPolarHBondContact O-CD 3.47Å; V373-R404 PolarHBondContact O-NH1 3.48Å; W374-R404 HydrophobicContact CE3-CG 4.35Å; W374-R404 HydrophobicContact CH2-CB 4.12Å; W374-R404 HydrophobicContact CH2-CG 4.01Å; W374-R404 HydrophobicContact CZ3-CB 4.37Å; W374-R404 HydrophobicContact CZ3-CG 3.75Å; D376-R404 VanDerWaalsContact CG-NH2 3.35Å; D376-R404 IonicContact OD1-CZ 3.22Å; D376-R404 VanDerWaalsContact OD1-CZ 3.22Å; D376-R404 IonicContact OD1-NH1 3.19Å; D376-R404 PolarHBondContact OD1-NH1 3.28Å; D376-R404 IonicContact OD1-NH2 2.91Å; D376-R404 PolarHBondContact OD1-NH2 3.02Å; D376-R404 IonicContact OD2-CZ 3.99Å; D376-R404 IonicContact OD2-NH2 2.99Å; D376-R404 PolarHBondContact OD2-NH2 3.12Å; R400-R404 WeakPolarHBondContact O-CB 3.3Å; R400-R404 PolarHBondContact O-N 3.19Å; I401-R404 PolarHBondContact O-N 2.89Å; E402-R404 PolarHBondContact O-N 2.86Å; R404-N408 PolarHBondContact O-N 3Å; R404-C409 HydrophobicContact CG-CB 3.87Å; R404-C409 PolarHBondContact O-N 3.47Å; R404-C409 PolarHBondContact O-SG 3.19Å; R404-K410 PolarHBondContact NH2-O 2.72Å
405	K	96.9	Very high	97.2	Very high	160 Å²	160	67.4 Å²	67.4	70%	0.696	35%	0.346	S	S	*	.	H	α-helix	trans	-65.7	-46.8	174.9	-70.5	175.4	179.9	-179.4	0	111.9	I401 E402 Q403 M407 N408	I401-K405 HydrophobicContact CG2-CD 4.46Å; I401-K405 WeakPolarHBondContact O-CG 3.44Å; I401-K405 PolarHBondContact O-N 3.03Å; E402-K405 WeakPolarHBondContact O-CB 3.41Å; E402-K405 PolarHBondContact O-N 3.14Å; Q403-K405 VanDerWaalsContact C-N 3.26Å; Q403-K405 PolarHBondContact O-N 3.22Å; K405-M407 VanDerWaalsContact C-N 3.27Å; K405-M407 PolarHBondContact O-N 3.42Å; K405-N408 PolarHBondContact O-N 3.07Å
406	K	97.1	Very high	97.2	Very high	187 Å²	187	66.1 Å²	66.1	81%	0.813	33%	0.33	S	S	*	.	H	α-helix	trans	-59.7	-36.8	-179.7	-175.4	177.8	178.7	178.5	0	112.5	E402 Q403 N408	E402-K406 WeakPolarHBondContact O-CB 3.34Å; E402-K406 PolarHBondContact O-N 2.84Å; Q403-K406 PolarHBondContact O-N 2.85Å; K406-N408 VanDerWaalsContact C-N 3.26Å; K406-N408 PolarHBondContact O-N 2.89Å
407	M	97	Very high	97.1	Very high	37 Å²	37	67.2 Å²	67.2	18%	0.182	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	1.2	177.7	-65.8	-177.1	-57.8	0	0	113.4	Q403 K405 C409	Q403-M407 HydrophobicContact CG-CE 3.87Å; Q403-M407 HydrophobicContact CG-SD 4.37Å; Q403-M407 PolarHBondContact O-N 2.86Å; K405-M407 VanDerWaalsContact C-N 3.27Å; K405-M407 PolarHBondContact O-N 3.42Å; M407-C409 VanDerWaalsContact CB-SG 3.55Å; M407-C409 PolarHBondContact O-N 2.72Å
408	N	97.4	Very high	97	Very high	136 Å²	136	70.5 Å²	70.5	73%	0.727	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	42.6	-178	-165.4	28.5	0	0	0	113.1	R404 K405 K406	R404-N408 PolarHBondContact O-N 3Å; K405-N408 PolarHBondContact O-N 3.07Å; K406-N408 VanDerWaalsContact C-N 3.26Å; K406-N408 PolarHBondContact O-N 2.89Å
409	C	98.4	Very high	97	Very high	20 Å²	20	68.4 Å²	68.4	14%	0.135	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-67	148.9	-176.5	-51.4	0	0	0	0	111.3	M330 C331 W374 R404 M407	M330-C409 HydrophobicContact CB-CB 4.33Å; M330-C409 CarbonylContact O-C 3.44Å; M330-C409 VanDerWaalsContact O-CA 3.22Å; M330-C409 WeakPolarHBondContact O-CA 3.44Å; M330-C409 WeakPolarHBondContact O-CB 3.29Å; C331-C409 HydrophobicContact CB-CB 4.08Å; C331-C409 WeakPolarHBondContact CB-SG 3.39Å; C331-C409 WeakPolarHBondContact SG-CB 3.28Å; C331-C409 CovalentContact SG-SG 2.04Å; C331-C409 PolarHBondContact SG-SG 3.19Å; W374-C409 HydrophobicContact CZ3-CB 4.32Å; R404-C409 HydrophobicContact CG-CB 3.87Å; R404-C409 PolarHBondContact O-N 3.47Å; R404-C409 PolarHBondContact O-SG 3.19Å; M407-C409 VanDerWaalsContact CB-SG 3.55Å; M407-C409 PolarHBondContact O-N 2.72Å
410	K	98.3	Very high	97.1	Very high	111 Å²	111	64.9 Å²	64.9	48%	0.483	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-62.9	165.5	175.6	-55	-59.9	-178.9	-173.9	0	111.8	M330 R404 W414	M330-K410 WeakPolarHBondContact CE-O 3.32Å; M330-K410 PolarHBondContact O-N 2.9Å; R404-K410 PolarHBondContact NH2-O 2.72Å; K410-W414 HydrophobicContact CB-CB 3.98Å; K410-W414 HydrophobicContact CB-CD2 3.67Å; K410-W414 HydrophobicContact CB-CE3 3.59Å; K410-W414 HydrophobicContact CB-CG 3.83Å; K410-W414 HydrophobicContact CB-CZ3 4.36Å; K410-W414 HydrophobicContact CG-CD2 3.75Å; K410-W414 HydrophobicContact CG-CE3 3.89Å; K410-W414 HydrophobicContact CG-CG 4.12Å; K410-W414 HydrophobicContact CG-CZ3 4.35Å
411	S	97.6	Very high	96.8	Very high	51 Å²	51	66.7 Å²	66.7	36%	0.357	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-77.9	160.6	175.2	61.7	0	0	0	0	111.9	D376 R413 W414 Y415	D376-S411 WeakPolarHBondContact OD2-CA 3.39Å; D376-S411 WeakPolarHBondContact OD2-CB 3.4Å; S411-R413 PolarHBondContact O-N 2.84Å; S411-W414 WeakPolarHBondContact O-CB 3.32Å; S411-W414 PolarHBondContact O-N 3.01Å; S411-W414 VanDerWaalsContact O-N 3.12Å; S411-W414 PolarHBondContact OG-N 2.87Å; S411-Y415 PolarHBondContact O-N 3.46Å; S411-Y415 VanDerWaalsContact O-N 3.16Å
412	F	97.9	Very high	96.6	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-29.8	172.7	-162.4	-108.7	0	0	0	111.7	F261 W263 F326 M330 W374 M375 D376 Y378 W414 Y415 L416	F261-F412 HydrophobicContact CZ-CZ 4.34Å; W263-F412 HydrophobicContact CH2-CE1 4.26Å; W263-F412 HydrophobicContact CZ3-CE1 4.05Å; F326-F412 HydrophobicContact CD1-CE2 4.31Å; F326-F412 HydrophobicContact CD2-CE2 4.16Å; F326-F412 HydrophobicContact CE1-CE2 4.13Å; F326-F412 AromaticContact CE2-CE2 3.96Å; F326-F412 HydrophobicContact CE2-CE2 3.96Å; F326-F412 HydrophobicContact CG-CE2 4.34Å; F326-F412 AromaticContact CZ-CE2 3.95Å; F326-F412 HydrophobicContact CZ-CE2 3.95Å; F326-F412 HydrophobicContact CZ-CZ 4.3Å; M330-F412 HydrophobicContact CE-CB 4.42Å; M330-F412 HydrophobicContact SD-CD2 4.18Å; W374-F412 WeakPolarHBondContact O-CB 3.29Å; W374-F412 VanDerWaalsContact O-CD2 3.26Å; W374-F412 WeakPolarHBondContact O-CD2 3.33Å; M375-F412 HydrophobicContact CB-CD1 4.37Å; M375-F412 HydrophobicContact CB-CD2 4.45Å; M375-F412 HydrophobicContact CB-CE1 4.46Å; M375-F412 HydrophobicContact CB-CG 4.36Å; M375-F412 HydrophobicContact CE-CE1 4.24Å; M375-F412 HydrophobicContact CE-CZ 4.21Å; M375-F412 HydrophobicContact CG-CD2 4.2Å; M375-F412 HydrophobicContact CG-CE1 4.29Å; M375-F412 HydrophobicContact CG-CE2 3.89Å; M375-F412 HydrophobicContact CG-CZ 3.93Å; D376-F412 HydrophobicContact CB-CB 4.27Å; D376-F412 PolarHBondContact OD2-N 3.32Å; Y378-F412 HydrophobicContact CD2-CB 4.26Å; Y378-F412 AromaticContact CD2-CD1 3.77Å; Y378-F412 HydrophobicContact CD2-CD1 3.77Å; Y378-F412 AromaticContact CG-CD1 3.76Å; Y378-F412 HydrophobicContact CG-CD1 3.76Å; Y378-F412 HydrophobicContact CG-CE1 4.32Å; F412-W414 VanDerWaalsContact C-N 3.34Å; F412-W414 PolarHBondContact O-N 3.2Å; F412-Y415 HydrophobicContact CD2-CD1 4.24Å; F412-Y415 HydrophobicContact CD2-CG 4.46Å; F412-Y415 AromaticContact CE2-CD1 3.83Å; F412-Y415 HydrophobicContact CE2-CD1 3.83Å; F412-Y415 HydrophobicContact CE2-CE1 4.25Å; F412-Y415 HydrophobicContact CE2-CG 4.41Å; F412-Y415 HydrophobicContact CZ-CD1 4.19Å; F412-Y415 HydrophobicContact CZ-CE1 4.48Å; F412-Y415 WeakPolarHBondContact O-CB 3.32Å; F412-Y415 PolarHBondContact O-N 3.45Å; F412-Y415 VanDerWaalsContact O-N 3.16Å; F412-L416 HydrophobicContact CD1-CD1 3.8Å; F412-L416 HydrophobicContact CD1-CG 4.03Å; F412-L416 HydrophobicContact CE1-CD1 3.83Å; F412-L416 HydrophobicContact CE1-CD2 3.92Å; F412-L416 HydrophobicContact CE1-CG 3.89Å; F412-L416 HydrophobicContact CZ-CD2 4.32Å; F412-L416 WeakPolarHBondContact O-CG 3.45Å; F412-L416 PolarHBondContact O-N 3.39Å
413	R	95.1	Very high	96.4	Very high	75 Å²	75	61.9 Å²	61.9	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-56.5	-47.9	169.4	179.6	175	178.7	167	4	111.7	Y378 S411 Y415 L416 E417 R509	Y378-R413 HydrophobicContact CE2-CB 3.93Å; S411-R413 PolarHBondContact O-N 2.84Å; R413-Y415 VanDerWaalsContact C-N 3.27Å; R413-Y415 PolarHBondContact O-N 3.19Å; R413-L416 PolarHBondContact O-N 3.46Å; R413-E417 HydrophobicContact CG-CG 4.43Å; R413-E417 WeakPolarHBondContact CG-OE1 3.29Å; R413-E417 IonicContact CZ-OE1 3.55Å; R413-E417 IonicContact NE-OE1 3.84Å; R413-E417 PolarHBondContact NE-OE1 3.18Å; R413-E417 IonicContact NE-OE2 3.81Å; R413-E417 IonicContact NH2-OE1 3.99Å; R413-E417 PolarHBondContact NH2-OE1 2.86Å; R413-E417 WeakPolarHBondContact O-CB 3.48Å; R413-E417 WeakPolarHBondContact O-CG 3.16Å; R413-E417 PolarHBondContact O-N 3.41Å; R413-R509 PolarHBondContact NH2-O 3.02Å
414	W	97.5	Very high	95.8	Very high	75 Å²	75	65.7 Å²	65.7	28%	0.284	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-40.9	176.3	175	90.6	0	0	0	111.1	W329 K410 S411 F412 E417 N418 V419	W329-W414 WeakPolarHBondContact O-CZ3 3.5Å; K410-W414 HydrophobicContact CB-CB 3.98Å; K410-W414 HydrophobicContact CB-CD2 3.67Å; K410-W414 HydrophobicContact CB-CE3 3.59Å; K410-W414 HydrophobicContact CB-CG 3.83Å; K410-W414 HydrophobicContact CB-CZ3 4.36Å; K410-W414 HydrophobicContact CG-CD2 3.75Å; K410-W414 HydrophobicContact CG-CE3 3.89Å; K410-W414 HydrophobicContact CG-CG 4.12Å; K410-W414 HydrophobicContact CG-CZ3 4.35Å; S411-W414 WeakPolarHBondContact O-CB 3.32Å; S411-W414 PolarHBondContact O-N 3.01Å; S411-W414 VanDerWaalsContact O-N 3.12Å; S411-W414 PolarHBondContact OG-N 2.87Å; F412-W414 VanDerWaalsContact C-N 3.34Å; F412-W414 PolarHBondContact O-N 3.2Å; W414-E417 PolarHBondContact O-N 3.49Å; W414-N418 HydrophobicContact CD2-CB 4.3Å; W414-N418 HydrophobicContact CZ2-CB 4.05Å; W414-N418 PolarHBondContact NE1-ND2 3.34Å; W414-N418 VanDerWaalsContact O-CB 3.3Å; W414-N418 WeakPolarHBondContact O-CB 3.38Å; W414-N418 PolarHBondContact O-N 3.37Å; W414-N418 PolarHBondContact O-ND2 2.77Å; W414-V419 HydrophobicContact CH2-CG2 4.1Å; W414-V419 HydrophobicContact CZ3-CG2 3.88Å
415	Y	98.6	Very high	95.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.9	-48.1	175.7	174.2	-85.5	0	0	0	111.8	F261 P290 F326 W329 M330 S411 F412 R413 E417 N418 V419 Y420	F261-Y415 HydrophobicContact CE1-CE1 4.18Å; F261-Y415 HydrophobicContact CZ-CE1 4.1Å; P290-Y415 WeakPolarHBondContact CB-OH 3.03Å; P290-Y415 PolarHBondContact O-OH 3.37Å; F326-Y415 HydrophobicContact CD1-CE1 4.28Å; F326-Y415 AromaticContact CD1-CE2 3.93Å; F326-Y415 HydrophobicContact CD1-CE2 3.93Å; F326-Y415 AromaticContact CD1-CZ 3.8Å; F326-Y415 HydrophobicContact CE1-CE1 4.08Å; F326-Y415 HydrophobicContact CE1-CE2 4.44Å; F326-Y415 AromaticContact CE1-CZ 3.84Å; W329-Y415 HydrophobicContact CB-CD2 3.82Å; W329-Y415 HydrophobicContact CB-CE2 3.94Å; W329-Y415 AromaticContact CD1-CE2 3.72Å; W329-Y415 HydrophobicContact CG-CD2 4.28Å; W329-Y415 AromaticContact CG-CE2 3.98Å; W329-Y415 HydrophobicContact CG-CE2 3.98Å; M330-Y415 HydrophobicContact CG-CD2 4.25Å; S411-Y415 PolarHBondContact O-N 3.46Å; S411-Y415 VanDerWaalsContact O-N 3.16Å; F412-Y415 HydrophobicContact CD2-CD1 4.24Å; F412-Y415 HydrophobicContact CD2-CG 4.46Å; F412-Y415 AromaticContact CE2-CD1 3.83Å; F412-Y415 HydrophobicContact CE2-CD1 3.83Å; F412-Y415 HydrophobicContact CE2-CE1 4.25Å; F412-Y415 HydrophobicContact CE2-CG 4.41Å; F412-Y415 HydrophobicContact CZ-CD1 4.19Å; F412-Y415 HydrophobicContact CZ-CE1 4.48Å; F412-Y415 WeakPolarHBondContact O-CB 3.32Å; F412-Y415 PolarHBondContact O-N 3.45Å; F412-Y415 VanDerWaalsContact O-N 3.16Å; R413-Y415 VanDerWaalsContact C-N 3.27Å; R413-Y415 PolarHBondContact O-N 3.19Å; Y415-E417 VanDerWaalsContact C-N 3.35Å; Y415-E417 PolarHBondContact O-N 3.37Å; Y415-N418 PolarHBondContact O-N 2.84Å; Y415-V419 HydrophobicContact CD2-CB 3.88Å; Y415-V419 HydrophobicContact CD2-CG1 4.05Å; Y415-V419 HydrophobicContact CD2-CG2 4.07Å; Y415-V419 HydrophobicContact CE2-CB 3.95Å; Y415-V419 HydrophobicContact CE2-CG1 3.61Å; Y415-V419 HydrophobicContact CE2-CG2 4.46Å; Y415-V419 HydrophobicContact CG-CB 4.3Å; Y415-V419 WeakPolarHBondContact O-CA 3.37Å; Y415-V419 VanDerWaalsContact O-CB 3.24Å; Y415-V419 WeakPolarHBondContact O-CB 3.36Å; Y415-V419 PolarHBondContact O-N 3.19Å; Y415-Y420 HydrophobicContact CE1-CD1 4.42Å; Y415-Y420 PolarHBondContact O-N 2.73Å
416	L	95.5	Very high	94.1	Very high	11 Å²	11	62.4 Å²	62.4	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-41.8	176.9	-64.7	168.3	0	0	0	111.6	W263 Y378 F412 R413 Y420 P421 L423 I425	W263-L416 HydrophobicContact CH2-CD1 4.05Å; W263-L416 HydrophobicContact CH2-CD2 4.2Å; Y378-L416 HydrophobicContact CD1-CD1 3.58Å; Y378-L416 HydrophobicContact CD2-CD1 4.41Å; Y378-L416 HydrophobicContact CE1-CD1 3.49Å; Y378-L416 VanDerWaalsContact CE1-CD1 3.49Å; Y378-L416 HydrophobicContact CE2-CD1 4.35Å; Y378-L416 HydrophobicContact CG-CD1 4.06Å; F412-L416 HydrophobicContact CD1-CD1 3.8Å; F412-L416 HydrophobicContact CD1-CG 4.03Å; F412-L416 HydrophobicContact CE1-CD1 3.83Å; F412-L416 HydrophobicContact CE1-CD2 3.92Å; F412-L416 HydrophobicContact CE1-CG 3.89Å; F412-L416 HydrophobicContact CZ-CD2 4.32Å; F412-L416 WeakPolarHBondContact O-CG 3.45Å; F412-L416 PolarHBondContact O-N 3.39Å; R413-L416 PolarHBondContact O-N 3.46Å; L416-Y420 CarbonylContact O-C 3.57Å; L416-P421 WeakPolarHBondContact O-CA 3.43Å; L416-L423 HydrophobicContact CD2-CB 4.29Å; L416-L423 HydrophobicContact CD2-CD2 3.83Å; L416-L423 HydrophobicContact CD2-CG 4.34Å; L416-I425 HydrophobicContact CD1-CD1 4.45Å
417	E	94.8	Very high	92.5	Very high	95 Å²	95	59.6 Å²	59.6	44%	0.444	32%	0.317	S	S	.	.	H	α-helix	trans	-73.7	-28.8	-177.2	-70.5	171.8	173.1	0	0	113.6	R413 W414 Y415	R413-E417 HydrophobicContact CG-CG 4.43Å; R413-E417 WeakPolarHBondContact CG-OE1 3.29Å; R413-E417 IonicContact CZ-OE1 3.55Å; R413-E417 IonicContact NE-OE1 3.84Å; R413-E417 PolarHBondContact NE-OE1 3.18Å; R413-E417 IonicContact NE-OE2 3.81Å; R413-E417 IonicContact NH2-OE1 3.99Å; R413-E417 PolarHBondContact NH2-OE1 2.86Å; R413-E417 WeakPolarHBondContact O-CB 3.48Å; R413-E417 WeakPolarHBondContact O-CG 3.16Å; R413-E417 PolarHBondContact O-N 3.41Å; W414-E417 PolarHBondContact O-N 3.49Å; Y415-E417 VanDerWaalsContact C-N 3.35Å; Y415-E417 PolarHBondContact O-N 3.37Å
418	N	95.8	Very high	90.7	Very high	82 Å²	82	61.3 Å²	61.3	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-118.9	-17.8	-168.5	-63.3	-95.8	0	0	0	114.6	W414 Y415	W414-N418 HydrophobicContact CD2-CB 4.3Å; W414-N418 HydrophobicContact CZ2-CB 4.05Å; W414-N418 PolarHBondContact NE1-ND2 3.34Å; W414-N418 VanDerWaalsContact O-CB 3.3Å; W414-N418 WeakPolarHBondContact O-CB 3.38Å; W414-N418 PolarHBondContact O-N 3.37Å; W414-N418 PolarHBondContact O-ND2 2.77Å; Y415-N418 PolarHBondContact O-N 2.84Å
419	V	97.4	Very high	88.8	Confident	13 Å²	13	63 Å²	63	8%	0.079	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-43.3	-176.2	-178.7	0	0	0	0	111.2	P290 W329 W414 Y415	P290-V419 HydrophobicContact CB-CG1 4.47Å; W329-V419 HydrophobicContact CB-CG2 4.2Å; W329-V419 HydrophobicContact CD2-CB 4.36Å; W329-V419 HydrophobicContact CD2-CG1 3.61Å; W329-V419 HydrophobicContact CD2-CG2 3.76Å; W329-V419 HydrophobicContact CE3-CG1 4.32Å; W329-V419 HydrophobicContact CE3-CG2 3.76Å; W329-V419 HydrophobicContact CG-CB 4.47Å; W329-V419 HydrophobicContact CG-CG1 3.73Å; W329-V419 HydrophobicContact CG-CG2 3.99Å; W329-V419 HydrophobicContact CZ2-CG1 4.17Å; W414-V419 HydrophobicContact CH2-CG2 4.1Å; W414-V419 HydrophobicContact CZ3-CG2 3.88Å; Y415-V419 HydrophobicContact CD2-CB 3.88Å; Y415-V419 HydrophobicContact CD2-CG1 4.05Å; Y415-V419 HydrophobicContact CD2-CG2 4.07Å; Y415-V419 HydrophobicContact CE2-CB 3.95Å; Y415-V419 HydrophobicContact CE2-CG1 3.61Å; Y415-V419 HydrophobicContact CE2-CG2 4.46Å; Y415-V419 HydrophobicContact CG-CB 4.3Å; Y415-V419 WeakPolarHBondContact O-CA 3.37Å; Y415-V419 VanDerWaalsContact O-CB 3.24Å; Y415-V419 WeakPolarHBondContact O-CB 3.36Å; Y415-V419 PolarHBondContact O-N 3.19Å
420	Y	97.1	Very high	87.5	Confident	1 Å²	1	63.8 Å²	63.8	0%	0.004	33%	0.334	C	S	.	.			trans	-135.6	61.5	-176.5	-160.5	-165.6	0	0	0	114	G260 F261 E270 P290 Y415 L416 E422 L423	G260-Y420 VanDerWaalsContact CA-OH 3.29Å; G260-Y420 WeakPolarHBondContact CA-OH 3.49Å; F261-Y420 HydrophobicContact CD1-CD1 4.02Å; F261-Y420 AromaticContact CD1-CE1 3.63Å; F261-Y420 HydrophobicContact CD1-CE1 3.63Å; F261-Y420 AromaticContact CE1-CD1 3.49Å; F261-Y420 HydrophobicContact CE1-CD1 3.49Å; F261-Y420 VanDerWaalsContact CE1-CD1 3.49Å; F261-Y420 AromaticContact CE1-CE1 3.6Å; F261-Y420 HydrophobicContact CE1-CE1 3.6Å; F261-Y420 HydrophobicContact CG-CE1 4.24Å; F261-Y420 AromaticContact CZ-CD1 3.97Å; F261-Y420 HydrophobicContact CZ-CD1 3.97Å; F261-Y420 HydrophobicContact CZ-CE1 4.19Å; F261-Y420 PolarHBondContact N-OH 2.93Å; F261-Y420 VanDerWaalsContact N-OH 3.14Å; F261-Y420 PolarHBondContact O-OH 3.43Å; E270-Y420 PolarHBondContact OE1-OH 3.31Å; E270-Y420 WeakPolarHBondContact OE2-CE2 3.36Å; E270-Y420 PolarHBondContact OE2-OH 2.84Å; P290-Y420 HydrophobicContact CB-CD1 3.85Å; P290-Y420 HydrophobicContact CB-CD2 4.08Å; P290-Y420 HydrophobicContact CB-CE1 4.35Å; P290-Y420 HydrophobicContact CB-CG 3.69Å; P290-Y420 HydrophobicContact CG-CD1 4.26Å; P290-Y420 HydrophobicContact CG-CD2 3.55Å; P290-Y420 HydrophobicContact CG-CE2 4.02Å; P290-Y420 HydrophobicContact CG-CG 3.68Å; Y415-Y420 HydrophobicContact CE1-CD1 4.42Å; Y415-Y420 PolarHBondContact O-N 2.73Å; L416-Y420 CarbonylContact O-C 3.57Å; Y420-E422 HydrophobicContact CD2-CB 4.47Å; Y420-E422 WeakPolarHBondContact CD2-OE2 3.47Å; Y420-E422 HydrophobicContact CE2-CB 4.35Å; Y420-E422 PolarHBondContact O-N 2.99Å; Y420-L423 HydrophobicContact CD1-CB 3.62Å; Y420-L423 HydrophobicContact CD1-CD2 3.93Å; Y420-L423 HydrophobicContact CD1-CG 4.34Å; Y420-L423 HydrophobicContact CD2-CB 4.24Å; Y420-L423 HydrophobicContact CE1-CB 3.7Å; Y420-L423 HydrophobicContact CE1-CD1 4.38Å; Y420-L423 HydrophobicContact CE1-CD2 3.99Å; Y420-L423 HydrophobicContact CE1-CG 4.23Å; Y420-L423 HydrophobicContact CE2-CB 4.31Å; Y420-L423 HydrophobicContact CG-CB 3.91Å; Y420-L423 PolarHBondContact O-N 3.44Å
421	P	92.7	Very high	86.5	Confident	82 Å²	82	63.2 Å²	63.2	53%	0.532	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.9	-177.8	28.1	-35.7	0	0	0	113.6	L416 L423	L416-P421 WeakPolarHBondContact O-CA 3.43Å; P421-L423 VanDerWaalsContact C-N 3.3Å
422	E	92.1	Very high	85.9	Confident	82 Å²	82	63.6 Å²	63.6	38%	0.383	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.8	178.6	-52	83.2	172.8	0	0	112.8	R258 P273 Y420 T424	R258-E422 IonicContact CZ-OE1 3.77Å; R258-E422 IonicContact CZ-OE2 3.62Å; R258-E422 IonicContact NH1-OE1 2.74Å; R258-E422 IonicContact NH2-OE1 3.78Å; R258-E422 PolarHBondContact NH2-OE1 2.93Å; R258-E422 IonicContact NH2-OE2 2.72Å; R258-E422 PolarHBondContact NH2-OE2 3.1Å; P273-E422 HydrophobicContact CG-CG 4.14Å; P273-E422 WeakPolarHBondContact CG-OE1 3.39Å; Y420-E422 HydrophobicContact CD2-CB 4.47Å; Y420-E422 WeakPolarHBondContact CD2-OE2 3.47Å; Y420-E422 HydrophobicContact CE2-CB 4.35Å; Y420-E422 PolarHBondContact O-N 2.99Å; E422-T424 PolarHBondContact O-N 2.95Å
423	L	92.6	Very high	85.4	Confident	15 Å²	15	63.7 Å²	63.7	8%	0.079	34%	0.338	C	S	.	.	S	Bend	trans	-72.5	94.8	171.6	-178.5	58.2	0	0	0	109.6	F261 W263 L416 Y420 P421 I425	F261-L423 HydrophobicContact CD2-CD2 4.28Å; F261-L423 HydrophobicContact CE2-CD2 3.57Å; F261-L423 HydrophobicContact CZ-CD2 3.71Å; F261-L423 WeakPolarHBondContact O-CD1 3.11Å; W263-L423 HydrophobicContact CH2-CD2 4.26Å; W263-L423 HydrophobicContact CZ2-CD2 3.96Å; W263-L423 HydrophobicContact CZ2-CG 3.86Å; L416-L423 HydrophobicContact CD2-CB 4.29Å; L416-L423 HydrophobicContact CD2-CD2 3.83Å; L416-L423 HydrophobicContact CD2-CG 4.34Å; Y420-L423 HydrophobicContact CD1-CB 3.62Å; Y420-L423 HydrophobicContact CD1-CD2 3.93Å; Y420-L423 HydrophobicContact CD1-CG 4.34Å; Y420-L423 HydrophobicContact CD2-CB 4.24Å; Y420-L423 HydrophobicContact CE1-CB 3.7Å; Y420-L423 HydrophobicContact CE1-CD1 4.38Å; Y420-L423 HydrophobicContact CE1-CD2 3.99Å; Y420-L423 HydrophobicContact CE1-CG 4.23Å; Y420-L423 HydrophobicContact CE2-CB 4.31Å; Y420-L423 HydrophobicContact CG-CB 3.91Å; Y420-L423 PolarHBondContact O-N 3.44Å; P421-L423 VanDerWaalsContact C-N 3.3Å; L423-I425 PolarHBondContact O-N 3.11Å
424	T	84.5	Confident	85.3	Confident	113 Å²	113	60.7 Å²	60.7	69%	0.693	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-65.5	125	179.7	54.3	0	0	0	0	110.5	W263 E422	W263-T424 PolarHBondContact NE1-O 2.95Å; E422-T424 PolarHBondContact O-N 2.95Å
425	I	83.5	Confident	85	Confident	70 Å²	70	57.1 Å²	57.1	36%	0.359	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-70	129.4	172.4	-62.4	160.8	0	0	0	107.5	W263 Y378 Y381 L416 L423 V427	W263-I425 HydrophobicContact CH2-CG1 4.22Å; W263-I425 HydrophobicContact CZ2-CB 4.28Å; W263-I425 HydrophobicContact CZ2-CG1 3.78Å; Y378-I425 HydrophobicContact CD1-CD1 4.44Å; Y378-I425 HydrophobicContact CE1-CD1 3.72Å; Y378-I425 HydrophobicContact CE1-CG1 4.31Å; Y381-I425 HydrophobicContact CD2-CG2 4.31Å; Y381-I425 HydrophobicContact CE1-CG2 4.01Å; Y381-I425 HydrophobicContact CE2-CG2 3.55Å; Y381-I425 WeakPolarHBondContact OH-CG2 3.18Å; L416-I425 HydrophobicContact CD1-CD1 4.45Å; L423-I425 PolarHBondContact O-N 3.11Å; I425-V427 PolarHBondContact O-N 3.32Å; I425-V427 VanDerWaalsContact O-N 3.07Å
426	P	75.4	Confident	84.7	Confident	55 Å²	55	60.1 Å²	60.1	36%	0.357	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-60.9	118.5	-178.9	-21	34.9	0	0	0	109.2	W263 Y381 K428	W263-P426 HydrophobicContact CG-CG 4.19Å; Y381-P426 HydrophobicContact CD1-CB 4.43Å; Y381-P426 HydrophobicContact CD1-CG 4Å; Y381-P426 HydrophobicContact CG-CG 4.5Å; P426-K428 PolarHBondContact O-N 2.05Å
427	V	63.4	Low	84.5	Confident	128 Å²	128	61.1 Å²	61.1	78%	0.776	33%	0.332	S	S	*	.			trans	-75.9	105.1	170.4	-175.7	0	0	0	0	105.7	I425 E429	I425-V427 PolarHBondContact O-N 3.32Å; I425-V427 VanDerWaalsContact O-N 3.07Å; V427-E429 PolarHBondContact O-N 3.29Å; V427-E429 VanDerWaalsContact O-N 3.13Å
428	K	59.2	Low	84.2	Confident	72 Å²	72	59 Å²	59	31%	0.313	34%	0.336	S	S	.	.			trans	-60.6	119.3	166.8	-78.5	178.6	176.9	172.6	0	107.2	E384 P426 A430 S476 D477	E384-K428 WeakPolarHBondContact OE1-CE 3.39Å; E384-K428 IonicContact OE1-NZ 3.81Å; E384-K428 PolarHBondContact OE1-NZ 2.62Å; E384-K428 WeakPolarHBondContact OE2-CE 3.43Å; E384-K428 IonicContact OE2-NZ 2.66Å; P426-K428 PolarHBondContact O-N 2.05Å; K428-A430 PolarHBondContact O-N 3.14Å; K428-S476 PolarHBondContact O-OG 2.82Å; K428-D477 HydrophobicContact CD-CB 3.72Å; K428-D477 WeakPolarHBondContact CD-OD2 3.05Å; K428-D477 IonicContact NZ-OD1 2.83Å; K428-D477 IonicContact NZ-OD2 3.87Å; K428-D477 PolarHBondContact NZ-OD2 2.91Å
429	E	58	Low	83.9	Confident	172 Å²	172	59.7 Å²	59.7	80%	0.804	35%	0.345	S	S	*	.			trans	-44.5	127.5	179.7	-71.5	-177.6	165.4	0	0	109.3	V427 L431	V427-E429 PolarHBondContact O-N 3.29Å; V427-E429 VanDerWaalsContact O-N 3.13Å; E429-L431 PolarHBondContact O-N 2.64Å; E429-L431 VanDerWaalsContact O-N 3.12Å
430	A	69.4	Low	83.6	Confident	36 Å²	36	61.9 Å²	61.9	30%	0.298	36%	0.356	S	S	.	.			trans	-70.2	112.9	179.7	0	0	0	0	0	108.3	K428 P432 L474 F475	K428-A430 PolarHBondContact O-N 3.14Å; A430-P432 WeakPolarHBondContact O-CD 3.29Å; A430-L474 HydrophobicContact CB-CB 4Å; A430-L474 HydrophobicContact CB-CD2 4.06Å; A430-F475 CarbonylContact C-O 3.55Å; A430-F475 VanDerWaalsContact CA-O 3.26Å; A430-F475 WeakPolarHBondContact CA-O 3.4Å
431	L	78.4	Confident	83.4	Confident	99 Å²	99	61.8 Å²	61.8	52%	0.518	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.1	179.4	-67.8	170.5	0	0	0	108.7	E429 F475	E429-L431 PolarHBondContact O-N 2.64Å; E429-L431 VanDerWaalsContact O-N 3.12Å; L431-F475 HydrophobicContact CB-CB 4.43Å; L431-F475 PolarHBondContact N-O 2.94Å; L431-F475 WeakPolarHBondContact O-CD2 3.23Å; L431-F475 PolarHBondContact O-N 2.92Å
432	P	84.6	Confident	83.4	Confident	59 Å²	59	57.9 Å²	57.9	38%	0.383	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	149	173.2	24.2	-26.8	0	0	0	110.7	A430 W473 L474 P556 H557	A430-P432 WeakPolarHBondContact O-CD 3.29Å; P432-W473 CarbonylContact C-O 3.52Å; P432-W473 WeakPolarHBondContact CA-O 3.2Å; P432-L474 HydrophobicContact CB-CD2 4.03Å; P432-P556 CarbonylContact O-C 3.49Å; P432-P556 WeakPolarHBondContact O-CA 3.3Å; P432-H557 HydrophobicContact CB-CB 4.31Å; P432-H557 HydrophobicContact CG-CB 3.98Å; P432-H557 VanDerWaalsContact O-CB 3.32Å; P432-H557 WeakPolarHBondContact O-CB 3.46Å; P432-H557 PolarHBondContact O-N 2.85Å
433	G	88.6	Confident	83.3	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-160.8	174.1	0	0	0	0	0	113.7	W473 L555	G433-W473 PolarHBondContact N-O 3.38Å; G433-W473 PolarHBondContact O-N 3.08Å; G433-L555 CarbonylContact C-O 3.6Å; G433-L555 WeakPolarHBondContact CA-O 3.41Å
434	I	91.4	Very high	83.1	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.7	-179.3	62.4	178	0	0	0	112	A464 P467 Q471 L555	I434-A464 HydrophobicContact CD1-CB 4.3Å; I434-A464 HydrophobicContact CG1-CB 4.3Å; I434-P467 HydrophobicContact CG2-CB 3.43Å; I434-P467 VanDerWaalsContact CG2-CB 3.43Å; I434-P467 HydrophobicContact CG2-CG 4.18Å; I434-Q471 WeakPolarHBondContact CG2-O 3.4Å; I434-L555 HydrophobicContact CD1-CB 4.47Å; I434-L555 HydrophobicContact CD1-CD1 4Å; I434-L555 HydrophobicContact CG1-CB 3.79Å; I434-L555 HydrophobicContact CG1-CD1 4.1Å; I434-L555 HydrophobicContact CG1-CG 4.43Å; I434-L555 PolarHBondContact N-O 3Å; I434-L555 PolarHBondContact O-N 3.21Å
435	I	92.3	Very high	83.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.2	174.7	-59.8	168.4	0	0	0	108	C441 L442 W473 F475 I480 I522 W552 L554	I435-C441 CarbonylContact O-C 3.57Å; I435-C441 VanDerWaalsContact O-CA 3.24Å; I435-C441 WeakPolarHBondContact O-CA 3.37Å; I435-L442 HydrophobicContact CB-CB 3.89Å; I435-L442 HydrophobicContact CB-CD2 4.41Å; I435-L442 HydrophobicContact CD1-CD2 3.66Å; I435-L442 HydrophobicContact CG2-CB 4.07Å; I435-L442 HydrophobicContact CG2-CD2 4.44Å; I435-L442 PolarHBondContact O-N 3.21Å; I435-W473 HydrophobicContact CD1-CB 4.35Å; I435-W473 HydrophobicContact CD1-CD2 4.13Å; I435-W473 HydrophobicContact CD1-CG 3.92Å; I435-W473 HydrophobicContact CG1-CG 4.24Å; I435-F475 HydrophobicContact CD1-CE1 3.7Å; I435-F475 HydrophobicContact CD1-CZ 4.2Å; I435-F475 HydrophobicContact CG1-CE1 3.4Å; I435-F475 VanDerWaalsContact CG1-CE1 3.4Å; I435-F475 HydrophobicContact CG1-CZ 3.45Å; I435-F475 VanDerWaalsContact CG1-CZ 3.45Å; I435-I480 HydrophobicContact CD1-CD1 4.43Å; I435-I480 HydrophobicContact CD1-CG2 3.67Å; I435-I522 HydrophobicContact CG2-CD1 3.96Å; I435-W552 HydrophobicContact CG2-CD2 4.26Å; I435-W552 HydrophobicContact CG2-CE3 3.48Å; I435-W552 VanDerWaalsContact CG2-CE3 3.48Å; I435-W552 HydrophobicContact CG2-CZ3 4.01Å; I435-L554 HydrophobicContact CG1-CG 4.42Å
436	K	92.2	Very high	82.5	Confident	63 Å²	63	53.4 Å²	53.4	27%	0.274	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145	-172.5	-179.5	174.6	178.7	179.2	0	111.8	G438 N440 W552 Q553 L555	K436-G438 WeakPolarHBondContact CE-O 3.41Å; K436-G438 VanDerWaalsContact CG-O 3.32Å; K436-G438 WeakPolarHBondContact CG-O 3.47Å; K436-N440 CarbonylContact C-O 3.51Å; K436-N440 WeakPolarHBondContact CA-O 3.33Å; K436-W552 CarbonylContact O-C 3.08Å; K436-W552 WeakPolarHBondContact O-CA 3.34Å; K436-Q553 HydrophobicContact CB-CB 4.23Å; K436-Q553 PolarHBondContact N-O 3.32Å; K436-Q553 PolarHBondContact O-N 3.46Å; K436-L555 HydrophobicContact CD-CD1 4.15Å
437	Q	92.1	Very high	82.3	Confident	31 Å²	31	56.5 Å²	56.5	15%	0.145	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	106	170.7	177.6	169.9	81.6	0	0	108.4	N440 M457 T533 Q548 A549 Q551 W552	Q437-N440 PolarHBondContact N-O 3.49Å; Q437-N440 PolarHBondContact O-N 3.48Å; Q437-N440 VanDerWaalsContact O-N 3.12Å; Q437-M457 HydrophobicContact CB-CE 3.84Å; Q437-T533 PolarHBondContact OE1-OG1 3.23Å; Q437-Q548 PolarHBondContact NE2-O 3.36Å; Q437-A549 PolarHBondContact NE2-O 3.22Å; Q437-Q551 WeakPolarHBondContact CG-O 3.4Å; Q437-Q551 PolarHBondContact NE2-O 3.28Å; Q437-W552 HydrophobicContact CB-CE3 3.96Å; Q437-W552 HydrophobicContact CB-CZ3 3.96Å
438	G	87.5	Confident	82.3	Confident	52 Å²	52	53 Å²	53	54%	0.536	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-132	-171.7	0	0	0	0	0	111.4	K436 N440	K436-G438 WeakPolarHBondContact CE-O 3.41Å; K436-G438 VanDerWaalsContact CG-O 3.32Å; K436-G438 WeakPolarHBondContact CG-O 3.47Å; G438-N440 VanDerWaalsContact C-N 3.27Å; G438-N440 PolarHBondContact O-N 3.5Å
439	P	89.1	Confident	82.2	Confident	95 Å²	95	57.2 Å²	57.2	62%	0.617	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.2	175.6	33.1	-35.1	0	0	0	114.1	C460	P439-C460 PolarHBondContact O-N 3.15Å; P439-C460 PolarHBondContact O-SG 2.83Å
440	N	92.1	Very high	82.3	Confident	59 Å²	59	52.9 Å²	52.9	32%	0.316	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	151	-172.2	-61.8	-31.2	0	0	0	112	K436 Q437 G438 M457 G458 C460	K436-N440 CarbonylContact C-O 3.51Å; K436-N440 WeakPolarHBondContact CA-O 3.33Å; Q437-N440 PolarHBondContact N-O 3.49Å; Q437-N440 PolarHBondContact O-N 3.48Å; Q437-N440 VanDerWaalsContact O-N 3.12Å; G438-N440 VanDerWaalsContact C-N 3.27Å; G438-N440 PolarHBondContact O-N 3.5Å; N440-M457 HydrophobicContact CB-CB 4.29Å; N440-M457 HydrophobicContact CB-CE 3.74Å; N440-G458 CarbonylContact C-O 3.51Å; N440-G458 WeakPolarHBondContact CA-O 3.42Å; N440-G458 WeakPolarHBondContact CB-O 3.25Å; N440-C460 PolarHBondContact O-SG 3.47Å
441	C	92.8	Very high	82	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.1	177.6	-79.9	0	0	0	0	110	I435 E443 G458 C460 Q471	I435-C441 CarbonylContact O-C 3.57Å; I435-C441 VanDerWaalsContact O-CA 3.24Å; I435-C441 WeakPolarHBondContact O-CA 3.37Å; C441-E443 PolarHBondContact O-N 3.08Å; C441-G458 PolarHBondContact N-O 3.35Å; C441-G458 PolarHBondContact O-N 3.25Å; C441-C460 VanDerWaalsContact CA-SG 3.57Å; C441-C460 HydrophobicContact CB-CB 4Å; C441-C460 WeakPolarHBondContact CB-SG 3.31Å; C441-C460 PolarHBondContact N-SG 3.31Å; C441-C460 WeakPolarHBondContact SG-CB 3Å; C441-C460 CovalentContact SG-SG 2.04Å; C441-C460 PolarHBondContact SG-SG 3.16Å; C441-Q471 HydrophobicContact CB-CG 4.16Å
442	L	91.8	Very high	81.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.4	170.7	-177.9	66.2	0	0	0	109	I435 M457 W473 L538	I435-L442 HydrophobicContact CB-CB 3.89Å; I435-L442 HydrophobicContact CB-CD2 4.41Å; I435-L442 HydrophobicContact CD1-CD2 3.66Å; I435-L442 HydrophobicContact CG2-CB 4.07Å; I435-L442 HydrophobicContact CG2-CD2 4.44Å; I435-L442 PolarHBondContact O-N 3.21Å; L442-M457 HydrophobicContact CB-SD 4.33Å; L442-M457 HydrophobicContact CD1-SD 4.21Å; L442-W473 HydrophobicContact CD2-CD2 4.5Å; L442-W473 HydrophobicContact CD2-CH2 4.17Å; L442-W473 HydrophobicContact CD2-CZ2 3.68Å; L442-W473 HydrophobicContact CG-CZ2 3.67Å; L442-W473 PolarHBondContact O-NE1 2.98Å; L442-L538 HydrophobicContact CD1-CD1 3.19Å; L442-L538 HydrophobicContact CD1-CD2 4.45Å; L442-L538 HydrophobicContact CD1-CG 4.41Å
443	E	90.9	Very high	80.6	Confident	31 Å²	31	49.5 Å²	49.5	15%	0.145	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.4	-178.9	75.6	-176	173.4	0	0	113.2	C441 Q445 G456 G458 A470 Q471	C441-E443 PolarHBondContact O-N 3.08Å; E443-Q445 HydrophobicContact CG-CG 3.96Å; E443-Q445 PolarHBondContact OE1-NE2 3.41Å; E443-G456 PolarHBondContact N-O 2.88Å; E443-G456 PolarHBondContact O-N 3.5Å; E443-G458 VanDerWaalsContact CD-CA 3.46Å; E443-G458 WeakPolarHBondContact OE1-CA 3.49Å; E443-G458 PolarHBondContact OE1-N 3.32Å; E443-A470 VanDerWaalsContact CA-O 3.22Å; E443-A470 WeakPolarHBondContact CA-O 3.45Å; E443-Q471 HydrophobicContact CB-CG 3.64Å; E443-Q471 PolarHBondContact OE2-NE2 2.68Å
444	S	88.8	Confident	79.9	Confident	17 Å²	17	53.5 Å²	53.5	12%	0.119	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.4	165.9	59.8	0	0	0	0	110.6	A470 Q482	S444-A470 PolarHBondContact N-O 3.01Å; S444-Q482 PolarHBondContact OG-OE1 3.32Å
445	Q	83.1	Confident	79.8	Confident	107 Å²	107	53.5 Å²	53.5	50%	0.5	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	21.6	-176.4	-64.5	-171.4	-27.2	0	0	113.8	E443 L454	E443-Q445 HydrophobicContact CG-CG 3.96Å; E443-Q445 PolarHBondContact OE1-NE2 3.41Å; Q445-L454 HydrophobicContact CB-CB 4.48Å; Q445-L454 PolarHBondContact N-O 3.29Å
446	G	71.9	Confident	79.5	Confident	31 Å²	31	54 Å²	54	32%	0.32	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.3	-170.7	-178.1	0	0	0	0	0	113.3	F453 L454	G446-F453 CarbonylContact O-C 3.57Å; G446-F453 VanDerWaalsContact O-CA 3.23Å; G446-F453 WeakPolarHBondContact O-CA 3.33Å; G446-L454 PolarHBondContact O-N 3.38Å
447	Q	70.5	Confident	79.4	Confident	119 Å²	119	52.9 Å²	52.9	56%	0.556	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.5	-179.1	-71.6	176.5	19.6	0	0	112	D452 F453	Q447-D452 CarbonylContact C-O 3.53Å; Q447-D452 VanDerWaalsContact CA-O 3.28Å; Q447-D452 WeakPolarHBondContact CA-O 3.25Å; Q447-F453 HydrophobicContact CG-CD1 4.19Å; Q447-F453 HydrophobicContact CG-CD2 3.5Å; Q447-F453 HydrophobicContact CG-CE1 4.08Å; Q447-F453 HydrophobicContact CG-CE2 3.41Å; Q447-F453 VanDerWaalsContact CG-CE2 3.41Å; Q447-F453 HydrophobicContact CG-CG 3.94Å; Q447-F453 HydrophobicContact CG-CZ 3.73Å; Q447-F453 VanDerWaalsContact NE2-CZ 3.29Å
448	N	64.3	Low	79.2	Confident	54 Å²	54	51.9 Å²	51.9	29%	0.289	32%	0.321	S	S	.	.			trans	-79.6	176.6	164.7	71.1	10.4	0	0	0	111.2	A450 G451 D452 L454	N448-A450 PolarHBondContact O-N 3.4Å; N448-A450 WeakPolarHBondContact OD1-CA 3.24Å; N448-A450 WeakPolarHBondContact OD1-CB 2.96Å; N448-A450 PolarHBondContact OD1-N 3.04Å; N448-G451 PolarHBondContact O-N 3.49Å; N448-G451 PolarHBondContact OD1-N 2.94Å; N448-D452 PolarHBondContact N-O 3.4Å; N448-D452 PolarHBondContact OD1-N 3.22Å; N448-D452 PolarHBondContact OD1-O 2.72Å; N448-L454 HydrophobicContact CB-CD1 4.24Å; N448-L454 HydrophobicContact CB-CD2 4.35Å; N448-L454 HydrophobicContact CB-CG 4.21Å
449	T	57.3	Low	79.4	Confident	162 Å²	162	55 Å²	55	99%	0.994	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.3	179.2	4.4	0	0	0	0	114.5
450	A	60.3	Low	79.3	Confident	80 Å²	80	52.1 Å²	52.1	66%	0.661	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.1	175.6	0	0	0	0	0	113.2	N448 D452	N448-A450 PolarHBondContact O-N 3.4Å; N448-A450 WeakPolarHBondContact OD1-CA 3.24Å; N448-A450 WeakPolarHBondContact OD1-CB 2.96Å; N448-A450 PolarHBondContact OD1-N 3.04Å; A450-D452 VanDerWaalsContact C-N 3.33Å
451	G	61.9	Low	79.1	Confident	30 Å²	30	57 Å²	57	31%	0.309	32%	0.32	S	S	.	.	S	Bend	trans	82.9	3.5	-178.2	0	0	0	0	0	114.7	N448	N448-G451 PolarHBondContact O-N 3.49Å; N448-G451 PolarHBondContact OD1-N 2.94Å
452	D	64.1	Low	78.3	Confident	59 Å²	59	60.1 Å²	60.1	32%	0.316	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-78.8	134.3	175.5	-66.7	-43.6	0	0	0	110.2	Q447 N448 A450 L454	Q447-D452 CarbonylContact C-O 3.53Å; Q447-D452 VanDerWaalsContact CA-O 3.28Å; Q447-D452 WeakPolarHBondContact CA-O 3.25Å; N448-D452 PolarHBondContact N-O 3.4Å; N448-D452 PolarHBondContact OD1-N 3.22Å; N448-D452 PolarHBondContact OD1-O 2.72Å; A450-D452 VanDerWaalsContact C-N 3.33Å; D452-L454 PolarHBondContact O-N 2.85Å
453	F	70	Confident	77.5	Confident	35 Å²	35	63 Å²	63	15%	0.154	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.4	175	-83.9	-102.4	0	0	0	110.2	G446 Q447 K485 L503	G446-F453 CarbonylContact O-C 3.57Å; G446-F453 VanDerWaalsContact O-CA 3.23Å; G446-F453 WeakPolarHBondContact O-CA 3.33Å; Q447-F453 HydrophobicContact CG-CD1 4.19Å; Q447-F453 HydrophobicContact CG-CD2 3.5Å; Q447-F453 HydrophobicContact CG-CE1 4.08Å; Q447-F453 HydrophobicContact CG-CE2 3.41Å; Q447-F453 VanDerWaalsContact CG-CE2 3.41Å; Q447-F453 HydrophobicContact CG-CG 3.94Å; Q447-F453 HydrophobicContact CG-CZ 3.73Å; Q447-F453 VanDerWaalsContact NE2-CZ 3.29Å; F453-K485 HydrophobicContact CD2-CD 4.06Å; F453-K485 HydrophobicContact CE2-CD 4.3Å; F453-L503 HydrophobicContact CB-CB 3.96Å; F453-L503 HydrophobicContact CB-CD1 4.01Å
454	L	74.2	Confident	76.7	Confident	85 Å²	85	62.6 Å²	62.6	45%	0.445	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	140.1	174.5	-65.1	174.4	0	0	0	109.7	Q445 G446 N448 D452	Q445-L454 HydrophobicContact CB-CB 4.48Å; Q445-L454 PolarHBondContact N-O 3.29Å; G446-L454 PolarHBondContact O-N 3.38Å; N448-L454 HydrophobicContact CB-CD1 4.24Å; N448-L454 HydrophobicContact CB-CD2 4.35Å; N448-L454 HydrophobicContact CB-CG 4.21Å; D452-L454 PolarHBondContact O-N 2.85Å
455	L	87.8	Confident	76	Confident	13 Å²	13	67.9 Å²	67.9	7%	0.068	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.7	175.9	-68.2	167.8	0	0	0	109.5	W473 L487 V501 L503 L538	L455-W473 HydrophobicContact CD2-CH2 3.7Å; L455-W473 HydrophobicContact CD2-CZ2 4.1Å; L455-L487 HydrophobicContact CD1-CD1 3.32Å; L455-V501 HydrophobicContact CD1-CG1 4.29Å; L455-L503 HydrophobicContact CD1-CG 4.24Å; L455-L503 HydrophobicContact CD2-CD1 3.69Å; L455-L503 HydrophobicContact CD2-CG 3.82Å; L455-L503 HydrophobicContact CG-CD1 4.41Å; L455-L503 HydrophobicContact CG-CG 4.18Å; L455-L538 HydrophobicContact CB-CD1 3.59Å; L455-L538 HydrophobicContact CD1-CD1 4.41Å
456	G	87.5	Confident	75.8	Confident	10 Å²	10	69 Å²	69	10%	0.103	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-175.4	177	0	0	0	0	0	112.2	E443	E443-G456 PolarHBondContact N-O 2.88Å; E443-G456 PolarHBondContact O-N 3.5Å
457	M	90.4	Very high	76.2	Confident	41 Å²	41	68.8 Å²	68.8	20%	0.202	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.9	175.8	-64.6	-58.6	-60.3	0	0	108.6	Q437 N440 L442 T533 W552	Q437-M457 HydrophobicContact CB-CE 3.84Å; N440-M457 HydrophobicContact CB-CB 4.29Å; N440-M457 HydrophobicContact CB-CE 3.74Å; L442-M457 HydrophobicContact CB-SD 4.33Å; L442-M457 HydrophobicContact CD1-SD 4.21Å; M457-T533 HydrophobicContact CG-CG2 3.57Å; M457-W552 HydrophobicContact CE-CZ3 4Å; M457-W552 HydrophobicContact SD-CH2 3.87Å; M457-W552 HydrophobicContact SD-CZ3 3.78Å
458	G	88.1	Confident	76.9	Confident	9 Å²	9	67.9 Å²	67.9	9%	0.093	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	165.9	173.5	0	0	0	0	0	111.5	N440 C441 E443 C460	N440-G458 CarbonylContact C-O 3.51Å; N440-G458 WeakPolarHBondContact CA-O 3.42Å; N440-G458 WeakPolarHBondContact CB-O 3.25Å; C441-G458 PolarHBondContact N-O 3.35Å; C441-G458 PolarHBondContact O-N 3.25Å; E443-G458 VanDerWaalsContact CD-CA 3.46Å; E443-G458 WeakPolarHBondContact OE1-CA 3.49Å; E443-G458 PolarHBondContact OE1-N 3.32Å; G458-C460 PolarHBondContact O-N 2.85Å
459	I	90.1	Very high	78	Confident	118 Å²	118	69.2 Å²	69.2	61%	0.605	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	131.8	170.4	-61.9	171.4	0	0	0	108	R461 Q471	I459-R461 PolarHBondContact O-N 3.36Å; I459-Q471 PolarHBondContact O-NE2 3.46Å
460	C	88.5	Confident	79.4	Confident	35 Å²	35	63 Å²	63	24%	0.236	37%	0.37	C	S	.	.			trans	-59.9	121.7	177.1	-68.2	0	0	0	0	110.8	P439 N440 C441 G458	P439-C460 PolarHBondContact O-N 3.15Å; P439-C460 PolarHBondContact O-SG 2.83Å; N440-C460 PolarHBondContact O-SG 3.47Å; C441-C460 VanDerWaalsContact CA-SG 3.57Å; C441-C460 HydrophobicContact CB-CB 4Å; C441-C460 WeakPolarHBondContact CB-SG 3.31Å; C441-C460 PolarHBondContact N-SG 3.31Å; C441-C460 WeakPolarHBondContact SG-CB 3Å; C441-C460 CovalentContact SG-SG 2.04Å; C441-C460 PolarHBondContact SG-SG 3.16Å; G458-C460 PolarHBondContact O-N 2.85Å
461	R	86.3	Confident	80.9	Confident	160 Å²	160	59.3 Å²	59.3	60%	0.604	34%	0.339	S	S	*	.			trans	-117.6	127.8	-179.4	-70.7	173.9	-175.3	166.8	2.2	110.4	I459 Q468	I459-R461 PolarHBondContact O-N 3.36Å; R461-Q468 HydrophobicContact CB-CB 4.33Å; R461-Q468 HydrophobicContact CB-CG 3.51Å; R461-Q468 PolarHBondContact O-N 3.1Å
462	G	76.3	Confident	82.2	Confident	66 Å²	66	59.4 Å²	59.4	68%	0.68	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	88.1	-163	-175.6	0	0	0	0	0	112.7
463	S	75.9	Confident	83.4	Confident	61 Å²	61	56.7 Å²	56.7	43%	0.427	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	166.7	176.5	72.8	0	0	0	0	110.5	K465 N466 P467	S463-K465 PolarHBondContact O-N 3.29Å; S463-K465 VanDerWaalsContact O-N 3.08Å; S463-K465 PolarHBondContact OG-N 3.24Å; S463-N466 PolarHBondContact N-O 2.83Å; S463-N466 CarbonylContact O-C 3.55Å; S463-N466 PolarHBondContact O-N 2.91Å; S463-N466 PolarHBondContact OG-N 2.71Å; S463-P467 WeakPolarHBondContact O-CA 3.5Å; S463-P467 WeakPolarHBondContact O-CD 3.47Å
464	A	74	Confident	84.3	Confident	23 Å²	23	58.3 Å²	58.3	19%	0.19	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.6	174.2	0	0	0	0	0	113.1	I434 L555	I434-A464 HydrophobicContact CD1-CB 4.3Å; I434-A464 HydrophobicContact CG1-CB 4.3Å; A464-L555 HydrophobicContact CB-CB 4.08Å
465	K	74.5	Confident	84.7	Confident	127 Å²	127	55.4 Å²	55.4	55%	0.552	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.9	174.5	-67.4	-175.1	171.1	-173.9	0	114.5	S463 H557 T558	S463-K465 PolarHBondContact O-N 3.29Å; S463-K465 VanDerWaalsContact O-N 3.08Å; S463-K465 PolarHBondContact OG-N 3.24Å; K465-H557 PolarHBondContact O-CE1 3.28Å; K465-H557 PolarHBondContact O-NE2 3.01Å; K465-T558 WeakPolarHBondContact CE-O 3.33Å; K465-T558 PolarHBondContact NZ-O 2.68Å
466	N	78.8	Confident	84.2	Confident	130 Å²	130	56.2 Å²	56.2	70%	0.695	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.7	69.8	177.3	-163.2	13.3	0	0	0	109.2	S463	S463-N466 PolarHBondContact N-O 2.83Å; S463-N466 CarbonylContact O-C 3.55Å; S463-N466 PolarHBondContact O-N 2.91Å; S463-N466 PolarHBondContact OG-N 2.71Å
467	P	80.6	Confident	83.4	Confident	27 Å²	27	59 Å²	59	18%	0.175	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	152.8	-178.8	30.6	-34.7	0	0	0	111	I434 S463 A472	I434-P467 HydrophobicContact CG2-CB 3.43Å; I434-P467 VanDerWaalsContact CG2-CB 3.43Å; I434-P467 HydrophobicContact CG2-CG 4.18Å; S463-P467 WeakPolarHBondContact O-CA 3.5Å; S463-P467 WeakPolarHBondContact O-CD 3.47Å; P467-A472 HydrophobicContact CB-CB 4.25Å; P467-A472 HydrophobicContact CG-CB 3.73Å
468	Q	85.2	Confident	83	Confident	100 Å²	100	59.5 Å²	59.5	47%	0.467	34%	0.338	S	S	.	.			trans	-58.1	141.8	166	-79.4	-67.1	-35.7	0	0	110.4	R461 A470 Q471 A472	R461-Q468 HydrophobicContact CB-CB 4.33Å; R461-Q468 HydrophobicContact CB-CG 3.51Å; R461-Q468 PolarHBondContact O-N 3.1Å; Q468-A470 PolarHBondContact O-N 3.45Å; Q468-A470 VanDerWaalsContact O-N 3.09Å; Q468-Q471 CarbonylContact O-C 3.57Å; Q468-Q471 WeakPolarHBondContact O-CA 3.12Å; Q468-Q471 PolarHBondContact O-N 2.69Å; Q468-A472 PolarHBondContact O-N 3Å
469	P	85.9	Confident	83	Confident	82 Å²	82	60.1 Å²	60.1	53%	0.532	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-54.4	-35	-175.3	-28.9	35.2	0	0	0	114.6	Q471 A472 Q482	P469-Q471 VanDerWaalsContact C-N 3.26Å; P469-Q471 PolarHBondContact O-N 3.5Å; P469-A472 PolarHBondContact O-N 3.41Å; P469-Q482 PolarHBondContact O-NE2 3.31Å
470	A	87.8	Confident	83	Confident	31 Å²	31	55 Å²	55	26%	0.256	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-70.7	-19.1	177	0	0	0	0	0	113.8	E443 S444 Q468 Q482	E443-A470 VanDerWaalsContact CA-O 3.22Å; E443-A470 WeakPolarHBondContact CA-O 3.45Å; S444-A470 PolarHBondContact N-O 3.01Å; Q468-A470 PolarHBondContact O-N 3.45Å; Q468-A470 VanDerWaalsContact O-N 3.09Å; A470-Q482 VanDerWaalsContact C-NE2 3.28Å; A470-Q482 PolarHBondContact O-NE2 3.18Å
471	Q	90.6	Very high	83.1	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.014	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-108.5	-1.7	179.8	-68.7	178.1	0.1	0	0	112.6	I434 C441 E443 I459 Q468 P469	I434-Q471 WeakPolarHBondContact CG2-O 3.4Å; C441-Q471 HydrophobicContact CB-CG 4.16Å; E443-Q471 HydrophobicContact CB-CG 3.64Å; E443-Q471 PolarHBondContact OE2-NE2 2.68Å; I459-Q471 PolarHBondContact O-NE2 3.46Å; Q468-Q471 CarbonylContact O-C 3.57Å; Q468-Q471 WeakPolarHBondContact O-CA 3.12Å; Q468-Q471 PolarHBondContact O-N 2.69Å; P469-Q471 VanDerWaalsContact C-N 3.26Å; P469-Q471 PolarHBondContact O-N 3.5Å
472	A	89.3	Confident	83.1	Confident	33 Å²	33	48 Å²	48	27%	0.273	28%	0.283	S	S	.	.			trans	-82.5	121.4	178.7	0	0	0	0	0	110.2	P467 Q468 P469 Q482	P467-A472 HydrophobicContact CB-CB 4.25Å; P467-A472 HydrophobicContact CG-CB 3.73Å; Q468-A472 PolarHBondContact O-N 3Å; P469-A472 PolarHBondContact O-N 3.41Å; A472-Q482 WeakPolarHBondContact O-CG 3.46Å; A472-Q482 PolarHBondContact O-NE2 3.25Å
473	W	90.2	Very high	83.3	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.8	-178.8	-64.9	95.1	0	0	0	110.9	P432 G433 I435 L442 L455 F475 I480 Q481 Q482 L503	P432-W473 CarbonylContact C-O 3.52Å; P432-W473 WeakPolarHBondContact CA-O 3.2Å; G433-W473 PolarHBondContact N-O 3.38Å; G433-W473 PolarHBondContact O-N 3.08Å; I435-W473 HydrophobicContact CD1-CB 4.35Å; I435-W473 HydrophobicContact CD1-CD2 4.13Å; I435-W473 HydrophobicContact CD1-CG 3.92Å; I435-W473 HydrophobicContact CG1-CG 4.24Å; L442-W473 HydrophobicContact CD2-CD2 4.5Å; L442-W473 HydrophobicContact CD2-CH2 4.17Å; L442-W473 HydrophobicContact CD2-CZ2 3.68Å; L442-W473 HydrophobicContact CG-CZ2 3.67Å; L442-W473 PolarHBondContact O-NE1 2.98Å; L455-W473 HydrophobicContact CD2-CH2 3.7Å; L455-W473 HydrophobicContact CD2-CZ2 4.1Å; W473-F475 HydrophobicContact CB-CE1 4.33Å; W473-F475 HydrophobicContact CB-CZ 4.12Å; W473-I480 HydrophobicContact CD2-CG2 4.25Å; W473-I480 HydrophobicContact CE3-CG2 3.6Å; W473-I480 HydrophobicContact CZ3-CG2 4.14Å; W473-Q481 CarbonylContact C-O 3.53Å; W473-Q481 WeakPolarHBondContact CA-O 3.32Å; W473-Q482 HydrophobicContact CD2-CB 4.32Å; W473-Q482 HydrophobicContact CE3-CB 3.63Å; W473-Q482 HydrophobicContact CH2-CB 4.04Å; W473-Q482 HydrophobicContact CZ3-CB 3.48Å; W473-Q482 VanDerWaalsContact CZ3-CB 3.48Å; W473-Q482 HydrophobicContact CZ3-CG 4.47Å; W473-L503 HydrophobicContact CH2-CD1 4.12Å; W473-L503 HydrophobicContact CH2-CD2 4.11Å; W473-L503 HydrophobicContact CH2-CG 4.47Å; W473-L503 HydrophobicContact CZ3-CD2 3.93Å
474	L	87.8	Confident	83.4	Confident	68 Å²	68	50.7 Å²	50.7	36%	0.356	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.7	173.8	-78.1	168.8	0	0	0	108.5	A430 P432 Q481	A430-L474 HydrophobicContact CB-CB 4Å; A430-L474 HydrophobicContact CB-CD2 4.06Å; P432-L474 HydrophobicContact CB-CD2 4.03Å; L474-Q481 HydrophobicContact CB-CB 4.09Å; L474-Q481 PolarHBondContact N-O 3.36Å; L474-Q481 PolarHBondContact O-N 3.02Å
475	F	83.3	Confident	84	Confident	24 Å²	24	51.4 Å²	51.4	11%	0.105	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.6	-179.4	-56.8	-70.7	0	0	0	110.3	A430 L431 I435 W473 I480 L554	A430-F475 CarbonylContact C-O 3.55Å; A430-F475 VanDerWaalsContact CA-O 3.26Å; A430-F475 WeakPolarHBondContact CA-O 3.4Å; L431-F475 HydrophobicContact CB-CB 4.43Å; L431-F475 PolarHBondContact N-O 2.94Å; L431-F475 WeakPolarHBondContact O-CD2 3.23Å; L431-F475 PolarHBondContact O-N 2.92Å; I435-F475 HydrophobicContact CD1-CE1 3.7Å; I435-F475 HydrophobicContact CD1-CZ 4.2Å; I435-F475 HydrophobicContact CG1-CE1 3.4Å; I435-F475 VanDerWaalsContact CG1-CE1 3.4Å; I435-F475 HydrophobicContact CG1-CZ 3.45Å; I435-F475 VanDerWaalsContact CG1-CZ 3.45Å; W473-F475 HydrophobicContact CB-CE1 4.33Å; W473-F475 HydrophobicContact CB-CZ 4.12Å; F475-I480 HydrophobicContact CD1-CG1 4.47Å; F475-L554 HydrophobicContact CD1-CD2 3.54Å; F475-L554 HydrophobicContact CD1-CG 4.29Å; F475-L554 HydrophobicContact CE1-CB 4.37Å; F475-L554 HydrophobicContact CE1-CD2 3.36Å; F475-L554 HydrophobicContact CE1-CG 3.61Å; F475-L554 HydrophobicContact CG-CD2 4.26Å; F475-L554 HydrophobicContact CZ-CB 4.14Å; F475-L554 HydrophobicContact CZ-CD2 3.98Å; F475-L554 HydrophobicContact CZ-CG 3.82Å
476	S	78.3	Confident	84.7	Confident	30 Å²	30	45.4 Å²	45.4	21%	0.21	26%	0.257	C	S	.	.			trans	-101.8	163.4	159.8	-168.7	0	0	0	0	109	K428 H478 L479	K428-S476 PolarHBondContact O-OG 2.82Å; S476-H478 PolarHBondContact O-N 3.15Å; S476-L479 PolarHBondContact N-O 3.48Å; S476-L479 PolarHBondContact O-N 2.85Å; S476-L479 VanDerWaalsContact O-O 3.08Å
477	D	69.1	Low	85.3	Confident	68 Å²	68	39.2 Å²	39.2	36%	0.364	22%	0.224	S	C	.	.	S	Bend	trans	-55.2	-27.9	-173.8	-149.6	26.3	0	0	0	113.6	K428	K428-D477 HydrophobicContact CD-CB 3.72Å; K428-D477 WeakPolarHBondContact CD-OD2 3.05Å; K428-D477 IonicContact NZ-OD1 2.83Å; K428-D477 IonicContact NZ-OD2 3.87Å; K428-D477 PolarHBondContact NZ-OD2 2.91Å
478	H	82	Confident	85.9	Confident	53 Å²	53	37.9 Å²	37.9	25%	0.245	22%	0.215	C	C	.	.	S	Bend	trans	-124.9	-5.7	179.7	-58.6	-33.4	0	0	0	114.4	Q380 S476 K514 W515	Q380-H478 PolarHBondContact NE2-NE2 2.86Å; Q380-H478 VanDerWaalsContact NE2-NE2 3.15Å; S476-H478 PolarHBondContact O-N 3.15Å; H478-K514 CarbonylContact O-C 3.59Å; H478-K514 VanDerWaalsContact O-CA 3.24Å; H478-K514 WeakPolarHBondContact O-CA 3.48Å; H478-W515 VanDerWaalsContact CA-O 3.31Å; H478-W515 WeakPolarHBondContact CA-O 3.42Å; H478-W515 PolarHBondContact O-N 2.67Å
479	L	88.2	Confident	86.1	Confident	21 Å²	21	33.1 Å²	33.1	11%	0.11	19%	0.193	C	C	.	.			trans	-130.9	136.4	-173.8	-61	175	0	0	0	110.1	S476 Q481 Q513	S476-L479 PolarHBondContact N-O 3.48Å; S476-L479 PolarHBondContact O-N 2.85Å; S476-L479 VanDerWaalsContact O-O 3.08Å; L479-Q481 HydrophobicContact CB-CG 3.9Å; L479-Q513 HydrophobicContact CD2-CB 3.91Å; L479-Q513 WeakPolarHBondContact CD2-O 3.47Å
480	I	90.9	Very high	86.2	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.051	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.2	168.9	-62.5	173.5	0	0	0	106.3	I435 W473 F475 C486 L487 W515 I522	I435-I480 HydrophobicContact CD1-CD1 4.43Å; I435-I480 HydrophobicContact CD1-CG2 3.67Å; W473-I480 HydrophobicContact CD2-CG2 4.25Å; W473-I480 HydrophobicContact CE3-CG2 3.6Å; W473-I480 HydrophobicContact CZ3-CG2 4.14Å; F475-I480 HydrophobicContact CD1-CG1 4.47Å; I480-C486 WeakPolarHBondContact O-CA 2.98Å; I480-L487 HydrophobicContact CB-CB 4.03Å; I480-L487 HydrophobicContact CB-CD2 4.34Å; I480-L487 HydrophobicContact CD1-CD2 4.01Å; I480-L487 HydrophobicContact CG2-CB 4.39Å; I480-L487 HydrophobicContact CG2-CD2 4.48Å; I480-L487 PolarHBondContact O-N 3.2Å; I480-W515 HydrophobicContact CD1-CB 4.15Å; I480-W515 HydrophobicContact CD1-CG 4.34Å; I480-W515 HydrophobicContact CG1-CB 4.46Å; I480-I522 HydrophobicContact CD1-CD1 4.31Å; I480-I522 HydrophobicContact CD1-CG2 3.76Å
481	Q	89.1	Confident	85.8	Confident	41 Å²	41	32.7 Å²	32.7	19%	0.192	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.9	-167.9	-40.6	-177.9	23.5	0	0	112.5	W473 L474 L479 K485	W473-Q481 CarbonylContact C-O 3.53Å; W473-Q481 WeakPolarHBondContact CA-O 3.32Å; L474-Q481 HydrophobicContact CB-CB 4.09Å; L474-Q481 PolarHBondContact N-O 3.36Å; L474-Q481 PolarHBondContact O-N 3.02Å; L479-Q481 HydrophobicContact CB-CG 3.9Å; Q481-K485 CarbonylContact C-O 3.38Å; Q481-K485 WeakPolarHBondContact CA-O 3.22Å
482	Q	88.2	Confident	85.1	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	126.6	170.6	-178.3	174	72.7	0	0	108.8	S444 P469 A470 A472 W473 G484 K485	S444-Q482 PolarHBondContact OG-OE1 3.32Å; P469-Q482 PolarHBondContact O-NE2 3.31Å; A470-Q482 VanDerWaalsContact C-NE2 3.28Å; A470-Q482 PolarHBondContact O-NE2 3.18Å; A472-Q482 WeakPolarHBondContact O-CG 3.46Å; A472-Q482 PolarHBondContact O-NE2 3.25Å; W473-Q482 HydrophobicContact CD2-CB 4.32Å; W473-Q482 HydrophobicContact CE3-CB 3.63Å; W473-Q482 HydrophobicContact CH2-CB 4.04Å; W473-Q482 HydrophobicContact CZ3-CB 3.48Å; W473-Q482 VanDerWaalsContact CZ3-CB 3.48Å; W473-Q482 HydrophobicContact CZ3-CG 4.47Å; Q482-G484 VanDerWaalsContact C-N 3.3Å; Q482-G484 PolarHBondContact O-N 3.29Å; Q482-K485 PolarHBondContact N-O 3.19Å; Q482-K485 WeakPolarHBondContact O-CB 3.21Å; Q482-K485 PolarHBondContact O-N 2.86Å
483	Q	80.1	Confident	84.4	Confident	135 Å²	135	38.6 Å²	38.6	63%	0.631	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	43.6	177.5	-58.5	178.1	10.2	0	0	114.2	K485	Q483-K485 PolarHBondContact O-N 2.88Å
484	G	76.6	Confident	83.1	Confident	49 Å²	49	45.2 Å²	45.2	51%	0.505	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	5.1	179.9	0	0	0	0	0	115.3	Q482 C506	Q482-G484 VanDerWaalsContact C-N 3.3Å; Q482-G484 PolarHBondContact O-N 3.29Å; G484-C506 PolarHBondContact O-N 3.43Å
485	K	87.2	Confident	81.9	Confident	38 Å²	38	46.9 Å²	46.9	17%	0.165	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.1	175.1	-61.1	-172.3	179.6	-163	0	111	F453 Q481 Q482 Q483 L503 Q504 M505	F453-K485 HydrophobicContact CD2-CD 4.06Å; F453-K485 HydrophobicContact CE2-CD 4.3Å; Q481-K485 CarbonylContact C-O 3.38Å; Q481-K485 WeakPolarHBondContact CA-O 3.22Å; Q482-K485 PolarHBondContact N-O 3.19Å; Q482-K485 WeakPolarHBondContact O-CB 3.21Å; Q482-K485 PolarHBondContact O-N 2.86Å; Q483-K485 PolarHBondContact O-N 2.88Å; K485-L503 HydrophobicContact CB-CB 4.27Å; K485-L503 HydrophobicContact CB-CD2 4.24Å; K485-L503 HydrophobicContact CD-CB 4.45Å; K485-Q504 CarbonylContact C-O 3.57Å; K485-Q504 WeakPolarHBondContact CA-O 3.45Å; K485-Q504 VanDerWaalsContact CB-O 3.29Å; K485-Q504 WeakPolarHBondContact CB-O 3.36Å; K485-M505 HydrophobicContact CG-SD 4.25Å
486	C	90.1	Very high	81.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.8	-176	-78.7	0	0	0	0	110.3	I480 A488 Q504 C506 Q513	I480-C486 WeakPolarHBondContact O-CA 2.98Å; C486-A488 PolarHBondContact O-N 2.57Å; C486-Q504 PolarHBondContact N-O 3.47Å; C486-Q504 PolarHBondContact O-N 3.46Å; C486-Q504 VanDerWaalsContact O-N 3.09Å; C486-C506 VanDerWaalsContact CA-SG 3.57Å; C486-C506 HydrophobicContact CB-CB 4.04Å; C486-C506 WeakPolarHBondContact CB-SG 3.28Å; C486-C506 PolarHBondContact N-SG 3.19Å; C486-C506 VanDerWaalsContact SG-CA 3.53Å; C486-C506 WeakPolarHBondContact SG-CB 3.46Å; C486-C506 CovalentContact SG-SG 2.05Å; C486-C506 PolarHBondContact SG-SG 3.2Å; C486-Q513 HydrophobicContact CB-CB 4.28Å; C486-Q513 HydrophobicContact CB-CG 4.27Å
487	L	91.8	Very high	81.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	124.5	171.3	-166	72.3	0	0	0	109.3	L455 I480 V501 Q513 W515 L531	L455-L487 HydrophobicContact CD1-CD1 3.32Å; I480-L487 HydrophobicContact CB-CB 4.03Å; I480-L487 HydrophobicContact CB-CD2 4.34Å; I480-L487 HydrophobicContact CD1-CD2 4.01Å; I480-L487 HydrophobicContact CG2-CB 4.39Å; I480-L487 HydrophobicContact CG2-CD2 4.48Å; I480-L487 PolarHBondContact O-N 3.2Å; L487-V501 HydrophobicContact CD1-CG1 3.39Å; L487-V501 HydrophobicContact CD2-CG1 4.16Å; L487-V501 HydrophobicContact CG-CG1 3.52Å; L487-Q513 WeakPolarHBondContact O-CA 3.38Å; L487-W515 HydrophobicContact CD2-CD2 4.19Å; L487-W515 HydrophobicContact CD2-CZ2 4.04Å; L487-W515 HydrophobicContact CG-CZ2 4.08Å; L487-W515 PolarHBondContact O-NE1 3.11Å; L487-L531 HydrophobicContact CD2-CD2 4.25Å
488	A	91.5	Very high	82.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.5	-173	0	0	0	0	0	111.4	C486 V501 I502 Q504 K512 Q513	C486-A488 PolarHBondContact O-N 2.57Å; A488-V501 WeakPolarHBondContact O-CA 3.2Å; A488-I502 HydrophobicContact CB-CG1 4.44Å; A488-I502 PolarHBondContact N-O 3.09Å; A488-I502 PolarHBondContact O-N 2.73Å; A488-Q504 HydrophobicContact CB-CB 4.4Å; A488-Q504 HydrophobicContact CB-CG 4.39Å; A488-K512 WeakPolarHBondContact CA-O 3.43Å; A488-K512 HydrophobicContact CB-CG 4.33Å; A488-Q513 HydrophobicContact CB-CG 3.98Å
489	A	90.4	Very high	82.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.9	166.9	0	0	0	0	0	109.5	S491 K512 W515 T540	A489-S491 PolarHBondContact O-N 3.21Å; A489-K512 PolarHBondContact N-O 3.11Å; A489-K512 WeakPolarHBondContact O-CB 3.45Å; A489-W515 HydrophobicContact CB-CH2 4.37Å; A489-W515 HydrophobicContact CB-CZ2 4.21Å; A489-T540 HydrophobicContact CB-CG2 3.93Å
490	T	87.1	Confident	82.8	Confident	74 Å²	74	47.5 Å²	47.5	45%	0.454	29%	0.289	S	S	.	.	S	Bend	trans	-66	-25.9	179.3	47.6	0	0	0	0	113.3	P500 I502	T490-P500 WeakPolarHBondContact CB-O 3.28Å; T490-P500 HydrophobicContact CG2-CB 4.3Å; T490-P500 WeakPolarHBondContact CG2-O 3.45Å; T490-P500 PolarHBondContact N-O 3.14Å; T490-P500 WeakPolarHBondContact OG1-CD 3.2Å; T490-P500 PolarHBondContact OG1-O 2.92Å; T490-I502 HydrophobicContact CG2-CD1 3.78Å; T490-I502 HydrophobicContact CG2-CG1 4.01Å; T490-I502 HydrophobicContact CG2-CG2 4.42Å
491	S	79.6	Confident	82.8	Confident	29 Å²	29	47.4 Å²	47.4	20%	0.203	29%	0.289	C	S	.	.			trans	-127.4	144.8	171.6	-175.4	0	0	0	0	111	A489 L493 S499	A489-S491 PolarHBondContact O-N 3.21Å; S491-L493 PolarHBondContact OG-N 3.29Å; S491-S499 VanDerWaalsContact CB-OG 3.28Å; S491-S499 WeakPolarHBondContact CB-OG 3.39Å
492	T	77	Confident	82.8	Confident	58 Å²	58	46.9 Å²	46.9	36%	0.356	29%	0.287	S	S	.	.			trans	-104.7	-1.7	177.1	54.3	0	0	0	0	112.5	K512 S527	T492-K512 HydrophobicContact CG2-CB 3.59Å; T492-S527 VanDerWaalsContact O-CB 3.31Å; T492-S527 WeakPolarHBondContact O-CB 3.43Å
493	L	74.3	Confident	82.9	Confident	103 Å²	103	46.7 Å²	46.7	54%	0.539	29%	0.287	S	S	.	.			trans	-75.4	127.2	-178.3	-64.1	175.4	0	0	0	111.2	S491 S495 S496	S491-L493 PolarHBondContact OG-N 3.29Å; L493-S495 PolarHBondContact O-N 3.38Å; L493-S496 PolarHBondContact O-N 2.98Å; L493-S496 VanDerWaalsContact O-N 3.17Å
494	M	63.2	Low	83.2	Confident	141 Å²	141	43 Å²	43	70%	0.695	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.3	-179.7	-164.7	163.1	92.3	0	0	113.1	S527	M494-S527 WeakPolarHBondContact CG-O 3.24Å
495	S	62.8	Low	83.5	Confident	103 Å²	103	47.3 Å²	47.3	72%	0.72	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.3	178.8	52.3	0	0	0	0	114.8	L493 P497	L493-S495 PolarHBondContact O-N 3.38Å; S495-P497 WeakPolarHBondContact O-CD 3.22Å
496	S	74.9	Confident	83.3	Confident	42 Å²	42	47.4 Å²	47.4	29%	0.294	28%	0.283	S	S	.	.			trans	-115.2	62.2	-178.4	-58.5	0	0	0	0	112.5	L493 S499	L493-S496 PolarHBondContact O-N 2.98Å; L493-S496 VanDerWaalsContact O-N 3.17Å; S496-S499 PolarHBondContact O-OG 2.81Å
497	P	82.7	Confident	82.8	Confident	68 Å²	68	50.7 Å²	50.7	44%	0.442	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	153.2	171.8	30.6	-34.1	0	0	0	110.6	S495 T540	S495-P497 WeakPolarHBondContact O-CD 3.22Å; P497-T540 CarbonylContact C-O 3.56Å; P497-T540 WeakPolarHBondContact CA-O 3.13Å
498	G	84.9	Confident	81.7	Confident	37 Å²	37	55 Å²	55	38%	0.381	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	4.3	-173.2	0	0	0	0	0	114.2	P500 V539 T540	G498-P500 WeakPolarHBondContact O-CD 3.46Å; G498-V539 WeakPolarHBondContact O-CG1 3.22Å; G498-T540 PolarHBondContact N-O 3.01Å
499	S	87.6	Confident	80.4	Confident	15 Å²	15	63.8 Å²	63.8	11%	0.105	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126.6	179.6	-61.9	0	0	0	0	110.7	S491 S496 V539 T540	S491-S499 VanDerWaalsContact CB-OG 3.28Å; S491-S499 WeakPolarHBondContact CB-OG 3.39Å; S496-S499 PolarHBondContact O-OG 2.81Å; S499-V539 CarbonylContact O-C 3.49Å; S499-V539 VanDerWaalsContact O-CA 3.3Å; S499-V539 WeakPolarHBondContact O-CA 3.4Å; S499-T540 WeakPolarHBondContact CB-OG1 3.18Å; S499-T540 PolarHBondContact O-N 3.03Å; S499-T540 PolarHBondContact O-OG1 2.77Å
500	P	89.3	Confident	79.8	Confident	47 Å²	47	66.8 Å²	66.8	31%	0.305	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	147.1	179.2	-26.1	33.6	0	0	0	113	T490 G498	T490-P500 WeakPolarHBondContact CB-O 3.28Å; T490-P500 HydrophobicContact CG2-CB 4.3Å; T490-P500 WeakPolarHBondContact CG2-O 3.45Å; T490-P500 PolarHBondContact N-O 3.14Å; T490-P500 WeakPolarHBondContact OG1-CD 3.2Å; T490-P500 PolarHBondContact OG1-O 2.92Å; G498-P500 WeakPolarHBondContact O-CD 3.46Å
501	V	91.1	Very high	79.5	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.042	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.5	173.5	-179.3	0	0	0	0	108.9	L455 L487 A488 W515 L531 L538 T540	L455-V501 HydrophobicContact CD1-CG1 4.29Å; L487-V501 HydrophobicContact CD1-CG1 3.39Å; L487-V501 HydrophobicContact CD2-CG1 4.16Å; L487-V501 HydrophobicContact CG-CG1 3.52Å; A488-V501 WeakPolarHBondContact O-CA 3.2Å; V501-W515 HydrophobicContact CG1-CH2 4.25Å; V501-W515 HydrophobicContact CG1-CZ2 3.94Å; V501-W515 HydrophobicContact CG2-CH2 3.89Å; V501-W515 HydrophobicContact CG2-CZ2 4.28Å; V501-L531 HydrophobicContact CB-CD1 4.1Å; V501-L531 HydrophobicContact CG1-CD1 4.09Å; V501-L531 HydrophobicContact CG2-CD1 3.74Å; V501-L538 HydrophobicContact CB-CB 4.17Å; V501-L538 PolarHBondContact N-O 3.32Å; V501-T540 HydrophobicContact CG2-CG2 3.85Å
502	I	89.3	Confident	79.9	Confident	31 Å²	31	65 Å²	65	16%	0.159	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	168.7	-172.7	57.6	172.5	0	0	0	111	A488 T490 Q504	A488-I502 HydrophobicContact CB-CG1 4.44Å; A488-I502 PolarHBondContact N-O 3.09Å; A488-I502 PolarHBondContact O-N 2.73Å; T490-I502 HydrophobicContact CG2-CD1 3.78Å; T490-I502 HydrophobicContact CG2-CG1 4.01Å; T490-I502 HydrophobicContact CG2-CG2 4.42Å; I502-Q504 HydrophobicContact CD1-CG 3.77Å; I502-Q504 HydrophobicContact CG1-CG 4.06Å
503	L	88.5	Confident	80.5	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.4	170.4	-79.8	172.6	0	0	0	111.2	F453 L455 W473 K485	F453-L503 HydrophobicContact CB-CB 3.96Å; F453-L503 HydrophobicContact CB-CD1 4.01Å; L455-L503 HydrophobicContact CD1-CG 4.24Å; L455-L503 HydrophobicContact CD2-CD1 3.69Å; L455-L503 HydrophobicContact CD2-CG 3.82Å; L455-L503 HydrophobicContact CG-CD1 4.41Å; L455-L503 HydrophobicContact CG-CG 4.18Å; W473-L503 HydrophobicContact CH2-CD1 4.12Å; W473-L503 HydrophobicContact CH2-CD2 4.11Å; W473-L503 HydrophobicContact CH2-CG 4.47Å; W473-L503 HydrophobicContact CZ3-CD2 3.93Å; K485-L503 HydrophobicContact CB-CB 4.27Å; K485-L503 HydrophobicContact CB-CD2 4.24Å; K485-L503 HydrophobicContact CD-CB 4.45Å
504	Q	86.3	Confident	81.2	Confident	58 Å²	58	59.5 Å²	59.5	27%	0.271	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	164.9	176.7	-67.8	-171.1	-26.9	0	0	111.3	K485 C486 A488 I502 C506	K485-Q504 CarbonylContact C-O 3.57Å; K485-Q504 WeakPolarHBondContact CA-O 3.45Å; K485-Q504 VanDerWaalsContact CB-O 3.29Å; K485-Q504 WeakPolarHBondContact CB-O 3.36Å; C486-Q504 PolarHBondContact N-O 3.47Å; C486-Q504 PolarHBondContact O-N 3.46Å; C486-Q504 VanDerWaalsContact O-N 3.09Å; A488-Q504 HydrophobicContact CB-CB 4.4Å; A488-Q504 HydrophobicContact CB-CG 4.39Å; I502-Q504 HydrophobicContact CD1-CG 3.77Å; I502-Q504 HydrophobicContact CG1-CG 4.06Å; Q504-C506 PolarHBondContact O-N 3.22Å
505	M	83.5	Confident	82.5	Confident	138 Å²	138	53 Å²	53	68%	0.68	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.6	132.4	174	-71.4	-60.3	-171.4	0	0	110.6	K485 N507 Q513	K485-M505 HydrophobicContact CG-SD 4.25Å; M505-N507 PolarHBondContact O-N 3.06Å; M505-Q513 PolarHBondContact O-NE2 2.94Å
506	C	82.8	Confident	83.8	Confident	41 Å²	41	53.6 Å²	53.6	28%	0.277	29%	0.286	S	S	.	.			trans	-62.2	122.5	-178.1	-75.9	0	0	0	0	111.1	G484 C486 Q504	G484-C506 PolarHBondContact O-N 3.43Å; C486-C506 VanDerWaalsContact CA-SG 3.57Å; C486-C506 HydrophobicContact CB-CB 4.04Å; C486-C506 WeakPolarHBondContact CB-SG 3.28Å; C486-C506 PolarHBondContact N-SG 3.19Å; C486-C506 VanDerWaalsContact SG-CA 3.53Å; C486-C506 WeakPolarHBondContact SG-CB 3.46Å; C486-C506 CovalentContact SG-SG 2.05Å; C486-C506 PolarHBondContact SG-SG 3.2Å; Q504-C506 PolarHBondContact O-N 3.22Å
507	N	81.1	Confident	84.3	Confident	68 Å²	68	58.8 Å²	58.8	36%	0.364	30%	0.299	S	S	.	.			trans	-129.4	96.3	172.9	-175.5	-10.1	0	0	0	108.5	M505 R509 E510 Q513	M505-N507 PolarHBondContact O-N 3.06Å; N507-R509 PolarHBondContact O-N 3.39Å; N507-R509 WeakPolarHBondContact OD1-CB 3.13Å; N507-R509 PolarHBondContact OD1-N 3.06Å; N507-E510 HydrophobicContact CB-CB 4.08Å; N507-E510 WeakPolarHBondContact O-CB 3.46Å; N507-E510 PolarHBondContact O-N 2.74Å; N507-Q513 PolarHBondContact O-OE1 2.64Å
508	P	67	Low	84.3	Confident	90 Å²	90	61.7 Å²	61.7	58%	0.584	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20	-177.2	-24.1	33.1	0	0	0	114.4	E510	P508-E510 VanDerWaalsContact C-N 3.3Å
509	R	65.5	Low	84.4	Confident	185 Å²	185	62.7 Å²	62.7	70%	0.698	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.5	179	-60.9	-177.5	178.3	178.9	-0.6	112.8	R413 N507	R413-R509 PolarHBondContact NH2-O 3.02Å; N507-R509 PolarHBondContact O-N 3.39Å; N507-R509 WeakPolarHBondContact OD1-CB 3.13Å; N507-R509 PolarHBondContact OD1-N 3.06Å
510	E	76.3	Confident	84.4	Confident	63 Å²	63	64.1 Å²	64.1	29%	0.294	33%	0.325	S	S	.	.			trans	-94.2	120.3	-169.6	-151.6	171.1	-171.7	0	0	112	N507 P508 K512 Q513	N507-E510 HydrophobicContact CB-CB 4.08Å; N507-E510 WeakPolarHBondContact O-CB 3.46Å; N507-E510 PolarHBondContact O-N 2.74Å; P508-E510 VanDerWaalsContact C-N 3.3Å; E510-K512 VanDerWaalsContact CD-CD 3.49Å; E510-K512 HydrophobicContact CG-CD 3.95Å; E510-K512 HydrophobicContact CG-CG 3.88Å; E510-K512 PolarHBondContact O-N 3.2Å; E510-K512 VanDerWaalsContact OE1-CD 3.26Å; E510-K512 WeakPolarHBondContact OE1-CD 3.3Å; E510-K512 WeakPolarHBondContact OE1-CE 3.41Å; E510-K512 IonicContact OE1-NZ 2.67Å; E510-K512 PolarHBondContact OE1-NZ 2.78Å; E510-K512 WeakPolarHBondContact OE2-CE 3.21Å; E510-K512 IonicContact OE2-NZ 3.21Å; E510-K512 PolarHBondContact OE2-NZ 3.05Å; E510-Q513 PolarHBondContact O-N 3.08Å
511	G	81.2	Confident	84.5	Confident	25 Å²	25	63.4 Å²	63.4	26%	0.258	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-62.2	-29.3	-175.5	0	0	0	0	0	114	Q513 K514 H524 V526	G511-Q513 PolarHBondContact O-N 3.13Å; G511-Q513 VanDerWaalsContact O-N 3.15Å; G511-K514 WeakPolarHBondContact O-CB 3.45Å; G511-K514 PolarHBondContact O-N 2.9Å; G511-K514 VanDerWaalsContact O-N 3.09Å; G511-H524 PolarHBondContact O-NE2 2.89Å; G511-V526 VanDerWaalsContact O-CG2 3.3Å; G511-V526 WeakPolarHBondContact O-CG2 3.28Å
512	K	88.1	Confident	84.6	Confident	42 Å²	42	63.2 Å²	63.2	18%	0.183	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-66	-15.2	-176.7	81.1	-170.5	-170.8	-163.1	0	114.7	A488 A489 T492 E510 H524	A488-K512 WeakPolarHBondContact CA-O 3.43Å; A488-K512 HydrophobicContact CB-CG 4.33Å; A489-K512 PolarHBondContact N-O 3.11Å; A489-K512 WeakPolarHBondContact O-CB 3.45Å; T492-K512 HydrophobicContact CG2-CB 3.59Å; E510-K512 VanDerWaalsContact CD-CD 3.49Å; E510-K512 HydrophobicContact CG-CD 3.95Å; E510-K512 HydrophobicContact CG-CG 3.88Å; E510-K512 PolarHBondContact O-N 3.2Å; E510-K512 VanDerWaalsContact OE1-CD 3.26Å; E510-K512 WeakPolarHBondContact OE1-CD 3.3Å; E510-K512 WeakPolarHBondContact OE1-CE 3.41Å; E510-K512 IonicContact OE1-NZ 2.67Å; E510-K512 PolarHBondContact OE1-NZ 2.78Å; E510-K512 WeakPolarHBondContact OE2-CE 3.21Å; E510-K512 IonicContact OE2-NZ 3.21Å; E510-K512 PolarHBondContact OE2-NZ 3.05Å; K512-H524 WeakPolarHBondContact CA-NE2 3.44Å; K512-H524 PolarHBondContact O-NE2 2.91Å
513	Q	90.8	Very high	84.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-98.5	-0.7	179.3	-59.4	-174.5	-4.9	0	0	112.5	L479 C486 L487 A488 M505 N507 E510 G511	L479-Q513 HydrophobicContact CD2-CB 3.91Å; L479-Q513 WeakPolarHBondContact CD2-O 3.47Å; C486-Q513 HydrophobicContact CB-CB 4.28Å; C486-Q513 HydrophobicContact CB-CG 4.27Å; L487-Q513 WeakPolarHBondContact O-CA 3.38Å; A488-Q513 HydrophobicContact CB-CG 3.98Å; M505-Q513 PolarHBondContact O-NE2 2.94Å; N507-Q513 PolarHBondContact O-OE1 2.64Å; E510-Q513 PolarHBondContact O-N 3.08Å; G511-Q513 PolarHBondContact O-N 3.13Å; G511-Q513 VanDerWaalsContact O-N 3.15Å
514	K	89	Confident	85	Confident	44 Å²	44	62.3 Å²	62.3	19%	0.191	31%	0.311	C	S	.	.			trans	-87.7	118.5	-173	-63.6	-168.7	177.6	-171	0	111.4	H478 G511 H524 S525	H478-K514 CarbonylContact O-C 3.59Å; H478-K514 VanDerWaalsContact O-CA 3.24Å; H478-K514 WeakPolarHBondContact O-CA 3.48Å; G511-K514 WeakPolarHBondContact O-CB 3.45Å; G511-K514 PolarHBondContact O-N 2.9Å; G511-K514 VanDerWaalsContact O-N 3.09Å; K514-H524 PolarHBondContact O-CD2 3.36Å; K514-S525 PolarHBondContact O-N 3.38Å; K514-S525 PolarHBondContact O-OG 3.14Å
515	W	90.2	Very high	85	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155	177.7	-57.8	90.1	0	0	0	110.8	H478 I480 L487 A489 V501 I522 Q523 H524 L531 T540	H478-W515 VanDerWaalsContact CA-O 3.31Å; H478-W515 WeakPolarHBondContact CA-O 3.42Å; H478-W515 PolarHBondContact O-N 2.67Å; I480-W515 HydrophobicContact CD1-CB 4.15Å; I480-W515 HydrophobicContact CD1-CG 4.34Å; I480-W515 HydrophobicContact CG1-CB 4.46Å; L487-W515 HydrophobicContact CD2-CD2 4.19Å; L487-W515 HydrophobicContact CD2-CZ2 4.04Å; L487-W515 HydrophobicContact CG-CZ2 4.08Å; L487-W515 PolarHBondContact O-NE1 3.11Å; A489-W515 HydrophobicContact CB-CH2 4.37Å; A489-W515 HydrophobicContact CB-CZ2 4.21Å; V501-W515 HydrophobicContact CG1-CH2 4.25Å; V501-W515 HydrophobicContact CG1-CZ2 3.94Å; V501-W515 HydrophobicContact CG2-CH2 3.89Å; V501-W515 HydrophobicContact CG2-CZ2 4.28Å; W515-I522 HydrophobicContact CB-CG2 4.27Å; W515-I522 HydrophobicContact CD2-CG2 4.29Å; W515-I522 HydrophobicContact CE3-CG2 3.76Å; W515-I522 HydrophobicContact CZ3-CG2 4.48Å; W515-Q523 CarbonylContact C-O 3.58Å; W515-Q523 WeakPolarHBondContact CA-O 3.49Å; W515-H524 HydrophobicContact CE3-CB 3.84Å; W515-H524 HydrophobicContact CH2-CB 4.14Å; W515-H524 HydrophobicContact CZ3-CB 3.65Å; W515-L531 HydrophobicContact CH2-CD1 4.26Å; W515-L531 HydrophobicContact CZ3-CB 4.12Å; W515-L531 HydrophobicContact CZ3-CD1 4.48Å; W515-T540 HydrophobicContact CH2-CG2 3.7Å; W515-T540 HydrophobicContact CZ3-CG2 4.22Å
516	R	89	Confident	85.1	Confident	117 Å²	117	58.6 Å²	58.6	44%	0.442	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.1	173.8	65.9	-178.4	-176.7	-163.3	-4.2	110.8	Q523	R516-Q523 HydrophobicContact CG-CB 4.13Å; R516-Q523 VanDerWaalsContact CZ-OE1 3.26Å; R516-Q523 PolarHBondContact N-O 3.24Å; R516-Q523 PolarHBondContact O-N 2.58Å
517	R	86.9	Confident	85.2	Confident	151 Å²	151	56.7 Å²	56.7	57%	0.57	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.1	172.7	-172.6	177.1	178.4	171.7	0.9	109.9	G519 F521	R517-G519 WeakPolarHBondContact CG-O 3.35Å; R517-G519 PolarHBondContact NE-O 3.5Å; R517-F521 WeakPolarHBondContact CA-O 3.34Å
518	K	82.9	Confident	85.5	Confident	128 Å²	128	54.7 Å²	54.7	56%	0.557	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	90.7	172.5	-169.8	179.1	-179.4	-176.5	0	108.9	S520 F521	K518-S520 PolarHBondContact O-N 2.85Å; K518-F521 HydrophobicContact CB-CB 4.47Å; K518-F521 PolarHBondContact N-O 2.73Å; K518-F521 WeakPolarHBondContact O-CB 3.37Å; K518-F521 WeakPolarHBondContact O-CD2 3.5Å; K518-F521 PolarHBondContact O-N 3.14Å
519	G	85.4	Confident	86.8	Confident	59 Å²	59	50.8 Å²	50.8	61%	0.608	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-116.5	-169.6	0	0	0	0	0	111.1	R517	R517-G519 WeakPolarHBondContact CG-O 3.35Å; R517-G519 PolarHBondContact NE-O 3.5Å
520	S	88.2	Confident	88.2	Confident	45 Å²	45	42 Å²	42	32%	0.315	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.2	173.8	44.8	0	0	0	0	113.6	K518 Q551 W552	K518-S520 PolarHBondContact O-N 2.85Å; S520-Q551 PolarHBondContact OG-OE1 3.21Å; S520-W552 WeakPolarHBondContact O-CA 3.35Å; S520-W552 WeakPolarHBondContact O-CB 3.36Å; S520-W552 PolarHBondContact O-N 2.86Å
521	F	92.2	Very high	89	Confident	32 Å²	32	39 Å²	39	14%	0.14	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	145.6	176.7	-64.8	-79.8	0	0	0	112.4	R517 K518 C530 Q544 Q550	R517-F521 WeakPolarHBondContact CA-O 3.34Å; K518-F521 HydrophobicContact CB-CB 4.47Å; K518-F521 PolarHBondContact N-O 2.73Å; K518-F521 WeakPolarHBondContact O-CB 3.37Å; K518-F521 WeakPolarHBondContact O-CD2 3.5Å; K518-F521 PolarHBondContact O-N 3.14Å; F521-C530 HydrophobicContact CD1-CB 4.24Å; F521-Q544 VanDerWaalsContact CE1-O 3.31Å; F521-Q544 WeakPolarHBondContact CE1-O 3.17Å; F521-Q544 VanDerWaalsContact CZ-O 3.28Å; F521-Q544 WeakPolarHBondContact CZ-O 3.01Å; F521-Q550 HydrophobicContact CD1-CB 3.94Å; F521-Q550 WeakPolarHBondContact CD1-O 3.27Å; F521-Q550 HydrophobicContact CE1-CB 3.71Å
522	I	93.6	Very high	89.6	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.8	160.7	-61.2	172.6	0	0	0	106.6	I435 I480 W515 C530 L531 W552 L554	I435-I522 HydrophobicContact CG2-CD1 3.96Å; I480-I522 HydrophobicContact CD1-CD1 4.31Å; I480-I522 HydrophobicContact CD1-CG2 3.76Å; W515-I522 HydrophobicContact CB-CG2 4.27Å; W515-I522 HydrophobicContact CD2-CG2 4.29Å; W515-I522 HydrophobicContact CE3-CG2 3.76Å; W515-I522 HydrophobicContact CZ3-CG2 4.48Å; I522-C530 WeakPolarHBondContact O-CA 3.31Å; I522-L531 HydrophobicContact CB-CB 4.08Å; I522-L531 HydrophobicContact CB-CD2 4.34Å; I522-L531 HydrophobicContact CD1-CD2 4.09Å; I522-L531 HydrophobicContact CG2-CB 4.23Å; I522-L531 HydrophobicContact CG2-CD2 4.26Å; I522-L531 PolarHBondContact O-N 3.4Å; I522-W552 HydrophobicContact CD1-CB 3.83Å; I522-W552 HydrophobicContact CD1-CD2 4.04Å; I522-W552 HydrophobicContact CD1-CG 3.68Å; I522-W552 HydrophobicContact CG1-CB 3.98Å; I522-W552 HydrophobicContact CG1-CG 3.93Å; I522-L554 HydrophobicContact CD1-CD1 3.99Å; I522-L554 HydrophobicContact CG1-CD1 4.06Å
523	Q	93.1	Very high	89.9	Confident	15 Å²	15	38 Å²	38	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133	-175.7	-170.3	179.6	41.8	0	0	110.6	W515 R516 S525 G528 L529	W515-Q523 CarbonylContact C-O 3.58Å; W515-Q523 WeakPolarHBondContact CA-O 3.49Å; R516-Q523 HydrophobicContact CG-CB 4.13Å; R516-Q523 VanDerWaalsContact CZ-OE1 3.26Å; R516-Q523 PolarHBondContact N-O 3.24Å; R516-Q523 PolarHBondContact O-N 2.58Å; Q523-S525 PolarHBondContact O-N 2.93Å; Q523-G528 PolarHBondContact NE2-O 3.44Å; Q523-L529 CarbonylContact C-O 3.57Å; Q523-L529 WeakPolarHBondContact CA-O 3.18Å; Q523-L529 WeakPolarHBondContact CG-O 3.21Å
524	H	92.6	Very high	89.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.6	171.8	-178	-117.9	0	0	0	109.7	G511 K512 K514 W515 V526 S527 G528 L529	G511-H524 PolarHBondContact O-NE2 2.89Å; K512-H524 WeakPolarHBondContact CA-NE2 3.44Å; K512-H524 PolarHBondContact O-NE2 2.91Å; K514-H524 PolarHBondContact O-CD2 3.36Å; W515-H524 HydrophobicContact CE3-CB 3.84Å; W515-H524 HydrophobicContact CH2-CB 4.14Å; W515-H524 HydrophobicContact CZ3-CB 3.65Å; H524-V526 VanDerWaalsContact C-N 3.32Å; H524-V526 PolarHBondContact O-N 3.15Å; H524-S527 WeakPolarHBondContact ND1-CB 3.5Å; H524-S527 PolarHBondContact ND1-N 3.07Å; H524-S527 VanDerWaalsContact ND1-N 3.17Å; H524-S527 PolarHBondContact ND1-OG 2.78Å; H524-G528 WeakPolarHBondContact O-CA 3.3Å; H524-G528 PolarHBondContact O-N 2.87Å; H524-L529 PolarHBondContact N-O 2.71Å
525	S	86.3	Confident	89.3	Confident	38 Å²	38	47.3 Å²	47.3	27%	0.266	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-28.2	-167.9	-64.3	0	0	0	0	113.4	K514 Q523	K514-S525 PolarHBondContact O-N 3.38Å; K514-S525 PolarHBondContact O-OG 3.14Å; Q523-S525 PolarHBondContact O-N 2.93Å
526	V	84.9	Confident	88.6	Confident	80 Å²	80	51.8 Å²	51.8	49%	0.485	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-50.6	-178.8	-180	0	0	0	0	111.9	G511 H524	G511-V526 VanDerWaalsContact O-CG2 3.3Å; G511-V526 WeakPolarHBondContact O-CG2 3.28Å; H524-V526 VanDerWaalsContact C-N 3.32Å; H524-V526 PolarHBondContact O-N 3.15Å
527	S	85.7	Confident	88.5	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.014	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.9	-176	69.3	0	0	0	0	113.5	T492 M494 H524 L529	T492-S527 VanDerWaalsContact O-CB 3.31Å; T492-S527 WeakPolarHBondContact O-CB 3.43Å; M494-S527 WeakPolarHBondContact CG-O 3.24Å; H524-S527 WeakPolarHBondContact ND1-CB 3.5Å; H524-S527 PolarHBondContact ND1-N 3.07Å; H524-S527 VanDerWaalsContact ND1-N 3.17Å; H524-S527 PolarHBondContact ND1-OG 2.78Å; S527-L529 PolarHBondContact O-N 3.03Å; S527-L529 WeakPolarHBondContact OG-CB 3.36Å; S527-L529 PolarHBondContact OG-N 3.22Å
528	G	87.8	Confident	88.7	Confident	26 Å²	26	43.7 Å²	43.7	27%	0.268	27%	0.269	S	S	.	.			trans	70.1	5.4	-173.5	0	0	0	0	0	114.6	Q523 H524 C543	Q523-G528 PolarHBondContact NE2-O 3.44Å; H524-G528 WeakPolarHBondContact O-CA 3.3Å; H524-G528 PolarHBondContact O-N 2.87Å; G528-C543 PolarHBondContact O-SG 2.7Å; G528-C543 VanDerWaalsContact O-SG 3.42Å
529	L	92.8	Very high	89.2	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.037	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-79.4	153	175.6	-60.9	177.3	0	0	0	111.1	Q523 H524 S527 S541 K542	Q523-L529 CarbonylContact C-O 3.57Å; Q523-L529 WeakPolarHBondContact CA-O 3.18Å; Q523-L529 WeakPolarHBondContact CG-O 3.21Å; H524-L529 PolarHBondContact N-O 2.71Å; S527-L529 PolarHBondContact O-N 3.03Å; S527-L529 WeakPolarHBondContact OG-CB 3.36Å; S527-L529 PolarHBondContact OG-N 3.22Å; L529-S541 CarbonylContact C-O 3.55Å; L529-S541 WeakPolarHBondContact CA-O 3.34Å; L529-S541 WeakPolarHBondContact CB-O 3.15Å; L529-K542 HydrophobicContact CD2-CG 4.24Å
530	C	94.5	Very high	89.6	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.007	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	146.5	179.6	-76.4	0	0	0	0	111.6	F521 I522 E532 T540 S541 C543	F521-C530 HydrophobicContact CD1-CB 4.24Å; I522-C530 WeakPolarHBondContact O-CA 3.31Å; C530-E532 PolarHBondContact O-N 3.3Å; C530-T540 CarbonylContact O-C 3.11Å; C530-T540 WeakPolarHBondContact O-CA 3.25Å; C530-S541 PolarHBondContact N-O 3.48Å; C530-S541 PolarHBondContact O-N 2.93Å; C530-C543 HydrophobicContact CB-CB 3.93Å; C530-C543 WeakPolarHBondContact CB-SG 3.46Å; C530-C543 PolarHBondContact N-SG 2.96Å; C530-C543 VanDerWaalsContact N-SG 3.4Å; C530-C543 WeakPolarHBondContact SG-CB 3.24Å; C530-C543 CovalentContact SG-SG 2.04Å; C530-C543 PolarHBondContact SG-SG 2.91Å
531	L	94.6	Very high	89.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	126	171.4	-174.7	67.9	0	0	0	109.7	L487 V501 W515 I522 L538 W552	L487-L531 HydrophobicContact CD2-CD2 4.25Å; V501-L531 HydrophobicContact CB-CD1 4.1Å; V501-L531 HydrophobicContact CG1-CD1 4.09Å; V501-L531 HydrophobicContact CG2-CD1 3.74Å; W515-L531 HydrophobicContact CH2-CD1 4.26Å; W515-L531 HydrophobicContact CZ3-CB 4.12Å; W515-L531 HydrophobicContact CZ3-CD1 4.48Å; I522-L531 HydrophobicContact CB-CB 4.08Å; I522-L531 HydrophobicContact CB-CD2 4.34Å; I522-L531 HydrophobicContact CD1-CD2 4.09Å; I522-L531 HydrophobicContact CG2-CB 4.23Å; I522-L531 HydrophobicContact CG2-CD2 4.26Å; I522-L531 PolarHBondContact O-N 3.4Å; L531-L538 HydrophobicContact CD1-CB 4.11Å; L531-L538 HydrophobicContact CD1-CD2 4.14Å; L531-L538 HydrophobicContact CG-CD2 4.19Å; L531-W552 HydrophobicContact CB-CZ2 4.5Å; L531-W552 HydrophobicContact CD2-CH2 4.32Å; L531-W552 HydrophobicContact CD2-CZ2 3.8Å; L531-W552 HydrophobicContact CG-CZ2 3.81Å; L531-W552 PolarHBondContact O-NE1 3.38Å
532	E	94	Very high	89.9	Confident	16 Å²	16	38.8 Å²	38.8	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.7	179.5	-170.5	177.8	158.4	0	0	111.4	C530 K534 V539 S541 A549 Q550	C530-E532 PolarHBondContact O-N 3.3Å; E532-K534 WeakPolarHBondContact OE1-CE 3.47Å; E532-K534 IonicContact OE1-NZ 2.66Å; E532-K534 PolarHBondContact OE1-NZ 2.69Å; E532-V539 HydrophobicContact CB-CG2 4.31Å; E532-V539 PolarHBondContact N-O 2.88Å; E532-V539 PolarHBondContact O-N 3.08Å; E532-S541 WeakPolarHBondContact OE2-CB 3.32Å; E532-S541 PolarHBondContact OE2-OG 3.36Å; E532-A549 WeakPolarHBondContact CA-O 3.43Å; E532-A549 HydrophobicContact CG-CB 3.85Å; E532-Q550 HydrophobicContact CB-CG 3.71Å; E532-Q550 HydrophobicContact CG-CG 3.65Å; E532-Q550 PolarHBondContact OE2-NE2 2.85Å
533	T	92.8	Very high	89.8	Confident	31 Å²	31	41.2 Å²	41.2	19%	0.19	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.2	170.9	-52	0	0	0	0	110.6	Q437 M457 A549 W552	Q437-T533 PolarHBondContact OE1-OG1 3.23Å; M457-T533 HydrophobicContact CG-CG2 3.57Å; T533-A549 PolarHBondContact N-O 3.31Å; T533-W552 WeakPolarHBondContact OG1-CH2 2.98Å; T533-W552 WeakPolarHBondContact OG1-CZ2 3.33Å
534	K	89	Confident	89.8	Confident	96 Å²	96	45.1 Å²	45.1	42%	0.417	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	161.4	165.6	-65.4	-62.5	-166	-167.4	0	109.6	E532 A536 Q537 V539	E532-K534 WeakPolarHBondContact OE1-CE 3.47Å; E532-K534 IonicContact OE1-NZ 2.66Å; E532-K534 PolarHBondContact OE1-NZ 2.69Å; K534-A536 PolarHBondContact O-N 2.76Å; K534-Q537 WeakPolarHBondContact CA-O 3.43Å; K534-Q537 WeakPolarHBondContact CB-O 3.36Å; K534-Q537 PolarHBondContact N-O 3.04Å; K534-Q537 PolarHBondContact O-N 3.38Å; K534-Q537 VanDerWaalsContact O-O 3.09Å; K534-V539 HydrophobicContact CG-CG2 3.75Å
535	P	79.1	Confident	89.5	Confident	143 Å²	143	49.3 Å²	49.3	93%	0.929	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-28	-171.4	-30.5	36.2	0	0	0	116.5
536	A	76.4	Confident	89.6	Confident	98 Å²	98	53.6 Å²	53.6	81%	0.81	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-8.5	-176.6	0	0	0	0	0	114.6	K534	K534-A536 PolarHBondContact O-N 2.76Å
537	Q	85.6	Confident	89.9	Confident	94 Å²	94	50.5 Å²	50.5	44%	0.439	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	162	-173.3	57.7	178.1	11.8	0	0	112.2	K534 V539	K534-Q537 WeakPolarHBondContact CA-O 3.43Å; K534-Q537 WeakPolarHBondContact CB-O 3.36Å; K534-Q537 PolarHBondContact N-O 3.04Å; K534-Q537 PolarHBondContact O-N 3.38Å; K534-Q537 VanDerWaalsContact O-O 3.09Å; Q537-V539 HydrophobicContact CG-CG1 3.94Å
538	L	91.4	Very high	90.1	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138	167	-71.8	147.4	0	0	0	110.3	L442 L455 V501 L531 W552	L442-L538 HydrophobicContact CD1-CD1 3.19Å; L442-L538 HydrophobicContact CD1-CD2 4.45Å; L442-L538 HydrophobicContact CD1-CG 4.41Å; L455-L538 HydrophobicContact CB-CD1 3.59Å; L455-L538 HydrophobicContact CD1-CD1 4.41Å; V501-L538 HydrophobicContact CB-CB 4.17Å; V501-L538 PolarHBondContact N-O 3.32Å; L531-L538 HydrophobicContact CD1-CB 4.11Å; L531-L538 HydrophobicContact CD1-CD2 4.14Å; L531-L538 HydrophobicContact CG-CD2 4.19Å; L538-W552 HydrophobicContact CD2-CH2 3.69Å; L538-W552 HydrophobicContact CD2-CZ2 3.93Å
539	V	92.9	Very high	90.3	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.2	-179	-60.6	0	0	0	0	111.1	G498 S499 E532 K534 Q537	G498-V539 WeakPolarHBondContact O-CG1 3.22Å; S499-V539 CarbonylContact O-C 3.49Å; S499-V539 VanDerWaalsContact O-CA 3.3Å; S499-V539 WeakPolarHBondContact O-CA 3.4Å; E532-V539 HydrophobicContact CB-CG2 4.31Å; E532-V539 PolarHBondContact N-O 2.88Å; E532-V539 PolarHBondContact O-N 3.08Å; K534-V539 HydrophobicContact CG-CG2 3.75Å; Q537-V539 HydrophobicContact CG-CG1 3.94Å
540	T	93.7	Very high	90.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.3	166.5	50.6	0	0	0	0	110.3	A489 P497 G498 S499 V501 W515 C530	A489-T540 HydrophobicContact CB-CG2 3.93Å; P497-T540 CarbonylContact C-O 3.56Å; P497-T540 WeakPolarHBondContact CA-O 3.13Å; G498-T540 PolarHBondContact N-O 3.01Å; S499-T540 WeakPolarHBondContact CB-OG1 3.18Å; S499-T540 PolarHBondContact O-N 3.03Å; S499-T540 PolarHBondContact O-OG1 2.77Å; V501-T540 HydrophobicContact CG2-CG2 3.85Å; W515-T540 HydrophobicContact CH2-CG2 3.7Å; W515-T540 HydrophobicContact CZ3-CG2 4.22Å; C530-T540 CarbonylContact O-C 3.11Å; C530-T540 WeakPolarHBondContact O-CA 3.25Å
541	S	93.5	Very high	90.2	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.091	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	168.1	-178.6	-71.7	0	0	0	0	111.7	L529 C530 E532 C543	L529-S541 CarbonylContact C-O 3.55Å; L529-S541 WeakPolarHBondContact CA-O 3.34Å; L529-S541 WeakPolarHBondContact CB-O 3.15Å; C530-S541 PolarHBondContact N-O 3.48Å; C530-S541 PolarHBondContact O-N 2.93Å; E532-S541 WeakPolarHBondContact OE2-CB 3.32Å; E532-S541 PolarHBondContact OE2-OG 3.36Å; S541-C543 PolarHBondContact O-N 3.22Å
542	K	93.3	Very high	90.1	Very high	145 Å²	145	59.4 Å²	59.4	63%	0.63	34%	0.339	S	S	*	.			trans	-61.5	133.5	169.1	-69.2	-177.6	180	177.4	0	109.2	L529 Q544 Q550	L529-K542 HydrophobicContact CD2-CG 4.24Å; K542-Q544 PolarHBondContact O-N 2.87Å; K542-Q550 PolarHBondContact O-NE2 3.35Å; K542-Q550 PolarHBondContact O-OE1 3.1Å
543	C	91.8	Very high	89.9	Confident	54 Å²	54	63.9 Å²	63.9	37%	0.365	36%	0.36	S	S	.	.			trans	-66.1	123.5	-178.3	-60.9	0	0	0	0	111.3	G528 C530 S541	G528-C543 PolarHBondContact O-SG 2.7Å; G528-C543 VanDerWaalsContact O-SG 3.42Å; C530-C543 HydrophobicContact CB-CB 3.93Å; C530-C543 WeakPolarHBondContact CB-SG 3.46Å; C530-C543 PolarHBondContact N-SG 2.96Å; C530-C543 VanDerWaalsContact N-SG 3.4Å; C530-C543 WeakPolarHBondContact SG-CB 3.24Å; C530-C543 CovalentContact SG-SG 2.04Å; C530-C543 PolarHBondContact SG-SG 2.91Å; S541-C543 PolarHBondContact O-N 3.22Å
544	Q	92.4	Very high	89.7	Confident	98 Å²	98	63.8 Å²	63.8	46%	0.458	36%	0.358	S	S	.	.			trans	-129.6	122.6	-177.1	-75.7	179	-29.7	0	0	110.5	F521 K542 D546 A547	F521-Q544 VanDerWaalsContact CE1-O 3.31Å; F521-Q544 WeakPolarHBondContact CE1-O 3.17Å; F521-Q544 VanDerWaalsContact CZ-O 3.28Å; F521-Q544 WeakPolarHBondContact CZ-O 3.01Å; K542-Q544 PolarHBondContact O-N 2.87Å; Q544-D546 VanDerWaalsContact C-N 3.29Å; Q544-D546 PolarHBondContact O-N 2.86Å; Q544-A547 HydrophobicContact CB-CB 3.74Å; Q544-A547 PolarHBondContact O-N 3.46Å
545	A	86.4	Confident	89.4	Confident	87 Å²	87	62.3 Å²	62.3	72%	0.719	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.5	-177	0	0	0	0	0	113.5	Q551	A545-Q551 PolarHBondContact O-NE2 3.11Å; A545-Q551 VanDerWaalsContact O-NE2 3.15Å
546	D	89.2	Confident	89.4	Confident	128 Å²	128	58 Å²	58	68%	0.684	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.7	-175.6	56.8	-35.8	0	0	0	113.6	Q544 Q548	Q544-D546 VanDerWaalsContact C-N 3.29Å; Q544-D546 PolarHBondContact O-N 2.86Å; D546-Q548 PolarHBondContact O-N 3.22Å; D546-Q548 VanDerWaalsContact O-N 3.07Å
547	A	90.9	Very high	89.1	Confident	16 Å²	16	57.5 Å²	57.5	13%	0.132	31%	0.307	C	S	.	.			trans	-74.1	100.5	-179.9	0	0	0	0	0	111.4	Q544 A549 Q550	Q544-A547 HydrophobicContact CB-CB 3.74Å; Q544-A547 PolarHBondContact O-N 3.46Å; A547-A549 PolarHBondContact O-N 3.33Å; A547-Q550 HydrophobicContact CB-CB 4.32Å; A547-Q550 HydrophobicContact CB-CG 4.02Å; A547-Q550 PolarHBondContact O-N 3.06Å
548	Q	89.8	Confident	87.6	Confident	149 Å²	149	60.1 Å²	60.1	70%	0.696	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-55.3	-33.6	175.6	-68.3	-63.5	-36.7	0	0	112.7	Q437 D546 Q550 Q551	Q437-Q548 PolarHBondContact NE2-O 3.36Å; D546-Q548 PolarHBondContact O-N 3.22Å; D546-Q548 VanDerWaalsContact O-N 3.07Å; Q548-Q550 PolarHBondContact O-N 2.62Å; Q548-Q550 VanDerWaalsContact O-N 3.14Å; Q548-Q551 WeakPolarHBondContact O-CB 3.36Å; Q548-Q551 PolarHBondContact O-N 3.24Å; Q548-Q551 VanDerWaalsContact O-N 3.09Å
549	A	91.6	Very high	87.4	Confident	30 Å²	30	63 Å²	63	25%	0.248	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-66.5	-9	176.8	0	0	0	0	0	114.5	Q437 E532 T533 A547	Q437-A549 PolarHBondContact NE2-O 3.22Å; E532-A549 WeakPolarHBondContact CA-O 3.43Å; E532-A549 HydrophobicContact CG-CB 3.85Å; T533-A549 PolarHBondContact N-O 3.31Å; A547-A549 PolarHBondContact O-N 3.33Å
550	Q	93.9	Very high	87.1	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-109	1.9	174.9	-61.3	-173.7	4.3	0	0	113.1	F521 E532 K542 A547 Q548 W552	F521-Q550 HydrophobicContact CD1-CB 3.94Å; F521-Q550 WeakPolarHBondContact CD1-O 3.27Å; F521-Q550 HydrophobicContact CE1-CB 3.71Å; E532-Q550 HydrophobicContact CB-CG 3.71Å; E532-Q550 HydrophobicContact CG-CG 3.65Å; E532-Q550 PolarHBondContact OE2-NE2 2.85Å; K542-Q550 PolarHBondContact O-NE2 3.35Å; K542-Q550 PolarHBondContact O-OE1 3.1Å; A547-Q550 HydrophobicContact CB-CB 4.32Å; A547-Q550 HydrophobicContact CB-CG 4.02Å; A547-Q550 PolarHBondContact O-N 3.06Å; Q548-Q550 PolarHBondContact O-N 2.62Å; Q548-Q550 VanDerWaalsContact O-N 3.14Å; Q550-W552 PolarHBondContact O-NE1 3.45Å
551	Q	92.6	Very high	86.7	Confident	41 Å²	41	69.8 Å²	69.8	19%	0.192	38%	0.383	C	S	.	.			trans	-91	121.8	179.6	-57.3	-60.7	-40	0	0	109.9	Q437 S520 A545 Q548	Q437-Q551 WeakPolarHBondContact CG-O 3.4Å; Q437-Q551 PolarHBondContact NE2-O 3.28Å; S520-Q551 PolarHBondContact OG-OE1 3.21Å; A545-Q551 PolarHBondContact O-NE2 3.11Å; A545-Q551 VanDerWaalsContact O-NE2 3.15Å; Q548-Q551 WeakPolarHBondContact O-CB 3.36Å; Q548-Q551 PolarHBondContact O-N 3.24Å; Q548-Q551 VanDerWaalsContact O-N 3.09Å
552	W	91.9	Very high	86.3	Confident	3 Å²	3	73.1 Å²	73.1	1%	0.011	40%	0.4	C	S	.	.			trans	-127.7	138.2	-174.7	-57.2	96.8	0	0	0	111.4	I435 K436 Q437 M457 S520 I522 L531 T533 L538 Q550 L554	I435-W552 HydrophobicContact CG2-CD2 4.26Å; I435-W552 HydrophobicContact CG2-CE3 3.48Å; I435-W552 VanDerWaalsContact CG2-CE3 3.48Å; I435-W552 HydrophobicContact CG2-CZ3 4.01Å; K436-W552 CarbonylContact O-C 3.08Å; K436-W552 WeakPolarHBondContact O-CA 3.34Å; Q437-W552 HydrophobicContact CB-CE3 3.96Å; Q437-W552 HydrophobicContact CB-CZ3 3.96Å; M457-W552 HydrophobicContact CE-CZ3 4Å; M457-W552 HydrophobicContact SD-CH2 3.87Å; M457-W552 HydrophobicContact SD-CZ3 3.78Å; S520-W552 WeakPolarHBondContact O-CA 3.35Å; S520-W552 WeakPolarHBondContact O-CB 3.36Å; S520-W552 PolarHBondContact O-N 2.86Å; I522-W552 HydrophobicContact CD1-CB 3.83Å; I522-W552 HydrophobicContact CD1-CD2 4.04Å; I522-W552 HydrophobicContact CD1-CG 3.68Å; I522-W552 HydrophobicContact CG1-CB 3.98Å; I522-W552 HydrophobicContact CG1-CG 3.93Å; L531-W552 HydrophobicContact CB-CZ2 4.5Å; L531-W552 HydrophobicContact CD2-CH2 4.32Å; L531-W552 HydrophobicContact CD2-CZ2 3.8Å; L531-W552 HydrophobicContact CG-CZ2 3.81Å; L531-W552 PolarHBondContact O-NE1 3.38Å; T533-W552 WeakPolarHBondContact OG1-CH2 2.98Å; T533-W552 WeakPolarHBondContact OG1-CZ2 3.33Å; L538-W552 HydrophobicContact CD2-CH2 3.69Å; L538-W552 HydrophobicContact CD2-CZ2 3.93Å; Q550-W552 PolarHBondContact O-NE1 3.45Å; W552-L554 HydrophobicContact CB-CD1 4.31Å
553	Q	90.6	Very high	85.9	Confident	110 Å²	110	68.6 Å²	68.6	51%	0.514	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.1	171.4	-67.9	-179.8	-3.2	0	0	109	K436	K436-Q553 HydrophobicContact CB-CB 4.23Å; K436-Q553 PolarHBondContact N-O 3.32Å; K436-Q553 PolarHBondContact O-N 3.46Å
554	L	87.5	Confident	85.5	Confident	28 Å²	28	69.6 Å²	69.6	15%	0.147	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.6	171.9	-77	70.7	0	0	0	108.3	I435 F475 I522 W552 P556	I435-L554 HydrophobicContact CG1-CG 4.42Å; F475-L554 HydrophobicContact CD1-CD2 3.54Å; F475-L554 HydrophobicContact CD1-CG 4.29Å; F475-L554 HydrophobicContact CE1-CB 4.37Å; F475-L554 HydrophobicContact CE1-CD2 3.36Å; F475-L554 HydrophobicContact CE1-CG 3.61Å; F475-L554 HydrophobicContact CG-CD2 4.26Å; F475-L554 HydrophobicContact CZ-CB 4.14Å; F475-L554 HydrophobicContact CZ-CD2 3.98Å; F475-L554 HydrophobicContact CZ-CG 3.82Å; I522-L554 HydrophobicContact CD1-CD1 3.99Å; I522-L554 HydrophobicContact CG1-CD1 4.06Å; W552-L554 HydrophobicContact CB-CD1 4.31Å; L554-P556 WeakPolarHBondContact O-CD 3.41Å
555	L	83.9	Confident	85	Confident	65 Å²	65	67.6 Å²	67.6	34%	0.34	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	99.9	-179.3	-62.1	172.6	0	0	0	108.6	G433 I434 K436 A464	G433-L555 CarbonylContact C-O 3.6Å; G433-L555 WeakPolarHBondContact CA-O 3.41Å; I434-L555 HydrophobicContact CD1-CB 4.47Å; I434-L555 HydrophobicContact CD1-CD1 4Å; I434-L555 HydrophobicContact CG1-CB 3.79Å; I434-L555 HydrophobicContact CG1-CD1 4.1Å; I434-L555 HydrophobicContact CG1-CG 4.43Å; I434-L555 PolarHBondContact N-O 3Å; I434-L555 PolarHBondContact O-N 3.21Å; K436-L555 HydrophobicContact CD-CD1 4.15Å; A464-L555 HydrophobicContact CB-CB 4.08Å
556	P	77.8	Confident	84.9	Confident	54 Å²	54	66.1 Å²	66.1	35%	0.351	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	156.2	176.2	28.9	-33	0	0	0	111.1	P432 L554 T558	P432-P556 CarbonylContact O-C 3.49Å; P432-P556 WeakPolarHBondContact O-CA 3.3Å; L554-P556 WeakPolarHBondContact O-CD 3.41Å; P556-T558 HydrophobicContact CG-CG2 4.26Å; P556-T558 PolarHBondContact O-N 3.29Å
557	H	70.1	Confident	84.5	Confident	86 Å²	86	60.9 Å²	60.9	40%	0.398	33%	0.329	S	S	.	.			trans	-75.1	72.4	174	-168.8	-37.4	0	0	0	109.8	P432 K465	P432-H557 HydrophobicContact CB-CB 4.31Å; P432-H557 HydrophobicContact CG-CB 3.98Å; P432-H557 VanDerWaalsContact O-CB 3.32Å; P432-H557 WeakPolarHBondContact O-CB 3.46Å; P432-H557 PolarHBondContact O-N 2.85Å; K465-H557 PolarHBondContact O-CE1 3.28Å; K465-H557 PolarHBondContact O-NE2 3.01Å
558	T	53.8	Low	83.9	Confident	149 Å²	149	65 Å²	65	91%	0.914	35%	0.346	S	S	*	.			trans	-85.7	0	171.1	52.4	0	0	0	0	111.7	K465 P556	K465-T558 WeakPolarHBondContact CE-O 3.33Å; K465-T558 PolarHBondContact NZ-O 2.68Å; P556-T558 HydrophobicContact CG-CG2 4.26Å; P556-T558 PolarHBondContact O-N 3.29Å

Retrieved 558 of 558 residues in 1574.5 ms (Link to these results)

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