A0A087XSM3_POEFO Loading...

5-aminolevulinate synthase

Catalyzes the pyridoxal 5'-phosphate (PLP)-dependent condensation of succinyl-CoA and glycine to form aminolevulinic acid (ALA), with CoA and CO2 as by-products. Contributes significantly to heme formation during erythropoiesis.

AlphaFold DB , UniProt , Accession A0A087XSM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.9	Very low	52.1	Low	186 Å²	186	91 Å²	91	92%	0.916	49%	0.492	S	S	*	.				0	-57.5	0	-145.7	170.8	-167.2	0	0	112.7	A3	M1-A3 PolarHBondContact O-N 3.38Å
2	A	45.4	Very low	52.4	Low	73 Å²	73	96 Å²	96	60%	0.603	51%	0.505	S	S	*	.	H	α-helix	trans	-56.8	-51.5	-174.2	0	0	0	0	0	115.5	F4 L5 H6	A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 2.8Å; A2-L5 PolarHBondContact O-N 2.84Å; A2-L5 VanDerWaalsContact O-N 3.16Å; A2-H6 PolarHBondContact O-CD2 3.07Å
3	A	49.7	Very low	52.5	Low	70 Å²	70	96.4 Å²	96.4	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-55.6	-41.2	-173.2	0	0	0	0	0	114.3	M1 L5 H6	M1-A3 PolarHBondContact O-N 3.38Å; A3-L5 VanDerWaalsContact C-N 3.28Å; A3-L5 PolarHBondContact O-N 3.46Å; A3-H6 PolarHBondContact O-N 3.13Å
4	F	49	Very low	52.7	Low	49 Å²	49	93.4 Å²	93.4	22%	0.215	51%	0.507	C	S	.	.	H	α-helix	trans	-57.1	-38.3	-179.7	-179.7	-107.1	0	0	0	113.2	A2 H6 L11 L27 A30 I36	A2-F4 VanDerWaalsContact C-N 3.32Å; A2-F4 PolarHBondContact O-N 2.8Å; F4-H6 PolarHBondContact O-N 3.1Å; F4-L11 HydrophobicContact CE1-CD1 4.24Å; F4-L27 HydrophobicContact CD1-CD2 4.42Å; F4-A30 HydrophobicContact CD2-CB 4.3Å; F4-A30 HydrophobicContact CE2-CB 3.39Å; F4-A30 HydrophobicContact CZ-CB 3.76Å; F4-I36 HydrophobicContact CD2-CD1 4.12Å; F4-I36 HydrophobicContact CE2-CD1 3.56Å; F4-I36 HydrophobicContact CZ-CD1 4.4Å
5	L	53.1	Low	53.3	Low	69 Å²	69	92.8 Å²	92.8	36%	0.361	51%	0.51	S	S	.	.	H	α-helix	trans	-76.1	-21.4	-177.1	-65.2	173.5	0	0	0	113.4	A2 A3 L11 L19	A2-L5 PolarHBondContact O-N 2.84Å; A2-L5 VanDerWaalsContact O-N 3.16Å; A3-L5 VanDerWaalsContact C-N 3.28Å; A3-L5 PolarHBondContact O-N 3.46Å; L5-L11 HydrophobicContact CD2-CD1 4.08Å; L5-L19 HydrophobicContact CD2-CD2 4.32Å
6	H	53.5	Low	53.3	Low	126 Å²	126	98.6 Å²	98.6	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-84.5	-17.5	-177.1	-81.9	-80.1	0	0	0	114.4	A2 A3 F4 K12	A2-H6 PolarHBondContact O-CD2 3.07Å; A3-H6 PolarHBondContact O-N 3.13Å; F4-H6 PolarHBondContact O-N 3.1Å; H6-K12 WeakPolarHBondContact O-CE 3.39Å; H6-K12 PolarHBondContact O-NZ 2.94Å
7	H	53.4	Low	53.7	Low	133 Å²	133	98.5 Å²	98.5	62%	0.616	53%	0.53	S	S	*	.	H	α-helix	trans	-114.5	-13.9	-170.1	-60.7	-19.5	0	0	0	114.9	P9	H7-P9 WeakPolarHBondContact O-CD 3.48Å
8	C	57.1	Low	53.8	Low	23 Å²	23	97.1 Å²	97.1	16%	0.155	53%	0.525	C	S	.	.			trans	-81.4	115.8	169.4	-174.1	0	0	0	0	110.9	F10 L11	C8-F10 VanDerWaalsContact C-N 3.31Å; C8-F10 PolarHBondContact O-N 3.29Å; C8-L11 HydrophobicContact CB-CB 4.37Å; C8-L11 HydrophobicContact CB-CD1 4.02Å; C8-L11 HydrophobicContact CB-CG 4.04Å; C8-L11 PolarHBondContact O-N 3.42Å
9	P	54	Low	54.1	Low	79 Å²	79	93.5 Å²	93.5	51%	0.513	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-65.8	-31.4	-176.5	25.2	-33.3	0	0	0	113.1	H7 L11 K12	H7-P9 WeakPolarHBondContact O-CD 3.48Å; P9-L11 VanDerWaalsContact C-N 3.3Å; P9-L11 PolarHBondContact O-N 3.44Å; P9-K12 PolarHBondContact O-N 3.06Å
10	F	53.5	Low	54.1	Low	168 Å²	168	99.9 Å²	99.9	74%	0.737	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18.2	179.2	-80.5	-86.5	0	0	0	114.6	C8 S13	C8-F10 VanDerWaalsContact C-N 3.31Å; C8-F10 PolarHBondContact O-N 3.29Å; F10-S13 PolarHBondContact O-OG 2.69Å
11	L	58	Low	54.4	Low	25 Å²	25	106 Å²	106	13%	0.131	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-91.1	-8.1	-179.7	-60.8	-177.7	0	0	0	113.4	F4 L5 C8 P9 S13 L19 L26	F4-L11 HydrophobicContact CE1-CD1 4.24Å; L5-L11 HydrophobicContact CD2-CD1 4.08Å; C8-L11 HydrophobicContact CB-CB 4.37Å; C8-L11 HydrophobicContact CB-CD1 4.02Å; C8-L11 HydrophobicContact CB-CG 4.04Å; C8-L11 PolarHBondContact O-N 3.42Å; P9-L11 VanDerWaalsContact C-N 3.3Å; P9-L11 PolarHBondContact O-N 3.44Å; L11-S13 VanDerWaalsContact C-N 3.33Å; L11-S13 PolarHBondContact O-N 3.33Å; L11-L19 HydrophobicContact CB-CD2 4.49Å; L11-L19 HydrophobicContact CD2-CD2 4.14Å; L11-L26 HydrophobicContact CD2-CD1 4.37Å; L11-L26 HydrophobicContact CD2-CD2 4.35Å
12	K	55.3	Low	54.9	Low	151 Å²	151	100.1 Å²	100.1	66%	0.657	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.4	178.8	-71.1	-175.6	177.3	176.1	0	114.3	H6 P9	H6-K12 WeakPolarHBondContact O-CE 3.39Å; H6-K12 PolarHBondContact O-NZ 2.94Å; P9-K12 PolarHBondContact O-N 3.06Å
13	S	53.1	Low	55.5	Low	101 Å²	101	97.6 Å²	97.6	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	0.6	-179.1	50.9	0	0	0	0	114.2	F10 L11	F10-S13 PolarHBondContact O-OG 2.69Å; L11-S13 VanDerWaalsContact C-N 3.33Å; L11-S13 PolarHBondContact O-N 3.33Å
14	V	55.6	Low	55.8	Low	54 Å²	54	99.6 Å²	99.6	33%	0.327	50%	0.499	S	S	.	.	S	Bend	trans	-100.4	131.3	-173.7	-177.1	0	0	0	0	111.1	Y16 T18 L19	V14-Y16 PolarHBondContact O-N 2.88Å; V14-T18 HydrophobicContact CG1-CG2 4.31Å; V14-L19 HydrophobicContact CB-CD1 4.34Å; V14-L19 HydrophobicContact CB-CG 4.31Å; V14-L19 HydrophobicContact CG1-CG 4.08Å
15	P	62.1	Low	56.1	Low	85 Å²	85	101.6 Å²	101.6	55%	0.552	52%	0.516	S	S	*	.			trans	-57.6	136.3	177.5	-27.9	36	0	0	0	114.1	T18 L19	P15-T18 WeakPolarHBondContact O-CB 3.47Å; P15-T18 PolarHBondContact O-N 2.92Å; P15-L19 PolarHBondContact O-N 3.31Å
16	Y	53.8	Low	56.4	Low	185 Å²	185	101 Å²	101	73%	0.725	51%	0.513	S	S	*	.	H	α-helix	trans	-53.2	-37	-176.1	-151.8	-100.6	0	0	0	115.5	V14 T18 R20	V14-Y16 PolarHBondContact O-N 2.88Å; Y16-T18 VanDerWaalsContact C-N 3.31Å; Y16-T18 PolarHBondContact O-N 2.92Å; Y16-R20 PolarHBondContact O-N 2.76Å
17	P	59	Low	56.5	Low	97 Å²	97	98.8 Å²	98.8	63%	0.63	51%	0.505	S	S	*	.	H	α-helix	trans	-64.2	-33.6	175.5	-23.1	35.3	0	0	0	113.5	R20	P17-R20 PolarHBondContact O-N 2.93Å
18	T	56.7	Low	56.5	Low	73 Å²	73	96.3 Å²	96.3	45%	0.448	50%	0.502	S	S	.	.	H	α-helix	trans	-71	-47	-178.1	-48.6	0	0	0	0	110.8	V14 P15 Y16 R20 R21 T22	V14-T18 HydrophobicContact CG1-CG2 4.31Å; P15-T18 WeakPolarHBondContact O-CB 3.47Å; P15-T18 PolarHBondContact O-N 2.92Å; Y16-T18 VanDerWaalsContact C-N 3.31Å; Y16-T18 PolarHBondContact O-N 2.92Å; T18-R20 PolarHBondContact O-N 2.85Å; T18-R20 VanDerWaalsContact O-N 3.15Å; T18-R21 PolarHBondContact O-N 3.21Å; T18-T22 PolarHBondContact O-N 2.75Å; T18-T22 PolarHBondContact O-OG1 2.7Å
19	L	58.3	Low	56.4	Low	29 Å²	29	100 Å²	100	15%	0.152	52%	0.52	C	S	.	.	H	α-helix	trans	-52.9	-33.6	173.4	-79.6	159.4	0	0	0	112.7	L5 L11 V14 P15 R21 G23	L5-L19 HydrophobicContact CD2-CD2 4.32Å; L11-L19 HydrophobicContact CB-CD2 4.49Å; L11-L19 HydrophobicContact CD2-CD2 4.14Å; V14-L19 HydrophobicContact CB-CD1 4.34Å; V14-L19 HydrophobicContact CB-CG 4.31Å; V14-L19 HydrophobicContact CG1-CG 4.08Å; P15-L19 PolarHBondContact O-N 3.31Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.79Å; L19-G23 PolarHBondContact O-N 3.4Å; L19-G23 VanDerWaalsContact O-N 3.14Å
20	R	55.4	Low	56.5	Low	222 Å²	222	96.8 Å²	96.8	84%	0.838	50%	0.5	S	S	*	.	H	α-helix	trans	-74.7	-16.5	-179.6	-152	178	-172.4	-167.6	2.5	114.1	Y16 P17 T18	Y16-R20 PolarHBondContact O-N 2.76Å; P17-R20 PolarHBondContact O-N 2.93Å; T18-R20 PolarHBondContact O-N 2.85Å; T18-R20 VanDerWaalsContact O-N 3.15Å
21	R	59.3	Low	56.3	Low	227 Å²	227	96 Å²	96	86%	0.857	50%	0.504	S	S	*	.	H	α-helix	trans	-93.7	-31.2	175.2	-81.8	-174.7	170.6	177	-2.5	113.8	T18 L19	T18-R21 PolarHBondContact O-N 3.21Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.79Å
22	T	56.5	Low	56.1	Low	64 Å²	64	102.3 Å²	102.3	39%	0.393	53%	0.532	S	S	.	.	H	α-helix	trans	-104.1	-2.1	-175.9	52	0	0	0	0	114.5	T18 T24 T25 L26	T18-T22 PolarHBondContact O-N 2.75Å; T18-T22 PolarHBondContact O-OG1 2.7Å; T22-T24 VanDerWaalsContact C-N 3.28Å; T22-T24 PolarHBondContact O-N 2.84Å; T22-T24 VanDerWaalsContact O-N 3.14Å; T22-T25 PolarHBondContact O-N 2.81Å; T22-T25 VanDerWaalsContact O-N 3.15Å; T22-L26 PolarHBondContact O-N 3.24Å; T22-L26 VanDerWaalsContact O-N 3.11Å
23	G	58.2	Low	56.1	Low	20 Å²	20	96.9 Å²	96.9	21%	0.206	51%	0.513	C	S	.	.	H	α-helix	trans	-57.4	-30.5	-171	0	0	0	0	0	116	L19 L27	L19-G23 PolarHBondContact O-N 3.4Å; L19-G23 VanDerWaalsContact O-N 3.14Å; G23-L27 WeakPolarHBondContact O-CD1 3.46Å; G23-L27 VanDerWaalsContact O-CG 3.31Å; G23-L27 WeakPolarHBondContact O-CG 3.46Å; G23-L27 PolarHBondContact O-N 2.78Å
24	T	56.4	Low	56	Low	112 Å²	112	97.2 Å²	97.2	69%	0.687	51%	0.513	S	S	*	.	H	α-helix	trans	-70.2	-42.3	176.9	42.6	0	0	0	0	112.6	T22 L27 S28	T22-T24 VanDerWaalsContact C-N 3.28Å; T22-T24 PolarHBondContact O-N 2.84Å; T22-T24 VanDerWaalsContact O-N 3.14Å; T24-L27 PolarHBondContact O-N 3.37Å; T24-S28 PolarHBondContact O-N 2.81Å
25	T	56.4	Low	55.9	Low	91 Å²	91	100.2 Å²	100.2	56%	0.558	53%	0.526	S	S	*	.	H	α-helix	trans	-72.4	-30.8	177.7	-38.6	0	0	0	0	112.3	T22 L27 S28	T22-T25 PolarHBondContact O-N 2.81Å; T22-T25 VanDerWaalsContact O-N 3.15Å; T25-L27 VanDerWaalsContact C-N 3.35Å; T25-S28 PolarHBondContact O-OG 3.45Å
26	L	58.1	Low	55.5	Low	57 Å²	57	98.5 Å²	98.5	30%	0.298	51%	0.511	S	S	.	.	H	α-helix	trans	-68.7	-31.2	172.4	-88.3	160.9	0	0	0	112.8	L11 T22	L11-L26 HydrophobicContact CD2-CD1 4.37Å; L11-L26 HydrophobicContact CD2-CD2 4.35Å; T22-L26 PolarHBondContact O-N 3.24Å; T22-L26 VanDerWaalsContact O-N 3.11Å
27	L	55.6	Low	55.3	Low	79 Å²	79	93.5 Å²	93.5	41%	0.414	51%	0.509	S	S	.	.	H	α-helix	trans	-69.9	-39.1	177.7	-81.2	163.4	0	0	0	112.5	F4 G23 T24 T25 L29 A30	F4-L27 HydrophobicContact CD1-CD2 4.42Å; G23-L27 WeakPolarHBondContact O-CD1 3.46Å; G23-L27 VanDerWaalsContact O-CG 3.31Å; G23-L27 WeakPolarHBondContact O-CG 3.46Å; G23-L27 PolarHBondContact O-N 2.78Å; T24-L27 PolarHBondContact O-N 3.37Å; T25-L27 VanDerWaalsContact C-N 3.35Å; L27-L29 PolarHBondContact O-N 3.48Å; L27-L29 VanDerWaalsContact O-N 3.16Å; L27-A30 VanDerWaalsContact O-CB 3.23Å; L27-A30 WeakPolarHBondContact O-CB 3.38Å; L27-A30 PolarHBondContact O-N 3.47Å; L27-A30 VanDerWaalsContact O-N 3.16Å
28	S	54.9	Low	54.6	Low	80 Å²	80	99.6 Å²	99.6	56%	0.559	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-9	178.1	48.6	0	0	0	0	115	T24 T25	T24-S28 PolarHBondContact O-N 2.81Å; T25-S28 PolarHBondContact O-OG 3.45Å
29	L	53.9	Low	53.9	Low	100 Å²	100	103.3 Å²	103.3	52%	0.524	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-1.7	176.4	-64.3	171.4	0	0	0	112.6	L27 D31 Q32	L27-L29 PolarHBondContact O-N 3.48Å; L27-L29 VanDerWaalsContact O-N 3.16Å; L29-D31 PolarHBondContact O-N 3.13Å; L29-Q32 PolarHBondContact O-N 2.65Å
30	A	56.4	Low	52.9	Low	12 Å²	12	109.2 Å²	109.2	10%	0.099	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-60.3	-45.3	179.8	0	0	0	0	0	112.2	F4 L27 Q32 C33	F4-A30 HydrophobicContact CD2-CB 4.3Å; F4-A30 HydrophobicContact CE2-CB 3.39Å; F4-A30 HydrophobicContact CZ-CB 3.76Å; L27-A30 VanDerWaalsContact O-CB 3.23Å; L27-A30 WeakPolarHBondContact O-CB 3.38Å; L27-A30 PolarHBondContact O-N 3.47Å; L27-A30 VanDerWaalsContact O-N 3.16Å; A30-Q32 PolarHBondContact O-N 3Å; A30-C33 VanDerWaalsContact O-CB 3.28Å; A30-C33 WeakPolarHBondContact O-CB 3.5Å; A30-C33 PolarHBondContact O-N 2.81Å; A30-C33 VanDerWaalsContact O-N 3.08Å
31	D	49.3	Very low	51.8	Low	153 Å²	153	104.8 Å²	104.8	82%	0.818	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-72.7	-9.2	-173.1	-52.9	-35.2	0	0	0	113.1	L29	L29-D31 PolarHBondContact O-N 3.13Å
32	Q	53.9	Low	50.5	Low	157 Å²	157	100.3 Å²	100.3	73%	0.734	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-101.6	1.3	175.3	-60.9	-177.2	-0.2	0	0	112.6	L29 A30 P34	L29-Q32 PolarHBondContact O-N 2.65Å; A30-Q32 PolarHBondContact O-N 3Å; Q32-P34 VanDerWaalsContact O-CD 3.32Å; Q32-P34 WeakPolarHBondContact O-CD 3.24Å
33	C	54.7	Low	49.2	Very low	37 Å²	37	102.7 Å²	102.7	25%	0.25	58%	0.576	C	S	.	*			trans	-86	112.2	-177	-175.6	0	0	0	0	112.2	A30 I35 I36 A37	A30-C33 VanDerWaalsContact O-CB 3.28Å; A30-C33 WeakPolarHBondContact O-CB 3.5Å; A30-C33 PolarHBondContact O-N 2.81Å; A30-C33 VanDerWaalsContact O-N 3.08Å; C33-I35 PolarHBondContact O-N 3.4Å; C33-I36 HydrophobicContact CB-CB 4.25Å; C33-I36 HydrophobicContact CB-CD1 4.05Å; C33-I36 HydrophobicContact CB-CG1 4.18Å; C33-I36 PolarHBondContact O-N 3.14Å; C33-I36 VanDerWaalsContact O-N 3.1Å; C33-A37 PolarHBondContact O-N 2.84Å
34	P	52.1	Low	47.7	Very low	108 Å²	108	104.5 Å²	104.5	70%	0.701	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-18	-173.5	-23.1	35.2	0	0	0	115	Q32	Q32-P34 VanDerWaalsContact O-CD 3.32Å; Q32-P34 WeakPolarHBondContact O-CD 3.24Å
35	I	52.7	Low	46.4	Very low	116 Å²	116	105.3 Å²	105.3	60%	0.595	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-33.5	179.3	-62.1	177.4	0	0	0	111.1	C33	C33-I35 PolarHBondContact O-N 3.4Å
36	I	54.5	Low	45.1	Very low	49 Å²	49	104.9 Å²	104.9	25%	0.251	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-36.2	-173.1	-64.1	178.2	0	0	0	111.3	F4 C33 R38	F4-I36 HydrophobicContact CD2-CD1 4.12Å; F4-I36 HydrophobicContact CE2-CD1 3.56Å; F4-I36 HydrophobicContact CZ-CD1 4.4Å; C33-I36 HydrophobicContact CB-CB 4.25Å; C33-I36 HydrophobicContact CB-CD1 4.05Å; C33-I36 HydrophobicContact CB-CG1 4.18Å; C33-I36 PolarHBondContact O-N 3.14Å; C33-I36 VanDerWaalsContact O-N 3.1Å; I36-R38 PolarHBondContact O-N 3.24Å
37	A	49.6	Very low	43.7	Very low	81 Å²	81	106.4 Å²	106.4	67%	0.669	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-12.7	179.1	0	0	0	0	0	114.8	C33	C33-A37 PolarHBondContact O-N 2.84Å
38	R	44.3	Very low	42.4	Very low	225 Å²	225	110.3 Å²	110.3	85%	0.849	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	4.7	-173.8	-93.2	-174.8	169.6	-169.9	-2.6	116.2	I36	I36-R38 PolarHBondContact O-N 3.24Å
39	Q	40.7	Very low	41.2	Very low	150 Å²	150	112.9 Å²	112.9	70%	0.701	64%	0.639	S	S	*	*	S	Bend	trans	-121.4	14.7	179.6	-69	-162.5	-46	0	0	115.2
40	I	37.1	Very low	39.9	Very low	154 Å²	154	112.4 Å²	112.4	79%	0.79	65%	0.65	S	S	*	*			trans	-106.3	66	171.3	-48.8	-175.9	0	0	0	110.5
41	T	32.8	Very low	38.5	Very low	128 Å²	128	119 Å²	119	79%	0.785	68%	0.676	S	S	*	*	S	Bend	trans	-142	139.7	154.4	-38	0	0	0	0	106.9
42	V	31.5	Very low	37.3	Very low	134 Å²	134	119.4 Å²	119.4	81%	0.812	68%	0.677	S	S	*	*	S	Bend	trans	83.2	101.8	-168.1	-173.4	0	0	0	0	114.3
43	S	29.5	Very low	36	Very low	113 Å²	113	116.3 Å²	116.3	79%	0.79	67%	0.673	S	S	*	*			trans	67.6	93.1	152.1	-54.2	0	0	0	0	120.1
44	G	26.9	Very low	34.7	Very low	58 Å²	58	120.3 Å²	120.3	60%	0.598	70%	0.702	S	S	*	*			trans	-68.5	152.7	152.9	0	0	0	0	0	112.2
45	T	29.3	Very low	33.4	Very low	130 Å²	130	120.3 Å²	120.3	80%	0.798	70%	0.704	S	S	*	*				72	137.7	98.2	62.4	0	0	0	0	114.8
46	S	29.3	Very low	33	Very low	82 Å²	82	120 Å²	120	57%	0.573	71%	0.71	S	S	*	*			cis	-156.2	161.5	30.1	62.9	0	0	0	0	116.1
47	S	29.4	Very low	31.6	Very low	89 Å²	89	124.7 Å²	124.7	62%	0.622	74%	0.741	S	S	*	*			trans	56.6	128.9	133.7	62.3	0	0	0	0	121.9
48	L	27.7	Very low	30.6	Very low	161 Å²	161	130.2 Å²	130.2	84%	0.843	75%	0.75	S	S	*	*			cis	79.1	145.1	48.1	-69.1	165.5	0	0	0	115.1
49	E	29.8	Very low	30.3	Very low	133 Å²	133	124.4 Å²	124.4	62%	0.621	74%	0.741	S	S	*	*			cis	-95.1	-114.5	4.2	-159.8	-166.8	55.8	0	0	114.7	K51	E49-K51 IonicContact OE1-NZ 3.61Å; E49-K51 PolarHBondContact OE1-NZ 2.85Å; E49-K51 IonicContact OE2-NZ 3.92Å; E49-K51 PolarHBondContact OE2-NZ 2.94Å
50	A	27.4	Very low	29.6	Very low	90 Å²	90	125.1 Å²	125.1	74%	0.744	75%	0.75	S	S	*	*			cis	-144.5	-163.8	3.1	0	0	0	0	0	111.3
51	K	26.2	Very low	29.1	Very low	152 Å²	152	121.5 Å²	121.5	66%	0.661	75%	0.751	S	S	*	*			trans	-141.3	150	-168.7	-54.6	178.5	-175	86.8	0	113.7	E49	E49-K51 IonicContact OE1-NZ 3.61Å; E49-K51 PolarHBondContact OE1-NZ 2.85Å; E49-K51 IonicContact OE2-NZ 3.92Å; E49-K51 PolarHBondContact OE2-NZ 2.94Å
52	L	24.4	Very low	28.8	Very low	160 Å²	160	124.8 Å²	124.8	84%	0.838	76%	0.757	S	S	*	*				-175.4	140.9	110.8	-100.2	166	0	0	0	115.3
53	S	25.9	Very low	28.4	Very low	93 Å²	93	126 Å²	126	65%	0.65	76%	0.758	S	S	*	*			trans	48.3	121.3	147.9	62	0	0	0	0	124.3
54	S	26.8	Very low	28.9	Very low	120 Å²	120	125.5 Å²	125.5	84%	0.839	75%	0.752	S	S	*	*			trans	67.5	142.6	133.8	57.6	0	0	0	0	123.2
55	S	25.3	Very low	28.9	Very low	109 Å²	109	128.8 Å²	128.8	76%	0.762	76%	0.761	S	S	*	*			trans	-110.2	-174.9	174.7	61.4	0	0	0	0	110.8
56	P	44.1	Very low	28.9	Very low	109 Å²	109	128 Å²	128	71%	0.708	76%	0.756	S	S	*	*			cis	-131.2	159.8	-23.9	34.9	-19.3	0	0	0	114.3
57	T	26.4	Very low	28.7	Very low	148 Å²	148	130 Å²	130	91%	0.908	76%	0.756	S	S	*	*			trans	-173.8	165.6	143.9	11.1	0	0	0	0	114.7
58	K	27.9	Very low	28.6	Very low	197 Å²	197	133.5 Å²	133.5	86%	0.857	76%	0.763	S	S	*	*			trans	-118.4	172.2	161.9	-80.8	-173	176	-177.7	0	107.4
59	P	38.3	Very low	28.5	Very low	102 Å²	102	133.1 Å²	133.1	66%	0.662	75%	0.754	S	S	*	*			cis	-141.3	-173.6	15	44.9	-26.7	0	0	0	116.9
60	N	26.1	Very low	28.3	Very low	165 Å²	165	137.5 Å²	137.5	88%	0.882	77%	0.765	S	S	*	*			trans	62.9	143.6	155.3	-63.4	-6.6	0	0	0	121
61	G	25.5	Very low	28.2	Very low	79 Å²	79	142 Å²	142	81%	0.814	77%	0.768	S	S	*	*			trans	156.9	123	164.7	0	0	0	0	0	115.3
62	Q	26.4	Very low	28.2	Very low	196 Å²	196	144.9 Å²	144.9	92%	0.916	78%	0.781	S	S	*	*			trans	-72.7	160.2	-168.2	-66.3	150.9	-56.5	0	0	117.2
63	L	24.8	Very low	28.4	Very low	159 Å²	159	141.5 Å²	141.5	83%	0.832	78%	0.776	S	S	*	*			trans	-58.2	157.6	151.8	-93.1	162.6	0	0	0	111
64	P	39.1	Very low	28.5	Very low	103 Å²	103	146.7 Å²	146.7	67%	0.669	79%	0.79	S	S	*	*				-162.6	161.2	68.3	43.3	-21.6	0	0	0	120.7
65	T	27.2	Very low	28.7	Very low	127 Å²	127	147.6 Å²	147.6	78%	0.779	79%	0.791	S	S	*	*			trans	63	161.9	141.2	57.1	0	0	0	0	120.1
66	V	28.1	Very low	28.7	Very low	114 Å²	114	146.5 Å²	146.5	69%	0.691	79%	0.788	S	S	*	*			cis	-154.6	174.3	-6.5	112	0	0	0	0	111.1
67	E	26	Very low	27.8	Very low	123 Å²	123	147.7 Å²	147.7	58%	0.575	79%	0.793	S	S	*	*			trans	-13.3	155.2	166.2	-50.6	-171.9	101.4	0	0	120.2	K69	E67-K69 WeakPolarHBondContact OE1-CE 3.42Å; E67-K69 IonicContact OE1-NZ 3.37Å; E67-K69 PolarHBondContact OE1-NZ 3.49Å
68	Q	27.4	Very low	27.9	Very low	164 Å²	164	149.3 Å²	149.3	77%	0.766	79%	0.79	S	S	*	*				-162.8	143.6	65.9	-79.1	-176.5	12.1	0	0	111.1
69	K	26.4	Very low	27.8	Very low	152 Å²	152	145.8 Å²	145.8	66%	0.661	79%	0.785	S	S	*	*				45.5	130.4	86.7	-64.8	161.2	-179.2	161.3	0	112.3	E67	E67-K69 WeakPolarHBondContact OE1-CE 3.42Å; E67-K69 IonicContact OE1-NZ 3.37Å; E67-K69 PolarHBondContact OE1-NZ 3.49Å
70	R	25.5	Very low	27.3	Very low	225 Å²	225	146 Å²	146	85%	0.849	80%	0.796	S	S	*	*			cis	-160.8	161.8	26.1	-131.1	172.6	-171.7	175.7	1.3	112.5
71	K	24.1	Very low	27.5	Very low	184 Å²	184	143.9 Å²	143.9	80%	0.8	79%	0.788	S	S	*	*			trans	-10.7	141.3	160.1	-55.5	177.1	176.6	-171.5	0	118.4
72	F	25.9	Very low	27.6	Very low	214 Å²	214	145.7 Å²	145.7	94%	0.939	79%	0.789	S	S	*	*				-154.4	162.2	105.3	-113	-77.4	0	0	0	110.9
73	A	29.1	Very low	27.7	Very low	88 Å²	88	141.4 Å²	141.4	73%	0.727	79%	0.786	S	S	*	*			trans	-126.2	140.5	178.2	0	0	0	0	0	110.1
74	Q	28	Very low	27.9	Very low	202 Å²	202	139.4 Å²	139.4	94%	0.944	79%	0.786	S	S	*	*			trans	-153.7	150.8	166.3	-111.4	169.7	-2.5	0	0	109
75	T	32	Very low	27.5	Very low	140 Å²	140	144.8 Å²	144.8	86%	0.859	80%	0.799	S	S	*	*			trans	-117.5	145.2	-160.4	-18.2	0	0	0	0	112.6
76	A	25.1	Very low	27.8	Very low	85 Å²	85	142.7 Å²	142.7	70%	0.702	80%	0.802	S	S	*	*			trans	69.6	129.3	153.8	0	0	0	0	0	119.8
77	T	25.4	Very low	28	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	80%	0.803	S	S	*	*			trans	73	86.3	148.7	-42.4	0	0	0	0	118.5
78	Q	27.3	Very low	28.4	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	81%	0.81	S	S	*	*				-164.2	139.3	117.4	-106.2	174.1	16	0	0	113.6
79	V	26.3	Very low	28.6	Very low	124 Å²	124	142.2 Å²	142.2	75%	0.752	81%	0.81	S	S	*	*			trans	39.8	101.3	155.9	-168	0	0	0	0	118.8	V81	V79-V81 HydrophobicContact CG1-CG2 4.26Å
80	A	28.1	Very low	29.3	Very low	106 Å²	106	141.6 Å²	141.6	88%	0.876	82%	0.819	S	S	*	*			trans	-102.2	93.7	162.7	0	0	0	0	0	111.3
81	V	30.3	Very low	29.9	Very low	121 Å²	121	136.4 Å²	136.4	73%	0.733	82%	0.817	S	S	*	*			trans	-143.7	102.9	170.4	-177	0	0	0	0	111.2	V79	V79-V81 HydrophobicContact CG1-CG2 4.26Å
82	S	26.6	Very low	30.4	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	82%	0.818	S	S	*	*			trans	175	161.7	144.1	-86.8	0	0	0	0	113
83	A	28.2	Very low	31.3	Very low	105 Å²	105	132.4 Å²	132.4	87%	0.868	82%	0.817	S	S	*	*			trans	70	47.6	163	0	0	0	0	0	119
84	S	29.2	Very low	31.4	Very low	118 Å²	118	136 Å²	136	83%	0.825	82%	0.823	S	S	*	*			trans	-100.6	106.2	152	51.7	0	0	0	0	110.9
85	K	32.2	Very low	31.8	Very low	216 Å²	216	129.4 Å²	129.4	94%	0.939	81%	0.808	S	S	*	*			trans	-141.3	117.2	169	-83.5	-168.7	174.7	-178.1	0	110.1
86	G	32.7	Very low	31.6	Very low	83 Å²	83	131.7 Å²	131.7	86%	0.856	81%	0.812	S	S	*	*			trans	126.2	66.5	174.9	0	0	0	0	0	114.7
87	C	31.6	Very low	32.2	Very low	104 Å²	104	134.5 Å²	134.5	70%	0.703	82%	0.819	S	S	*	*			trans	-139.8	119.3	163.6	-174.4	0	0	0	0	109.2	F89	C87-F89 VanDerWaalsContact C-N 3.34Å; C87-F89 PolarHBondContact O-N 2.96Å
88	P	35.9	Very low	32.6	Very low	111 Å²	111	137.6 Å²	137.6	72%	0.721	82%	0.821	S	S	*	*			trans	-91.6	32.1	-166.3	37.6	-38.2	0	0	0	114.4
89	F	31.5	Very low	32.6	Very low	175 Å²	175	133.4 Å²	133.4	77%	0.768	82%	0.818	S	S	*	*			trans	-129.3	38.3	-170.4	-137	-86.6	0	0	0	115.2	C87	C87-F89 VanDerWaalsContact C-N 3.34Å; C87-F89 PolarHBondContact O-N 2.96Å
90	V	40.1	Very low	33.1	Very low	139 Å²	139	132.1 Å²	132.1	84%	0.842	82%	0.815	S	S	*	*			trans	-132.1	75.9	176.7	-170.5	0	0	0	0	111.1
91	S	38.9	Very low	33.6	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	82%	0.815	S	S	*	*			trans	-160.9	54.8	171.6	66.8	0	0	0	0	114.7
92	S	34.5	Very low	34.2	Very low	117 Å²	117	136 Å²	136	82%	0.818	82%	0.818	S	S	*	*	S	Bend	trans	-155.1	145.5	156.6	57.2	0	0	0	0	111.4
93	Q	44	Very low	34.7	Very low	197 Å²	197	137.6 Å²	137.6	92%	0.921	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-61.7	134.6	-167.7	-65.4	154.6	-37.8	0	0	113.4
94	I	32.3	Very low	34.9	Very low	165 Å²	165	141.7 Å²	141.7	85%	0.846	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-102.7	118.2	159.5	-63.3	176.4	0	0	0	107.6
95	G	34.9	Very low	35.2	Very low	62 Å²	62	145.1 Å²	145.1	64%	0.639	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-77.5	133.4	168.2	0	0	0	0	0	110.5	V97	G95-V97 PolarHBondContact O-N 2.98Å
96	M	28.9	Very low	35.1	Very low	189 Å²	189	142.7 Å²	142.7	93%	0.931	83%	0.825	S	S	*	*			trans	-71.9	109.9	175.2	-72.1	173.2	60.8	0	0	110.8
97	V	37.6	Very low	35.2	Very low	143 Å²	143	145.7 Å²	145.7	87%	0.867	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90.5	127.3	159.4	-178.4	0	0	0	0	107.7	G95	G95-V97 PolarHBondContact O-N 2.98Å
98	K	32.5	Very low	35.1	Very low	199 Å²	199	150.1 Å²	150.1	87%	0.865	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-87.9	125.3	-177.2	-154	179.2	-174.4	-173.6	0	109.3
99	A	29.2	Very low	34.7	Very low	94 Å²	94	148.6 Å²	148.6	78%	0.777	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-73.1	151.9	175.1	0	0	0	0	0	111.7
100	S	35.8	Very low	34.7	Very low	98 Å²	98	148.1 Å²	148.1	69%	0.685	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-68.8	144	174.5	-51.1	0	0	0	0	111.3	E102	S100-E102 PolarHBondContact O-N 3.3Å
101	P	39.4	Very low	34.4	Very low	136 Å²	136	148.5 Å²	148.5	88%	0.883	84%	0.84	S	S	*	*	S	Bend	trans	-84.1	55.8	-178.1	36.7	-37.1	0	0	0	112.3
102	E	41.6	Very low	34.2	Very low	171 Å²	171	150 Å²	150	80%	0.799	84%	0.844	S	S	*	*			trans	-131	121.3	174.9	-69.7	-179.7	171.4	0	0	109.2	S100	S100-E102 PolarHBondContact O-N 3.3Å
103	V	37.3	Very low	33.9	Very low	151 Å²	151	150 Å²	150	92%	0.915	85%	0.845	S	S	*	*	S	Bend	trans	92.3	64.5	-168.7	-163.4	0	0	0	0	114.9
104	Q	33.5	Very low	33.4	Very low	191 Å²	191	148.5 Å²	148.5	89%	0.893	84%	0.842	S	S	*	*			trans	-161.6	85.4	156.5	-132.3	173.2	26.9	0	0	113.8
105	E	34.2	Very low	33.6	Very low	190 Å²	190	148.8 Å²	148.8	89%	0.888	84%	0.844	S	S	*	*			trans	-169.5	125.1	153.9	-114	163.6	-142.9	0	0	109.5
106	D	30.7	Very low	33.5	Very low	166 Å²	166	156 Å²	156	89%	0.888	86%	0.858	S	S	*	*			trans	169.4	75.4	153.4	-103.2	-15.7	0	0	0	112
107	V	34.6	Very low	33.7	Very low	145 Å²	145	150.3 Å²	150.3	88%	0.879	85%	0.848	S	S	*	*	S	Bend	trans	-154.9	95.2	142.4	-173.6	0	0	0	0	109.1
108	E	29.3	Very low	33.6	Very low	197 Å²	197	150.5 Å²	150.5	92%	0.921	85%	0.849	S	S	*	*			trans	169.5	151.4	138.7	-97.8	179.6	-168.6	0	0	110.5
109	G	28.9	Very low	33.8	Very low	80 Å²	80	150 Å²	150	83%	0.825	85%	0.847	S	S	*	*			trans	117	63.7	169.6	0	0	0	0	0	117.3
110	L	31.2	Very low	34	Very low	164 Å²	164	154.3 Å²	154.3	86%	0.859	85%	0.851	S	S	*	*			trans	-76.2	144.5	165.8	-168.3	72.7	0	0	0	110.7
111	M	33.6	Very low	33.7	Very low	148 Å²	148	155.5 Å²	155.5	73%	0.729	86%	0.86	S	S	*	*	S	Bend	trans	65.1	96.8	174.9	-70.3	-65.9	167.9	0	0	117.8
112	T	33.4	Very low	33.4	Very low	147 Å²	147	153.4 Å²	153.4	90%	0.902	85%	0.854	S	S	*	*	S	Bend		172.6	73.8	114.6	34	0	0	0	0	114.2
113	S	30.1	Very low	33	Very low	118 Å²	118	155.3 Å²	155.3	83%	0.825	86%	0.86	S	S	*	*			trans	-155.2	24.9	166.8	-149.5	0	0	0	0	116.4	L115	S113-L115 PolarHBondContact O-N 2.87Å
114	L	33.7	Very low	32.6	Very low	164 Å²	164	153 Å²	153	86%	0.859	85%	0.85	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	8.9	-169.2	-99	167.4	0	0	0	116.5
115	L	36.1	Very low	32.6	Very low	172 Å²	172	149.9 Å²	149.9	90%	0.901	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	25.1	-166.7	-76.6	176.7	0	0	0	117.2	S113	S113-L115 PolarHBondContact O-N 2.87Å
116	K	32.1	Very low	32.6	Very low	212 Å²	212	145.5 Å²	145.5	92%	0.922	83%	0.834	S	S	*	*	S	Bend	trans	-139.2	112.1	162.3	-90.8	-175.2	175.9	177	0	110.9
117	G	33.4	Very low	32.9	Very low	71 Å²	71	145.8 Å²	145.8	73%	0.732	83%	0.83	S	S	*	*			trans	153.6	-18.9	178.8	0	0	0	0	0	115.1	K119	G117-K119 PolarHBondContact O-N 3.45Å; G117-K119 VanDerWaalsContact O-N 3.13Å
118	V	36	Very low	33.2	Very low	147 Å²	147	148 Å²	148	89%	0.891	83%	0.831	S	S	*	*			trans	-90.2	73.5	-178.9	-170	0	0	0	0	111.6
119	K	35	Very low	33.8	Very low	189 Å²	189	144.4 Å²	144.4	82%	0.822	82%	0.822	S	S	*	*	S	Bend	trans	-169.9	154	154.1	-107.3	168.6	-168.7	-175.6	0	109.3	G117	G117-K119 PolarHBondContact O-N 3.45Å; G117-K119 VanDerWaalsContact O-N 3.13Å
120	E	34	Very low	34.7	Very low	184 Å²	184	145.9 Å²	145.9	86%	0.86	82%	0.82	S	S	*	*			trans	64.9	68.9	172.4	-67.1	169.6	-146.9	0	0	116.6
121	S	29.4	Very low	35.7	Very low	123 Å²	123	146.3 Å²	146.3	86%	0.86	82%	0.82	S	S	*	*				-143.7	127.8	129	-80.8	0	0	0	0	109.5
122	A	33.2	Very low	37.6	Very low	92 Å²	92	142.8 Å²	142.8	76%	0.76	82%	0.815	S	S	*	*			trans	-72.5	160.1	173.7	0	0	0	0	0	110.3	S124	A122-S124 VanDerWaalsContact C-N 3.32Å; A122-S124 PolarHBondContact O-N 3.5Å
123	F	32.9	Very low	40	Very low	211 Å²	211	142.6 Å²	142.6	93%	0.925	81%	0.807	S	S	*	*			trans	-66	88.7	171.6	-80.3	-98.3	0	0	0	110.5	T125	F123-T125 PolarHBondContact O-N 2.94Å
124	S	28.8	Very low	42.6	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	79%	0.786	S	S	*	*			trans	-71.7	117.3	153.4	52.9	0	0	0	0	107.5	A122 S126	A122-S124 VanDerWaalsContact C-N 3.32Å; A122-S124 PolarHBondContact O-N 3.5Å; S124-S126 PolarHBondContact O-N 3.27Å
125	T	34.5	Very low	45.3	Very low	127 Å²	127	136.8 Å²	136.8	78%	0.779	76%	0.764	S	S	*	*			trans	-70.1	87.1	169.4	46.7	0	0	0	0	108.3	F123 H127	F123-T125 PolarHBondContact O-N 2.94Å; T125-H127 PolarHBondContact O-N 3.39Å
126	S	34.3	Very low	47.7	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	73%	0.733	S	S	*	*			trans	-62	109	168.3	45.4	0	0	0	0	108.3	S124 Q128	S124-S126 PolarHBondContact O-N 3.27Å; S126-Q128 PolarHBondContact O-N 3.44Å
127	H	37.2	Very low	50.5	Low	173 Å²	173	125.9 Å²	125.9	80%	0.801	72%	0.717	S	S	*	*			trans	-57.9	111.1	161.3	-79.2	-62.4	0	0	0	106.9	T125 T129	T125-H127 PolarHBondContact O-N 3.39Å; H127-T129 PolarHBondContact O-N 3.01Å
128	Q	40.2	Very low	53.2	Low	190 Å²	190	127.9 Å²	127.9	89%	0.888	71%	0.711	S	S	*	*			trans	-66.5	89.4	165.3	-75.4	-175.8	-33.7	0	0	107.4	S126 S130	S126-Q128 PolarHBondContact O-N 3.44Å; Q128-S130 VanDerWaalsContact C-N 3.32Å; Q128-S130 PolarHBondContact O-N 3.45Å
129	T	42.4	Very low	55.9	Low	122 Å²	122	124.6 Å²	124.6	75%	0.748	69%	0.686	S	S	*	*			trans	-58	101.2	161.7	26.8	0	0	0	0	107.3	H127 M131	H127-T129 PolarHBondContact O-N 3.01Å; T129-M131 PolarHBondContact O-N 3Å
130	S	46.8	Very low	58.4	Low	112 Å²	112	123.2 Å²	123.2	78%	0.783	69%	0.694	S	S	*	*			trans	-59.7	103	172.7	-175.7	0	0	0	0	107.9	Q128 A132	Q128-S130 VanDerWaalsContact C-N 3.32Å; Q128-S130 PolarHBondContact O-N 3.45Å; S130-A132 PolarHBondContact O-N 3.35Å
131	M	52.2	Low	61	Low	172 Å²	172	116.4 Å²	116.4	85%	0.847	67%	0.673	S	S	*	*			trans	-72.4	82.3	170.1	-70	-173	69.5	0	0	107.6	T129 I133	T129-M131 PolarHBondContact O-N 3Å; M131-I133 VanDerWaalsContact C-N 3.35Å; M131-I133 PolarHBondContact O-N 3.17Å
132	A	73.4	Confident	63.8	Low	75 Å²	75	117.7 Å²	117.7	62%	0.62	68%	0.678	S	S	*	*			trans	-67.6	94.1	174.2	0	0	0	0	0	108.9	S130 Q134	S130-A132 PolarHBondContact O-N 3.35Å; A132-Q134 PolarHBondContact O-N 3.4Å
133	I	83.5	Confident	66.7	Low	143 Å²	143	116.3 Å²	116.3	73%	0.733	66%	0.663	S	S	*	*			trans	-57.2	123.4	173.8	-55.9	170.2	0	0	0	108.1	M131	M131-I133 VanDerWaalsContact C-N 3.35Å; M131-I133 PolarHBondContact O-N 3.17Å
134	Q	86.3	Confident	69.6	Low	82 Å²	82	112.6 Å²	112.6	38%	0.383	64%	0.644	S	S	.	*			trans	-94.8	145.7	171.9	-58.3	-170.3	70	0	0	109.3	A132 N136 D137 N138 D147	A132-Q134 PolarHBondContact O-N 3.4Å; Q134-N136 PolarHBondContact O-N 2.76Å; Q134-D137 WeakPolarHBondContact CB-OD2 3.35Å; Q134-D137 PolarHBondContact N-OD2 3.29Å; Q134-D137 WeakPolarHBondContact O-CB 3.15Å; Q134-D137 PolarHBondContact O-N 2.96Å; Q134-N138 PolarHBondContact O-ND2 2.92Å; Q134-D147 WeakPolarHBondContact CA-OD1 3.18Å
135	L	89.6	Confident	72.7	Confident	77 Å²	77	111 Å²	111	40%	0.403	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-63.1	-37.5	175.2	-61.9	176.8	0	0	0	110.5	D137 N138 D147 F150	L135-D137 PolarHBondContact O-N 3.44Å; L135-N138 WeakPolarHBondContact O-CB 3.21Å; L135-N138 PolarHBondContact O-N 2.77Å; L135-N138 VanDerWaalsContact O-N 3.11Å; L135-N138 PolarHBondContact O-ND2 3.32Å; L135-D147 WeakPolarHBondContact CA-OD2 3.42Å; L135-D147 WeakPolarHBondContact CB-OD2 3.17Å; L135-D147 VanDerWaalsContact N-CG 3.3Å; L135-D147 PolarHBondContact N-OD1 2.96Å; L135-D147 PolarHBondContact N-OD2 2.84Å; L135-F150 HydrophobicContact CD1-CD2 3.92Å; L135-F150 HydrophobicContact CD1-CE2 3.69Å
136	N	86.9	Confident	75.6	Confident	45 Å²	45	109.6 Å²	109.6	24%	0.241	61%	0.609	C	S	.	*	G	3₁₀ helix	trans	-59.5	-26.6	176.1	-64.6	-19.7	0	0	0	113.4	Q134 N138 M139 D145 D147	Q134-N136 PolarHBondContact O-N 2.76Å; N136-N138 PolarHBondContact O-N 3.32Å; N136-N138 VanDerWaalsContact O-N 3.09Å; N136-M139 WeakPolarHBondContact O-CB 3.46Å; N136-M139 PolarHBondContact O-N 2.96Å; N136-D145 PolarHBondContact ND2-OD1 3.19Å; N136-D147 WeakPolarHBondContact CB-OD2 3.23Å; N136-D147 PolarHBondContact N-OD2 3.46Å; N136-D147 PolarHBondContact ND2-OD2 2.95Å; N136-D147 PolarHBondContact OD1-OD2 2.91Å
137	D	89.8	Confident	78.4	Confident	110 Å²	110	105.9 Å²	105.9	59%	0.588	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-61.7	-19.5	176.5	-60.9	-31.1	0	0	0	112.5	Q134 L135	Q134-D137 WeakPolarHBondContact CB-OD2 3.35Å; Q134-D137 PolarHBondContact N-OD2 3.29Å; Q134-D137 WeakPolarHBondContact O-CB 3.15Å; Q134-D137 PolarHBondContact O-N 2.96Å; L135-D137 PolarHBondContact O-N 3.44Å
138	N	91	Very high	81.2	Confident	113 Å²	113	99.7 Å²	99.7	60%	0.604	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-95	1.1	-179.9	-57.8	-92.5	0	0	0	112.8	Q134 L135 N136	Q134-N138 PolarHBondContact O-ND2 2.92Å; L135-N138 WeakPolarHBondContact O-CB 3.21Å; L135-N138 PolarHBondContact O-N 2.77Å; L135-N138 VanDerWaalsContact O-N 3.11Å; L135-N138 PolarHBondContact O-ND2 3.32Å; N136-N138 PolarHBondContact O-N 3.32Å; N136-N138 VanDerWaalsContact O-N 3.09Å
139	M	92.6	Very high	83.8	Confident	78 Å²	78	94.5 Å²	94.5	38%	0.384	53%	0.532	S	S	.	.			trans	-98.4	120.7	-172	-57	-62.8	162	0	0	111.5	N136 G141 S143 Y146	N136-M139 WeakPolarHBondContact O-CB 3.46Å; N136-M139 PolarHBondContact O-N 2.96Å; M139-G141 PolarHBondContact O-N 3.06Å; M139-S143 WeakPolarHBondContact CB-OG 3.11Å; M139-Y146 HydrophobicContact CE-CD2 4.15Å; M139-Y146 HydrophobicContact CE-CE2 4.11Å
140	V	87.8	Confident	86.3	Confident	160 Å²	160	93.6 Å²	93.6	97%	0.97	52%	0.517	S	S	*	.	S	Bend	trans	-80.4	4	-171.7	-170.7	0	0	0	0	113.2
141	G	88.3	Confident	88.6	Confident	41 Å²	41	93.1 Å²	93.1	42%	0.423	50%	0.501	S	S	.	.	S	Bend	trans	-175.8	-171.8	-179.6	0	0	0	0	0	112.8	M139 S143	M139-G141 PolarHBondContact O-N 3.06Å; G141-S143 PolarHBondContact O-N 3.07Å; G141-S143 VanDerWaalsContact O-N 3.11Å; G141-S143 PolarHBondContact O-OG 3.24Å
142	P	88.6	Confident	90.7	Very high	150 Å²	150	91 Å²	91	97%	0.974	49%	0.489	S	S	*	.	S	Bend	trans	-54	117.8	178.6	-25.5	35.1	0	0	0	111.4
143	S	94.1	Very high	91.7	Very high	63 Å²	63	91.8 Å²	91.8	44%	0.441	48%	0.481	S	S	.	.			trans	-133.3	168.4	-171.7	49	0	0	0	0	110.5	M139 G141	M139-S143 WeakPolarHBondContact CB-OG 3.11Å; G141-S143 PolarHBondContact O-N 3.07Å; G141-S143 VanDerWaalsContact O-N 3.11Å; G141-S143 PolarHBondContact O-OG 3.24Å
144	Y	94.4	Very high	92.3	Very high	134 Å²	134	88.3 Å²	88.3	53%	0.525	46%	0.463	S	S	.	.			trans	-69.2	135	168.6	-176.4	-94.5	0	0	0	109.4	Y146 F149	Y144-Y146 VanDerWaalsContact C-N 3.35Å; Y144-Y146 AromaticContact CD1-CD1 3.76Å; Y144-Y146 HydrophobicContact CD1-CD1 3.76Å; Y144-Y146 HydrophobicContact CD1-CD2 4.49Å; Y144-Y146 AromaticContact CD1-CE1 3.84Å; Y144-Y146 HydrophobicContact CD1-CE1 3.84Å; Y144-Y146 HydrophobicContact CD1-CG 4.1Å; Y144-Y146 HydrophobicContact CE1-CD1 4.32Å; Y144-Y146 WeakPolarHBondContact O-CD2 3.38Å; Y144-Y146 WeakPolarHBondContact O-CE2 3.46Å; Y144-Y146 PolarHBondContact O-N 3.11Å; Y144-F149 HydrophobicContact CE1-CB 3.86Å; Y144-F149 HydrophobicContact CE1-CG 4.12Å; Y144-F149 VanDerWaalsContact OH-CD2 3.28Å; Y144-F149 WeakPolarHBondContact OH-CD2 3.44Å
145	D	93.8	Very high	92.7	Very high	68 Å²	68	87.9 Å²	87.9	36%	0.364	46%	0.461	S	S	.	.			trans	-79.2	84	-179.9	-172.7	-7	0	0	0	110.9	N136 D147 S148 F149	N136-D145 PolarHBondContact ND2-OD1 3.19Å; D145-D147 VanDerWaalsContact C-N 3.3Å; D145-D147 PolarHBondContact O-N 3.45Å; D145-D147 PolarHBondContact OD1-N 3.41Å; D145-S148 VanDerWaalsContact CG-CB 3.42Å; D145-S148 VanDerWaalsContact CG-OG 3.22Å; D145-S148 PolarHBondContact OD1-N 2.92Å; D145-S148 PolarHBondContact OD1-OG 3.18Å; D145-S148 WeakPolarHBondContact OD2-CB 3.47Å; D145-S148 PolarHBondContact OD2-OG 3.05Å; D145-F149 PolarHBondContact O-N 3.36Å; D145-F149 VanDerWaalsContact O-N 3.14Å
146	Y	94.1	Very high	92.9	Very high	97 Å²	97	90.4 Å²	90.4	38%	0.38	47%	0.471	S	S	.	.	H	α-helix	trans	-62.9	-37.7	177.7	-61.7	-79.3	0	0	0	111.8	M139 Y144 F149 F150	M139-Y146 HydrophobicContact CE-CD2 4.15Å; M139-Y146 HydrophobicContact CE-CE2 4.11Å; Y144-Y146 VanDerWaalsContact C-N 3.35Å; Y144-Y146 AromaticContact CD1-CD1 3.76Å; Y144-Y146 HydrophobicContact CD1-CD1 3.76Å; Y144-Y146 HydrophobicContact CD1-CD2 4.49Å; Y144-Y146 AromaticContact CD1-CE1 3.84Å; Y144-Y146 HydrophobicContact CD1-CE1 3.84Å; Y144-Y146 HydrophobicContact CD1-CG 4.1Å; Y144-Y146 HydrophobicContact CE1-CD1 4.32Å; Y144-Y146 WeakPolarHBondContact O-CD2 3.38Å; Y144-Y146 WeakPolarHBondContact O-CE2 3.46Å; Y144-Y146 PolarHBondContact O-N 3.11Å; Y146-F149 PolarHBondContact O-N 2.98Å; Y146-F150 WeakPolarHBondContact O-CD2 3.21Å; Y146-F150 WeakPolarHBondContact O-CG 3.38Å; Y146-F150 PolarHBondContact O-N 2.9Å
147	D	93.9	Very high	92.9	Very high	19 Å²	19	91.9 Å²	91.9	10%	0.102	48%	0.475	C	S	.	.	H	α-helix	trans	-65	-43.2	-178.5	-68.4	-75.8	0	0	0	111.7	Q134 L135 N136 D145 K151	Q134-D147 WeakPolarHBondContact CA-OD1 3.18Å; L135-D147 WeakPolarHBondContact CA-OD2 3.42Å; L135-D147 WeakPolarHBondContact CB-OD2 3.17Å; L135-D147 VanDerWaalsContact N-CG 3.3Å; L135-D147 PolarHBondContact N-OD1 2.96Å; L135-D147 PolarHBondContact N-OD2 2.84Å; N136-D147 WeakPolarHBondContact CB-OD2 3.23Å; N136-D147 PolarHBondContact N-OD2 3.46Å; N136-D147 PolarHBondContact ND2-OD2 2.95Å; N136-D147 PolarHBondContact OD1-OD2 2.91Å; D145-D147 VanDerWaalsContact C-N 3.3Å; D145-D147 PolarHBondContact O-N 3.45Å; D145-D147 PolarHBondContact OD1-N 3.41Å; D147-K151 WeakPolarHBondContact O-CB 3.43Å; D147-K151 WeakPolarHBondContact O-CD 3.39Å; D147-K151 VanDerWaalsContact O-CE 3.3Å; D147-K151 WeakPolarHBondContact O-CE 3.44Å; D147-K151 WeakPolarHBondContact O-CG 3.32Å; D147-K151 PolarHBondContact O-N 2.81Å
148	S	94.8	Very high	93	Very high	42 Å²	42	91.1 Å²	91.1	29%	0.294	47%	0.467	S	S	.	.	H	α-helix	trans	-68.6	-42.8	175.2	-63.8	0	0	0	0	112.1	D145 F150 K151 E152	D145-S148 VanDerWaalsContact CG-CB 3.42Å; D145-S148 VanDerWaalsContact CG-OG 3.22Å; D145-S148 PolarHBondContact OD1-N 2.92Å; D145-S148 PolarHBondContact OD1-OG 3.18Å; D145-S148 WeakPolarHBondContact OD2-CB 3.47Å; D145-S148 PolarHBondContact OD2-OG 3.05Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 2.87Å; S148-K151 WeakPolarHBondContact O-CB 3.49Å; S148-K151 PolarHBondContact O-N 3.33Å; S148-K151 VanDerWaalsContact O-N 3.15Å; S148-E152 WeakPolarHBondContact O-CG 3.29Å; S148-E152 PolarHBondContact O-N 2.86Å
149	F	95.3	Very high	92.9	Very high	81 Å²	81	93.2 Å²	93.2	36%	0.355	47%	0.471	S	S	.	.	H	α-helix	trans	-56.9	-45.3	175.6	175.1	-103.2	0	0	0	112.6	Y144 D145 Y146 E152 M153	Y144-F149 HydrophobicContact CE1-CB 3.86Å; Y144-F149 HydrophobicContact CE1-CG 4.12Å; Y144-F149 VanDerWaalsContact OH-CD2 3.28Å; Y144-F149 WeakPolarHBondContact OH-CD2 3.44Å; D145-F149 PolarHBondContact O-N 3.36Å; D145-F149 VanDerWaalsContact O-N 3.14Å; Y146-F149 PolarHBondContact O-N 2.98Å; F149-E152 PolarHBondContact O-N 3.47Å; F149-M153 HydrophobicContact CD1-SD 4.3Å; F149-M153 HydrophobicContact CE1-CG 4.34Å; F149-M153 HydrophobicContact CE1-SD 3.53Å; F149-M153 VanDerWaalsContact CE1-SD 3.53Å; F149-M153 HydrophobicContact CE2-CG 4.47Å; F149-M153 HydrophobicContact CE2-SD 4.44Å; F149-M153 HydrophobicContact CZ-CG 4.19Å; F149-M153 HydrophobicContact CZ-SD 3.61Å; F149-M153 WeakPolarHBondContact O-CG 3.46Å; F149-M153 PolarHBondContact O-N 3.33Å; F149-M153 VanDerWaalsContact O-N 3.11Å
150	F	95.1	Very high	92.5	Very high	103 Å²	103	91.4 Å²	91.4	45%	0.452	46%	0.462	S	S	.	.	H	α-helix	trans	-70.1	-33.5	176.9	-66.4	-48.8	0	0	0	113	L135 Y146 S148 M153 I154	L135-F150 HydrophobicContact CD1-CD2 3.92Å; L135-F150 HydrophobicContact CD1-CE2 3.69Å; Y146-F150 WeakPolarHBondContact O-CD2 3.21Å; Y146-F150 WeakPolarHBondContact O-CG 3.38Å; Y146-F150 PolarHBondContact O-N 2.9Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 2.87Å; F150-M153 HydrophobicContact CD1-SD 4.49Å; F150-I154 VanDerWaalsContact O-CG1 3.31Å; F150-I154 WeakPolarHBondContact O-CG1 3.49Å; F150-I154 PolarHBondContact O-N 3.28Å
151	K	95.2	Very high	92.4	Very high	103 Å²	103	87.9 Å²	87.9	45%	0.448	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-45.8	171.6	-70.1	158.1	-158.2	162.7	0	110.6	D147 S148 I154 E155	D147-K151 WeakPolarHBondContact O-CB 3.43Å; D147-K151 WeakPolarHBondContact O-CD 3.39Å; D147-K151 VanDerWaalsContact O-CE 3.3Å; D147-K151 WeakPolarHBondContact O-CE 3.44Å; D147-K151 WeakPolarHBondContact O-CG 3.32Å; D147-K151 PolarHBondContact O-N 2.81Å; S148-K151 WeakPolarHBondContact O-CB 3.49Å; S148-K151 PolarHBondContact O-N 3.33Å; S148-K151 VanDerWaalsContact O-N 3.15Å; K151-I154 PolarHBondContact O-N 3.09Å; K151-I154 VanDerWaalsContact O-N 3.13Å; K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 2.95Å
152	E	96.5	Very high	92.1	Very high	127 Å²	127	86.1 Å²	86.1	59%	0.593	42%	0.416	S	S	*	.	H	α-helix	trans	-59	-48.8	178.2	-73.4	175.6	173.1	0	0	112.2	S148 F149 I154 E155 E156	S148-E152 WeakPolarHBondContact O-CG 3.29Å; S148-E152 PolarHBondContact O-N 2.86Å; F149-E152 PolarHBondContact O-N 3.47Å; E152-I154 PolarHBondContact O-N 3.21Å; E152-E155 PolarHBondContact O-N 3.21Å; E152-E155 VanDerWaalsContact O-N 3.12Å; E152-E156 PolarHBondContact O-N 3.26Å
153	M	94.1	Very high	92.3	Very high	92 Å²	92	84.4 Å²	84.4	45%	0.453	39%	0.391	S	S	.	.	H	α-helix	trans	-57.7	-31.2	175.2	-70	-169.5	79.5	0	0	113.6	F149 F150	F149-M153 HydrophobicContact CD1-SD 4.3Å; F149-M153 HydrophobicContact CE1-CG 4.34Å; F149-M153 HydrophobicContact CE1-SD 3.53Å; F149-M153 VanDerWaalsContact CE1-SD 3.53Å; F149-M153 HydrophobicContact CE2-CG 4.47Å; F149-M153 HydrophobicContact CE2-SD 4.44Å; F149-M153 HydrophobicContact CZ-CG 4.19Å; F149-M153 HydrophobicContact CZ-SD 3.61Å; F149-M153 WeakPolarHBondContact O-CG 3.46Å; F149-M153 PolarHBondContact O-N 3.33Å; F149-M153 VanDerWaalsContact O-N 3.11Å; F150-M153 HydrophobicContact CD1-SD 4.49Å
154	I	95.6	Very high	92.1	Very high	69 Å²	69	86.8 Å²	86.8	35%	0.354	39%	0.391	S	S	.	.	H	α-helix	trans	-79.7	-38.5	176.7	-67.3	-65.9	0	0	0	111.3	F150 K151 E152 K157 K158 Y163	F150-I154 VanDerWaalsContact O-CG1 3.31Å; F150-I154 WeakPolarHBondContact O-CG1 3.49Å; F150-I154 PolarHBondContact O-N 3.28Å; K151-I154 PolarHBondContact O-N 3.09Å; K151-I154 VanDerWaalsContact O-N 3.13Å; E152-I154 PolarHBondContact O-N 3.21Å; I154-K157 PolarHBondContact O-N 3.4Å; I154-K157 VanDerWaalsContact O-N 3.15Å; I154-K158 PolarHBondContact O-N 3.08Å; I154-Y163 HydrophobicContact CD1-CE2 4.24Å; I154-Y163 HydrophobicContact CG2-CD2 4.18Å; I154-Y163 HydrophobicContact CG2-CE2 3.88Å
155	E	95.4	Very high	92	Very high	73 Å²	73	85.5 Å²	85.5	34%	0.341	40%	0.397	S	S	.	.	H	α-helix	trans	-66.4	-34.2	174.6	-68.2	-50.5	130.1	0	0	112.6	K151 E152 K157 K158 K159	K151-E155 WeakPolarHBondContact O-CG 3.44Å; K151-E155 PolarHBondContact O-N 2.95Å; E152-E155 PolarHBondContact O-N 3.21Å; E152-E155 VanDerWaalsContact O-N 3.12Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.45Å; E155-K158 PolarHBondContact O-N 2.93Å; E155-K158 WeakPolarHBondContact OE1-CD 3.23Å; E155-K158 WeakPolarHBondContact OE1-CE 3.3Å; E155-K158 IonicContact OE1-NZ 2.84Å; E155-K158 PolarHBondContact OE1-NZ 3.07Å; E155-K158 WeakPolarHBondContact OE2-CD 3.43Å; E155-K159 WeakPolarHBondContact O-CB 3.23Å; E155-K159 WeakPolarHBondContact O-CD 3.4Å; E155-K159 WeakPolarHBondContact O-CG 3.3Å; E155-K159 PolarHBondContact O-N 3.2Å
156	E	92.7	Very high	92.1	Very high	130 Å²	130	90.2 Å²	90.2	61%	0.607	41%	0.414	S	S	*	.	H	α-helix	trans	-55.6	-44.9	168.3	-73.4	-174.4	159.9	0	0	111.5	E152 K158 K159 D160	E152-E156 PolarHBondContact O-N 3.26Å; E156-K158 PolarHBondContact O-N 2.84Å; E156-K159 PolarHBondContact O-N 3.12Å; E156-D160 PolarHBondContact O-N 3.19Å
157	K	87.6	Confident	92.1	Very high	76 Å²	76	87.3 Å²	87.3	33%	0.33	40%	0.403	S	S	.	.	H	α-helix	trans	-70.9	-26.5	178.8	-69	-153.1	141.9	-60.8	0	114.4	I154 E155 D160 T162 Y163	I154-K157 PolarHBondContact O-N 3.4Å; I154-K157 VanDerWaalsContact O-N 3.15Å; E155-K157 VanDerWaalsContact C-N 3.29Å; E155-K157 PolarHBondContact O-N 3.45Å; K157-D160 VanDerWaalsContact CA-OD1 3.29Å; K157-D160 WeakPolarHBondContact CA-OD1 3.43Å; K157-T162 PolarHBondContact NZ-OG1 3.48Å; K157-T162 PolarHBondContact O-N 3.19Å; K157-Y163 HydrophobicContact CB-CD2 4.37Å; K157-Y163 VanDerWaalsContact O-CB 3.3Å; K157-Y163 WeakPolarHBondContact O-CB 3.32Å; K157-Y163 PolarHBondContact O-N 3.18Å
158	K	91.9	Very high	92.2	Very high	94 Å²	94	90.1 Å²	90.1	41%	0.409	42%	0.421	S	S	.	.	H	α-helix	trans	-72.7	-47.1	172.1	-69.8	172.3	-175.4	170.7	0	110.3	I154 E155 E156 D160 H161 Y163	I154-K158 PolarHBondContact O-N 3.08Å; E155-K158 PolarHBondContact O-N 2.93Å; E155-K158 WeakPolarHBondContact OE1-CD 3.23Å; E155-K158 WeakPolarHBondContact OE1-CE 3.3Å; E155-K158 IonicContact OE1-NZ 2.84Å; E155-K158 PolarHBondContact OE1-NZ 3.07Å; E155-K158 WeakPolarHBondContact OE2-CD 3.43Å; E156-K158 PolarHBondContact O-N 2.84Å; K158-D160 VanDerWaalsContact C-N 3.29Å; K158-D160 PolarHBondContact O-N 2.68Å; K158-H161 PolarHBondContact O-N 3.09Å; K158-Y163 HydrophobicContact CG-CD1 4.48Å; K158-Y163 HydrophobicContact CG-CD2 4.45Å; K158-Y163 HydrophobicContact CG-CG 4.1Å
159	K	89.9	Confident	92.2	Very high	157 Å²	157	89.9 Å²	89.9	68%	0.683	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-30.7	178.5	-68.6	163.3	-171.8	169	0	113.4	E155 E156 H161	E155-K159 WeakPolarHBondContact O-CB 3.23Å; E155-K159 WeakPolarHBondContact O-CD 3.4Å; E155-K159 WeakPolarHBondContact O-CG 3.3Å; E155-K159 PolarHBondContact O-N 3.2Å; E156-K159 PolarHBondContact O-N 3.12Å; K159-H161 PolarHBondContact O-CD2 2.86Å
160	D	82.8	Confident	92.3	Very high	40 Å²	40	90.1 Å²	90.1	21%	0.214	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.8	178.3	93.4	-25.7	0	0	0	114.5	E156 K157 K158 T162 R512	E156-D160 PolarHBondContact O-N 3.19Å; K157-D160 VanDerWaalsContact CA-OD1 3.29Å; K157-D160 WeakPolarHBondContact CA-OD1 3.43Å; K158-D160 VanDerWaalsContact C-N 3.29Å; K158-D160 PolarHBondContact O-N 2.68Å; D160-T162 PolarHBondContact O-N 3.16Å; D160-T162 WeakPolarHBondContact OD1-CA 3.46Å; D160-T162 VanDerWaalsContact OD1-CB 3.26Å; D160-T162 WeakPolarHBondContact OD1-CB 3.25Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.44Å; D160-T162 PolarHBondContact OD1-N 3.19Å; D160-T162 PolarHBondContact OD1-OG1 2.9Å; D160-T162 WeakPolarHBondContact OD2-CG2 3.48Å; D160-T162 PolarHBondContact OD2-OG1 3.48Å; D160-R512 IonicContact OD2-CZ 3.4Å; D160-R512 VanDerWaalsContact OD2-CZ 3.26Å; D160-R512 IonicContact OD2-NH1 2.78Å; D160-R512 PolarHBondContact OD2-NH1 3.36Å; D160-R512 IonicContact OD2-NH2 2.7Å; D160-R512 PolarHBondContact OD2-NH2 3.43Å
161	H	86.4	Confident	92.5	Very high	86 Å²	86	89.5 Å²	89.5	40%	0.398	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	27.6	-177.5	-58.2	-110.1	0	0	0	114.6	K158 K159 A484 E485	K158-H161 PolarHBondContact O-N 3.09Å; K159-H161 PolarHBondContact O-CD2 2.86Å; H161-A484 HydrophobicContact CB-CB 4.11Å; H161-E485 IonicContact CE1-OE1 2.73Å
162	T	82.9	Confident	92.5	Very high	4 Å²	4	86 Å²	86	3%	0.025	41%	0.406	C	S	.	.			trans	-110.6	2.6	173.8	75	0	0	0	0	114.2	K157 D160 R164 F507	K157-T162 PolarHBondContact NZ-OG1 3.48Å; K157-T162 PolarHBondContact O-N 3.19Å; D160-T162 PolarHBondContact O-N 3.16Å; D160-T162 WeakPolarHBondContact OD1-CA 3.46Å; D160-T162 VanDerWaalsContact OD1-CB 3.26Å; D160-T162 WeakPolarHBondContact OD1-CB 3.25Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.44Å; D160-T162 PolarHBondContact OD1-N 3.19Å; D160-T162 PolarHBondContact OD1-OG1 2.9Å; D160-T162 WeakPolarHBondContact OD2-CG2 3.48Å; D160-T162 PolarHBondContact OD2-OG1 3.48Å; T162-R164 WeakPolarHBondContact O-CG 3.41Å; T162-F507 HydrophobicContact CG2-CB 3.89Å; T162-F507 HydrophobicContact CG2-CD1 4.1Å; T162-F507 HydrophobicContact CG2-CG 4.48Å
163	Y	91.3	Very high	92.6	Very high	115 Å²	115	82.3 Å²	82.3	45%	0.451	40%	0.397	S	S	.	.			trans	-61	134.9	165	-175	-98.1	0	0	0	109.8	I154 K157 K158 V165	I154-Y163 HydrophobicContact CD1-CE2 4.24Å; I154-Y163 HydrophobicContact CG2-CD2 4.18Å; I154-Y163 HydrophobicContact CG2-CE2 3.88Å; K157-Y163 HydrophobicContact CB-CD2 4.37Å; K157-Y163 VanDerWaalsContact O-CB 3.3Å; K157-Y163 WeakPolarHBondContact O-CB 3.32Å; K157-Y163 PolarHBondContact O-N 3.18Å; K158-Y163 HydrophobicContact CG-CD1 4.48Å; K158-Y163 HydrophobicContact CG-CD2 4.45Å; K158-Y163 HydrophobicContact CG-CG 4.1Å; Y163-V165 HydrophobicContact CD1-CG2 4.18Å; Y163-V165 HydrophobicContact CE1-CG2 3.89Å
164	R	90.1	Very high	92.6	Very high	113 Å²	113	87.2 Å²	87.2	43%	0.426	42%	0.416	S	S	.	.			trans	-113.5	110.2	-171.2	-62.6	-176.9	179.8	-164.1	-7.6	110.4	T162 F166 N506 F507 T509	T162-R164 WeakPolarHBondContact O-CG 3.41Å; R164-F166 HydrophobicContact CB-CD1 4.47Å; R164-F166 HydrophobicContact CB-CE1 4.08Å; R164-N506 PolarHBondContact NH2-O 3.26Å; R164-F507 PolarHBondContact NH2-O 3.36Å; R164-F507 VanDerWaalsContact NH2-O 3.16Å; R164-T509 PolarHBondContact NH1-OG1 3.2Å; R164-T509 PolarHBondContact NH2-OG1 3.03Å
165	V	93.1	Very high	92.6	Very high	107 Å²	107	88.8 Å²	88.8	65%	0.648	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-88.2	116.9	162.3	-178.4	0	0	0	0	107	Y163	Y163-V165 HydrophobicContact CD1-CG2 4.18Å; Y163-V165 HydrophobicContact CE1-CG2 3.89Å
166	F	94.9	Very high	92.7	Very high	167 Å²	167	86.4 Å²	86.4	73%	0.732	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-74.6	139.2	-179.4	-57.9	-43.9	0	0	0	111.2	R164	R164-F166 HydrophobicContact CB-CD1 4.47Å; R164-F166 HydrophobicContact CB-CE1 4.08Å
167	K	94.6	Very high	93	Very high	35 Å²	35	80.6 Å²	80.6	15%	0.152	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-80.6	125.9	170.2	-55.7	-54.2	-172.2	177.7	0	109.5	S183 D492 L495 Y501	K167-S183 WeakPolarHBondContact CA-OG 3.36Å; K167-S183 WeakPolarHBondContact CB-OG 3.38Å; K167-D492 WeakPolarHBondContact CE-OD1 3.11Å; K167-D492 IonicContact NZ-OD1 2.65Å; K167-D492 PolarHBondContact NZ-OD1 3.43Å; K167-D492 IonicContact NZ-OD2 2.67Å; K167-L495 HydrophobicContact CB-CD2 4.34Å; K167-L495 HydrophobicContact CD-CD2 3.62Å; K167-L495 HydrophobicContact CG-CD2 3.96Å; K167-Y501 HydrophobicContact CB-CE2 3.9Å; K167-Y501 HydrophobicContact CG-CE2 3.87Å
168	T	95.8	Very high	93.5	Very high	78 Å²	78	78.9 Å²	78.9	48%	0.479	38%	0.378	S	S	.	.			trans	-95	100.6	-171.8	-57	0	0	0	0	109.5	Y182 S183	T168-Y182 PolarHBondContact O-N 3.26Å; T168-S183 PolarHBondContact N-OG 3.38Å
169	V	95.7	Very high	93.7	Very high	38 Å²	38	74.4 Å²	74.4	23%	0.23	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.4	-173.2	-64.6	0	0	0	0	113.9	A179 E180 D181 Y501	V169-A179 HydrophobicContact CB-CB 4.27Å; V169-E180 CarbonylContact C-O 3.57Å; V169-E180 VanDerWaalsContact CA-O 3.3Å; V169-E180 WeakPolarHBondContact CA-O 3.44Å; V169-D181 HydrophobicContact CG1-CB 4.34Å; V169-Y501 HydrophobicContact CG1-CD1 4.08Å; V169-Y501 HydrophobicContact CG1-CE1 4.28Å; V169-Y501 HydrophobicContact CG2-CD1 4.08Å; V169-Y501 HydrophobicContact CG2-CE1 3.72Å
170	N	97.2	Very high	94	Very high	85 Å²	85	71.3 Å²	71.3	46%	0.455	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	105.8	171.7	-70.2	-20.6	0	0	0	109.8	S172 A179 E180 Y182	N170-S172 PolarHBondContact O-N 3.02Å; N170-A179 CarbonylContact O-C 3.59Å; N170-A179 WeakPolarHBondContact O-CA 3.42Å; N170-A179 VanDerWaalsContact O-CB 3.3Å; N170-A179 WeakPolarHBondContact O-CB 3.4Å; N170-E180 HydrophobicContact CB-CB 4.31Å; N170-E180 PolarHBondContact N-O 3.48Å; N170-E180 PolarHBondContact O-N 2.83Å; N170-Y182 HydrophobicContact CB-CE2 4.25Å; N170-Y182 VanDerWaalsContact ND2-CE2 3.29Å; N170-Y182 WeakPolarHBondContact ND2-CE2 3.43Å; N170-Y182 PolarHBondContact ND2-OH 3.04Å
171	R	97.9	Very high	94.6	Very high	91 Å²	91	69.7 Å²	69.7	34%	0.343	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.5	179.1	-70.6	176.5	58.1	-128.5	-7.4	111.6	A173 A179 D199 S204	R171-A173 PolarHBondContact O-N 3.22Å; R171-A179 HydrophobicContact CG-CB 4.45Å; R171-D199 IonicContact CZ-OD2 2.72Å; R171-D199 IonicContact NH1-OD2 2.63Å; R171-D199 IonicContact NH2-OD2 3.49Å; R171-D199 PolarHBondContact NH2-OD2 2.93Å; R171-S204 PolarHBondContact NH1-OG 2.67Å; R171-S204 PolarHBondContact NH2-OG 2.94Å
172	S	96.9	Very high	95	Very high	30 Å²	30	70.6 Å²	70.6	21%	0.21	34%	0.338	C	S	.	.			trans	-82.3	112.5	-178.1	-178.2	0	0	0	0	112.2	N170 K174 Q175 F176 L178	N170-S172 PolarHBondContact O-N 3.02Å; S172-K174 PolarHBondContact O-N 2.73Å; S172-K174 PolarHBondContact OG-N 3.18Å; S172-Q175 PolarHBondContact O-N 2.57Å; S172-Q175 PolarHBondContact OG-N 2.91Å; S172-F176 PolarHBondContact O-N 3.43Å; S172-F176 VanDerWaalsContact O-N 3.09Å; S172-L178 WeakPolarHBondContact CB-O 3.45Å; S172-L178 PolarHBondContact N-O 3.15Å
173	A	96.8	Very high	95.3	Very high	48 Å²	48	71.8 Å²	71.8	40%	0.397	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	7.3	172.1	0	0	0	0	0	114.4	R171 Q205	R171-A173 PolarHBondContact O-N 3.22Å; A173-Q205 HydrophobicContact CB-CB 3.77Å; A173-Q205 PolarHBondContact O-OE1 2.73Å
174	K	95.4	Very high	94.8	Very high	195 Å²	195	68.7 Å²	68.7	85%	0.848	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-17.5	172.8	-65	-179.6	-179.1	176.1	0	112.9	S172	S172-K174 PolarHBondContact O-N 2.73Å; S172-K174 PolarHBondContact OG-N 3.18Å
175	Q	95.5	Very high	94.2	Very high	103 Å²	103	69.4 Å²	69.4	48%	0.481	36%	0.361	S	S	.	.	S	Bend	trans	-146.3	33.3	-168.2	-64	-179.5	-25.5	0	0	111.7	S172 L178	S172-Q175 PolarHBondContact O-N 2.57Å; S172-Q175 PolarHBondContact OG-N 2.91Å; Q175-L178 HydrophobicContact CB-CB 4.49Å; Q175-L178 HydrophobicContact CB-CD1 4.4Å; Q175-L178 WeakPolarHBondContact O-CA 3.33Å; Q175-L178 WeakPolarHBondContact O-CB 3.46Å; Q175-L178 VanDerWaalsContact O-CG 3.28Å; Q175-L178 WeakPolarHBondContact O-CG 3.45Å; Q175-L178 PolarHBondContact O-N 2.64Å
176	F	97.4	Very high	93.3	Very high	23 Å²	23	68.7 Å²	68.7	10%	0.101	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137	173	177.7	-96	0	0	0	110.6	S172 D199 Q205 S522 H524	S172-F176 PolarHBondContact O-N 3.43Å; S172-F176 VanDerWaalsContact O-N 3.09Å; F176-D199 WeakPolarHBondContact CZ-O 3.48Å; F176-Q205 HydrophobicContact CB-CG 4.23Å; F176-S522 WeakPolarHBondContact CE1-OG 3.13Å; F176-H524 HydrophobicContact CD1-CB 3.77Å; F176-H524 AromaticContact CD1-CD2 3.85Å; F176-H524 AromaticContact CD1-CG 3.84Å; F176-H524 HydrophobicContact CE1-CB 3.91Å; F176-H524 AromaticContact CE1-CD2 3.58Å; F176-H524 AromaticContact CE1-CG 3.95Å
177	P	97.8	Very high	92.3	Very high	7 Å²	7	65.8 Å²	65.8	5%	0.045	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92.5	23.9	13.6	37.8	-36.9	0	0	0	115.6	V194 H525 M529	P177-V194 WeakPolarHBondContact O-CB 3.07Å; P177-V194 PolarHBondContact O-N 2.78Å; P177-H525 WeakPolarHBondContact CB-CE1 3.34Å; P177-H525 WeakPolarHBondContact CG-NE2 3.41Å; P177-M529 HydrophobicContact CG-CE 3.74Å
178	L	98.2	Very high	91.6	Very high	41 Å²	41	73.5 Å²	73.5	22%	0.215	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	156.8	179.6	-48.9	-178.9	0	0	0	113.4	S172 Q175 Q191 V192 M529	S172-L178 WeakPolarHBondContact CB-O 3.45Å; S172-L178 PolarHBondContact N-O 3.15Å; Q175-L178 HydrophobicContact CB-CB 4.49Å; Q175-L178 HydrophobicContact CB-CD1 4.4Å; Q175-L178 WeakPolarHBondContact O-CA 3.33Å; Q175-L178 WeakPolarHBondContact O-CB 3.46Å; Q175-L178 VanDerWaalsContact O-CG 3.28Å; Q175-L178 WeakPolarHBondContact O-CG 3.45Å; Q175-L178 PolarHBondContact O-N 2.64Å; L178-Q191 HydrophobicContact CB-CG 4.12Å; L178-Q191 HydrophobicContact CD1-CG 4.02Å; L178-V192 CarbonylContact C-O 3.22Å; L178-V192 VanDerWaalsContact CA-O 3.22Å; L178-V192 WeakPolarHBondContact CA-O 3.5Å; L178-M529 HydrophobicContact CD2-CE 4.29Å
179	A	97.6	Very high	91	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	164.9	175.7	0	0	0	0	0	111.3	V169 N170 R171 Q191 V192 V194	V169-A179 HydrophobicContact CB-CB 4.27Å; N170-A179 CarbonylContact O-C 3.59Å; N170-A179 WeakPolarHBondContact O-CA 3.42Å; N170-A179 VanDerWaalsContact O-CB 3.3Å; N170-A179 WeakPolarHBondContact O-CB 3.4Å; R171-A179 HydrophobicContact CG-CB 4.45Å; A179-Q191 CarbonylContact O-C 3.4Å; A179-Q191 WeakPolarHBondContact O-CA 3.26Å; A179-V192 HydrophobicContact CB-CG2 4.09Å; A179-V192 PolarHBondContact N-O 2.91Å; A179-V192 PolarHBondContact O-N 3.49Å; A179-V194 HydrophobicContact CB-CG2 3.49Å; A179-V194 VanDerWaalsContact CB-CG2 3.49Å
180	E	96.7	Very high	90.6	Very high	91 Å²	91	71.3 Å²	71.3	43%	0.425	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.1	166.9	-58.2	169.8	141.3	0	0	108.7	V169 N170 Y182	V169-E180 CarbonylContact C-O 3.57Å; V169-E180 VanDerWaalsContact CA-O 3.3Å; V169-E180 WeakPolarHBondContact CA-O 3.44Å; N170-E180 HydrophobicContact CB-CB 4.31Å; N170-E180 PolarHBondContact N-O 3.48Å; N170-E180 PolarHBondContact O-N 2.83Å; E180-Y182 HydrophobicContact CB-CE2 3.76Å; E180-Y182 PolarHBondContact OE2-OH 2.83Å
181	D	95.3	Very high	90.6	Very high	6 Å²	6	72 Å²	72	3%	0.032	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.1	175.9	176.5	61.6	0	0	0	112.7	V169 S183 A189 S190 V192	V169-D181 HydrophobicContact CG1-CB 4.34Å; D181-S183 WeakPolarHBondContact OD1-CB 3.3Å; D181-S183 PolarHBondContact OD1-N 2.91Å; D181-S183 PolarHBondContact OD1-OG 2.9Å; D181-S183 PolarHBondContact OD2-N 3.12Å; D181-A189 VanDerWaalsContact O-CA 3.28Å; D181-A189 WeakPolarHBondContact O-CA 3.44Å; D181-S190 PolarHBondContact N-O 3.2Å; D181-S190 PolarHBondContact O-N 2.59Å; D181-V192 HydrophobicContact CB-CG1 3.69Å; D181-V192 HydrophobicContact CB-CG2 4.14Å
182	Y	94	Very high	90.6	Very high	105 Å²	105	67.7 Å²	67.7	41%	0.412	37%	0.369	S	S	.	.			trans	-129.7	16.6	175.3	-56.7	-100.3	0	0	0	111.8	T168 N170 E180 L184 A189	T168-Y182 PolarHBondContact O-N 3.26Å; N170-Y182 HydrophobicContact CB-CE2 4.25Å; N170-Y182 VanDerWaalsContact ND2-CE2 3.29Å; N170-Y182 WeakPolarHBondContact ND2-CE2 3.43Å; N170-Y182 PolarHBondContact ND2-OH 3.04Å; E180-Y182 HydrophobicContact CB-CE2 3.76Å; E180-Y182 PolarHBondContact OE2-OH 2.83Å; Y182-L184 VanDerWaalsContact C-N 3.28Å; Y182-L184 PolarHBondContact O-N 3.2Å; Y182-A189 HydrophobicContact CD1-CB 4.12Å; Y182-A189 HydrophobicContact CE1-CB 3.65Å; Y182-A189 HydrophobicContact CE2-CB 4.37Å
183	S	88.7	Confident	90.6	Very high	30 Å²	30	67.1 Å²	67.1	21%	0.21	37%	0.365	C	S	.	.			trans	-67.6	-27.8	-175.1	-57.4	0	0	0	0	113.2	K167 T168 D181	K167-S183 WeakPolarHBondContact CA-OG 3.36Å; K167-S183 WeakPolarHBondContact CB-OG 3.38Å; T168-S183 PolarHBondContact N-OG 3.38Å; D181-S183 WeakPolarHBondContact OD1-CB 3.3Å; D181-S183 PolarHBondContact OD1-N 2.91Å; D181-S183 PolarHBondContact OD1-OG 2.9Å; D181-S183 PolarHBondContact OD2-N 3.12Å
184	L	81.9	Confident	90.7	Very high	50 Å²	50	65.2 Å²	65.2	26%	0.262	35%	0.348	S	S	.	.	S	Bend	trans	-93.7	106.4	178.1	-74	175.9	0	0	0	111.7	Y182 G186 R187 E496	Y182-L184 VanDerWaalsContact C-N 3.28Å; Y182-L184 PolarHBondContact O-N 3.2Å; L184-G186 PolarHBondContact O-N 2.65Å; L184-R187 HydrophobicContact CB-CB 3.82Å; L184-R187 VanDerWaalsContact CD1-CD 3.47Å; L184-R187 WeakPolarHBondContact O-CB 3.38Å; L184-R187 PolarHBondContact O-N 2.88Å; L184-R187 VanDerWaalsContact O-N 3.14Å; L184-E496 HydrophobicContact CD1-CB 4.25Å; L184-E496 HydrophobicContact CD1-CG 3.88Å; L184-E496 HydrophobicContact CD2-CG 4.27Å; L184-E496 HydrophobicContact CG-CG 4.25Å
185	S	76.4	Confident	90.9	Very high	128 Å²	128	56 Å²	56	90%	0.895	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	128.9	174.8	-60.6	0	0	0	0	111.9	R187	S185-R187 VanDerWaalsContact C-N 3.3Å; S185-R187 PolarHBondContact O-N 3.38Å
186	G	74	Confident	91	Very high	91 Å²	91	52.1 Å²	52.1	94%	0.938	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-11.4	-179.8	0	0	0	0	0	115.5	L184	L184-G186 PolarHBondContact O-N 2.65Å
187	R	75.4	Confident	91.1	Very high	107 Å²	107	51.9 Å²	51.9	40%	0.404	29%	0.294	S	S	.	.	S	Bend	trans	-78.1	144.1	169.1	-167.5	173.6	163.1	156.8	-9.7	109.1	L184 S185 S190 E496 N499	L184-R187 HydrophobicContact CB-CB 3.82Å; L184-R187 VanDerWaalsContact CD1-CD 3.47Å; L184-R187 WeakPolarHBondContact O-CB 3.38Å; L184-R187 PolarHBondContact O-N 2.88Å; L184-R187 VanDerWaalsContact O-N 3.14Å; S185-R187 VanDerWaalsContact C-N 3.3Å; S185-R187 PolarHBondContact O-N 3.38Å; R187-S190 PolarHBondContact NE-OG 2.72Å; R187-S190 PolarHBondContact NH2-OG 3.42Å; R187-E496 PolarHBondContact NH1-O 3.27Å; R187-E496 PolarHBondContact NH2-O 3.02Å; R187-N499 PolarHBondContact NH2-OD1 3.01Å
188	K	79.2	Confident	91.1	Very high	196 Å²	196	54 Å²	54	85%	0.852	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-68.4	147.3	166	-76.1	-174.3	176.7	-179.4	0	109.1	S190	K188-S190 PolarHBondContact O-N 3.39Å
189	A	82.6	Confident	91.1	Very high	50 Å²	50	52.5 Å²	52.5	41%	0.413	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-51.3	125.3	178.9	0	0	0	0	0	111.5	D181 Y182	D181-A189 VanDerWaalsContact O-CA 3.28Å; D181-A189 WeakPolarHBondContact O-CA 3.44Å; Y182-A189 HydrophobicContact CD1-CB 4.12Å; Y182-A189 HydrophobicContact CE1-CB 3.65Å; Y182-A189 HydrophobicContact CE2-CB 4.37Å
190	S	88.9	Confident	91.2	Very high	21 Å²	21	52.5 Å²	52.5	15%	0.147	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.3	178.3	37.2	0	0	0	0	111.2	D181 R187 K188	D181-S190 PolarHBondContact N-O 3.2Å; D181-S190 PolarHBondContact O-N 2.59Å; R187-S190 PolarHBondContact NE-OG 2.72Å; R187-S190 PolarHBondContact NH2-OG 3.42Å; K188-S190 PolarHBondContact O-N 3.39Å
191	Q	95.6	Very high	91.3	Very high	99 Å²	99	48.2 Å²	48.2	46%	0.463	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.2	176.3	178.7	160.4	80.4	0	0	110.4	L178 A179 N499	L178-Q191 HydrophobicContact CB-CG 4.12Å; L178-Q191 HydrophobicContact CD1-CG 4.02Å; A179-Q191 CarbonylContact O-C 3.4Å; A179-Q191 WeakPolarHBondContact O-CA 3.26Å; Q191-N499 WeakPolarHBondContact O-CB 3.39Å
192	V	97.5	Very high	91.4	Very high	1 Å²	1	48 Å²	48	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.9	-178.3	-55.8	0	0	0	0	111.4	L178 A179 D181 V194 L495 N499	L178-V192 CarbonylContact C-O 3.22Å; L178-V192 VanDerWaalsContact CA-O 3.22Å; L178-V192 WeakPolarHBondContact CA-O 3.5Å; A179-V192 HydrophobicContact CB-CG2 4.09Å; A179-V192 PolarHBondContact N-O 2.91Å; A179-V192 PolarHBondContact O-N 3.49Å; D181-V192 HydrophobicContact CB-CG1 3.69Å; D181-V192 HydrophobicContact CB-CG2 4.14Å; V192-V194 HydrophobicContact CG2-CG2 4.48Å; V192-L495 HydrophobicContact CB-CD1 4.39Å; V192-L495 HydrophobicContact CG1-CD1 3.98Å; V192-L495 HydrophobicContact CG2-CD1 4.47Å; V192-N499 CarbonylContact C-O 3.32Å; V192-N499 WeakPolarHBondContact CA-O 3.48Å; V192-N499 HydrophobicContact CB-CB 4.43Å; V192-N499 WeakPolarHBondContact CB-O 3.46Å; V192-N499 HydrophobicContact CG1-CB 4.02Å
193	S	98.4	Very high	91.7	Very high	18 Å²	18	43.1 Å²	43.1	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.2	172.8	58.9	0	0	0	0	111.2	W195 N499 Y501	S193-W195 PolarHBondContact OG-NE1 2.95Å; S193-N499 PolarHBondContact N-O 2.76Å; S193-N499 PolarHBondContact OG-O 2.88Å; S193-Y501 PolarHBondContact O-N 2.87Å
194	V	98.7	Very high	92.1	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	102.8	-170.7	-174.2	0	0	0	0	112.6	P177 A179 V192 Y501 H525	P177-V194 WeakPolarHBondContact O-CB 3.07Å; P177-V194 PolarHBondContact O-N 2.78Å; A179-V194 HydrophobicContact CB-CG2 3.49Å; A179-V194 VanDerWaalsContact CB-CG2 3.49Å; V192-V194 HydrophobicContact CG2-CG2 4.48Å; V194-Y501 HydrophobicContact CG1-CD1 3.85Å; V194-Y501 HydrophobicContact CG1-CE1 4.4Å; V194-Y501 HydrophobicContact CG2-CD1 4.17Å; V194-H525 PolarHBondContact O-NE2 2.72Å
195	W	98.8	Very high	92.9	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	25%	0.254	C	S	.	.	S	Bend	trans	-99.3	-8.9	-171.6	-66.4	86.7	0	0	0	114.9	S193 M458 Y501 I502 L519 A520 H525 M529 M530 F533	S193-W195 PolarHBondContact OG-NE1 2.95Å; W195-M458 HydrophobicContact CE3-CE 3.94Å; W195-M458 HydrophobicContact CH2-CE 4.3Å; W195-M458 HydrophobicContact CZ3-CE 3.62Å; W195-M458 HydrophobicContact CZ3-SD 4.19Å; W195-Y501 PolarHBondContact N-O 2.79Å; W195-I502 HydrophobicContact CB-CB 4.43Å; W195-L519 HydrophobicContact CB-CD2 3.72Å; W195-L519 HydrophobicContact CD2-CD2 4.43Å; W195-L519 HydrophobicContact CE3-CD2 4.04Å; W195-L519 HydrophobicContact CG-CD2 4.37Å; W195-A520 PolarHBondContact O-N 2.99Å; W195-H525 AromaticContact CD2-CD2 3.6Å; W195-H525 AromaticContact CD2-NE2 3.63Å; W195-H525 AromaticContact CE2-CD2 3.64Å; W195-H525 AromaticContact CE2-NE2 3.95Å; W195-H525 AromaticContact CE3-CD2 3.43Å; W195-H525 VanDerWaalsContact CE3-CD2 3.43Å; W195-H525 AromaticContact CE3-NE2 3.7Å; W195-H525 HydrophobicContact CH2-CB 4.14Å; W195-H525 AromaticContact CH2-CD2 3.4Å; W195-H525 WeakPolarHBondContact CH2-CD2 3.29Å; W195-H525 AromaticContact CZ2-CD2 3.56Å; W195-H525 HydrophobicContact CZ3-CB 4.08Å; W195-H525 AromaticContact CZ3-CD2 3.33Å; W195-H525 WeakPolarHBondContact CZ3-CD2 3.3Å; W195-H525 AromaticContact CZ3-CG 3.85Å; W195-M529 HydrophobicContact CH2-CB 4.1Å; W195-M529 WeakPolarHBondContact CH2-O 3.39Å; W195-M529 HydrophobicContact CZ2-CB 3.99Å; W195-M529 VanDerWaalsContact CZ2-O 3.23Å; W195-M529 WeakPolarHBondContact CZ2-O 3.37Å; W195-M530 HydrophobicContact CH2-CB 4.35Å; W195-M530 HydrophobicContact CH2-CG 3.72Å; W195-M530 HydrophobicContact CZ3-CG 3.85Å; W195-F533 HydrophobicContact CB-CD2 4.5Å; W195-F533 HydrophobicContact CB-CE2 4.2Å; W195-F533 AromaticContact CD1-CD2 3.7Å; W195-F533 HydrophobicContact CD2-CB 4.5Å; W195-F533 AromaticContact CD2-CD2 3.63Å; W195-F533 HydrophobicContact CD2-CD2 3.63Å; W195-F533 HydrophobicContact CD2-CE2 4.17Å; W195-F533 HydrophobicContact CD2-CG 4.15Å; W195-F533 AromaticContact CE2-CD2 3.58Å; W195-F533 HydrophobicContact CE3-CD2 4.29Å; W195-F533 HydrophobicContact CE3-CG 4.44Å; W195-F533 AromaticContact CG-CD2 3.71Å; W195-F533 HydrophobicContact CG-CD2 3.71Å; W195-F533 AromaticContact CG-CE2 3.88Å; W195-F533 HydrophobicContact CG-CE2 3.88Å; W195-F533 HydrophobicContact CH2-CB 3.93Å; W195-F533 HydrophobicContact CH2-CG 4.44Å; W195-F533 HydrophobicContact CZ2-CB 3.6Å; W195-F533 HydrophobicContact CZ2-CD2 4.19Å; W195-F533 HydrophobicContact CZ2-CG 4.15Å; W195-F533 AromaticContact NE1-CD2 3.62Å
196	C	98.4	Very high	94	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.149	22%	0.219	C	C	.	.	S	Bend	trans	-111.5	15.8	179.9	62.2	0	0	0	0	113.8	I502 Q503	C196-I502 HydrophobicContact CB-CG1 4.49Å; C196-Q503 HydrophobicContact CB-CB 4.22Å; C196-Q503 PolarHBondContact SG-N 3.14Å; C196-Q503 VanDerWaalsContact SG-N 3.4Å
197	S	98.5	Very high	95.1	Very high	19 Å²	19	39.5 Å²	39.5	13%	0.133	20%	0.201	C	C	.	.			trans	-69.7	142.4	175.4	-179.1	0	0	0	0	111.4	D199 A520	S197-D199 PolarHBondContact OG-N 3.06Å; S197-D199 VanDerWaalsContact OG-N 3.15Å; S197-A520 VanDerWaalsContact O-CB 3.29Å; S197-A520 WeakPolarHBondContact O-CB 3.35Å
198	N	98.6	Very high	96.3	Very high	52 Å²	52	39 Å²	39	28%	0.278	20%	0.202	S	C	.	.	S	Bend	trans	-95.5	5.1	171	-61.3	-45.5	0	0	0	113.5	Y200 K392 R518	N198-Y200 HydrophobicContact CB-CE1 4.18Å; N198-Y200 HydrophobicContact CB-CE2 4.16Å; N198-Y200 WeakPolarHBondContact O-CD2 3.42Å; N198-Y200 WeakPolarHBondContact O-CE2 3.41Å; N198-Y200 PolarHBondContact O-N 3.27Å; N198-Y200 PolarHBondContact OD1-OH 3.47Å; N198-K392 HydrophobicContact CB-CB 4.39Å; N198-K392 HydrophobicContact CB-CD 4.21Å; N198-K392 HydrophobicContact CB-CG 3.86Å; N198-K392 CarbonylContact O-C 3.48Å; N198-K392 WeakPolarHBondContact O-CA 3.16Å; N198-K392 WeakPolarHBondContact O-CB 3.13Å; N198-R518 PolarHBondContact OD1-NH1 3.48Å
199	D	98.7	Very high	97.2	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.043	16%	0.162	C	C	.	.			trans	-78.1	68.1	163.5	-178.9	17.7	0	0	0	109.6	R171 F176 S197 L201 G202 M203 S204	R171-D199 IonicContact CZ-OD2 2.72Å; R171-D199 IonicContact NH1-OD2 2.63Å; R171-D199 IonicContact NH2-OD2 3.49Å; R171-D199 PolarHBondContact NH2-OD2 2.93Å; F176-D199 WeakPolarHBondContact CZ-O 3.48Å; S197-D199 PolarHBondContact OG-N 3.06Å; S197-D199 VanDerWaalsContact OG-N 3.15Å; D199-L201 PolarHBondContact O-N 3.25Å; D199-L201 VanDerWaalsContact O-N 3.12Å; D199-G202 PolarHBondContact O-N 2.9Å; D199-G202 VanDerWaalsContact O-N 3.16Å; D199-G202 WeakPolarHBondContact OD1-CA 3.46Å; D199-G202 PolarHBondContact OD1-N 3.34Å; D199-G202 WeakPolarHBondContact OD2-CA 3.15Å; D199-M203 PolarHBondContact OD1-N 3.46Å; D199-M203 PolarHBondContact OD2-N 3.17Å; D199-S204 PolarHBondContact OD1-N 2.91Å; D199-S204 VanDerWaalsContact OD2-CB 3.23Å; D199-S204 WeakPolarHBondContact OD2-CB 3.48Å; D199-S204 PolarHBondContact OD2-N 3.49Å; D199-S204 PolarHBondContact OD2-OG 3.14Å; D199-S204 VanDerWaalsContact OD2-OG 3.05Å
200	Y	98.8	Very high	98	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.6	-165.6	-57.9	-63.8	0	0	0	114.8	N198 H361 L365 K392 A393 H475 R518 A520 S522 P523	N198-Y200 HydrophobicContact CB-CE1 4.18Å; N198-Y200 HydrophobicContact CB-CE2 4.16Å; N198-Y200 WeakPolarHBondContact O-CD2 3.42Å; N198-Y200 WeakPolarHBondContact O-CE2 3.41Å; N198-Y200 PolarHBondContact O-N 3.27Å; N198-Y200 PolarHBondContact OD1-OH 3.47Å; Y200-H361 AromaticContact CZ-ND1 3.92Å; Y200-H361 PolarHBondContact OH-CE1 3.37Å; Y200-H361 PolarHBondContact OH-ND1 2.98Å; Y200-L365 HydrophobicContact CD2-CD1 3.63Å; Y200-L365 HydrophobicContact CD2-CD2 4.35Å; Y200-L365 HydrophobicContact CD2-CG 4.47Å; Y200-L365 HydrophobicContact CE2-CD1 4.07Å; Y200-L365 HydrophobicContact CG-CD1 4.17Å; Y200-K392 HydrophobicContact CD2-CB 4.3Å; Y200-K392 HydrophobicContact CE2-CB 3.93Å; Y200-K392 HydrophobicContact CE2-CD 4.38Å; Y200-A393 HydrophobicContact CD2-CB 4.45Å; Y200-H475 AromaticContact CD1-CD2 3.72Å; Y200-H475 AromaticContact CD1-NE2 3.81Å; Y200-H475 AromaticContact CE1-CD2 3.68Å; Y200-H475 AromaticContact CE1-NE2 3.4Å; Y200-H475 WeakPolarHBondContact CE1-NE2 3.44Å; Y200-H475 AromaticContact CE2-NE2 3.63Å; Y200-H475 AromaticContact CZ-NE2 3.28Å; Y200-H475 VanDerWaalsContact CZ-NE2 3.28Å; Y200-R518 PolarHBondContact OH-NH2 3.19Å; Y200-R518 VanDerWaalsContact OH-NH2 3.1Å; Y200-A520 HydrophobicContact CD1-CB 3.99Å; Y200-A520 HydrophobicContact CE1-CB 3.77Å; Y200-S522 WeakPolarHBondContact O-CA 3.44Å; Y200-S522 WeakPolarHBondContact O-CB 3.38Å; Y200-P523 WeakPolarHBondContact O-CD 3.24Å
201	L	98.8	Very high	98.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-0.4	-177.8	-57.5	-176.5	0	0	0	113.1	D199 M203 L365 L439 L447 H451 P523 H524	D199-L201 PolarHBondContact O-N 3.25Å; D199-L201 VanDerWaalsContact O-N 3.12Å; L201-M203 HydrophobicContact CB-CG 4.09Å; L201-L365 HydrophobicContact CD1-CD2 3.93Å; L201-L365 HydrophobicContact CD2-CD2 3.95Å; L201-L365 HydrophobicContact CG-CD2 3.76Å; L201-L439 HydrophobicContact CD1-CD1 3.77Å; L201-L439 HydrophobicContact CD1-CD2 3.57Å; L201-L439 HydrophobicContact CD1-CG 4.36Å; L201-L447 HydrophobicContact CD1-CB 4.26Å; L201-L447 HydrophobicContact CD2-CB 4.33Å; L201-H451 HydrophobicContact CD2-CB 3.8Å; L201-P523 HydrophobicContact CD2-CG 3.82Å; L201-H524 PolarHBondContact O-CD2 2.89Å; L201-H524 PolarHBondContact O-NE2 3.44Å
202	G	98.4	Very high	98.6	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.021	14%	0.137	C	C	.	.			trans	72	28.5	-175.5	0	0	0	0	0	113.5	D199 S204 Q205	D199-G202 PolarHBondContact O-N 2.9Å; D199-G202 VanDerWaalsContact O-N 3.16Å; D199-G202 WeakPolarHBondContact OD1-CA 3.46Å; D199-G202 PolarHBondContact OD1-N 3.34Å; D199-G202 WeakPolarHBondContact OD2-CA 3.15Å; G202-S204 VanDerWaalsContact C-N 3.3Å; G202-S204 PolarHBondContact O-N 3.3Å; G202-Q205 WeakPolarHBondContact O-CG 3.41Å; G202-Q205 PolarHBondContact O-N 2.86Å
203	M	98.8	Very high	98.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-73	-21.5	-176.2	-68.9	-54.9	-67.7	0	0	112.8	D199 L201 Q205 H206 V209 A393 S435 V438 L439 L447	D199-M203 PolarHBondContact OD1-N 3.46Å; D199-M203 PolarHBondContact OD2-N 3.17Å; L201-M203 HydrophobicContact CB-CG 4.09Å; M203-Q205 PolarHBondContact O-N 3.01Å; M203-H206 HydrophobicContact CE-CB 3.85Å; M203-H206 WeakPolarHBondContact O-CB 3.05Å; M203-H206 PolarHBondContact O-N 3.35Å; M203-H206 VanDerWaalsContact O-N 3.09Å; M203-H206 HydrophobicContact SD-CB 4.03Å; M203-V209 HydrophobicContact CE-CG2 3.91Å; M203-A393 WeakPolarHBondContact CB-O 3.15Å; M203-A393 WeakPolarHBondContact CG-O 3.34Å; M203-S435 VanDerWaalsContact CE-OG 3.29Å; M203-S435 WeakPolarHBondContact CE-OG 3.4Å; M203-V438 HydrophobicContact CE-CB 3.87Å; M203-V438 HydrophobicContact CE-CG1 3.67Å; M203-V438 HydrophobicContact SD-CG1 4.43Å; M203-L439 HydrophobicContact CE-CD2 4.37Å; M203-L439 HydrophobicContact CE-CG 4.41Å; M203-L439 HydrophobicContact CG-CD1 4.25Å; M203-L439 HydrophobicContact CG-CD2 4.21Å; M203-L439 HydrophobicContact CG-CG 4.38Å; M203-L439 HydrophobicContact SD-CD2 3.93Å; M203-L439 HydrophobicContact SD-CG 4.46Å; M203-L447 HydrophobicContact SD-CD1 4.14Å
204	S	98.6	Very high	98.7	Very high	37 Å²	37	32.5 Å²	32.5	26%	0.259	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-69.9	-1.3	178.2	94.2	0	0	0	0	114	R171 D199 G202 G395	R171-S204 PolarHBondContact NH1-OG 2.67Å; R171-S204 PolarHBondContact NH2-OG 2.94Å; D199-S204 PolarHBondContact OD1-N 2.91Å; D199-S204 VanDerWaalsContact OD2-CB 3.23Å; D199-S204 WeakPolarHBondContact OD2-CB 3.48Å; D199-S204 PolarHBondContact OD2-N 3.49Å; D199-S204 PolarHBondContact OD2-OG 3.14Å; D199-S204 VanDerWaalsContact OD2-OG 3.05Å; G202-S204 VanDerWaalsContact C-N 3.3Å; G202-S204 PolarHBondContact O-N 3.3Å; S204-G395 VanDerWaalsContact CA-O 3.3Å; S204-G395 WeakPolarHBondContact CA-O 3.22Å; S204-G395 WeakPolarHBondContact CB-O 3.31Å
205	Q	98.1	Very high	98.7	Very high	32 Å²	32	36.7 Å²	36.7	15%	0.15	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-128.1	6.3	173.8	62.4	150.1	26.3	0	0	112.9	A173 F176 G202 M203 Q207 L210	A173-Q205 HydrophobicContact CB-CB 3.77Å; A173-Q205 PolarHBondContact O-OE1 2.73Å; F176-Q205 HydrophobicContact CB-CG 4.23Å; G202-Q205 WeakPolarHBondContact O-CG 3.41Å; G202-Q205 PolarHBondContact O-N 2.86Å; M203-Q205 PolarHBondContact O-N 3.01Å; Q205-Q207 PolarHBondContact O-N 3.11Å; Q205-Q207 PolarHBondContact O-NE2 2.71Å; Q205-Q207 VanDerWaalsContact O-NE2 3.17Å; Q205-L210 WeakPolarHBondContact O-CD1 3.36Å
206	H	98.8	Very high	98.7	Very high	35 Å²	35	36.9 Å²	36.9	16%	0.162	19%	0.188	C	C	.	.			trans	-67.3	131.2	-174.2	-172.5	-90	0	0	0	110.6	M203 K208 V209 L210 E443	M203-H206 HydrophobicContact CE-CB 3.85Å; M203-H206 WeakPolarHBondContact O-CB 3.05Å; M203-H206 PolarHBondContact O-N 3.35Å; M203-H206 VanDerWaalsContact O-N 3.09Å; M203-H206 HydrophobicContact SD-CB 4.03Å; H206-K208 VanDerWaalsContact C-N 3.3Å; H206-K208 PolarHBondContact ND1-N 3.39Å; H206-K208 PolarHBondContact O-N 3.34Å; H206-V209 HydrophobicContact CB-CB 4.18Å; H206-V209 HydrophobicContact CB-CG2 3.97Å; H206-V209 WeakPolarHBondContact O-CA 3.42Å; H206-V209 WeakPolarHBondContact O-CB 3.39Å; H206-V209 PolarHBondContact O-N 3Å; H206-L210 PolarHBondContact O-N 3.2Å; H206-E443 IonicContact CE1-OE1 2.7Å; H206-E443 IonicContact NE2-OE1 3.32Å; H206-E443 PolarHBondContact NE2-OE1 3.49Å
207	Q	98.4	Very high	98.7	Very high	119 Å²	119	39.5 Å²	39.5	56%	0.556	20%	0.201	S	C	*	.	H	α-helix	trans	-63.8	-31.9	-166.1	-64.4	-58.1	-56.9	0	0	113.9	Q205 G211	Q205-Q207 PolarHBondContact O-N 3.11Å; Q205-Q207 PolarHBondContact O-NE2 2.71Å; Q205-Q207 VanDerWaalsContact O-NE2 3.17Å; Q207-G211 PolarHBondContact O-N 3.22Å
208	K	98.7	Very high	98.7	Very high	97 Å²	97	45.9 Å²	45.9	42%	0.422	23%	0.229	S	C	.	.	H	α-helix	trans	-67.1	-40	172.2	-57.3	177	-168.6	161.6	0	112.2	H206 G211 A212 E434 V438 E443	H206-K208 VanDerWaalsContact C-N 3.3Å; H206-K208 PolarHBondContact ND1-N 3.39Å; H206-K208 PolarHBondContact O-N 3.34Å; K208-G211 PolarHBondContact O-N 2.99Å; K208-A212 PolarHBondContact O-N 3.08Å; K208-E434 HydrophobicContact CB-CG 3.78Å; K208-V438 HydrophobicContact CB-CG2 4.4Å; K208-V438 HydrophobicContact CD-CG2 3.71Å; K208-E443 IonicContact NZ-OE1 3.47Å; K208-E443 IonicContact NZ-OE2 2.67Å; K208-E443 PolarHBondContact NZ-OE2 3.43Å
209	V	98.8	Very high	98.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-46.7	178	175.1	0	0	0	0	110.3	M203 H206 G211 A212 I213	M203-V209 HydrophobicContact CE-CG2 3.91Å; H206-V209 HydrophobicContact CB-CB 4.18Å; H206-V209 HydrophobicContact CB-CG2 3.97Å; H206-V209 WeakPolarHBondContact O-CA 3.42Å; H206-V209 WeakPolarHBondContact O-CB 3.39Å; H206-V209 PolarHBondContact O-N 3Å; V209-G211 VanDerWaalsContact C-N 3.3Å; V209-G211 PolarHBondContact O-N 3.38Å; V209-A212 PolarHBondContact O-N 2.94Å; V209-I213 HydrophobicContact CG1-CD1 3.88Å; V209-I213 WeakPolarHBondContact O-CD1 3.42Å; V209-I213 VanDerWaalsContact O-CG1 3.25Å; V209-I213 WeakPolarHBondContact O-CG1 3.31Å; V209-I213 PolarHBondContact O-N 3.42Å
210	L	98.8	Very high	98.7	Very high	41 Å²	41	53.8 Å²	53.8	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-33.2	174.8	-64.5	-177.8	0	0	0	112.6	Q205 H206 R214	Q205-L210 WeakPolarHBondContact O-CD1 3.36Å; H206-L210 PolarHBondContact O-N 3.2Å; L210-R214 WeakPolarHBondContact O-CG 3.36Å; L210-R214 PolarHBondContact O-N 3.42Å; L210-R214 VanDerWaalsContact O-N 3.14Å
211	G	98.8	Very high	98.6	Very high	10 Å²	10	55.2 Å²	55.2	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-62.8	168.9	0	0	0	0	0	111.4	Q207 K208 V209 I213 R214 D215	Q207-G211 PolarHBondContact O-N 3.22Å; K208-G211 PolarHBondContact O-N 2.99Å; V209-G211 VanDerWaalsContact C-N 3.3Å; V209-G211 PolarHBondContact O-N 3.38Å; G211-I213 PolarHBondContact O-N 3.4Å; G211-I213 VanDerWaalsContact O-N 3.11Å; G211-R214 PolarHBondContact O-N 2.8Å; G211-D215 PolarHBondContact O-N 2.79Å
212	A	98.8	Very high	98.6	Very high	22 Å²	22	57.8 Å²	57.8	18%	0.182	30%	0.303	C	S	.	.	H	α-helix	trans	-55.5	-33.4	-179	0	0	0	0	0	113.8	K208 V209 A216 A430 E434	K208-A212 PolarHBondContact O-N 3.08Å; V209-A212 PolarHBondContact O-N 2.94Å; A212-A216 VanDerWaalsContact O-CB 3.27Å; A212-A216 WeakPolarHBondContact O-CB 3.23Å; A212-A216 PolarHBondContact O-N 2.83Å; A212-A430 HydrophobicContact CB-CB 4.3Å; A212-A430 VanDerWaalsContact O-CB 3.31Å; A212-A430 WeakPolarHBondContact O-CB 3.28Å; A212-E434 HydrophobicContact CB-CB 3.99Å; A212-E434 HydrophobicContact CB-CG 4.48Å
213	I	98.8	Very high	98.5	Very high	48 Å²	48	60.2 Å²	60.2	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-47.9	173.4	-68.7	164.9	0	0	0	111.5	V209 G211 L217 M427	V209-I213 HydrophobicContact CG1-CD1 3.88Å; V209-I213 WeakPolarHBondContact O-CD1 3.42Å; V209-I213 VanDerWaalsContact O-CG1 3.25Å; V209-I213 WeakPolarHBondContact O-CG1 3.31Å; V209-I213 PolarHBondContact O-N 3.42Å; G211-I213 PolarHBondContact O-N 3.4Å; G211-I213 VanDerWaalsContact O-N 3.11Å; I213-L217 VanDerWaalsContact O-CB 3.24Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 PolarHBondContact O-N 2.61Å; I213-M427 WeakPolarHBondContact CG1-O 3.31Å; I213-M427 HydrophobicContact CG2-CB 4.43Å
214	R	98.8	Very high	98.5	Very high	127 Å²	127	60.9 Å²	60.9	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-50.9	178.1	-73.3	-178.4	-57.8	-132.2	-1.6	111.2	L210 G211 A216 L217 E218	L210-R214 WeakPolarHBondContact O-CG 3.36Å; L210-R214 PolarHBondContact O-N 3.42Å; L210-R214 VanDerWaalsContact O-N 3.14Å; G211-R214 PolarHBondContact O-N 2.8Å; R214-A216 VanDerWaalsContact C-N 3.26Å; R214-A216 PolarHBondContact O-N 3.32Å; R214-L217 PolarHBondContact O-N 2.87Å; R214-E218 WeakPolarHBondContact O-CG 3.49Å; R214-E218 PolarHBondContact O-N 3.24Å
215	D	98.8	Very high	98.5	Very high	95 Å²	95	62.6 Å²	62.6	51%	0.508	36%	0.358	S	S	.	.	H	α-helix	trans	-57.2	-42.8	-176.7	-55.4	-11.9	0	0	0	110.8	G211 N219	G211-D215 PolarHBondContact O-N 2.79Å; D215-N219 WeakPolarHBondContact O-CB 3.45Å; D215-N219 PolarHBondContact O-N 3.08Å; D215-N219 VanDerWaalsContact O-N 3.16Å; D215-N219 PolarHBondContact O-ND2 3.17Å
216	A	98.7	Very high	98.5	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.033	36%	0.357	C	S	.	.	H	α-helix	trans	-75.4	-31.9	177.2	0	0	0	0	0	113.8	A212 R214 H220 F236 M427 A430	A212-A216 VanDerWaalsContact O-CB 3.27Å; A212-A216 WeakPolarHBondContact O-CB 3.23Å; A212-A216 PolarHBondContact O-N 2.83Å; R214-A216 VanDerWaalsContact C-N 3.26Å; R214-A216 PolarHBondContact O-N 3.32Å; A216-H220 WeakPolarHBondContact O-CA 3.47Å; A216-H220 VanDerWaalsContact O-CB 3.29Å; A216-H220 WeakPolarHBondContact O-CB 3.47Å; A216-H220 PolarHBondContact O-N 3.05Å; A216-F236 HydrophobicContact CB-CE1 4.23Å; A216-F236 HydrophobicContact CB-CZ 4.17Å; A216-M427 HydrophobicContact CB-CB 4.23Å; A216-A430 HydrophobicContact CB-CB 3.53Å
217	L	98.7	Very high	98.5	Very high	77 Å²	77	61.6 Å²	61.6	40%	0.403	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-44.4	173	169.4	60	0	0	0	111.3	I213 R214 G221 A222 M427	I213-L217 VanDerWaalsContact O-CB 3.24Å; I213-L217 WeakPolarHBondContact O-CB 3.47Å; I213-L217 PolarHBondContact O-N 2.61Å; R214-L217 PolarHBondContact O-N 2.87Å; L217-G221 VanDerWaalsContact O-CA 3.25Å; L217-G221 WeakPolarHBondContact O-CA 3.33Å; L217-G221 PolarHBondContact O-N 2.92Å; L217-A222 HydrophobicContact CD1-CB 4.24Å; L217-M427 HydrophobicContact CB-CB 4.17Å; L217-M427 HydrophobicContact CB-SD 4.02Å; L217-M427 HydrophobicContact CD1-SD 3.84Å; L217-M427 HydrophobicContact CD2-SD 4.38Å; L217-M427 HydrophobicContact CG-SD 4.29Å
218	E	98.6	Very high	98.5	Very high	154 Å²	154	57.6 Å²	57.6	72%	0.72	34%	0.339	S	S	*	.	H	α-helix	trans	-67.3	-38.4	179.8	-71.2	174.1	-155.4	0	0	112	R214	R214-E218 WeakPolarHBondContact O-CG 3.49Å; R214-E218 PolarHBondContact O-N 3.24Å
219	N	98.4	Very high	98.5	Very high	119 Å²	119	60 Å²	60	64%	0.636	36%	0.356	S	S	*	.	H	α-helix	trans	-87.7	-22.9	-178.5	-74.2	-85.5	0	0	0	114.7	D215	D215-N219 WeakPolarHBondContact O-CB 3.45Å; D215-N219 PolarHBondContact O-N 3.08Å; D215-N219 VanDerWaalsContact O-N 3.16Å; D215-N219 PolarHBondContact O-ND2 3.17Å
220	H	98.3	Very high	98.4	Very high	107 Å²	107	65.2 Å²	65.2	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-135.8	-1.3	-170.4	-50	-48.6	0	0	0	115.2	A216 F236 P426	A216-H220 WeakPolarHBondContact O-CA 3.47Å; A216-H220 VanDerWaalsContact O-CB 3.29Å; A216-H220 WeakPolarHBondContact O-CB 3.47Å; A216-H220 PolarHBondContact O-N 3.05Å; H220-F236 AromaticContact CD2-CE2 3.31Å; H220-F236 WeakPolarHBondContact CD2-CE2 3.37Å; H220-F236 AromaticContact CD2-CZ 3.56Å; H220-F236 AromaticContact NE2-CE2 3.5Å; H220-F236 WeakPolarHBondContact NE2-CE2 3.23Å; H220-F236 AromaticContact NE2-CZ 3.61Å; H220-P426 HydrophobicContact CB-CB 4.43Å
221	G	98.3	Very high	98.4	Very high	31 Å²	31	68.2 Å²	68.2	32%	0.32	41%	0.407	S	S	.	.			trans	72.5	-173.7	179.6	0	0	0	0	0	114.4	L217	L217-G221 VanDerWaalsContact O-CA 3.25Å; L217-G221 WeakPolarHBondContact O-CA 3.33Å; L217-G221 PolarHBondContact O-N 2.92Å
222	A	97.6	Very high	98.4	Very high	54 Å²	54	67.8 Å²	67.8	45%	0.446	40%	0.403	S	S	.	.	S	Bend	trans	-85.6	-43.6	-170.6	0	0	0	0	0	114.4	L217 P425 M427	L217-A222 HydrophobicContact CD1-CB 4.24Å; A222-P425 VanDerWaalsContact O-CB 3.22Å; A222-P425 WeakPolarHBondContact O-CB 3.28Å; A222-M427 HydrophobicContact CB-CE 3.94Å
223	G	98	Very high	98.4	Very high	54 Å²	54	69.6 Å²	69.6	56%	0.557	41%	0.412	S	S	*	.			trans	-100.6	146.6	-173.1	0	0	0	0	0	113.4	G225	G223-G225 PolarHBondContact O-N 3.16Å
224	A	98.3	Very high	98.4	Very high	15 Å²	15	68.8 Å²	68.8	12%	0.124	41%	0.41	C	S	.	.			trans	-72.1	-7.7	173.3	0	0	0	0	0	114.2	G226 A423	A224-G226 PolarHBondContact O-N 3.21Å; A224-A423 HydrophobicContact CB-CB 3.91Å; A224-A423 WeakPolarHBondContact CB-O 3.49Å
225	G	98.1	Very high	98.3	Very high	73 Å²	73	68.9 Å²	68.9	75%	0.753	42%	0.42	S	S	*	.			trans	74.6	-15.7	174.3	0	0	0	0	0	116.7	G223	G223-G225 PolarHBondContact O-N 3.16Å
226	G	97.9	Very high	98.3	Very high	13 Å²	13	66.7 Å²	66.7	13%	0.134	41%	0.407	C	S	.	.	S	Bend	trans	-173.4	-169.5	179	0	0	0	0	0	114.5	A224 I230 A423	A224-G226 PolarHBondContact O-N 3.21Å; G226-I230 CarbonylContact C-O 3.53Å; G226-I230 WeakPolarHBondContact CA-O 3.32Å; G226-A423 PolarHBondContact O-N 3.43Å
227	T	98.6	Very high	98.4	Very high	32 Å²	32	66.6 Å²	66.6	20%	0.196	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-77.4	167.9	177.9	75.6	0	0	0	0	111.2	N229 I230 G232 T421	T227-N229 PolarHBondContact O-N 3.42Å; T227-I230 PolarHBondContact N-O 3.38Å; T227-I230 CarbonylContact O-C 3.35Å; T227-I230 PolarHBondContact O-N 3.36Å; T227-I230 PolarHBondContact OG1-N 3.35Å; T227-G232 VanDerWaalsContact O-CA 3.26Å; T227-G232 WeakPolarHBondContact O-CA 3.36Å; T227-G232 PolarHBondContact O-N 3.42Å; T227-T421 WeakPolarHBondContact CA-O 3.08Å; T227-T421 VanDerWaalsContact CB-O 3.32Å; T227-T421 WeakPolarHBondContact CB-O 3.48Å; T227-T421 WeakPolarHBondContact CG2-O 3.32Å
228	R	98.6	Very high	98.4	Very high	35 Å²	35	66.6 Å²	66.6	13%	0.132	41%	0.408	C	S	.	.	I	π-helix	trans	-53.1	-32.7	178.7	-71.2	-67.7	-58.5	-94.6	5.5	113.7	T233 E241 F418 A423	R228-T233 WeakPolarHBondContact CA-OG1 3.46Å; R228-T233 PolarHBondContact NE-OG1 3.13Å; R228-T233 WeakPolarHBondContact O-CB 3.19Å; R228-T233 PolarHBondContact O-OG1 3.23Å; R228-E241 IonicContact CZ-OE1 3.35Å; R228-E241 IonicContact CZ-OE2 2.65Å; R228-E241 IonicContact NH1-OE1 2.79Å; R228-E241 PolarHBondContact NH1-OE1 3.02Å; R228-E241 IonicContact NH1-OE2 2.61Å; R228-E241 IonicContact NH2-OE1 3Å; R228-E241 PolarHBondContact NH2-OE1 2.95Å; R228-E241 IonicContact NH2-OE2 2.68Å; R228-E241 PolarHBondContact NH2-OE2 3.49Å; R228-F418 HydrophobicContact CB-CE1 4.22Å; R228-F418 HydrophobicContact CB-CZ 4.05Å; R228-F418 HydrophobicContact CG-CE1 4.26Å; R228-F418 HydrophobicContact CG-CE2 4.02Å; R228-F418 HydrophobicContact CG-CZ 3.71Å; R228-A423 HydrophobicContact CG-CB 4.24Å
229	N	98.1	Very high	98.4	Very high	148 Å²	148	61.5 Å²	61.5	79%	0.791	39%	0.39	S	S	*	.	I	π-helix	trans	-88	-20.9	178.3	-168.3	76.4	0	0	0	113.9	T227	T227-N229 PolarHBondContact O-N 3.42Å
230	I	97.9	Very high	98.4	Very high	110 Å²	110	55.8 Å²	55.8	56%	0.564	36%	0.359	S	S	*	.	I	π-helix	trans	-119.5	90.4	-174.5	-53.5	176.2	0	0	0	107.8	G226 T227 G232	G226-I230 CarbonylContact C-O 3.53Å; G226-I230 WeakPolarHBondContact CA-O 3.32Å; T227-I230 PolarHBondContact N-O 3.38Å; T227-I230 CarbonylContact O-C 3.35Å; T227-I230 PolarHBondContact O-N 3.36Å; T227-I230 PolarHBondContact OG1-N 3.35Å; I230-G232 PolarHBondContact O-N 3.14Å
231	S	97.7	Very high	98.4	Very high	104 Å²	104	51.9 Å²	51.9	73%	0.727	34%	0.341	S	S	*	.	I	π-helix	trans	55.2	-11.8	-178.4	50.2	0	0	0	0	118.7	T233	S231-T233 PolarHBondContact O-N 3.34Å
232	G	98.5	Very high	98.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.01	35%	0.354	C	S	.	.	I	π-helix	trans	-76.3	-15.7	-174.8	0	0	0	0	0	116.7	T227 I230 S234 H237 A423	T227-G232 VanDerWaalsContact O-CA 3.26Å; T227-G232 WeakPolarHBondContact O-CA 3.36Å; T227-G232 PolarHBondContact O-N 3.42Å; I230-G232 PolarHBondContact O-N 3.14Å; G232-S234 PolarHBondContact O-N 3.11Å; G232-H237 PolarHBondContact O-CE1 3.14Å; G232-A423 WeakPolarHBondContact O-CB 3.47Å
233	T	98.9	Very high	98.5	Very high	60 Å²	60	55.3 Å²	55.3	37%	0.368	34%	0.337	S	S	.	.			trans	-81	103.9	175.3	-64.1	0	0	0	0	110.9	R228 S231 H237 V238	R228-T233 WeakPolarHBondContact CA-OG1 3.46Å; R228-T233 PolarHBondContact NE-OG1 3.13Å; R228-T233 WeakPolarHBondContact O-CB 3.19Å; R228-T233 PolarHBondContact O-OG1 3.23Å; S231-T233 PolarHBondContact O-N 3.34Å; T233-H237 HydrophobicContact CG2-CB 4.3Å; T233-V238 HydrophobicContact CG2-CG2 4.09Å
234	S	98.8	Very high	98.6	Very high	31 Å²	31	52.7 Å²	52.7	22%	0.217	31%	0.311	C	S	.	.			trans	-95.7	166.8	171.7	68.3	0	0	0	0	112.6	G232 F236 H237 V238	G232-S234 PolarHBondContact O-N 3.11Å; S234-F236 PolarHBondContact O-N 3.15Å; S234-F236 VanDerWaalsContact O-N 3.1Å; S234-H237 PolarHBondContact N-ND1 3.38Å; S234-H237 WeakPolarHBondContact O-CB 3.32Å; S234-H237 PolarHBondContact O-N 3.06Å; S234-H237 PolarHBondContact OG-ND1 2.97Å; S234-V238 PolarHBondContact O-N 3.48Å
235	N	98.6	Very high	98.6	Very high	130 Å²	130	52.4 Å²	52.4	70%	0.695	31%	0.308	S	S	*	.	H	α-helix	trans	-57.6	-25.4	175.6	-112.3	4.1	0	0	0	113.5	S239	N235-S239 VanDerWaalsContact O-CB 3.26Å; N235-S239 WeakPolarHBondContact O-CB 3.36Å; N235-S239 PolarHBondContact O-N 2.89Å; N235-S239 PolarHBondContact O-OG 2.79Å
236	F	98.8	Very high	98.6	Very high	49 Å²	49	54.1 Å²	54.1	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-35.3	174.7	-59.4	-89.2	0	0	0	112.2	A216 H220 S234 M240 P426 L429 A430	A216-F236 HydrophobicContact CB-CE1 4.23Å; A216-F236 HydrophobicContact CB-CZ 4.17Å; H220-F236 AromaticContact CD2-CE2 3.31Å; H220-F236 WeakPolarHBondContact CD2-CE2 3.37Å; H220-F236 AromaticContact CD2-CZ 3.56Å; H220-F236 AromaticContact NE2-CE2 3.5Å; H220-F236 WeakPolarHBondContact NE2-CE2 3.23Å; H220-F236 AromaticContact NE2-CZ 3.61Å; S234-F236 PolarHBondContact O-N 3.15Å; S234-F236 VanDerWaalsContact O-N 3.1Å; F236-M240 WeakPolarHBondContact O-CB 3.47Å; F236-M240 PolarHBondContact O-N 3.3Å; F236-P426 HydrophobicContact CD2-CB 3.91Å; F236-P426 HydrophobicContact CE2-CB 4.38Å; F236-P426 HydrophobicContact CG-CB 4.47Å; F236-L429 HydrophobicContact CB-CB 3.89Å; F236-A430 HydrophobicContact CD1-CB 3.68Å; F236-A430 HydrophobicContact CE1-CB 3.68Å
237	H	98.9	Very high	98.7	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-53.3	173.3	-69.4	79.7	0	0	0	110.8	G232 T233 S234 S239 M240 E241 L424 L429	G232-H237 PolarHBondContact O-CE1 3.14Å; T233-H237 HydrophobicContact CG2-CB 4.3Å; S234-H237 PolarHBondContact N-ND1 3.38Å; S234-H237 WeakPolarHBondContact O-CB 3.32Å; S234-H237 PolarHBondContact O-N 3.06Å; S234-H237 PolarHBondContact OG-ND1 2.97Å; H237-S239 VanDerWaalsContact C-N 3.3Å; H237-S239 PolarHBondContact O-N 3.27Å; H237-M240 PolarHBondContact O-N 2.64Å; H237-E241 WeakPolarHBondContact O-CB 3.37Å; H237-E241 WeakPolarHBondContact O-CG 3.46Å; H237-E241 PolarHBondContact O-N 3.35Å; H237-L424 PolarHBondContact CE1-O 3.43Å; H237-L424 PolarHBondContact NE2-N 3.43Å; H237-L424 PolarHBondContact NE2-O 3.08Å; H237-L429 HydrophobicContact CB-CD1 4.28Å; H237-L429 VanDerWaalsContact CD2-CD1 3.46Å; H237-L429 WeakPolarHBondContact CD2-CD1 3.47Å; H237-L429 VanDerWaalsContact CE1-CD1 3.48Å; H237-L429 WeakPolarHBondContact CE1-CD1 3.3Å; H237-L429 VanDerWaalsContact CG-CD1 3.5Å; H237-L429 WeakPolarHBondContact NE2-CD1 3.13Å
238	V	98.9	Very high	98.7	Very high	76 Å²	76	52.6 Å²	52.6	46%	0.461	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-39.6	-179.1	-176.6	0	0	0	0	111.4	T233 S234 K242	T233-V238 HydrophobicContact CG2-CG2 4.09Å; S234-V238 PolarHBondContact O-N 3.48Å; V238-K242 WeakPolarHBondContact O-CB 3.38Å; V238-K242 PolarHBondContact O-N 3.05Å
239	S	98.9	Very high	98.7	Very high	47 Å²	47	57.4 Å²	57.4	33%	0.329	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-41.7	176.9	-58.4	0	0	0	0	112.1	N235 H237 K242 E243	N235-S239 VanDerWaalsContact O-CB 3.26Å; N235-S239 WeakPolarHBondContact O-CB 3.36Å; N235-S239 PolarHBondContact O-N 2.89Å; N235-S239 PolarHBondContact O-OG 2.79Å; H237-S239 VanDerWaalsContact C-N 3.3Å; H237-S239 PolarHBondContact O-N 3.27Å; S239-K242 PolarHBondContact O-N 3.41Å; S239-E243 WeakPolarHBondContact O-CB 3.47Å; S239-E243 PolarHBondContact O-N 3.43Å
240	M	98.8	Very high	98.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-47.4	177	-166.2	72.7	-158.1	0	0	111.5	F236 H237 K242 E243 L244 V255 L390 L429 A432 L433 V436	F236-M240 WeakPolarHBondContact O-CB 3.47Å; F236-M240 PolarHBondContact O-N 3.3Å; H237-M240 PolarHBondContact O-N 2.64Å; M240-K242 VanDerWaalsContact C-N 3.29Å; M240-K242 PolarHBondContact O-N 3Å; M240-E243 PolarHBondContact O-N 3.08Å; M240-L244 HydrophobicContact CE-CD1 3.96Å; M240-L244 HydrophobicContact CE-CD2 3.91Å; M240-L244 HydrophobicContact CE-CG 3.89Å; M240-L244 HydrophobicContact CG-CD1 3.91Å; M240-L244 HydrophobicContact CG-CG 4.4Å; M240-L244 WeakPolarHBondContact O-CB 3.43Å; M240-L244 WeakPolarHBondContact O-CG 3.37Å; M240-L244 PolarHBondContact O-N 3.45Å; M240-V255 HydrophobicContact CB-CG2 4.5Å; M240-V255 HydrophobicContact CG-CG2 4.11Å; M240-L390 HydrophobicContact CE-CD1 4.09Å; M240-L390 HydrophobicContact CE-CD2 3.54Å; M240-L390 HydrophobicContact CE-CG 4.47Å; M240-L429 HydrophobicContact CG-CD2 4.4Å; M240-A432 HydrophobicContact CE-CB 3.97Å; M240-A432 HydrophobicContact SD-CB 4.07Å; M240-L433 VanDerWaalsContact SD-CA 3.52Å; M240-L433 HydrophobicContact SD-CB 3.77Å; M240-L433 HydrophobicContact SD-CD1 4.23Å; M240-L433 PolarHBondContact SD-N 2.73Å; M240-L433 VanDerWaalsContact SD-N 3.43Å; M240-V436 HydrophobicContact CE-CG2 3.64Å
241	E	98.9	Very high	98.8	Very high	24 Å²	24	52.5 Å²	52.5	11%	0.112	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-39.2	178.3	-73.7	172.2	154.8	0	0	111.3	R228 H237 A245 A253 V255	R228-E241 IonicContact CZ-OE1 3.35Å; R228-E241 IonicContact CZ-OE2 2.65Å; R228-E241 IonicContact NH1-OE1 2.79Å; R228-E241 PolarHBondContact NH1-OE1 3.02Å; R228-E241 IonicContact NH1-OE2 2.61Å; R228-E241 IonicContact NH2-OE1 3Å; R228-E241 PolarHBondContact NH2-OE1 2.95Å; R228-E241 IonicContact NH2-OE2 2.68Å; R228-E241 PolarHBondContact NH2-OE2 3.49Å; H237-E241 WeakPolarHBondContact O-CB 3.37Å; H237-E241 WeakPolarHBondContact O-CG 3.46Å; H237-E241 PolarHBondContact O-N 3.35Å; E241-A245 WeakPolarHBondContact O-CB 3.37Å; E241-A245 PolarHBondContact O-N 3.33Å; E241-A253 WeakPolarHBondContact O-CB 3.46Å; E241-V255 HydrophobicContact CG-CB 4.14Å; E241-V255 HydrophobicContact CG-CG2 3.67Å; E241-V255 PolarHBondContact OE1-N 3.5Å
242	K	98.9	Very high	98.8	Very high	135 Å²	135	48.6 Å²	48.6	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-67	-44.6	173.1	-174.2	177	179.7	179.9	0	113.3	V238 S239 M240 L244 A245 Q246	V238-K242 WeakPolarHBondContact O-CB 3.38Å; V238-K242 PolarHBondContact O-N 3.05Å; S239-K242 PolarHBondContact O-N 3.41Å; M240-K242 VanDerWaalsContact C-N 3.29Å; M240-K242 PolarHBondContact O-N 3Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 2.86Å; K242-A245 PolarHBondContact O-N 3.03Å; K242-Q246 WeakPolarHBondContact O-CB 3.19Å; K242-Q246 VanDerWaalsContact O-CG 3.31Å; K242-Q246 WeakPolarHBondContact O-CG 3.46Å; K242-Q246 PolarHBondContact O-N 3.44Å
243	E	98.9	Very high	98.8	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-36.8	-179.8	-169.1	84.3	-126.5	0	0	111.5	S239 M240 L247 L433 V436 R437 K440	S239-E243 WeakPolarHBondContact O-CB 3.47Å; S239-E243 PolarHBondContact O-N 3.43Å; M240-E243 PolarHBondContact O-N 3.08Å; E243-L247 WeakPolarHBondContact O-CB 3.38Å; E243-L247 PolarHBondContact O-N 3.46Å; E243-L433 HydrophobicContact CB-CD1 3.54Å; E243-L433 HydrophobicContact CG-CD1 3.66Å; E243-V436 HydrophobicContact CG-CB 4.46Å; E243-V436 HydrophobicContact CG-CG1 3.7Å; E243-R437 IonicContact OE2-CZ 3.89Å; E243-R437 IonicContact OE2-NE 3.15Å; E243-R437 PolarHBondContact OE2-NE 3.43Å; E243-R437 IonicContact OE2-NH2 2.88Å; E243-R437 PolarHBondContact OE2-NH2 3.19Å; E243-K440 IonicContact OE1-NZ 3.02Å; E243-K440 PolarHBondContact OE1-NZ 2.87Å
244	L	98.9	Very high	98.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71	-42.8	175.9	-69.9	170.4	0	0	0	112.5	M240 K242 Q246 L247 H248 A253 V255 L390 Y400 V436	M240-L244 HydrophobicContact CE-CD1 3.96Å; M240-L244 HydrophobicContact CE-CD2 3.91Å; M240-L244 HydrophobicContact CE-CG 3.89Å; M240-L244 HydrophobicContact CG-CD1 3.91Å; M240-L244 HydrophobicContact CG-CG 4.4Å; M240-L244 WeakPolarHBondContact O-CB 3.43Å; M240-L244 WeakPolarHBondContact O-CG 3.37Å; M240-L244 PolarHBondContact O-N 3.45Å; K242-L244 VanDerWaalsContact C-N 3.31Å; K242-L244 PolarHBondContact O-N 2.86Å; L244-Q246 VanDerWaalsContact C-N 3.29Å; L244-Q246 PolarHBondContact O-N 3.27Å; L244-L247 HydrophobicContact CD2-CD2 4.44Å; L244-L247 PolarHBondContact O-N 3.28Å; L244-H248 PolarHBondContact O-CD2 3.08Å; L244-H248 PolarHBondContact O-N 3.01Å; L244-A253 HydrophobicContact CB-CB 3.79Å; L244-V255 HydrophobicContact CD1-CG2 3.8Å; L244-L390 HydrophobicContact CD2-CD2 4.41Å; L244-Y400 HydrophobicContact CD1-CD1 3.72Å; L244-Y400 HydrophobicContact CD1-CD2 4.18Å; L244-Y400 HydrophobicContact CD1-CE1 4.26Å; L244-Y400 HydrophobicContact CD1-CG 3.67Å; L244-Y400 HydrophobicContact CD2-CD1 3.96Å; L244-Y400 HydrophobicContact CD2-CD2 4.37Å; L244-Y400 HydrophobicContact CD2-CE1 3.6Å; L244-Y400 HydrophobicContact CD2-CE2 4.05Å; L244-Y400 HydrophobicContact CD2-CG 4.32Å; L244-Y400 HydrophobicContact CG-CD1 4.47Å; L244-Y400 HydrophobicContact CG-CG 4.5Å; L244-V436 HydrophobicContact CD2-CG2 4.41Å
245	A	98.9	Very high	98.8	Very high	8 Å²	8	45 Å²	45	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-43.7	172.9	0	0	0	0	0	111.1	E241 K242 H248 K249 K250 A253	E241-A245 WeakPolarHBondContact O-CB 3.37Å; E241-A245 PolarHBondContact O-N 3.33Å; K242-A245 PolarHBondContact O-N 3.03Å; A245-H248 PolarHBondContact O-N 3.45Å; A245-K249 PolarHBondContact O-N 2.98Å; A245-K250 PolarHBondContact O-N 2.74Å; A245-A253 HydrophobicContact CB-CB 4.19Å
246	Q	98.8	Very high	98.9	Very high	110 Å²	110	39 Å²	39	51%	0.514	20%	0.198	S	C	.	.	H	α-helix	trans	-66.7	-39.6	175.2	-72.8	-179.8	-14.5	0	0	113.5	K242 L244 H248 K249	K242-Q246 WeakPolarHBondContact O-CB 3.19Å; K242-Q246 VanDerWaalsContact O-CG 3.31Å; K242-Q246 WeakPolarHBondContact O-CG 3.46Å; K242-Q246 PolarHBondContact O-N 3.44Å; L244-Q246 VanDerWaalsContact C-N 3.29Å; L244-Q246 PolarHBondContact O-N 3.27Å; Q246-H248 VanDerWaalsContact C-N 3.3Å; Q246-H248 PolarHBondContact O-N 2.77Å; Q246-K249 PolarHBondContact O-N 3.07Å
247	L	98.8	Very high	98.9	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-44.4	174.8	176.8	67.1	0	0	0	111	E243 L244 A371 M380 F394 V436 K440	E243-L247 WeakPolarHBondContact O-CB 3.38Å; E243-L247 PolarHBondContact O-N 3.46Å; L244-L247 HydrophobicContact CD2-CD2 4.44Å; L244-L247 PolarHBondContact O-N 3.28Å; L247-A371 HydrophobicContact CD1-CB 3.72Å; L247-A371 HydrophobicContact CG-CB 3.84Å; L247-A371 VanDerWaalsContact O-CB 3.31Å; L247-A371 WeakPolarHBondContact O-CB 3.41Å; L247-M380 VanDerWaalsContact O-CE 3.31Å; L247-M380 WeakPolarHBondContact O-CE 3.34Å; L247-F394 HydrophobicContact CD2-CZ 4.22Å; L247-V436 HydrophobicContact CD2-CG1 4.37Å; L247-K440 HydrophobicContact CD1-CD 3.97Å; L247-K440 HydrophobicContact CD1-CG 3.75Å
248	H	98.8	Very high	98.9	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.019	21%	0.212	C	C	.	.	H	α-helix	trans	-90.6	0.4	-175.8	-72	-68.2	0	0	0	115.1	L244 A245 Q246 K250 A371 Y400 A402	L244-H248 PolarHBondContact O-CD2 3.08Å; L244-H248 PolarHBondContact O-N 3.01Å; A245-H248 PolarHBondContact O-N 3.45Å; Q246-H248 VanDerWaalsContact C-N 3.3Å; Q246-H248 PolarHBondContact O-N 2.77Å; H248-K250 VanDerWaalsContact C-N 3.28Å; H248-K250 HydrophobicContact CB-CG 3.92Å; H248-K250 PolarHBondContact O-N 2.91Å; H248-A371 PolarHBondContact CE1-O 2.91Å; H248-Y400 AromaticContact CD2-CE2 3.71Å; H248-Y400 AromaticContact NE2-CE2 3.41Å; H248-Y400 WeakPolarHBondContact NE2-CE2 3.32Å; H248-Y400 AromaticContact NE2-CZ 3.61Å; H248-Y400 PolarHBondContact NE2-OH 3.14Å; H248-A402 HydrophobicContact CB-CB 3.88Å
249	K	98.6	Very high	98.9	Very high	136 Å²	136	37 Å²	37	59%	0.591	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	45.9	-174.1	-55.3	173.4	-172.1	159.5	0	111.8	A245 Q246 M380	A245-K249 PolarHBondContact O-N 2.98Å; Q246-K249 PolarHBondContact O-N 3.07Å; K249-M380 HydrophobicContact CB-CE 4.49Å; K249-M380 HydrophobicContact CD-CE 4.12Å; K249-M380 HydrophobicContact CD-SD 3.7Å; K249-M380 HydrophobicContact CG-CE 4.06Å; K249-M380 HydrophobicContact CG-SD 4.31Å; K249-M380 PolarHBondContact NZ-SD 3.35Å
250	K	98.9	Very high	98.8	Very high	35 Å²	35	38.6 Å²	38.6	15%	0.152	19%	0.194	C	C	.	.			trans	-117.4	158.1	177.7	-57.4	-61.2	166.4	-176.8	0	110.7	A245 H248 A252 M380 I383 A402	A245-K250 PolarHBondContact O-N 2.74Å; H248-K250 VanDerWaalsContact C-N 3.28Å; H248-K250 HydrophobicContact CB-CG 3.92Å; H248-K250 PolarHBondContact O-N 2.91Å; K250-A252 VanDerWaalsContact C-N 3.28Å; K250-A252 PolarHBondContact O-N 3.14Å; K250-M380 WeakPolarHBondContact CE-O 3.47Å; K250-M380 PolarHBondContact NZ-O 3.15Å; K250-I383 WeakPolarHBondContact CE-O 3.43Å; K250-I383 PolarHBondContact NZ-O 3.14Å; K250-A402 HydrophobicContact CB-CB 4.28Å; K250-A402 HydrophobicContact CG-CB 4.07Å
251	D	98.8	Very high	98.8	Very high	120 Å²	120	40.4 Å²	40.4	64%	0.642	21%	0.206	S	C	*	.	S	Bend	trans	-61.5	-38.5	-179.6	-45.5	-19.5	0	0	0	112	S404 A405	D251-S404 WeakPolarHBondContact OD2-CA 3.14Å; D251-A405 HydrophobicContact CB-CB 3.84Å; D251-A405 PolarHBondContact OD2-N 3.26Å
252	A	98.9	Very high	98.8	Very high	23 Å²	23	39.3 Å²	39.3	19%	0.19	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.7	-174.1	0	0	0	0	0	112.4	K250 A402 S403 V408	K250-A252 VanDerWaalsContact C-N 3.28Å; K250-A252 PolarHBondContact O-N 3.14Å; A252-A402 WeakPolarHBondContact O-CA 3.42Å; A252-S403 PolarHBondContact N-O 3.07Å; A252-S403 PolarHBondContact O-N 3.02Å; A252-S403 VanDerWaalsContact O-N 3.07Å; A252-V408 HydrophobicContact CB-CB 3.86Å; A252-V408 HydrophobicContact CB-CG1 3.75Å; A252-V408 HydrophobicContact CB-CG2 3.98Å
253	A	98.9	Very high	98.8	Very high	7 Å²	7	32.9 Å²	32.9	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161.4	168.8	0	0	0	0	0	110	E241 L244 A245 I401 A402	E241-A253 WeakPolarHBondContact O-CB 3.46Å; L244-A253 HydrophobicContact CB-CB 3.79Å; A245-A253 HydrophobicContact CB-CB 4.19Å; A253-I401 CarbonylContact C-O 3.39Å; A253-I401 WeakPolarHBondContact CA-O 3.3Å; A253-I401 VanDerWaalsContact CB-O 3.23Å; A253-I401 WeakPolarHBondContact CB-O 3.48Å; A253-A402 HydrophobicContact CB-CB 3.97Å
254	L	98.9	Very high	98.8	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.2	-176.7	-166.7	68.7	0	0	0	110.6	F256 Y400 I401 V408 V411 R412 F418	L254-F256 HydrophobicContact CB-CE2 4.22Å; L254-F256 HydrophobicContact CD2-CE2 3.95Å; L254-F256 HydrophobicContact CD2-CZ 3.85Å; L254-F256 HydrophobicContact CG-CE2 4.15Å; L254-F256 HydrophobicContact CG-CZ 4.49Å; L254-F256 WeakPolarHBondContact O-CD2 3.43Å; L254-Y400 CarbonylContact O-C 3.45Å; L254-Y400 WeakPolarHBondContact O-CA 3.49Å; L254-Y400 VanDerWaalsContact O-CB 3.25Å; L254-Y400 WeakPolarHBondContact O-CB 3.17Å; L254-I401 HydrophobicContact CB-CG1 4.07Å; L254-I401 PolarHBondContact N-O 3.37Å; L254-I401 PolarHBondContact O-N 3.48Å; L254-I401 VanDerWaalsContact O-N 3.09Å; L254-V408 HydrophobicContact CB-CG1 4.07Å; L254-V411 HydrophobicContact CD2-CB 4.26Å; L254-V411 HydrophobicContact CD2-CG1 3.92Å; L254-R412 HydrophobicContact CD1-CB 3.84Å; L254-R412 HydrophobicContact CD1-CG 3.84Å; L254-R412 HydrophobicContact CD2-CB 3.98Å; L254-F418 HydrophobicContact CD1-CD2 4.25Å; L254-F418 HydrophobicContact CD1-CE1 4.4Å; L254-F418 HydrophobicContact CD1-CE2 3.49Å; L254-F418 VanDerWaalsContact CD1-CE2 3.49Å; L254-F418 HydrophobicContact CD1-CZ 3.59Å; L254-F418 HydrophobicContact CD2-CD2 3.98Å; L254-F418 HydrophobicContact CD2-CE2 4.07Å; L254-F418 HydrophobicContact CD2-CG 4.35Å; L254-F418 HydrophobicContact CG-CD2 3.96Å; L254-F418 HydrophobicContact CG-CE2 3.65Å; L254-F418 HydrophobicContact CG-CZ 4.23Å
255	V	98.9	Very high	98.8	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.1	-176.8	170.7	0	0	0	0	112	M240 E241 L244 G399 F418 L424 L429	M240-V255 HydrophobicContact CB-CG2 4.5Å; M240-V255 HydrophobicContact CG-CG2 4.11Å; E241-V255 HydrophobicContact CG-CB 4.14Å; E241-V255 HydrophobicContact CG-CG2 3.67Å; E241-V255 PolarHBondContact OE1-N 3.5Å; L244-V255 HydrophobicContact CD1-CG2 3.8Å; V255-G399 WeakPolarHBondContact CA-O 3.49Å; V255-F418 WeakPolarHBondContact O-CE2 3.44Å; V255-L424 HydrophobicContact CG1-CD1 3.81Å; V255-L429 HydrophobicContact CG1-CD2 4.11Å
256	F	98.9	Very high	98.8	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.022	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	162.7	178.8	-61.9	-104.6	0	0	0	111.2	L254 S258 V261 A262 G399 I401 V411 F418	L254-F256 HydrophobicContact CB-CE2 4.22Å; L254-F256 HydrophobicContact CD2-CE2 3.95Å; L254-F256 HydrophobicContact CD2-CZ 3.85Å; L254-F256 HydrophobicContact CG-CE2 4.15Å; L254-F256 HydrophobicContact CG-CZ 4.49Å; L254-F256 WeakPolarHBondContact O-CD2 3.43Å; F256-S258 PolarHBondContact O-N 2.96Å; F256-S258 VanDerWaalsContact O-N 3.16Å; F256-V261 HydrophobicContact CB-CG1 4.49Å; F256-V261 HydrophobicContact CD1-CG1 4.07Å; F256-A262 HydrophobicContact CB-CB 4.1Å; F256-A262 HydrophobicContact CD2-CB 3.55Å; F256-A262 HydrophobicContact CE2-CB 3.98Å; F256-A262 HydrophobicContact CG-CB 3.86Å; F256-G399 PolarHBondContact N-O 3.46Å; F256-G399 PolarHBondContact O-N 2.7Å; F256-I401 HydrophobicContact CE2-CG1 4.26Å; F256-I401 HydrophobicContact CE2-CG2 4.31Å; F256-V411 HydrophobicContact CZ-CG1 3.8Å; F256-F418 HydrophobicContact CD1-CB 4.06Å; F256-F418 HydrophobicContact CD1-CD2 4.26Å; F256-F418 HydrophobicContact CE1-CB 3.77Å; F256-F418 HydrophobicContact CE1-CD2 4.31Å; F256-F418 HydrophobicContact CE1-CG 4.48Å
257	S	98.8	Very high	98.8	Very high	36 Å²	36	28.1 Å²	28.1	25%	0.252	15%	0.151	S	C	.	.	S	Bend	trans	-59.5	-27.3	-179.1	-39.2	0	0	0	0	114.4	G398	S257-G398 WeakPolarHBondContact O-CA 3.48Å
258	S	98.8	Very high	98.8	Very high	38 Å²	38	31.3 Å²	31.3	27%	0.266	17%	0.165	S	C	.	.			trans	-159.3	164.8	169.1	76.1	0	0	0	0	110.6	F256 F260 V261 A262	F256-S258 PolarHBondContact O-N 2.96Å; F256-S258 VanDerWaalsContact O-N 3.16Å; S258-F260 PolarHBondContact O-N 3.08Å; S258-F260 WeakPolarHBondContact OG-CB 3.31Å; S258-F260 PolarHBondContact OG-N 2.93Å; S258-V261 PolarHBondContact O-N 3.18Å; S258-V261 VanDerWaalsContact O-N 3.16Å; S258-V261 PolarHBondContact OG-N 2.84Å; S258-A262 PolarHBondContact O-N 3.37Å
259	C	98.8	Very high	98.8	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-71.7	-17.1	174.2	-155.8	0	0	0	0	113.1	A262 N263 V360 G388	C259-A262 PolarHBondContact O-N 3.25Å; C259-N263 WeakPolarHBondContact O-CB 3.49Å; C259-N263 VanDerWaalsContact O-CG 3.28Å; C259-N263 PolarHBondContact O-N 2.74Å; C259-N263 PolarHBondContact O-OD1 2.94Å; C259-N263 PolarHBondContact SG-OD1 3.08Å; C259-V360 HydrophobicContact CB-CG2 3.82Å; C259-V360 WeakPolarHBondContact SG-CG2 3.2Å; C259-G388 VanDerWaalsContact SG-C 3.53Å; C259-G388 PolarHBondContact SG-O 3.45Å
260	F	98.6	Very high	98.8	Very high	81 Å²	81	25.5 Å²	25.5	36%	0.355	14%	0.14	S	C	.	.	H	α-helix	trans	-60.5	-50.6	166.7	-170.7	-68.2	0	0	0	109.5	S258 N263 D264	S258-F260 PolarHBondContact O-N 3.08Å; S258-F260 WeakPolarHBondContact OG-CB 3.31Å; S258-F260 PolarHBondContact OG-N 2.93Å; F260-N263 PolarHBondContact O-N 3.42Å; F260-D264 HydrophobicContact CD1-CB 4.5Å; F260-D264 HydrophobicContact CE1-CB 4.4Å; F260-D264 VanDerWaalsContact O-CB 3.32Å; F260-D264 WeakPolarHBondContact O-CB 3.48Å; F260-D264 PolarHBondContact O-N 3.12Å
261	V	98.8	Very high	98.8	Very high	39 Å²	39	24.1 Å²	24.1	24%	0.236	14%	0.135	C	C	.	.	H	α-helix	trans	-66.4	-37.9	178.6	-179.4	0	0	0	0	111.3	F256 S258 S265 G417	F256-V261 HydrophobicContact CB-CG1 4.49Å; F256-V261 HydrophobicContact CD1-CG1 4.07Å; S258-V261 PolarHBondContact O-N 3.18Å; S258-V261 VanDerWaalsContact O-N 3.16Å; S258-V261 PolarHBondContact OG-N 2.84Å; V261-S265 WeakPolarHBondContact O-CB 3.3Å; V261-S265 PolarHBondContact O-N 3.48Å; V261-S265 PolarHBondContact O-OG 3.23Å; V261-G417 WeakPolarHBondContact CG1-O 3.28Å
262	A	98.8	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-49.5	176.6	0	0	0	0	0	112	F256 S258 C259 T266 I401	F256-A262 HydrophobicContact CB-CB 4.1Å; F256-A262 HydrophobicContact CD2-CB 3.55Å; F256-A262 HydrophobicContact CE2-CB 3.98Å; F256-A262 HydrophobicContact CG-CB 3.86Å; S258-A262 PolarHBondContact O-N 3.37Å; C259-A262 PolarHBondContact O-N 3.25Å; A262-T266 WeakPolarHBondContact O-CB 3.1Å; A262-T266 PolarHBondContact O-N 3.09Å; A262-T266 PolarHBondContact O-OG1 2.87Å; A262-I401 HydrophobicContact CB-CG2 4.4Å
263	N	98.9	Very high	98.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-53	179.1	-69.2	5	0	0	0	111.8	C259 F260 S265 T266 L267 S288 M289 F356 D358 S387	C259-N263 WeakPolarHBondContact O-CB 3.49Å; C259-N263 VanDerWaalsContact O-CG 3.28Å; C259-N263 PolarHBondContact O-N 2.74Å; C259-N263 PolarHBondContact O-OD1 2.94Å; C259-N263 PolarHBondContact SG-OD1 3.08Å; F260-N263 PolarHBondContact O-N 3.42Å; N263-S265 PolarHBondContact O-N 3.44Å; N263-T266 PolarHBondContact O-N 2.99Å; N263-L267 WeakPolarHBondContact O-CB 3.48Å; N263-L267 PolarHBondContact O-N 3.3Å; N263-S288 WeakPolarHBondContact CB-OG 3.33Å; N263-S288 PolarHBondContact ND2-OG 2.82Å; N263-M289 HydrophobicContact CB-CG 3.92Å; N263-M289 WeakPolarHBondContact ND2-CG 3.45Å; N263-F356 HydrophobicContact CB-CZ 4.42Å; N263-D358 PolarHBondContact ND2-OD2 3.49Å; N263-S387 WeakPolarHBondContact OD1-CB 3.47Å; N263-S387 PolarHBondContact OD1-OG 3.06Å
264	D	98.8	Very high	98.6	Very high	27 Å²	27	29 Å²	29	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-53.8	-178.8	-176.3	15.3	0	0	0	110.3	F260 T266 F268 S288 Q291 G292	F260-D264 HydrophobicContact CD1-CB 4.5Å; F260-D264 HydrophobicContact CE1-CB 4.4Å; F260-D264 VanDerWaalsContact O-CB 3.32Å; F260-D264 WeakPolarHBondContact O-CB 3.48Å; F260-D264 PolarHBondContact O-N 3.12Å; D264-T266 PolarHBondContact O-N 2.73Å; D264-F268 WeakPolarHBondContact O-CB 3.25Å; D264-F268 PolarHBondContact O-N 3.46Å; D264-S288 WeakPolarHBondContact CA-O 3.09Å; D264-Q291 PolarHBondContact OD2-NE2 3.13Å; D264-G292 WeakPolarHBondContact O-CA 3.27Å; D264-G292 WeakPolarHBondContact OD1-CA 3.28Å; D264-G292 PolarHBondContact OD1-N 3.27Å; D264-G292 VanDerWaalsContact OD1-N 3.12Å
265	S	98.8	Very high	98.5	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-40.2	-178.3	-53.5	0	0	0	0	113	V261 N263 T269	V261-S265 WeakPolarHBondContact O-CB 3.3Å; V261-S265 PolarHBondContact O-N 3.48Å; V261-S265 PolarHBondContact O-OG 3.23Å; N263-S265 PolarHBondContact O-N 3.44Å; S265-T269 WeakPolarHBondContact O-CB 3.18Å; S265-T269 PolarHBondContact O-N 3.12Å; S265-T269 PolarHBondContact O-OG1 3.05Å
266	T	98.9	Very high	98.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-73.7	-50.6	-176.6	-56.7	0	0	0	0	111.2	A262 N263 D264 F268 T269 L270 F356 I401 V411	A262-T266 WeakPolarHBondContact O-CB 3.1Å; A262-T266 PolarHBondContact O-N 3.09Å; A262-T266 PolarHBondContact O-OG1 2.87Å; N263-T266 PolarHBondContact O-N 2.99Å; D264-T266 PolarHBondContact O-N 2.73Å; T266-F268 VanDerWaalsContact C-N 3.33Å; T266-F268 PolarHBondContact O-N 2.76Å; T266-T269 PolarHBondContact O-N 3.43Å; T266-L270 HydrophobicContact CG2-CD1 3.73Å; T266-L270 HydrophobicContact CG2-CG 4.21Å; T266-L270 WeakPolarHBondContact O-CB 3.44Å; T266-L270 WeakPolarHBondContact O-CG 3.1Å; T266-L270 PolarHBondContact O-N 3.49Å; T266-F356 HydrophobicContact CG2-CD2 4.34Å; T266-F356 HydrophobicContact CG2-CE2 3.75Å; T266-I401 HydrophobicContact CG2-CD1 3.88Å; T266-I401 HydrophobicContact CG2-CG2 4.27Å; T266-I401 WeakPolarHBondContact OG1-CG2 3.34Å; T266-V411 HydrophobicContact CG2-CG2 3.99Å
267	L	98.8	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-40.7	178.1	-74.6	161.7	0	0	0	111	N263 A271 M289 I293 I325 A327 F356	N263-L267 WeakPolarHBondContact O-CB 3.48Å; N263-L267 PolarHBondContact O-N 3.3Å; L267-A271 WeakPolarHBondContact O-CB 3.49Å; L267-A271 PolarHBondContact O-N 2.85Å; L267-M289 HydrophobicContact CD1-CB 3.6Å; L267-M289 HydrophobicContact CD1-CG 3.61Å; L267-M289 HydrophobicContact CD1-SD 4.36Å; L267-I293 HydrophobicContact CB-CG1 4.2Å; L267-I293 HydrophobicContact CD1-CD1 4.25Å; L267-I293 HydrophobicContact CD1-CG1 4.18Å; L267-I293 HydrophobicContact CD2-CG1 4.36Å; L267-I293 HydrophobicContact CG-CG1 4.49Å; L267-I325 HydrophobicContact CD2-CG2 4.34Å; L267-A327 HydrophobicContact CD2-CB 4.27Å; L267-F356 HydrophobicContact CD1-CD1 3.93Å; L267-F356 HydrophobicContact CD1-CE1 3.77Å; L267-F356 HydrophobicContact CD1-CG 4.47Å; L267-F356 HydrophobicContact CD1-CZ 4.15Å; L267-F356 HydrophobicContact CD2-CB 4.11Å; L267-F356 HydrophobicContact CD2-CD1 4Å; L267-F356 HydrophobicContact CD2-CD2 4.01Å; L267-F356 HydrophobicContact CD2-CE1 4.5Å; L267-F356 HydrophobicContact CD2-CE2 4.5Å; L267-F356 HydrophobicContact CD2-CG 3.74Å; L267-F356 HydrophobicContact CG-CD1 4.1Å; L267-F356 HydrophobicContact CG-CD2 4.14Å; L267-F356 HydrophobicContact CG-CE1 4.1Å; L267-F356 HydrophobicContact CG-CE2 4.13Å; L267-F356 HydrophobicContact CG-CG 4.14Å; L267-F356 HydrophobicContact CG-CZ 4.11Å
268	F	98.8	Very high	98.3	Very high	76 Å²	76	39.4 Å²	39.4	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-57.4	-53.2	171.7	177.3	-92.3	0	0	0	111.7	D264 T266 K272 N295	D264-F268 WeakPolarHBondContact O-CB 3.25Å; D264-F268 PolarHBondContact O-N 3.46Å; T266-F268 VanDerWaalsContact C-N 3.33Å; T266-F268 PolarHBondContact O-N 2.76Å; F268-K272 HydrophobicContact CZ-CG 4.41Å; F268-K272 WeakPolarHBondContact O-CB 3.48Å; F268-K272 PolarHBondContact O-N 3.22Å; F268-N295 HydrophobicContact CD2-CB 3.67Å; F268-N295 HydrophobicContact CE2-CB 4.05Å; F268-N295 WeakPolarHBondContact CE2-O 3.14Å
269	T	98.8	Very high	98.3	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-44.4	-173	-57.2	0	0	0	0	111.8	S265 T266 K272 N273 A415	S265-T269 WeakPolarHBondContact O-CB 3.18Å; S265-T269 PolarHBondContact O-N 3.12Å; S265-T269 PolarHBondContact O-OG1 3.05Å; T266-T269 PolarHBondContact O-N 3.43Å; T269-K272 PolarHBondContact O-N 3.1Å; T269-N273 VanDerWaalsContact O-CB 3.28Å; T269-N273 WeakPolarHBondContact O-CB 3.49Å; T269-N273 VanDerWaalsContact O-CG 3.28Å; T269-N273 PolarHBondContact O-N 2.83Å; T269-A415 WeakPolarHBondContact OG1-CA 3.23Å
270	L	98.7	Very high	98.3	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-50.6	177.9	-63.8	176	0	0	0	111.2	T266 K272 N273 L274 I325 L407 V411	T266-L270 HydrophobicContact CG2-CD1 3.73Å; T266-L270 HydrophobicContact CG2-CG 4.21Å; T266-L270 WeakPolarHBondContact O-CB 3.44Å; T266-L270 WeakPolarHBondContact O-CG 3.1Å; T266-L270 PolarHBondContact O-N 3.49Å; L270-K272 PolarHBondContact O-N 2.99Å; L270-N273 PolarHBondContact O-N 2.82Å; L270-L274 HydrophobicContact CB-CD1 4.44Å; L270-L274 VanDerWaalsContact O-CB 3.3Å; L270-L274 WeakPolarHBondContact O-CB 3.41Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.28Å; L270-L274 PolarHBondContact O-N 3.38Å; L270-I325 HydrophobicContact CB-CD1 3.72Å; L270-I325 HydrophobicContact CD1-CD1 4.28Å; L270-L407 HydrophobicContact CD1-CD1 4.37Å; L270-L407 HydrophobicContact CD1-CD2 4.29Å; L270-L407 HydrophobicContact CD2-CD1 4.38Å; L270-L407 HydrophobicContact CD2-CD2 4.33Å; L270-L407 HydrophobicContact CD2-CG 4.06Å; L270-V411 HydrophobicContact CD2-CG2 4.2Å; L270-V411 HydrophobicContact CG-CG2 4.44Å
271	A	97.8	Very high	98.3	Very high	6 Å²	6	33.7 Å²	33.7	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-23.2	179.9	0	0	0	0	0	113.2	L267 I279 A298	L267-A271 WeakPolarHBondContact O-CB 3.49Å; L267-A271 PolarHBondContact O-N 2.85Å; A271-I279 HydrophobicContact CB-CD1 3.7Å; A271-I279 HydrophobicContact CB-CG1 4.08Å; A271-A298 HydrophobicContact CB-CB 3.96Å
272	K	97.4	Very high	98.2	Very high	116 Å²	116	32 Å²	32	50%	0.504	16%	0.164	S	C	.	.	H	α-helix	trans	-87	-32.8	177.9	-169	53.3	168.7	-179.4	0	114.1	F268 T269 L270 S296	F268-K272 HydrophobicContact CZ-CG 4.41Å; F268-K272 WeakPolarHBondContact O-CB 3.48Å; F268-K272 PolarHBondContact O-N 3.22Å; T269-K272 PolarHBondContact O-N 3.1Å; L270-K272 PolarHBondContact O-N 2.99Å; K272-S296 PolarHBondContact NZ-O 3.09Å
273	N	97.2	Very high	97.8	Very high	83 Å²	83	35 Å²	35	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-93.6	-25.3	-176.4	-68.1	-5.9	0	0	0	113.2	T269 L270	T269-N273 VanDerWaalsContact O-CB 3.28Å; T269-N273 WeakPolarHBondContact O-CB 3.49Å; T269-N273 VanDerWaalsContact O-CG 3.28Å; T269-N273 PolarHBondContact O-N 2.83Å; L270-N273 PolarHBondContact O-N 2.82Å
274	L	98.1	Very high	97.2	Very high	54 Å²	54	36 Å²	36	28%	0.283	20%	0.199	S	C	.	.	S	Bend	trans	-73.9	129.6	173	-71.2	169	0	0	0	110.2	L270 E276 C277 P323 I325	L270-L274 HydrophobicContact CB-CD1 4.44Å; L270-L274 VanDerWaalsContact O-CB 3.3Å; L270-L274 WeakPolarHBondContact O-CB 3.41Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.28Å; L270-L274 PolarHBondContact O-N 3.38Å; L274-E276 PolarHBondContact O-N 2.88Å; L274-C277 HydrophobicContact CB-CB 3.78Å; L274-C277 PolarHBondContact O-N 2.9Å; L274-P323 HydrophobicContact CB-CB 4.26Å; L274-P323 HydrophobicContact CB-CG 4.05Å; L274-P323 HydrophobicContact CD1-CB 4.45Å; L274-P323 HydrophobicContact CD2-CB 4.3Å; L274-I325 HydrophobicContact CD1-CD1 4.25Å
275	P	97.5	Very high	96.8	Very high	97 Å²	97	35 Å²	35	63%	0.63	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	125.7	-174.5	26.7	-34.6	0	0	0	111.4	C277 P323	P275-C277 PolarHBondContact O-N 3.41Å; P275-C277 VanDerWaalsContact O-N 3.14Å; P275-P323 HydrophobicContact CG-CG 4.35Å; P275-P323 VanDerWaalsContact O-CD 3.22Å; P275-P323 WeakPolarHBondContact O-CD 3.35Å; P275-P323 WeakPolarHBondContact O-CG 3.25Å
276	E	96.1	Very high	96.6	Very high	155 Å²	155	37.7 Å²	37.7	72%	0.724	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	28.5	179.7	-57.3	-163	86.9	0	0	115.5	L274	L274-E276 PolarHBondContact O-N 2.88Å
277	C	98.3	Very high	95.9	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.02	23%	0.228	C	C	.	.			trans	-51.7	140.1	-172.4	-163.6	0	0	0	0	114.2	L274 P275 A298 K299 P323	L274-C277 HydrophobicContact CB-CB 3.78Å; L274-C277 PolarHBondContact O-N 2.9Å; P275-C277 PolarHBondContact O-N 3.41Å; P275-C277 VanDerWaalsContact O-N 3.14Å; C277-A298 WeakPolarHBondContact O-CB 3.5Å; C277-K299 PolarHBondContact O-N 2.94Å; C277-P323 WeakPolarHBondContact CA-O 3.24Å
278	E	98.6	Very high	95.7	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.065	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127	178.1	-59.9	-167.4	157.7	0	0	111.2	Y280 K299 F301 S318 T322 P323 K324 I325	E278-Y280 HydrophobicContact CB-CE2 3.86Å; E278-Y280 PolarHBondContact OE2-OH 2.84Å; E278-K299 HydrophobicContact CG-CB 4.11Å; E278-K299 HydrophobicContact CG-CD 4.15Å; E278-K299 HydrophobicContact CG-CG 4.41Å; E278-K299 WeakPolarHBondContact OE1-CD 3.26Å; E278-K299 IonicContact OE1-NZ 3.82Å; E278-K299 PolarHBondContact OE1-NZ 3.49Å; E278-F301 HydrophobicContact CB-CE2 4.09Å; E278-F301 HydrophobicContact CG-CE2 4.27Å; E278-S318 VanDerWaalsContact OE2-CB 3.3Å; E278-S318 WeakPolarHBondContact OE2-CB 3.38Å; E278-S318 PolarHBondContact OE2-OG 3.36Å; E278-T322 HydrophobicContact CG-CG2 3.7Å; E278-P323 PolarHBondContact N-O 3.26Å; E278-K324 CarbonylContact O-C 3.47Å; E278-K324 VanDerWaalsContact O-CA 3.22Å; E278-K324 WeakPolarHBondContact O-CA 3.31Å; E278-I325 PolarHBondContact O-N 2.81Å
279	I	98.4	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.3	-176.8	-48.2	-60.9	0	0	0	110.5	A271 I293 A298 K299 R300 F301 I325	A271-I279 HydrophobicContact CB-CD1 3.7Å; A271-I279 HydrophobicContact CB-CG1 4.08Å; I279-I293 HydrophobicContact CB-CG2 4.06Å; I279-I293 HydrophobicContact CG1-CG2 4.32Å; I279-I293 HydrophobicContact CG2-CD1 3.73Å; I279-I293 HydrophobicContact CG2-CG1 3.88Å; I279-I293 HydrophobicContact CG2-CG2 3.88Å; I279-A298 HydrophobicContact CG1-CB 3.95Å; I279-K299 PolarHBondContact N-O 2.77Å; I279-R300 CarbonylContact O-C 3.46Å; I279-R300 WeakPolarHBondContact O-CA 3.41Å; I279-F301 PolarHBondContact O-N 3.4Å; I279-I325 WeakPolarHBondContact CA-O 3.45Å; I279-I325 HydrophobicContact CD1-CB 3.76Å; I279-I325 HydrophobicContact CD1-CD1 3.9Å; I279-I325 HydrophobicContact CD1-CG1 3.96Å
280	Y	98.6	Very high	95.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	103.7	176.3	-63.7	-100.2	0	0	0	107.1	E278 F301 L311 L314 L315 S318 K324 I325 V326 A327	E278-Y280 HydrophobicContact CB-CE2 3.86Å; E278-Y280 PolarHBondContact OE2-OH 2.84Å; Y280-F301 HydrophobicContact CD1-CB 3.9Å; Y280-F301 HydrophobicContact CD1-CD2 4.16Å; Y280-F301 HydrophobicContact CD1-CG 4.38Å; Y280-F301 HydrophobicContact CE1-CB 4.03Å; Y280-F301 AromaticContact CE1-CD2 3.63Å; Y280-F301 HydrophobicContact CE1-CD2 3.63Å; Y280-F301 HydrophobicContact CE1-CE2 4.41Å; Y280-F301 HydrophobicContact CE1-CG 4.03Å; Y280-F301 HydrophobicContact CE2-CD2 4.03Å; Y280-F301 HydrophobicContact CE2-CE2 4.5Å; Y280-F301 AromaticContact CZ-CD2 3.55Å; Y280-F301 AromaticContact CZ-CE2 3.99Å; Y280-L311 HydrophobicContact CD1-CD1 4.21Å; Y280-L311 HydrophobicContact CG-CD1 4.3Å; Y280-L314 HydrophobicContact CD1-CB 4.09Å; Y280-L314 HydrophobicContact CE1-CB 3.9Å; Y280-L315 HydrophobicContact CD1-CD2 3.98Å; Y280-L315 HydrophobicContact CD1-CG 4.04Å; Y280-L315 HydrophobicContact CD2-CD2 3.83Å; Y280-L315 HydrophobicContact CE1-CD2 3.77Å; Y280-L315 HydrophobicContact CE1-CG 3.95Å; Y280-L315 HydrophobicContact CE2-CD2 3.63Å; Y280-L315 HydrophobicContact CG-CD2 4.02Å; Y280-L315 HydrophobicContact CG-CG 4.43Å; Y280-S318 VanDerWaalsContact OH-CB 3.22Å; Y280-S318 WeakPolarHBondContact OH-CB 3.43Å; Y280-K324 HydrophobicContact CD2-CB 4.28Å; Y280-K324 HydrophobicContact CE2-CB 4Å; Y280-K324 HydrophobicContact CE2-CD 3.96Å; Y280-K324 HydrophobicContact CE2-CG 4.15Å; Y280-I325 PolarHBondContact N-O 2.93Å; Y280-V326 CarbonylContact O-C 3.49Å; Y280-V326 WeakPolarHBondContact O-CA 3.39Å; Y280-A327 PolarHBondContact O-N 2.83Å
281	S	97.5	Very high	94.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133	-175.5	179.7	0	0	0	0	110.3	N285 F301 I302 F303	S281-N285 PolarHBondContact OG-ND2 3.21Å; S281-F301 PolarHBondContact N-O 3.29Å; S281-I302 CarbonylContact O-C 3.57Å; S281-I302 VanDerWaalsContact O-CA 3.27Å; S281-I302 WeakPolarHBondContact O-CA 3.22Å; S281-F303 VanDerWaalsContact C-CD1 3.43Å; S281-F303 VanDerWaalsContact O-CD1 3.28Å; S281-F303 WeakPolarHBondContact O-CD1 3.28Å; S281-F303 PolarHBondContact O-N 2.67Å
282	D	97.9	Very high	94.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	145.5	161.2	-170.6	-73.1	0	0	0	109.8	G284 N285 F303 H305 N306 A327 F328	D282-G284 VanDerWaalsContact C-N 3.33Å; D282-G284 PolarHBondContact OD1-N 2.84Å; D282-N285 PolarHBondContact N-ND2 2.84Å; D282-N285 WeakPolarHBondContact O-CB 3.12Å; D282-N285 PolarHBondContact O-N 2.56Å; D282-N285 PolarHBondContact O-ND2 3.24Å; D282-F303 HydrophobicContact CB-CE1 4.17Å; D282-F303 HydrophobicContact CB-CE2 3.82Å; D282-F303 HydrophobicContact CB-CZ 3.62Å; D282-F303 WeakPolarHBondContact OD2-CE2 3.03Å; D282-H305 IonicContact OD1-CE1 3.88Å; D282-H305 IonicContact OD1-CG 2.67Å; D282-H305 IonicContact OD1-ND1 2.64Å; D282-H305 PolarHBondContact OD1-ND1 3.35Å; D282-H305 WeakPolarHBondContact OD2-CA 3.41Å; D282-H305 IonicContact OD2-ND1 3.7Å; D282-H305 PolarHBondContact OD2-ND1 3.02Å; D282-N306 PolarHBondContact OD2-N 3.08Å; D282-A327 PolarHBondContact N-O 2.97Å; D282-F328 HydrophobicContact CB-CB 3.97Å
283	A	89.5	Confident	94.3	Very high	61 Å²	61	37.2 Å²	37.2	50%	0.504	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.1	179.8	0	0	0	0	0	114.2	I302 F303	A283-I302 HydrophobicContact CB-CG2 3.87Å; A283-F303 WeakPolarHBondContact CB-O 3.38Å; A283-F303 PolarHBondContact N-O 2.81Å
284	G	87.1	Confident	93.9	Very high	22 Å²	22	41.3 Å²	41.3	23%	0.227	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.4	178.1	0	0	0	0	0	114.7	D282 H286 H332	D282-G284 VanDerWaalsContact C-N 3.33Å; D282-G284 PolarHBondContact OD1-N 2.84Å; G284-H286 PolarHBondContact O-N 3.37Å; G284-H332 PolarHBondContact O-NE2 2.85Å
285	N	90.8	Very high	93.4	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.032	23%	0.233	C	C	.	.			trans	-50.7	129.2	-173.3	-92.1	-21.2	0	0	0	114.4	S281 D282 M289 I290 A327 F328	S281-N285 PolarHBondContact OG-ND2 3.21Å; D282-N285 PolarHBondContact N-ND2 2.84Å; D282-N285 WeakPolarHBondContact O-CB 3.12Å; D282-N285 PolarHBondContact O-N 2.56Å; D282-N285 PolarHBondContact O-ND2 3.24Å; N285-M289 HydrophobicContact CB-CB 4.48Å; N285-M289 HydrophobicContact CB-CE 3.99Å; N285-M289 WeakPolarHBondContact OD1-CE 3.44Å; N285-I290 HydrophobicContact CB-CG1 4.3Å; N285-I290 WeakPolarHBondContact O-CD1 3.25Å; N285-A327 PolarHBondContact ND2-O 2.89Å; N285-F328 VanDerWaalsContact OD1-CA 3.27Å; N285-F328 WeakPolarHBondContact OD1-CA 3.44Å
286	H	94.1	Very high	93.1	Very high	69 Å²	69	38.2 Å²	38.2	32%	0.319	20%	0.203	S	C	.	.			trans	-52	145	175.3	-179	-100	0	0	0	113.3	G284 S288 M289 I290 E329	G284-H286 PolarHBondContact O-N 3.37Å; H286-S288 PolarHBondContact ND1-N 2.98Å; H286-S288 PolarHBondContact ND1-OG 3.4Å; H286-S288 PolarHBondContact O-N 2.97Å; H286-M289 HydrophobicContact CB-CE 4.29Å; H286-M289 PolarHBondContact O-N 2.98Å; H286-I290 PolarHBondContact O-N 2.91Å; H286-E329 WeakPolarHBondContact CB-OE1 3.26Å; H286-E329 PolarHBondContact N-OE1 3.11Å
287	A	84.7	Confident	93	Very high	60 Å²	60	41.5 Å²	41.5	50%	0.496	21%	0.209	S	C	.	.	H	α-helix	trans	-53.3	-29.1	-171.6	0	0	0	0	0	115.1	I290 Q291	A287-I290 PolarHBondContact O-N 2.87Å; A287-Q291 WeakPolarHBondContact O-CB 3.09Å; A287-Q291 PolarHBondContact O-N 3.42Å
288	S	94.8	Very high	92.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-37.4	175.7	57.1	0	0	0	0	113.5	N263 D264 H286 G292	N263-S288 WeakPolarHBondContact CB-OG 3.33Å; N263-S288 PolarHBondContact ND2-OG 2.82Å; D264-S288 WeakPolarHBondContact CA-O 3.09Å; H286-S288 PolarHBondContact ND1-N 2.98Å; H286-S288 PolarHBondContact ND1-OG 3.4Å; H286-S288 PolarHBondContact O-N 2.97Å; S288-G292 PolarHBondContact O-N 3.22Å
289	M	97.8	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.8	-47.2	174.7	-64.8	-170.3	-84.4	0	0	110.2	N263 L267 N285 H286 Q291 G292 I293 E329 F356 D358	N263-M289 HydrophobicContact CB-CG 3.92Å; N263-M289 WeakPolarHBondContact ND2-CG 3.45Å; L267-M289 HydrophobicContact CD1-CB 3.6Å; L267-M289 HydrophobicContact CD1-CG 3.61Å; L267-M289 HydrophobicContact CD1-SD 4.36Å; N285-M289 HydrophobicContact CB-CB 4.48Å; N285-M289 HydrophobicContact CB-CE 3.99Å; N285-M289 WeakPolarHBondContact OD1-CE 3.44Å; H286-M289 HydrophobicContact CB-CE 4.29Å; H286-M289 PolarHBondContact O-N 2.98Å; M289-Q291 PolarHBondContact O-N 2.87Å; M289-G292 PolarHBondContact O-N 3.31Å; M289-I293 HydrophobicContact CB-CD1 4.45Å; M289-I293 WeakPolarHBondContact O-CB 3.48Å; M289-I293 WeakPolarHBondContact O-CD1 3.49Å; M289-I293 WeakPolarHBondContact O-CG1 3.45Å; M289-I293 PolarHBondContact O-N 2.9Å; M289-E329 HydrophobicContact CE-CG 3.82Å; M289-F356 HydrophobicContact CG-CE1 4.24Å; M289-F356 HydrophobicContact SD-CD1 4.08Å; M289-F356 HydrophobicContact SD-CE1 3.89Å; M289-D358 HydrophobicContact CE-CB 3.96Å; M289-D358 HydrophobicContact SD-CB 4.08Å
290	I	88	Confident	92.3	Very high	61 Å²	61	52 Å²	52	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-55.6	-39.1	175.9	-63.8	179.7	0	0	0	111.2	N285 H286 A287 R294	N285-I290 HydrophobicContact CB-CG1 4.3Å; N285-I290 WeakPolarHBondContact O-CD1 3.25Å; H286-I290 PolarHBondContact O-N 2.91Å; A287-I290 PolarHBondContact O-N 2.87Å; I290-R294 HydrophobicContact CG2-CG 4.24Å; I290-R294 VanDerWaalsContact O-CB 3.3Å; I290-R294 WeakPolarHBondContact O-CB 3.4Å; I290-R294 VanDerWaalsContact O-CG 3.26Å; I290-R294 WeakPolarHBondContact O-CG 3.29Å; I290-R294 PolarHBondContact O-N 3.43Å
291	Q	89.6	Confident	92.2	Very high	80 Å²	80	55.2 Å²	55.2	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-55.6	178.1	-175.8	162.8	-60.9	0	0	112	D264 A287 M289 I293 R294 N295	D264-Q291 PolarHBondContact OD2-NE2 3.13Å; A287-Q291 WeakPolarHBondContact O-CB 3.09Å; A287-Q291 PolarHBondContact O-N 3.42Å; M289-Q291 PolarHBondContact O-N 2.87Å; Q291-I293 VanDerWaalsContact C-N 3.33Å; Q291-I293 PolarHBondContact O-N 2.84Å; Q291-R294 PolarHBondContact O-N 2.84Å; Q291-N295 VanDerWaalsContact CG-ND2 3.3Å; Q291-N295 WeakPolarHBondContact CG-ND2 3.22Å; Q291-N295 VanDerWaalsContact O-CB 3.28Å; Q291-N295 WeakPolarHBondContact O-CB 3.41Å; Q291-N295 PolarHBondContact O-N 3.2Å; Q291-N295 PolarHBondContact O-ND2 3.03Å
292	G	92.9	Very high	91.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-42.9	-179.7	0	0	0	0	0	112.8	D264 S288 M289 N295 S296	D264-G292 WeakPolarHBondContact O-CA 3.27Å; D264-G292 WeakPolarHBondContact OD1-CA 3.28Å; D264-G292 PolarHBondContact OD1-N 3.27Å; D264-G292 VanDerWaalsContact OD1-N 3.12Å; S288-G292 PolarHBondContact O-N 3.22Å; M289-G292 PolarHBondContact O-N 3.31Å; G292-N295 PolarHBondContact O-N 2.95Å; G292-S296 PolarHBondContact O-N 2.88Å; G292-S296 VanDerWaalsContact O-N 3.07Å
293	I	93.9	Very high	91.9	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-51.1	176.5	-63.6	168.9	0	0	0	110.6	L267 I279 M289 Q291 N295 S296 R300 A327	L267-I293 HydrophobicContact CB-CG1 4.2Å; L267-I293 HydrophobicContact CD1-CD1 4.25Å; L267-I293 HydrophobicContact CD1-CG1 4.18Å; L267-I293 HydrophobicContact CD2-CG1 4.36Å; L267-I293 HydrophobicContact CG-CG1 4.49Å; I279-I293 HydrophobicContact CB-CG2 4.06Å; I279-I293 HydrophobicContact CG1-CG2 4.32Å; I279-I293 HydrophobicContact CG2-CD1 3.73Å; I279-I293 HydrophobicContact CG2-CG1 3.88Å; I279-I293 HydrophobicContact CG2-CG2 3.88Å; M289-I293 HydrophobicContact CB-CD1 4.45Å; M289-I293 WeakPolarHBondContact O-CB 3.48Å; M289-I293 WeakPolarHBondContact O-CD1 3.49Å; M289-I293 WeakPolarHBondContact O-CG1 3.45Å; M289-I293 PolarHBondContact O-N 2.9Å; Q291-I293 VanDerWaalsContact C-N 3.33Å; Q291-I293 PolarHBondContact O-N 2.84Å; I293-N295 PolarHBondContact O-N 3.04Å; I293-S296 PolarHBondContact O-N 2.88Å; I293-S296 PolarHBondContact O-OG 3.24Å; I293-R300 HydrophobicContact CG2-CG 4.26Å; I293-A327 HydrophobicContact CD1-CB 4.3Å
294	R	87.1	Confident	92.1	Very high	169 Å²	169	62.2 Å²	62.2	64%	0.638	29%	0.287	S	S	*	.	H	α-helix	trans	-64.4	-40	179	-75.5	-174.8	70.7	-162.7	-0.3	112.7	I290 Q291 S296 R297	I290-R294 HydrophobicContact CG2-CG 4.24Å; I290-R294 VanDerWaalsContact O-CB 3.3Å; I290-R294 WeakPolarHBondContact O-CB 3.4Å; I290-R294 VanDerWaalsContact O-CG 3.26Å; I290-R294 WeakPolarHBondContact O-CG 3.29Å; I290-R294 PolarHBondContact O-N 3.43Å; Q291-R294 PolarHBondContact O-N 2.84Å; R294-S296 VanDerWaalsContact C-N 3.33Å; R294-S296 PolarHBondContact O-N 3.11Å; R294-R297 PolarHBondContact O-N 3.36Å
295	N	88.3	Confident	92.4	Very high	84 Å²	84	63.6 Å²	63.6	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-33.7	-177.6	-73.7	-16.6	0	0	0	112.2	F268 Q291 G292 I293 R297	F268-N295 HydrophobicContact CD2-CB 3.67Å; F268-N295 HydrophobicContact CE2-CB 4.05Å; F268-N295 WeakPolarHBondContact CE2-O 3.14Å; Q291-N295 VanDerWaalsContact CG-ND2 3.3Å; Q291-N295 WeakPolarHBondContact CG-ND2 3.22Å; Q291-N295 VanDerWaalsContact O-CB 3.28Å; Q291-N295 WeakPolarHBondContact O-CB 3.41Å; Q291-N295 PolarHBondContact O-N 3.2Å; Q291-N295 PolarHBondContact O-ND2 3.03Å; G292-N295 PolarHBondContact O-N 2.95Å; I293-N295 PolarHBondContact O-N 3.04Å; N295-R297 PolarHBondContact O-N 2.89Å
296	S	91.9	Very high	92.5	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-32.3	177.8	74.4	0	0	0	0	113.4	K272 G292 I293 R294 A298	K272-S296 PolarHBondContact NZ-O 3.09Å; G292-S296 PolarHBondContact O-N 2.88Å; G292-S296 VanDerWaalsContact O-N 3.07Å; I293-S296 PolarHBondContact O-N 2.88Å; I293-S296 PolarHBondContact O-OG 3.24Å; R294-S296 VanDerWaalsContact C-N 3.33Å; R294-S296 PolarHBondContact O-N 3.11Å; S296-A298 VanDerWaalsContact OG-CB 3.31Å; S296-A298 WeakPolarHBondContact OG-CB 3.33Å; S296-A298 PolarHBondContact OG-N 3.01Å
297	R	92.6	Very high	92.6	Very high	225 Å²	225	62.5 Å²	62.5	85%	0.849	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	20.7	-167.1	-46.3	-177.7	-172.8	-179.6	0	114.7	R294 N295	R294-R297 PolarHBondContact O-N 3.36Å; N295-R297 PolarHBondContact O-N 2.89Å
298	A	91.3	Very high	93.2	Very high	23 Å²	23	60.8 Å²	60.8	19%	0.19	27%	0.268	C	S	.	.			trans	-61	161.9	169.2	0	0	0	0	0	112	A271 C277 I279 S296	A271-A298 HydrophobicContact CB-CB 3.96Å; C277-A298 WeakPolarHBondContact O-CB 3.5Å; I279-A298 HydrophobicContact CG1-CB 3.95Å; S296-A298 VanDerWaalsContact OG-CB 3.31Å; S296-A298 WeakPolarHBondContact OG-CB 3.33Å; S296-A298 PolarHBondContact OG-N 3.01Å
299	K	94.1	Very high	93.3	Very high	94 Å²	94	70.1 Å²	70.1	41%	0.409	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	141.2	171.4	-53.1	-167.4	-156.3	111.1	0	108.6	C277 E278 I279 F301	C277-K299 PolarHBondContact O-N 2.94Å; E278-K299 HydrophobicContact CG-CB 4.11Å; E278-K299 HydrophobicContact CG-CD 4.15Å; E278-K299 HydrophobicContact CG-CG 4.41Å; E278-K299 WeakPolarHBondContact OE1-CD 3.26Å; E278-K299 IonicContact OE1-NZ 3.82Å; E278-K299 PolarHBondContact OE1-NZ 3.49Å; I279-K299 PolarHBondContact N-O 2.77Å; K299-F301 HydrophobicContact CB-CE2 4.4Å
300	R	95.3	Very high	93.3	Very high	121 Å²	121	71.9 Å²	71.9	46%	0.457	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.9	-174.1	175.5	177.5	58.2	152.5	2.3	110.8	I279 I293 I302	I279-R300 CarbonylContact O-C 3.46Å; I279-R300 WeakPolarHBondContact O-CA 3.41Å; I293-R300 HydrophobicContact CG2-CG 4.26Å; R300-I302 HydrophobicContact CG-CG1 4.29Å
301	F	96.2	Very high	93.8	Very high	69 Å²	69	69 Å²	69	30%	0.303	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145	169.6	-52.5	-75.1	0	0	0	108.5	E278 I279 Y280 S281 K299 L314	E278-F301 HydrophobicContact CB-CE2 4.09Å; E278-F301 HydrophobicContact CG-CE2 4.27Å; I279-F301 PolarHBondContact O-N 3.4Å; Y280-F301 HydrophobicContact CD1-CB 3.9Å; Y280-F301 HydrophobicContact CD1-CD2 4.16Å; Y280-F301 HydrophobicContact CD1-CG 4.38Å; Y280-F301 HydrophobicContact CE1-CB 4.03Å; Y280-F301 AromaticContact CE1-CD2 3.63Å; Y280-F301 HydrophobicContact CE1-CD2 3.63Å; Y280-F301 HydrophobicContact CE1-CE2 4.41Å; Y280-F301 HydrophobicContact CE1-CG 4.03Å; Y280-F301 HydrophobicContact CE2-CD2 4.03Å; Y280-F301 HydrophobicContact CE2-CE2 4.5Å; Y280-F301 AromaticContact CZ-CD2 3.55Å; Y280-F301 AromaticContact CZ-CE2 3.99Å; S281-F301 PolarHBondContact N-O 3.29Å; K299-F301 HydrophobicContact CB-CE2 4.4Å; F301-L314 HydrophobicContact CB-CD1 4.39Å
302	I	92.9	Very high	94.2	Very high	84 Å²	84	67.2 Å²	67.2	43%	0.431	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.3	-178.5	-58.5	177.6	0	0	0	108.2	S281 A283 R300	S281-I302 CarbonylContact O-C 3.57Å; S281-I302 VanDerWaalsContact O-CA 3.27Å; S281-I302 WeakPolarHBondContact O-CA 3.22Å; A283-I302 HydrophobicContact CB-CG2 3.87Å; R300-I302 HydrophobicContact CG-CG1 4.29Å
303	F	97.3	Very high	94.5	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	163.7	173.8	62.8	-86.9	0	0	0	111	S281 D282 A283 H310 L311 L314 V326 F328 L344	S281-F303 VanDerWaalsContact C-CD1 3.43Å; S281-F303 VanDerWaalsContact O-CD1 3.28Å; S281-F303 WeakPolarHBondContact O-CD1 3.28Å; S281-F303 PolarHBondContact O-N 2.67Å; D282-F303 HydrophobicContact CB-CE1 4.17Å; D282-F303 HydrophobicContact CB-CE2 3.82Å; D282-F303 HydrophobicContact CB-CZ 3.62Å; D282-F303 WeakPolarHBondContact OD2-CE2 3.03Å; A283-F303 WeakPolarHBondContact CB-O 3.38Å; A283-F303 PolarHBondContact N-O 2.81Å; F303-H310 WeakPolarHBondContact CA-ND1 3.37Å; F303-H310 HydrophobicContact CB-CB 4.47Å; F303-L311 HydrophobicContact CB-CB 4.22Å; F303-L311 HydrophobicContact CD1-CB 4.4Å; F303-L311 HydrophobicContact CD1-CD1 3.75Å; F303-L311 HydrophobicContact CD2-CB 4.15Å; F303-L311 HydrophobicContact CE1-CD1 3.91Å; F303-L311 HydrophobicContact CG-CB 4.05Å; F303-L311 HydrophobicContact CG-CD1 4.25Å; F303-L314 HydrophobicContact CB-CD1 4Å; F303-V326 HydrophobicContact CE1-CG1 3.81Å; F303-V326 HydrophobicContact CZ-CG1 4.04Å; F303-F328 HydrophobicContact CZ-CB 4.33Å; F303-L344 HydrophobicContact CE2-CD2 3.82Å; F303-L344 HydrophobicContact CZ-CD2 4.28Å
304	R	92.8	Very high	94.6	Very high	131 Å²	131	72.1 Å²	72.1	49%	0.494	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-71.9	147.6	180	-75.3	179.6	-61.6	-114.9	2.5	108.2	N306 D307 H310	R304-N306 PolarHBondContact O-N 3.15Å; R304-D307 HydrophobicContact CB-CB 3.64Å; R304-D307 IonicContact CZ-OD2 3.53Å; R304-D307 IonicContact NE-OD2 2.72Å; R304-D307 PolarHBondContact NE-OD2 3.18Å; R304-D307 IonicContact NH2-OD2 2.65Å; R304-D307 PolarHBondContact NH2-OD2 2.67Å; R304-D307 WeakPolarHBondContact O-CB 3.48Å; R304-D307 PolarHBondContact O-N 3.47Å; R304-H310 PolarHBondContact N-ND1 2.89Å; R304-H310 VanDerWaalsContact N-ND1 3.11Å
305	H	94	Very high	95.2	Very high	52 Å²	52	64.1 Å²	64.1	24%	0.241	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	123.8	-175.1	-174.8	47.2	0	0	0	111.2	D282 D307 H332 D335	D282-H305 IonicContact OD1-CE1 3.88Å; D282-H305 IonicContact OD1-CG 2.67Å; D282-H305 IonicContact OD1-ND1 2.64Å; D282-H305 PolarHBondContact OD1-ND1 3.35Å; D282-H305 WeakPolarHBondContact OD2-CA 3.41Å; D282-H305 IonicContact OD2-ND1 3.7Å; D282-H305 PolarHBondContact OD2-ND1 3.02Å; H305-D307 PolarHBondContact O-N 3.32Å; H305-H332 AromaticContact CE1-CG 3.96Å; H305-H332 AromaticContact NE2-ND1 3.77Å; H305-D335 IonicContact CD2-OD2 3.97Å; H305-D335 IonicContact NE2-OD2 2.94Å
306	N	93.3	Very high	95.6	Very high	20 Å²	20	65.6 Å²	65.6	11%	0.107	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	15.8	-176.2	-62.6	-45.5	0	0	0	116.2	D282 R304 S308 C339 P340	D282-N306 PolarHBondContact OD2-N 3.08Å; R304-N306 PolarHBondContact O-N 3.15Å; N306-S308 PolarHBondContact O-N 2.91Å; N306-C339 VanDerWaalsContact OD1-CA 3.24Å; N306-C339 WeakPolarHBondContact OD1-CA 3.13Å; N306-C339 WeakPolarHBondContact OD1-CB 3.49Å; N306-P340 HydrophobicContact CB-CG 4.41Å; N306-P340 VanDerWaalsContact O-CG 3.25Å; N306-P340 WeakPolarHBondContact O-CG 3.4Å
307	D	95.8	Very high	95.8	Very high	32 Å²	32	74.2 Å²	74.2	17%	0.171	32%	0.318	C	S	.	.			trans	-96	93.5	-176.3	-171.3	-15.2	0	0	0	112.7	R304 H305 R309 H310 L311	R304-D307 HydrophobicContact CB-CB 3.64Å; R304-D307 IonicContact CZ-OD2 3.53Å; R304-D307 IonicContact NE-OD2 2.72Å; R304-D307 PolarHBondContact NE-OD2 3.18Å; R304-D307 IonicContact NH2-OD2 2.65Å; R304-D307 PolarHBondContact NH2-OD2 2.67Å; R304-D307 WeakPolarHBondContact O-CB 3.48Å; R304-D307 PolarHBondContact O-N 3.47Å; H305-D307 PolarHBondContact O-N 3.32Å; D307-R309 PolarHBondContact O-N 3.05Å; D307-R309 WeakPolarHBondContact OD1-CA 3.37Å; D307-R309 WeakPolarHBondContact OD1-CB 3.06Å; D307-R309 PolarHBondContact OD1-N 2.87Å; D307-H310 HydrophobicContact CB-CB 4.14Å; D307-H310 PolarHBondContact O-N 3.19Å; D307-H310 PolarHBondContact OD1-N 2.93Å; D307-H310 WeakPolarHBondContact OD2-CB 3.45Å; D307-L311 PolarHBondContact O-N 3.31Å; D307-L311 VanDerWaalsContact O-N 3.08Å
308	S	97.1	Very high	96	Very high	24 Å²	24	64.5 Å²	64.5	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-21.7	175.3	57.5	0	0	0	0	114	N306 E312	N306-S308 PolarHBondContact O-N 2.91Å; S308-E312 WeakPolarHBondContact O-CB 3.37Å; S308-E312 PolarHBondContact O-N 2.95Å
309	R	98	Very high	96.2	Very high	197 Å²	197	67.2 Å²	67.2	74%	0.743	30%	0.296	S	S	*	.	H	α-helix	trans	-76.8	-44.3	176.6	-60.7	179.8	-179.5	170.1	1.4	111	D307 L311 E312 E313	D307-R309 PolarHBondContact O-N 3.05Å; D307-R309 WeakPolarHBondContact OD1-CA 3.37Å; D307-R309 WeakPolarHBondContact OD1-CB 3.06Å; D307-R309 PolarHBondContact OD1-N 2.87Å; R309-L311 VanDerWaalsContact C-N 3.28Å; R309-L311 PolarHBondContact O-N 3.04Å; R309-E312 PolarHBondContact O-N 3.3Å; R309-E313 WeakPolarHBondContact O-CG 3.42Å; R309-E313 PolarHBondContact O-N 2.89Å
310	H	97.4	Very high	96.2	Very high	36 Å²	36	67.5 Å²	67.5	17%	0.167	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-33.3	173.7	-169.8	-150.9	0	0	0	111.7	F303 R304 D307 E313 L314	F303-H310 WeakPolarHBondContact CA-ND1 3.37Å; F303-H310 HydrophobicContact CB-CB 4.47Å; R304-H310 PolarHBondContact N-ND1 2.89Å; R304-H310 VanDerWaalsContact N-ND1 3.11Å; D307-H310 HydrophobicContact CB-CB 4.14Å; D307-H310 PolarHBondContact O-N 3.19Å; D307-H310 PolarHBondContact OD1-N 2.93Å; D307-H310 WeakPolarHBondContact OD2-CB 3.45Å; H310-E313 IonicContact CD2-OE2 2.88Å; H310-E313 PolarHBondContact O-N 3.15Å; H310-L314 WeakPolarHBondContact O-CD1 3.44Å; H310-L314 VanDerWaalsContact O-CG 3.26Å; H310-L314 WeakPolarHBondContact O-CG 3.45Å; H310-L314 PolarHBondContact O-N 2.93Å; H310-L314 VanDerWaalsContact O-N 3.14Å
311	L	98.4	Very high	96.3	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-47.4	169.5	176.1	63.2	0	0	0	111.6	Y280 F303 D307 R309 L314 L315 V326 L344 V347	Y280-L311 HydrophobicContact CD1-CD1 4.21Å; Y280-L311 HydrophobicContact CG-CD1 4.3Å; F303-L311 HydrophobicContact CB-CB 4.22Å; F303-L311 HydrophobicContact CD1-CB 4.4Å; F303-L311 HydrophobicContact CD1-CD1 3.75Å; F303-L311 HydrophobicContact CD2-CB 4.15Å; F303-L311 HydrophobicContact CE1-CD1 3.91Å; F303-L311 HydrophobicContact CG-CB 4.05Å; F303-L311 HydrophobicContact CG-CD1 4.25Å; D307-L311 PolarHBondContact O-N 3.31Å; D307-L311 VanDerWaalsContact O-N 3.08Å; R309-L311 VanDerWaalsContact C-N 3.28Å; R309-L311 PolarHBondContact O-N 3.04Å; L311-L314 PolarHBondContact O-N 2.9Å; L311-L315 HydrophobicContact CD1-CD1 3.75Å; L311-L315 HydrophobicContact CD1-CG 4.1Å; L311-L315 HydrophobicContact CD2-CD1 4.43Å; L311-L315 HydrophobicContact CG-CD1 3.76Å; L311-L315 HydrophobicContact CG-CG 4.5Å; L311-L315 WeakPolarHBondContact O-CB 3.45Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 3.37Å; L311-V326 HydrophobicContact CD1-CG1 3.79Å; L311-V326 HydrophobicContact CD1-CG2 4.02Å; L311-V326 HydrophobicContact CD2-CG1 3.7Å; L311-V326 HydrophobicContact CD2-CG2 4.44Å; L311-V326 HydrophobicContact CG-CG1 4.41Å; L311-L344 HydrophobicContact CD2-CD2 3.71Å; L311-V347 HydrophobicContact CB-CG1 4.3Å; L311-V347 HydrophobicContact CD2-CB 4.36Å; L311-V347 HydrophobicContact CD2-CG1 3.83Å; L311-V347 HydrophobicContact CG-CG1 3.76Å
312	E	98.6	Very high	96.4	Very high	44 Å²	44	68.5 Å²	68.5	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-46.4	175.9	175.6	147.6	-133.9	0	0	112	S308 R309 L314 L315 Q316 V347 R350 Y351	S308-E312 WeakPolarHBondContact O-CB 3.37Å; S308-E312 PolarHBondContact O-N 2.95Å; R309-E312 PolarHBondContact O-N 3.3Å; E312-L314 PolarHBondContact O-N 3.18Å; E312-L314 VanDerWaalsContact O-N 3.14Å; E312-L315 PolarHBondContact O-N 3.02Å; E312-Q316 HydrophobicContact CG-CG 4.29Å; E312-Q316 VanDerWaalsContact CG-NE2 3.28Å; E312-Q316 WeakPolarHBondContact O-CB 3.34Å; E312-Q316 VanDerWaalsContact O-CG 3.24Å; E312-Q316 WeakPolarHBondContact O-CG 3.37Å; E312-Q316 PolarHBondContact O-N 3.29Å; E312-V347 HydrophobicContact CB-CG1 3.75Å; E312-V347 HydrophobicContact CB-CG2 4.25Å; E312-R350 IonicContact OE1-CZ 2.72Å; E312-R350 IonicContact OE1-NH1 3.72Å; E312-R350 PolarHBondContact OE1-NH1 3.42Å; E312-R350 IonicContact OE2-NH1 3.71Å; E312-R350 PolarHBondContact OE2-NH1 3.49Å; E312-Y351 HydrophobicContact CG-CE2 3.86Å; E312-Y351 WeakPolarHBondContact OE1-CE2 3.4Å; E312-Y351 PolarHBondContact OE1-OH 3Å
313	E	98.4	Very high	96.6	Very high	81 Å²	81	66 Å²	66	38%	0.379	31%	0.307	S	S	.	.	H	α-helix	trans	-55.4	-30.3	175.1	-75.7	174.6	-146.4	0	0	113.5	R309 H310 R317	R309-E313 WeakPolarHBondContact O-CG 3.42Å; R309-E313 PolarHBondContact O-N 2.89Å; H310-E313 IonicContact CD2-OE2 2.88Å; H310-E313 PolarHBondContact O-N 3.15Å; E313-R317 PolarHBondContact O-NE 3.01Å; E313-R317 PolarHBondContact O-NH2 3.23Å
314	L	96.6	Very high	96.7	Very high	25 Å²	25	66.1 Å²	66.1	13%	0.131	31%	0.307	C	S	.	.	H	α-helix	trans	-86.7	-42.5	178.6	-69.9	168.9	0	0	0	111.9	Y280 F301 F303 H310 L311 E312 Q316 R317	Y280-L314 HydrophobicContact CD1-CB 4.09Å; Y280-L314 HydrophobicContact CE1-CB 3.9Å; F301-L314 HydrophobicContact CB-CD1 4.39Å; F303-L314 HydrophobicContact CB-CD1 4Å; H310-L314 WeakPolarHBondContact O-CD1 3.44Å; H310-L314 VanDerWaalsContact O-CG 3.26Å; H310-L314 WeakPolarHBondContact O-CG 3.45Å; H310-L314 PolarHBondContact O-N 2.93Å; H310-L314 VanDerWaalsContact O-N 3.14Å; L311-L314 PolarHBondContact O-N 2.9Å; E312-L314 PolarHBondContact O-N 3.18Å; E312-L314 VanDerWaalsContact O-N 3.14Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; L314-Q316 PolarHBondContact O-N 2.84Å; L314-R317 PolarHBondContact O-N 3.28Å
315	L	98.3	Very high	97	Very high	1 Å²	1	60 Å²	60	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-35.1	179	-78.1	167.5	0	0	0	112.5	Y280 L311 E312 R317 S318 K324 V326 V347 Y351 A353	Y280-L315 HydrophobicContact CD1-CD2 3.98Å; Y280-L315 HydrophobicContact CD1-CG 4.04Å; Y280-L315 HydrophobicContact CD2-CD2 3.83Å; Y280-L315 HydrophobicContact CE1-CD2 3.77Å; Y280-L315 HydrophobicContact CE1-CG 3.95Å; Y280-L315 HydrophobicContact CE2-CD2 3.63Å; Y280-L315 HydrophobicContact CG-CD2 4.02Å; Y280-L315 HydrophobicContact CG-CG 4.43Å; L311-L315 HydrophobicContact CD1-CD1 3.75Å; L311-L315 HydrophobicContact CD1-CG 4.1Å; L311-L315 HydrophobicContact CD2-CD1 4.43Å; L311-L315 HydrophobicContact CG-CD1 3.76Å; L311-L315 HydrophobicContact CG-CG 4.5Å; L311-L315 WeakPolarHBondContact O-CB 3.45Å; L311-L315 WeakPolarHBondContact O-CG 3.13Å; L311-L315 PolarHBondContact O-N 3.37Å; E312-L315 PolarHBondContact O-N 3.02Å; L315-R317 PolarHBondContact O-N 3.19Å; L315-S318 PolarHBondContact O-N 3.18Å; L315-S318 VanDerWaalsContact O-N 3.15Å; L315-K324 HydrophobicContact CD2-CD 3.72Å; L315-V326 HydrophobicContact CD1-CG2 4.35Å; L315-V347 HydrophobicContact CD1-CG1 3.82Å; L315-Y351 HydrophobicContact CB-CD1 4.42Å; L315-Y351 HydrophobicContact CB-CD2 3.62Å; L315-Y351 HydrophobicContact CB-CE2 4.39Å; L315-Y351 HydrophobicContact CB-CG 3.66Å; L315-Y351 HydrophobicContact CD1-CD2 4Å; L315-Y351 HydrophobicContact CD1-CG 4.47Å; L315-Y351 HydrophobicContact CG-CD2 4.43Å; L315-A353 HydrophobicContact CD2-CB 4.32Å
316	Q	97.8	Very high	97.2	Very high	114 Å²	114	57.5 Å²	57.5	53%	0.533	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.9	175.2	-79	176.1	5.3	0	0	114.6	E312 L314 Y351	E312-Q316 HydrophobicContact CG-CG 4.29Å; E312-Q316 VanDerWaalsContact CG-NE2 3.28Å; E312-Q316 WeakPolarHBondContact O-CB 3.34Å; E312-Q316 VanDerWaalsContact O-CG 3.24Å; E312-Q316 WeakPolarHBondContact O-CG 3.37Å; E312-Q316 PolarHBondContact O-N 3.29Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; L314-Q316 PolarHBondContact O-N 2.84Å; Q316-Y351 HydrophobicContact CB-CE1 4.49Å; Q316-Y351 HydrophobicContact CG-CE1 3.68Å; Q316-Y351 HydrophobicContact CG-CE2 4.27Å; Q316-Y351 VanDerWaalsContact CG-CZ 3.46Å; Q316-Y351 WeakPolarHBondContact CG-OH 3.3Å; Q316-Y351 PolarHBondContact NE2-OH 3.12Å; Q316-Y351 VanDerWaalsContact NE2-OH 3.08Å
317	R	95.9	Very high	97.5	Very high	184 Å²	184	56.6 Å²	56.6	69%	0.694	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.4	-177	-51.9	179.8	-157.8	-170.8	5.9	113.6	E313 L314 L315	E313-R317 PolarHBondContact O-NE 3.01Å; E313-R317 PolarHBondContact O-NH2 3.23Å; L314-R317 PolarHBondContact O-N 3.28Å; L315-R317 PolarHBondContact O-N 3.19Å
318	S	96.4	Very high	97.6	Very high	20 Å²	20	55 Å²	55	14%	0.14	26%	0.26	C	S	.	.	S	Bend	trans	-109	152.2	-175.5	-177.2	0	0	0	0	112.1	E278 Y280 L315 P320 K324	E278-S318 VanDerWaalsContact OE2-CB 3.3Å; E278-S318 WeakPolarHBondContact OE2-CB 3.38Å; E278-S318 PolarHBondContact OE2-OG 3.36Å; Y280-S318 VanDerWaalsContact OH-CB 3.22Å; Y280-S318 WeakPolarHBondContact OH-CB 3.43Å; L315-S318 PolarHBondContact O-N 3.18Å; L315-S318 VanDerWaalsContact O-N 3.15Å; S318-P320 WeakPolarHBondContact O-CD 3.32Å; S318-K324 WeakPolarHBondContact OG-CE 3.3Å
319	D	96.3	Very high	97.7	Very high	80 Å²	80	54.3 Å²	54.3	43%	0.428	25%	0.253	S	S	.	.			trans	-66.9	126.5	175.4	-175.3	-21.6	0	0	0	109.3	K321 T322 K324	D319-K321 PolarHBondContact O-N 3.05Å; D319-K321 WeakPolarHBondContact OD1-CB 3.18Å; D319-K321 WeakPolarHBondContact OD1-CG 3.37Å; D319-K321 PolarHBondContact OD1-N 2.84Å; D319-T322 PolarHBondContact O-N 2.56Å; D319-K324 VanDerWaalsContact O-CE 3.29Å; D319-K324 WeakPolarHBondContact O-CE 3.35Å; D319-K324 PolarHBondContact O-NZ 2.89Å
320	P	94.3	Very high	97.7	Very high	100 Å²	100	44.9 Å²	44.9	65%	0.649	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	-27.6	171.8	-30.3	37.3	0	0	0	114.7	S318 K324	S318-P320 WeakPolarHBondContact O-CD 3.32Å; P320-K324 PolarHBondContact O-NZ 2.85Å
321	K	96.2	Very high	97.8	Very high	184 Å²	184	43.2 Å²	43.2	80%	0.8	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-22.4	178.9	-61.7	171.1	-176.5	168.5	0	114.6	D319	D319-K321 PolarHBondContact O-N 3.05Å; D319-K321 WeakPolarHBondContact OD1-CB 3.18Å; D319-K321 WeakPolarHBondContact OD1-CG 3.37Å; D319-K321 PolarHBondContact OD1-N 2.84Å
322	T	98	Very high	97.7	Very high	27 Å²	27	44.4 Å²	44.4	17%	0.166	22%	0.216	C	C	.	.	S	Bend	trans	-69.1	130.2	174.8	-60.1	0	0	0	0	108.6	E278 D319 K324	E278-T322 HydrophobicContact CG-CG2 3.7Å; D319-T322 PolarHBondContact O-N 2.56Å; T322-K324 VanDerWaalsContact O-CG 3.29Å; T322-K324 WeakPolarHBondContact O-CG 3.43Å; T322-K324 PolarHBondContact O-NZ 3.14Å
323	P	98.6	Very high	97.2	Very high	33 Å²	33	42.6 Å²	42.6	21%	0.214	21%	0.208	C	C	.	.			trans	-71.3	135.4	178.1	28.8	-33.3	0	0	0	110.3	L274 P275 C277 E278	L274-P323 HydrophobicContact CB-CB 4.26Å; L274-P323 HydrophobicContact CB-CG 4.05Å; L274-P323 HydrophobicContact CD1-CB 4.45Å; L274-P323 HydrophobicContact CD2-CB 4.3Å; P275-P323 HydrophobicContact CG-CG 4.35Å; P275-P323 VanDerWaalsContact O-CD 3.22Å; P275-P323 WeakPolarHBondContact O-CD 3.35Å; P275-P323 WeakPolarHBondContact O-CG 3.25Å; C277-P323 WeakPolarHBondContact CA-O 3.24Å; E278-P323 PolarHBondContact N-O 3.26Å
324	K	98.7	Very high	96.8	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.5	-173	-43.1	176.2	-167.7	67.1	0	110.9	E278 Y280 L315 S318 D319 P320 T322 Y351 A353 L354	E278-K324 CarbonylContact O-C 3.47Å; E278-K324 VanDerWaalsContact O-CA 3.22Å; E278-K324 WeakPolarHBondContact O-CA 3.31Å; Y280-K324 HydrophobicContact CD2-CB 4.28Å; Y280-K324 HydrophobicContact CE2-CB 4Å; Y280-K324 HydrophobicContact CE2-CD 3.96Å; Y280-K324 HydrophobicContact CE2-CG 4.15Å; L315-K324 HydrophobicContact CD2-CD 3.72Å; S318-K324 WeakPolarHBondContact OG-CE 3.3Å; D319-K324 VanDerWaalsContact O-CE 3.29Å; D319-K324 WeakPolarHBondContact O-CE 3.35Å; D319-K324 PolarHBondContact O-NZ 2.89Å; P320-K324 PolarHBondContact O-NZ 2.85Å; T322-K324 VanDerWaalsContact O-CG 3.29Å; T322-K324 WeakPolarHBondContact O-CG 3.43Å; T322-K324 PolarHBondContact O-NZ 3.14Å; K324-Y351 PolarHBondContact NZ-O 3.33Å; K324-A353 HydrophobicContact CB-CB 3.61Å; K324-A353 HydrophobicContact CD-CB 4.49Å; K324-A353 WeakPolarHBondContact O-CA 3.34Å; K324-L354 PolarHBondContact O-N 2.96Å
325	I	98.9	Very high	96.4	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.1	169.7	-50.8	177.6	0	0	0	108.9	L267 L270 L274 E278 I279 Y280 L354 F356	L267-I325 HydrophobicContact CD2-CG2 4.34Å; L270-I325 HydrophobicContact CB-CD1 3.72Å; L270-I325 HydrophobicContact CD1-CD1 4.28Å; L274-I325 HydrophobicContact CD1-CD1 4.25Å; E278-I325 PolarHBondContact O-N 2.81Å; I279-I325 WeakPolarHBondContact CA-O 3.45Å; I279-I325 HydrophobicContact CD1-CB 3.76Å; I279-I325 HydrophobicContact CD1-CD1 3.9Å; I279-I325 HydrophobicContact CD1-CG1 3.96Å; Y280-I325 PolarHBondContact N-O 2.93Å; I325-L354 CarbonylContact C-O 3.59Å; I325-L354 VanDerWaalsContact CA-O 3.32Å; I325-L354 WeakPolarHBondContact CA-O 3.24Å; I325-F356 HydrophobicContact CG2-CB 3.73Å
326	V	98.9	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.2	166.9	-172	0	0	0	0	108.3	Y280 F303 L311 L315 F328 A348 A353 L354 F356	Y280-V326 CarbonylContact O-C 3.49Å; Y280-V326 WeakPolarHBondContact O-CA 3.39Å; F303-V326 HydrophobicContact CE1-CG1 3.81Å; F303-V326 HydrophobicContact CZ-CG1 4.04Å; L311-V326 HydrophobicContact CD1-CG1 3.79Å; L311-V326 HydrophobicContact CD1-CG2 4.02Å; L311-V326 HydrophobicContact CD2-CG1 3.7Å; L311-V326 HydrophobicContact CD2-CG2 4.44Å; L311-V326 HydrophobicContact CG-CG1 4.41Å; L315-V326 HydrophobicContact CD1-CG2 4.35Å; V326-F328 HydrophobicContact CG1-CD1 3.98Å; V326-F328 HydrophobicContact CG1-CE1 4.17Å; V326-A348 HydrophobicContact CB-CB 4.06Å; V326-A348 HydrophobicContact CG2-CB 3.54Å; V326-A353 HydrophobicContact CG2-CB 3.75Å; V326-L354 PolarHBondContact N-O 3.42Å; V326-F356 PolarHBondContact O-N 3.31Å
327	A	98.9	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.9	-175.9	0	0	0	0	0	111.8	L267 Y280 D282 N285 I293 F356	L267-A327 HydrophobicContact CD2-CB 4.27Å; Y280-A327 PolarHBondContact O-N 2.83Å; D282-A327 PolarHBondContact N-O 2.97Å; N285-A327 PolarHBondContact ND2-O 2.89Å; I293-A327 HydrophobicContact CD1-CB 4.3Å; A327-F356 VanDerWaalsContact CA-O 3.31Å; A327-F356 WeakPolarHBondContact CA-O 3.31Å; A327-F356 HydrophobicContact CB-CB 4.34Å; A327-F356 HydrophobicContact CB-CD1 4.43Å
328	F	98.8	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159.6	-179	58.8	-81.9	0	0	0	113.6	D282 N285 F303 V326 C339 L341 L344 F356 V357 D358	D282-F328 HydrophobicContact CB-CB 3.97Å; N285-F328 VanDerWaalsContact OD1-CA 3.27Å; N285-F328 WeakPolarHBondContact OD1-CA 3.44Å; F303-F328 HydrophobicContact CZ-CB 4.33Å; V326-F328 HydrophobicContact CG1-CD1 3.98Å; V326-F328 HydrophobicContact CG1-CE1 4.17Å; F328-C339 HydrophobicContact CD2-CB 4.3Å; F328-L341 HydrophobicContact CE2-CD1 3.62Å; F328-L341 HydrophobicContact CZ-CD1 3.91Å; F328-L344 HydrophobicContact CD2-CD1 3.76Å; F328-L344 HydrophobicContact CE1-CB 4.05Å; F328-L344 HydrophobicContact CE2-CB 4.05Å; F328-L344 HydrophobicContact CE2-CD1 3.75Å; F328-L344 HydrophobicContact CG-CD1 4.21Å; F328-L344 HydrophobicContact CZ-CB 3.67Å; F328-L344 HydrophobicContact CZ-CD1 4.2Å; F328-F356 PolarHBondContact N-O 2.8Å; F328-F356 VanDerWaalsContact N-O 3.14Å; F328-V357 HydrophobicContact CD1-CG2 4.45Å; F328-V357 HydrophobicContact CE1-CG2 3.83Å; F328-V357 HydrophobicContact CE2-CG1 4.16Å; F328-V357 HydrophobicContact CE2-CG2 4Å; F328-V357 HydrophobicContact CZ-CG2 3.58Å; F328-V357 WeakPolarHBondContact O-CA 3.17Å; F328-D358 PolarHBondContact O-N 2.8Å
329	E	98.7	Very high	95.7	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.1	169.3	-89.8	161.4	-104.1	0	0	111.4	H286 M289 H332 S333 D358	H286-E329 WeakPolarHBondContact CB-OE1 3.26Å; H286-E329 PolarHBondContact N-OE1 3.11Å; M289-E329 HydrophobicContact CE-CG 3.82Å; E329-H332 IonicContact OE1-CD2 3.2Å; E329-H332 WeakPolarHBondContact OE2-CA 3.38Å; E329-H332 IonicContact OE2-CD2 2.65Å; E329-H332 PolarHBondContact OE2-CD2 2.89Å; E329-S333 WeakPolarHBondContact OE2-CB 3.41Å; E329-S333 PolarHBondContact OE2-N 2.65Å; E329-D358 WeakPolarHBondContact CA-O 3.45Å; E329-D358 HydrophobicContact CG-CB 3.85Å
330	T	98.5	Very high	95.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-79.6	-42.3	172.5	62.8	0	0	0	0	112.9	I338 C339 L341 V357 D358 E359 A362 V373	T330-I338 CarbonylContact O-C 3.56Å; T330-I338 VanDerWaalsContact O-CA 3.23Å; T330-I338 WeakPolarHBondContact O-CA 3.35Å; T330-I338 WeakPolarHBondContact O-CG2 3.27Å; T330-C339 PolarHBondContact O-N 2.88Å; T330-L341 HydrophobicContact CG2-CD1 4.35Å; T330-V357 HydrophobicContact CG2-CG1 3.21Å; T330-D358 PolarHBondContact N-O 3.47Å; T330-E359 WeakPolarHBondContact CB-OE2 3.47Å; T330-E359 VanDerWaalsContact CG2-CD 3.44Å; T330-E359 HydrophobicContact CG2-CG 3.78Å; T330-E359 VanDerWaalsContact CG2-OE2 3.27Å; T330-E359 WeakPolarHBondContact CG2-OE2 3.45Å; T330-E359 PolarHBondContact OG1-OE2 2.85Å; T330-A362 WeakPolarHBondContact OG1-CB 3.4Å; T330-V373 HydrophobicContact CG2-CB 4.21Å
331	V	98.4	Very high	95.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-122	102.4	175.8	178.7	0	0	0	0	105.9	S333 A337 I338 H361 A362 Y366 V373 I476	V331-S333 PolarHBondContact O-N 2.85Å; V331-A337 WeakPolarHBondContact CA-O 3.3Å; V331-I338 HydrophobicContact CG2-CD1 4.37Å; V331-I338 HydrophobicContact CG2-CG1 4.11Å; V331-H361 HydrophobicContact CB-CB 3.79Å; V331-H361 HydrophobicContact CG1-CB 3.83Å; V331-H361 VanDerWaalsContact O-CB 3.31Å; V331-H361 WeakPolarHBondContact O-CB 3.37Å; V331-A362 HydrophobicContact CG2-CB 3.8Å; V331-Y366 HydrophobicContact CG2-CD2 4.29Å; V331-Y366 HydrophobicContact CG2-CE2 3.61Å; V331-V373 HydrophobicContact CG2-CG2 3.71Å; V331-I476 HydrophobicContact CG1-CD1 4.15Å
332	H	95.7	Very high	96	Very high	24 Å²	24	15.1 Å²	15.1	11%	0.111	8%	0.081	C	C	.	.			trans	-67.1	132.7	-172.5	172.5	-133.1	0	0	0	111	G284 H305 E329 M334 D335 G336 A337 I476	G284-H332 PolarHBondContact O-NE2 2.85Å; H305-H332 AromaticContact CE1-CG 3.96Å; H305-H332 AromaticContact NE2-ND1 3.77Å; E329-H332 IonicContact OE1-CD2 3.2Å; E329-H332 WeakPolarHBondContact OE2-CA 3.38Å; E329-H332 IonicContact OE2-CD2 2.65Å; E329-H332 PolarHBondContact OE2-CD2 2.89Å; H332-M334 VanDerWaalsContact C-N 3.28Å; H332-M334 PolarHBondContact O-N 3.37Å; H332-M334 VanDerWaalsContact O-N 3.12Å; H332-D335 IonicContact CE1-OD1 3.64Å; H332-D335 IonicContact CE1-OD2 2.68Å; H332-D335 PolarHBondContact CE1-OD2 3.25Å; H332-D335 IonicContact CG-OD1 3.81Å; H332-D335 IonicContact ND1-OD1 2.8Å; H332-D335 PolarHBondContact ND1-OD1 3.36Å; H332-D335 IonicContact ND1-OD2 3.65Å; H332-D335 PolarHBondContact ND1-OD2 2.92Å; H332-G336 PolarHBondContact O-N 2.94Å; H332-A337 PolarHBondContact N-O 3.44Å; H332-A337 VanDerWaalsContact N-O 3.09Å; H332-I476 WeakPolarHBondContact O-CD1 3.28Å
333	S	88.4	Confident	96.1	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.042	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.4	-166.5	67.1	0	0	0	0	116.3	E329 V331 H361 R518	E329-S333 WeakPolarHBondContact OE2-CB 3.41Å; E329-S333 PolarHBondContact OE2-N 2.65Å; V331-S333 PolarHBondContact O-N 2.85Å; S333-H361 WeakPolarHBondContact CB-NE2 3.37Å; S333-R518 VanDerWaalsContact O-CZ 3.32Å; S333-R518 PolarHBondContact O-NE 2.85Å; S333-R518 PolarHBondContact O-NH2 2.87Å
334	M	90.3	Very high	96.1	Very high	31 Å²	31	16 Å²	16	15%	0.153	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-47.5	-171.2	-66.7	-57.8	131.4	0	0	115.5	H332 P478 I505 T509 V510	H332-M334 VanDerWaalsContact C-N 3.28Å; H332-M334 PolarHBondContact O-N 3.37Å; H332-M334 VanDerWaalsContact O-N 3.12Å; M334-P478 WeakPolarHBondContact O-CG 3.48Å; M334-I505 HydrophobicContact SD-CG2 3.95Å; M334-T509 HydrophobicContact CE-CG2 3.86Å; M334-T509 HydrophobicContact CG-CG2 4.19Å; M334-T509 HydrophobicContact SD-CG2 3.66Å; M334-V510 HydrophobicContact CB-CG1 3.99Å; M334-V510 HydrophobicContact CG-CG1 4.02Å
335	D	88.4	Confident	96.1	Very high	28 Å²	28	15.9 Å²	15.9	15%	0.15	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.6	-176.9	62.1	26.2	0	0	0	114.3	H305 H332 A337 C472 P478 F558	H305-D335 IonicContact CD2-OD2 3.97Å; H305-D335 IonicContact NE2-OD2 2.94Å; H332-D335 IonicContact CE1-OD1 3.64Å; H332-D335 IonicContact CE1-OD2 2.68Å; H332-D335 PolarHBondContact CE1-OD2 3.25Å; H332-D335 IonicContact CG-OD1 3.81Å; H332-D335 IonicContact ND1-OD1 2.8Å; H332-D335 PolarHBondContact ND1-OD1 3.36Å; H332-D335 IonicContact ND1-OD2 3.65Å; H332-D335 PolarHBondContact ND1-OD2 2.92Å; D335-A337 VanDerWaalsContact C-N 3.27Å; D335-A337 PolarHBondContact O-N 2.97Å; D335-A337 VanDerWaalsContact OD1-CB 3.25Å; D335-A337 WeakPolarHBondContact OD1-CB 3.22Å; D335-A337 PolarHBondContact OD1-N 3.23Å; D335-C472 VanDerWaalsContact O-CB 3.32Å; D335-C472 WeakPolarHBondContact O-CB 3.04Å; D335-C472 PolarHBondContact O-SG 2.91Å; D335-P478 VanDerWaalsContact C-CG 3.48Å; D335-P478 WeakPolarHBondContact O-CG 3.41Å; D335-F558 HydrophobicContact CB-CE1 4.34Å; D335-F558 HydrophobicContact CB-CE2 4.22Å; D335-F558 HydrophobicContact CB-CZ 3.59Å
336	G	89.6	Confident	96.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.			trans	71.1	16.2	178.7	0	0	0	0	0	115.1	H332 C472 S474	H332-G336 PolarHBondContact O-N 2.94Å; G336-C472 WeakPolarHBondContact O-CB 3.04Å; G336-S474 VanDerWaalsContact C-OG 3.29Å; G336-S474 WeakPolarHBondContact CA-OG 3.11Å; G336-S474 WeakPolarHBondContact O-CB 3.42Å; G336-S474 PolarHBondContact O-N 2.94Å; G336-S474 PolarHBondContact O-OG 2.87Å
337	A	91.4	Very high	96.1	Very high	1 Å²	1	19 Å²	19	1%	0.008	10%	0.097	C	C	.	.			trans	-58.9	157.6	167.8	0	0	0	0	0	111.5	V331 H332 D335 F558	V331-A337 WeakPolarHBondContact CA-O 3.3Å; H332-A337 PolarHBondContact N-O 3.44Å; H332-A337 VanDerWaalsContact N-O 3.09Å; D335-A337 VanDerWaalsContact C-N 3.27Å; D335-A337 PolarHBondContact O-N 2.97Å; D335-A337 VanDerWaalsContact OD1-CB 3.25Å; D335-A337 WeakPolarHBondContact OD1-CB 3.22Å; D335-A337 PolarHBondContact OD1-N 3.23Å; A337-F558 HydrophobicContact CB-CB 4.38Å; A337-F558 HydrophobicContact CB-CD1 4.05Å; A337-F558 HydrophobicContact CB-CD2 4.01Å; A337-F558 HydrophobicContact CB-CE1 4.41Å; A337-F558 HydrophobicContact CB-CE2 4.36Å; A337-F558 HydrophobicContact CB-CG 3.85Å
338	I	96.6	Very high	96.1	Very high	27 Å²	27	19 Å²	19	14%	0.138	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-124.6	129.1	167.1	-61.1	-178.2	0	0	0	107.7	T330 V331 Y366 V373 P473	T330-I338 CarbonylContact O-C 3.56Å; T330-I338 VanDerWaalsContact O-CA 3.23Å; T330-I338 WeakPolarHBondContact O-CA 3.35Å; T330-I338 WeakPolarHBondContact O-CG2 3.27Å; V331-I338 HydrophobicContact CG2-CD1 4.37Å; V331-I338 HydrophobicContact CG2-CG1 4.11Å; I338-Y366 HydrophobicContact CD1-CE1 4.2Å; I338-V373 HydrophobicContact CG2-CG1 4.11Å; I338-V373 HydrophobicContact CG2-CG2 4.21Å; I338-P473 HydrophobicContact CB-CG 4.05Å; I338-P473 HydrophobicContact CD1-CG 4.24Å; I338-P473 HydrophobicContact CG1-CG 3.96Å
339	C	96	Very high	96	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.041	11%	0.113	C	C	.	.			trans	-69.1	152.4	-173.8	79.1	0	0	0	0	112.6	N306 F328 T330 L341 L344	N306-C339 VanDerWaalsContact OD1-CA 3.24Å; N306-C339 WeakPolarHBondContact OD1-CA 3.13Å; N306-C339 WeakPolarHBondContact OD1-CB 3.49Å; F328-C339 HydrophobicContact CD2-CB 4.3Å; T330-C339 PolarHBondContact O-N 2.88Å; C339-L341 PolarHBondContact O-N 2.87Å; C339-L344 HydrophobicContact CB-CD1 3.86Å
340	P	96.9	Very high	96	Very high	29 Å²	29	28.9 Å²	28.9	19%	0.188	14%	0.137	C	C	.	.			trans	-73.1	76.1	165.3	30.8	-32.6	0	0	0	109.3	N306 E342 E343 L344	N306-P340 HydrophobicContact CB-CG 4.41Å; N306-P340 VanDerWaalsContact O-CG 3.25Å; N306-P340 WeakPolarHBondContact O-CG 3.4Å; P340-E342 PolarHBondContact O-N 3.47Å; P340-E343 VanDerWaalsContact C-OE2 3.3Å; P340-E343 WeakPolarHBondContact CA-OE2 3.18Å; P340-E343 HydrophobicContact CB-CB 4.24Å; P340-E343 HydrophobicContact CB-CG 4.42Å; P340-E343 VanDerWaalsContact CB-OE2 3.3Å; P340-E343 WeakPolarHBondContact CB-OE2 3.46Å; P340-E343 PolarHBondContact O-N 3.11Å; P340-L344 HydrophobicContact CG-CD1 4.12Å; P340-L344 HydrophobicContact CG-CG 4.2Å; P340-L344 WeakPolarHBondContact O-CB 3.22Å; P340-L344 VanDerWaalsContact O-CG 3.31Å; P340-L344 WeakPolarHBondContact O-CG 3.39Å; P340-L344 PolarHBondContact O-N 3.36Å
341	L	98.3	Very high	96	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-42	-168.2	177.8	60.6	0	0	0	112.6	F328 T330 C339 C345 V357 V373 I379 I383	F328-L341 HydrophobicContact CE2-CD1 3.62Å; F328-L341 HydrophobicContact CZ-CD1 3.91Å; T330-L341 HydrophobicContact CG2-CD1 4.35Å; C339-L341 PolarHBondContact O-N 2.87Å; L341-C345 WeakPolarHBondContact O-CB 3.36Å; L341-C345 PolarHBondContact O-N 2.93Å; L341-C345 PolarHBondContact O-SG 3.45Å; L341-V357 HydrophobicContact CD1-CG1 4.12Å; L341-V373 HydrophobicContact CD2-CB 4.33Å; L341-V373 HydrophobicContact CD2-CG1 3.9Å; L341-I379 HydrophobicContact CB-CD1 4.07Å; L341-I379 HydrophobicContact CD2-CD1 3.89Å; L341-I379 HydrophobicContact CD2-CG1 4.04Å; L341-I379 HydrophobicContact CG-CD1 3.71Å; L341-I379 HydrophobicContact CG-CG1 4.31Å; L341-I383 HydrophobicContact CD1-CD1 4.38Å; L341-I383 HydrophobicContact CD1-CG1 4.32Å; L341-I383 HydrophobicContact CD2-CD1 4.3Å
342	E	98.6	Very high	96	Very high	88 Å²	88	33.6 Å²	33.6	41%	0.411	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-47.8	178.6	-175.7	146.9	-126.1	0	0	111	P340 L344 C345 D346 I379 K382	P340-E342 PolarHBondContact O-N 3.47Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-L344 PolarHBondContact O-N 3.35Å; E342-C345 PolarHBondContact O-N 3.5Å; E342-D346 WeakPolarHBondContact O-CB 3.48Å; E342-D346 PolarHBondContact O-N 3.36Å; E342-I379 HydrophobicContact CB-CD1 3.69Å; E342-I379 HydrophobicContact CG-CD1 4.47Å; E342-K382 IonicContact OE1-NZ 2.73Å; E342-K382 PolarHBondContact OE1-NZ 3.47Å
343	E	98.6	Very high	96.2	Very high	79 Å²	79	32.6 Å²	32.6	37%	0.369	17%	0.167	S	C	.	.	H	α-helix	trans	-66.3	-35.6	-178.2	-55.3	96.7	131.3	0	0	112.3	P340 V347 R561	P340-E343 VanDerWaalsContact C-OE2 3.3Å; P340-E343 WeakPolarHBondContact CA-OE2 3.18Å; P340-E343 HydrophobicContact CB-CB 4.24Å; P340-E343 HydrophobicContact CB-CG 4.42Å; P340-E343 VanDerWaalsContact CB-OE2 3.3Å; P340-E343 WeakPolarHBondContact CB-OE2 3.46Å; P340-E343 PolarHBondContact O-N 3.11Å; E343-V347 WeakPolarHBondContact O-CB 3.41Å; E343-V347 VanDerWaalsContact O-CG2 3.25Å; E343-V347 WeakPolarHBondContact O-CG2 3.4Å; E343-V347 PolarHBondContact O-N 3.25Å; E343-R561 IonicContact OE1-NH2 3.26Å
344	L	98.7	Very high	96.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.3	-43.7	174.9	-72.4	167.1	0	0	0	112.2	F303 L311 F328 C339 P340 E342 A348	F303-L344 HydrophobicContact CE2-CD2 3.82Å; F303-L344 HydrophobicContact CZ-CD2 4.28Å; L311-L344 HydrophobicContact CD2-CD2 3.71Å; F328-L344 HydrophobicContact CD2-CD1 3.76Å; F328-L344 HydrophobicContact CE1-CB 4.05Å; F328-L344 HydrophobicContact CE2-CB 4.05Å; F328-L344 HydrophobicContact CE2-CD1 3.75Å; F328-L344 HydrophobicContact CG-CD1 4.21Å; F328-L344 HydrophobicContact CZ-CB 3.67Å; F328-L344 HydrophobicContact CZ-CD1 4.2Å; C339-L344 HydrophobicContact CB-CD1 3.86Å; P340-L344 HydrophobicContact CG-CD1 4.12Å; P340-L344 HydrophobicContact CG-CG 4.2Å; P340-L344 WeakPolarHBondContact O-CB 3.22Å; P340-L344 VanDerWaalsContact O-CG 3.31Å; P340-L344 WeakPolarHBondContact O-CG 3.39Å; P340-L344 PolarHBondContact O-N 3.36Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-L344 PolarHBondContact O-N 3.35Å; L344-A348 WeakPolarHBondContact O-CB 3.31Å; L344-A348 PolarHBondContact O-N 3Å
345	C	98.9	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-47.5	175.6	-79.4	0	0	0	0	112.3	L341 E342 V347 A348 H349 T355 K382	L341-C345 WeakPolarHBondContact O-CB 3.36Å; L341-C345 PolarHBondContact O-N 2.93Å; L341-C345 PolarHBondContact O-SG 3.45Å; E342-C345 PolarHBondContact O-N 3.5Å; C345-V347 VanDerWaalsContact C-N 3.3Å; C345-V347 PolarHBondContact O-N 3.41Å; C345-A348 WeakPolarHBondContact O-CB 3.28Å; C345-A348 PolarHBondContact O-N 3.47Å; C345-A348 VanDerWaalsContact O-N 3.13Å; C345-H349 WeakPolarHBondContact O-CB 3.17Å; C345-H349 PolarHBondContact O-N 3.17Å; C345-T355 HydrophobicContact CB-CG2 4.43Å; C345-K382 HydrophobicContact CB-CB 3.81Å; C345-K382 HydrophobicContact CB-CD 4.3Å; C345-K382 PolarHBondContact SG-O 2.84Å
346	D	98.8	Very high	97.6	Very high	61 Å²	61	32.5 Å²	32.5	33%	0.326	17%	0.166	S	C	.	.	H	α-helix	trans	-66.9	-32	-177.4	-76.1	-6.8	0	0	0	112.3	E342 R350 K382	E342-D346 WeakPolarHBondContact O-CB 3.48Å; E342-D346 PolarHBondContact O-N 3.36Å; D346-R350 WeakPolarHBondContact O-CB 3.45Å; D346-R350 PolarHBondContact O-N 2.87Å; D346-R350 VanDerWaalsContact O-N 3.16Å; D346-K382 WeakPolarHBondContact OD1-CD 3.35Å; D346-K382 WeakPolarHBondContact OD1-CE 3.37Å; D346-K382 IonicContact OD1-NZ 2.71Å; D346-K382 PolarHBondContact OD1-NZ 3.05Å; D346-K382 IonicContact OD2-NZ 3.14Å; D346-K382 PolarHBondContact OD2-NZ 2.72Å
347	V	98.8	Very high	98	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.048	17%	0.166	C	C	.	.	H	α-helix	trans	-69.2	-46.1	169.5	165.4	0	0	0	0	111.1	L311 E312 L315 E343 C345 H349 R350 Y351	L311-V347 HydrophobicContact CB-CG1 4.3Å; L311-V347 HydrophobicContact CD2-CB 4.36Å; L311-V347 HydrophobicContact CD2-CG1 3.83Å; L311-V347 HydrophobicContact CG-CG1 3.76Å; E312-V347 HydrophobicContact CB-CG1 3.75Å; E312-V347 HydrophobicContact CB-CG2 4.25Å; L315-V347 HydrophobicContact CD1-CG1 3.82Å; E343-V347 WeakPolarHBondContact O-CB 3.41Å; E343-V347 VanDerWaalsContact O-CG2 3.25Å; E343-V347 WeakPolarHBondContact O-CG2 3.4Å; E343-V347 PolarHBondContact O-N 3.25Å; C345-V347 VanDerWaalsContact C-N 3.3Å; C345-V347 PolarHBondContact O-N 3.41Å; V347-H349 PolarHBondContact O-N 3.15Å; V347-R350 PolarHBondContact O-N 3.36Å; V347-Y351 WeakPolarHBondContact O-CD2 3.26Å
348	A	98.8	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-49.9	178.2	0	0	0	0	0	112.1	V326 L344 C345 R350 Y351 G352 A353 T355	V326-A348 HydrophobicContact CB-CB 4.06Å; V326-A348 HydrophobicContact CG2-CB 3.54Å; L344-A348 WeakPolarHBondContact O-CB 3.31Å; L344-A348 PolarHBondContact O-N 3Å; C345-A348 WeakPolarHBondContact O-CB 3.28Å; C345-A348 PolarHBondContact O-N 3.47Å; C345-A348 VanDerWaalsContact O-N 3.13Å; A348-R350 PolarHBondContact O-N 3.44Å; A348-Y351 PolarHBondContact O-N 3.09Å; A348-G352 PolarHBondContact O-N 3.4Å; A348-A353 HydrophobicContact CB-CB 4.26Å; A348-A353 WeakPolarHBondContact O-CB 3.3Å; A348-A353 PolarHBondContact O-N 2.86Å; A348-T355 HydrophobicContact CB-CG2 3.53Å
349	H	98.8	Very high	98.5	Very high	72 Å²	72	31.5 Å²	31.5	33%	0.333	16%	0.161	S	C	.	.	H	α-helix	trans	-66.6	-36.3	-179	-69.2	171.9	0	0	0	112.8	C345 V347 Y351 G352 A353 K382 D384	C345-H349 WeakPolarHBondContact O-CB 3.17Å; C345-H349 PolarHBondContact O-N 3.17Å; V347-H349 PolarHBondContact O-N 3.15Å; H349-Y351 PolarHBondContact O-N 2.94Å; H349-G352 PolarHBondContact O-N 2.88Å; H349-G352 VanDerWaalsContact O-N 3.08Å; H349-A353 PolarHBondContact CD2-O 2.72Å; H349-K382 PolarHBondContact CE1-O 3.16Å; H349-D384 IonicContact CD2-OD2 3.88Å; H349-D384 IonicContact CE1-OD2 2.64Å; H349-D384 IonicContact NE2-OD1 3.38Å; H349-D384 IonicContact NE2-OD2 2.79Å; H349-D384 PolarHBondContact NE2-OD2 2.68Å
350	R	98.5	Very high	98.6	Very high	143 Å²	143	31.7 Å²	31.7	54%	0.54	16%	0.162	S	C	.	.	H	α-helix	trans	-56.1	-31.1	175.7	-175.4	-176	-54	164.3	7	113.5	E312 D346 V347 A348	E312-R350 IonicContact OE1-CZ 2.72Å; E312-R350 IonicContact OE1-NH1 3.72Å; E312-R350 PolarHBondContact OE1-NH1 3.42Å; E312-R350 IonicContact OE2-NH1 3.71Å; E312-R350 PolarHBondContact OE2-NH1 3.49Å; D346-R350 WeakPolarHBondContact O-CB 3.45Å; D346-R350 PolarHBondContact O-N 2.87Å; D346-R350 VanDerWaalsContact O-N 3.16Å; V347-R350 PolarHBondContact O-N 3.36Å; A348-R350 PolarHBondContact O-N 3.44Å
351	Y	98.4	Very high	98.7	Very high	50 Å²	50	30.6 Å²	30.6	20%	0.196	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	15.1	179.6	-62.8	-75.2	0	0	0	114	E312 L315 Q316 K324 V347 A348 H349	E312-Y351 HydrophobicContact CG-CE2 3.86Å; E312-Y351 WeakPolarHBondContact OE1-CE2 3.4Å; E312-Y351 PolarHBondContact OE1-OH 3Å; L315-Y351 HydrophobicContact CB-CD1 4.42Å; L315-Y351 HydrophobicContact CB-CD2 3.62Å; L315-Y351 HydrophobicContact CB-CE2 4.39Å; L315-Y351 HydrophobicContact CB-CG 3.66Å; L315-Y351 HydrophobicContact CD1-CD2 4Å; L315-Y351 HydrophobicContact CD1-CG 4.47Å; L315-Y351 HydrophobicContact CG-CD2 4.43Å; Q316-Y351 HydrophobicContact CB-CE1 4.49Å; Q316-Y351 HydrophobicContact CG-CE1 3.68Å; Q316-Y351 HydrophobicContact CG-CE2 4.27Å; Q316-Y351 VanDerWaalsContact CG-CZ 3.46Å; Q316-Y351 WeakPolarHBondContact CG-OH 3.3Å; Q316-Y351 PolarHBondContact NE2-OH 3.12Å; Q316-Y351 VanDerWaalsContact NE2-OH 3.08Å; K324-Y351 PolarHBondContact NZ-O 3.33Å; V347-Y351 WeakPolarHBondContact O-CD2 3.26Å; A348-Y351 PolarHBondContact O-N 3.09Å; H349-Y351 PolarHBondContact O-N 2.94Å
352	G	98.1	Very high	98.7	Very high	50 Å²	50	30.5 Å²	30.5	52%	0.515	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	28.9	175.1	0	0	0	0	0	114.3	A348 H349	A348-G352 PolarHBondContact O-N 3.4Å; H349-G352 PolarHBondContact O-N 2.88Å; H349-G352 VanDerWaalsContact O-N 3.08Å
353	A	98.8	Very high	98.7	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.8	175.5	0	0	0	0	0	111.8	L315 K324 V326 A348 H349	L315-A353 HydrophobicContact CD2-CB 4.32Å; K324-A353 HydrophobicContact CB-CB 3.61Å; K324-A353 HydrophobicContact CD-CB 4.49Å; K324-A353 WeakPolarHBondContact O-CA 3.34Å; V326-A353 HydrophobicContact CG2-CB 3.75Å; A348-A353 HydrophobicContact CB-CB 4.26Å; A348-A353 WeakPolarHBondContact O-CB 3.3Å; A348-A353 PolarHBondContact O-N 2.86Å; H349-A353 PolarHBondContact CD2-O 2.72Å
354	L	98.9	Very high	98.7	Very high	61 Å²	61	22.6 Å²	22.6	32%	0.319	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	147.1	165.8	-63	176.5	0	0	0	110.2	K324 I325 V326 D384 L407	K324-L354 PolarHBondContact O-N 2.96Å; I325-L354 CarbonylContact C-O 3.59Å; I325-L354 VanDerWaalsContact CA-O 3.32Å; I325-L354 WeakPolarHBondContact CA-O 3.24Å; V326-L354 PolarHBondContact N-O 3.42Å; L354-D384 HydrophobicContact CB-CB 4.37Å; L354-D384 HydrophobicContact CD2-CB 4.14Å; L354-L407 HydrophobicContact CD1-CD1 4.42Å
355	T	98.9	Very high	98.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.8	173.6	56.2	0	0	0	0	110.9	C345 A348 K382 I383 D384 V385	C345-T355 HydrophobicContact CB-CG2 4.43Å; A348-T355 HydrophobicContact CB-CG2 3.53Å; T355-K382 PolarHBondContact OG1-O 3.04Å; T355-I383 WeakPolarHBondContact OG1-CA 3.3Å; T355-D384 PolarHBondContact N-OD2 2.8Å; T355-D384 PolarHBondContact OG1-N 3.18Å; T355-D384 PolarHBondContact OG1-OD2 3.39Å; T355-V385 PolarHBondContact O-N 3.5Å
356	F	98.9	Very high	98.7	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109	167.9	-175.6	-81.5	0	0	0	108.1	N263 T266 L267 M289 I325 V326 A327 F328 V385	N263-F356 HydrophobicContact CB-CZ 4.42Å; T266-F356 HydrophobicContact CG2-CD2 4.34Å; T266-F356 HydrophobicContact CG2-CE2 3.75Å; L267-F356 HydrophobicContact CD1-CD1 3.93Å; L267-F356 HydrophobicContact CD1-CE1 3.77Å; L267-F356 HydrophobicContact CD1-CG 4.47Å; L267-F356 HydrophobicContact CD1-CZ 4.15Å; L267-F356 HydrophobicContact CD2-CB 4.11Å; L267-F356 HydrophobicContact CD2-CD1 4Å; L267-F356 HydrophobicContact CD2-CD2 4.01Å; L267-F356 HydrophobicContact CD2-CE1 4.5Å; L267-F356 HydrophobicContact CD2-CE2 4.5Å; L267-F356 HydrophobicContact CD2-CG 3.74Å; L267-F356 HydrophobicContact CG-CD1 4.1Å; L267-F356 HydrophobicContact CG-CD2 4.14Å; L267-F356 HydrophobicContact CG-CE1 4.1Å; L267-F356 HydrophobicContact CG-CE2 4.13Å; L267-F356 HydrophobicContact CG-CG 4.14Å; L267-F356 HydrophobicContact CG-CZ 4.11Å; M289-F356 HydrophobicContact CG-CE1 4.24Å; M289-F356 HydrophobicContact SD-CD1 4.08Å; M289-F356 HydrophobicContact SD-CE1 3.89Å; I325-F356 HydrophobicContact CG2-CB 3.73Å; V326-F356 PolarHBondContact O-N 3.31Å; A327-F356 VanDerWaalsContact CA-O 3.31Å; A327-F356 WeakPolarHBondContact CA-O 3.31Å; A327-F356 HydrophobicContact CB-CB 4.34Å; A327-F356 HydrophobicContact CB-CD1 4.43Å; F328-F356 PolarHBondContact N-O 2.8Å; F328-F356 VanDerWaalsContact N-O 3.14Å; F356-V385 HydrophobicContact CD2-CB 3.91Å; F356-V385 HydrophobicContact CD2-CG1 3.7Å; F356-V385 HydrophobicContact CE2-CG1 3.79Å
357	V	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.4	-168.2	-177.8	0	0	0	0	109.7	F328 T330 L341 E359 I383 V385 V386 S387	F328-V357 HydrophobicContact CD1-CG2 4.45Å; F328-V357 HydrophobicContact CE1-CG2 3.83Å; F328-V357 HydrophobicContact CE2-CG1 4.16Å; F328-V357 HydrophobicContact CE2-CG2 4Å; F328-V357 HydrophobicContact CZ-CG2 3.58Å; F328-V357 WeakPolarHBondContact O-CA 3.17Å; T330-V357 HydrophobicContact CG2-CG1 3.21Å; L341-V357 HydrophobicContact CD1-CG1 4.12Å; V357-E359 HydrophobicContact CG1-CG 4.41Å; V357-E359 PolarHBondContact O-N 3.46Å; V357-I383 HydrophobicContact CB-CD1 4.33Å; V357-I383 HydrophobicContact CB-CG1 4.35Å; V357-I383 HydrophobicContact CB-CG2 3.67Å; V357-I383 HydrophobicContact CG1-CD1 4.08Å; V357-I383 HydrophobicContact CG1-CG1 4.46Å; V357-I383 HydrophobicContact CG2-CB 4.46Å; V357-I383 HydrophobicContact CG2-CG1 4.17Å; V357-I383 HydrophobicContact CG2-CG2 3.77Å; V357-V385 PolarHBondContact N-O 3.38Å; V357-V386 CarbonylContact O-C 3.33Å; V357-V386 WeakPolarHBondContact O-CA 3.27Å; V357-S387 PolarHBondContact O-N 2.71Å
358	D	98.9	Very high	98.6	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.027	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	110	178.2	-174.8	-43.5	0	0	0	109.9	N263 M289 F328 E329 T330 V360 S387	N263-D358 PolarHBondContact ND2-OD2 3.49Å; M289-D358 HydrophobicContact CE-CB 3.96Å; M289-D358 HydrophobicContact SD-CB 4.08Å; F328-D358 PolarHBondContact O-N 2.8Å; E329-D358 WeakPolarHBondContact CA-O 3.45Å; E329-D358 HydrophobicContact CG-CB 3.85Å; T330-D358 PolarHBondContact N-O 3.47Å; D358-V360 WeakPolarHBondContact OD1-CA 3.46Å; D358-V360 WeakPolarHBondContact OD1-CB 3.17Å; D358-V360 WeakPolarHBondContact OD1-CG2 3.1Å; D358-V360 PolarHBondContact OD1-N 3.16Å; D358-S387 WeakPolarHBondContact CA-OG 3.29Å
359	E	98.9	Very high	98.6	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.014	12%	0.123	C	C	.	.			trans	-100.5	19.3	176.7	-68.3	-99.3	-134.8	0	0	111.3	T330 V357 H361 A362 V363 V373 G374 V386 S387	T330-E359 WeakPolarHBondContact CB-OE2 3.47Å; T330-E359 VanDerWaalsContact CG2-CD 3.44Å; T330-E359 HydrophobicContact CG2-CG 3.78Å; T330-E359 VanDerWaalsContact CG2-OE2 3.27Å; T330-E359 WeakPolarHBondContact CG2-OE2 3.45Å; T330-E359 PolarHBondContact OG1-OE2 2.85Å; V357-E359 HydrophobicContact CG1-CG 4.41Å; V357-E359 PolarHBondContact O-N 3.46Å; E359-H361 PolarHBondContact O-N 3.13Å; E359-H361 VanDerWaalsContact O-N 3.13Å; E359-A362 HydrophobicContact CB-CB 4.24Å; E359-A362 WeakPolarHBondContact O-CA 3.28Å; E359-A362 PolarHBondContact O-N 3.27Å; E359-A362 WeakPolarHBondContact OE2-CB 3.42Å; E359-V363 HydrophobicContact CB-CG1 3.85Å; E359-V363 WeakPolarHBondContact O-CG1 3.46Å; E359-V363 PolarHBondContact O-N 3.16Å; E359-V373 VanDerWaalsContact CD-N 3.35Å; E359-V373 PolarHBondContact OE1-N 2.9Å; E359-V373 PolarHBondContact OE2-N 3.33Å; E359-G374 PolarHBondContact OE1-N 2.87Å; E359-V386 HydrophobicContact CB-CG1 4.13Å; E359-V386 HydrophobicContact CG-CG1 4.07Å; E359-S387 PolarHBondContact N-O 2.88Å
360	V	98.8	Very high	98.6	Very high	10 Å²	10	21 Å²	21	6%	0.061	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.6	-174.4	163.3	0	0	0	0	113.8	C259 D358 T389 K392	C259-V360 HydrophobicContact CB-CG2 3.82Å; C259-V360 WeakPolarHBondContact SG-CG2 3.2Å; D358-V360 WeakPolarHBondContact OD1-CA 3.46Å; D358-V360 WeakPolarHBondContact OD1-CB 3.17Å; D358-V360 WeakPolarHBondContact OD1-CG2 3.1Å; D358-V360 PolarHBondContact OD1-N 3.16Å; V360-T389 HydrophobicContact CB-CG2 4.37Å; V360-T389 HydrophobicContact CG1-CG2 3.74Å; V360-T389 WeakPolarHBondContact O-CG2 3.19Å; V360-K392 HydrophobicContact CG1-CD 3.76Å
361	H	98.8	Very high	98.6	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.028	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	13.3	175.9	-78.4	-91.8	0	0	0	113	Y200 V331 S333 E359 K392 H475 R518	Y200-H361 AromaticContact CZ-ND1 3.92Å; Y200-H361 PolarHBondContact OH-CE1 3.37Å; Y200-H361 PolarHBondContact OH-ND1 2.98Å; V331-H361 HydrophobicContact CB-CB 3.79Å; V331-H361 HydrophobicContact CG1-CB 3.83Å; V331-H361 VanDerWaalsContact O-CB 3.31Å; V331-H361 WeakPolarHBondContact O-CB 3.37Å; S333-H361 WeakPolarHBondContact CB-NE2 3.37Å; E359-H361 PolarHBondContact O-N 3.13Å; E359-H361 VanDerWaalsContact O-N 3.13Å; H361-K392 PolarHBondContact CE1-NZ 3.02Å; H361-K392 PolarHBondContact NE2-NZ 3.43Å; H361-H475 PolarHBondContact O-CE1 2.8Å; H361-R518 PolarHBondContact CE1-NH2 3.41Å
362	A	98.8	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-34.8	-177	0	0	0	0	0	114.2	T330 V331 E359 G364 L365 Y366 V373	T330-A362 WeakPolarHBondContact OG1-CB 3.4Å; V331-A362 HydrophobicContact CG2-CB 3.8Å; E359-A362 HydrophobicContact CB-CB 4.24Å; E359-A362 WeakPolarHBondContact O-CA 3.28Å; E359-A362 PolarHBondContact O-N 3.27Å; E359-A362 WeakPolarHBondContact OE2-CB 3.42Å; A362-G364 PolarHBondContact O-N 2.88Å; A362-L365 WeakPolarHBondContact O-CA 3.2Å; A362-L365 WeakPolarHBondContact O-CB 3.5Å; A362-L365 PolarHBondContact O-N 2.86Å; A362-Y366 HydrophobicContact CB-CD2 3.82Å; A362-Y366 HydrophobicContact CB-CE2 4.21Å; A362-Y366 PolarHBondContact O-N 3.28Å; A362-Y366 VanDerWaalsContact O-N 3.16Å; A362-V373 HydrophobicContact CB-CG2 3.95Å
363	V	98.8	Very high	98.6	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	136.2	176.3	-64.8	0	0	0	0	110.9	E359 L365 A393 F394 Y400	E359-V363 HydrophobicContact CB-CG1 3.85Å; E359-V363 WeakPolarHBondContact O-CG1 3.46Å; E359-V363 PolarHBondContact O-N 3.16Å; V363-L365 PolarHBondContact O-N 3.04Å; V363-A393 WeakPolarHBondContact O-CB 3.29Å; V363-F394 HydrophobicContact CB-CE2 3.75Å; V363-F394 HydrophobicContact CB-CZ 4.08Å; V363-F394 HydrophobicContact CG2-CD2 4.38Å; V363-F394 HydrophobicContact CG2-CE2 3.67Å; V363-F394 HydrophobicContact CG2-CZ 4.46Å; V363-Y400 WeakPolarHBondContact CG1-OH 3.4Å
364	G	98.6	Very high	98.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-23.6	-167.9	0	0	0	0	0	115.3	A362 G370 R448	A362-G364 PolarHBondContact O-N 2.88Å; G364-G370 PolarHBondContact N-O 2.94Å; G364-R448 WeakPolarHBondContact O-CD 3.35Å; G364-R448 WeakPolarHBondContact O-CG 3.41Å; G364-R448 PolarHBondContact O-NH1 2.98Å
365	L	98.8	Very high	98.6	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.01	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-27.9	-163.7	-54.5	-178.4	0	0	0	115.7	Y200 L201 A362 V363 A393 R448 H475	Y200-L365 HydrophobicContact CD2-CD1 3.63Å; Y200-L365 HydrophobicContact CD2-CD2 4.35Å; Y200-L365 HydrophobicContact CD2-CG 4.47Å; Y200-L365 HydrophobicContact CE2-CD1 4.07Å; Y200-L365 HydrophobicContact CG-CD1 4.17Å; L201-L365 HydrophobicContact CD1-CD2 3.93Å; L201-L365 HydrophobicContact CD2-CD2 3.95Å; L201-L365 HydrophobicContact CG-CD2 3.76Å; A362-L365 WeakPolarHBondContact O-CA 3.2Å; A362-L365 WeakPolarHBondContact O-CB 3.5Å; A362-L365 PolarHBondContact O-N 2.86Å; V363-L365 PolarHBondContact O-N 3.04Å; L365-A393 HydrophobicContact CD2-CB 3.58Å; L365-A393 HydrophobicContact CG-CB 3.83Å; L365-R448 WeakPolarHBondContact O-CD 3.34Å; L365-R448 WeakPolarHBondContact O-CG 3.47Å; L365-H475 WeakPolarHBondContact CD1-CE1 3.48Å
366	Y	98.6	Very high	98.5	Very high	17 Å²	17	10.3 Å²	10.3	7%	0.067	5%	0.048	C	C	.	.	S	Bend	trans	-129.8	158.5	179.1	-49.5	-93.3	0	0	0	111.5	V331 I338 A362 G370 A371 G372 V373 Q452 S474 H475	V331-Y366 HydrophobicContact CG2-CD2 4.29Å; V331-Y366 HydrophobicContact CG2-CE2 3.61Å; I338-Y366 HydrophobicContact CD1-CE1 4.2Å; A362-Y366 HydrophobicContact CB-CD2 3.82Å; A362-Y366 HydrophobicContact CB-CE2 4.21Å; A362-Y366 PolarHBondContact O-N 3.28Å; A362-Y366 VanDerWaalsContact O-N 3.16Å; Y366-G370 CarbonylContact O-C 3.59Å; Y366-G370 WeakPolarHBondContact O-CA 3.4Å; Y366-A371 PolarHBondContact O-N 2.61Å; Y366-G372 CarbonylContact C-O 3.56Å; Y366-G372 PolarHBondContact O-N 2.84Å; Y366-G372 VanDerWaalsContact O-N 3.12Å; Y366-V373 HydrophobicContact CD2-CG2 4.35Å; Y366-Q452 VanDerWaalsContact CE1-NE2 3.31Å; Y366-S474 WeakPolarHBondContact OH-CA 3.2Å; Y366-S474 VanDerWaalsContact OH-CB 3.31Å; Y366-S474 WeakPolarHBondContact OH-CB 3.35Å; Y366-H475 AromaticContact CE2-ND1 3.97Å; Y366-H475 AromaticContact CZ-ND1 3.83Å; Y366-H475 PolarHBondContact OH-N 3.09Å; Y366-H475 PolarHBondContact OH-ND1 3.16Å
367	G	97.8	Very high	98.5	Very high	3 Å²	3	13.1 Å²	13.1	3%	0.031	6%	0.062	C	C	.	.	S	Bend	trans	82.6	165.2	-171.3	0	0	0	0	0	113.5	H369 G370 E375 R448	G367-H369 VanDerWaalsContact C-N 3.32Å; G367-H369 PolarHBondContact O-N 2.87Å; G367-G370 PolarHBondContact O-N 2.81Å; G367-E375 VanDerWaalsContact CA-OE2 3.28Å; G367-E375 WeakPolarHBondContact CA-OE2 3.14Å; G367-R448 PolarHBondContact O-NE 3.37Å
368	A	96.4	Very high	98.5	Very high	4 Å²	4	19 Å²	19	3%	0.033	9%	0.094	C	C	.	.	S	Bend	trans	-63.4	-35.2	-176.2	0	0	0	0	0	113.1	E375 Q445 R448 Y575	A368-E375 PolarHBondContact N-OE2 3.01Å; A368-E375 VanDerWaalsContact N-OE2 3.14Å; A368-Q445 WeakPolarHBondContact O-CG 3.39Å; A368-Q445 PolarHBondContact O-NE2 2.87Å; A368-R448 PolarHBondContact O-NH2 3.41Å; A368-Y575 HydrophobicContact CB-CE1 3.64Å; A368-Y575 WeakPolarHBondContact CB-OH 3.33Å
369	H	98.5	Very high	98.4	Very high	80 Å²	80	19.2 Å²	19.2	37%	0.37	10%	0.095	S	C	.	.	S	Bend	trans	-111.6	2.1	-178.9	-48.1	93.6	0	0	0	112.5	G367 E375 L439 K440	G367-H369 VanDerWaalsContact C-N 3.32Å; G367-H369 PolarHBondContact O-N 2.87Å; H369-E375 IonicContact CE1-OE1 3.78Å; H369-E375 IonicContact CG-OE1 3.75Å; H369-E375 PolarHBondContact N-OE1 3.12Å; H369-E375 PolarHBondContact N-OE2 2.82Å; H369-E375 IonicContact ND1-OE1 3.22Å; H369-E375 PolarHBondContact ND1-OE1 3.01Å; H369-L439 CarbonylContact O-C 3.48Å; H369-K440 HydrophobicContact CB-CB 4.34Å; H369-K440 HydrophobicContact CB-CG 4.18Å; H369-K440 VanDerWaalsContact O-CA 3.31Å; H369-K440 WeakPolarHBondContact O-CA 3.47Å
370	G	98.4	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	81.1	27.6	-178.4	0	0	0	0	0	112.7	G364 Y366 G367 E375	G364-G370 PolarHBondContact N-O 2.94Å; Y366-G370 CarbonylContact O-C 3.59Å; Y366-G370 WeakPolarHBondContact O-CA 3.4Å; G367-G370 PolarHBondContact O-N 2.81Å; G370-E375 PolarHBondContact N-OE2 2.96Å
371	A	98.6	Very high	98.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	12%	0.124	C	C	.	.			trans	-79.3	-17	177.7	0	0	0	0	0	113.2	L247 H248 Y366 E375 M380	L247-A371 HydrophobicContact CD1-CB 3.72Å; L247-A371 HydrophobicContact CG-CB 3.84Å; L247-A371 VanDerWaalsContact O-CB 3.31Å; L247-A371 WeakPolarHBondContact O-CB 3.41Å; H248-A371 PolarHBondContact CE1-O 2.91Å; Y366-A371 PolarHBondContact O-N 2.61Å; A371-E375 HydrophobicContact CB-CB 3.85Å; A371-E375 HydrophobicContact CB-CG 4.36Å; A371-E375 PolarHBondContact N-OE2 2.82Å; A371-M380 HydrophobicContact CB-CE 3.67Å
372	G	98.6	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.			trans	132.4	-165	174.2	0	0	0	0	0	114.2	Y366 G374 E375 R376	Y366-G372 CarbonylContact C-O 3.56Å; Y366-G372 PolarHBondContact O-N 2.84Å; Y366-G372 VanDerWaalsContact O-N 3.12Å; G372-G374 VanDerWaalsContact C-N 3.35Å; G372-E375 PolarHBondContact O-N 3.13Å; G372-R376 PolarHBondContact O-N 2.82Å; G372-R376 VanDerWaalsContact O-N 3.14Å
373	V	98.7	Very high	98.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-38.3	176.1	176.6	0	0	0	0	110.6	T330 V331 I338 L341 E359 A362 Y366 E375 R376 D377	T330-V373 HydrophobicContact CG2-CB 4.21Å; V331-V373 HydrophobicContact CG2-CG2 3.71Å; I338-V373 HydrophobicContact CG2-CG1 4.11Å; I338-V373 HydrophobicContact CG2-CG2 4.21Å; L341-V373 HydrophobicContact CD2-CB 4.33Å; L341-V373 HydrophobicContact CD2-CG1 3.9Å; E359-V373 VanDerWaalsContact CD-N 3.35Å; E359-V373 PolarHBondContact OE1-N 2.9Å; E359-V373 PolarHBondContact OE2-N 3.33Å; A362-V373 HydrophobicContact CB-CG2 3.95Å; Y366-V373 HydrophobicContact CD2-CG2 4.35Å; V373-E375 PolarHBondContact O-N 3.47Å; V373-E375 VanDerWaalsContact O-N 3.16Å; V373-R376 WeakPolarHBondContact O-CB 3.49Å; V373-R376 PolarHBondContact O-N 2.86Å; V373-R376 VanDerWaalsContact O-N 3.07Å; V373-D377 VanDerWaalsContact CG1-OD2 3.28Å; V373-D377 WeakPolarHBondContact CG1-OD2 3.45Å; V373-D377 PolarHBondContact O-N 2.89Å
374	G	98.4	Very high	98.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-59.3	-27.2	174.3	0	0	0	0	0	113.7	E359 G372 N378 I379 M380	E359-G374 PolarHBondContact OE1-N 2.87Å; G372-G374 VanDerWaalsContact C-N 3.35Å; G374-N378 CarbonylContact O-C 3.49Å; G374-N378 PolarHBondContact O-N 2.84Å; G374-I379 CarbonylContact O-C 3.56Å; G374-I379 PolarHBondContact O-N 3.12Å; G374-M380 VanDerWaalsContact C-CG 3.4Å; G374-M380 WeakPolarHBondContact O-CG 3.48Å; G374-M380 PolarHBondContact O-N 3.47Å
375	E	98.8	Very high	98.4	Very high	20 Å²	20	28.9 Å²	28.9	9%	0.093	14%	0.141	C	C	.	.	H	α-helix	trans	-81.1	-41.6	171.7	179.7	178.6	-132.6	0	0	112.6	G367 A368 H369 G370 A371 G372 V373 D377 N378 M380	G367-E375 VanDerWaalsContact CA-OE2 3.28Å; G367-E375 WeakPolarHBondContact CA-OE2 3.14Å; A368-E375 PolarHBondContact N-OE2 3.01Å; A368-E375 VanDerWaalsContact N-OE2 3.14Å; H369-E375 IonicContact CE1-OE1 3.78Å; H369-E375 IonicContact CG-OE1 3.75Å; H369-E375 PolarHBondContact N-OE1 3.12Å; H369-E375 PolarHBondContact N-OE2 2.82Å; H369-E375 IonicContact ND1-OE1 3.22Å; H369-E375 PolarHBondContact ND1-OE1 3.01Å; G370-E375 PolarHBondContact N-OE2 2.96Å; A371-E375 HydrophobicContact CB-CB 3.85Å; A371-E375 HydrophobicContact CB-CG 4.36Å; A371-E375 PolarHBondContact N-OE2 2.82Å; G372-E375 PolarHBondContact O-N 3.13Å; V373-E375 PolarHBondContact O-N 3.47Å; V373-E375 VanDerWaalsContact O-N 3.16Å; E375-D377 PolarHBondContact O-N 2.96Å; E375-N378 PolarHBondContact O-N 2.9Å; E375-M380 HydrophobicContact CB-CE 4.27Å; E375-M380 HydrophobicContact CB-CG 4.06Å; E375-M380 HydrophobicContact CB-SD 3.8Å; E375-M380 HydrophobicContact CG-SD 4.08Å
376	R	98.4	Very high	98.5	Very high	63 Å²	63	28.9 Å²	28.9	24%	0.238	14%	0.141	C	C	.	.	H	α-helix	trans	-53.4	-44.7	174.5	-174	-164.6	69.5	-174.4	-2.2	111	G372 V373 W571	G372-R376 PolarHBondContact O-N 2.82Å; G372-R376 VanDerWaalsContact O-N 3.14Å; V373-R376 WeakPolarHBondContact O-CB 3.49Å; V373-R376 PolarHBondContact O-N 2.86Å; V373-R376 VanDerWaalsContact O-N 3.07Å; R376-W571 HydrophobicContact CG-CH2 4.32Å; R376-W571 HydrophobicContact CG-CZ2 4.02Å; R376-W571 PolarHBondContact O-NE1 3.14Å; R376-W571 VanDerWaalsContact O-NE1 3.15Å
377	D	98	Very high	98.5	Very high	59 Å²	59	28.1 Å²	28.1	32%	0.316	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	5.1	-175	-58.8	-16.6	0	0	0	112.6	V373 E375 I379	V373-D377 VanDerWaalsContact CG1-OD2 3.28Å; V373-D377 WeakPolarHBondContact CG1-OD2 3.45Å; V373-D377 PolarHBondContact O-N 2.89Å; E375-D377 PolarHBondContact O-N 2.96Å; D377-I379 HydrophobicContact CB-CD1 3.94Å; D377-I379 HydrophobicContact CB-CG1 3.86Å; D377-I379 PolarHBondContact O-N 3.5Å; D377-I379 VanDerWaalsContact O-N 3.09Å
378	N	98.1	Very high	98.5	Very high	124 Å²	124	28 Å²	28	66%	0.663	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	14.5	178.1	-164.4	41.8	0	0	0	116.1	G374 E375	G374-N378 CarbonylContact O-C 3.49Å; G374-N378 PolarHBondContact O-N 2.84Å; E375-N378 PolarHBondContact O-N 2.9Å
379	I	98.6	Very high	98.6	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.046	14%	0.138	C	C	.	.			trans	-107.9	22	-176	56.9	-178.2	0	0	0	114.1	L341 E342 G374 D377 H381 K382	L341-I379 HydrophobicContact CB-CD1 4.07Å; L341-I379 HydrophobicContact CD2-CD1 3.89Å; L341-I379 HydrophobicContact CD2-CG1 4.04Å; L341-I379 HydrophobicContact CG-CD1 3.71Å; L341-I379 HydrophobicContact CG-CG1 4.31Å; E342-I379 HydrophobicContact CB-CD1 3.69Å; E342-I379 HydrophobicContact CG-CD1 4.47Å; G374-I379 CarbonylContact O-C 3.56Å; G374-I379 PolarHBondContact O-N 3.12Å; D377-I379 HydrophobicContact CB-CD1 3.94Å; D377-I379 HydrophobicContact CB-CG1 3.86Å; D377-I379 PolarHBondContact O-N 3.5Å; D377-I379 VanDerWaalsContact O-N 3.09Å; I379-H381 PolarHBondContact O-N 3Å; I379-K382 HydrophobicContact CB-CB 4.39Å; I379-K382 HydrophobicContact CB-CD 4.11Å; I379-K382 HydrophobicContact CB-CG 4.15Å; I379-K382 HydrophobicContact CG2-CD 4.07Å; I379-K382 HydrophobicContact CG2-CG 4.48Å; I379-K382 WeakPolarHBondContact O-CB 3.37Å; I379-K382 PolarHBondContact O-N 3.29Å
380	M	98.6	Very high	98.7	Very high	12 Å²	12	24.6 Å²	24.6	6%	0.059	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-46.5	-29.4	174.2	-51.7	174	73.7	0	0	113.8	L247 K249 K250 A371 G374 E375	L247-M380 VanDerWaalsContact O-CE 3.31Å; L247-M380 WeakPolarHBondContact O-CE 3.34Å; K249-M380 HydrophobicContact CB-CE 4.49Å; K249-M380 HydrophobicContact CD-CE 4.12Å; K249-M380 HydrophobicContact CD-SD 3.7Å; K249-M380 HydrophobicContact CG-CE 4.06Å; K249-M380 HydrophobicContact CG-SD 4.31Å; K249-M380 PolarHBondContact NZ-SD 3.35Å; K250-M380 WeakPolarHBondContact CE-O 3.47Å; K250-M380 PolarHBondContact NZ-O 3.15Å; A371-M380 HydrophobicContact CB-CE 3.67Å; G374-M380 VanDerWaalsContact C-CG 3.4Å; G374-M380 WeakPolarHBondContact O-CG 3.48Å; G374-M380 PolarHBondContact O-N 3.47Å; E375-M380 HydrophobicContact CB-CE 4.27Å; E375-M380 HydrophobicContact CB-CG 4.06Å; E375-M380 HydrophobicContact CB-SD 3.8Å; E375-M380 HydrophobicContact CG-SD 4.08Å
381	H	98.6	Very high	98.7	Very high	134 Å²	134	26.1 Å²	26.1	62%	0.62	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-72.2	-26	178.5	65.3	-89.4	0	0	0	113.4	I379 I383	I379-H381 PolarHBondContact O-N 3Å; H381-I383 VanDerWaalsContact C-N 3.31Å
382	K	98.8	Very high	98.7	Very high	29 Å²	29	27.9 Å²	27.9	13%	0.126	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-78.1	-9.9	176.6	-60.8	-168.2	172	-177.6	0	114	E342 C345 D346 H349 T355 I379	E342-K382 IonicContact OE1-NZ 2.73Å; E342-K382 PolarHBondContact OE1-NZ 3.47Å; C345-K382 HydrophobicContact CB-CB 3.81Å; C345-K382 HydrophobicContact CB-CD 4.3Å; C345-K382 PolarHBondContact SG-O 2.84Å; D346-K382 WeakPolarHBondContact OD1-CD 3.35Å; D346-K382 WeakPolarHBondContact OD1-CE 3.37Å; D346-K382 IonicContact OD1-NZ 2.71Å; D346-K382 PolarHBondContact OD1-NZ 3.05Å; D346-K382 IonicContact OD2-NZ 3.14Å; D346-K382 PolarHBondContact OD2-NZ 2.72Å; H349-K382 PolarHBondContact CE1-O 3.16Å; T355-K382 PolarHBondContact OG1-O 3.04Å; I379-K382 HydrophobicContact CB-CB 4.39Å; I379-K382 HydrophobicContact CB-CD 4.11Å; I379-K382 HydrophobicContact CB-CG 4.15Å; I379-K382 HydrophobicContact CG2-CD 4.07Å; I379-K382 HydrophobicContact CG2-CG 4.48Å; I379-K382 WeakPolarHBondContact O-CB 3.37Å; I379-K382 PolarHBondContact O-N 3.29Å
383	I	98.9	Very high	98.7	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.144	C	C	.	.			trans	-90.5	120.5	173.4	-57.2	174.3	0	0	0	109.5	K250 L341 T355 V357 H381 V386	K250-I383 WeakPolarHBondContact CE-O 3.43Å; K250-I383 PolarHBondContact NZ-O 3.14Å; L341-I383 HydrophobicContact CD1-CD1 4.38Å; L341-I383 HydrophobicContact CD1-CG1 4.32Å; L341-I383 HydrophobicContact CD2-CD1 4.3Å; T355-I383 WeakPolarHBondContact OG1-CA 3.3Å; V357-I383 HydrophobicContact CB-CD1 4.33Å; V357-I383 HydrophobicContact CB-CG1 4.35Å; V357-I383 HydrophobicContact CB-CG2 3.67Å; V357-I383 HydrophobicContact CG1-CD1 4.08Å; V357-I383 HydrophobicContact CG1-CG1 4.46Å; V357-I383 HydrophobicContact CG2-CB 4.46Å; V357-I383 HydrophobicContact CG2-CG1 4.17Å; V357-I383 HydrophobicContact CG2-CG2 3.77Å; H381-I383 VanDerWaalsContact C-N 3.31Å; I383-V386 HydrophobicContact CB-CG2 4.2Å; I383-V386 HydrophobicContact CD1-CG2 4.2Å; I383-V386 HydrophobicContact CG2-CB 4.42Å; I383-V386 HydrophobicContact CG2-CG2 3.54Å
384	D	98.9	Very high	98.7	Very high	44 Å²	44	28 Å²	28	24%	0.235	15%	0.145	C	C	.	.	S	Bend	trans	-80	-45.8	179.7	-57.8	-78.5	0	0	0	111.6	H349 L354 T355 S403	H349-D384 IonicContact CD2-OD2 3.88Å; H349-D384 IonicContact CE1-OD2 2.64Å; H349-D384 IonicContact NE2-OD1 3.38Å; H349-D384 IonicContact NE2-OD2 2.79Å; H349-D384 PolarHBondContact NE2-OD2 2.68Å; L354-D384 HydrophobicContact CB-CB 4.37Å; L354-D384 HydrophobicContact CD2-CB 4.14Å; T355-D384 PolarHBondContact N-OD2 2.8Å; T355-D384 PolarHBondContact OG1-N 3.18Å; T355-D384 PolarHBondContact OG1-OD2 3.39Å; D384-S403 VanDerWaalsContact O-CB 3.29Å; D384-S403 WeakPolarHBondContact O-CB 3.49Å; D384-S403 PolarHBondContact O-OG 3.49Å
385	V	98.9	Very high	98.7	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	111.1	175.1	-172.3	0	0	0	0	109.1	T355 F356 V357 I401 L407	T355-V385 PolarHBondContact O-N 3.5Å; F356-V385 HydrophobicContact CD2-CB 3.91Å; F356-V385 HydrophobicContact CD2-CG1 3.7Å; F356-V385 HydrophobicContact CE2-CG1 3.79Å; V357-V385 PolarHBondContact N-O 3.38Å; V385-I401 HydrophobicContact CG1-CB 4.11Å; V385-I401 HydrophobicContact CG1-CG2 4.35Å; V385-L407 HydrophobicContact CG2-CD1 3.56Å; V385-L407 HydrophobicContact CG2-CD2 3.81Å; V385-L407 HydrophobicContact CG2-CG 4.37Å
386	V	98.9	Very high	98.7	Very high	2 Å²	2	29 Å²	29	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	137	163.3	175.4	0	0	0	0	108.2	V357 E359 I383 I401 A402	V357-V386 CarbonylContact O-C 3.33Å; V357-V386 WeakPolarHBondContact O-CA 3.27Å; E359-V386 HydrophobicContact CB-CG1 4.13Å; E359-V386 HydrophobicContact CG-CG1 4.07Å; I383-V386 HydrophobicContact CB-CG2 4.2Å; I383-V386 HydrophobicContact CD1-CG2 4.2Å; I383-V386 HydrophobicContact CG2-CB 4.42Å; I383-V386 HydrophobicContact CG2-CG2 3.54Å; V386-I401 CarbonylContact O-C 3.56Å; V386-I401 WeakPolarHBondContact O-CA 3.32Å; V386-A402 PolarHBondContact N-O 3.09Å; V386-A402 PolarHBondContact O-N 3.34Å
387	S	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.2	156.1	79.3	0	0	0	0	111.7	N263 V357 D358 E359 Y400	N263-S387 WeakPolarHBondContact OD1-CB 3.47Å; N263-S387 PolarHBondContact OD1-OG 3.06Å; V357-S387 PolarHBondContact O-N 2.71Å; D358-S387 WeakPolarHBondContact CA-OG 3.29Å; E359-S387 PolarHBondContact N-O 2.88Å; S387-Y400 WeakPolarHBondContact CA-O 3Å
388	G	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	163.5	-176.2	0	0	0	0	0	113.8	C259 G399 Y400	C259-G388 VanDerWaalsContact SG-C 3.53Å; C259-G388 PolarHBondContact SG-O 3.45Å; G388-G399 CarbonylContact O-C 3.6Å; G388-G399 WeakPolarHBondContact O-CA 2.95Å; G388-Y400 PolarHBondContact N-O 3.38Å; G388-Y400 WeakPolarHBondContact O-CD1 3.48Å; G388-Y400 PolarHBondContact O-N 3.2Å
389	T	98.9	Very high	98.8	Very high	13 Å²	13	20.8 Å²	20.8	8%	0.08	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155	-178.9	-169	0	0	0	0	111.9	V360 G391 K392 F394 G398	V360-T389 HydrophobicContact CB-CG2 4.37Å; V360-T389 HydrophobicContact CG1-CG2 3.74Å; V360-T389 WeakPolarHBondContact O-CG2 3.19Å; T389-G391 PolarHBondContact OG1-N 3.4Å; T389-G391 VanDerWaalsContact OG1-N 3.08Å; T389-K392 HydrophobicContact CG2-CB 3.68Å; T389-K392 HydrophobicContact CG2-CD 4Å; T389-K392 HydrophobicContact CG2-CG 3.72Å; T389-F394 WeakPolarHBondContact O-CD2 3.32Å; T389-G398 PolarHBondContact OG1-O 3.38Å
390	L	98.9	Very high	98.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-99.4	-11.3	166.3	-52.8	-178	0	0	0	112.1	M240 L244 F394 C396 G398 Y400 L429 A432	M240-L390 HydrophobicContact CE-CD1 4.09Å; M240-L390 HydrophobicContact CE-CD2 3.54Å; M240-L390 HydrophobicContact CE-CG 4.47Å; L244-L390 HydrophobicContact CD2-CD2 4.41Å; L390-F394 HydrophobicContact CD2-CD2 4.36Å; L390-C396 CarbonylContact O-C 3.57Å; L390-C396 WeakPolarHBondContact O-CA 3.48Å; L390-C396 PolarHBondContact O-N 2.87Å; L390-G398 PolarHBondContact N-O 3.04Å; L390-Y400 HydrophobicContact CD2-CD1 3.82Å; L390-Y400 HydrophobicContact CD2-CE1 3.79Å; L390-Y400 HydrophobicContact CG-CD1 4.33Å; L390-L429 HydrophobicContact CD1-CD2 4.27Å; L390-A432 HydrophobicContact CB-CB 4.35Å; L390-A432 HydrophobicContact CD1-CB 3.95Å
391	G	98.5	Very high	98.8	Very high	32 Å²	32	19.8 Å²	19.8	33%	0.33	11%	0.114	S	C	.	.	S	Bend	trans	-104.3	31	-174.5	0	0	0	0	0	116.2	T389 C396	T389-G391 PolarHBondContact OG1-N 3.4Å; T389-G391 VanDerWaalsContact OG1-N 3.08Å; G391-C396 WeakPolarHBondContact CA-O 3.43Å
392	K	98.8	Very high	98.8	Very high	38 Å²	38	13.4 Å²	13.4	17%	0.165	9%	0.085	C	C	.	.	S	Bend	trans	-126.7	-106.6	168.8	-65.8	-177.3	-177.7	162.9	0	110.1	N198 Y200 V360 H361 T389 F394 G395	N198-K392 HydrophobicContact CB-CB 4.39Å; N198-K392 HydrophobicContact CB-CD 4.21Å; N198-K392 HydrophobicContact CB-CG 3.86Å; N198-K392 CarbonylContact O-C 3.48Å; N198-K392 WeakPolarHBondContact O-CA 3.16Å; N198-K392 WeakPolarHBondContact O-CB 3.13Å; Y200-K392 HydrophobicContact CD2-CB 4.3Å; Y200-K392 HydrophobicContact CE2-CB 3.93Å; Y200-K392 HydrophobicContact CE2-CD 4.38Å; V360-K392 HydrophobicContact CG1-CD 3.76Å; H361-K392 PolarHBondContact CE1-NZ 3.02Å; H361-K392 PolarHBondContact NE2-NZ 3.43Å; T389-K392 HydrophobicContact CG2-CB 3.68Å; T389-K392 HydrophobicContact CG2-CD 4Å; T389-K392 HydrophobicContact CG2-CG 3.72Å; K392-F394 PolarHBondContact O-N 3.33Å; K392-F394 VanDerWaalsContact O-N 3.12Å; K392-G395 PolarHBondContact O-N 3.17Å
393	A	98.8	Very high	98.8	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.5	-178.9	0	0	0	0	0	114.7	Y200 M203 V363 L365 G395 L439	Y200-A393 HydrophobicContact CD2-CB 4.45Å; M203-A393 WeakPolarHBondContact CB-O 3.15Å; M203-A393 WeakPolarHBondContact CG-O 3.34Å; V363-A393 WeakPolarHBondContact O-CB 3.29Å; L365-A393 HydrophobicContact CD2-CB 3.58Å; L365-A393 HydrophobicContact CG-CB 3.83Å; A393-G395 VanDerWaalsContact C-N 3.35Å; A393-L439 HydrophobicContact CB-CD1 4.4Å
394	F	98.9	Very high	98.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-3.6	175.6	-55.2	-65.4	0	0	0	114.5	L247 V363 T389 L390 K392 C396 S435 V436 L439	L247-F394 HydrophobicContact CD2-CZ 4.22Å; V363-F394 HydrophobicContact CB-CE2 3.75Å; V363-F394 HydrophobicContact CB-CZ 4.08Å; V363-F394 HydrophobicContact CG2-CD2 4.38Å; V363-F394 HydrophobicContact CG2-CE2 3.67Å; V363-F394 HydrophobicContact CG2-CZ 4.46Å; T389-F394 WeakPolarHBondContact O-CD2 3.32Å; L390-F394 HydrophobicContact CD2-CD2 4.36Å; K392-F394 PolarHBondContact O-N 3.33Å; K392-F394 VanDerWaalsContact O-N 3.12Å; F394-C396 VanDerWaalsContact C-N 3.29Å; F394-C396 PolarHBondContact O-N 3.48Å; F394-C396 VanDerWaalsContact O-N 3.12Å; F394-S435 VanDerWaalsContact CA-OG 3.29Å; F394-S435 WeakPolarHBondContact CA-OG 3.29Å; F394-S435 WeakPolarHBondContact O-CB 3.45Å; F394-S435 PolarHBondContact O-OG 3.25Å; F394-V436 HydrophobicContact CD1-CB 4.44Å; F394-V436 HydrophobicContact CD1-CG2 3.7Å; F394-V436 HydrophobicContact CD2-CG2 4.44Å; F394-V436 HydrophobicContact CE1-CB 4.24Å; F394-V436 HydrophobicContact CE1-CG2 3.58Å; F394-V436 HydrophobicContact CE2-CG2 4.31Å; F394-V436 HydrophobicContact CG-CG2 4.16Å; F394-V436 HydrophobicContact CZ-CG2 3.9Å; F394-L439 HydrophobicContact CD1-CD1 3.67Å; F394-L439 HydrophobicContact CD1-CG 4.36Å; F394-L439 HydrophobicContact CE1-CB 4.19Å; F394-L439 HydrophobicContact CE1-CD1 3.85Å; F394-L439 HydrophobicContact CE1-CG 4.48Å
395	G	98.4	Very high	98.8	Very high	14 Å²	14	14.9 Å²	14.9	14%	0.144	11%	0.105	C	C	.	.			trans	65.9	13.8	168.6	0	0	0	0	0	117.9	S204 K392 A393	S204-G395 VanDerWaalsContact CA-O 3.3Å; S204-G395 WeakPolarHBondContact CA-O 3.22Å; S204-G395 WeakPolarHBondContact CB-O 3.31Å; K392-G395 PolarHBondContact O-N 3.17Å; A393-G395 VanDerWaalsContact C-N 3.35Å
396	C	98.8	Very high	98.8	Very high	28 Å²	28	18.1 Å²	18.1	19%	0.189	13%	0.132	C	C	.	.	S	Bend	trans	-113.9	-137.9	-178.8	-65.4	0	0	0	0	111.3	L390 G391 F394 V428 A432	L390-C396 CarbonylContact O-C 3.57Å; L390-C396 WeakPolarHBondContact O-CA 3.48Å; L390-C396 PolarHBondContact O-N 2.87Å; G391-C396 WeakPolarHBondContact CA-O 3.43Å; F394-C396 VanDerWaalsContact C-N 3.29Å; F394-C396 PolarHBondContact O-N 3.48Å; F394-C396 VanDerWaalsContact O-N 3.12Å; C396-V428 HydrophobicContact CB-CG1 4.43Å; C396-A432 HydrophobicContact CB-CB 3.94Å; C396-A432 PolarHBondContact SG-N 2.92Å; C396-A432 VanDerWaalsContact SG-N 3.44Å
397	V	98.8	Very high	98.8	Very high	73 Å²	73	19 Å²	19	44%	0.442	14%	0.137	S	C	.	.			trans	-149	151.1	169.9	65.7	0	0	0	0	110	V428	V397-V428 HydrophobicContact CG1-CG1 3.64Å; V397-V428 HydrophobicContact CG1-CG2 4.29Å; V397-V428 WeakPolarHBondContact O-CG1 3Å
398	G	98.8	Very high	98.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	14%	0.139	C	C	.	.			trans	131.2	172.2	-174.3	0	0	0	0	0	112.2	S257 T389 L390	S257-G398 WeakPolarHBondContact O-CA 3.48Å; T389-G398 PolarHBondContact OG1-O 3.38Å; L390-G398 PolarHBondContact N-O 3.04Å
399	G	98.9	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	173.8	168.1	0	0	0	0	0	111.1	V255 F256 G388	V255-G399 WeakPolarHBondContact CA-O 3.49Å; F256-G399 PolarHBondContact N-O 3.46Å; F256-G399 PolarHBondContact O-N 2.7Å; G388-G399 CarbonylContact O-C 3.6Å; G388-G399 WeakPolarHBondContact O-CA 2.95Å
400	Y	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	165.8	-178.9	61.6	-91.3	0	0	0	112.4	L244 H248 L254 V363 S387 G388 L390	L244-Y400 HydrophobicContact CD1-CD1 3.72Å; L244-Y400 HydrophobicContact CD1-CD2 4.18Å; L244-Y400 HydrophobicContact CD1-CE1 4.26Å; L244-Y400 HydrophobicContact CD1-CG 3.67Å; L244-Y400 HydrophobicContact CD2-CD1 3.96Å; L244-Y400 HydrophobicContact CD2-CD2 4.37Å; L244-Y400 HydrophobicContact CD2-CE1 3.6Å; L244-Y400 HydrophobicContact CD2-CE2 4.05Å; L244-Y400 HydrophobicContact CD2-CG 4.32Å; L244-Y400 HydrophobicContact CG-CD1 4.47Å; L244-Y400 HydrophobicContact CG-CG 4.5Å; H248-Y400 AromaticContact CD2-CE2 3.71Å; H248-Y400 AromaticContact NE2-CE2 3.41Å; H248-Y400 WeakPolarHBondContact NE2-CE2 3.32Å; H248-Y400 AromaticContact NE2-CZ 3.61Å; H248-Y400 PolarHBondContact NE2-OH 3.14Å; L254-Y400 CarbonylContact O-C 3.45Å; L254-Y400 WeakPolarHBondContact O-CA 3.49Å; L254-Y400 VanDerWaalsContact O-CB 3.25Å; L254-Y400 WeakPolarHBondContact O-CB 3.17Å; V363-Y400 WeakPolarHBondContact CG1-OH 3.4Å; S387-Y400 WeakPolarHBondContact CA-O 3Å; G388-Y400 PolarHBondContact N-O 3.38Å; G388-Y400 WeakPolarHBondContact O-CD1 3.48Å; G388-Y400 PolarHBondContact O-N 3.2Å; L390-Y400 HydrophobicContact CD2-CD1 3.82Å; L390-Y400 HydrophobicContact CD2-CE1 3.79Å; L390-Y400 HydrophobicContact CG-CD1 4.33Å
401	I	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155.5	156.5	68.4	175.2	0	0	0	110.1	A253 L254 F256 A262 T266 V385 V386 L407 V411	A253-I401 CarbonylContact C-O 3.39Å; A253-I401 WeakPolarHBondContact CA-O 3.3Å; A253-I401 VanDerWaalsContact CB-O 3.23Å; A253-I401 WeakPolarHBondContact CB-O 3.48Å; L254-I401 HydrophobicContact CB-CG1 4.07Å; L254-I401 PolarHBondContact N-O 3.37Å; L254-I401 PolarHBondContact O-N 3.48Å; L254-I401 VanDerWaalsContact O-N 3.09Å; F256-I401 HydrophobicContact CE2-CG1 4.26Å; F256-I401 HydrophobicContact CE2-CG2 4.31Å; A262-I401 HydrophobicContact CB-CG2 4.4Å; T266-I401 HydrophobicContact CG2-CD1 3.88Å; T266-I401 HydrophobicContact CG2-CG2 4.27Å; T266-I401 WeakPolarHBondContact OG1-CG2 3.34Å; V385-I401 HydrophobicContact CG1-CB 4.11Å; V385-I401 HydrophobicContact CG1-CG2 4.35Å; V386-I401 CarbonylContact O-C 3.56Å; V386-I401 WeakPolarHBondContact O-CA 3.32Å; I401-L407 HydrophobicContact CD1-CD2 4.34Å; I401-V411 HydrophobicContact CD1-CB 4.08Å; I401-V411 HydrophobicContact CD1-CG1 4Å; I401-V411 HydrophobicContact CD1-CG2 3.98Å
402	A	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.9	168.8	0	0	0	0	0	110	H248 K250 A252 A253 V386	H248-A402 HydrophobicContact CB-CB 3.88Å; K250-A402 HydrophobicContact CB-CB 4.28Å; K250-A402 HydrophobicContact CG-CB 4.07Å; A252-A402 WeakPolarHBondContact O-CA 3.42Å; A253-A402 HydrophobicContact CB-CB 3.97Å; V386-A402 PolarHBondContact N-O 3.09Å; V386-A402 PolarHBondContact O-N 3.34Å
403	S	98.9	Very high	98.8	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	-169.1	-172.5	-168.4	0	0	0	0	111	A252 D384	A252-S403 PolarHBondContact N-O 3.07Å; A252-S403 PolarHBondContact O-N 3.02Å; A252-S403 VanDerWaalsContact O-N 3.07Å; D384-S403 VanDerWaalsContact O-CB 3.29Å; D384-S403 WeakPolarHBondContact O-CB 3.49Å; D384-S403 PolarHBondContact O-OG 3.49Å
404	S	98.9	Very high	98.8	Very high	53 Å²	53	36.2 Å²	36.2	37%	0.371	21%	0.211	S	C	.	.			trans	-61.2	152.2	172.7	70	0	0	0	0	111.9	D251 A406 L407 V408	D251-S404 WeakPolarHBondContact OD2-CA 3.14Å; S404-A406 VanDerWaalsContact C-N 3.28Å; S404-A406 PolarHBondContact O-N 3.42Å; S404-L407 PolarHBondContact O-N 3.29Å; S404-V408 PolarHBondContact O-N 3.02Å
405	A	98.8	Very high	98.8	Very high	49 Å²	49	36.1 Å²	36.1	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-41.6	-174.6	0	0	0	0	0	111.9	D251 D409	D251-A405 HydrophobicContact CB-CB 3.84Å; D251-A405 PolarHBondContact OD2-N 3.26Å; A405-D409 VanDerWaalsContact O-CB 3.29Å; A405-D409 WeakPolarHBondContact O-CB 3.14Å; A405-D409 PolarHBondContact O-N 3.29Å
406	A	98.8	Very high	98.8	Very high	71 Å²	71	38.2 Å²	38.2	59%	0.587	23%	0.226	S	C	*	.	H	α-helix	trans	-68.3	-36.4	-179.6	0	0	0	0	0	113.2	S404 T410	S404-A406 VanDerWaalsContact C-N 3.28Å; S404-A406 PolarHBondContact O-N 3.42Å; A406-T410 WeakPolarHBondContact O-CB 3.23Å; A406-T410 PolarHBondContact O-N 3.35Å; A406-T410 PolarHBondContact O-OG1 2.94Å
407	L	98.8	Very high	98.8	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.115	23%	0.232	C	C	.	.	H	α-helix	trans	-69.6	-47.8	176.5	-170.8	153.8	0	0	0	110.2	L270 L354 V385 I401 S404 D409 T410 V411	L270-L407 HydrophobicContact CD1-CD1 4.37Å; L270-L407 HydrophobicContact CD1-CD2 4.29Å; L270-L407 HydrophobicContact CD2-CD1 4.38Å; L270-L407 HydrophobicContact CD2-CD2 4.33Å; L270-L407 HydrophobicContact CD2-CG 4.06Å; L354-L407 HydrophobicContact CD1-CD1 4.42Å; V385-L407 HydrophobicContact CG2-CD1 3.56Å; V385-L407 HydrophobicContact CG2-CD2 3.81Å; V385-L407 HydrophobicContact CG2-CG 4.37Å; I401-L407 HydrophobicContact CD1-CD2 4.34Å; S404-L407 PolarHBondContact O-N 3.29Å; L407-D409 VanDerWaalsContact C-N 3.33Å; L407-D409 PolarHBondContact O-N 3.12Å; L407-T410 WeakPolarHBondContact O-CB 3.43Å; L407-T410 PolarHBondContact O-N 2.75Å; L407-V411 HydrophobicContact CD2-CG2 4.07Å; L407-V411 WeakPolarHBondContact O-CG2 3.46Å; L407-V411 PolarHBondContact O-N 3.14Å
408	V	98.9	Very high	98.8	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-45.3	175.3	165.1	0	0	0	0	111.5	A252 L254 S404 T410 V411 R412	A252-V408 HydrophobicContact CB-CB 3.86Å; A252-V408 HydrophobicContact CB-CG1 3.75Å; A252-V408 HydrophobicContact CB-CG2 3.98Å; L254-V408 HydrophobicContact CB-CG1 4.07Å; S404-V408 PolarHBondContact O-N 3.02Å; V408-T410 VanDerWaalsContact C-N 3.34Å; V408-T410 PolarHBondContact O-N 2.93Å; V408-V411 PolarHBondContact O-N 3.07Å; V408-R412 WeakPolarHBondContact O-CB 3.44Å; V408-R412 PolarHBondContact O-N 3.32Å
409	D	98.9	Very high	98.8	Very high	74 Å²	74	37.7 Å²	37.7	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-69.8	-32	-178.7	-151.6	66.9	0	0	0	112.9	A405 L407 R412 S413	A405-D409 VanDerWaalsContact O-CB 3.29Å; A405-D409 WeakPolarHBondContact O-CB 3.14Å; A405-D409 PolarHBondContact O-N 3.29Å; L407-D409 VanDerWaalsContact C-N 3.33Å; L407-D409 PolarHBondContact O-N 3.12Å; D409-R412 IonicContact OD1-CZ 3.61Å; D409-R412 IonicContact OD1-NE 3.61Å; D409-R412 PolarHBondContact OD1-NE 3.28Å; D409-R412 IonicContact OD1-NH2 2.74Å; D409-R412 PolarHBondContact OD1-NH2 3.43Å; D409-R412 IonicContact OD2-CZ 2.76Å; D409-R412 IonicContact OD2-NH2 2.72Å; D409-R412 PolarHBondContact OD2-NH2 2.86Å; D409-S413 VanDerWaalsContact O-CB 3.24Å; D409-S413 WeakPolarHBondContact O-CB 3.5Å; D409-S413 PolarHBondContact O-N 3.36Å; D409-S413 PolarHBondContact O-OG 3.39Å
410	T	98.8	Very high	98.8	Very high	56 Å²	56	45.6 Å²	45.6	34%	0.344	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-48.9	170	-59.3	0	0	0	0	110.6	A406 L407 V408 R412 S413 Y414	A406-T410 WeakPolarHBondContact O-CB 3.23Å; A406-T410 PolarHBondContact O-N 3.35Å; A406-T410 PolarHBondContact O-OG1 2.94Å; L407-T410 WeakPolarHBondContact O-CB 3.43Å; L407-T410 PolarHBondContact O-N 2.75Å; V408-T410 VanDerWaalsContact C-N 3.34Å; V408-T410 PolarHBondContact O-N 2.93Å; T410-R412 PolarHBondContact O-N 3.29Å; T410-S413 PolarHBondContact O-N 3.17Å; T410-Y414 HydrophobicContact CG2-CD2 4.14Å; T410-Y414 WeakPolarHBondContact O-CD2 3.33Å; T410-Y414 PolarHBondContact O-N 2.86Å
411	V	98.9	Very high	98.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-45.5	177.5	179.1	0	0	0	0	110.5	L254 F256 T266 L270 I401 L407 V408 S413 Y414 A415	L254-V411 HydrophobicContact CD2-CB 4.26Å; L254-V411 HydrophobicContact CD2-CG1 3.92Å; F256-V411 HydrophobicContact CZ-CG1 3.8Å; T266-V411 HydrophobicContact CG2-CG2 3.99Å; L270-V411 HydrophobicContact CD2-CG2 4.2Å; L270-V411 HydrophobicContact CG-CG2 4.44Å; I401-V411 HydrophobicContact CD1-CB 4.08Å; I401-V411 HydrophobicContact CD1-CG1 4Å; I401-V411 HydrophobicContact CD1-CG2 3.98Å; L407-V411 HydrophobicContact CD2-CG2 4.07Å; L407-V411 WeakPolarHBondContact O-CG2 3.46Å; L407-V411 PolarHBondContact O-N 3.14Å; V408-V411 PolarHBondContact O-N 3.07Å; V411-S413 PolarHBondContact O-N 3.06Å; V411-Y414 PolarHBondContact O-N 3.14Å; V411-A415 HydrophobicContact CG1-CB 3.91Å; V411-A415 WeakPolarHBondContact O-CB 3.42Å; V411-A415 PolarHBondContact O-N 3.04Å
412	R	98.8	Very high	98.7	Very high	100 Å²	100	52.2 Å²	52.2	38%	0.377	30%	0.3	S	S	.	.	H	α-helix	trans	-53.7	-35.8	174.8	-173.2	-172.4	64.7	62.2	5.4	113.1	L254 V408 D409 T410 F418	L254-R412 HydrophobicContact CD1-CB 3.84Å; L254-R412 HydrophobicContact CD1-CG 3.84Å; L254-R412 HydrophobicContact CD2-CB 3.98Å; V408-R412 WeakPolarHBondContact O-CB 3.44Å; V408-R412 PolarHBondContact O-N 3.32Å; D409-R412 IonicContact OD1-CZ 3.61Å; D409-R412 IonicContact OD1-NE 3.61Å; D409-R412 PolarHBondContact OD1-NE 3.28Å; D409-R412 IonicContact OD1-NH2 2.74Å; D409-R412 PolarHBondContact OD1-NH2 3.43Å; D409-R412 IonicContact OD2-CZ 2.76Å; D409-R412 IonicContact OD2-NH2 2.72Å; D409-R412 PolarHBondContact OD2-NH2 2.86Å; T410-R412 PolarHBondContact O-N 3.29Å; R412-F418 HydrophobicContact CB-CE1 4.39Å; R412-F418 HydrophobicContact CG-CD1 4.4Å; R412-F418 HydrophobicContact CG-CE1 3.6Å; R412-F418 HydrophobicContact CG-CZ 3.94Å; R412-F418 WeakPolarHBondContact O-CD1 3.14Å
413	S	98.8	Very high	98.7	Very high	50 Å²	50	52.7 Å²	52.7	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-94.7	-16.3	-172.4	-56.3	0	0	0	0	114.7	D409 T410 V411	D409-S413 VanDerWaalsContact O-CB 3.24Å; D409-S413 WeakPolarHBondContact O-CB 3.5Å; D409-S413 PolarHBondContact O-N 3.36Å; D409-S413 PolarHBondContact O-OG 3.39Å; T410-S413 PolarHBondContact O-N 3.17Å; V411-S413 PolarHBondContact O-N 3.06Å
414	Y	98.8	Very high	98.7	Very high	157 Å²	157	53.4 Å²	53.4	62%	0.616	31%	0.307	S	S	*	.	H	α-helix	trans	-123.9	-17.9	-176.9	-71.3	-90	0	0	0	115	T410 V411 A416	T410-Y414 HydrophobicContact CG2-CD2 4.14Å; T410-Y414 WeakPolarHBondContact O-CD2 3.33Å; T410-Y414 PolarHBondContact O-N 2.86Å; V411-Y414 PolarHBondContact O-N 3.14Å; Y414-A416 PolarHBondContact O-N 3.41Å; Y414-A416 VanDerWaalsContact O-N 3.17Å
415	A	98.6	Very high	98.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.3	C	S	.	.			trans	-75.6	105.9	-176.2	0	0	0	0	0	112.4	T269 V411 G417 F418 I419	T269-A415 WeakPolarHBondContact OG1-CA 3.23Å; V411-A415 HydrophobicContact CG1-CB 3.91Å; V411-A415 WeakPolarHBondContact O-CB 3.42Å; V411-A415 PolarHBondContact O-N 3.04Å; A415-G417 VanDerWaalsContact C-N 3.27Å; A415-G417 PolarHBondContact O-N 3.17Å; A415-F418 HydrophobicContact CB-CB 4.07Å; A415-F418 WeakPolarHBondContact O-CB 3.31Å; A415-F418 PolarHBondContact O-N 3.5Å; A415-I419 WeakPolarHBondContact O-CG1 3.5Å; A415-I419 PolarHBondContact O-N 3.41Å
416	A	98.5	Very high	98.7	Very high	57 Å²	57	50.7 Å²	50.7	47%	0.471	28%	0.284	S	S	.	.	H	α-helix	trans	-55.6	-39.3	-179.8	0	0	0	0	0	113.4	Y414 F418 I419 F420	Y414-A416 PolarHBondContact O-N 3.41Å; Y414-A416 VanDerWaalsContact O-N 3.17Å; A416-F418 PolarHBondContact O-N 3.09Å; A416-I419 PolarHBondContact O-N 2.85Å; A416-F420 HydrophobicContact CB-CD2 4.04Å; A416-F420 HydrophobicContact CB-CE2 4.39Å; A416-F420 PolarHBondContact O-N 3.02Å
417	G	97.9	Very high	98.7	Very high	30 Å²	30	49.1 Å²	49.1	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-8.9	176.4	0	0	0	0	0	115.5	V261 A415 T421	V261-G417 WeakPolarHBondContact CG1-O 3.28Å; A415-G417 VanDerWaalsContact C-N 3.27Å; A415-G417 PolarHBondContact O-N 3.17Å; G417-T421 WeakPolarHBondContact O-CG2 3.45Å
418	F	98.8	Very high	98.7	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	27%	0.267	C	S	.	.	H	α-helix	trans	-97.2	-42.7	168.4	174.4	-93.8	0	0	0	111.8	R228 L254 V255 F256 R412 A415 A416	R228-F418 HydrophobicContact CB-CE1 4.22Å; R228-F418 HydrophobicContact CB-CZ 4.05Å; R228-F418 HydrophobicContact CG-CE1 4.26Å; R228-F418 HydrophobicContact CG-CE2 4.02Å; R228-F418 HydrophobicContact CG-CZ 3.71Å; L254-F418 HydrophobicContact CD1-CD2 4.25Å; L254-F418 HydrophobicContact CD1-CE1 4.4Å; L254-F418 HydrophobicContact CD1-CE2 3.49Å; L254-F418 VanDerWaalsContact CD1-CE2 3.49Å; L254-F418 HydrophobicContact CD1-CZ 3.59Å; L254-F418 HydrophobicContact CD2-CD2 3.98Å; L254-F418 HydrophobicContact CD2-CE2 4.07Å; L254-F418 HydrophobicContact CD2-CG 4.35Å; L254-F418 HydrophobicContact CG-CD2 3.96Å; L254-F418 HydrophobicContact CG-CE2 3.65Å; L254-F418 HydrophobicContact CG-CZ 4.23Å; V255-F418 WeakPolarHBondContact O-CE2 3.44Å; F256-F418 HydrophobicContact CD1-CB 4.06Å; F256-F418 HydrophobicContact CD1-CD2 4.26Å; F256-F418 HydrophobicContact CE1-CB 3.77Å; F256-F418 HydrophobicContact CE1-CD2 4.31Å; F256-F418 HydrophobicContact CE1-CG 4.48Å; R412-F418 HydrophobicContact CB-CE1 4.39Å; R412-F418 HydrophobicContact CG-CD1 4.4Å; R412-F418 HydrophobicContact CG-CE1 3.6Å; R412-F418 HydrophobicContact CG-CZ 3.94Å; R412-F418 WeakPolarHBondContact O-CD1 3.14Å; A415-F418 HydrophobicContact CB-CB 4.07Å; A415-F418 WeakPolarHBondContact O-CB 3.31Å; A415-F418 PolarHBondContact O-N 3.5Å; A416-F418 PolarHBondContact O-N 3.09Å
419	I	98.8	Very high	98.7	Very high	48 Å²	48	49 Å²	49	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-75.6	-44	-170.9	-61.7	166.1	0	0	0	111.9	A415 A416 T421	A415-I419 WeakPolarHBondContact O-CG1 3.5Å; A415-I419 PolarHBondContact O-N 3.41Å; A416-I419 PolarHBondContact O-N 2.85Å; I419-T421 PolarHBondContact O-N 3.45Å
420	F	98.4	Very high	98.7	Very high	167 Å²	167	45.8 Å²	45.8	73%	0.732	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.5	39.2	-169.6	-56	-70.5	0	0	0	112.8	A416	A416-F420 HydrophobicContact CB-CD2 4.04Å; A416-F420 HydrophobicContact CB-CE2 4.39Å; A416-F420 PolarHBondContact O-N 3.02Å
421	T	98.5	Very high	98.7	Very high	54 Å²	54	43.1 Å²	43.1	33%	0.331	23%	0.233	S	C	.	.	S	Bend	trans	-137.4	152.4	175.6	-161.4	0	0	0	0	111.2	T227 G417 I419	T227-T421 WeakPolarHBondContact CA-O 3.08Å; T227-T421 VanDerWaalsContact CB-O 3.32Å; T227-T421 WeakPolarHBondContact CB-O 3.48Å; T227-T421 WeakPolarHBondContact CG2-O 3.32Å; G417-T421 WeakPolarHBondContact O-CG2 3.45Å; I419-T421 PolarHBondContact O-N 3.45Å
422	T	98.7	Very high	98.7	Very high	85 Å²	85	43.1 Å²	43.1	52%	0.521	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-65.5	136	174.2	-54.2	0	0	0	0	109.5
423	A	98.6	Very high	98.7	Very high	10 Å²	10	39 Å²	39	8%	0.083	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-66.6	158.2	-179.8	0	0	0	0	0	111.8	A224 G226 R228 G232	A224-A423 HydrophobicContact CB-CB 3.91Å; A224-A423 WeakPolarHBondContact CB-O 3.49Å; G226-A423 PolarHBondContact O-N 3.43Å; R228-A423 HydrophobicContact CG-CB 4.24Å; G232-A423 WeakPolarHBondContact O-CB 3.47Å
424	L	98.8	Very high	98.7	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.094	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-67.7	144	-176.7	-83.1	175.4	0	0	0	111.5	H237 V255 L429	H237-L424 PolarHBondContact CE1-O 3.43Å; H237-L424 PolarHBondContact NE2-N 3.43Å; H237-L424 PolarHBondContact NE2-O 3.08Å; V255-L424 HydrophobicContact CG1-CD1 3.81Å; L424-L429 HydrophobicContact CB-CD1 4.16Å; L424-L429 HydrophobicContact CB-CD2 4.17Å; L424-L429 HydrophobicContact CB-CG 4.11Å; L424-L429 HydrophobicContact CD1-CD2 3.95Å
425	P	98.8	Very high	98.7	Very high	34 Å²	34	31.4 Å²	31.4	22%	0.221	18%	0.183	C	C	.	.			trans	-44.3	126.7	171.8	-35.7	40.1	0	0	0	113.5	A222 M427 V428 L429	A222-P425 VanDerWaalsContact O-CB 3.22Å; A222-P425 WeakPolarHBondContact O-CB 3.28Å; P425-M427 HydrophobicContact CB-CE 4.15Å; P425-M427 HydrophobicContact CB-CG 3.93Å; P425-M427 PolarHBondContact O-N 3.09Å; P425-V428 HydrophobicContact CB-CB 4.02Å; P425-V428 HydrophobicContact CB-CG2 3.77Å; P425-V428 HydrophobicContact CG-CG2 4.17Å; P425-V428 PolarHBondContact O-N 3.17Å; P425-L429 PolarHBondContact O-N 2.9Å
426	P	98.8	Very high	98.7	Very high	10 Å²	10	31.4 Å²	31.4	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-53.4	-39	175.7	-27.9	35.9	0	0	0	112.8	H220 F236 V428 L429 A430	H220-P426 HydrophobicContact CB-CB 4.43Å; F236-P426 HydrophobicContact CD2-CB 3.91Å; F236-P426 HydrophobicContact CE2-CB 4.38Å; F236-P426 HydrophobicContact CG-CB 4.47Å; P426-V428 PolarHBondContact O-N 2.8Å; P426-L429 PolarHBondContact O-N 2.94Å; P426-A430 PolarHBondContact O-N 3.06Å
427	M	98.8	Very high	98.7	Very high	39 Å²	39	33.9 Å²	33.9	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-37.4	175.2	60.9	171.4	-175.7	0	0	114.2	I213 A216 L217 A222 P425 A430 G431	I213-M427 WeakPolarHBondContact CG1-O 3.31Å; I213-M427 HydrophobicContact CG2-CB 4.43Å; A216-M427 HydrophobicContact CB-CB 4.23Å; L217-M427 HydrophobicContact CB-CB 4.17Å; L217-M427 HydrophobicContact CB-SD 4.02Å; L217-M427 HydrophobicContact CD1-SD 3.84Å; L217-M427 HydrophobicContact CD2-SD 4.38Å; L217-M427 HydrophobicContact CG-SD 4.29Å; A222-M427 HydrophobicContact CB-CE 3.94Å; P425-M427 HydrophobicContact CB-CE 4.15Å; P425-M427 HydrophobicContact CB-CG 3.93Å; P425-M427 PolarHBondContact O-N 3.09Å; M427-A430 PolarHBondContact O-N 3.12Å; M427-G431 PolarHBondContact O-N 3.46Å; M427-G431 VanDerWaalsContact O-N 3.14Å
428	V	98.8	Very high	98.8	Very high	26 Å²	26	32.6 Å²	32.6	16%	0.158	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-39.8	177.4	167.5	0	0	0	0	110.3	C396 V397 P425 P426 G431 A432	C396-V428 HydrophobicContact CB-CG1 4.43Å; V397-V428 HydrophobicContact CG1-CG1 3.64Å; V397-V428 HydrophobicContact CG1-CG2 4.29Å; V397-V428 WeakPolarHBondContact O-CG1 3Å; P425-V428 HydrophobicContact CB-CB 4.02Å; P425-V428 HydrophobicContact CB-CG2 3.77Å; P425-V428 HydrophobicContact CG-CG2 4.17Å; P425-V428 PolarHBondContact O-N 3.17Å; P426-V428 PolarHBondContact O-N 2.8Å; V428-G431 PolarHBondContact O-N 2.8Å; V428-A432 WeakPolarHBondContact O-CB 3.2Å; V428-A432 PolarHBondContact O-N 2.83Å
429	L	98.9	Very high	98.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.2	-32.4	178.1	-62.7	-180	0	0	0	112.4	F236 H237 M240 V255 L390 L424 P425 P426 A432 L433	F236-L429 HydrophobicContact CB-CB 3.89Å; H237-L429 HydrophobicContact CB-CD1 4.28Å; H237-L429 VanDerWaalsContact CD2-CD1 3.46Å; H237-L429 WeakPolarHBondContact CD2-CD1 3.47Å; H237-L429 VanDerWaalsContact CE1-CD1 3.48Å; H237-L429 WeakPolarHBondContact CE1-CD1 3.3Å; H237-L429 VanDerWaalsContact CG-CD1 3.5Å; H237-L429 WeakPolarHBondContact NE2-CD1 3.13Å; M240-L429 HydrophobicContact CG-CD2 4.4Å; V255-L429 HydrophobicContact CG1-CD2 4.11Å; L390-L429 HydrophobicContact CD1-CD2 4.27Å; L424-L429 HydrophobicContact CB-CD1 4.16Å; L424-L429 HydrophobicContact CB-CD2 4.17Å; L424-L429 HydrophobicContact CB-CG 4.11Å; L424-L429 HydrophobicContact CD1-CD2 3.95Å; P425-L429 PolarHBondContact O-N 2.9Å; P426-L429 PolarHBondContact O-N 2.94Å; L429-A432 PolarHBondContact O-N 3.18Å; L429-L433 WeakPolarHBondContact O-CB 3.49Å; L429-L433 PolarHBondContact O-N 3.46Å
430	A	98.9	Very high	98.8	Very high	8 Å²	8	32 Å²	32	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-48.7	170.8	0	0	0	0	0	111.5	A212 A216 F236 P426 M427 L433 E434	A212-A430 HydrophobicContact CB-CB 4.3Å; A212-A430 VanDerWaalsContact O-CB 3.31Å; A212-A430 WeakPolarHBondContact O-CB 3.28Å; A216-A430 HydrophobicContact CB-CB 3.53Å; F236-A430 HydrophobicContact CD1-CB 3.68Å; F236-A430 HydrophobicContact CE1-CB 3.68Å; P426-A430 PolarHBondContact O-N 3.06Å; M427-A430 PolarHBondContact O-N 3.12Å; A430-L433 PolarHBondContact O-N 3.39Å; A430-E434 PolarHBondContact O-N 2.91Å; A430-E434 VanDerWaalsContact O-N 3.14Å
431	G	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.1	-47	174	0	0	0	0	0	113.2	M427 V428 L433 E434 S435	M427-G431 PolarHBondContact O-N 3.46Å; M427-G431 VanDerWaalsContact O-N 3.14Å; V428-G431 PolarHBondContact O-N 2.8Å; G431-L433 PolarHBondContact O-N 2.83Å; G431-E434 PolarHBondContact O-N 3.44Å; G431-S435 WeakPolarHBondContact O-CB 3.42Å; G431-S435 PolarHBondContact O-N 3.01Å
432	A	98.9	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-38.4	-179.5	0	0	0	0	0	112.5	M240 L390 C396 V428 L429 S435 V436	M240-A432 HydrophobicContact CE-CB 3.97Å; M240-A432 HydrophobicContact SD-CB 4.07Å; L390-A432 HydrophobicContact CB-CB 4.35Å; L390-A432 HydrophobicContact CD1-CB 3.95Å; C396-A432 HydrophobicContact CB-CB 3.94Å; C396-A432 PolarHBondContact SG-N 2.92Å; C396-A432 VanDerWaalsContact SG-N 3.44Å; V428-A432 WeakPolarHBondContact O-CB 3.2Å; V428-A432 PolarHBondContact O-N 2.83Å; L429-A432 PolarHBondContact O-N 3.18Å; A432-S435 PolarHBondContact O-N 3.25Å; A432-V436 WeakPolarHBondContact O-CG2 3.36Å; A432-V436 PolarHBondContact O-N 3.01Å
433	L	98.9	Very high	98.8	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.063	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-46.1	177	179.2	60.7	0	0	0	111.2	M240 E243 L429 A430 G431 V436 R437	M240-L433 VanDerWaalsContact SD-CA 3.52Å; M240-L433 HydrophobicContact SD-CB 3.77Å; M240-L433 HydrophobicContact SD-CD1 4.23Å; M240-L433 PolarHBondContact SD-N 2.73Å; M240-L433 VanDerWaalsContact SD-N 3.43Å; E243-L433 HydrophobicContact CB-CD1 3.54Å; E243-L433 HydrophobicContact CG-CD1 3.66Å; L429-L433 WeakPolarHBondContact O-CB 3.49Å; L429-L433 PolarHBondContact O-N 3.46Å; A430-L433 PolarHBondContact O-N 3.39Å; G431-L433 PolarHBondContact O-N 2.83Å; L433-V436 PolarHBondContact O-N 2.91Å; L433-R437 WeakPolarHBondContact O-CG 3.19Å; L433-R437 PolarHBondContact O-N 2.78Å; L433-R437 VanDerWaalsContact O-N 3.13Å
434	E	98.9	Very high	98.8	Very high	48 Å²	48	26.3 Å²	26.3	22%	0.224	14%	0.138	C	C	.	.	H	α-helix	trans	-68.4	-36.9	176	-172.6	55.2	-158	0	0	111.8	K208 A212 A430 G431 V436 R437 V438	K208-E434 HydrophobicContact CB-CG 3.78Å; A212-E434 HydrophobicContact CB-CB 3.99Å; A212-E434 HydrophobicContact CB-CG 4.48Å; A430-E434 PolarHBondContact O-N 2.91Å; A430-E434 VanDerWaalsContact O-N 3.14Å; G431-E434 PolarHBondContact O-N 3.44Å; E434-V436 PolarHBondContact O-N 2.71Å; E434-R437 PolarHBondContact O-N 2.87Å; E434-V438 WeakPolarHBondContact O-CG2 3.47Å; E434-V438 PolarHBondContact O-N 2.98Å
435	S	98.9	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-39.9	174.4	-170	0	0	0	0	112.5	M203 F394 G431 A432 L439	M203-S435 VanDerWaalsContact CE-OG 3.29Å; M203-S435 WeakPolarHBondContact CE-OG 3.4Å; F394-S435 VanDerWaalsContact CA-OG 3.29Å; F394-S435 WeakPolarHBondContact CA-OG 3.29Å; F394-S435 WeakPolarHBondContact O-CB 3.45Å; F394-S435 PolarHBondContact O-OG 3.25Å; G431-S435 WeakPolarHBondContact O-CB 3.42Å; G431-S435 PolarHBondContact O-N 3.01Å; A432-S435 PolarHBondContact O-N 3.25Å; S435-L439 WeakPolarHBondContact O-CG 3.44Å; S435-L439 PolarHBondContact O-N 2.74Å
436	V	98.9	Very high	98.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.1	-44.3	174.1	166.4	0	0	0	0	110.2	M240 E243 L244 L247 F394 A432 L433 E434 L439 K440	M240-V436 HydrophobicContact CE-CG2 3.64Å; E243-V436 HydrophobicContact CG-CB 4.46Å; E243-V436 HydrophobicContact CG-CG1 3.7Å; L244-V436 HydrophobicContact CD2-CG2 4.41Å; L247-V436 HydrophobicContact CD2-CG1 4.37Å; F394-V436 HydrophobicContact CD1-CB 4.44Å; F394-V436 HydrophobicContact CD1-CG2 3.7Å; F394-V436 HydrophobicContact CD2-CG2 4.44Å; F394-V436 HydrophobicContact CE1-CB 4.24Å; F394-V436 HydrophobicContact CE1-CG2 3.58Å; F394-V436 HydrophobicContact CE2-CG2 4.31Å; F394-V436 HydrophobicContact CG-CG2 4.16Å; F394-V436 HydrophobicContact CZ-CG2 3.9Å; A432-V436 WeakPolarHBondContact O-CG2 3.36Å; A432-V436 PolarHBondContact O-N 3.01Å; L433-V436 PolarHBondContact O-N 2.91Å; E434-V436 PolarHBondContact O-N 2.71Å; V436-L439 PolarHBondContact O-N 3.06Å; V436-K440 HydrophobicContact CG1-CD 3.63Å; V436-K440 HydrophobicContact CG1-CG 4.3Å; V436-K440 WeakPolarHBondContact O-CB 3.48Å; V436-K440 VanDerWaalsContact O-CG 3.23Å; V436-K440 WeakPolarHBondContact O-CG 3.44Å; V436-K440 PolarHBondContact O-N 2.99Å
437	R	98.8	Very high	98.7	Very high	110 Å²	110	30.1 Å²	30.1	42%	0.415	16%	0.158	S	C	.	.	H	α-helix	trans	-63.2	-44.6	178.7	-71.3	166.9	178.2	174.8	-0.1	113	E243 L433 E434 L439 K440 S441	E243-R437 IonicContact OE2-CZ 3.89Å; E243-R437 IonicContact OE2-NE 3.15Å; E243-R437 PolarHBondContact OE2-NE 3.43Å; E243-R437 IonicContact OE2-NH2 2.88Å; E243-R437 PolarHBondContact OE2-NH2 3.19Å; L433-R437 WeakPolarHBondContact O-CG 3.19Å; L433-R437 PolarHBondContact O-N 2.78Å; L433-R437 VanDerWaalsContact O-N 3.13Å; E434-R437 PolarHBondContact O-N 2.87Å; R437-L439 PolarHBondContact O-N 2.91Å; R437-K440 PolarHBondContact O-N 2.79Å; R437-S441 PolarHBondContact O-N 2.98Å
438	V	98.9	Very high	98.7	Very high	3 Å²	3	29 Å²	29	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-47.4	174.3	170.6	0	0	0	0	110.8	M203 K208 E434 K440 S441 E443 G444	M203-V438 HydrophobicContact CE-CB 3.87Å; M203-V438 HydrophobicContact CE-CG1 3.67Å; M203-V438 HydrophobicContact SD-CG1 4.43Å; K208-V438 HydrophobicContact CB-CG2 4.4Å; K208-V438 HydrophobicContact CD-CG2 3.71Å; E434-V438 WeakPolarHBondContact O-CG2 3.47Å; E434-V438 PolarHBondContact O-N 2.98Å; V438-K440 VanDerWaalsContact C-N 3.34Å; V438-K440 PolarHBondContact O-N 2.91Å; V438-S441 WeakPolarHBondContact O-CB 3.38Å; V438-S441 PolarHBondContact O-N 3.12Å; V438-S441 VanDerWaalsContact O-N 3.09Å; V438-S441 PolarHBondContact O-OG 3.06Å; V438-E443 HydrophobicContact CG1-CB 4.39Å; V438-E443 HydrophobicContact CG1-CG 4.07Å; V438-E443 WeakPolarHBondContact CG1-OE2 3.13Å; V438-G444 PolarHBondContact O-N 3.17Å
439	L	98.8	Very high	98.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-72.2	-22.9	-179	-65.6	-167.3	0	0	0	114.2	L201 M203 H369 A393 F394 S435 V436 R437 S441 L447 R448	L201-L439 HydrophobicContact CD1-CD1 3.77Å; L201-L439 HydrophobicContact CD1-CD2 3.57Å; L201-L439 HydrophobicContact CD1-CG 4.36Å; M203-L439 HydrophobicContact CE-CD2 4.37Å; M203-L439 HydrophobicContact CE-CG 4.41Å; M203-L439 HydrophobicContact CG-CD1 4.25Å; M203-L439 HydrophobicContact CG-CD2 4.21Å; M203-L439 HydrophobicContact CG-CG 4.38Å; M203-L439 HydrophobicContact SD-CD2 3.93Å; M203-L439 HydrophobicContact SD-CG 4.46Å; H369-L439 CarbonylContact O-C 3.48Å; A393-L439 HydrophobicContact CB-CD1 4.4Å; F394-L439 HydrophobicContact CD1-CD1 3.67Å; F394-L439 HydrophobicContact CD1-CG 4.36Å; F394-L439 HydrophobicContact CE1-CB 4.19Å; F394-L439 HydrophobicContact CE1-CD1 3.85Å; F394-L439 HydrophobicContact CE1-CG 4.48Å; S435-L439 WeakPolarHBondContact O-CG 3.44Å; S435-L439 PolarHBondContact O-N 2.74Å; V436-L439 PolarHBondContact O-N 3.06Å; R437-L439 PolarHBondContact O-N 2.91Å; L439-S441 VanDerWaalsContact C-N 3.3Å; L439-L447 HydrophobicContact CD2-CD1 3.9Å; L439-R448 VanDerWaalsContact O-CZ 3.31Å; L439-R448 PolarHBondContact O-NH1 3Å; L439-R448 PolarHBondContact O-NH2 3.49Å
440	K	98.6	Very high	98.5	Very high	48 Å²	48	32.2 Å²	32.2	21%	0.209	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-21.2	168.5	-73.1	168.9	71.2	172.3	0	113.4	E243 L247 H369 V436 R437 V438	E243-K440 IonicContact OE1-NZ 3.02Å; E243-K440 PolarHBondContact OE1-NZ 2.87Å; L247-K440 HydrophobicContact CD1-CD 3.97Å; L247-K440 HydrophobicContact CD1-CG 3.75Å; H369-K440 HydrophobicContact CB-CB 4.34Å; H369-K440 HydrophobicContact CB-CG 4.18Å; H369-K440 VanDerWaalsContact O-CA 3.31Å; H369-K440 WeakPolarHBondContact O-CA 3.47Å; V436-K440 HydrophobicContact CG1-CD 3.63Å; V436-K440 HydrophobicContact CG1-CG 4.3Å; V436-K440 WeakPolarHBondContact O-CB 3.48Å; V436-K440 VanDerWaalsContact O-CG 3.23Å; V436-K440 WeakPolarHBondContact O-CG 3.44Å; V436-K440 PolarHBondContact O-N 2.99Å; R437-K440 PolarHBondContact O-N 2.79Å; V438-K440 VanDerWaalsContact C-N 3.34Å; V438-K440 PolarHBondContact O-N 2.91Å
441	S	98.6	Very high	98.5	Very high	35 Å²	35	31.8 Å²	31.8	25%	0.245	16%	0.162	C	C	.	.	S	Bend	trans	-86.5	173.8	-175.7	85.4	0	0	0	0	113.7	R437 V438 L439 E443 G444 Q445	R437-S441 PolarHBondContact O-N 2.98Å; V438-S441 WeakPolarHBondContact O-CB 3.38Å; V438-S441 PolarHBondContact O-N 3.12Å; V438-S441 VanDerWaalsContact O-N 3.09Å; V438-S441 PolarHBondContact O-OG 3.06Å; L439-S441 VanDerWaalsContact C-N 3.3Å; S441-E443 PolarHBondContact O-N 3.09Å; S441-E443 WeakPolarHBondContact OG-CB 3.41Å; S441-E443 PolarHBondContact OG-N 3.03Å; S441-G444 WeakPolarHBondContact O-CA 3.22Å; S441-G444 PolarHBondContact O-N 3.14Å; S441-Q445 PolarHBondContact O-N 3Å
442	P	98.4	Very high	98.4	Very high	92 Å²	92	34 Å²	34	60%	0.597	17%	0.172	S	C	*	.	H	α-helix	trans	-58.3	-22.6	172.2	-25.6	36.3	0	0	0	114.7	Q445 T446	P442-Q445 PolarHBondContact O-N 3.44Å; P442-T446 WeakPolarHBondContact O-CB 3.39Å; P442-T446 PolarHBondContact O-N 3.24Å; P442-T446 PolarHBondContact O-OG1 3.44Å
443	E	98.6	Very high	98.3	Very high	68 Å²	68	41 Å²	41	32%	0.318	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-47.5	171.1	-170.9	170.7	-157.8	0	0	110.1	H206 K208 V438 S441 Q445 T446 L447	H206-E443 IonicContact CE1-OE1 2.7Å; H206-E443 IonicContact NE2-OE1 3.32Å; H206-E443 PolarHBondContact NE2-OE1 3.49Å; K208-E443 IonicContact NZ-OE1 3.47Å; K208-E443 IonicContact NZ-OE2 2.67Å; K208-E443 PolarHBondContact NZ-OE2 3.43Å; V438-E443 HydrophobicContact CG1-CB 4.39Å; V438-E443 HydrophobicContact CG1-CG 4.07Å; V438-E443 WeakPolarHBondContact CG1-OE2 3.13Å; S441-E443 PolarHBondContact O-N 3.09Å; S441-E443 WeakPolarHBondContact OG-CB 3.41Å; S441-E443 PolarHBondContact OG-N 3.03Å; E443-Q445 PolarHBondContact O-N 2.98Å; E443-T446 PolarHBondContact O-N 2.92Å; E443-T446 VanDerWaalsContact O-N 3.17Å; E443-L447 WeakPolarHBondContact O-CG 3.37Å; E443-L447 PolarHBondContact O-N 2.95Å
444	G	98.6	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-40.8	172.6	0	0	0	0	0	114.2	V438 S441 T446 L447 R448	V438-G444 PolarHBondContact O-N 3.17Å; S441-G444 WeakPolarHBondContact O-CA 3.22Å; S441-G444 PolarHBondContact O-N 3.14Å; G444-T446 VanDerWaalsContact C-N 3.3Å; G444-T446 PolarHBondContact O-N 3.23Å; G444-L447 PolarHBondContact O-N 3.44Å; G444-R448 WeakPolarHBondContact O-CB 3.16Å; G444-R448 WeakPolarHBondContact O-CG 3.37Å; G444-R448 PolarHBondContact O-N 2.69Å; G444-R448 PolarHBondContact O-NH1 3.48Å
445	Q	98	Very high	98.1	Very high	38 Å²	38	38.3 Å²	38.3	18%	0.178	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-37.9	174.9	-65.9	178.2	-1.4	0	0	112	A368 S441 P442 E443 R448 R449	A368-Q445 WeakPolarHBondContact O-CG 3.39Å; A368-Q445 PolarHBondContact O-NE2 2.87Å; S441-Q445 PolarHBondContact O-N 3Å; P442-Q445 PolarHBondContact O-N 3.44Å; E443-Q445 PolarHBondContact O-N 2.98Å; Q445-R448 PolarHBondContact O-N 3.35Å; Q445-R449 PolarHBondContact O-N 2.91Å
446	T	98.2	Very high	97.9	Very high	78 Å²	78	40.7 Å²	40.7	48%	0.479	20%	0.197	S	C	.	.	H	α-helix	trans	-69.8	-42.1	177.5	-56.7	0	0	0	0	111.2	P442 E443 G444 R449 A450	P442-T446 WeakPolarHBondContact O-CB 3.39Å; P442-T446 PolarHBondContact O-N 3.24Å; P442-T446 PolarHBondContact O-OG1 3.44Å; E443-T446 PolarHBondContact O-N 2.92Å; E443-T446 VanDerWaalsContact O-N 3.17Å; G444-T446 VanDerWaalsContact C-N 3.3Å; G444-T446 PolarHBondContact O-N 3.23Å; T446-R449 PolarHBondContact O-N 3.18Å; T446-R449 PolarHBondContact OG1-NH2 2.94Å; T446-R449 VanDerWaalsContact OG1-NH2 3.09Å; T446-A450 WeakPolarHBondContact O-CB 3.19Å; T446-A450 PolarHBondContact O-N 3.22Å
447	L	98.6	Very high	97.7	Very high	27 Å²	27	43.6 Å²	43.6	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-43	171.1	-71.7	168.4	0	0	0	111.9	L201 M203 L439 E443 G444 A450 H451 P523	L201-L447 HydrophobicContact CD1-CB 4.26Å; L201-L447 HydrophobicContact CD2-CB 4.33Å; M203-L447 HydrophobicContact SD-CD1 4.14Å; L439-L447 HydrophobicContact CD2-CD1 3.9Å; E443-L447 WeakPolarHBondContact O-CG 3.37Å; E443-L447 PolarHBondContact O-N 2.95Å; G444-L447 PolarHBondContact O-N 3.44Å; L447-A450 PolarHBondContact O-N 3.08Å; L447-H451 VanDerWaalsContact O-CB 3.26Å; L447-H451 WeakPolarHBondContact O-CB 3.29Å; L447-H451 PolarHBondContact O-N 3.33Å; L447-P523 HydrophobicContact CD2-CB 4.34Å; L447-P523 HydrophobicContact CD2-CG 4.27Å; L447-P523 WeakPolarHBondContact O-CG 3.36Å
448	R	98.5	Very high	97.6	Very high	15 Å²	15	38.3 Å²	38.3	6%	0.057	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-48.2	175.4	-77.7	-171.9	-77.7	-71.8	1.3	112.3	G364 L365 G367 A368 L439 G444 Q445 A450 H451 Q452	G364-R448 WeakPolarHBondContact O-CD 3.35Å; G364-R448 WeakPolarHBondContact O-CG 3.41Å; G364-R448 PolarHBondContact O-NH1 2.98Å; L365-R448 WeakPolarHBondContact O-CD 3.34Å; L365-R448 WeakPolarHBondContact O-CG 3.47Å; G367-R448 PolarHBondContact O-NE 3.37Å; A368-R448 PolarHBondContact O-NH2 3.41Å; L439-R448 VanDerWaalsContact O-CZ 3.31Å; L439-R448 PolarHBondContact O-NH1 3Å; L439-R448 PolarHBondContact O-NH2 3.49Å; G444-R448 WeakPolarHBondContact O-CB 3.16Å; G444-R448 WeakPolarHBondContact O-CG 3.37Å; G444-R448 PolarHBondContact O-N 2.69Å; G444-R448 PolarHBondContact O-NH1 3.48Å; Q445-R448 PolarHBondContact O-N 3.35Å; R448-A450 PolarHBondContact O-N 2.91Å; R448-H451 WeakPolarHBondContact O-CB 3.4Å; R448-H451 PolarHBondContact O-N 3.47Å; R448-Q452 WeakPolarHBondContact O-CG 3.46Å; R448-Q452 PolarHBondContact O-N 2.92Å
449	R	96.8	Very high	97.4	Very high	68 Å²	68	38.5 Å²	38.5	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-61.1	-44.5	176.1	-73.2	-175.8	-65.9	-99.5	-1.2	112.2	Q445 T446 H451 R453 F576	Q445-R449 PolarHBondContact O-N 2.91Å; T446-R449 PolarHBondContact O-N 3.18Å; T446-R449 PolarHBondContact OG1-NH2 2.94Å; T446-R449 VanDerWaalsContact OG1-NH2 3.09Å; R449-H451 VanDerWaalsContact C-N 3.35Å; R449-H451 PolarHBondContact O-N 2.84Å; R449-R453 WeakPolarHBondContact O-CB 3.16Å; R449-R453 PolarHBondContact O-N 2.71Å; R449-R453 VanDerWaalsContact O-N 3.08Å; R449-F576 VanDerWaalsContact NH1-CD1 3.32Å
450	A	97.4	Very high	97.1	Very high	25 Å²	25	42 Å²	42	21%	0.207	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-39.7	177.4	0	0	0	0	0	112.4	T446 L447 R448 N454 P523	T446-A450 WeakPolarHBondContact O-CB 3.19Å; T446-A450 PolarHBondContact O-N 3.22Å; L447-A450 PolarHBondContact O-N 3.08Å; R448-A450 PolarHBondContact O-N 2.91Å; A450-N454 WeakPolarHBondContact O-CB 3.42Å; A450-N454 VanDerWaalsContact O-CG 3.24Å; A450-N454 PolarHBondContact O-N 2.92Å; A450-N454 VanDerWaalsContact O-N 3.08Å; A450-N454 PolarHBondContact O-OD1 3.16Å; A450-P523 HydrophobicContact CB-CB 3.92Å; A450-P523 HydrophobicContact CB-CG 4.39Å
451	H	98.7	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-55.9	175.6	-177.1	-142.8	0	0	0	111.6	L201 L447 R448 R449 R453 N454 V455 H475 P521 P523	L201-H451 HydrophobicContact CD2-CB 3.8Å; L447-H451 VanDerWaalsContact O-CB 3.26Å; L447-H451 WeakPolarHBondContact O-CB 3.29Å; L447-H451 PolarHBondContact O-N 3.33Å; R448-H451 WeakPolarHBondContact O-CB 3.4Å; R448-H451 PolarHBondContact O-N 3.47Å; R449-H451 VanDerWaalsContact C-N 3.35Å; R449-H451 PolarHBondContact O-N 2.84Å; H451-R453 VanDerWaalsContact C-N 3.31Å; H451-R453 PolarHBondContact O-N 2.63Å; H451-N454 PolarHBondContact O-N 2.95Å; H451-N454 VanDerWaalsContact O-N 3.14Å; H451-V455 VanDerWaalsContact O-CG2 3.28Å; H451-V455 WeakPolarHBondContact O-CG2 3.3Å; H451-V455 PolarHBondContact O-N 3.13Å; H451-H475 WeakPolarHBondContact CE1-CB 3.07Å; H451-H475 AromaticContact CE1-CD2 3.73Å; H451-H475 AromaticContact CE1-CG 3.47Å; H451-H475 VanDerWaalsContact CE1-CG 3.47Å; H451-H475 AromaticContact NE2-CD2 3.96Å; H451-H475 AromaticContact NE2-CG 3.99Å; H451-P521 PolarHBondContact CD2-O 2.89Å; H451-P521 PolarHBondContact NE2-O 2.97Å; H451-P523 HydrophobicContact CB-CG 3.88Å
452	Q	96.8	Very high	96.8	Very high	45 Å²	45	39.9 Å²	39.9	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-36.6	-177.6	-60.1	-61	-8.1	0	0	112.3	Y366 R448 V455 K456	Y366-Q452 VanDerWaalsContact CE1-NE2 3.31Å; R448-Q452 WeakPolarHBondContact O-CG 3.46Å; R448-Q452 PolarHBondContact O-N 2.92Å; Q452-V455 PolarHBondContact O-N 3.42Å; Q452-K456 WeakPolarHBondContact O-CB 3.31Å; Q452-K456 PolarHBondContact O-N 3.4Å
453	R	96.3	Very high	96.4	Very high	148 Å²	148	37.8 Å²	37.8	56%	0.558	18%	0.18	S	C	*	.	H	α-helix	trans	-61.6	-44.5	173.3	-174.9	-177.4	62.2	93	15	112.3	R449 H451 K456 L457	R449-R453 WeakPolarHBondContact O-CB 3.16Å; R449-R453 PolarHBondContact O-N 2.71Å; R449-R453 VanDerWaalsContact O-N 3.08Å; H451-R453 VanDerWaalsContact C-N 3.31Å; H451-R453 PolarHBondContact O-N 2.63Å; R453-K456 PolarHBondContact O-N 3.49Å; R453-L457 PolarHBondContact O-N 2.87Å
454	N	97.9	Very high	96	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-69.4	-41.1	178.7	-70	5.9	0	0	0	111.8	A450 H451 K456 L457 M458 S522 P523 H525 M530	A450-N454 WeakPolarHBondContact O-CB 3.42Å; A450-N454 VanDerWaalsContact O-CG 3.24Å; A450-N454 PolarHBondContact O-N 2.92Å; A450-N454 VanDerWaalsContact O-N 3.08Å; A450-N454 PolarHBondContact O-OD1 3.16Å; H451-N454 PolarHBondContact O-N 2.95Å; H451-N454 VanDerWaalsContact O-N 3.14Å; N454-K456 VanDerWaalsContact C-N 3.33Å; N454-K456 PolarHBondContact O-N 3.34Å; N454-L457 PolarHBondContact O-N 3.23Å; N454-M458 VanDerWaalsContact O-CB 3.31Å; N454-M458 WeakPolarHBondContact O-CB 3.46Å; N454-M458 PolarHBondContact O-N 3.17Å; N454-S522 PolarHBondContact ND2-O 3.29Å; N454-P523 WeakPolarHBondContact ND2-CA 3.48Å; N454-P523 PolarHBondContact ND2-O 3.16Å; N454-H525 PolarHBondContact ND2-O 2.89Å; N454-M530 HydrophobicContact CB-CE 4.16Å; N454-M530 HydrophobicContact CB-SD 4.38Å
455	V	96.8	Very high	95.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-54.1	-50.3	171	167.8	0	0	0	0	110.7	H451 Q452 M458 R459 H475 I477 P521	H451-V455 VanDerWaalsContact O-CG2 3.28Å; H451-V455 WeakPolarHBondContact O-CG2 3.3Å; H451-V455 PolarHBondContact O-N 3.13Å; Q452-V455 PolarHBondContact O-N 3.42Å; V455-M458 PolarHBondContact O-N 2.77Å; V455-R459 WeakPolarHBondContact O-CB 3.21Å; V455-R459 PolarHBondContact O-N 2.64Å; V455-H475 HydrophobicContact CG2-CB 3.75Å; V455-I477 HydrophobicContact CG1-CD1 4.24Å; V455-I477 HydrophobicContact CG1-CG1 4.34Å; V455-I477 WeakPolarHBondContact O-CD1 3.06Å; V455-P521 HydrophobicContact CB-CG 4.48Å; V455-P521 HydrophobicContact CG2-CG 3.97Å
456	K	93.3	Very high	95.5	Very high	49 Å²	49	43.3 Å²	43.3	21%	0.213	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-46.2	-177.6	-171.6	-172.6	179.4	-169	0	111.8	Q452 R453 N454 R459 Q460 F565 D566	Q452-K456 WeakPolarHBondContact O-CB 3.31Å; Q452-K456 PolarHBondContact O-N 3.4Å; R453-K456 PolarHBondContact O-N 3.49Å; N454-K456 VanDerWaalsContact C-N 3.33Å; N454-K456 PolarHBondContact O-N 3.34Å; K456-R459 PolarHBondContact O-N 2.72Å; K456-Q460 PolarHBondContact O-N 3.38Å; K456-F565 VanDerWaalsContact NZ-C 3.34Å; K456-F565 PolarHBondContact NZ-O 3.48Å; K456-D566 PolarHBondContact NZ-O 3.5Å
457	L	95.3	Very high	95.3	Very high	61 Å²	61	39.8 Å²	39.8	32%	0.319	19%	0.188	S	C	.	.	H	α-helix	trans	-59.7	-49.1	175.3	176.4	58.6	0	0	0	111.2	R453 N454 R459 Q460 L461 P527 M530	R453-L457 PolarHBondContact O-N 2.87Å; N454-L457 PolarHBondContact O-N 3.23Å; L457-R459 PolarHBondContact O-N 3.4Å; L457-Q460 PolarHBondContact O-N 3.43Å; L457-L461 HydrophobicContact CD1-CD1 4.04Å; L457-L461 HydrophobicContact CD1-CG 4.09Å; L457-L461 HydrophobicContact CG-CD1 4.01Å; L457-L461 HydrophobicContact CG-CG 4.49Å; L457-L461 WeakPolarHBondContact O-CG 3.14Å; L457-L461 PolarHBondContact O-N 2.7Å; L457-P527 HydrophobicContact CD2-CB 4.28Å; L457-P527 HydrophobicContact CD2-CG 4.23Å; L457-M530 HydrophobicContact CD2-CE 3.84Å; L457-M530 HydrophobicContact CG-CE 4.48Å
458	M	97.5	Very high	95	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-45.1	179.3	-169.3	64.2	169.5	0	0	112.1	W195 N454 V455 Q460 L461 L462 I477 L519 P521 M530 F533 V534	W195-M458 HydrophobicContact CE3-CE 3.94Å; W195-M458 HydrophobicContact CH2-CE 4.3Å; W195-M458 HydrophobicContact CZ3-CE 3.62Å; W195-M458 HydrophobicContact CZ3-SD 4.19Å; N454-M458 VanDerWaalsContact O-CB 3.31Å; N454-M458 WeakPolarHBondContact O-CB 3.46Å; N454-M458 PolarHBondContact O-N 3.17Å; V455-M458 PolarHBondContact O-N 2.77Å; M458-Q460 VanDerWaalsContact C-N 3.35Å; M458-Q460 PolarHBondContact O-N 3.33Å; M458-L461 PolarHBondContact O-N 2.63Å; M458-L462 HydrophobicContact CG-CD1 4.05Å; M458-L462 VanDerWaalsContact O-CD1 3.31Å; M458-L462 WeakPolarHBondContact O-CD1 3.12Å; M458-L462 VanDerWaalsContact O-CG 3.23Å; M458-L462 WeakPolarHBondContact O-CG 3.33Å; M458-L462 PolarHBondContact O-N 3.22Å; M458-L462 VanDerWaalsContact O-N 3.11Å; M458-I477 HydrophobicContact CB-CD1 3.85Å; M458-I477 HydrophobicContact CG-CD1 3.93Å; M458-L519 HydrophobicContact CE-CD1 3.71Å; M458-L519 HydrophobicContact CE-CD2 4.11Å; M458-L519 HydrophobicContact CG-CD1 4.37Å; M458-P521 HydrophobicContact CB-CB 4.39Å; M458-P521 HydrophobicContact CB-CG 4.11Å; M458-P521 HydrophobicContact CG-CB 4.38Å; M458-P521 HydrophobicContact CG-CG 4.22Å; M458-M530 HydrophobicContact CB-SD 3.9Å; M458-M530 HydrophobicContact CG-SD 4.47Å; M458-M530 HydrophobicContact SD-CB 3.68Å; M458-M530 HydrophobicContact SD-CG 3.62Å; M458-M530 HydrophobicContact SD-SD 4.05Å; M458-F533 HydrophobicContact CE-CB 4.25Å; M458-F533 HydrophobicContact CE-CD1 3.19Å; M458-F533 HydrophobicContact CE-CE1 3.7Å; M458-F533 HydrophobicContact CE-CG 3.78Å; M458-V534 HydrophobicContact CE-CG2 4.21Å; M458-V534 HydrophobicContact SD-CG2 4.18Å
459	R	94.8	Very high	94.8	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.023	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-45.1	177.1	-178.4	174.7	-69.8	128.5	3.2	111.3	V455 K456 L457 L462 M463 V469 C472 S474 I476 I477	V455-R459 WeakPolarHBondContact O-CB 3.21Å; V455-R459 PolarHBondContact O-N 2.64Å; K456-R459 PolarHBondContact O-N 2.72Å; L457-R459 PolarHBondContact O-N 3.4Å; R459-L462 PolarHBondContact O-N 3.09Å; R459-M463 HydrophobicContact CG-SD 3.81Å; R459-M463 VanDerWaalsContact O-CG 3.29Å; R459-M463 WeakPolarHBondContact O-CG 3.47Å; R459-M463 PolarHBondContact O-N 3.33Å; R459-V469 HydrophobicContact CG-CG1 4.39Å; R459-C472 PolarHBondContact NE-O 3.34Å; R459-C472 PolarHBondContact NH1-O 2.87Å; R459-C472 PolarHBondContact NH2-O 3.38Å; R459-C472 VanDerWaalsContact NH2-O 3.14Å; R459-S474 PolarHBondContact NH1-O 3.18Å; R459-S474 PolarHBondContact NH2-O 2.88Å; R459-I476 PolarHBondContact NH2-O 3.24Å; R459-I477 HydrophobicContact CB-CD1 4.07Å
460	Q	91.3	Very high	94.3	Very high	76 Å²	76	37.1 Å²	37.1	36%	0.355	18%	0.182	S	C	.	.	H	α-helix	trans	-63	-50.3	177.9	-166.3	64.5	54	0	0	111.5	K456 L457 M458 L462 M463 D464	K456-Q460 PolarHBondContact O-N 3.38Å; L457-Q460 PolarHBondContact O-N 3.43Å; M458-Q460 VanDerWaalsContact C-N 3.35Å; M458-Q460 PolarHBondContact O-N 3.33Å; Q460-L462 PolarHBondContact O-N 2.61Å; Q460-M463 PolarHBondContact O-N 3.06Å; Q460-M463 VanDerWaalsContact O-N 3.07Å; Q460-D464 PolarHBondContact NE2-OD1 2.9Å; Q460-D464 WeakPolarHBondContact O-CB 3Å; Q460-D464 PolarHBondContact O-N 3.31Å
461	L	94.8	Very high	93.5	Very high	38 Å²	38	36.3 Å²	36.3	20%	0.199	17%	0.174	C	C	.	.	H	α-helix	trans	-56.3	-36.2	179.2	-70.7	171.1	0	0	0	113	L457 M458 K465 M530 E531 V534	L457-L461 HydrophobicContact CD1-CD1 4.04Å; L457-L461 HydrophobicContact CD1-CG 4.09Å; L457-L461 HydrophobicContact CG-CD1 4.01Å; L457-L461 HydrophobicContact CG-CG 4.49Å; L457-L461 WeakPolarHBondContact O-CG 3.14Å; L457-L461 PolarHBondContact O-N 2.7Å; M458-L461 PolarHBondContact O-N 2.63Å; L461-K465 WeakPolarHBondContact O-CG 3.3Å; L461-M530 HydrophobicContact CD1-CB 4.08Å; L461-E531 HydrophobicContact CD1-CG 4.35Å; L461-V534 HydrophobicContact CB-CG2 4.07Å
462	L	95.4	Very high	92.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.6	-43	176.2	-66.8	160.2	0	0	0	112.2	M458 R459 Q460 K465 L467 V469 I477 I479 L519 F533 V534 L537	M458-L462 HydrophobicContact CG-CD1 4.05Å; M458-L462 VanDerWaalsContact O-CD1 3.31Å; M458-L462 WeakPolarHBondContact O-CD1 3.12Å; M458-L462 VanDerWaalsContact O-CG 3.23Å; M458-L462 WeakPolarHBondContact O-CG 3.33Å; M458-L462 PolarHBondContact O-N 3.22Å; M458-L462 VanDerWaalsContact O-N 3.11Å; R459-L462 PolarHBondContact O-N 3.09Å; Q460-L462 PolarHBondContact O-N 2.61Å; L462-K465 PolarHBondContact O-N 3.03Å; L462-L467 HydrophobicContact CB-CD1 4.39Å; L462-L467 HydrophobicContact CD2-CD1 3.51Å; L462-L467 PolarHBondContact O-N 2.95Å; L462-V469 HydrophobicContact CB-CG2 3.53Å; L462-V469 HydrophobicContact CD1-CG2 4.39Å; L462-I477 HydrophobicContact CD1-CG2 3.8Å; L462-I479 HydrophobicContact CD1-CD1 4.17Å; L462-I479 HydrophobicContact CD2-CD1 3.83Å; L462-L519 HydrophobicContact CD1-CD1 3.5Å; L462-L519 VanDerWaalsContact CD1-CD1 3.5Å; L462-L519 HydrophobicContact CD2-CD1 4.37Å; L462-F533 HydrophobicContact CD2-CE1 4.45Å; L462-V534 HydrophobicContact CD2-CG2 3.78Å; L462-V534 HydrophobicContact CG-CG2 4.05Å; L462-L537 HydrophobicContact CD2-CD2 3.88Å
463	M	91.4	Very high	92.3	Very high	48 Å²	48	37 Å²	37	24%	0.236	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-38.4	178.7	-71.5	175.7	67.5	0	0	112	R459 Q460 K465 G466 V469	R459-M463 HydrophobicContact CG-SD 3.81Å; R459-M463 VanDerWaalsContact O-CG 3.29Å; R459-M463 WeakPolarHBondContact O-CG 3.47Å; R459-M463 PolarHBondContact O-N 3.33Å; Q460-M463 PolarHBondContact O-N 3.06Å; Q460-M463 VanDerWaalsContact O-N 3.07Å; M463-K465 PolarHBondContact O-N 3.41Å; M463-G466 PolarHBondContact O-N 2.9Å; M463-V469 HydrophobicContact CG-CB 4.08Å; M463-V469 HydrophobicContact CG-CG2 4.07Å
464	D	90.3	Very high	92.2	Very high	97 Å²	97	29.9 Å²	29.9	52%	0.519	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.2	176.8	-66.1	-16.7	0	0	0	112.9	Q460	Q460-D464 PolarHBondContact NE2-OD1 2.9Å; Q460-D464 WeakPolarHBondContact O-CB 3Å; Q460-D464 PolarHBondContact O-N 3.31Å
465	K	92.3	Very high	92.2	Very high	115 Å²	115	29.8 Å²	29.8	50%	0.5	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.6	172.2	-61.6	-60.7	-178	-175.2	0	113.9	L461 L462 M463 L467 V534 M538	L461-K465 WeakPolarHBondContact O-CG 3.3Å; L462-K465 PolarHBondContact O-N 3.03Å; M463-K465 PolarHBondContact O-N 3.41Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-V534 HydrophobicContact CG-CG1 3.67Å; K465-M538 HydrophobicContact CB-CE 4.02Å; K465-M538 HydrophobicContact CB-CG 3.99Å; K465-M538 HydrophobicContact CB-SD 3.73Å; K465-M538 HydrophobicContact CG-CG 4.12Å; K465-M538 WeakPolarHBondContact O-CE 3.22Å
466	G	92.7	Very high	92.3	Very high	10 Å²	10	29.7 Å²	29.7	10%	0.103	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	17	-178.2	0	0	0	0	0	114.5	M463 L548 N549	M463-G466 PolarHBondContact O-N 2.9Å; G466-L548 CarbonylContact O-C 3.56Å; G466-L548 WeakPolarHBondContact O-CA 3.34Å; G466-N549 PolarHBondContact O-N 3.41Å
467	L	94.5	Very high	92.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	14%	0.144	C	C	.	.			trans	-66.6	146.1	175	-74.1	162.7	0	0	0	110.6	L462 K465 V469 I479 L537 M538 W541 L548	L462-L467 HydrophobicContact CB-CD1 4.39Å; L462-L467 HydrophobicContact CD2-CD1 3.51Å; L462-L467 PolarHBondContact O-N 2.95Å; K465-L467 VanDerWaalsContact C-N 3.33Å; L467-V469 HydrophobicContact CB-CG2 4.43Å; L467-V469 PolarHBondContact O-N 3.44Å; L467-I479 HydrophobicContact CB-CG2 4.43Å; L467-L537 HydrophobicContact CD1-CD2 3.68Å; L467-L537 HydrophobicContact CD1-CG 4.16Å; L467-M538 HydrophobicContact CD1-CG 4.33Å; L467-M538 HydrophobicContact CD1-SD 3.81Å; L467-M538 HydrophobicContact CD2-SD 3.72Å; L467-M538 HydrophobicContact CG-SD 3.57Å; L467-M538 VanDerWaalsContact CG-SD 3.57Å; L467-W541 HydrophobicContact CD2-CB 4.38Å; L467-W541 HydrophobicContact CD2-CD2 3.56Å; L467-W541 HydrophobicContact CD2-CE3 3.91Å; L467-W541 HydrophobicContact CD2-CG 3.78Å; L467-W541 HydrophobicContact CD2-CZ2 4.46Å; L467-W541 HydrophobicContact CD2-CZ3 4.47Å; L467-L548 HydrophobicContact CD2-CD2 3.97Å; L467-L548 HydrophobicContact CG-CD2 4.35Å
468	P	93.1	Very high	92.5	Very high	17 Å²	17	24.5 Å²	24.5	11%	0.11	13%	0.129	C	C	.	.			trans	-76.9	64.8	-179.5	32.8	-37.2	0	0	0	112.1	V470 I479 R480 W541	P468-V470 PolarHBondContact O-N 2.92Å; P468-I479 HydrophobicContact CG-CG2 4.11Å; P468-I479 WeakPolarHBondContact O-CA 3.04Å; P468-R480 WeakPolarHBondContact CG-O 3.31Å; P468-R480 PolarHBondContact O-N 3.4Å; P468-W541 HydrophobicContact CG-CH2 3.77Å; P468-W541 HydrophobicContact CG-CZ2 3.43Å; P468-W541 VanDerWaalsContact CG-CZ2 3.43Å
469	V	92.7	Very high	92.5	Very high	15 Å²	15	24.5 Å²	24.5	9%	0.091	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-66.3	126.3	172.1	-176.8	0	0	0	0	109.1	R459 L462 M463 L467 N471 I477 P478 I479	R459-V469 HydrophobicContact CG-CG1 4.39Å; L462-V469 HydrophobicContact CB-CG2 3.53Å; L462-V469 HydrophobicContact CD1-CG2 4.39Å; M463-V469 HydrophobicContact CG-CB 4.08Å; M463-V469 HydrophobicContact CG-CG2 4.07Å; L467-V469 HydrophobicContact CB-CG2 4.43Å; L467-V469 PolarHBondContact O-N 3.44Å; V469-N471 PolarHBondContact O-N 3.46Å; V469-I477 HydrophobicContact CG1-CG2 3.76Å; V469-P478 WeakPolarHBondContact CA-O 3.38Å; V469-I479 HydrophobicContact CG2-CG1 4.49Å
470	V	87.1	Confident	92.6	Very high	22 Å²	22	29.3 Å²	29.3	13%	0.133	15%	0.147	C	C	.	.			trans	-69.6	119.2	169.6	175.3	0	0	0	0	107.7	P468 C472 P478 R480 F558	P468-V470 PolarHBondContact O-N 2.92Å; V470-C472 PolarHBondContact O-N 2.92Å; V470-P478 HydrophobicContact CB-CB 3.95Å; V470-P478 HydrophobicContact CB-CG 3.84Å; V470-P478 HydrophobicContact CG1-CG 4.26Å; V470-P478 HydrophobicContact CG2-CB 4.01Å; V470-P478 HydrophobicContact CG2-CG 4.41Å; V470-P478 PolarHBondContact N-O 3.48Å; V470-R480 HydrophobicContact CG2-CB 4.32Å; V470-F558 HydrophobicContact CG1-CE2 3.79Å; V470-F558 HydrophobicContact CG1-CZ 4.13Å
471	N	80.8	Confident	92.8	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	14%	0.136	C	C	.	.			trans	-82.5	102.2	-170.5	-170.6	18.6	0	0	0	111.4	V469 S555 N557 L563	V469-N471 PolarHBondContact O-N 3.46Å; N471-S555 PolarHBondContact ND2-O 3.25Å; N471-N557 WeakPolarHBondContact CB-OD1 3.45Å; N471-N557 PolarHBondContact N-ND2 3.07Å; N471-N557 PolarHBondContact O-N 3.16Å; N471-L563 VanDerWaalsContact ND2-CD1 3.34Å; N471-L563 WeakPolarHBondContact ND2-CD1 3.46Å; N471-L563 WeakPolarHBondContact OD1-CD1 3.42Å; N471-L563 WeakPolarHBondContact OD1-CD2 3.45Å
472	C	82.4	Confident	92.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.			trans	-139.2	155.7	-171.4	67.7	0	0	0	0	112.6	D335 G336 R459 V470 I476 F558	D335-C472 VanDerWaalsContact O-CB 3.32Å; D335-C472 WeakPolarHBondContact O-CB 3.04Å; D335-C472 PolarHBondContact O-SG 2.91Å; G336-C472 WeakPolarHBondContact O-CB 3.04Å; R459-C472 PolarHBondContact NE-O 3.34Å; R459-C472 PolarHBondContact NH1-O 2.87Å; R459-C472 PolarHBondContact NH2-O 3.38Å; R459-C472 VanDerWaalsContact NH2-O 3.14Å; V470-C472 PolarHBondContact O-N 2.92Å; C472-I476 PolarHBondContact SG-O 3.46Å; C472-I476 VanDerWaalsContact SG-O 3.34Å; C472-F558 HydrophobicContact CB-CD2 4.33Å; C472-F558 HydrophobicContact CB-CE2 4.21Å
473	P	87.3	Confident	92.7	Very high	59 Å²	59	29.3 Å²	29.3	38%	0.383	16%	0.158	S	C	.	.	S	Bend	trans	-88.6	-9.9	-169.7	33.2	-34.9	0	0	0	115.3	I338	I338-P473 HydrophobicContact CB-CG 4.05Å; I338-P473 HydrophobicContact CD1-CG 4.24Å; I338-P473 HydrophobicContact CG1-CG 3.96Å
474	S	95	Very high	92.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-82	-175.4	-175.2	76.4	0	0	0	0	114.4	G336 Y366 R459 I476	G336-S474 VanDerWaalsContact C-OG 3.29Å; G336-S474 WeakPolarHBondContact CA-OG 3.11Å; G336-S474 WeakPolarHBondContact O-CB 3.42Å; G336-S474 PolarHBondContact O-N 2.94Å; G336-S474 PolarHBondContact O-OG 2.87Å; Y366-S474 WeakPolarHBondContact OH-CA 3.2Å; Y366-S474 VanDerWaalsContact OH-CB 3.31Å; Y366-S474 WeakPolarHBondContact OH-CB 3.35Å; R459-S474 PolarHBondContact NH1-O 3.18Å; R459-S474 PolarHBondContact NH2-O 2.88Å; S474-I476 VanDerWaalsContact C-N 3.26Å; S474-I476 PolarHBondContact OG-N 2.93Å; S474-I476 VanDerWaalsContact OG-N 3.12Å
475	H	97.6	Very high	93.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-73.2	-11	169.8	69	-81.3	0	0	0	114.7	Y200 H361 L365 Y366 H451 V455	Y200-H475 AromaticContact CD1-CD2 3.72Å; Y200-H475 AromaticContact CD1-NE2 3.81Å; Y200-H475 AromaticContact CE1-CD2 3.68Å; Y200-H475 AromaticContact CE1-NE2 3.4Å; Y200-H475 WeakPolarHBondContact CE1-NE2 3.44Å; Y200-H475 AromaticContact CE2-NE2 3.63Å; Y200-H475 AromaticContact CZ-NE2 3.28Å; Y200-H475 VanDerWaalsContact CZ-NE2 3.28Å; H361-H475 PolarHBondContact O-CE1 2.8Å; L365-H475 WeakPolarHBondContact CD1-CE1 3.48Å; Y366-H475 AromaticContact CE2-ND1 3.97Å; Y366-H475 AromaticContact CZ-ND1 3.83Å; Y366-H475 PolarHBondContact OH-N 3.09Å; Y366-H475 PolarHBondContact OH-ND1 3.16Å; H451-H475 WeakPolarHBondContact CE1-CB 3.07Å; H451-H475 AromaticContact CE1-CD2 3.73Å; H451-H475 AromaticContact CE1-CG 3.47Å; H451-H475 VanDerWaalsContact CE1-CG 3.47Å; H451-H475 AromaticContact NE2-CD2 3.96Å; H451-H475 AromaticContact NE2-CG 3.99Å; V455-H475 HydrophobicContact CG2-CB 3.75Å
476	I	97.9	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.			trans	-84.1	139.3	178.3	-55.9	165.6	0	0	0	107.8	V331 H332 R459 C472 S474 P478 R518	V331-I476 HydrophobicContact CG1-CD1 4.15Å; H332-I476 WeakPolarHBondContact O-CD1 3.28Å; R459-I476 PolarHBondContact NH2-O 3.24Å; C472-I476 PolarHBondContact SG-O 3.46Å; C472-I476 VanDerWaalsContact SG-O 3.34Å; S474-I476 VanDerWaalsContact C-N 3.26Å; S474-I476 PolarHBondContact OG-N 2.93Å; S474-I476 VanDerWaalsContact OG-N 3.12Å; I476-P478 HydrophobicContact CG2-CG 4.44Å; I476-R518 VanDerWaalsContact CD1-NH2 3.34Å; I476-R518 HydrophobicContact CG2-CG 3.94Å
477	I	97.6	Very high	93.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	97.4	176.6	-54.5	170.9	0	0	0	108	V455 M458 R459 L462 V469 L519 P521	V455-I477 HydrophobicContact CG1-CD1 4.24Å; V455-I477 HydrophobicContact CG1-CG1 4.34Å; V455-I477 WeakPolarHBondContact O-CD1 3.06Å; M458-I477 HydrophobicContact CB-CD1 3.85Å; M458-I477 HydrophobicContact CG-CD1 3.93Å; R459-I477 HydrophobicContact CB-CD1 4.07Å; L462-I477 HydrophobicContact CD1-CG2 3.8Å; V469-I477 HydrophobicContact CG1-CG2 3.76Å; I477-L519 HydrophobicContact CB-CB 3.94Å; I477-L519 PolarHBondContact N-O 3.44Å; I477-L519 VanDerWaalsContact N-O 3.08Å; I477-L519 WeakPolarHBondContact O-CB 3.35Å; I477-L519 PolarHBondContact O-N 3.44Å; I477-P521 HydrophobicContact CD1-CG 3.94Å
478	P	96.8	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.5	174.9	1.4	16.8	0	0	0	110.1	M334 D335 V469 V470 I476 L516 L517	M334-P478 WeakPolarHBondContact O-CG 3.48Å; D335-P478 VanDerWaalsContact C-CG 3.48Å; D335-P478 WeakPolarHBondContact O-CG 3.41Å; V469-P478 WeakPolarHBondContact CA-O 3.38Å; V470-P478 HydrophobicContact CB-CB 3.95Å; V470-P478 HydrophobicContact CB-CG 3.84Å; V470-P478 HydrophobicContact CG1-CG 4.26Å; V470-P478 HydrophobicContact CG2-CB 4.01Å; V470-P478 HydrophobicContact CG2-CG 4.41Å; V470-P478 PolarHBondContact N-O 3.48Å; I476-P478 HydrophobicContact CG2-CG 4.44Å; P478-L516 HydrophobicContact CB-CD1 4.21Å; P478-L516 HydrophobicContact CB-CD2 4.01Å; P478-L517 WeakPolarHBondContact CA-O 3.22Å
479	I	97.1	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115	172.1	-49.2	176.8	0	0	0	107.5	L462 L467 P468 V469 L516 L517 L519 L537 W541	L462-I479 HydrophobicContact CD1-CD1 4.17Å; L462-I479 HydrophobicContact CD2-CD1 3.83Å; L467-I479 HydrophobicContact CB-CG2 4.43Å; P468-I479 HydrophobicContact CG-CG2 4.11Å; P468-I479 WeakPolarHBondContact O-CA 3.04Å; V469-I479 HydrophobicContact CG2-CG1 4.49Å; I479-L516 CarbonylContact O-C 3.57Å; I479-L516 VanDerWaalsContact O-CA 3.23Å; I479-L516 WeakPolarHBondContact O-CA 3.31Å; I479-L516 VanDerWaalsContact O-CB 3.3Å; I479-L516 WeakPolarHBondContact O-CB 3.42Å; I479-L517 HydrophobicContact CB-CB 4.36Å; I479-L517 PolarHBondContact N-O 3.46Å; I479-L517 PolarHBondContact O-N 3.01Å; I479-L519 HydrophobicContact CD1-CD1 3.96Å; I479-L537 HydrophobicContact CD1-CD2 3.59Å; I479-W541 HydrophobicContact CG2-CH2 3.85Å; I479-W541 HydrophobicContact CG2-CZ3 3.95Å
480	R	95.8	Very high	94.2	Very high	107 Å²	107	29.4 Å²	29.4	40%	0.404	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.6	-172.7	-175.9	-179.5	-178.5	133	8.1	111.1	P468 V470 G513 E514	P468-R480 WeakPolarHBondContact CG-O 3.31Å; P468-R480 PolarHBondContact O-N 3.4Å; V470-R480 HydrophobicContact CG2-CB 4.32Å; R480-G513 PolarHBondContact NH2-O 3.22Å; R480-E514 IonicContact CZ-OE1 3.23Å; R480-E514 IonicContact CZ-OE2 2.69Å; R480-E514 IonicContact NE-OE2 3.12Å; R480-E514 IonicContact NH1-OE1 3.67Å; R480-E514 PolarHBondContact NH1-OE1 2.91Å; R480-E514 IonicContact NH1-OE2 2.76Å; R480-E514 PolarHBondContact NH1-OE2 3.17Å; R480-E514 IonicContact NH2-OE1 3.78Å; R480-E514 PolarHBondContact NH2-OE1 3.3Å; R480-E514 IonicContact NH2-OE2 2.88Å; R480-E514 PolarHBondContact NH2-OE2 3.01Å
481	V	96.4	Very high	94.7	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.115	15%	0.15	C	C	.	.			trans	-105.7	-37.2	173.1	-175	0	0	0	0	111.2	N483 L486 N487 E515 L517 W541 L546	V481-N483 PolarHBondContact O-N 2.94Å; V481-L486 HydrophobicContact CG1-CB 4.17Å; V481-N487 HydrophobicContact CB-CB 3.97Å; V481-N487 HydrophobicContact CG1-CB 3.91Å; V481-N487 HydrophobicContact CG2-CB 4.17Å; V481-N487 WeakPolarHBondContact CG2-OD1 3.29Å; V481-E515 WeakPolarHBondContact CA-O 3.23Å; V481-E515 PolarHBondContact N-O 3.25Å; V481-L517 HydrophobicContact CG2-CG 4.23Å; V481-W541 HydrophobicContact CG2-CH2 3.81Å; V481-W541 HydrophobicContact CG2-CZ3 3.89Å; V481-L546 HydrophobicContact CG1-CD1 3.93Å; V481-L546 HydrophobicContact CG1-CD2 3.94Å
482	G	92.8	Very high	95.5	Very high	31 Å²	31	30.1 Å²	30.1	32%	0.32	16%	0.159	S	C	.	.			trans	67.5	13.6	176.7	0	0	0	0	0	115.7	G513 E515	G482-G513 WeakPolarHBondContact CA-O 3.46Å; G482-E515 PolarHBondContact N-O 3.06Å
483	N	95.9	Very high	96.2	Very high	65 Å²	65	31.2 Å²	31.2	35%	0.348	17%	0.165	S	C	.	.			trans	-149.5	125.4	174.7	178.9	-65.9	0	0	0	110	V481 E485 L486 N487 E515	V481-N483 PolarHBondContact O-N 2.94Å; N483-E485 PolarHBondContact O-N 3.5Å; N483-E485 WeakPolarHBondContact OD1-CB 3.31Å; N483-E485 PolarHBondContact OD1-N 3.26Å; N483-L486 HydrophobicContact CB-CB 4.26Å; N483-L486 HydrophobicContact CB-CD1 4.2Å; N483-L486 HydrophobicContact CB-CG 4.25Å; N483-L486 PolarHBondContact OD1-N 3.42Å; N483-N487 WeakPolarHBondContact O-CB 3.45Å; N483-N487 PolarHBondContact O-N 3.03Å; N483-E515 PolarHBondContact N-OE2 3.03Å
484	A	93.2	Very high	96.7	Very high	10 Å²	10	28.4 Å²	28.4	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-37.5	-175.6	0	0	0	0	0	114.4	H161 T488 N506 E515	H161-A484 HydrophobicContact CB-CB 4.11Å; A484-T488 WeakPolarHBondContact O-CB 3.4Å; A484-T488 PolarHBondContact O-N 3.45Å; A484-T488 VanDerWaalsContact O-N 3.16Å; A484-T488 PolarHBondContact O-OG1 2.67Å; A484-N506 HydrophobicContact CB-CB 4.29Å; A484-N506 PolarHBondContact O-ND2 3.21Å; A484-N506 VanDerWaalsContact O-ND2 3.12Å; A484-E515 HydrophobicContact CB-CG 4.05Å
485	E	95.9	Very high	96.8	Very high	106 Å²	106	28.5 Å²	28.5	50%	0.495	15%	0.147	S	C	.	.	H	α-helix	trans	-69.4	-50.7	179.3	-175.5	-179.4	-152.5	0	0	110.7	H161 N483 N487 T488 K489	H161-E485 IonicContact CE1-OE1 2.73Å; N483-E485 PolarHBondContact O-N 3.5Å; N483-E485 WeakPolarHBondContact OD1-CB 3.31Å; N483-E485 PolarHBondContact OD1-N 3.26Å; E485-N487 VanDerWaalsContact C-N 3.35Å; E485-N487 PolarHBondContact O-N 3.25Å; E485-T488 PolarHBondContact O-N 2.92Å; E485-K489 WeakPolarHBondContact O-CB 3.5Å; E485-K489 PolarHBondContact O-N 2.92Å
486	L	97.1	Very high	96.7	Very high	49 Å²	49	32 Å²	32	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-65.2	-37.9	179.7	-57.5	-179.2	0	0	0	111.8	V481 N483 T488 K489 V490 V544 L546	V481-L486 HydrophobicContact CG1-CB 4.17Å; N483-L486 HydrophobicContact CB-CB 4.26Å; N483-L486 HydrophobicContact CB-CD1 4.2Å; N483-L486 HydrophobicContact CB-CG 4.25Å; N483-L486 PolarHBondContact OD1-N 3.42Å; L486-T488 PolarHBondContact O-N 3.38Å; L486-K489 PolarHBondContact O-N 3.21Å; L486-V490 WeakPolarHBondContact O-CG2 3.39Å; L486-V490 PolarHBondContact O-N 2.95Å; L486-V544 HydrophobicContact CB-CG1 4.17Å; L486-V544 HydrophobicContact CD2-CG1 3.83Å; L486-V544 HydrophobicContact CG-CG1 4.48Å; L486-L546 HydrophobicContact CB-CD2 4.15Å; L486-L546 HydrophobicContact CD1-CD2 3.7Å
487	N	98	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-46.6	175.2	-167.4	22.9	0	0	0	111.2	V481 N483 E485 V490 S491 A504 I505 N506 E515 L516 L517	V481-N487 HydrophobicContact CB-CB 3.97Å; V481-N487 HydrophobicContact CG1-CB 3.91Å; V481-N487 HydrophobicContact CG2-CB 4.17Å; V481-N487 WeakPolarHBondContact CG2-OD1 3.29Å; N483-N487 WeakPolarHBondContact O-CB 3.45Å; N483-N487 PolarHBondContact O-N 3.03Å; E485-N487 VanDerWaalsContact C-N 3.35Å; E485-N487 PolarHBondContact O-N 3.25Å; N487-V490 PolarHBondContact O-N 3.19Å; N487-S491 WeakPolarHBondContact O-CB 3.34Å; N487-S491 PolarHBondContact O-N 2.88Å; N487-S491 VanDerWaalsContact O-N 3.09Å; N487-A504 HydrophobicContact CB-CB 4.2Å; N487-A504 WeakPolarHBondContact O-CB 3.47Å; N487-I505 PolarHBondContact ND2-N 3.42Å; N487-I505 PolarHBondContact ND2-O 3.02Å; N487-N506 PolarHBondContact ND2-OD1 3.43Å; N487-E515 HydrophobicContact CB-CB 4.4Å; N487-L516 PolarHBondContact ND2-N 3.19Å; N487-L516 PolarHBondContact ND2-O 3.02Å; N487-L516 PolarHBondContact OD1-O 3.46Å; N487-L517 VanDerWaalsContact OD1-CD2 3.25Å; N487-L517 WeakPolarHBondContact OD1-CD2 3.47Å; N487-L517 WeakPolarHBondContact OD1-CG 3.36Å
488	T	97.3	Very high	96.5	Very high	46 Å²	46	39.6 Å²	39.6	28%	0.282	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-45.6	175.9	-49.5	0	0	0	0	110.9	A484 E485 L486 V490 S491 D492 N506	A484-T488 WeakPolarHBondContact O-CB 3.4Å; A484-T488 PolarHBondContact O-N 3.45Å; A484-T488 VanDerWaalsContact O-N 3.16Å; A484-T488 PolarHBondContact O-OG1 2.67Å; E485-T488 PolarHBondContact O-N 2.92Å; L486-T488 PolarHBondContact O-N 3.38Å; T488-V490 PolarHBondContact O-N 3.02Å; T488-S491 WeakPolarHBondContact O-CB 3.29Å; T488-S491 PolarHBondContact O-N 2.92Å; T488-D492 WeakPolarHBondContact O-CB 3.42Å; T488-D492 VanDerWaalsContact O-CG 3.24Å; T488-D492 PolarHBondContact O-N 3.38Å; T488-N506 PolarHBondContact OG1-ND2 2.99Å
489	K	97.6	Very high	96.5	Very high	97 Å²	97	42.3 Å²	42.3	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-59.5	-41.5	178.4	-173.4	178.7	176.8	-171.5	0	112.9	E485 L486 I493 V544	E485-K489 WeakPolarHBondContact O-CB 3.5Å; E485-K489 PolarHBondContact O-N 2.92Å; L486-K489 PolarHBondContact O-N 3.21Å; K489-I493 HydrophobicContact CG-CD1 3.84Å; K489-I493 WeakPolarHBondContact O-CB 3.49Å; K489-I493 VanDerWaalsContact O-CG1 3.23Å; K489-I493 WeakPolarHBondContact O-CG1 3.41Å; K489-I493 PolarHBondContact O-N 3.13Å; K489-V544 HydrophobicContact CD-CG1 4.21Å; K489-V544 HydrophobicContact CD-CG2 4.13Å; K489-V544 HydrophobicContact CG-CG2 4.14Å
490	V	98.3	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-44.9	175.2	173.7	0	0	0	0	111.3	L486 N487 T488 D492 L494 L517 L537 V540 V544 L546	L486-V490 WeakPolarHBondContact O-CG2 3.39Å; L486-V490 PolarHBondContact O-N 2.95Å; N487-V490 PolarHBondContact O-N 3.19Å; T488-V490 PolarHBondContact O-N 3.02Å; V490-D492 VanDerWaalsContact C-N 3.33Å; V490-D492 PolarHBondContact O-N 3.27Å; V490-L494 HydrophobicContact CG1-CD1 3.84Å; V490-L494 HydrophobicContact CG1-CG 4.5Å; V490-L494 WeakPolarHBondContact O-CB 3.4Å; V490-L494 WeakPolarHBondContact O-CG 3.45Å; V490-L494 PolarHBondContact O-N 3.23Å; V490-L494 VanDerWaalsContact O-N 3.08Å; V490-L517 HydrophobicContact CG1-CD1 3.84Å; V490-L537 HydrophobicContact CG1-CD1 3.98Å; V490-V540 HydrophobicContact CB-CG1 4.26Å; V490-V540 HydrophobicContact CG1-CG1 3.97Å; V490-V540 HydrophobicContact CG2-CG1 4.25Å; V490-V544 HydrophobicContact CG2-CB 4.1Å; V490-V544 HydrophobicContact CG2-CG1 4.08Å; V490-V544 HydrophobicContact CG2-CG2 3.94Å; V490-L546 HydrophobicContact CG2-CD1 3.72Å
491	S	97.9	Very high	96.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-42.6	176.6	-177.1	0	0	0	0	112.2	N487 T488 L495 I502 A504	N487-S491 WeakPolarHBondContact O-CB 3.34Å; N487-S491 PolarHBondContact O-N 2.88Å; N487-S491 VanDerWaalsContact O-N 3.09Å; T488-S491 WeakPolarHBondContact O-CB 3.29Å; T488-S491 PolarHBondContact O-N 2.92Å; S491-L495 PolarHBondContact O-N 2.89Å; S491-I502 WeakPolarHBondContact CB-O 3.08Å; S491-I502 PolarHBondContact OG-O 2.7Å; S491-A504 PolarHBondContact OG-N 3.46Å
492	D	97.1	Very high	96.8	Very high	43 Å²	43	37.9 Å²	37.9	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-70.3	-48.8	-180	-70.1	-9.1	0	0	0	111.9	K167 T488 V490 L494 L495 E496	K167-D492 WeakPolarHBondContact CE-OD1 3.11Å; K167-D492 IonicContact NZ-OD1 2.65Å; K167-D492 PolarHBondContact NZ-OD1 3.43Å; K167-D492 IonicContact NZ-OD2 2.67Å; T488-D492 WeakPolarHBondContact O-CB 3.42Å; T488-D492 VanDerWaalsContact O-CG 3.24Å; T488-D492 PolarHBondContact O-N 3.38Å; V490-D492 VanDerWaalsContact C-N 3.33Å; V490-D492 PolarHBondContact O-N 3.27Å; D492-L494 VanDerWaalsContact C-N 3.32Å; D492-L494 PolarHBondContact O-N 3.46Å; D492-L495 PolarHBondContact O-N 2.93Å; D492-E496 WeakPolarHBondContact O-CB 3.38Å; D492-E496 VanDerWaalsContact O-CG 3.3Å; D492-E496 WeakPolarHBondContact O-CG 3.23Å; D492-E496 PolarHBondContact O-N 3.27Å
493	I	97.6	Very high	97	Very high	22 Å²	22	39.1 Å²	39.1	11%	0.113	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-42.5	178.8	-67.6	167.7	0	0	0	111	K489 L495 E496 R497 V540 V544	K489-I493 HydrophobicContact CG-CD1 3.84Å; K489-I493 WeakPolarHBondContact O-CB 3.49Å; K489-I493 VanDerWaalsContact O-CG1 3.23Å; K489-I493 WeakPolarHBondContact O-CG1 3.41Å; K489-I493 PolarHBondContact O-N 3.13Å; I493-L495 PolarHBondContact O-N 2.96Å; I493-E496 PolarHBondContact O-N 2.72Å; I493-R497 WeakPolarHBondContact O-CB 3.39Å; I493-R497 PolarHBondContact O-N 3.14Å; I493-V540 HydrophobicContact CB-CG1 3.81Å; I493-V540 HydrophobicContact CB-CG2 4.4Å; I493-V540 HydrophobicContact CD1-CG1 4.26Å; I493-V540 HydrophobicContact CG2-CB 4.28Å; I493-V540 HydrophobicContact CG2-CG1 3.72Å; I493-V540 HydrophobicContact CG2-CG2 3.52Å; I493-V544 HydrophobicContact CD1-CG2 3.88Å
494	L	98.1	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-41.4	177.1	-76.2	170.3	0	0	0	112.4	V490 D492 H498 N499 I500 I502 K536 L537 V540	V490-L494 HydrophobicContact CG1-CD1 3.84Å; V490-L494 HydrophobicContact CG1-CG 4.5Å; V490-L494 WeakPolarHBondContact O-CB 3.4Å; V490-L494 WeakPolarHBondContact O-CG 3.45Å; V490-L494 PolarHBondContact O-N 3.23Å; V490-L494 VanDerWaalsContact O-N 3.08Å; D492-L494 VanDerWaalsContact C-N 3.32Å; D492-L494 PolarHBondContact O-N 3.46Å; L494-H498 HydrophobicContact CD2-CB 4.45Å; L494-H498 CarbonylContact O-C 3.56Å; L494-H498 WeakPolarHBondContact O-CA 3.21Å; L494-H498 WeakPolarHBondContact O-CB 3.4Å; L494-H498 PolarHBondContact O-N 2.9Å; L494-N499 PolarHBondContact O-N 2.98Å; L494-I500 CarbonylContact C-O 3.12Å; L494-I500 HydrophobicContact CB-CB 4.2Å; L494-I500 HydrophobicContact CB-CG2 4.2Å; L494-I500 HydrophobicContact CD2-CB 4.49Å; L494-I500 HydrophobicContact CD2-CD1 4.39Å; L494-I500 HydrophobicContact CD2-CG2 4.41Å; L494-I500 PolarHBondContact O-N 3.34Å; L494-I502 HydrophobicContact CD1-CG2 3.66Å; L494-K536 HydrophobicContact CD2-CB 4.2Å; L494-L537 HydrophobicContact CD1-CD1 3.91Å; L494-V540 HydrophobicContact CD2-CB 4.33Å; L494-V540 HydrophobicContact CD2-CG2 3.85Å; L494-V540 HydrophobicContact CG-CB 4.39Å; L494-V540 HydrophobicContact CG-CG1 4.44Å; L494-V540 HydrophobicContact CG-CG2 4.17Å
495	L	96.8	Very high	97.3	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-52	176.8	-178.4	65.9	0	0	0	111.3	K167 V192 S491 D492 I493 N499 I500 Y501	K167-L495 HydrophobicContact CB-CD2 4.34Å; K167-L495 HydrophobicContact CD-CD2 3.62Å; K167-L495 HydrophobicContact CG-CD2 3.96Å; V192-L495 HydrophobicContact CB-CD1 4.39Å; V192-L495 HydrophobicContact CG1-CD1 3.98Å; V192-L495 HydrophobicContact CG2-CD1 4.47Å; S491-L495 PolarHBondContact O-N 2.89Å; D492-L495 PolarHBondContact O-N 2.93Å; I493-L495 PolarHBondContact O-N 2.96Å; L495-N499 WeakPolarHBondContact O-CA 3.44Å; L495-N499 PolarHBondContact O-N 3.47Å; L495-I500 WeakPolarHBondContact CA-O 3.25Å; L495-I500 PolarHBondContact N-O 2.84Å; L495-I500 VanDerWaalsContact N-O 3.17Å; L495-Y501 HydrophobicContact CD1-CD2 4.46Å; L495-Y501 HydrophobicContact CD1-CG 4.38Å
496	E	94.8	Very high	97.1	Very high	74 Å²	74	32.8 Å²	32.8	35%	0.346	16%	0.156	S	C	.	.	H	α-helix	trans	-76.5	-39.4	-166.2	-65.4	-178.4	-173.4	0	0	113.7	L184 R187 D492 I493	L184-E496 HydrophobicContact CD1-CB 4.25Å; L184-E496 HydrophobicContact CD1-CG 3.88Å; L184-E496 HydrophobicContact CD2-CG 4.27Å; L184-E496 HydrophobicContact CG-CG 4.25Å; R187-E496 PolarHBondContact NH1-O 3.27Å; R187-E496 PolarHBondContact NH2-O 3.02Å; D492-E496 WeakPolarHBondContact O-CB 3.38Å; D492-E496 VanDerWaalsContact O-CG 3.3Å; D492-E496 WeakPolarHBondContact O-CG 3.23Å; D492-E496 PolarHBondContact O-N 3.27Å; I493-E496 PolarHBondContact O-N 2.72Å
497	R	95	Very high	96.5	Very high	124 Å²	124	33.8 Å²	33.8	47%	0.468	16%	0.159	S	C	.	.	H	α-helix	trans	-98.7	-33.4	-177.6	-79.3	164.8	35.7	-179.1	-6.6	113.7	I493 E543	I493-R497 WeakPolarHBondContact O-CB 3.39Å; I493-R497 PolarHBondContact O-N 3.14Å; R497-E543 IonicContact CZ-OE1 2.94Å; R497-E543 IonicContact CZ-OE2 3.73Å; R497-E543 VanDerWaalsContact CZ-OE2 3.23Å; R497-E543 IonicContact NH1-OE1 3.62Å; R497-E543 PolarHBondContact NH1-OE1 3.29Å; R497-E543 IonicContact NH1-OE2 4Å; R497-E543 PolarHBondContact NH1-OE2 2.87Å; R497-E543 IonicContact NH2-OE1 3.13Å; R497-E543 IonicContact NH2-OE2 3.65Å; R497-E543 PolarHBondContact NH2-OE2 3.3Å
498	H	96.7	Very high	95.9	Very high	34 Å²	34	37.9 Å²	37.9	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-110.8	-3.4	-171.4	-56.8	-91.7	0	0	0	113.4	L494 I500 K536 E539	L494-H498 HydrophobicContact CD2-CB 4.45Å; L494-H498 CarbonylContact O-C 3.56Å; L494-H498 WeakPolarHBondContact O-CA 3.21Å; L494-H498 WeakPolarHBondContact O-CB 3.4Å; L494-H498 PolarHBondContact O-N 2.9Å; H498-I500 HydrophobicContact CB-CD1 4.1Å; H498-I500 HydrophobicContact CB-CG1 4.47Å; H498-I500 PolarHBondContact O-N 3.42Å; H498-K536 HydrophobicContact CB-CB 4.23Å; H498-K536 HydrophobicContact CB-CG 4.33Å; H498-E539 IonicContact CE1-OE2 3.94Å
499	N	97	Very high	95.1	Very high	58 Å²	58	38.4 Å²	38.4	31%	0.31	19%	0.188	S	C	.	.			trans	57.1	33.5	-177.8	-49.3	-70.8	0	0	0	112.9	R187 Q191 V192 S193 L494 L495	R187-N499 PolarHBondContact NH2-OD1 3.01Å; Q191-N499 WeakPolarHBondContact O-CB 3.39Å; V192-N499 CarbonylContact C-O 3.32Å; V192-N499 WeakPolarHBondContact CA-O 3.48Å; V192-N499 HydrophobicContact CB-CB 4.43Å; V192-N499 WeakPolarHBondContact CB-O 3.46Å; V192-N499 HydrophobicContact CG1-CB 4.02Å; S193-N499 PolarHBondContact N-O 2.76Å; S193-N499 PolarHBondContact OG-O 2.88Å; L494-N499 PolarHBondContact O-N 2.98Å; L495-N499 WeakPolarHBondContact O-CA 3.44Å; L495-N499 PolarHBondContact O-N 3.47Å
500	I	98.3	Very high	94.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.7	-179.9	-73.7	166.1	0	0	0	108.4	L494 L495 H498 I502 F533 K536	L494-I500 CarbonylContact C-O 3.12Å; L494-I500 HydrophobicContact CB-CB 4.2Å; L494-I500 HydrophobicContact CB-CG2 4.2Å; L494-I500 HydrophobicContact CD2-CB 4.49Å; L494-I500 HydrophobicContact CD2-CD1 4.39Å; L494-I500 HydrophobicContact CD2-CG2 4.41Å; L494-I500 PolarHBondContact O-N 3.34Å; L495-I500 WeakPolarHBondContact CA-O 3.25Å; L495-I500 PolarHBondContact N-O 2.84Å; L495-I500 VanDerWaalsContact N-O 3.17Å; H498-I500 HydrophobicContact CB-CD1 4.1Å; H498-I500 HydrophobicContact CB-CG1 4.47Å; H498-I500 PolarHBondContact O-N 3.42Å; I500-I502 HydrophobicContact CG2-CG2 4.33Å; I500-I502 PolarHBondContact O-N 3.32Å; I500-F533 HydrophobicContact CD1-CD2 4.35Å; I500-F533 HydrophobicContact CG2-CD2 3.43Å; I500-F533 VanDerWaalsContact CG2-CD2 3.43Å; I500-F533 HydrophobicContact CG2-CE2 3.39Å; I500-K536 HydrophobicContact CD1-CB 3.65Å; I500-K536 HydrophobicContact CD1-CG 4.05Å
501	Y	98.4	Very high	93.6	Very high	32 Å²	32	38.4 Å²	38.4	13%	0.125	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	102.4	173.8	-177.1	-149.2	0	0	0	110.8	K167 V169 S193 V194 W195 L495 Q503	K167-Y501 HydrophobicContact CB-CE2 3.9Å; K167-Y501 HydrophobicContact CG-CE2 3.87Å; V169-Y501 HydrophobicContact CG1-CD1 4.08Å; V169-Y501 HydrophobicContact CG1-CE1 4.28Å; V169-Y501 HydrophobicContact CG2-CD1 4.08Å; V169-Y501 HydrophobicContact CG2-CE1 3.72Å; S193-Y501 PolarHBondContact O-N 2.87Å; V194-Y501 HydrophobicContact CG1-CD1 3.85Å; V194-Y501 HydrophobicContact CG1-CE1 4.4Å; V194-Y501 HydrophobicContact CG2-CD1 4.17Å; W195-Y501 PolarHBondContact N-O 2.79Å; L495-Y501 HydrophobicContact CD1-CD2 4.46Å; L495-Y501 HydrophobicContact CD1-CG 4.38Å; Y501-Q503 HydrophobicContact CE2-CB 4.16Å
502	I	98.3	Very high	92.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.			trans	-125.7	127.1	162.8	-177.1	171.5	0	0	0	108.6	W195 C196 S491 L494 I500 L517 L519 F533	W195-I502 HydrophobicContact CB-CB 4.43Å; C196-I502 HydrophobicContact CB-CG1 4.49Å; S491-I502 WeakPolarHBondContact CB-O 3.08Å; S491-I502 PolarHBondContact OG-O 2.7Å; L494-I502 HydrophobicContact CD1-CG2 3.66Å; I500-I502 HydrophobicContact CG2-CG2 4.33Å; I500-I502 PolarHBondContact O-N 3.32Å; I502-L517 HydrophobicContact CD1-CB 3.79Å; I502-L517 HydrophobicContact CG1-CB 4.37Å; I502-L517 HydrophobicContact CG1-CD2 4.39Å; I502-L517 HydrophobicContact CG2-CD2 4.46Å; I502-L519 HydrophobicContact CD1-CD2 3.64Å; I502-L519 HydrophobicContact CD1-CG 3.65Å; I502-F533 HydrophobicContact CB-CE2 4.27Å; I502-F533 HydrophobicContact CD1-CE2 4.29Å; I502-F533 HydrophobicContact CD1-CZ 3.81Å; I502-F533 HydrophobicContact CG2-CE2 4.14Å; I502-F533 HydrophobicContact CG2-CZ 4.33Å
503	Q	98.2	Very high	92.4	Very high	56 Å²	56	44 Å²	44	26%	0.262	23%	0.225	S	C	.	.			trans	-84.1	129.8	-175.6	179.8	58.6	62.1	0	0	112.3	C196 Y501 I505	C196-Q503 HydrophobicContact CB-CB 4.22Å; C196-Q503 PolarHBondContact SG-N 3.14Å; C196-Q503 VanDerWaalsContact SG-N 3.4Å; Y501-Q503 HydrophobicContact CE2-CB 4.16Å; Q503-I505 HydrophobicContact CG-CD1 4.09Å; Q503-I505 PolarHBondContact O-N 2.9Å
504	A	97.9	Very high	92	Very high	8 Å²	8	46.5 Å²	46.5	7%	0.066	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	121.3	163.4	0	0	0	0	0	111.4	N487 S491	N487-A504 HydrophobicContact CB-CB 4.2Å; N487-A504 WeakPolarHBondContact O-CB 3.47Å; S491-A504 PolarHBondContact OG-N 3.46Å
505	I	96.3	Very high	91.9	Very high	26 Å²	26	47 Å²	47	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.1	174.6	-51.1	-57.2	0	0	0	109.6	M334 N487 Q503 T509 V510 E515 L516 R518	M334-I505 HydrophobicContact SD-CG2 3.95Å; N487-I505 PolarHBondContact ND2-N 3.42Å; N487-I505 PolarHBondContact ND2-O 3.02Å; Q503-I505 HydrophobicContact CG-CD1 4.09Å; Q503-I505 PolarHBondContact O-N 2.9Å; I505-T509 HydrophobicContact CG2-CG2 3.57Å; I505-V510 HydrophobicContact CG2-CG1 3.86Å; I505-V510 HydrophobicContact CG2-CG2 4.17Å; I505-V510 WeakPolarHBondContact O-CG2 3.5Å; I505-E515 WeakPolarHBondContact O-CA 3.45Å; I505-L516 WeakPolarHBondContact CA-O 3.4Å; I505-L516 HydrophobicContact CB-CD1 3.86Å; I505-L516 HydrophobicContact CB-CG 4.29Å; I505-L516 WeakPolarHBondContact CB-O 3.49Å; I505-L516 HydrophobicContact CG1-CD1 3.95Å; I505-L516 HydrophobicContact CG2-CD1 4.45Å; I505-L516 PolarHBondContact N-O 3.18Å; I505-L516 PolarHBondContact O-N 3.49Å; I505-L516 VanDerWaalsContact O-N 3.09Å; I505-R518 HydrophobicContact CD1-CB 4.42Å; I505-R518 HydrophobicContact CG1-CB 3.7Å
506	N	92	Very high	91.9	Very high	14 Å²	14	47.4 Å²	47.4	8%	0.075	24%	0.241	C	C	.	.			trans	-115.8	172.2	178.3	-60.2	-13.3	0	0	0	111.1	R164 A484 N487 T488 T509 E515	R164-N506 PolarHBondContact NH2-O 3.26Å; A484-N506 HydrophobicContact CB-CB 4.29Å; A484-N506 PolarHBondContact O-ND2 3.21Å; A484-N506 VanDerWaalsContact O-ND2 3.12Å; N487-N506 PolarHBondContact ND2-OD1 3.43Å; T488-N506 PolarHBondContact OG1-ND2 2.99Å; N506-T509 WeakPolarHBondContact O-CB 3.32Å; N506-T509 PolarHBondContact O-N 3.11Å; N506-T509 VanDerWaalsContact O-N 3.08Å; N506-E515 HydrophobicContact CB-CG 4.22Å
507	F	85.1	Confident	92.1	Very high	71 Å²	71	43.9 Å²	43.9	31%	0.311	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	145.7	171.1	-177.1	-90.7	0	0	0	112.7	T162 R164 T509 V510 R512	T162-F507 HydrophobicContact CG2-CB 3.89Å; T162-F507 HydrophobicContact CG2-CD1 4.1Å; T162-F507 HydrophobicContact CG2-CG 4.48Å; R164-F507 PolarHBondContact NH2-O 3.36Å; R164-F507 VanDerWaalsContact NH2-O 3.16Å; F507-T509 VanDerWaalsContact C-N 3.34Å; F507-V510 VanDerWaalsContact CA-O 3.32Å; F507-V510 WeakPolarHBondContact CA-O 3.37Å; F507-R512 HydrophobicContact CB-CG 3.99Å; F507-R512 HydrophobicContact CD2-CG 3.92Å; F507-R512 HydrophobicContact CG-CG 4Å
508	P	85.4	Confident	92.2	Very high	86 Å²	86	38.4 Å²	38.4	56%	0.558	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.1	16.4	-2.6	37.5	-38.2	0	0	0	114.6
509	T	79.5	Confident	92.3	Very high	56 Å²	56	36.8 Å²	36.8	34%	0.344	20%	0.196	S	C	.	.	S	Bend	trans	-76.7	-27.4	179.6	-58.2	0	0	0	0	112.2	R164 M334 I505 N506 F507	R164-T509 PolarHBondContact NH1-OG1 3.2Å; R164-T509 PolarHBondContact NH2-OG1 3.03Å; M334-T509 HydrophobicContact CE-CG2 3.86Å; M334-T509 HydrophobicContact CG-CG2 4.19Å; M334-T509 HydrophobicContact SD-CG2 3.66Å; I505-T509 HydrophobicContact CG2-CG2 3.57Å; N506-T509 WeakPolarHBondContact O-CB 3.32Å; N506-T509 PolarHBondContact O-N 3.11Å; N506-T509 VanDerWaalsContact O-N 3.08Å; F507-T509 VanDerWaalsContact C-N 3.34Å
510	V	82.3	Confident	92.4	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.073	18%	0.182	C	C	.	.	S	Bend	trans	-133.7	162.6	169.1	-68.2	0	0	0	0	109.2	M334 I505 F507 E514 L516	M334-V510 HydrophobicContact CB-CG1 3.99Å; M334-V510 HydrophobicContact CG-CG1 4.02Å; I505-V510 HydrophobicContact CG2-CG1 3.86Å; I505-V510 HydrophobicContact CG2-CG2 4.17Å; I505-V510 WeakPolarHBondContact O-CG2 3.5Å; F507-V510 VanDerWaalsContact CA-O 3.32Å; F507-V510 WeakPolarHBondContact CA-O 3.37Å; V510-E514 WeakPolarHBondContact CG2-O 3.28Å; V510-L516 HydrophobicContact CG1-CD2 4.08Å; V510-L516 HydrophobicContact CG1-CG 4.39Å
511	P	82.3	Confident	92.4	Very high	86 Å²	86	34.1 Å²	34.1	56%	0.558	18%	0.182	S	C	*	.			trans	-57.7	158.3	170.9	-23.5	34.3	0	0	0	112.9	E514	P511-E514 HydrophobicContact CB-CB 4.13Å; P511-E514 HydrophobicContact CB-CG 3.94Å; P511-E514 HydrophobicContact CG-CB 4.38Å; P511-E514 HydrophobicContact CG-CG 4.21Å; P511-E514 PolarHBondContact O-N 3.14Å
512	R	82.9	Confident	92.4	Very high	130 Å²	130	32.6 Å²	32.6	49%	0.491	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	137.5	171.5	-62.8	-171.9	-167.1	-93.6	4.4	110.1	D160 F507 E515	D160-R512 IonicContact OD2-CZ 3.4Å; D160-R512 VanDerWaalsContact OD2-CZ 3.26Å; D160-R512 IonicContact OD2-NH1 2.78Å; D160-R512 PolarHBondContact OD2-NH1 3.36Å; D160-R512 IonicContact OD2-NH2 2.7Å; D160-R512 PolarHBondContact OD2-NH2 3.43Å; F507-R512 HydrophobicContact CB-CG 3.99Å; F507-R512 HydrophobicContact CD2-CG 3.92Å; F507-R512 HydrophobicContact CG-CG 4Å; R512-E515 WeakPolarHBondContact CA-OE1 3.25Å
513	G	86.8	Confident	92.4	Very high	30 Å²	30	33.8 Å²	33.8	31%	0.309	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.6	-170.2	0	0	0	0	0	114.1	R480 G482 E515	R480-G513 PolarHBondContact NH2-O 3.22Å; G482-G513 WeakPolarHBondContact CA-O 3.46Å; G513-E515 VanDerWaalsContact C-OE2 3.31Å; G513-E515 WeakPolarHBondContact CA-OE2 3.05Å; G513-E515 VanDerWaalsContact N-CD 3.31Å; G513-E515 PolarHBondContact N-OE1 2.95Å; G513-E515 VanDerWaalsContact N-OE1 3.14Å; G513-E515 PolarHBondContact N-OE2 3.37Å
514	E	90.1	Very high	92.4	Very high	76 Å²	76	34.6 Å²	34.6	36%	0.355	19%	0.188	S	C	.	.			trans	-108.6	18.7	173.5	-62.3	-62.6	150.9	0	0	111.5	R480 V510 P511 L516	R480-E514 IonicContact CZ-OE1 3.23Å; R480-E514 IonicContact CZ-OE2 2.69Å; R480-E514 IonicContact NE-OE2 3.12Å; R480-E514 IonicContact NH1-OE1 3.67Å; R480-E514 PolarHBondContact NH1-OE1 2.91Å; R480-E514 IonicContact NH1-OE2 2.76Å; R480-E514 PolarHBondContact NH1-OE2 3.17Å; R480-E514 IonicContact NH2-OE1 3.78Å; R480-E514 PolarHBondContact NH2-OE1 3.3Å; R480-E514 IonicContact NH2-OE2 2.88Å; R480-E514 PolarHBondContact NH2-OE2 3.01Å; V510-E514 WeakPolarHBondContact CG2-O 3.28Å; P511-E514 HydrophobicContact CB-CB 4.13Å; P511-E514 HydrophobicContact CB-CG 3.94Å; P511-E514 HydrophobicContact CG-CB 4.38Å; P511-E514 HydrophobicContact CG-CG 4.21Å; P511-E514 PolarHBondContact O-N 3.14Å; E514-L516 PolarHBondContact O-N 2.93Å
515	E	95.8	Very high	92.4	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.047	19%	0.185	C	C	.	.			trans	-60.2	135.9	177.5	-62	84.1	-179	0	0	111	V481 G482 N483 A484 N487 I505 N506 R512 G513	V481-E515 WeakPolarHBondContact CA-O 3.23Å; V481-E515 PolarHBondContact N-O 3.25Å; G482-E515 PolarHBondContact N-O 3.06Å; N483-E515 PolarHBondContact N-OE2 3.03Å; A484-E515 HydrophobicContact CB-CG 4.05Å; N487-E515 HydrophobicContact CB-CB 4.4Å; I505-E515 WeakPolarHBondContact O-CA 3.45Å; N506-E515 HydrophobicContact CB-CG 4.22Å; R512-E515 WeakPolarHBondContact CA-OE1 3.25Å; G513-E515 VanDerWaalsContact C-OE2 3.31Å; G513-E515 WeakPolarHBondContact CA-OE2 3.05Å; G513-E515 VanDerWaalsContact N-CD 3.31Å; G513-E515 PolarHBondContact N-OE1 2.95Å; G513-E515 VanDerWaalsContact N-OE1 3.14Å; G513-E515 PolarHBondContact N-OE2 3.37Å
516	L	97	Very high	92.4	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.058	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.6	-169.6	60.4	84.5	0	0	0	112.9	P478 I479 N487 I505 V510 E514 R518	P478-L516 HydrophobicContact CB-CD1 4.21Å; P478-L516 HydrophobicContact CB-CD2 4.01Å; I479-L516 CarbonylContact O-C 3.57Å; I479-L516 VanDerWaalsContact O-CA 3.23Å; I479-L516 WeakPolarHBondContact O-CA 3.31Å; I479-L516 VanDerWaalsContact O-CB 3.3Å; I479-L516 WeakPolarHBondContact O-CB 3.42Å; N487-L516 PolarHBondContact ND2-N 3.19Å; N487-L516 PolarHBondContact ND2-O 3.02Å; N487-L516 PolarHBondContact OD1-O 3.46Å; I505-L516 WeakPolarHBondContact CA-O 3.4Å; I505-L516 HydrophobicContact CB-CD1 3.86Å; I505-L516 HydrophobicContact CB-CG 4.29Å; I505-L516 WeakPolarHBondContact CB-O 3.49Å; I505-L516 HydrophobicContact CG1-CD1 3.95Å; I505-L516 HydrophobicContact CG2-CD1 4.45Å; I505-L516 PolarHBondContact N-O 3.18Å; I505-L516 PolarHBondContact O-N 3.49Å; I505-L516 VanDerWaalsContact O-N 3.09Å; V510-L516 HydrophobicContact CG1-CD2 4.08Å; V510-L516 HydrophobicContact CG1-CG 4.39Å; E514-L516 PolarHBondContact O-N 2.93Å; L516-R518 HydrophobicContact CD1-CB 3.79Å
517	L	98.4	Very high	92.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.2	161	-65.2	173.2	0	0	0	108.2	P478 I479 V481 N487 V490 I502 L537 W541	P478-L517 WeakPolarHBondContact CA-O 3.22Å; I479-L517 HydrophobicContact CB-CB 4.36Å; I479-L517 PolarHBondContact N-O 3.46Å; I479-L517 PolarHBondContact O-N 3.01Å; V481-L517 HydrophobicContact CG2-CG 4.23Å; N487-L517 VanDerWaalsContact OD1-CD2 3.25Å; N487-L517 WeakPolarHBondContact OD1-CD2 3.47Å; N487-L517 WeakPolarHBondContact OD1-CG 3.36Å; V490-L517 HydrophobicContact CG1-CD1 3.84Å; I502-L517 HydrophobicContact CD1-CB 3.79Å; I502-L517 HydrophobicContact CG1-CB 4.37Å; I502-L517 HydrophobicContact CG1-CD2 4.39Å; I502-L517 HydrophobicContact CG2-CD2 4.46Å; L517-L537 HydrophobicContact CD1-CD1 3.85Å; L517-W541 HydrophobicContact CD1-CZ3 4.22Å
518	R	98.2	Very high	93.2	Very high	9 Å²	9	39.3 Å²	39.3	3%	0.034	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	101.4	-177.3	-172.4	-177.8	175.3	-77	1.3	111.6	N198 Y200 S333 H361 I476 I505 L516	N198-R518 PolarHBondContact OD1-NH1 3.48Å; Y200-R518 PolarHBondContact OH-NH2 3.19Å; Y200-R518 VanDerWaalsContact OH-NH2 3.1Å; S333-R518 VanDerWaalsContact O-CZ 3.32Å; S333-R518 PolarHBondContact O-NE 2.85Å; S333-R518 PolarHBondContact O-NH2 2.87Å; H361-R518 PolarHBondContact CE1-NH2 3.41Å; I476-R518 VanDerWaalsContact CD1-NH2 3.34Å; I476-R518 HydrophobicContact CG2-CG 3.94Å; I505-R518 HydrophobicContact CD1-CB 4.42Å; I505-R518 HydrophobicContact CG1-CB 3.7Å; L516-R518 HydrophobicContact CD1-CB 3.79Å
519	L	98.3	Very high	93.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	143.1	173.7	-82.2	172.4	0	0	0	112.3	W195 M458 L462 I477 I479 I502 F533	W195-L519 HydrophobicContact CB-CD2 3.72Å; W195-L519 HydrophobicContact CD2-CD2 4.43Å; W195-L519 HydrophobicContact CE3-CD2 4.04Å; W195-L519 HydrophobicContact CG-CD2 4.37Å; M458-L519 HydrophobicContact CE-CD1 3.71Å; M458-L519 HydrophobicContact CE-CD2 4.11Å; M458-L519 HydrophobicContact CG-CD1 4.37Å; L462-L519 HydrophobicContact CD1-CD1 3.5Å; L462-L519 VanDerWaalsContact CD1-CD1 3.5Å; L462-L519 HydrophobicContact CD2-CD1 4.37Å; I477-L519 HydrophobicContact CB-CB 3.94Å; I477-L519 PolarHBondContact N-O 3.44Å; I477-L519 VanDerWaalsContact N-O 3.08Å; I477-L519 WeakPolarHBondContact O-CB 3.35Å; I477-L519 PolarHBondContact O-N 3.44Å; I479-L519 HydrophobicContact CD1-CD1 3.96Å; I502-L519 HydrophobicContact CD1-CD2 3.64Å; I502-L519 HydrophobicContact CD1-CG 3.65Å; L519-F533 HydrophobicContact CD1-CE1 3.91Å; L519-F533 HydrophobicContact CD1-CZ 4.24Å; L519-F533 HydrophobicContact CD2-CE1 4.02Å; L519-F533 HydrophobicContact CD2-CE2 4.03Å; L519-F533 HydrophobicContact CD2-CZ 3.67Å; L519-F533 HydrophobicContact CG-CE1 4.42Å; L519-F533 HydrophobicContact CG-CZ 4.26Å
520	A	98.3	Very high	94.8	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.025	19%	0.192	C	C	.	.			trans	-140.8	69	175.1	0	0	0	0	0	110	W195 S197 Y200	W195-A520 PolarHBondContact O-N 2.99Å; S197-A520 VanDerWaalsContact O-CB 3.29Å; S197-A520 WeakPolarHBondContact O-CB 3.35Å; Y200-A520 HydrophobicContact CD1-CB 3.99Å; Y200-A520 HydrophobicContact CE1-CB 3.77Å
521	P	98.1	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.			trans	-64.9	136.9	179.6	29.6	-35.3	0	0	0	110.6	H451 V455 M458 I477	H451-P521 PolarHBondContact CD2-O 2.89Å; H451-P521 PolarHBondContact NE2-O 2.97Å; V455-P521 HydrophobicContact CB-CG 4.48Å; V455-P521 HydrophobicContact CG2-CG 3.97Å; M458-P521 HydrophobicContact CB-CB 4.39Å; M458-P521 HydrophobicContact CB-CG 4.11Å; M458-P521 HydrophobicContact CG-CB 4.38Å; M458-P521 HydrophobicContact CG-CG 4.22Å; I477-P521 HydrophobicContact CD1-CG 3.94Å
522	S	98.6	Very high	96.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	21%	0.208	C	C	.	.			trans	-105.5	168.8	-176.8	76.3	0	0	0	0	111.9	F176 Y200 N454 H524 H525	F176-S522 WeakPolarHBondContact CE1-OG 3.13Å; Y200-S522 WeakPolarHBondContact O-CA 3.44Å; Y200-S522 WeakPolarHBondContact O-CB 3.38Å; N454-S522 PolarHBondContact ND2-O 3.29Å; S522-H524 PolarHBondContact O-N 3.2Å; S522-H524 PolarHBondContact OG-N 3.43Å; S522-H525 PolarHBondContact N-ND1 3.39Å; S522-H525 VanDerWaalsContact N-ND1 3.12Å; S522-H525 PolarHBondContact O-N 2.94Å; S522-H525 PolarHBondContact OG-ND1 3Å
523	P	98.3	Very high	97	Very high	24 Å²	24	33.1 Å²	33.1	16%	0.156	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-24.7	169.2	-28.6	35.7	0	0	0	114.8	Y200 L201 L447 A450 H451 N454	Y200-P523 WeakPolarHBondContact O-CD 3.24Å; L201-P523 HydrophobicContact CD2-CG 3.82Å; L447-P523 HydrophobicContact CD2-CB 4.34Å; L447-P523 HydrophobicContact CD2-CG 4.27Å; L447-P523 WeakPolarHBondContact O-CG 3.36Å; A450-P523 HydrophobicContact CB-CB 3.92Å; A450-P523 HydrophobicContact CB-CG 4.39Å; H451-P523 HydrophobicContact CB-CG 3.88Å; N454-P523 WeakPolarHBondContact ND2-CA 3.48Å; N454-P523 PolarHBondContact ND2-O 3.16Å
524	H	98.1	Very high	97.6	Very high	74 Å²	74	31.9 Å²	31.9	34%	0.343	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.2	-171.4	-50.8	-91.6	0	0	0	113.3	F176 L201 S522 N526	F176-H524 HydrophobicContact CD1-CB 3.77Å; F176-H524 AromaticContact CD1-CD2 3.85Å; F176-H524 AromaticContact CD1-CG 3.84Å; F176-H524 HydrophobicContact CE1-CB 3.91Å; F176-H524 AromaticContact CE1-CD2 3.58Å; F176-H524 AromaticContact CE1-CG 3.95Å; L201-H524 PolarHBondContact O-CD2 2.89Å; L201-H524 PolarHBondContact O-NE2 3.44Å; S522-H524 PolarHBondContact O-N 3.2Å; S522-H524 PolarHBondContact OG-N 3.43Å; H524-N526 PolarHBondContact O-N 2.79Å
525	H	98.5	Very high	98	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	17%	0.169	C	C	.	.	S	Bend	trans	-77	117	163.1	-67.4	82.6	0	0	0	107.8	P177 V194 W195 N454 S522 M530	P177-H525 WeakPolarHBondContact CB-CE1 3.34Å; P177-H525 WeakPolarHBondContact CG-NE2 3.41Å; V194-H525 PolarHBondContact O-NE2 2.72Å; W195-H525 AromaticContact CD2-CD2 3.6Å; W195-H525 AromaticContact CD2-NE2 3.63Å; W195-H525 AromaticContact CE2-CD2 3.64Å; W195-H525 AromaticContact CE2-NE2 3.95Å; W195-H525 AromaticContact CE3-CD2 3.43Å; W195-H525 VanDerWaalsContact CE3-CD2 3.43Å; W195-H525 AromaticContact CE3-NE2 3.7Å; W195-H525 HydrophobicContact CH2-CB 4.14Å; W195-H525 AromaticContact CH2-CD2 3.4Å; W195-H525 WeakPolarHBondContact CH2-CD2 3.29Å; W195-H525 AromaticContact CZ2-CD2 3.56Å; W195-H525 HydrophobicContact CZ3-CB 4.08Å; W195-H525 AromaticContact CZ3-CD2 3.33Å; W195-H525 WeakPolarHBondContact CZ3-CD2 3.3Å; W195-H525 AromaticContact CZ3-CG 3.85Å; N454-H525 PolarHBondContact ND2-O 2.89Å; S522-H525 PolarHBondContact N-ND1 3.39Å; S522-H525 VanDerWaalsContact N-ND1 3.12Å; S522-H525 PolarHBondContact O-N 2.94Å; S522-H525 PolarHBondContact OG-ND1 3Å; H525-M530 WeakPolarHBondContact O-CE 3.42Å
526	N	96.2	Very high	98.1	Very high	76 Å²	76	31.7 Å²	31.7	41%	0.406	18%	0.178	S	C	.	.			trans	-88.7	165.8	-179	73.9	56.2	0	0	0	111.9	H524 S528 M529 M530	H524-N526 PolarHBondContact O-N 2.79Å; N526-S528 PolarHBondContact O-N 3.2Å; N526-S528 WeakPolarHBondContact OD1-CB 3.27Å; N526-S528 PolarHBondContact OD1-N 2.73Å; N526-M529 PolarHBondContact ND2-SD 3.37Å; N526-M529 VanDerWaalsContact ND2-SD 3.44Å; N526-M529 WeakPolarHBondContact O-CB 3.46Å; N526-M529 PolarHBondContact O-N 2.89Å; N526-M529 VanDerWaalsContact O-N 3.13Å; N526-M529 PolarHBondContact OD1-N 2.92Å; N526-M530 PolarHBondContact O-N 2.88Å; N526-M530 VanDerWaalsContact O-N 3.08Å
527	P	97.3	Very high	98.2	Very high	55 Å²	55	31.2 Å²	31.2	36%	0.357	18%	0.175	S	C	.	.	H	α-helix	trans	-54.7	-43.9	-178.3	-28.9	37.4	0	0	0	114.6	L457 M529 M530 E531	L457-P527 HydrophobicContact CD2-CB 4.28Å; L457-P527 HydrophobicContact CD2-CG 4.23Å; P527-M529 VanDerWaalsContact C-N 3.31Å; P527-M529 PolarHBondContact O-N 3.06Å; P527-M530 WeakPolarHBondContact O-CA 3.2Å; P527-M530 WeakPolarHBondContact O-CB 3.31Å; P527-M530 PolarHBondContact O-N 3.47Å; P527-E531 WeakPolarHBondContact O-CG 3.46Å; P527-E531 PolarHBondContact O-N 2.91Å
528	S	98.1	Very high	98.2	Very high	84 Å²	84	32.3 Å²	32.3	59%	0.587	18%	0.18	S	C	*	.	H	α-helix	trans	-63.2	-35.7	178.3	173.7	0	0	0	0	112.5	N526 D532	N526-S528 PolarHBondContact O-N 3.2Å; N526-S528 WeakPolarHBondContact OD1-CB 3.27Å; N526-S528 PolarHBondContact OD1-N 2.73Å; S528-D532 WeakPolarHBondContact O-CB 3.46Å; S528-D532 PolarHBondContact O-N 2.76Å
529	M	98.4	Very high	98.2	Very high	42 Å²	42	36.1 Å²	36.1	21%	0.207	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-36.5	171.9	-64.2	176	71.8	0	0	112.2	P177 L178 W195 N526 P527 F533	P177-M529 HydrophobicContact CG-CE 3.74Å; L178-M529 HydrophobicContact CD2-CE 4.29Å; W195-M529 HydrophobicContact CH2-CB 4.1Å; W195-M529 WeakPolarHBondContact CH2-O 3.39Å; W195-M529 HydrophobicContact CZ2-CB 3.99Å; W195-M529 VanDerWaalsContact CZ2-O 3.23Å; W195-M529 WeakPolarHBondContact CZ2-O 3.37Å; N526-M529 PolarHBondContact ND2-SD 3.37Å; N526-M529 VanDerWaalsContact ND2-SD 3.44Å; N526-M529 WeakPolarHBondContact O-CB 3.46Å; N526-M529 PolarHBondContact O-N 2.89Å; N526-M529 VanDerWaalsContact O-N 3.13Å; N526-M529 PolarHBondContact OD1-N 2.92Å; P527-M529 VanDerWaalsContact C-N 3.31Å; P527-M529 PolarHBondContact O-N 3.06Å; M529-F533 VanDerWaalsContact O-CB 3.32Å; M529-F533 WeakPolarHBondContact O-CB 3.43Å; M529-F533 PolarHBondContact O-N 2.72Å
530	M	98.7	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.1	-40.6	177.6	-71.2	-175.4	-83.7	0	0	111.3	W195 N454 L457 M458 L461 H525 N526 P527 V534	W195-M530 HydrophobicContact CH2-CB 4.35Å; W195-M530 HydrophobicContact CH2-CG 3.72Å; W195-M530 HydrophobicContact CZ3-CG 3.85Å; N454-M530 HydrophobicContact CB-CE 4.16Å; N454-M530 HydrophobicContact CB-SD 4.38Å; L457-M530 HydrophobicContact CD2-CE 3.84Å; L457-M530 HydrophobicContact CG-CE 4.48Å; M458-M530 HydrophobicContact CB-SD 3.9Å; M458-M530 HydrophobicContact CG-SD 4.47Å; M458-M530 HydrophobicContact SD-CB 3.68Å; M458-M530 HydrophobicContact SD-CG 3.62Å; M458-M530 HydrophobicContact SD-SD 4.05Å; L461-M530 HydrophobicContact CD1-CB 4.08Å; H525-M530 WeakPolarHBondContact O-CE 3.42Å; N526-M530 PolarHBondContact O-N 2.88Å; N526-M530 VanDerWaalsContact O-N 3.08Å; P527-M530 WeakPolarHBondContact O-CA 3.2Å; P527-M530 WeakPolarHBondContact O-CB 3.31Å; P527-M530 PolarHBondContact O-N 3.47Å; M530-V534 WeakPolarHBondContact O-CB 3.24Å; M530-V534 VanDerWaalsContact O-CG2 3.23Å; M530-V534 WeakPolarHBondContact O-CG2 3.34Å; M530-V534 PolarHBondContact O-N 2.74Å
531	E	98	Very high	98.2	Very high	115 Å²	115	36 Å²	36	54%	0.537	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-46	175.2	-71.6	161.9	-156.3	0	0	112.3	L461 P527 V534 G535	L461-E531 HydrophobicContact CD1-CG 4.35Å; P527-E531 WeakPolarHBondContact O-CG 3.46Å; P527-E531 PolarHBondContact O-N 2.91Å; E531-V534 PolarHBondContact O-N 3.48Å; E531-G535 PolarHBondContact O-N 3.25Å
532	D	98.4	Very high	98.1	Very high	84 Å²	84	42 Å²	42	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-46.6	175	180	64.4	0	0	0	111.6	S528 V534 G535 K536	S528-D532 WeakPolarHBondContact O-CB 3.46Å; S528-D532 PolarHBondContact O-N 2.76Å; D532-V534 VanDerWaalsContact C-N 3.31Å; D532-V534 PolarHBondContact O-N 2.97Å; D532-G535 PolarHBondContact O-N 2.88Å; D532-K536 WeakPolarHBondContact O-CG 3.48Å; D532-K536 PolarHBondContact O-N 2.63Å
533	F	98.7	Very high	98	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.5	-47.8	174.7	175.4	-79.2	0	0	0	111.7	W195 M458 L462 I500 I502 L519 M529 G535 K536 L537	W195-F533 HydrophobicContact CB-CD2 4.5Å; W195-F533 HydrophobicContact CB-CE2 4.2Å; W195-F533 AromaticContact CD1-CD2 3.7Å; W195-F533 HydrophobicContact CD2-CB 4.5Å; W195-F533 AromaticContact CD2-CD2 3.63Å; W195-F533 HydrophobicContact CD2-CD2 3.63Å; W195-F533 HydrophobicContact CD2-CE2 4.17Å; W195-F533 HydrophobicContact CD2-CG 4.15Å; W195-F533 AromaticContact CE2-CD2 3.58Å; W195-F533 HydrophobicContact CE3-CD2 4.29Å; W195-F533 HydrophobicContact CE3-CG 4.44Å; W195-F533 AromaticContact CG-CD2 3.71Å; W195-F533 HydrophobicContact CG-CD2 3.71Å; W195-F533 AromaticContact CG-CE2 3.88Å; W195-F533 HydrophobicContact CG-CE2 3.88Å; W195-F533 HydrophobicContact CH2-CB 3.93Å; W195-F533 HydrophobicContact CH2-CG 4.44Å; W195-F533 HydrophobicContact CZ2-CB 3.6Å; W195-F533 HydrophobicContact CZ2-CD2 4.19Å; W195-F533 HydrophobicContact CZ2-CG 4.15Å; W195-F533 AromaticContact NE1-CD2 3.62Å; M458-F533 HydrophobicContact CE-CB 4.25Å; M458-F533 HydrophobicContact CE-CD1 3.19Å; M458-F533 HydrophobicContact CE-CE1 3.7Å; M458-F533 HydrophobicContact CE-CG 3.78Å; L462-F533 HydrophobicContact CD2-CE1 4.45Å; I500-F533 HydrophobicContact CD1-CD2 4.35Å; I500-F533 HydrophobicContact CG2-CD2 3.43Å; I500-F533 VanDerWaalsContact CG2-CD2 3.43Å; I500-F533 HydrophobicContact CG2-CE2 3.39Å; I502-F533 HydrophobicContact CB-CE2 4.27Å; I502-F533 HydrophobicContact CD1-CE2 4.29Å; I502-F533 HydrophobicContact CD1-CZ 3.81Å; I502-F533 HydrophobicContact CG2-CE2 4.14Å; I502-F533 HydrophobicContact CG2-CZ 4.33Å; L519-F533 HydrophobicContact CD1-CE1 3.91Å; L519-F533 HydrophobicContact CD1-CZ 4.24Å; L519-F533 HydrophobicContact CD2-CE1 4.02Å; L519-F533 HydrophobicContact CD2-CE2 4.03Å; L519-F533 HydrophobicContact CD2-CZ 3.67Å; L519-F533 HydrophobicContact CG-CE1 4.42Å; L519-F533 HydrophobicContact CG-CZ 4.26Å; M529-F533 VanDerWaalsContact O-CB 3.32Å; M529-F533 WeakPolarHBondContact O-CB 3.43Å; M529-F533 PolarHBondContact O-N 2.72Å; F533-G535 VanDerWaalsContact C-N 3.34Å; F533-K536 PolarHBondContact O-N 3.16Å; F533-L537 HydrophobicContact CD1-CB 4.43Å; F533-L537 HydrophobicContact CE1-CB 3.99Å; F533-L537 HydrophobicContact CE1-CD2 3.66Å; F533-L537 HydrophobicContact CE1-CG 4.42Å; F533-L537 HydrophobicContact CZ-CB 4.4Å; F533-L537 HydrophobicContact CZ-CD2 4.13Å; F533-L537 VanDerWaalsContact O-CB 3.3Å; F533-L537 WeakPolarHBondContact O-CB 3.39Å; F533-L537 PolarHBondContact O-N 2.99Å
534	V	98.4	Very high	98	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-37.8	-178.3	170.7	0	0	0	0	110.8	M458 L461 L462 K465 M530 E531 D532 M538	M458-V534 HydrophobicContact CE-CG2 4.21Å; M458-V534 HydrophobicContact SD-CG2 4.18Å; L461-V534 HydrophobicContact CB-CG2 4.07Å; L462-V534 HydrophobicContact CD2-CG2 3.78Å; L462-V534 HydrophobicContact CG-CG2 4.05Å; K465-V534 HydrophobicContact CG-CG1 3.67Å; M530-V534 WeakPolarHBondContact O-CB 3.24Å; M530-V534 VanDerWaalsContact O-CG2 3.23Å; M530-V534 WeakPolarHBondContact O-CG2 3.34Å; M530-V534 PolarHBondContact O-N 2.74Å; E531-V534 PolarHBondContact O-N 3.48Å; D532-V534 VanDerWaalsContact C-N 3.31Å; D532-V534 PolarHBondContact O-N 2.97Å; V534-M538 WeakPolarHBondContact O-CB 3.32Å; V534-M538 VanDerWaalsContact O-CG 3.24Å; V534-M538 WeakPolarHBondContact O-CG 3.32Å; V534-M538 PolarHBondContact O-N 3.1Å
535	G	98.2	Very high	97.9	Very high	29 Å²	29	45.9 Å²	45.9	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-49.9	171.4	0	0	0	0	0	112.5	E531 D532 F533 M538 E539	E531-G535 PolarHBondContact O-N 3.25Å; D532-G535 PolarHBondContact O-N 2.88Å; F533-G535 VanDerWaalsContact C-N 3.34Å; G535-M538 PolarHBondContact O-N 3.26Å; G535-E539 PolarHBondContact O-N 2.93Å
536	K	98.6	Very high	97.7	Very high	53 Å²	53	46.6 Å²	46.6	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-72.6	-34.7	-177.5	-61.3	-38	-174.4	-179.5	0	113.3	L494 H498 I500 D532 F533 M538 E539 V540	L494-K536 HydrophobicContact CD2-CB 4.2Å; H498-K536 HydrophobicContact CB-CB 4.23Å; H498-K536 HydrophobicContact CB-CG 4.33Å; I500-K536 HydrophobicContact CD1-CB 3.65Å; I500-K536 HydrophobicContact CD1-CG 4.05Å; D532-K536 WeakPolarHBondContact O-CG 3.48Å; D532-K536 PolarHBondContact O-N 2.63Å; F533-K536 PolarHBondContact O-N 3.16Å; K536-M538 VanDerWaalsContact C-N 3.33Å; K536-E539 WeakPolarHBondContact CD-OE1 3.31Å; K536-E539 WeakPolarHBondContact CD-OE2 3.29Å; K536-E539 IonicContact NZ-OE1 3.69Å; K536-E539 PolarHBondContact NZ-OE1 2.79Å; K536-E539 IonicContact NZ-OE2 3.46Å; K536-E539 PolarHBondContact NZ-OE2 2.86Å; K536-E539 PolarHBondContact O-N 3.16Å; K536-V540 WeakPolarHBondContact O-CG2 3.34Å; K536-V540 PolarHBondContact O-N 3.46Å; K536-V540 VanDerWaalsContact O-N 3.13Å
537	L	98.6	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-44.5	168.9	178	60.2	0	0	0	110.6	L462 L467 I479 V490 L494 L517 F533 V540 W541	L462-L537 HydrophobicContact CD2-CD2 3.88Å; L467-L537 HydrophobicContact CD1-CD2 3.68Å; L467-L537 HydrophobicContact CD1-CG 4.16Å; I479-L537 HydrophobicContact CD1-CD2 3.59Å; V490-L537 HydrophobicContact CG1-CD1 3.98Å; L494-L537 HydrophobicContact CD1-CD1 3.91Å; L517-L537 HydrophobicContact CD1-CD1 3.85Å; F533-L537 HydrophobicContact CD1-CB 4.43Å; F533-L537 HydrophobicContact CE1-CB 3.99Å; F533-L537 HydrophobicContact CE1-CD2 3.66Å; F533-L537 HydrophobicContact CE1-CG 4.42Å; F533-L537 HydrophobicContact CZ-CB 4.4Å; F533-L537 HydrophobicContact CZ-CD2 4.13Å; F533-L537 VanDerWaalsContact O-CB 3.3Å; F533-L537 WeakPolarHBondContact O-CB 3.39Å; F533-L537 PolarHBondContact O-N 2.99Å; L537-V540 PolarHBondContact O-N 3.34Å; L537-W541 HydrophobicContact CD1-CE3 4.04Å; L537-W541 WeakPolarHBondContact O-CB 3.35Å; L537-W541 PolarHBondContact O-N 3.07Å
538	M	97.9	Very high	97.3	Very high	23 Å²	23	48.4 Å²	48.4	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-41.4	178.7	-74.8	-64	-67.7	0	0	113.4	K465 L467 V534 G535 K536 V540 W541 Q542 L548	K465-M538 HydrophobicContact CB-CE 4.02Å; K465-M538 HydrophobicContact CB-CG 3.99Å; K465-M538 HydrophobicContact CB-SD 3.73Å; K465-M538 HydrophobicContact CG-CG 4.12Å; K465-M538 WeakPolarHBondContact O-CE 3.22Å; L467-M538 HydrophobicContact CD1-CG 4.33Å; L467-M538 HydrophobicContact CD1-SD 3.81Å; L467-M538 HydrophobicContact CD2-SD 3.72Å; L467-M538 HydrophobicContact CG-SD 3.57Å; L467-M538 VanDerWaalsContact CG-SD 3.57Å; V534-M538 WeakPolarHBondContact O-CB 3.32Å; V534-M538 VanDerWaalsContact O-CG 3.24Å; V534-M538 WeakPolarHBondContact O-CG 3.32Å; V534-M538 PolarHBondContact O-N 3.1Å; G535-M538 PolarHBondContact O-N 3.26Å; K536-M538 VanDerWaalsContact C-N 3.33Å; M538-V540 PolarHBondContact O-N 2.98Å; M538-W541 PolarHBondContact O-N 3.45Å; M538-Q542 WeakPolarHBondContact O-CG 3.26Å; M538-Q542 PolarHBondContact O-N 2.96Å; M538-Q542 VanDerWaalsContact O-N 3.13Å; M538-L548 HydrophobicContact CE-CD1 3.79Å; M538-L548 HydrophobicContact CE-CD2 3.99Å; M538-L548 HydrophobicContact SD-CD2 4.07Å
539	E	98	Very high	96.7	Very high	89 Å²	89	49 Å²	49	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-54.5	-50.8	172.8	-75.5	168.5	-152.3	0	0	111	H498 G535 K536 E543	H498-E539 IonicContact CE1-OE2 3.94Å; G535-E539 PolarHBondContact O-N 2.93Å; K536-E539 WeakPolarHBondContact CD-OE1 3.31Å; K536-E539 WeakPolarHBondContact CD-OE2 3.29Å; K536-E539 IonicContact NZ-OE1 3.69Å; K536-E539 PolarHBondContact NZ-OE1 2.79Å; K536-E539 IonicContact NZ-OE2 3.46Å; K536-E539 PolarHBondContact NZ-OE2 2.86Å; K536-E539 PolarHBondContact O-N 3.16Å; E539-E543 WeakPolarHBondContact O-CB 3.32Å; E539-E543 PolarHBondContact O-N 3.05Å; E539-E543 VanDerWaalsContact O-N 3.1Å
540	V	98.4	Very high	95.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-72	-36.8	-177.9	178.3	0	0	0	0	112.5	V490 I493 L494 K536 L537 M538 Q542 E543 V544	V490-V540 HydrophobicContact CB-CG1 4.26Å; V490-V540 HydrophobicContact CG1-CG1 3.97Å; V490-V540 HydrophobicContact CG2-CG1 4.25Å; I493-V540 HydrophobicContact CB-CG1 3.81Å; I493-V540 HydrophobicContact CB-CG2 4.4Å; I493-V540 HydrophobicContact CD1-CG1 4.26Å; I493-V540 HydrophobicContact CG2-CB 4.28Å; I493-V540 HydrophobicContact CG2-CG1 3.72Å; I493-V540 HydrophobicContact CG2-CG2 3.52Å; L494-V540 HydrophobicContact CD2-CB 4.33Å; L494-V540 HydrophobicContact CD2-CG2 3.85Å; L494-V540 HydrophobicContact CG-CB 4.39Å; L494-V540 HydrophobicContact CG-CG1 4.44Å; L494-V540 HydrophobicContact CG-CG2 4.17Å; K536-V540 WeakPolarHBondContact O-CG2 3.34Å; K536-V540 PolarHBondContact O-N 3.46Å; K536-V540 VanDerWaalsContact O-N 3.13Å; L537-V540 PolarHBondContact O-N 3.34Å; M538-V540 PolarHBondContact O-N 2.98Å; V540-Q542 VanDerWaalsContact C-N 3.34Å; V540-Q542 PolarHBondContact O-N 2.81Å; V540-E543 PolarHBondContact O-N 3.03Å; V540-V544 HydrophobicContact CG1-CG2 4.21Å; V540-V544 WeakPolarHBondContact O-CB 3.5Å; V540-V544 WeakPolarHBondContact O-CG2 3.31Å; V540-V544 PolarHBondContact O-N 3.42Å
541	W	98	Very high	93.3	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-42.8	178.9	-165.1	-85.8	0	0	0	111.7	L467 P468 I479 V481 L517 L537 M538 G545 L546 P547	L467-W541 HydrophobicContact CD2-CB 4.38Å; L467-W541 HydrophobicContact CD2-CD2 3.56Å; L467-W541 HydrophobicContact CD2-CE3 3.91Å; L467-W541 HydrophobicContact CD2-CG 3.78Å; L467-W541 HydrophobicContact CD2-CZ2 4.46Å; L467-W541 HydrophobicContact CD2-CZ3 4.47Å; P468-W541 HydrophobicContact CG-CH2 3.77Å; P468-W541 HydrophobicContact CG-CZ2 3.43Å; P468-W541 VanDerWaalsContact CG-CZ2 3.43Å; I479-W541 HydrophobicContact CG2-CH2 3.85Å; I479-W541 HydrophobicContact CG2-CZ3 3.95Å; V481-W541 HydrophobicContact CG2-CH2 3.81Å; V481-W541 HydrophobicContact CG2-CZ3 3.89Å; L517-W541 HydrophobicContact CD1-CZ3 4.22Å; L537-W541 HydrophobicContact CD1-CE3 4.04Å; L537-W541 WeakPolarHBondContact O-CB 3.35Å; L537-W541 PolarHBondContact O-N 3.07Å; M538-W541 PolarHBondContact O-N 3.45Å; W541-G545 PolarHBondContact O-N 3.49Å; W541-L546 HydrophobicContact CD2-CB 3.89Å; W541-L546 HydrophobicContact CD2-CD1 3.85Å; W541-L546 VanDerWaalsContact CE2-CB 3.44Å; W541-L546 HydrophobicContact CE3-CD1 3.86Å; W541-L546 HydrophobicContact CG-CB 4Å; W541-L546 HydrophobicContact CG-CD1 4.47Å; W541-L546 HydrophobicContact CH2-CD1 4.05Å; W541-L546 HydrophobicContact CZ2-CB 3.89Å; W541-L546 HydrophobicContact CZ2-CD1 4.02Å; W541-L546 HydrophobicContact CZ2-CG 4.49Å; W541-L546 HydrophobicContact CZ3-CD1 3.97Å; W541-L546 VanDerWaalsContact NE1-CB 3.31Å; W541-L546 PolarHBondContact NE1-O 3.43Å; W541-L546 PolarHBondContact O-N 3.04Å; W541-L546 VanDerWaalsContact O-N 3.07Å; W541-P547 PolarHBondContact NE1-O 3.05Å
542	Q	96.7	Very high	91.2	Very high	124 Å²	124	57.3 Å²	57.3	58%	0.579	34%	0.343	S	S	*	.	H	α-helix	trans	-71	-41	175.9	-68.4	179.8	-5.7	0	0	112	M538 V540 V544 G545	M538-Q542 WeakPolarHBondContact O-CG 3.26Å; M538-Q542 PolarHBondContact O-N 2.96Å; M538-Q542 VanDerWaalsContact O-N 3.13Å; V540-Q542 VanDerWaalsContact C-N 3.34Å; V540-Q542 PolarHBondContact O-N 2.81Å; Q542-V544 VanDerWaalsContact C-N 3.32Å; Q542-V544 PolarHBondContact O-N 3.35Å; Q542-G545 PolarHBondContact O-N 3.39Å
543	E	97.3	Very high	89	Confident	105 Å²	105	59.2 Å²	59.2	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-37.8	176	-173.6	-173	133.3	0	0	112.9	R497 E539 V540 G545	R497-E543 IonicContact CZ-OE1 2.94Å; R497-E543 IonicContact CZ-OE2 3.73Å; R497-E543 VanDerWaalsContact CZ-OE2 3.23Å; R497-E543 IonicContact NH1-OE1 3.62Å; R497-E543 PolarHBondContact NH1-OE1 3.29Å; R497-E543 IonicContact NH1-OE2 4Å; R497-E543 PolarHBondContact NH1-OE2 2.87Å; R497-E543 IonicContact NH2-OE1 3.13Å; R497-E543 IonicContact NH2-OE2 3.65Å; R497-E543 PolarHBondContact NH2-OE2 3.3Å; E539-E543 WeakPolarHBondContact O-CB 3.32Å; E539-E543 PolarHBondContact O-N 3.05Å; E539-E543 VanDerWaalsContact O-N 3.1Å; V540-E543 PolarHBondContact O-N 3.03Å; E543-G545 PolarHBondContact O-N 3.1Å
544	V	96.8	Very high	87.2	Confident	15 Å²	15	62 Å²	62	9%	0.091	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.2	176.8	178	0	0	0	0	112.1	L486 K489 V490 I493 V540 Q542 L546	L486-V544 HydrophobicContact CB-CG1 4.17Å; L486-V544 HydrophobicContact CD2-CG1 3.83Å; L486-V544 HydrophobicContact CG-CG1 4.48Å; K489-V544 HydrophobicContact CD-CG1 4.21Å; K489-V544 HydrophobicContact CD-CG2 4.13Å; K489-V544 HydrophobicContact CG-CG2 4.14Å; V490-V544 HydrophobicContact CG2-CB 4.1Å; V490-V544 HydrophobicContact CG2-CG1 4.08Å; V490-V544 HydrophobicContact CG2-CG2 3.94Å; I493-V544 HydrophobicContact CD1-CG2 3.88Å; V540-V544 HydrophobicContact CG1-CG2 4.21Å; V540-V544 WeakPolarHBondContact O-CB 3.5Å; V540-V544 WeakPolarHBondContact O-CG2 3.31Å; V540-V544 PolarHBondContact O-N 3.42Å; Q542-V544 VanDerWaalsContact C-N 3.32Å; Q542-V544 PolarHBondContact O-N 3.35Å; V544-L546 HydrophobicContact CG1-CD1 4.27Å; V544-L546 HydrophobicContact CG1-CG 4.17Å
545	G	95.9	Very high	85.3	Confident	62 Å²	62	63.5 Å²	63.5	64%	0.639	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	23.5	176.3	0	0	0	0	0	114.2	W541 Q542 E543	W541-G545 PolarHBondContact O-N 3.49Å; Q542-G545 PolarHBondContact O-N 3.39Å; E543-G545 PolarHBondContact O-N 3.1Å
546	L	95.3	Very high	83.4	Confident	17 Å²	17	62.4 Å²	62.4	9%	0.089	38%	0.379	C	S	.	.			trans	-77.5	142.4	179.7	-72	169.1	0	0	0	111.4	V481 L486 V490 W541 V544	V481-L546 HydrophobicContact CG1-CD1 3.93Å; V481-L546 HydrophobicContact CG1-CD2 3.94Å; L486-L546 HydrophobicContact CB-CD2 4.15Å; L486-L546 HydrophobicContact CD1-CD2 3.7Å; V490-L546 HydrophobicContact CG2-CD1 3.72Å; W541-L546 HydrophobicContact CD2-CB 3.89Å; W541-L546 HydrophobicContact CD2-CD1 3.85Å; W541-L546 VanDerWaalsContact CE2-CB 3.44Å; W541-L546 HydrophobicContact CE3-CD1 3.86Å; W541-L546 HydrophobicContact CG-CB 4Å; W541-L546 HydrophobicContact CG-CD1 4.47Å; W541-L546 HydrophobicContact CH2-CD1 4.05Å; W541-L546 HydrophobicContact CZ2-CB 3.89Å; W541-L546 HydrophobicContact CZ2-CD1 4.02Å; W541-L546 HydrophobicContact CZ2-CG 4.49Å; W541-L546 HydrophobicContact CZ3-CD1 3.97Å; W541-L546 VanDerWaalsContact NE1-CB 3.31Å; W541-L546 PolarHBondContact NE1-O 3.43Å; W541-L546 PolarHBondContact O-N 3.04Å; W541-L546 VanDerWaalsContact O-N 3.07Å; V544-L546 HydrophobicContact CG1-CD1 4.27Å; V544-L546 HydrophobicContact CG1-CG 4.17Å
547	P	92.2	Very high	81.9	Confident	99 Å²	99	64.5 Å²	64.5	64%	0.643	39%	0.393	S	S	*	.			trans	-70.2	155.6	-179.6	30.2	-35.7	0	0	0	112.1	W541	W541-P547 PolarHBondContact NE1-O 3.05Å
548	L	91.9	Very high	80.1	Confident	70 Å²	70	68.1 Å²	68.1	37%	0.366	41%	0.409	S	S	.	.			trans	-107.7	149.8	168.4	-63.9	171	0	0	0	109.2	G466 L467 M538	G466-L548 CarbonylContact O-C 3.56Å; G466-L548 WeakPolarHBondContact O-CA 3.34Å; L467-L548 HydrophobicContact CD2-CD2 3.97Å; L467-L548 HydrophobicContact CG-CD2 4.35Å; M538-L548 HydrophobicContact CE-CD1 3.79Å; M538-L548 HydrophobicContact CE-CD2 3.99Å; M538-L548 HydrophobicContact SD-CD2 4.07Å
549	N	85.6	Confident	78.3	Confident	95 Å²	95	70.1 Å²	70.1	51%	0.508	42%	0.424	S	S	.	.			trans	-72.1	144.6	173	-78.6	-1	0	0	0	110.5	G466	G466-N549 PolarHBondContact O-N 3.41Å
550	S	68.1	Low	76.6	Confident	111 Å²	111	72.1 Å²	72.1	78%	0.776	44%	0.438	S	S	*	.			trans	-63.1	146.4	157.2	49	0	0	0	0	109.5	G552	S550-G552 PolarHBondContact O-N 2.99Å
551	L	58.5	Low	74.5	Confident	158 Å²	158	79.7 Å²	79.7	83%	0.827	47%	0.466	S	S	*	.	S	Bend	trans	-58.5	105	179	-69.8	167.3	0	0	0	109.9
552	G	53.8	Low	72.1	Confident	63 Å²	63	84.5 Å²	84.5	65%	0.649	50%	0.498	S	S	*	.			trans	-113.9	168.3	-167.4	0	0	0	0	0	114.2	S550	S550-G552 PolarHBondContact O-N 2.99Å
553	T	52.6	Low	69.9	Low	125 Å²	125	79.9 Å²	79.9	77%	0.767	48%	0.477	S	S	*	.			trans	-66.6	136.4	-169.2	45.1	0	0	0	0	114.3	S555	T553-S555 PolarHBondContact O-N 3.49Å
554	A	59.4	Low	67.2	Low	57 Å²	57	82.5 Å²	82.5	47%	0.471	49%	0.489	S	S	.	.			trans	-79.9	52.8	-176.2	0	0	0	0	0	114.3	L563	A554-L563 HydrophobicContact CB-CD1 4.28Å; A554-L563 WeakPolarHBondContact O-CG 3.49Å; A554-L563 PolarHBondContact O-N 3.22Å
555	S	58.8	Low	64.8	Low	37 Å²	37	85.1 Å²	85.1	26%	0.259	50%	0.499	S	S	.	.	B	Isolated β-bridge	trans	-110.8	134.9	175.6	49.2	0	0	0	0	111	N471 T553 N557	N471-S555 PolarHBondContact ND2-O 3.25Å; T553-S555 PolarHBondContact O-N 3.49Å; S555-N557 PolarHBondContact O-N 3.29Å
556	C	59.5	Low	62	Low	5 Å²	5	84.7 Å²	84.7	3%	0.034	48%	0.482	C	S	.	.			trans	-62.6	128	-177.1	178.1	0	0	0	0	112.1	F558 C559 D560 R561	C556-F558 PolarHBondContact O-N 3.18Å; C556-C559 PolarHBondContact O-N 2.96Å; C556-C559 VanDerWaalsContact SG-SG 3.6Å; C556-D560 WeakPolarHBondContact O-CA 3.29Å; C556-D560 PolarHBondContact O-N 3.48Å; C556-R561 PolarHBondContact N-O 3.08Å
557	N	65.8	Low	59.3	Low	98 Å²	98	91.3 Å²	91.3	52%	0.524	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.1	-174.3	-70.6	4.6	0	0	0	114.8	N471 S555	N471-N557 WeakPolarHBondContact CB-OD1 3.45Å; N471-N557 PolarHBondContact N-ND2 3.07Å; N471-N557 PolarHBondContact O-N 3.16Å; S555-N557 PolarHBondContact O-N 3.29Å
558	F	62.3	Low	56.6	Low	75 Å²	75	88.2 Å²	88.2	33%	0.329	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-13.6	-173.3	-64.9	-81	0	0	0	114.4	D335 A337 V470 C472 C556	D335-F558 HydrophobicContact CB-CE1 4.34Å; D335-F558 HydrophobicContact CB-CE2 4.22Å; D335-F558 HydrophobicContact CB-CZ 3.59Å; A337-F558 HydrophobicContact CB-CB 4.38Å; A337-F558 HydrophobicContact CB-CD1 4.05Å; A337-F558 HydrophobicContact CB-CD2 4.01Å; A337-F558 HydrophobicContact CB-CE1 4.41Å; A337-F558 HydrophobicContact CB-CE2 4.36Å; A337-F558 HydrophobicContact CB-CG 3.85Å; V470-F558 HydrophobicContact CG1-CE2 3.79Å; V470-F558 HydrophobicContact CG1-CZ 4.13Å; C472-F558 HydrophobicContact CB-CD2 4.33Å; C472-F558 HydrophobicContact CB-CE2 4.21Å; C556-F558 PolarHBondContact O-N 3.18Å
559	C	59.8	Low	54.4	Low	65 Å²	65	87 Å²	87	44%	0.439	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.5	6.9	-175.8	64.7	0	0	0	0	114.5	C556 R561	C556-C559 PolarHBondContact O-N 2.96Å; C556-C559 VanDerWaalsContact SG-SG 3.6Å; C559-R561 HydrophobicContact CB-CG 4.42Å; C559-R561 PolarHBondContact O-N 3.16Å
560	D	61.1	Low	52.4	Low	132 Å²	132	89.9 Å²	89.9	71%	0.706	50%	0.502	S	S	*	.			trans	54	0.7	-179.4	-60.2	-40.2	0	0	0	116.5	C556	C556-D560 WeakPolarHBondContact O-CA 3.29Å; C556-D560 PolarHBondContact O-N 3.48Å
561	R	56	Low	51.3	Low	158 Å²	158	89.3 Å²	89.3	60%	0.596	48%	0.483	S	S	*	.			trans	-62.5	134.7	176.2	-61	-173.9	-171.5	-177.4	5.1	109.5	E343 C556 C559	E343-R561 IonicContact OE1-NH2 3.26Å; C556-R561 PolarHBondContact N-O 3.08Å; C559-R561 HydrophobicContact CB-CG 4.42Å; C559-R561 PolarHBondContact O-N 3.16Å
562	P	47.5	Very low	50.6	Low	104 Å²	104	83.9 Å²	83.9	68%	0.675	45%	0.453	S	S	*	.	B	Isolated β-bridge	trans	-55.5	142.4	170	-24.7	34.1	0	0	0	111.3	H564	P562-H564 VanDerWaalsContact C-N 3.29Å; P562-H564 PolarHBondContact O-N 3.48Å
563	L	49.2	Very low	50.3	Low	27 Å²	27	83.8 Å²	83.8	14%	0.141	44%	0.435	C	S	.	.			trans	-70.6	84.6	168.5	-62.5	178.1	0	0	0	109.5	N471 A554 F565	N471-L563 VanDerWaalsContact ND2-CD1 3.34Å; N471-L563 WeakPolarHBondContact ND2-CD1 3.46Å; N471-L563 WeakPolarHBondContact OD1-CD1 3.42Å; N471-L563 WeakPolarHBondContact OD1-CD2 3.45Å; A554-L563 HydrophobicContact CB-CD1 4.28Å; A554-L563 WeakPolarHBondContact O-CG 3.49Å; A554-L563 PolarHBondContact O-N 3.22Å; L563-F565 HydrophobicContact CB-CD1 4.13Å; L563-F565 HydrophobicContact CB-CD2 3.93Å; L563-F565 HydrophobicContact CB-CE1 4.03Å; L563-F565 HydrophobicContact CB-CE2 3.84Å; L563-F565 HydrophobicContact CB-CG 4.07Å; L563-F565 HydrophobicContact CB-CZ 3.89Å; L563-F565 HydrophobicContact CD1-CD2 4.17Å; L563-F565 HydrophobicContact CD1-CE1 4.38Å; L563-F565 HydrophobicContact CD1-CE2 3.35Å; L563-F565 HydrophobicContact CD1-CZ 3.48Å; L563-F565 VanDerWaalsContact CD1-CZ 3.48Å; L563-F565 HydrophobicContact CD2-CE1 4.05Å; L563-F565 HydrophobicContact CD2-CE2 4.5Å; L563-F565 HydrophobicContact CD2-CZ 3.83Å; L563-F565 HydrophobicContact CG-CE1 4.37Å; L563-F565 HydrophobicContact CG-CE2 4.09Å; L563-F565 HydrophobicContact CG-CZ 3.92Å; L563-F565 PolarHBondContact O-N 3.42Å
564	H	41	Very low	49.9	Very low	160 Å²	160	83 Å²	83	74%	0.741	44%	0.435	S	S	*	.			trans	-74.1	76.7	174.3	-143.4	-70.4	0	0	0	110.4	P562 D566	P562-H564 VanDerWaalsContact C-N 3.29Å; P562-H564 PolarHBondContact O-N 3.48Å; H564-D566 IonicContact CE1-OD1 3.83Å; H564-D566 PolarHBondContact CE1-OD1 2.98Å; H564-D566 IonicContact ND1-OD1 2.81Å; H564-D566 PolarHBondContact ND1-OD1 3.39Å; H564-D566 PolarHBondContact O-N 3.19Å
565	F	46.7	Very low	48.9	Very low	70 Å²	70	86.5 Å²	86.5	31%	0.307	44%	0.436	S	S	.	.			trans	-81.5	59.2	-173.7	-81.8	-18.1	0	0	0	112.3	K456 L563	K456-F565 VanDerWaalsContact NZ-C 3.34Å; K456-F565 PolarHBondContact NZ-O 3.48Å; L563-F565 HydrophobicContact CB-CD1 4.13Å; L563-F565 HydrophobicContact CB-CD2 3.93Å; L563-F565 HydrophobicContact CB-CE1 4.03Å; L563-F565 HydrophobicContact CB-CE2 3.84Å; L563-F565 HydrophobicContact CB-CG 4.07Å; L563-F565 HydrophobicContact CB-CZ 3.89Å; L563-F565 HydrophobicContact CD1-CD2 4.17Å; L563-F565 HydrophobicContact CD1-CE1 4.38Å; L563-F565 HydrophobicContact CD1-CE2 3.35Å; L563-F565 HydrophobicContact CD1-CZ 3.48Å; L563-F565 VanDerWaalsContact CD1-CZ 3.48Å; L563-F565 HydrophobicContact CD2-CE1 4.05Å; L563-F565 HydrophobicContact CD2-CE2 4.5Å; L563-F565 HydrophobicContact CD2-CZ 3.83Å; L563-F565 HydrophobicContact CG-CE1 4.37Å; L563-F565 HydrophobicContact CG-CE2 4.09Å; L563-F565 HydrophobicContact CG-CZ 3.92Å; L563-F565 PolarHBondContact O-N 3.42Å
566	D	36.6	Very low	48.1	Very low	53 Å²	53	87.4 Å²	87.4	28%	0.283	44%	0.436	S	S	.	.			trans	-58.2	151.8	162.5	-77.7	48.7	0	0	0	110.8	K456 H564 M568 K573	K456-D566 PolarHBondContact NZ-O 3.5Å; H564-D566 IonicContact CE1-OD1 3.83Å; H564-D566 PolarHBondContact CE1-OD1 2.98Å; H564-D566 IonicContact ND1-OD1 2.81Å; H564-D566 PolarHBondContact ND1-OD1 3.39Å; H564-D566 PolarHBondContact O-N 3.19Å; D566-M568 WeakPolarHBondContact CB-O 3.26Å; D566-M568 PolarHBondContact O-N 3.16Å; D566-K573 IonicContact OD2-NZ 2.72Å; D566-K573 PolarHBondContact OD2-NZ 3.22Å
567	L	38.1	Very low	47.2	Very low	155 Å²	155	88.7 Å²	88.7	81%	0.812	45%	0.45	S	S	*	.	S	Bend	trans	-67.6	-20.4	174.3	-73.4	166.4	0	0	0	112.9
568	M	36.9	Very low	46	Very low	35 Å²	35	90.1 Å²	90.1	17%	0.172	46%	0.458	C	S	.	.	S	Bend	trans	-140.5	128.4	160.3	-69.9	176.5	-68.2	0	0	107.1	D566 E572 K573 M579	D566-M568 WeakPolarHBondContact CB-O 3.26Å; D566-M568 PolarHBondContact O-N 3.16Å; M568-E572 HydrophobicContact CB-CB 3.91Å; M568-E572 HydrophobicContact CG-CB 4.42Å; M568-K573 HydrophobicContact CB-CG 3.9Å; M568-K573 HydrophobicContact CE-CG 4.38Å; M568-K573 WeakPolarHBondContact O-CE 3.25Å; M568-M579 HydrophobicContact CE-CB 4.42Å; M568-M579 WeakPolarHBondContact CE-O 3.33Å; M568-M579 HydrophobicContact SD-CB 4.3Å; M568-M579 HydrophobicContact SD-CE 4.25Å
569	S	44.3	Very low	45	Very low	43 Å²	43	91.9 Å²	91.9	30%	0.301	47%	0.468	S	S	.	.			trans	-56	159.5	170.2	58.1	0	0	0	0	111.8	W571 E572 K573	S569-W571 PolarHBondContact O-N 3.15Å; S569-E572 WeakPolarHBondContact CB-OE2 3.37Å; S569-E572 PolarHBondContact N-OE2 3.27Å; S569-E572 PolarHBondContact O-N 3.35Å; S569-E572 WeakPolarHBondContact OG-CG 3.28Å; S569-E572 PolarHBondContact OG-N 3Å; S569-E572 VanDerWaalsContact OG-N 3.15Å; S569-E572 PolarHBondContact OG-OE2 3.48Å; S569-K573 WeakPolarHBondContact O-CG 3.37Å; S569-K573 PolarHBondContact O-N 3.38Å
570	E	43.9	Very low	43.5	Very low	156 Å²	156	96.4 Å²	96.4	73%	0.729	48%	0.483	S	S	*	.	H	α-helix	trans	-58.7	-32.9	174.6	-65.6	-163.6	133.7	0	0	112.4	K573 S574	E570-K573 PolarHBondContact O-N 3.11Å; E570-S574 WeakPolarHBondContact O-CB 3.31Å; E570-S574 PolarHBondContact O-N 3.14Å
571	W	46.3	Very low	42.2	Very low	99 Å²	99	95.5 Å²	95.5	38%	0.375	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-45.7	170.9	178.9	90.5	0	0	0	111.9	R376 S569 S574 Y575 F576	R376-W571 HydrophobicContact CG-CH2 4.32Å; R376-W571 HydrophobicContact CG-CZ2 4.02Å; R376-W571 PolarHBondContact O-NE1 3.14Å; R376-W571 VanDerWaalsContact O-NE1 3.15Å; S569-W571 PolarHBondContact O-N 3.15Å; W571-S574 PolarHBondContact O-N 3.17Å; W571-Y575 WeakPolarHBondContact O-CB 3.18Å; W571-Y575 PolarHBondContact O-N 3.48Å; W571-F576 HydrophobicContact CH2-CE2 4.18Å; W571-F576 HydrophobicContact CZ3-CE2 4.01Å
572	E	42.7	Very low	41	Very low	44 Å²	44	95.3 Å²	95.3	21%	0.206	49%	0.49	C	S	.	.	H	α-helix	trans	-63.6	-45.5	174.7	-78.6	161	123.3	0	0	112.4	M568 S569 S574 Y575 F576	M568-E572 HydrophobicContact CB-CB 3.91Å; M568-E572 HydrophobicContact CG-CB 4.42Å; S569-E572 WeakPolarHBondContact CB-OE2 3.37Å; S569-E572 PolarHBondContact N-OE2 3.27Å; S569-E572 PolarHBondContact O-N 3.35Å; S569-E572 WeakPolarHBondContact OG-CG 3.28Å; S569-E572 PolarHBondContact OG-N 3Å; S569-E572 VanDerWaalsContact OG-N 3.15Å; S569-E572 PolarHBondContact OG-OE2 3.48Å; E572-S574 VanDerWaalsContact C-N 3.33Å; E572-S574 PolarHBondContact O-N 3.34Å; E572-Y575 PolarHBondContact O-N 3.4Å; E572-F576 HydrophobicContact CB-CD2 4.33Å; E572-F576 HydrophobicContact CG-CD2 4.32Å; E572-F576 HydrophobicContact CG-CE2 4.44Å; E572-F576 WeakPolarHBondContact O-CB 3.23Å; E572-F576 PolarHBondContact O-N 3.45Å
573	K	48.3	Very low	40.2	Very low	61 Å²	61	100 Å²	100	27%	0.265	50%	0.496	S	S	.	.	H	α-helix	trans	-59.5	-43.2	176	-65.7	170.2	-173.4	151.1	0	111.4	D566 M568 S569 E570 G577	D566-K573 IonicContact OD2-NZ 2.72Å; D566-K573 PolarHBondContact OD2-NZ 3.22Å; M568-K573 HydrophobicContact CB-CG 3.9Å; M568-K573 HydrophobicContact CE-CG 4.38Å; M568-K573 WeakPolarHBondContact O-CE 3.25Å; S569-K573 WeakPolarHBondContact O-CG 3.37Å; S569-K573 PolarHBondContact O-N 3.38Å; E570-K573 PolarHBondContact O-N 3.11Å; K573-G577 CarbonylContact O-C 3.49Å; K573-G577 WeakPolarHBondContact O-CA 3.44Å; K573-G577 PolarHBondContact O-N 3.15Å
574	S	43.5	Very low	39.3	Very low	109 Å²	109	105.1 Å²	105.1	76%	0.762	52%	0.522	S	S	*	.	H	α-helix	trans	-73.8	-28.4	-178.6	-174.8	0	0	0	0	113.6	E570 W571 E572	E570-S574 WeakPolarHBondContact O-CB 3.31Å; E570-S574 PolarHBondContact O-N 3.14Å; W571-S574 PolarHBondContact O-N 3.17Å; E572-S574 VanDerWaalsContact C-N 3.33Å; E572-S574 PolarHBondContact O-N 3.34Å
575	Y	38.4	Very low	38.6	Very low	130 Å²	130	103.7 Å²	103.7	51%	0.51	53%	0.525	S	S	.	.	H	α-helix	trans	-100.5	-28.7	-173.9	-157.6	-84.8	0	0	0	113.5	A368 W571 E572	A368-Y575 HydrophobicContact CB-CE1 3.64Å; A368-Y575 WeakPolarHBondContact CB-OH 3.33Å; W571-Y575 WeakPolarHBondContact O-CB 3.18Å; W571-Y575 PolarHBondContact O-N 3.48Å; E572-Y575 PolarHBondContact O-N 3.4Å
576	F	42.5	Very low	37.9	Very low	56 Å²	56	106.4 Å²	106.4	25%	0.246	55%	0.547	C	S	.	.	H	α-helix	trans	-116.1	-6	179.7	-55.1	-68.7	0	0	0	113.9	R449 W571 E572	R449-F576 VanDerWaalsContact NH1-CD1 3.32Å; W571-F576 HydrophobicContact CH2-CE2 4.18Å; W571-F576 HydrophobicContact CZ3-CE2 4.01Å; E572-F576 HydrophobicContact CB-CD2 4.33Å; E572-F576 HydrophobicContact CG-CD2 4.32Å; E572-F576 HydrophobicContact CG-CE2 4.44Å; E572-F576 WeakPolarHBondContact O-CB 3.23Å; E572-F576 PolarHBondContact O-N 3.45Å
577	G	40.3	Very low	37.5	Very low	33 Å²	33	109.2 Å²	109.2	34%	0.34	57%	0.571	S	S	.	*			trans	85	165.6	-176.5	0	0	0	0	0	113.6	K573 M579	K573-G577 CarbonylContact O-C 3.49Å; K573-G577 WeakPolarHBondContact O-CA 3.44Å; K573-G577 PolarHBondContact O-N 3.15Å; G577-M579 PolarHBondContact O-N 3.4Å; G577-M579 VanDerWaalsContact O-N 3.17Å
578	N	40.3	Very low	37.2	Very low	128 Å²	128	110.1 Å²	110.1	68%	0.684	60%	0.6	S	S	*	*			trans	-71.7	105.5	169.6	-86.4	-9.5	0	0	0	110
579	M	41	Very low	37.2	Very low	111 Å²	111	113.9 Å²	113.9	55%	0.547	62%	0.622	S	S	.	*			trans	-82	113.8	157.7	-63.8	-171.4	-63.1	0	0	109	M568 G577	M568-M579 HydrophobicContact CE-CB 4.42Å; M568-M579 WeakPolarHBondContact CE-O 3.33Å; M568-M579 HydrophobicContact SD-CB 4.3Å; M568-M579 HydrophobicContact SD-CE 4.25Å; G577-M579 PolarHBondContact O-N 3.4Å; G577-M579 VanDerWaalsContact O-N 3.17Å
580	E	29.3	Very low	36.9	Very low	160 Å²	160	117.6 Å²	117.6	75%	0.748	64%	0.639	S	S	*	*			trans	-62.3	155.2	169.4	-73.6	-169.9	160.1	0	0	111.4	Q582	E580-Q582 PolarHBondContact O-N 2.65Å
581	P	32.9	Very low	36.5	Very low	113 Å²	113	115.4 Å²	115.4	73%	0.734	63%	0.634	S	S	*	*			trans	-74.6	66.3	-176	32.4	-37.6	0	0	0	112.9	Y583	P581-Y583 PolarHBondContact O-N 3.27Å
582	Q	30.5	Very low	35.9	Very low	154 Å²	154	116.4 Å²	116.4	72%	0.72	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	127.1	162.6	-63.2	-171.8	-0.9	0	0	108.5	E580	E580-Q582 PolarHBondContact O-N 2.65Å
583	Y	32.4	Very low	35.5	Very low	204 Å²	204	120.9 Å²	120.9	80%	0.8	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.9	53.6	-178.3	-47.8	-74	0	0	0	117.4	P581	P581-Y583 PolarHBondContact O-N 3.27Å
584	I	30.2	Very low	34.6	Very low	134 Å²	134	124.9 Å²	124.9	69%	0.687	70%	0.704	S	S	*	*			trans	-123.5	69.7	137.4	-48.7	-179.4	0	0	0	109.4	V586	I584-V586 HydrophobicContact CG2-CG2 4.17Å; I584-V586 PolarHBondContact O-N 2.68Å
585	T	26.2	Very low	34	Very low	130 Å²	130	126.1 Å²	126.1	80%	0.798	70%	0.7	S	S	*	*			trans	-85.2	99	164.6	46	0	0	0	0	108.8	S587	T585-S587 PolarHBondContact O-N 2.61Å
586	V	31.8	Very low	33.6	Very low	127 Å²	127	125.8 Å²	125.8	77%	0.77	71%	0.714	S	S	*	*			trans	-66.1	127.3	172.1	-174.2	0	0	0	0	108.9	I584	I584-V586 HydrophobicContact CG2-CG2 4.17Å; I584-V586 PolarHBondContact O-N 2.68Å
587	S	27.7	Very low	32.9	Very low	112 Å²	112	131.6 Å²	131.6	78%	0.783	75%	0.753	S	S	*	*			trans	-78.7	129.9	163.8	52.8	0	0	0	0	109.3	T585	T585-S587 PolarHBondContact O-N 2.61Å
588	A	32.2	Very low	32.2	Very low	173 Å²	173	140.5 Å²	140.5	100%	1.43	79%	0.791	S	S	*	*			trans	-71.9	0	177.6	0	0	0	0	0	113.2

Retrieved 588 of 588 residues in 1017.3 ms (Link to these results)

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