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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 A0A060YCC5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 594 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	48.2	Very low	212 Å²	212	104.5 Å²	104.5	100%	1.044	57%	0.568	S	S	*	*				0	-45.3	0	-88.7	170.3	82.3	0	0	113.9	A3 F4	M1-A3 PolarHBondContact O-N 3.27Å; M1-F4 PolarHBondContact O-N 3.49Å
2	A	39.5	Very low	48.7	Very low	79 Å²	79	108.6 Å²	108.6	65%	0.653	58%	0.576	S	S	*	*	H	α-helix	trans	-63.5	-36.4	-178.6	0	0	0	0	0	114.6	F4 H6	A2-F4 PolarHBondContact O-N 3.42Å; A2-H6 PolarHBondContact O-CD2 3.34Å
3	A	45.6	Very low	48.8	Very low	78 Å²	78	108 Å²	108	65%	0.645	59%	0.586	S	S	*	*	H	α-helix	trans	-70.2	-29.5	178.4	0	0	0	0	0	114	M1 L5 H6 H7	M1-A3 PolarHBondContact O-N 3.27Å; A3-L5 PolarHBondContact O-N 3.15Å; A3-H6 PolarHBondContact O-N 3.5Å; A3-H7 PolarHBondContact O-ND1 3.45Å
4	F	46.2	Very low	49.1	Very low	84 Å²	84	102.8 Å²	102.8	37%	0.368	57%	0.565	S	S	.	*	H	α-helix	trans	-66.8	-35.8	-177.9	-178.5	-98	0	0	0	112.8	M1 A2 H6 L11 A30 I36	M1-F4 PolarHBondContact O-N 3.49Å; A2-F4 PolarHBondContact O-N 3.42Å; F4-H6 VanDerWaalsContact C-N 3.34Å; F4-H6 PolarHBondContact O-N 3.48Å; F4-L11 HydrophobicContact CE1-CD1 4.38Å; F4-A30 HydrophobicContact CE2-CB 4.22Å; F4-A30 HydrophobicContact CZ-CB 3.94Å; F4-I36 HydrophobicContact CE2-CD1 4.37Å
5	L	49.7	Very low	49.6	Very low	85 Å²	85	101.8 Å²	101.8	45%	0.445	57%	0.565	S	S	.	*	H	α-helix	trans	-75.8	-20.8	-177.8	-69.5	168.8	0	0	0	113.4	A3 L11	A3-L5 PolarHBondContact O-N 3.15Å; L5-L11 HydrophobicContact CD2-CD1 4.47Å
6	H	50	Low	49.9	Very low	128 Å²	128	106.8 Å²	106.8	59%	0.593	58%	0.579	S	S	*	*	H	α-helix	trans	-83.4	-19.4	-174.7	-89.7	-76.2	0	0	0	114.6	A2 A3 F4 K12	A2-H6 PolarHBondContact O-CD2 3.34Å; A3-H6 PolarHBondContact O-N 3.5Å; F4-H6 VanDerWaalsContact C-N 3.34Å; F4-H6 PolarHBondContact O-N 3.48Å; H6-K12 WeakPolarHBondContact O-CE 3.41Å
7	H	50.1	Low	50.1	Low	149 Å²	149	106.1 Å²	106.1	69%	0.69	58%	0.582	S	S	*	*	H	α-helix	trans	-113.4	-4	-167.6	-69.3	59.4	0	0	0	114	A3 P9	A3-H7 PolarHBondContact O-ND1 3.45Å; H7-P9 WeakPolarHBondContact O-CD 3.34Å
8	C	53.5	Low	50.4	Low	35 Å²	35	104.7 Å²	104.7	24%	0.236	58%	0.576	C	S	.	*			trans	-94.1	112.7	172.5	-176.1	0	0	0	0	110.2	F10 L11	C8-F10 PolarHBondContact O-N 3.17Å; C8-L11 HydrophobicContact CB-CB 4.34Å; C8-L11 HydrophobicContact CB-CD1 4.15Å; C8-L11 HydrophobicContact CB-CG 4.28Å; C8-L11 PolarHBondContact O-N 3.42Å
9	P	51	Low	50.6	Low	112 Å²	112	101.2 Å²	101.2	73%	0.727	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-29.1	-178.8	-20.7	31.4	0	0	0	113	H7	H7-P9 WeakPolarHBondContact O-CD 3.34Å
10	F	48.2	Very low	50.7	Low	167 Å²	167	104 Å²	104	73%	0.732	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-26.6	-177.4	-161.9	-97.2	0	0	0	113.6	C8 S13	C8-F10 PolarHBondContact O-N 3.17Å; F10-S13 PolarHBondContact O-OG 3.25Å
11	L	53.8	Low	50.8	Low	21 Å²	21	108.2 Å²	108.2	11%	0.11	58%	0.583	C	S	.	*	T	Hydrogen-bonded Turn	trans	-95.7	-7.9	-178.3	-61	174.9	0	0	0	113	F4 L5 C8 S13 L19 L26	F4-L11 HydrophobicContact CE1-CD1 4.38Å; L5-L11 HydrophobicContact CD2-CD1 4.47Å; C8-L11 HydrophobicContact CB-CB 4.34Å; C8-L11 HydrophobicContact CB-CD1 4.15Å; C8-L11 HydrophobicContact CB-CG 4.28Å; C8-L11 PolarHBondContact O-N 3.42Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-L19 HydrophobicContact CD2-CD2 3.73Å; L11-L26 HydrophobicContact CD2-CD1 4.31Å; L11-L26 HydrophobicContact CD2-CD2 4.13Å
12	K	53.2	Low	51.3	Low	153 Å²	153	101.1 Å²	101.1	67%	0.665	55%	0.551	S	S	*	*	S	Bend	trans	-72.4	-22.3	174.7	-104.1	-179	176.8	175.1	0	113.4	H6	H6-K12 WeakPolarHBondContact O-CE 3.41Å
13	S	50.7	Low	52	Low	101 Å²	101	98.8 Å²	98.8	71%	0.706	54%	0.535	S	S	*	.	S	Bend	trans	-100.8	-1.7	-177.6	53.9	0	0	0	0	114.3	F10 L11	F10-S13 PolarHBondContact O-OG 3.25Å; L11-S13 VanDerWaalsContact C-N 3.31Å
14	A	52.9	Low	52.3	Low	35 Å²	35	99.2 Å²	99.2	29%	0.289	54%	0.539	S	S	.	.	S	Bend	trans	-90.4	135.4	-177.4	0	0	0	0	0	112.3	K16 L19	A14-K16 PolarHBondContact O-N 3.1Å; A14-L19 HydrophobicContact CB-CD1 4.46Å; A14-L19 HydrophobicContact CB-CD2 4.31Å; A14-L19 HydrophobicContact CB-CG 4.33Å
15	P	56.8	Low	52.7	Low	88 Å²	88	98.3 Å²	98.3	57%	0.571	55%	0.547	S	S	*	.			trans	-61.5	132.6	177.3	-20.5	30.6	0	0	0	112.4	P17 V18	P15-P17 VanDerWaalsContact C-N 3.31Å; P15-P17 WeakPolarHBondContact O-CD 3.49Å; P15-P17 VanDerWaalsContact O-N 3.07Å; P15-V18 WeakPolarHBondContact O-CB 3.41Å; P15-V18 PolarHBondContact O-N 3.25Å
16	K	53.9	Low	53	Low	181 Å²	181	97.2 Å²	97.2	79%	0.787	54%	0.541	S	S	*	.	H	α-helix	trans	-46.9	-36.2	-177.2	-75.8	-177.9	177.5	177.2	0	116.2	A14 V18	A14-K16 PolarHBondContact O-N 3.1Å; K16-V18 VanDerWaalsContact C-N 3.28Å; K16-V18 PolarHBondContact O-N 3.33Å
17	P	53.7	Low	53.1	Low	96 Å²	96	96.1 Å²	96.1	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-67	-25.3	179.2	-20	32.3	0	0	0	114.2	P15	P15-P17 VanDerWaalsContact C-N 3.31Å; P15-P17 WeakPolarHBondContact O-CD 3.49Å; P15-P17 VanDerWaalsContact O-N 3.07Å
18	V	54.8	Low	53.2	Low	80 Å²	80	92.5 Å²	92.5	49%	0.485	53%	0.53	S	S	.	.	H	α-helix	trans	-78.4	-34.7	-177	179.4	0	0	0	0	111.3	P15 K16 L20 K21 T22	P15-V18 WeakPolarHBondContact O-CB 3.41Å; P15-V18 PolarHBondContact O-N 3.25Å; K16-V18 VanDerWaalsContact C-N 3.28Å; K16-V18 PolarHBondContact O-N 3.33Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 3.3Å; V18-K21 PolarHBondContact O-N 3.41Å; V18-T22 PolarHBondContact O-N 3.38Å; V18-T22 PolarHBondContact O-OG1 3.37Å
19	L	54.2	Low	53.1	Low	38 Å²	38	97.3 Å²	97.3	20%	0.199	55%	0.551	C	S	.	*	H	α-helix	trans	-68.3	-30.1	-179.4	-69.1	169.1	0	0	0	113.1	L11 A14 G23 L26	L11-L19 HydrophobicContact CD2-CD2 3.73Å; A14-L19 HydrophobicContact CB-CD1 4.46Å; A14-L19 HydrophobicContact CB-CD2 4.31Å; A14-L19 HydrophobicContact CB-CG 4.33Å; L19-G23 PolarHBondContact O-N 3.08Å; L19-L26 HydrophobicContact CD2-CD1 4.39Å
20	L	52.6	Low	53.3	Low	157 Å²	157	92.7 Å²	92.7	82%	0.822	52%	0.522	S	S	*	.	H	α-helix	trans	-74.9	-29.6	178.8	-77.5	163.4	0	0	0	113	V18	V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 3.3Å
21	K	52.5	Low	53.2	Low	194 Å²	194	91.9 Å²	91.9	84%	0.843	53%	0.525	S	S	*	.	H	α-helix	trans	-84.6	-19.5	179.9	-87.8	-177.2	174	-178.9	0	114.3	V18	V18-K21 PolarHBondContact O-N 3.41Å
22	T	55.1	Low	53.1	Low	62 Å²	62	101.2 Å²	101.2	38%	0.38	56%	0.559	S	S	.	*	H	α-helix	trans	-117.4	4.3	-172.6	50.3	0	0	0	0	114.2	V18 A24 A25 L26	V18-T22 PolarHBondContact O-N 3.38Å; V18-T22 PolarHBondContact O-OG1 3.37Å; T22-A24 VanDerWaalsContact C-N 3.29Å; T22-A24 PolarHBondContact O-N 3.13Å; T22-A24 VanDerWaalsContact O-N 3.13Å; T22-A25 PolarHBondContact O-N 3.49Å; T22-A25 VanDerWaalsContact O-N 3.08Å; T22-L26 PolarHBondContact O-N 3.09Å
23	G	52.8	Low	53.2	Low	30 Å²	30	96 Å²	96	31%	0.309	54%	0.541	S	S	.	.	H	α-helix	trans	-55.1	-35.2	-171.3	0	0	0	0	0	115.5	L19 L27	L19-G23 PolarHBondContact O-N 3.08Å; G23-L27 WeakPolarHBondContact O-CD1 3.39Å; G23-L27 WeakPolarHBondContact O-CG 3.43Å; G23-L27 PolarHBondContact O-N 3.48Å
24	A	53.3	Low	53.3	Low	88 Å²	88	96.2 Å²	96.2	73%	0.727	54%	0.54	S	S	*	.	H	α-helix	trans	-72	-32.6	179.7	0	0	0	0	0	113.5	T22	T22-A24 VanDerWaalsContact C-N 3.29Å; T22-A24 PolarHBondContact O-N 3.13Å; T22-A24 VanDerWaalsContact O-N 3.13Å
25	A	54.7	Low	52.9	Low	65 Å²	65	101.9 Å²	101.9	54%	0.537	56%	0.563	S	S	.	*	H	α-helix	trans	-79.4	-30.3	179.4	0	0	0	0	0	112.5	T22 S28	T22-A25 PolarHBondContact O-N 3.49Å; T22-A25 VanDerWaalsContact O-N 3.08Å; A25-S28 PolarHBondContact O-OG 3.15Å
26	L	55	Low	52.8	Low	61 Å²	61	100.7 Å²	100.7	32%	0.319	55%	0.551	S	S	.	*	H	α-helix	trans	-71.1	-30.5	175.5	-87.2	156.3	0	0	0	112.8	L11 L19 T22 M29 A30	L11-L26 HydrophobicContact CD2-CD1 4.31Å; L11-L26 HydrophobicContact CD2-CD2 4.13Å; L19-L26 HydrophobicContact CD2-CD1 4.39Å; T22-L26 PolarHBondContact O-N 3.09Å; L26-M29 PolarHBondContact O-N 3.18Å; L26-A30 PolarHBondContact O-N 3.44Å
27	L	52.8	Low	52.6	Low	106 Å²	106	95.2 Å²	95.2	56%	0.555	54%	0.539	S	S	*	.	H	α-helix	trans	-66.7	-38.3	178.1	-83.7	158.9	0	0	0	112.6	G23 M29 A30	G23-L27 WeakPolarHBondContact O-CD1 3.39Å; G23-L27 WeakPolarHBondContact O-CG 3.43Å; G23-L27 PolarHBondContact O-N 3.48Å; L27-M29 PolarHBondContact O-N 3.28Å; L27-A30 PolarHBondContact O-N 3.35Å
28	S	52	Low	52.3	Low	73 Å²	73	100.9 Å²	100.9	51%	0.51	55%	0.548	S	S	.	.	H	α-helix	trans	-71.2	-18.3	179.6	75	0	0	0	0	113.8	A25	A25-S28 PolarHBondContact O-OG 3.15Å
29	M	51.5	Low	51.7	Low	136 Å²	136	104 Å²	104	67%	0.67	56%	0.557	S	S	*	*	H	α-helix	trans	-90	-20.1	175.7	-64.3	-168.3	70.1	0	0	113	L26 L27 R32	L26-M29 PolarHBondContact O-N 3.18Å; L27-M29 PolarHBondContact O-N 3.28Å; M29-R32 PolarHBondContact O-N 3.44Å
30	A	54.8	Low	51.1	Low	14 Å²	14	108.7 Å²	108.7	12%	0.116	58%	0.581	C	S	.	*	H	α-helix	trans	-66.8	-36.5	-179.6	0	0	0	0	0	112.5	F4 L26 L27 R32 C33 I36	F4-A30 HydrophobicContact CE2-CB 4.22Å; F4-A30 HydrophobicContact CZ-CB 3.94Å; L26-A30 PolarHBondContact O-N 3.44Å; L27-A30 PolarHBondContact O-N 3.35Å; A30-R32 PolarHBondContact O-N 3.41Å; A30-R32 VanDerWaalsContact O-N 3.17Å; A30-C33 WeakPolarHBondContact O-CB 3.48Å; A30-C33 PolarHBondContact O-N 2.78Å; A30-C33 VanDerWaalsContact O-N 3.1Å; A30-I36 HydrophobicContact CB-CD1 4.3Å
31	D	46.5	Very low	50.4	Low	151 Å²	151	107 Å²	107	81%	0.807	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-13.8	177.1	-70.6	-23	0	0	0	113.5
32	R	51.6	Low	49.6	Very low	217 Å²	217	103.5 Å²	103.5	82%	0.819	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	5.2	177.2	-54.5	-173.2	-162.9	-169	2.8	112.8	M29 A30 P34	M29-R32 PolarHBondContact O-N 3.44Å; A30-R32 PolarHBondContact O-N 3.41Å; A30-R32 VanDerWaalsContact O-N 3.17Å; R32-P34 WeakPolarHBondContact O-CD 3.41Å
33	C	54.9	Low	48.5	Very low	43 Å²	43	106.7 Å²	106.7	29%	0.291	60%	0.596	S	S	.	*			trans	-86.1	116	-179	-172.5	0	0	0	0	111.2	A30 M35 I36 A37	A30-C33 WeakPolarHBondContact O-CB 3.48Å; A30-C33 PolarHBondContact O-N 2.78Å; A30-C33 VanDerWaalsContact O-N 3.1Å; C33-M35 PolarHBondContact O-N 3.18Å; C33-M35 VanDerWaalsContact O-N 3.09Å; C33-I36 HydrophobicContact CB-CB 4.28Å; C33-I36 HydrophobicContact CB-CD1 3.94Å; C33-I36 HydrophobicContact CB-CG1 4.04Å; C33-I36 PolarHBondContact O-N 3.24Å; C33-I36 VanDerWaalsContact O-N 3.15Å; C33-A37 PolarHBondContact O-N 3.45Å
34	P	52	Low	47.5	Very low	106 Å²	106	109.9 Å²	109.9	69%	0.688	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-18.5	-177.3	-16.8	28.7	0	0	0	114	R32	R32-P34 WeakPolarHBondContact O-CD 3.41Å
35	M	46.5	Very low	46.3	Very low	153 Å²	153	111.1 Å²	111.1	75%	0.754	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-29.1	178.7	-69.2	-65.3	-69.5	0	0	113	C33	C33-M35 PolarHBondContact O-N 3.18Å; C33-M35 VanDerWaalsContact O-N 3.09Å
36	I	54.2	Low	45.1	Very low	63 Å²	63	116 Å²	116	32%	0.323	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-39.4	-177.1	-62.3	177.7	0	0	0	110.8	F4 A30 C33 R38 Q39	F4-I36 HydrophobicContact CE2-CD1 4.37Å; A30-I36 HydrophobicContact CB-CD1 4.3Å; C33-I36 HydrophobicContact CB-CB 4.28Å; C33-I36 HydrophobicContact CB-CD1 3.94Å; C33-I36 HydrophobicContact CB-CG1 4.04Å; C33-I36 PolarHBondContact O-N 3.24Å; C33-I36 VanDerWaalsContact O-N 3.15Å; I36-R38 PolarHBondContact O-N 3.44Å; I36-R38 VanDerWaalsContact O-N 3.15Å; I36-Q39 PolarHBondContact O-N 3.2Å
37	A	49.9	Very low	44.4	Very low	66 Å²	66	118.6 Å²	118.6	55%	0.545	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63	-21.7	179.8	0	0	0	0	0	113.9	C33	C33-A37 PolarHBondContact O-N 3.45Å
38	R	47.2	Very low	43.2	Very low	215 Å²	215	123.9 Å²	123.9	81%	0.811	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-13.9	-179.4	-109.6	179.1	173.2	179.3	-2	115	I36	I36-R38 PolarHBondContact O-N 3.44Å; I36-R38 VanDerWaalsContact O-N 3.15Å
39	Q	42.8	Very low	42.1	Very low	145 Å²	145	128.6 Å²	128.6	68%	0.678	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-7.4	-178.2	-84.2	-169.8	-28.6	0	0	114.7	I36	I36-Q39 PolarHBondContact O-N 3.2Å
40	I	41.6	Very low	40.9	Very low	137 Å²	137	131.7 Å²	131.7	70%	0.703	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-83.8	-14.9	177.4	-64.3	177.3	0	0	0	112.2
41	T	37.3	Very low	39.5	Very low	123 Å²	123	139 Å²	139	76%	0.755	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-90.9	3.6	-177.4	-35.5	0	0	0	0	114.6
42	V	35.3	Very low	38.4	Very low	120 Å²	120	137.3 Å²	137.3	73%	0.727	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-116.2	2.7	-175.2	-175.7	0	0	0	0	114
43	C	32.4	Very low	37.2	Very low	128 Å²	128	132.7 Å²	132.7	87%	0.865	72%	0.716	S	S	*	*			trans	-116.9	42.3	179.6	-94.7	0	0	0	0	114.3
44	A	32.3	Very low	35.8	Very low	98 Å²	98	137.6 Å²	137.6	81%	0.81	74%	0.738	S	S	*	*			trans	-127.6	72.4	168	0	0	0	0	0	111.1
45	S	27.4	Very low	34.6	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	74%	0.742	S	S	*	*			trans	-157	104.1	158	55.3	0	0	0	0	110.1
46	I	30.1	Very low	33.6	Very low	166 Å²	166	137.5 Å²	137.5	85%	0.851	74%	0.736	S	S	*	*			trans	-108.2	145.2	166.4	-68.4	179.3	0	0	0	107.7
47	P	38.7	Very low	32.3	Very low	117 Å²	117	140 Å²	140	76%	0.76	75%	0.754	S	S	*	*			trans	-97.4	160.2	-167.4	37.6	-31.9	0	0	0	113.6
48	K	27.7	Very low	31.2	Very low	217 Å²	217	145.5 Å²	145.5	94%	0.943	77%	0.768	S	S	*	*			trans	-150.7	140.7	154.4	-97.6	-172.6	-177.3	178.4	0	112.6
49	E	28.7	Very low	30.2	Very low	172 Å²	172	140 Å²	140	80%	0.804	76%	0.763	S	S	*	*			trans	-75.9	163.5	-177.8	-64.2	179.9	129.5	0	0	115.7
50	R	26.4	Very low	29.5	Very low	201 Å²	201	138 Å²	138	76%	0.758	77%	0.771	S	S	*	*			trans	105.1	119.8	132.2	-102.8	-179.9	179.3	-177.1	3	120.8
51	K	25.8	Very low	28.6	Very low	168 Å²	168	134.9 Å²	134.9	73%	0.73	77%	0.773	S	S	*	*			trans	66.7	139	148.4	-71.9	178.1	177.3	-173.4	0	115.2
52	T	24.4	Very low	28.1	Very low	115 Å²	115	136.6 Å²	136.6	71%	0.706	78%	0.776	S	S	*	*			cis	-176.1	144.9	30.1	-3.9	0	0	0	0	108.2
53	T	25	Very low	27.6	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	78%	0.781	S	S	*	*			trans	52.1	138.2	144.9	33.7	0	0	0	0	124.9
54	I	26.9	Very low	28.1	Very low	145 Å²	145	137.3 Å²	137.3	74%	0.744	77%	0.772	S	S	*	*			trans	100.2	115.7	139.9	-70	157.6	0	0	0	120.2
55	H	25.9	Very low	27.8	Very low	167 Å²	167	141.1 Å²	141.1	77%	0.773	78%	0.778	S	S	*	*			trans	48.4	122.9	140.9	-78.7	-76.1	0	0	0	125.3
56	S	25.1	Very low	27.7	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	77%	0.771	S	S	*	*				78.6	148.8	117.6	76.3	0	0	0	0	123.9
57	T	26.4	Very low	27.6	Very low	114 Å²	114	138.1 Å²	138.1	70%	0.699	77%	0.766	S	S	*	*			trans	80.4	114	156.1	45.1	0	0	0	0	118
58	Q	27.7	Very low	27	Very low	182 Å²	182	138.4 Å²	138.4	85%	0.85	76%	0.761	S	S	*	*				60	146	93.7	-73.8	-178.4	-6	0	0	113.7
59	S	26.8	Very low	26.9	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	76%	0.757	S	S	*	*			cis	-177.7	155.3	-14.8	51.3	0	0	0	0	107.1
60	A	26.6	Very low	27	Very low	104 Å²	104	134.6 Å²	134.6	86%	0.86	76%	0.757	S	S	*	*			trans	77.4	142.8	144.7	0	0	0	0	0	123.9
61	G	24.4	Very low	27	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	76%	0.761	S	S	*	*			trans	101.3	101.3	148.1	0	0	0	0	0	116.5
62	I	25.9	Very low	27	Very low	159 Å²	159	135.4 Å²	135.4	82%	0.815	76%	0.763	S	S	*	*				72	100.3	66.5	-57.9	179.6	0	0	0	115.3
63	L	24.6	Very low	27	Very low	160 Å²	160	139.7 Å²	139.7	84%	0.838	77%	0.772	S	S	*	*			trans	48.6	171.9	136.8	-71.9	168.5	0	0	0	121.7
64	P	43.3	Very low	27.1	Very low	104 Å²	104	137.7 Å²	137.7	68%	0.675	77%	0.767	S	S	*	*			cis	-133.3	177.3	-16.4	25.7	-2.7	0	0	0	113.9
65	L	25.1	Very low	27.2	Very low	177 Å²	177	139.8 Å²	139.8	93%	0.927	77%	0.774	S	S	*	*			trans	-170	147.6	137	-101.5	154.5	0	0	0	111.5
66	S	25.8	Very low	27.4	Very low	94 Å²	94	136.7 Å²	136.7	66%	0.657	77%	0.771	S	S	*	*			trans	-124.4	148.9	-152.9	55.1	0	0	0	0	113.6
67	V	28.3	Very low	27.8	Very low	123 Å²	123	137.6 Å²	137.6	75%	0.745	78%	0.784	S	S	*	*			trans	69.7	126.2	140.2	179.4	0	0	0	0	116
68	D	25.8	Very low	27.9	Very low	124 Å²	124	138 Å²	138	66%	0.663	79%	0.786	S	S	*	*				-166.4	143.5	56.5	-126.6	-30.1	0	0	0	108.5
69	S	26.3	Very low	28.1	Very low	122 Å²	122	138.3 Å²	138.3	85%	0.853	79%	0.788	S	S	*	*				-172.5	151.9	92	-73.8	0	0	0	0	113
70	K	29.4	Very low	28.3	Very low	187 Å²	187	140.8 Å²	140.8	81%	0.813	80%	0.798	S	S	*	*			trans	-74.9	149.6	-163.6	-73.3	163	174.8	168	0	118.2
71	R	27.3	Very low	28.5	Very low	220 Å²	220	140.3 Å²	140.3	83%	0.83	79%	0.794	S	S	*	*			trans	17.3	128	135.9	-66.6	176.1	173.9	178	-1.5	120.4
72	H	25.3	Very low	28.9	Very low	166 Å²	166	143.8 Å²	143.8	77%	0.769	80%	0.801	S	S	*	*				168.2	134.6	103.7	-96.9	-78.6	0	0	0	108.9
73	F	25.1	Very low	29.1	Very low	205 Å²	205	141.1 Å²	141.1	90%	0.899	80%	0.796	S	S	*	*			trans	175.3	117.3	130.7	-105.3	-80.1	0	0	0	110.2
74	A	27.3	Very low	29.3	Very low	77 Å²	77	142.1 Å²	142.1	64%	0.636	80%	0.799	S	S	*	*			trans	-100.7	158	159.5	0	0	0	0	0	107.9
75	Q	27.8	Very low	28.8	Very low	190 Å²	190	142.6 Å²	142.6	89%	0.888	81%	0.805	S	S	*	*			trans	76.7	136.3	170.5	-50.8	173.2	-18.5	0	0	113.8
76	S	30.9	Very low	29	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	81%	0.805	S	S	*	*			cis	-155.4	129.1	19.3	49.4	0	0	0	0	110.5	T78	S76-T78 PolarHBondContact O-N 2.98Å
77	A	32.6	Very low	29.2	Very low	109 Å²	109	143.7 Å²	143.7	90%	0.901	81%	0.813	S	S	*	*			trans	-77.6	88.6	165.4	0	0	0	0	0	109.5
78	T	29.8	Very low	29.3	Very low	122 Å²	122	143.5 Å²	143.5	75%	0.748	82%	0.816	S	S	*	*			trans	-155.5	19.9	169.8	-23.7	0	0	0	0	114.9	S76	S76-T78 PolarHBondContact O-N 2.98Å
79	Q	31.7	Very low	29.5	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	82%	0.82	S	S	*	*	S	Bend	trans	-135.3	31.6	-179.1	-84.9	-173.6	-22.4	0	0	115.7
80	V	31.8	Very low	29.6	Very low	150 Å²	150	146.8 Å²	146.8	91%	0.909	82%	0.821	S	S	*	*	S	Bend	trans	-125.8	14.3	171.2	-169.8	0	0	0	0	112.5
81	A	30.9	Very low	29.6	Very low	94 Å²	94	144.7 Å²	144.7	78%	0.777	82%	0.823	S	S	*	*	S	Bend	trans	-118.2	33.3	-177	0	0	0	0	0	113.9
82	V	31.2	Very low	29.7	Very low	145 Å²	145	139.8 Å²	139.8	88%	0.879	82%	0.823	S	S	*	*	S	Bend	trans	-151.6	83.1	162.4	-172.3	0	0	0	0	109.5
83	S	29.8	Very low	29.9	Very low	102 Å²	102	139.1 Å²	139.1	71%	0.713	83%	0.825	S	S	*	*	S	Bend	trans	173.4	124.9	159.9	166.6	0	0	0	0	106.9
84	M	29	Very low	30	Very low	182 Å²	182	138 Å²	138	90%	0.897	82%	0.822	S	S	*	*			trans	116	36.2	179	-54.8	-106.4	93.6	0	0	114.7
85	S	32.6	Very low	29.9	Very low	114 Å²	114	142.5 Å²	142.5	80%	0.797	83%	0.834	S	S	*	*			trans	-96.4	88.3	152.7	46.4	0	0	0	0	109.1
86	K	30.4	Very low	29.8	Very low	214 Å²	214	136.5 Å²	136.5	93%	0.93	82%	0.823	S	S	*	*			trans	-173.5	114.4	159.3	-104.8	162.3	-169.6	-173.7	0	110.3
87	G	29.3	Very low	29.5	Very low	79 Å²	79	140 Å²	140	81%	0.814	83%	0.83	S	S	*	*			trans	121.7	71.8	162	0	0	0	0	0	115.8
88	C	30.3	Very low	29.2	Very low	120 Å²	120	141.4 Å²	141.4	81%	0.811	83%	0.827	S	S	*	*			trans	-97.7	120.1	164.5	-174.1	0	0	0	0	109.2	F90	C88-F90 PolarHBondContact O-N 2.88Å
89	P	31.3	Very low	29	Very low	116 Å²	116	146.1 Å²	146.1	75%	0.753	83%	0.831	S	S	*	*			trans	-100.1	77.5	179.7	36.6	-27.4	0	0	0	110.1
90	F	27.2	Very low	28.6	Very low	199 Å²	199	141.8 Å²	141.8	87%	0.873	83%	0.828	S	S	*	*			trans	-152.6	65.2	162	-126	-83.9	0	0	0	110.7	C88	C88-F90 PolarHBondContact O-N 2.88Å
91	V	30.6	Very low	28.3	Very low	142 Å²	142	139.5 Å²	139.5	86%	0.861	82%	0.818	S	S	*	*			trans	-142.5	102	161.5	-175.2	0	0	0	0	108.4
92	S	28.7	Very low	28.4	Very low	117 Å²	117	141 Å²	141	82%	0.818	82%	0.82	S	S	*	*			trans	-161.4	124.7	145	63.5	0	0	0	0	110.6
93	N	29.3	Very low	28.1	Very low	153 Å²	153	142.6 Å²	142.6	82%	0.818	82%	0.818	S	S	*	*			trans	-52.7	144.8	-179.5	-77.5	-24.4	0	0	0	115.5
94	Q	26.8	Very low	28	Very low	181 Å²	181	144.3 Å²	144.3	85%	0.846	82%	0.824	S	S	*	*				172.7	142.6	103.7	-92.5	-176.9	-6.7	0	0	110.7
95	I	26.3	Very low	27.8	Very low	172 Å²	172	143.1 Å²	143.1	88%	0.882	82%	0.816	S	S	*	*			trans	136.9	118.1	147.4	-68	159.4	0	0	0	112.4
96	G	25.9	Very low	27.7	Very low	63 Å²	63	146.8 Å²	146.8	65%	0.649	82%	0.821	S	S	*	*			trans	99.4	84.7	135.2	0	0	0	0	0	117.9	V98	G96-V98 PolarHBondContact O-N 3.42Å
97	M	24.7	Very low	27.6	Very low	177 Å²	177	142.8 Å²	142.8	87%	0.872	81%	0.809	S	S	*	*			trans	-60.3	116.9	157	-88.7	171.1	56.8	0	0	109.9
98	V	25.6	Very low	27.5	Very low	138 Å²	138	145.4 Å²	145.4	84%	0.836	81%	0.809	S	S	*	*			trans	-109.5	113.7	157	179.5	0	0	0	0	106.6	G96 A100	G96-V98 PolarHBondContact O-N 3.42Å; V98-A100 PolarHBondContact O-N 3.4Å
99	R	24.9	Very low	27.6	Very low	221 Å²	221	145 Å²	145	83%	0.834	81%	0.805	S	S	*	*			trans	-66.8	120	171.5	-92.1	179.6	169.6	170.9	-3.9	108.6
100	A	24.4	Very low	27.4	Very low	98 Å²	98	146 Å²	146	81%	0.81	81%	0.81	S	S	*	*			trans	-91.5	112.6	159.4	0	0	0	0	0	107.8	V98	V98-A100 PolarHBondContact O-N 3.4Å
101	S	25.5	Very low	27.3	Very low	102 Å²	102	146 Å²	146	71%	0.713	81%	0.812	S	S	*	*			trans	-78.1	136.5	168.4	-54.8	0	0	0	0	109.4
102	P	31.8	Very low	27.2	Very low	126 Å²	126	144.4 Å²	144.4	82%	0.818	81%	0.807	S	S	*	*			trans	-97.9	104.7	155.6	30.2	-18.5	0	0	0	108.5
103	E	26.7	Very low	27.3	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	81%	0.808	S	S	*	*			trans	-102	102	158.5	-80.5	179.3	-178.4	0	0	107.4
104	V	27.4	Very low	27.5	Very low	139 Å²	139	144.8 Å²	144.8	84%	0.842	81%	0.807	S	S	*	*			trans	-135.5	93.7	149	-167.5	0	0	0	0	105.4
105	Q	25.1	Very low	27.5	Very low	157 Å²	157	139.1 Å²	139.1	73%	0.734	80%	0.798	S	S	*	*			trans	-77.4	124.4	163.4	-94.1	175.5	-51.3	0	0	108.2
106	E	30.4	Very low	27.9	Very low	191 Å²	191	139.9 Å²	139.9	89%	0.893	80%	0.799	S	S	*	*			trans	-132.1	107.8	140.6	-77.1	-169.4	164.5	0	0	107.1
107	D	27.3	Very low	28.3	Very low	129 Å²	129	146.7 Å²	146.7	69%	0.69	81%	0.811	S	S	*	*			trans	-86.8	129.5	171.3	-74.5	-49.6	0	0	0	109.5
108	V	28.4	Very low	28.6	Very low	134 Å²	134	148.7 Å²	148.7	81%	0.812	81%	0.809	S	S	*	*			trans	-146.5	125.6	137.1	-176.5	0	0	0	0	108.8
109	P	31.1	Very low	29.1	Very low	112 Å²	112	147.1 Å²	147.1	73%	0.727	80%	0.804	S	S	*	*			trans	-90.1	139.2	177.3	34	-29.5	0	0	0	111.4
110	T	26.4	Very low	29.6	Very low	138 Å²	138	143.6 Å²	143.6	85%	0.847	80%	0.801	S	S	*	*			trans	-139.2	102.2	154.4	37.5	0	0	0	0	109.9
111	E	25.9	Very low	29.9	Very low	197 Å²	197	144.8 Å²	144.8	92%	0.921	79%	0.793	S	S	*	*			trans	-70.5	125.9	157.7	-72.3	-167.9	154.9	0	0	108.9
112	S	29.3	Very low	30.4	Very low	109 Å²	109	147.9 Å²	147.9	76%	0.762	79%	0.794	S	S	*	*			trans	-158.5	110.4	141.3	50.4	0	0	0	0	109.8
113	N	29.5	Very low	30.4	Very low	156 Å²	156	149.2 Å²	149.2	83%	0.834	79%	0.789	S	S	*	*			trans	-78.1	135.9	162.9	-145	-9.2	0	0	0	106.8
114	P	34.3	Very low	30.6	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	78%	0.784	S	S	*	*				-140	135.3	117.8	31.3	-15.7	0	0	0	112.6
115	G	27.6	Very low	30.8	Very low	63 Å²	63	148.7 Å²	148.7	65%	0.649	78%	0.781	S	S	*	*			trans	-70.4	167.4	176	0	0	0	0	0	114.8
116	M	34.3	Very low	31.3	Very low	187 Å²	187	146 Å²	146	92%	0.921	77%	0.772	S	S	*	*			trans	67.7	83.2	140.4	-145	150.3	86.7	0	0	117
117	K	32.9	Very low	31.5	Very low	207 Å²	207	141.8 Å²	141.8	90%	0.9	76%	0.763	S	S	*	*			trans	177.7	91.1	136.9	-98	167.9	-171.6	-174.5	0	109.8
118	R	33	Very low	32	Very low	219 Å²	219	141.8 Å²	141.8	83%	0.826	77%	0.768	S	S	*	*			trans	-150.6	27.5	166.8	-130.4	177.1	-175.7	-171.4	-1.1	114.9
119	S	35.5	Very low	32.1	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	77%	0.766	S	S	*	*	S	Bend	trans	-84.2	-6.8	-177.6	-168	0	0	0	0	114.9
120	L	34.1	Very low	32.2	Very low	147 Å²	147	143.1 Å²	143.1	77%	0.77	77%	0.768	S	S	*	*	S	Bend	trans	-115.2	-11.6	-172.3	-76	163.1	0	0	0	114.7
121	L	32.6	Very low	32.6	Very low	122 Å²	122	143.7 Å²	143.7	64%	0.639	76%	0.758	S	S	*	*	S	Bend	trans	-92.1	-8.4	179.7	-83.9	157	0	0	0	113.5
122	K	35	Very low	33.2	Very low	168 Å²	168	140.7 Å²	140.7	73%	0.73	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-14.4	-175.5	-148.6	176.3	-175.5	-177.7	0	113.8
123	E	32.1	Very low	33.7	Very low	154 Å²	154	144 Å²	144	72%	0.72	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-12.6	-177	-70.1	-176.1	163	0	0	113.6
124	L	30.7	Very low	34.6	Very low	139 Å²	139	142.3 Å²	142.3	73%	0.728	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-23.5	-177.9	-84.8	150.6	0	0	0	114.2	D126	L124-D126 VanDerWaalsContact C-N 3.33Å
125	E	32.1	Very low	35.6	Very low	166 Å²	166	141.9 Å²	141.9	78%	0.776	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-79.1	-15.9	177.9	-80.8	178	158.9	0	0	113.5	S127	E125-S127 PolarHBondContact O-N 3.33Å; E125-S127 VanDerWaalsContact O-N 3.17Å
126	D	34.8	Very low	36.8	Very low	101 Å²	101	150.4 Å²	150.4	54%	0.54	76%	0.762	S	S	.	*	G	3₁₀ helix	trans	-78	1.3	-172.6	-115.2	33.2	0	0	0	114.4	L124 K131	L124-D126 VanDerWaalsContact C-N 3.33Å; D126-K131 IonicContact OD2-NZ 3.57Å; D126-K131 PolarHBondContact OD2-NZ 3.43Å
127	S	33.8	Very low	38	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-110.3	4.2	-171.1	-66.8	0	0	0	0	116.5	E125	E125-S127 PolarHBondContact O-N 3.33Å; E125-S127 VanDerWaalsContact O-N 3.17Å
128	V	39	Very low	39.6	Very low	129 Å²	129	142.9 Å²	142.9	78%	0.782	75%	0.749	S	S	*	*	S	Bend	trans	-129.6	5	-173.2	-170.1	0	0	0	0	115.4
129	M	30.9	Very low	42	Very low	158 Å²	158	137.4 Å²	137.4	78%	0.778	73%	0.733	S	S	*	*	S	Bend	trans	-124.4	139.3	174.6	-61.1	-136.4	81.8	0	0	112.3	K131	M129-K131 PolarHBondContact O-N 2.91Å
130	P	33	Very low	44.5	Very low	117 Å²	117	135.1 Å²	135.1	76%	0.76	71%	0.712	S	S	*	*			trans	-60.5	113.8	172.1	-10.8	23.6	0	0	0	108.4	V132	P130-V132 PolarHBondContact O-N 3.14Å
131	K	33.8	Very low	47.2	Very low	149 Å²	149	132 Å²	132	65%	0.648	70%	0.695	S	S	*	*			trans	-64.2	100.1	172.9	-75.3	-178	177.3	179.3	0	107.9	D126 M129 Q133	D126-K131 IonicContact OD2-NZ 3.57Å; D126-K131 PolarHBondContact OD2-NZ 3.43Å; M129-K131 PolarHBondContact O-N 2.91Å; K131-Q133 PolarHBondContact O-N 3.38Å
132	V	39	Very low	50	Low	135 Å²	135	131.5 Å²	131.5	82%	0.818	69%	0.688	S	S	*	*			trans	-53.9	111.2	162.5	177	0	0	0	0	105.8	P130 T134	P130-V132 PolarHBondContact O-N 3.14Å; V132-T134 PolarHBondContact O-N 3.39Å
133	Q	39.6	Very low	52.6	Low	178 Å²	178	128.1 Å²	128.1	83%	0.832	68%	0.678	S	S	*	*			trans	-56.8	110.7	177.9	-77.6	177.6	-5.2	0	0	107.7	K131 P135	K131-Q133 PolarHBondContact O-N 3.38Å; Q133-P135 WeakPolarHBondContact O-CD 3.45Å
134	T	48.8	Very low	55.5	Low	121 Å²	121	126 Å²	126	74%	0.742	67%	0.672	S	S	*	*			trans	-57.7	122.1	166.6	21.6	0	0	0	0	106.7	V132 R136	V132-T134 PolarHBondContact O-N 3.39Å; T134-R136 PolarHBondContact O-N 3.48Å
135	P	55.5	Low	58.5	Low	112 Å²	112	122.5 Å²	122.5	73%	0.727	65%	0.653	S	S	*	*			trans	-57.1	130.1	178.6	21.2	-30	0	0	0	108	Q133 V137	Q133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-V137 PolarHBondContact O-N 3.41Å
136	R	52.2	Low	61.2	Low	242 Å²	242	121.6 Å²	121.6	91%	0.913	66%	0.659	S	S	*	*			trans	-55.2	113.4	174.9	-91	-177.8	173.4	-179.2	-1.7	107.8	T134 S138	T134-R136 PolarHBondContact O-N 3.48Å; R136-S138 PolarHBondContact O-N 3.14Å
137	V	58.7	Low	63.8	Low	110 Å²	110	119.1 Å²	119.1	67%	0.667	66%	0.657	S	S	*	*			trans	-61.1	108	174.2	-177.2	0	0	0	0	107	P135 H139 L140	P135-V137 PolarHBondContact O-N 3.41Å; V137-H139 VanDerWaalsContact C-N 3.27Å; V137-H139 WeakPolarHBondContact CG1-O 3.28Å; V137-H139 PolarHBondContact O-N 3.46Å; V137-L140 HydrophobicContact CG1-CD2 3.82Å; V137-L140 HydrophobicContact CG1-CG 4.44Å
138	S	67.5	Low	66.5	Low	126 Å²	126	121.2 Å²	121.2	88%	0.881	67%	0.668	S	S	*	*			trans	-78.7	-12.7	-175.4	56.7	0	0	0	0	112.9	R136	R136-S138 PolarHBondContact O-N 3.14Å
139	H	83.6	Confident	69.1	Low	105 Å²	105	118 Å²	118	49%	0.486	65%	0.651	S	S	.	*			trans	-162.6	131.4	-177.2	-159.4	-65.9	0	0	0	110.9	V137 N144	V137-H139 VanDerWaalsContact C-N 3.27Å; V137-H139 WeakPolarHBondContact CG1-O 3.28Å; V137-H139 PolarHBondContact O-N 3.46Å; H139-N144 VanDerWaalsContact CE1-CG 3.48Å; H139-N144 PolarHBondContact CE1-ND2 2.93Å; H139-N144 PolarHBondContact CE1-OD1 2.87Å
140	L	87.6	Confident	72.2	Confident	56 Å²	56	115.9 Å²	115.9	29%	0.293	64%	0.638	S	S	.	*			trans	-95	150.5	171.5	-64.9	170.9	0	0	0	110.3	V137 K142 D143 D153	V137-L140 HydrophobicContact CG1-CD2 3.82Å; V137-L140 HydrophobicContact CG1-CG 4.44Å; L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 HydrophobicContact CB-CD 4.42Å; L140-K142 HydrophobicContact CB-CG 3.94Å; L140-K142 HydrophobicContact CD1-CD 4.23Å; L140-K142 PolarHBondContact O-N 3.07Å; L140-D143 WeakPolarHBondContact CB-OD2 3.4Å; L140-D143 PolarHBondContact N-OD2 2.98Å; L140-D143 WeakPolarHBondContact O-CB 3.47Å; L140-D143 PolarHBondContact O-N 2.58Å; L140-D153 HydrophobicContact CD2-CB 4.43Å
141	L	91.3	Very high	75.1	Confident	82 Å²	82	114 Å²	114	43%	0.429	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-64.9	-37.3	179.1	-66.9	176.7	0	0	0	111.3	D143 N144 D153 F156	L141-D143 PolarHBondContact O-N 3.07Å; L141-D143 VanDerWaalsContact O-N 3.13Å; L141-N144 PolarHBondContact O-N 3.19Å; L141-D153 WeakPolarHBondContact CB-OD1 3.42Å; L141-D153 PolarHBondContact N-OD1 3.35Å; L141-D153 PolarHBondContact N-OD2 2.87Å; L141-F156 HydrophobicContact CD1-CD2 4.17Å; L141-F156 HydrophobicContact CD1-CE2 3.82Å
142	K	90.2	Very high	78	Confident	111 Å²	111	112 Å²	112	48%	0.483	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-56.3	-27	175.9	75.4	-170.8	-172.3	-169.1	0	113.4	L140 N144 I145 D153	L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 HydrophobicContact CB-CD 4.42Å; L140-K142 HydrophobicContact CB-CG 3.94Å; L140-K142 HydrophobicContact CD1-CD 4.23Å; L140-K142 PolarHBondContact O-N 3.07Å; K142-N144 PolarHBondContact O-N 3.08Å; K142-I145 PolarHBondContact O-N 2.91Å; K142-I145 VanDerWaalsContact O-N 3.08Å; K142-D153 WeakPolarHBondContact CB-OD2 3.34Å; K142-D153 PolarHBondContact N-OD2 2.93Å
143	D	91.4	Very high	80.6	Confident	97 Å²	97	106.6 Å²	106.6	52%	0.519	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-66.4	-20.3	-179.6	-56.1	-23.7	0	0	0	111.6	L140 L141	L140-D143 WeakPolarHBondContact CB-OD2 3.4Å; L140-D143 PolarHBondContact N-OD2 2.98Å; L140-D143 WeakPolarHBondContact O-CB 3.47Å; L140-D143 PolarHBondContact O-N 2.58Å; L141-D143 PolarHBondContact O-N 3.07Å; L141-D143 VanDerWaalsContact O-N 3.13Å
144	N	92.6	Very high	83.2	Confident	111 Å²	111	98.8 Å²	98.8	59%	0.594	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-93.9	-6.6	175.9	-67.1	-47.8	0	0	0	114	H139 L141 K142	H139-N144 VanDerWaalsContact CE1-CG 3.48Å; H139-N144 PolarHBondContact CE1-ND2 2.93Å; H139-N144 PolarHBondContact CE1-OD1 2.87Å; L141-N144 PolarHBondContact O-N 3.19Å; K142-N144 PolarHBondContact O-N 3.08Å
145	I	92.4	Very high	85.4	Confident	64 Å²	64	97.3 Å²	97.3	33%	0.328	53%	0.528	S	S	.	.			trans	-104.8	121.6	-170.5	-56.1	172.1	0	0	0	109.9	K142 S149 Y152	K142-I145 PolarHBondContact O-N 2.91Å; K142-I145 VanDerWaalsContact O-N 3.08Å; I145-S149 VanDerWaalsContact CG2-CB 3.42Å; I145-Y152 HydrophobicContact CD1-CD2 3.62Å; I145-Y152 HydrophobicContact CD1-CE2 3.81Å
146	V	90.6	Very high	87.2	Confident	148 Å²	148	97 Å²	97	90%	0.897	52%	0.515	S	S	*	.			trans	-90.2	124.9	178.2	-176.5	0	0	0	0	110.1
147	G	88.3	Confident	89.2	Confident	49 Å²	49	90.7 Å²	90.7	51%	0.505	50%	0.499	S	S	.	.	S	Bend	trans	92.8	-179.5	176.8	0	0	0	0	0	114.2	S149	G147-S149 PolarHBondContact O-N 2.63Å
148	P	90.4	Very high	90.9	Very high	146 Å²	146	91.7 Å²	91.7	95%	0.948	49%	0.491	S	S	*	.	S	Bend	trans	-62.3	128.8	176.9	25.8	-31.7	0	0	0	109.6
149	S	94.3	Very high	92	Very high	60 Å²	60	88 Å²	88	42%	0.42	46%	0.464	S	S	.	.			trans	-141.2	163.3	-174.4	57.4	0	0	0	0	111.5	I145 G147	I145-S149 VanDerWaalsContact CG2-CB 3.42Å; G147-S149 PolarHBondContact O-N 2.63Å
150	F	94.9	Very high	92.4	Very high	114 Å²	114	86.4 Å²	86.4	50%	0.5	46%	0.458	S	S	.	.			trans	-62.8	139.4	169.8	-177.7	-95	0	0	0	109.8	Y152 F155	F150-Y152 VanDerWaalsContact C-N 3.26Å; F150-Y152 HydrophobicContact CB-CD2 4.4Å; F150-Y152 HydrophobicContact CB-CE2 3.96Å; F150-Y152 AromaticContact CD1-CD1 3.75Å; F150-Y152 HydrophobicContact CD1-CD1 3.75Å; F150-Y152 HydrophobicContact CD1-CD2 4.28Å; F150-Y152 AromaticContact CD1-CE1 3.87Å; F150-Y152 HydrophobicContact CD1-CE1 3.87Å; F150-Y152 HydrophobicContact CD1-CE2 4.38Å; F150-Y152 AromaticContact CD1-CG 3.96Å; F150-Y152 HydrophobicContact CD1-CG 3.96Å; F150-Y152 HydrophobicContact CE1-CD1 4.32Å; F150-Y152 WeakPolarHBondContact O-CD2 3.46Å; F150-Y152 PolarHBondContact O-N 3.44Å; F150-F155 HydrophobicContact CE1-CB 3.73Å; F150-F155 HydrophobicContact CE1-CD2 4.38Å; F150-F155 HydrophobicContact CE1-CG 4.04Å; F150-F155 HydrophobicContact CZ-CB 4.1Å; F150-F155 HydrophobicContact CZ-CD2 4.09Å; F150-F155 HydrophobicContact CZ-CG 4.22Å
151	D	94.1	Very high	92.6	Very high	79 Å²	79	86.3 Å²	86.3	42%	0.422	46%	0.462	S	S	.	.			trans	-76.5	78.3	177.9	177.9	25.5	0	0	0	110.6	G154 F155 R158	D151-G154 PolarHBondContact OD1-N 3.01Å; D151-G154 WeakPolarHBondContact OD2-CA 3.46Å; D151-F155 WeakPolarHBondContact O-CB 3.28Å; D151-F155 PolarHBondContact O-N 3.5Å; D151-R158 IonicContact OD2-NH1 2.75Å
152	Y	94.4	Very high	92.5	Very high	106 Å²	106	88.3 Å²	88.3	42%	0.416	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-45.8	179.4	-67.5	-79.5	0	0	0	111.8	I145 F150 F155 F156	I145-Y152 HydrophobicContact CD1-CD2 3.62Å; I145-Y152 HydrophobicContact CD1-CE2 3.81Å; F150-Y152 VanDerWaalsContact C-N 3.26Å; F150-Y152 HydrophobicContact CB-CD2 4.4Å; F150-Y152 HydrophobicContact CB-CE2 3.96Å; F150-Y152 AromaticContact CD1-CD1 3.75Å; F150-Y152 HydrophobicContact CD1-CD1 3.75Å; F150-Y152 HydrophobicContact CD1-CD2 4.28Å; F150-Y152 AromaticContact CD1-CE1 3.87Å; F150-Y152 HydrophobicContact CD1-CE1 3.87Å; F150-Y152 HydrophobicContact CD1-CE2 4.38Å; F150-Y152 AromaticContact CD1-CG 3.96Å; F150-Y152 HydrophobicContact CD1-CG 3.96Å; F150-Y152 HydrophobicContact CE1-CD1 4.32Å; F150-Y152 WeakPolarHBondContact O-CD2 3.46Å; F150-Y152 PolarHBondContact O-N 3.44Å; Y152-F155 WeakPolarHBondContact O-CB 3.46Å; Y152-F155 PolarHBondContact O-N 3.43Å; Y152-F156 WeakPolarHBondContact O-CD2 3.15Å; Y152-F156 PolarHBondContact O-N 3.12Å
153	D	93.7	Very high	92.2	Very high	22 Å²	22	87 Å²	87	12%	0.118	46%	0.463	C	S	.	.	H	α-helix	trans	-60.2	-51.6	-179.5	-62.7	-68.4	0	0	0	110.4	L140 L141 K142 F155 F156 D157	L140-D153 HydrophobicContact CD2-CB 4.43Å; L141-D153 WeakPolarHBondContact CB-OD1 3.42Å; L141-D153 PolarHBondContact N-OD1 3.35Å; L141-D153 PolarHBondContact N-OD2 2.87Å; K142-D153 WeakPolarHBondContact CB-OD2 3.34Å; K142-D153 PolarHBondContact N-OD2 2.93Å; D153-F155 VanDerWaalsContact C-N 3.3Å; D153-F155 PolarHBondContact O-N 3.07Å; D153-F156 PolarHBondContact O-N 3.18Å; D153-D157 PolarHBondContact O-N 3.06Å
154	G	94.3	Very high	92.1	Very high	14 Å²	14	87.3 Å²	87.3	14%	0.144	46%	0.46	C	S	.	.	H	α-helix	trans	-66.4	-28.8	178.2	0	0	0	0	0	113.7	D151 R158	D151-G154 PolarHBondContact OD1-N 3.01Å; D151-G154 WeakPolarHBondContact OD2-CA 3.46Å; G154-R158 WeakPolarHBondContact O-CB 3.45Å; G154-R158 VanDerWaalsContact O-CG 3.26Å; G154-R158 WeakPolarHBondContact O-CG 3.45Å; G154-R158 PolarHBondContact O-N 3.5Å; G154-R158 VanDerWaalsContact O-N 3.1Å; G154-R158 PolarHBondContact O-NE 3.11Å
155	F	95.1	Very high	91.8	Very high	90 Å²	90	88.1 Å²	88.1	40%	0.395	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-51.2	170.9	173.4	-94.5	0	0	0	111.6	F150 D151 Y152 D153 D157 R158 T159	F150-F155 HydrophobicContact CE1-CB 3.73Å; F150-F155 HydrophobicContact CE1-CD2 4.38Å; F150-F155 HydrophobicContact CE1-CG 4.04Å; F150-F155 HydrophobicContact CZ-CB 4.1Å; F150-F155 HydrophobicContact CZ-CD2 4.09Å; F150-F155 HydrophobicContact CZ-CG 4.22Å; D151-F155 WeakPolarHBondContact O-CB 3.28Å; D151-F155 PolarHBondContact O-N 3.5Å; Y152-F155 WeakPolarHBondContact O-CB 3.46Å; Y152-F155 PolarHBondContact O-N 3.43Å; D153-F155 VanDerWaalsContact C-N 3.3Å; D153-F155 PolarHBondContact O-N 3.07Å; F155-D157 PolarHBondContact O-N 3.03Å; F155-R158 PolarHBondContact O-N 3.09Å; F155-T159 PolarHBondContact O-N 3.39Å; F155-T159 PolarHBondContact O-OG1 3.35Å; F155-T159 VanDerWaalsContact O-OG1 3.14Å
156	F	94.1	Very high	91.2	Very high	105 Å²	105	87.7 Å²	87.7	46%	0.461	46%	0.463	S	S	.	.	H	α-helix	trans	-64.9	-39.4	-179.7	-65.9	-53.8	0	0	0	112.4	L141 Y152 D153 R158 T159 I160	L141-F156 HydrophobicContact CD1-CD2 4.17Å; L141-F156 HydrophobicContact CD1-CE2 3.82Å; Y152-F156 WeakPolarHBondContact O-CD2 3.15Å; Y152-F156 PolarHBondContact O-N 3.12Å; D153-F156 PolarHBondContact O-N 3.18Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.91Å; F156-T159 PolarHBondContact O-N 3.47Å; F156-I160 WeakPolarHBondContact O-CG1 3.27Å; F156-I160 PolarHBondContact O-N 3.31Å
157	D	93.3	Very high	90.8	Very high	109 Å²	109	85 Å²	85	58%	0.583	44%	0.44	S	S	*	.	H	α-helix	trans	-60.5	-42.9	175.6	-77.7	-17.3	0	0	0	111.8	D153 F155 S161	D153-D157 PolarHBondContact O-N 3.06Å; F155-D157 PolarHBondContact O-N 3.03Å; D157-S161 WeakPolarHBondContact O-CB 3.48Å; D157-S161 PolarHBondContact O-N 2.93Å; D157-S161 PolarHBondContact O-OG 3.46Å
158	R	95	Very high	90.4	Very high	131 Å²	131	83 Å²	83	49%	0.494	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-49.2	175.3	-75.5	-174.6	-61.6	-101.5	0.2	111.6	D151 G154 F155 F156 I160 S161 E162	D151-R158 IonicContact OD2-NH1 2.75Å; G154-R158 WeakPolarHBondContact O-CB 3.45Å; G154-R158 VanDerWaalsContact O-CG 3.26Å; G154-R158 WeakPolarHBondContact O-CG 3.45Å; G154-R158 PolarHBondContact O-N 3.5Å; G154-R158 VanDerWaalsContact O-N 3.1Å; G154-R158 PolarHBondContact O-NE 3.11Å; F155-R158 PolarHBondContact O-N 3.09Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.91Å; R158-I160 VanDerWaalsContact C-N 3.32Å; R158-I160 PolarHBondContact O-N 3.19Å; R158-S161 WeakPolarHBondContact O-CB 3.38Å; R158-S161 PolarHBondContact O-N 2.88Å; R158-S161 VanDerWaalsContact O-N 3.09Å; R158-E162 WeakPolarHBondContact O-CG 3.41Å; R158-E162 PolarHBondContact O-N 3.03Å
159	T	90.9	Very high	90.2	Very high	50 Å²	50	81 Å²	81	31%	0.307	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-37.8	179.7	-56.7	0	0	0	0	112.9	F155 F156 K163	F155-T159 PolarHBondContact O-N 3.39Å; F155-T159 PolarHBondContact O-OG1 3.35Å; F155-T159 VanDerWaalsContact O-OG1 3.14Å; F156-T159 PolarHBondContact O-N 3.47Å; T159-K163 PolarHBondContact O-N 3.37Å
160	I	91.3	Very high	89.9	Confident	70 Å²	70	84.1 Å²	84.1	36%	0.359	40%	0.395	S	S	.	.	H	α-helix	trans	-70.8	-38.7	174.8	-68.3	-62.4	0	0	0	111.3	F156 R158 E162 K163 K164 Y169	F156-I160 WeakPolarHBondContact O-CG1 3.27Å; F156-I160 PolarHBondContact O-N 3.31Å; R158-I160 VanDerWaalsContact C-N 3.32Å; R158-I160 PolarHBondContact O-N 3.19Å; I160-E162 VanDerWaalsContact C-N 3.29Å; I160-E162 PolarHBondContact O-N 3.39Å; I160-K163 PolarHBondContact O-N 3.3Å; I160-K164 HydrophobicContact CG2-CD 4.29Å; I160-K164 WeakPolarHBondContact O-CG 3.34Å; I160-K164 PolarHBondContact O-N 2.88Å; I160-Y169 HydrophobicContact CD1-CE2 4.39Å; I160-Y169 HydrophobicContact CG2-CD2 4.27Å; I160-Y169 HydrophobicContact CG2-CE2 3.96Å
161	S	92.4	Very high	89.7	Confident	55 Å²	55	84.9 Å²	84.9	39%	0.385	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-38.1	176.7	-60	0	0	0	0	111.7	D157 R158 K163 K164 N165	D157-S161 WeakPolarHBondContact O-CB 3.48Å; D157-S161 PolarHBondContact O-N 2.93Å; D157-S161 PolarHBondContact O-OG 3.46Å; R158-S161 WeakPolarHBondContact O-CB 3.38Å; R158-S161 PolarHBondContact O-N 2.88Å; R158-S161 VanDerWaalsContact O-N 3.09Å; S161-K163 PolarHBondContact O-N 3.28Å; S161-K164 PolarHBondContact O-N 2.96Å; S161-N165 WeakPolarHBondContact O-CB 3.46Å; S161-N165 PolarHBondContact O-N 3.28Å; S161-N165 PolarHBondContact O-ND2 3.07Å
162	E	88.6	Confident	89.7	Confident	123 Å²	123	89 Å²	89	58%	0.575	42%	0.418	S	S	*	.	H	α-helix	trans	-56.9	-47.2	173	-71.6	165	-172.4	0	0	111.7	R158 I160 K164 N165 D166	R158-E162 WeakPolarHBondContact O-CG 3.41Å; R158-E162 PolarHBondContact O-N 3.03Å; I160-E162 VanDerWaalsContact C-N 3.29Å; I160-E162 PolarHBondContact O-N 3.39Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.45Å; E162-N165 PolarHBondContact O-N 3.38Å; E162-D166 WeakPolarHBondContact O-CB 3.37Å; E162-D166 PolarHBondContact O-N 3.12Å
163	K	84.1	Confident	89.7	Confident	83 Å²	83	85.8 Å²	85.8	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-64.4	-35.4	176.5	-76	-169	164.2	-66	0	113.8	T159 I160 S161 H167 T168 Y169	T159-K163 PolarHBondContact O-N 3.37Å; I160-K163 PolarHBondContact O-N 3.3Å; S161-K163 PolarHBondContact O-N 3.28Å; K163-H167 PolarHBondContact O-N 3.47Å; K163-T168 PolarHBondContact O-N 3.16Å; K163-T168 VanDerWaalsContact O-N 3.09Å; K163-Y169 HydrophobicContact CB-CD2 4.42Å; K163-Y169 PolarHBondContact O-N 2.87Å
164	K	88.5	Confident	89.8	Confident	105 Å²	105	88.3 Å²	88.3	46%	0.457	42%	0.422	S	S	.	.	H	α-helix	trans	-68.3	-46.4	177.9	-73.3	178.8	177.5	-179.4	0	111	I160 S161 E162 D166 H167 Y169	I160-K164 HydrophobicContact CG2-CD 4.29Å; I160-K164 WeakPolarHBondContact O-CG 3.34Å; I160-K164 PolarHBondContact O-N 2.88Å; S161-K164 PolarHBondContact O-N 2.96Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 3.45Å; K164-D166 PolarHBondContact O-N 2.85Å; K164-H167 PolarHBondContact O-N 2.93Å; K164-H167 VanDerWaalsContact O-N 3.14Å; K164-Y169 HydrophobicContact CG-CD1 4.2Å; K164-Y169 HydrophobicContact CG-CD2 4.13Å; K164-Y169 HydrophobicContact CG-CG 3.8Å
165	N	86.4	Confident	89.8	Confident	128 Å²	128	89.6 Å²	89.6	68%	0.684	43%	0.427	S	S	*	.	H	α-helix	trans	-64.1	-28	177.8	-66.4	-15	0	0	0	112.4	S161 E162 H167	S161-N165 WeakPolarHBondContact O-CB 3.46Å; S161-N165 PolarHBondContact O-N 3.28Å; S161-N165 PolarHBondContact O-ND2 3.07Å; E162-N165 PolarHBondContact O-N 3.38Å; N165-H167 VanDerWaalsContact C-N 3.35Å; N165-H167 PolarHBondContact O-CD2 3.48Å
166	D	79.7	Confident	89.9	Confident	54 Å²	54	89.5 Å²	89.5	29%	0.289	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.6	179.2	-175.2	47.4	0	0	0	113.6	E162 K164 T168 R518	E162-D166 WeakPolarHBondContact O-CB 3.37Å; E162-D166 PolarHBondContact O-N 3.12Å; K164-D166 PolarHBondContact O-N 2.85Å; D166-T168 PolarHBondContact O-N 3.47Å; D166-T168 WeakPolarHBondContact OD2-CG2 3.4Å; D166-T168 PolarHBondContact OD2-OG1 3.3Å; D166-R518 VanDerWaalsContact CG-NH2 3.3Å; D166-R518 IonicContact OD1-CZ 2.66Å; D166-R518 VanDerWaalsContact OD1-CZ 3.29Å; D166-R518 IonicContact OD1-NH1 2.79Å; D166-R518 PolarHBondContact OD1-NH1 2.81Å; D166-R518 IonicContact OD1-NH2 3.61Å; D166-R518 PolarHBondContact OD1-NH2 3.29Å; D166-R518 IonicContact OD2-CZ 2.74Å; D166-R518 VanDerWaalsContact OD2-CZ 3.29Å; D166-R518 IonicContact OD2-NH1 3.67Å; D166-R518 PolarHBondContact OD2-NH1 3.34Å; D166-R518 IonicContact OD2-NH2 2.73Å; D166-R518 PolarHBondContact OD2-NH2 3.38Å
167	H	82.9	Confident	90.1	Very high	92 Å²	92	89.3 Å²	89.3	43%	0.426	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	23.6	-176.7	-56.4	-92	0	0	0	114.2	K163 K164 N165 A490	K163-H167 PolarHBondContact O-N 3.47Å; K164-H167 PolarHBondContact O-N 2.93Å; K164-H167 VanDerWaalsContact O-N 3.14Å; N165-H167 VanDerWaalsContact C-N 3.35Å; N165-H167 PolarHBondContact O-CD2 3.48Å; H167-A490 HydrophobicContact CB-CB 4.29Å
168	T	79.8	Confident	90.2	Very high	6 Å²	6	87.8 Å²	87.8	4%	0.037	41%	0.413	C	S	.	.			trans	-106.7	0.9	176.1	60.8	0	0	0	0	112.8	K163 D166 Y513	K163-T168 PolarHBondContact O-N 3.16Å; K163-T168 VanDerWaalsContact O-N 3.09Å; D166-T168 PolarHBondContact O-N 3.47Å; D166-T168 WeakPolarHBondContact OD2-CG2 3.4Å; D166-T168 PolarHBondContact OD2-OG1 3.3Å; T168-Y513 HydrophobicContact CG2-CD1 4.11Å
169	Y	87.5	Confident	90.3	Very high	106 Å²	106	84.1 Å²	84.1	42%	0.416	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.1	129.7	168.4	-174	-101.1	0	0	0	110.3	I160 K163 K164 I171	I160-Y169 HydrophobicContact CD1-CE2 4.39Å; I160-Y169 HydrophobicContact CG2-CD2 4.27Å; I160-Y169 HydrophobicContact CG2-CE2 3.96Å; K163-Y169 HydrophobicContact CB-CD2 4.42Å; K163-Y169 PolarHBondContact O-N 2.87Å; K164-Y169 HydrophobicContact CG-CD1 4.2Å; K164-Y169 HydrophobicContact CG-CD2 4.13Å; K164-Y169 HydrophobicContact CG-CG 3.8Å; Y169-I171 HydrophobicContact CD1-CG1 4.11Å; Y169-I171 HydrophobicContact CE1-CG1 3.96Å
170	R	88	Confident	90.6	Very high	124 Å²	124	87.1 Å²	87.1	47%	0.468	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-102.6	123	-173.2	-63.7	178.2	-179.1	-172.1	-8.1	110.2	F172 T515	R170-F172 HydrophobicContact CB-CD1 4.44Å; R170-F172 HydrophobicContact CB-CE1 4.04Å; R170-T515 PolarHBondContact NH2-OG1 3.1Å
171	I	89.9	Confident	90.8	Very high	131 Å²	131	86.2 Å²	86.2	67%	0.672	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-103.5	116.5	165.9	-58.5	174.7	0	0	0	106.5	Y169	Y169-I171 HydrophobicContact CD1-CG1 4.11Å; Y169-I171 HydrophobicContact CE1-CG1 3.96Å
172	F	93.8	Very high	91	Very high	166 Å²	166	85.3 Å²	85.3	73%	0.728	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-74.2	133.9	-177	-60.2	-36	0	0	0	111.3	R170	R170-F172 HydrophobicContact CB-CD1 4.44Å; R170-F172 HydrophobicContact CB-CE1 4.04Å
173	K	94	Very high	91.4	Very high	38 Å²	38	79.7 Å²	79.7	17%	0.165	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-74.6	125.3	168.9	-55.7	-54.4	-174.5	178.2	0	108.7	V175 S189 D498 L501 Y507	K173-V175 PolarHBondContact O-N 3Å; K173-S189 VanDerWaalsContact CA-OG 3.22Å; K173-S189 WeakPolarHBondContact CA-OG 3.3Å; K173-S189 WeakPolarHBondContact CB-OG 3.39Å; K173-D498 WeakPolarHBondContact CE-OD1 3.28Å; K173-D498 IonicContact NZ-OD1 3.4Å; K173-D498 PolarHBondContact NZ-OD1 3.35Å; K173-L501 HydrophobicContact CB-CD2 4.46Å; K173-L501 HydrophobicContact CD-CD2 3.68Å; K173-L501 HydrophobicContact CG-CD2 4.07Å; K173-Y507 HydrophobicContact CB-CE2 4.03Å; K173-Y507 HydrophobicContact CG-CE2 3.86Å
174	T	95.5	Very high	92.1	Very high	75 Å²	75	78.5 Å²	78.5	46%	0.46	38%	0.381	S	S	.	.			trans	-94.1	102.2	-174.4	-57.5	0	0	0	0	108.7	Y188 S189	T174-Y188 PolarHBondContact O-N 3.16Å; T174-S189 PolarHBondContact N-OG 3.19Å
175	V	95.5	Very high	92.6	Very high	40 Å²	40	73.5 Å²	73.5	24%	0.242	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.8	-174.1	-64.4	0	0	0	0	112.4	K173 A185 E186 D187 Y507	K173-V175 PolarHBondContact O-N 3Å; V175-A185 HydrophobicContact CB-CB 4.36Å; V175-E186 CarbonylContact C-O 3.4Å; V175-E186 VanDerWaalsContact CA-O 3.27Å; V175-E186 WeakPolarHBondContact CA-O 3.27Å; V175-D187 HydrophobicContact CG1-CB 4.43Å; V175-Y507 HydrophobicContact CG1-CD1 4.18Å; V175-Y507 HydrophobicContact CG1-CE1 4.34Å; V175-Y507 HydrophobicContact CG2-CD1 4.36Å; V175-Y507 HydrophobicContact CG2-CE1 4Å
176	N	96.8	Very high	93	Very high	88 Å²	88	70.5 Å²	70.5	47%	0.471	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	103	170.9	-69.1	-17.3	0	0	0	109.1	R178 A185 E186 Y188	N176-R178 PolarHBondContact O-N 3.35Å; N176-A185 CarbonylContact O-C 3.55Å; N176-A185 VanDerWaalsContact O-CA 3.25Å; N176-A185 WeakPolarHBondContact O-CA 3.46Å; N176-A185 WeakPolarHBondContact O-CB 3.34Å; N176-E186 HydrophobicContact CB-CB 4.37Å; N176-E186 PolarHBondContact N-O 2.7Å; N176-E186 PolarHBondContact O-N 2.85Å; N176-Y188 HydrophobicContact CB-CE2 4.31Å; N176-Y188 WeakPolarHBondContact ND2-CE2 3.34Å
177	R	97.5	Very high	93.8	Very high	102 Å²	102	68.1 Å²	68.1	39%	0.385	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.7	176.5	-68.3	175	56	-137.8	-10.2	110.6	A185 D205	R177-A185 HydrophobicContact CG-CB 4.31Å; R177-D205 IonicContact CZ-OD2 4Å; R177-D205 IonicContact NH1-OD2 3.7Å; R177-D205 PolarHBondContact NH1-OD2 3.03Å; R177-D205 IonicContact NH2-OD2 2.84Å; R177-D205 PolarHBondContact NH2-OD2 3.28Å
178	R	97.1	Very high	94.3	Very high	77 Å²	77	68.3 Å²	68.3	29%	0.291	33%	0.325	S	S	.	.			trans	-94.7	121.9	-178.2	-76.7	-170.5	62.6	177.4	2.8	111.1	N176 D180 V181 F182 F184 E186	N176-R178 PolarHBondContact O-N 3.35Å; R178-D180 WeakPolarHBondContact CB-OD1 3.48Å; R178-D180 IonicContact CZ-OD1 2.83Å; R178-D180 IonicContact CZ-OD2 3.75Å; R178-D180 IonicContact NE-OD1 3.26Å; R178-D180 PolarHBondContact NE-OD1 2.93Å; R178-D180 VanDerWaalsContact NE-OD1 3.14Å; R178-D180 IonicContact NE-OD2 3.83Å; R178-D180 IonicContact NH2-OD1 3.43Å; R178-D180 IonicContact NH2-OD2 2.75Å; R178-D180 PolarHBondContact NH2-OD2 3.17Å; R178-V181 HydrophobicContact CB-CG2 3.58Å; R178-V181 HydrophobicContact CG-CG2 4.33Å; R178-F182 PolarHBondContact O-N 2.74Å; R178-F184 PolarHBondContact N-O 3.47Å; R178-E186 HydrophobicContact CG-CG 4.31Å
179	A	96.6	Very high	94.7	Very high	53 Å²	53	69.6 Å²	69.6	44%	0.438	34%	0.335	S	S	.	.	S	Bend	trans	-73.3	-29.2	-177.8	0	0	0	0	0	113.1	S211	A179-S211 WeakPolarHBondContact CA-OG 3.4Å; A179-S211 WeakPolarHBondContact O-CB 3.45Å
180	D	96.2	Very high	94.4	Very high	113 Å²	113	68.1 Å²	68.1	60%	0.604	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-20.3	-179.3	60.1	-36.4	0	0	0	113.5	R178	R178-D180 WeakPolarHBondContact CB-OD1 3.48Å; R178-D180 IonicContact CZ-OD1 2.83Å; R178-D180 IonicContact CZ-OD2 3.75Å; R178-D180 IonicContact NE-OD1 3.26Å; R178-D180 PolarHBondContact NE-OD1 2.93Å; R178-D180 VanDerWaalsContact NE-OD1 3.14Å; R178-D180 IonicContact NE-OD2 3.83Å; R178-D180 IonicContact NH2-OD1 3.43Å; R178-D180 IonicContact NH2-OD2 2.75Å; R178-D180 PolarHBondContact NH2-OD2 3.17Å
181	V	96.1	Very high	93.8	Very high	52 Å²	52	67.4 Å²	67.4	32%	0.315	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	52.2	-177.2	-68.3	0	0	0	0	111.8	R178 F184	R178-V181 HydrophobicContact CB-CG2 3.58Å; R178-V181 HydrophobicContact CG-CG2 4.33Å; V181-F184 HydrophobicContact CG2-CB 4.27Å; V181-F184 VanDerWaalsContact O-CB 3.3Å; V181-F184 WeakPolarHBondContact O-CB 3.29Å; V181-F184 WeakPolarHBondContact O-CD2 3.23Å; V181-F184 PolarHBondContact O-N 3.38Å
182	F	96.9	Very high	93.1	Very high	36 Å²	36	65.6 Å²	65.6	16%	0.158	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	135.6	172.1	-177.8	-95.3	0	0	0	110.5	R178 D205 S528 H530	R178-F182 PolarHBondContact O-N 2.74Å; F182-D205 WeakPolarHBondContact CZ-O 3.4Å; F182-S528 WeakPolarHBondContact CE1-OG 3.36Å; F182-H530 HydrophobicContact CD1-CB 3.6Å; F182-H530 AromaticContact CD1-CD2 3.57Å; F182-H530 AromaticContact CD1-CG 3.68Å; F182-H530 HydrophobicContact CE1-CB 3.8Å; F182-H530 AromaticContact CE1-CD2 3.48Å; F182-H530 VanDerWaalsContact CE1-CD2 3.48Å; F182-H530 WeakPolarHBondContact CE1-CD2 3.49Å; F182-H530 AromaticContact CE1-CG 3.91Å
183	P	97.6	Very high	92.3	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.032	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	cis	-100.4	32.6	12	39.8	-35.7	0	0	0	115.2	V200 H531 M535	P183-V200 WeakPolarHBondContact O-CB 3.31Å; P183-V200 PolarHBondContact O-N 3.4Å; P183-H531 VanDerWaalsContact CB-CE1 3.48Å; P183-H531 WeakPolarHBondContact CB-CE1 3.44Å; P183-H531 WeakPolarHBondContact CG-NE2 3.29Å; P183-M535 HydrophobicContact CG-CE 3.64Å
184	F	98.3	Very high	91.6	Very high	58 Å²	58	70.1 Å²	70.1	25%	0.254	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	159.1	178.4	-62.8	-87.5	0	0	0	113.3	R178 V181 Q197 V198 M535	R178-F184 PolarHBondContact N-O 3.47Å; V181-F184 HydrophobicContact CG2-CB 4.27Å; V181-F184 VanDerWaalsContact O-CB 3.3Å; V181-F184 WeakPolarHBondContact O-CB 3.29Å; V181-F184 WeakPolarHBondContact O-CD2 3.23Å; V181-F184 PolarHBondContact O-N 3.38Å; F184-Q197 HydrophobicContact CB-CG 4.03Å; F184-Q197 HydrophobicContact CD1-CG 3.98Å; F184-Q197 HydrophobicContact CG-CG 4.3Å; F184-V198 CarbonylContact C-O 3.35Å; F184-V198 VanDerWaalsContact CA-O 3.24Å; F184-V198 WeakPolarHBondContact CA-O 3.3Å; F184-M535 HydrophobicContact CE1-CE 4.41Å; F184-M535 HydrophobicContact CE2-CE 4.03Å; F184-M535 HydrophobicContact CE2-SD 4.36Å; F184-M535 HydrophobicContact CZ-CE 3.76Å; F184-M535 HydrophobicContact CZ-SD 4.22Å
185	A	97.6	Very high	91	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	163.8	176.9	0	0	0	0	0	111.1	V175 N176 R177 Q197 V198 V200	V175-A185 HydrophobicContact CB-CB 4.36Å; N176-A185 CarbonylContact O-C 3.55Å; N176-A185 VanDerWaalsContact O-CA 3.25Å; N176-A185 WeakPolarHBondContact O-CA 3.46Å; N176-A185 WeakPolarHBondContact O-CB 3.34Å; R177-A185 HydrophobicContact CG-CB 4.31Å; A185-Q197 CarbonylContact O-C 3.33Å; A185-Q197 WeakPolarHBondContact O-CA 3.4Å; A185-V198 HydrophobicContact CB-CG2 4.1Å; A185-V198 PolarHBondContact N-O 3.49Å; A185-V198 PolarHBondContact O-N 3.36Å; A185-V200 HydrophobicContact CB-CG2 3.55Å
186	E	96.6	Very high	90.6	Very high	64 Å²	64	67.1 Å²	67.1	30%	0.299	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.9	165.4	-61.7	172.8	172	0	0	109.3	V175 N176 R178 Y188 S196	V175-E186 CarbonylContact C-O 3.4Å; V175-E186 VanDerWaalsContact CA-O 3.27Å; V175-E186 WeakPolarHBondContact CA-O 3.27Å; N176-E186 HydrophobicContact CB-CB 4.37Å; N176-E186 PolarHBondContact N-O 2.7Å; N176-E186 PolarHBondContact O-N 2.85Å; R178-E186 HydrophobicContact CG-CG 4.31Å; E186-Y188 HydrophobicContact CB-CD2 4.44Å; E186-Y188 HydrophobicContact CB-CE2 3.6Å; E186-Y188 PolarHBondContact OE2-OH 2.68Å; E186-S196 CarbonylContact C-O 3.6Å; E186-S196 WeakPolarHBondContact CA-O 3.27Å
187	D	95.2	Very high	90.5	Very high	5 Å²	5	67.7 Å²	67.7	3%	0.027	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.3	176.1	174.3	55.6	0	0	0	112.1	V175 S189 G195 S196 V198	V175-D187 HydrophobicContact CG1-CB 4.43Å; D187-S189 WeakPolarHBondContact OD1-CB 3.26Å; D187-S189 PolarHBondContact OD1-N 3.33Å; D187-S189 PolarHBondContact OD1-OG 3.2Å; D187-G195 WeakPolarHBondContact O-CA 3.36Å; D187-S196 PolarHBondContact N-O 2.92Å; D187-S196 PolarHBondContact O-N 3.04Å; D187-S196 VanDerWaalsContact O-N 3.13Å; D187-V198 HydrophobicContact CB-CG1 3.67Å; D187-V198 HydrophobicContact CB-CG2 4.06Å
188	Y	94.1	Very high	90.5	Very high	95 Å²	95	62.9 Å²	62.9	37%	0.373	36%	0.357	S	S	.	.			trans	-121.9	17.2	176.6	-59.8	-91.1	0	0	0	111.8	T174 N176 E186 M190	T174-Y188 PolarHBondContact O-N 3.16Å; N176-Y188 HydrophobicContact CB-CE2 4.31Å; N176-Y188 WeakPolarHBondContact ND2-CE2 3.34Å; E186-Y188 HydrophobicContact CB-CD2 4.44Å; E186-Y188 HydrophobicContact CB-CE2 3.6Å; E186-Y188 PolarHBondContact OE2-OH 2.68Å; Y188-M190 PolarHBondContact O-N 2.92Å
189	S	87.9	Confident	90.6	Very high	34 Å²	34	59.7 Å²	59.7	24%	0.238	35%	0.347	C	S	.	.			trans	-67.4	-24.2	-175.3	-57.6	0	0	0	0	113.2	K173 T174 D187	K173-S189 VanDerWaalsContact CA-OG 3.22Å; K173-S189 WeakPolarHBondContact CA-OG 3.3Å; K173-S189 WeakPolarHBondContact CB-OG 3.39Å; T174-S189 PolarHBondContact N-OG 3.19Å; D187-S189 WeakPolarHBondContact OD1-CB 3.26Å; D187-S189 PolarHBondContact OD1-N 3.33Å; D187-S189 PolarHBondContact OD1-OG 3.2Å
190	M	80.8	Confident	90.7	Very high	74 Å²	74	57.6 Å²	57.6	37%	0.365	33%	0.328	S	S	.	.	S	Bend	trans	-93.8	114.5	178.6	-64.6	-62	-82.2	0	0	110.9	Y188 G192 R193 E502	Y188-M190 PolarHBondContact O-N 2.92Å; M190-G192 PolarHBondContact O-N 3.41Å; M190-R193 HydrophobicContact CB-CB 4.05Å; M190-R193 PolarHBondContact O-N 3.38Å; M190-E502 HydrophobicContact CE-CG 4.41Å; M190-E502 HydrophobicContact CG-CG 4.44Å; M190-E502 HydrophobicContact SD-CG 4.07Å
191	A	76.8	Confident	90.8	Very high	110 Å²	110	52.3 Å²	52.3	91%	0.909	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	131.4	178.5	0	0	0	0	0	111.4	R193	A191-R193 VanDerWaalsContact C-N 3.3Å; A191-R193 PolarHBondContact O-N 2.85Å
192	G	74.9	Confident	90.9	Very high	93 Å²	93	50.9 Å²	50.9	96%	0.959	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	2.8	178.9	0	0	0	0	0	115.3	M190	M190-G192 PolarHBondContact O-N 3.41Å
193	R	76.1	Confident	91	Very high	122 Å²	122	50.2 Å²	50.2	46%	0.46	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-97.6	139.6	170.9	-159.4	-179.3	-180	-173.7	-0.8	109.9	M190 A191	M190-R193 HydrophobicContact CB-CB 4.05Å; M190-R193 PolarHBondContact O-N 3.38Å; A191-R193 VanDerWaalsContact C-N 3.3Å; A191-R193 PolarHBondContact O-N 2.85Å
194	E	80.5	Confident	91	Very high	176 Å²	176	52.4 Å²	52.4	82%	0.822	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-65.7	155.6	166.9	-70.9	-172.4	166.1	0	0	110.6	S196	E194-S196 PolarHBondContact O-N 3.38Å; E194-S196 VanDerWaalsContact O-N 3.17Å
195	G	81.9	Confident	91	Very high	34 Å²	34	50 Å²	50	35%	0.351	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-53.1	120.3	-179.3	0	0	0	0	0	111.5	D187	D187-G195 WeakPolarHBondContact O-CA 3.36Å
196	S	87.3	Confident	91.1	Very high	18 Å²	18	50 Å²	50	13%	0.126	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.4	178.4	67.9	0	0	0	0	111.2	E186 D187 E194 V198	E186-S196 CarbonylContact C-O 3.6Å; E186-S196 WeakPolarHBondContact CA-O 3.27Å; D187-S196 PolarHBondContact N-O 2.92Å; D187-S196 PolarHBondContact O-N 3.04Å; D187-S196 VanDerWaalsContact O-N 3.13Å; E194-S196 PolarHBondContact O-N 3.38Å; E194-S196 VanDerWaalsContact O-N 3.17Å; S196-V198 PolarHBondContact O-N 2.76Å
197	Q	95.5	Very high	91.2	Very high	100 Å²	100	47 Å²	47	47%	0.467	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.8	-179.3	-173.3	177	-79.4	0	0	110.7	F184 A185 N505	F184-Q197 HydrophobicContact CB-CG 4.03Å; F184-Q197 HydrophobicContact CD1-CG 3.98Å; F184-Q197 HydrophobicContact CG-CG 4.3Å; A185-Q197 CarbonylContact O-C 3.33Å; A185-Q197 WeakPolarHBondContact O-CA 3.4Å; Q197-N505 WeakPolarHBondContact O-CB 3.28Å
198	V	97.4	Very high	91.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.2	178.4	-56.8	0	0	0	0	111.5	F184 A185 D187 S196 L501 N505	F184-V198 CarbonylContact C-O 3.35Å; F184-V198 VanDerWaalsContact CA-O 3.24Å; F184-V198 WeakPolarHBondContact CA-O 3.3Å; A185-V198 HydrophobicContact CB-CG2 4.1Å; A185-V198 PolarHBondContact N-O 3.49Å; A185-V198 PolarHBondContact O-N 3.36Å; D187-V198 HydrophobicContact CB-CG1 3.67Å; D187-V198 HydrophobicContact CB-CG2 4.06Å; S196-V198 PolarHBondContact O-N 2.76Å; V198-L501 HydrophobicContact CB-CD1 4.36Å; V198-L501 HydrophobicContact CG1-CD1 3.94Å; V198-L501 HydrophobicContact CG2-CD1 4.47Å; V198-N505 CarbonylContact C-O 3.54Å; V198-N505 WeakPolarHBondContact CA-O 3.47Å; V198-N505 HydrophobicContact CB-CB 4.45Å; V198-N505 HydrophobicContact CG1-CB 4.06Å
199	S	98.4	Very high	91.6	Very high	11 Å²	11	42.6 Å²	42.6	8%	0.077	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.3	171	60.1	0	0	0	0	110.5	W201 N505 Y507	S199-W201 PolarHBondContact OG-NE1 3.3Å; S199-N505 PolarHBondContact N-O 3.34Å; S199-N505 PolarHBondContact OG-O 2.9Å; S199-Y507 PolarHBondContact O-N 3.27Å
200	V	98.6	Very high	92	Very high	9 Å²	9	42 Å²	42	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.7	-174.3	-176.5	0	0	0	0	112	P183 A185 Y507 H531	P183-V200 WeakPolarHBondContact O-CB 3.31Å; P183-V200 PolarHBondContact O-N 3.4Å; A185-V200 HydrophobicContact CB-CG2 3.55Å; V200-Y507 HydrophobicContact CG1-CD1 4Å; V200-Y507 HydrophobicContact CG2-CD1 4.29Å; V200-H531 PolarHBondContact O-CE1 3.36Å; V200-H531 PolarHBondContact O-NE2 2.93Å; V200-H531 VanDerWaalsContact O-NE2 3.08Å
201	W	98.8	Very high	92.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	25%	0.253	C	S	.	.	S	Bend	trans	-109.5	-2.6	-174.1	-64.9	84	0	0	0	114.5	S199 M464 Y507 V508 A526 H531 M535 M536 F539	S199-W201 PolarHBondContact OG-NE1 3.3Å; W201-M464 HydrophobicContact CE3-CE 4.41Å; W201-M464 HydrophobicContact CZ3-CE 4.08Å; W201-M464 HydrophobicContact CZ3-SD 4.31Å; W201-Y507 PolarHBondContact N-O 2.68Å; W201-V508 HydrophobicContact CB-CB 4.34Å; W201-A526 PolarHBondContact O-N 3.39Å; W201-H531 AromaticContact CD2-CD2 3.68Å; W201-H531 AromaticContact CD2-NE2 3.74Å; W201-H531 AromaticContact CE2-CD2 3.63Å; W201-H531 AromaticContact CE2-NE2 3.97Å; W201-H531 AromaticContact CE3-CD2 3.57Å; W201-H531 AromaticContact CE3-NE2 3.87Å; W201-H531 HydrophobicContact CH2-CB 4.08Å; W201-H531 AromaticContact CH2-CD2 3.43Å; W201-H531 VanDerWaalsContact CH2-CD2 3.43Å; W201-H531 WeakPolarHBondContact CH2-CD2 3.32Å; W201-H531 AromaticContact CZ2-CD2 3.54Å; W201-H531 HydrophobicContact CZ3-CB 4.07Å; W201-H531 AromaticContact CZ3-CD2 3.45Å; W201-H531 VanDerWaalsContact CZ3-CD2 3.45Å; W201-H531 WeakPolarHBondContact CZ3-CD2 3.42Å; W201-H531 AromaticContact CZ3-CG 3.88Å; W201-M535 HydrophobicContact CH2-CB 4.12Å; W201-M535 HydrophobicContact CZ2-CB 3.97Å; W201-M535 WeakPolarHBondContact CZ2-O 3.49Å; W201-M536 HydrophobicContact CH2-CB 4.34Å; W201-M536 HydrophobicContact CH2-CG 3.89Å; W201-M536 HydrophobicContact CZ3-CG 4.09Å; W201-F539 HydrophobicContact CB-CD2 4.39Å; W201-F539 HydrophobicContact CB-CE2 3.94Å; W201-F539 AromaticContact CD1-CD2 3.64Å; W201-F539 AromaticContact CD1-CE2 3.9Å; W201-F539 AromaticContact CD2-CD2 3.5Å; W201-F539 HydrophobicContact CD2-CD2 3.5Å; W201-F539 AromaticContact CD2-CE2 3.93Å; W201-F539 HydrophobicContact CD2-CE2 3.93Å; W201-F539 HydrophobicContact CD2-CG 4.15Å; W201-F539 AromaticContact CE2-CD2 3.5Å; W201-F539 HydrophobicContact CE3-CD2 4.14Å; W201-F539 HydrophobicContact CE3-CG 4.42Å; W201-F539 AromaticContact CG-CD2 3.6Å; W201-F539 HydrophobicContact CG-CD2 3.6Å; W201-F539 AromaticContact CG-CE2 3.63Å; W201-F539 HydrophobicContact CG-CE2 3.63Å; W201-F539 HydrophobicContact CH2-CB 3.99Å; W201-F539 HydrophobicContact CH2-CG 4.47Å; W201-F539 HydrophobicContact CZ2-CB 3.68Å; W201-F539 HydrophobicContact CZ2-CD2 4.11Å; W201-F539 HydrophobicContact CZ2-CG 4.2Å; W201-F539 AromaticContact NE1-CD2 3.58Å
202	C	98.3	Very high	93.8	Very high	22 Å²	22	35.6 Å²	35.6	15%	0.149	22%	0.215	C	C	.	.	S	Bend	trans	-119.2	12.8	-177.6	61.4	0	0	0	0	113.6	Q509	C202-Q509 HydrophobicContact CB-CB 4.09Å; C202-Q509 PolarHBondContact SG-N 3.46Å; C202-Q509 VanDerWaalsContact SG-N 3.45Å
203	S	98.3	Very high	94.9	Very high	22 Å²	22	35.1 Å²	35.1	15%	0.154	20%	0.195	C	C	.	.			trans	-70.5	143.4	175.1	-179.8	0	0	0	0	111	D205 A526	S203-D205 PolarHBondContact OG-N 3.31Å; S203-D205 VanDerWaalsContact OG-N 3.08Å; S203-A526 WeakPolarHBondContact O-CB 3.21Å
204	N	98.4	Very high	96	Very high	50 Å²	50	34.2 Å²	34.2	27%	0.267	19%	0.192	S	C	.	.	S	Bend	trans	-93.7	4.8	170	-65.4	-34.7	0	0	0	113.3	Y206 K398 R524	N204-Y206 HydrophobicContact CB-CE1 4.2Å; N204-Y206 HydrophobicContact CB-CE2 4.15Å; N204-Y206 WeakPolarHBondContact O-CD2 3.36Å; N204-Y206 PolarHBondContact O-N 3.44Å; N204-Y206 PolarHBondContact OD1-OH 2.93Å; N204-K398 HydrophobicContact CB-CB 4.3Å; N204-K398 HydrophobicContact CB-CD 4.2Å; N204-K398 HydrophobicContact CB-CG 3.79Å; N204-K398 CarbonylContact O-C 3.55Å; N204-K398 WeakPolarHBondContact O-CA 3.47Å; N204-K398 WeakPolarHBondContact O-CB 3.29Å; N204-R524 PolarHBondContact OD1-NH1 3.45Å; N204-R524 PolarHBondContact OD1-NH2 3.06Å
205	D	98.4	Very high	96.9	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	15%	0.153	C	C	.	.			trans	-75	67.7	164.2	-172.2	4.5	0	0	0	109.5	R177 F182 S203 L207 G208 M209 G210	R177-D205 IonicContact CZ-OD2 4Å; R177-D205 IonicContact NH1-OD2 3.7Å; R177-D205 PolarHBondContact NH1-OD2 3.03Å; R177-D205 IonicContact NH2-OD2 2.84Å; R177-D205 PolarHBondContact NH2-OD2 3.28Å; F182-D205 WeakPolarHBondContact CZ-O 3.4Å; S203-D205 PolarHBondContact OG-N 3.31Å; S203-D205 VanDerWaalsContact OG-N 3.08Å; D205-L207 PolarHBondContact O-N 3.17Å; D205-L207 VanDerWaalsContact O-N 3.13Å; D205-G208 PolarHBondContact O-N 3.46Å; D205-G208 VanDerWaalsContact O-N 3.16Å; D205-G208 WeakPolarHBondContact OD1-CA 3.25Å; D205-G208 PolarHBondContact OD1-N 2.9Å; D205-M209 PolarHBondContact OD1-N 3.29Å; D205-G210 PolarHBondContact OD1-N 3.15Å; D205-G210 WeakPolarHBondContact OD2-CA 3.39Å; D205-G210 PolarHBondContact OD2-N 3.11Å; D205-G210 VanDerWaalsContact OD2-N 3.09Å
206	Y	98.8	Very high	97.7	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.6	-164.7	-63.5	-58.1	0	0	0	114.2	N204 H367 L371 K398 A399 H481 R524 A526 S528 P529	N204-Y206 HydrophobicContact CB-CE1 4.2Å; N204-Y206 HydrophobicContact CB-CE2 4.15Å; N204-Y206 WeakPolarHBondContact O-CD2 3.36Å; N204-Y206 PolarHBondContact O-N 3.44Å; N204-Y206 PolarHBondContact OD1-OH 2.93Å; Y206-H367 AromaticContact CE2-ND1 3.98Å; Y206-H367 AromaticContact CZ-ND1 3.76Å; Y206-H367 PolarHBondContact OH-CE1 3.04Å; Y206-H367 PolarHBondContact OH-ND1 3.02Å; Y206-L371 HydrophobicContact CD2-CD1 3.58Å; Y206-L371 HydrophobicContact CD2-CG 4.45Å; Y206-L371 HydrophobicContact CE2-CD1 4.08Å; Y206-L371 HydrophobicContact CG-CD1 4.05Å; Y206-K398 HydrophobicContact CD2-CB 4.13Å; Y206-K398 HydrophobicContact CE2-CB 3.87Å; Y206-K398 HydrophobicContact CE2-CD 4.2Å; Y206-K398 HydrophobicContact CE2-CG 4.41Å; Y206-A399 HydrophobicContact CD2-CB 4.34Å; Y206-H481 AromaticContact CD1-CD2 3.75Å; Y206-H481 AromaticContact CD1-NE2 3.9Å; Y206-H481 AromaticContact CD2-NE2 4Å; Y206-H481 AromaticContact CE1-CD2 3.71Å; Y206-H481 AromaticContact CE1-NE2 3.54Å; Y206-H481 AromaticContact CE2-NE2 3.59Å; Y206-H481 AromaticContact CZ-NE2 3.37Å; Y206-R524 PolarHBondContact OH-NH2 3.25Å; Y206-A526 HydrophobicContact CD1-CB 4.09Å; Y206-A526 HydrophobicContact CE1-CB 3.78Å; Y206-S528 WeakPolarHBondContact O-CA 3.11Å; Y206-S528 WeakPolarHBondContact O-CB 3.44Å; Y206-P529 WeakPolarHBondContact O-CD 3.18Å
207	L	98.7	Very high	98.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	1	-176	-58	-178.5	0	0	0	112.8	D205 M209 L371 A399 L445 L453 H457 P529 H530	D205-L207 PolarHBondContact O-N 3.17Å; D205-L207 VanDerWaalsContact O-N 3.13Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 HydrophobicContact CB-CG 4.02Å; L207-L371 HydrophobicContact CD1-CD2 3.93Å; L207-L371 HydrophobicContact CD2-CD2 3.72Å; L207-L371 HydrophobicContact CG-CD2 3.71Å; L207-A399 HydrophobicContact CD1-CB 4.41Å; L207-L445 HydrophobicContact CD1-CD1 3.81Å; L207-L445 HydrophobicContact CD1-CD2 3.55Å; L207-L445 HydrophobicContact CD1-CG 4.36Å; L207-L453 HydrophobicContact CD1-CB 4.48Å; L207-L453 HydrophobicContact CD2-CB 4.37Å; L207-H457 HydrophobicContact CD2-CB 3.9Å; L207-P529 HydrophobicContact CD2-CG 3.89Å; L207-H530 PolarHBondContact O-NE2 2.91Å; L207-H530 VanDerWaalsContact O-NE2 3.08Å
208	G	98.2	Very high	98.3	Very high	7 Å²	7	26.4 Å²	26.4	7%	0.072	15%	0.153	C	C	.	.			trans	71.3	22.5	-175.9	0	0	0	0	0	113.5	D205 G210 S211 H212	D205-G208 PolarHBondContact O-N 3.46Å; D205-G208 VanDerWaalsContact O-N 3.16Å; D205-G208 WeakPolarHBondContact OD1-CA 3.25Å; D205-G208 PolarHBondContact OD1-N 2.9Å; G208-G210 PolarHBondContact O-N 3.26Å; G208-S211 PolarHBondContact O-N 3.4Å; G208-S211 VanDerWaalsContact O-N 3.11Å; G208-H212 PolarHBondContact O-N 2.88Å
209	M	98.7	Very high	98.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-67.7	-23.3	-175.6	-69	-52.7	-63.3	0	0	112.8	D205 L207 S211 H212 V215 A399 V444 L445 L453	D205-M209 PolarHBondContact OD1-N 3.29Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 HydrophobicContact CB-CG 4.02Å; M209-S211 PolarHBondContact O-N 3.29Å; M209-S211 VanDerWaalsContact O-N 3.15Å; M209-H212 HydrophobicContact CE-CB 3.78Å; M209-H212 WeakPolarHBondContact O-CB 3.38Å; M209-H212 PolarHBondContact O-N 2.88Å; M209-H212 VanDerWaalsContact O-N 3.14Å; M209-H212 HydrophobicContact SD-CB 4.08Å; M209-V215 HydrophobicContact CE-CG2 3.88Å; M209-A399 VanDerWaalsContact CB-O 3.31Å; M209-A399 WeakPolarHBondContact CB-O 3.22Å; M209-A399 WeakPolarHBondContact CG-O 3.48Å; M209-V444 HydrophobicContact CE-CB 3.89Å; M209-V444 HydrophobicContact CE-CG1 3.72Å; M209-V444 HydrophobicContact SD-CG1 4.45Å; M209-L445 HydrophobicContact CE-CD2 4.36Å; M209-L445 HydrophobicContact CE-CG 4.43Å; M209-L445 HydrophobicContact CG-CD1 4.15Å; M209-L445 HydrophobicContact CG-CD2 4.06Å; M209-L445 HydrophobicContact CG-CG 4.27Å; M209-L445 HydrophobicContact SD-CD2 3.8Å; M209-L445 HydrophobicContact SD-CG 4.36Å; M209-L453 HydrophobicContact SD-CD1 4.12Å
210	G	97	Very high	98.4	Very high	22 Å²	22	32.6 Å²	32.6	23%	0.227	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.7	-15.7	174.9	0	0	0	0	0	113.5	D205 G208 G401	D205-G210 PolarHBondContact OD1-N 3.15Å; D205-G210 WeakPolarHBondContact OD2-CA 3.39Å; D205-G210 PolarHBondContact OD2-N 3.11Å; D205-G210 VanDerWaalsContact OD2-N 3.09Å; G208-G210 PolarHBondContact O-N 3.26Å; G210-G401 VanDerWaalsContact CA-O 3.25Å; G210-G401 WeakPolarHBondContact CA-O 3.36Å
211	S	97	Very high	98.4	Very high	21 Å²	21	35.7 Å²	35.7	15%	0.147	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-115.1	4.7	177	-51.1	0	0	0	0	112.9	A179 G208 M209 L216	A179-S211 WeakPolarHBondContact CA-OG 3.4Å; A179-S211 WeakPolarHBondContact O-CB 3.45Å; G208-S211 PolarHBondContact O-N 3.4Å; G208-S211 VanDerWaalsContact O-N 3.11Å; M209-S211 PolarHBondContact O-N 3.29Å; M209-S211 VanDerWaalsContact O-N 3.15Å; S211-L216 WeakPolarHBondContact O-CD1 3.47Å
212	H	98.6	Very high	98.4	Very high	27 Å²	27	35.7 Å²	35.7	13%	0.125	20%	0.198	C	C	.	.			trans	-68.7	131.9	-175.3	-175.9	-87.9	0	0	0	111.3	G208 M209 R214 V215 L216 E449	G208-H212 PolarHBondContact O-N 2.88Å; M209-H212 HydrophobicContact CE-CB 3.78Å; M209-H212 WeakPolarHBondContact O-CB 3.38Å; M209-H212 PolarHBondContact O-N 2.88Å; M209-H212 VanDerWaalsContact O-N 3.14Å; M209-H212 HydrophobicContact SD-CB 4.08Å; H212-R214 VanDerWaalsContact C-N 3.32Å; H212-R214 PolarHBondContact ND1-N 3.42Å; H212-R214 PolarHBondContact O-N 3.24Å; H212-R214 VanDerWaalsContact O-N 3.17Å; H212-V215 HydrophobicContact CB-CB 4.27Å; H212-V215 HydrophobicContact CB-CG2 4Å; H212-V215 WeakPolarHBondContact O-CA 3.34Å; H212-V215 WeakPolarHBondContact O-CB 3.39Å; H212-V215 PolarHBondContact O-N 3.24Å; H212-L216 PolarHBondContact O-N 3.49Å; H212-E449 IonicContact CD2-OE1 3.48Å; H212-E449 IonicContact CE1-OE1 3.47Å; H212-E449 IonicContact NE2-OE1 3.8Å; H212-E449 PolarHBondContact NE2-OE1 3.13Å; H212-E449 IonicContact NE2-OE2 3.4Å
213	P	98.4	Very high	98.4	Very high	83 Å²	83	38.3 Å²	38.3	54%	0.539	21%	0.211	S	C	.	.	H	α-helix	trans	-55.4	-40.9	-172.6	-28.7	34.9	0	0	0	114.4	V215 L216 N217	P213-V215 VanDerWaalsContact C-N 3.33Å; P213-V215 PolarHBondContact O-N 3.3Å; P213-L216 PolarHBondContact O-N 3.4Å; P213-N217 WeakPolarHBondContact O-CB 3.48Å; P213-N217 PolarHBondContact O-N 3.07Å; P213-N217 PolarHBondContact O-ND2 3.41Å
214	R	98.6	Very high	98.4	Very high	104 Å²	104	45.2 Å²	45.2	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-34.9	177	-67.4	-177.5	56.4	-172.4	-2.8	113.1	H212 G218 E440 V444	H212-R214 VanDerWaalsContact C-N 3.32Å; H212-R214 PolarHBondContact ND1-N 3.42Å; H212-R214 PolarHBondContact O-N 3.24Å; H212-R214 VanDerWaalsContact O-N 3.17Å; R214-G218 PolarHBondContact O-N 2.91Å; R214-E440 IonicContact CZ-OE2 3.61Å; R214-E440 IonicContact NE-OE2 3.82Å; R214-E440 IonicContact NH2-OE2 3.09Å; R214-E440 PolarHBondContact NH2-OE2 2.95Å; R214-V444 HydrophobicContact CB-CG2 4.3Å
215	V	98.8	Very high	98.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-69.9	-49.1	178.1	175.1	0	0	0	0	109.3	M209 H212 P213 N217 G218 I219	M209-V215 HydrophobicContact CE-CG2 3.88Å; H212-V215 HydrophobicContact CB-CB 4.27Å; H212-V215 HydrophobicContact CB-CG2 4Å; H212-V215 WeakPolarHBondContact O-CA 3.34Å; H212-V215 WeakPolarHBondContact O-CB 3.39Å; H212-V215 PolarHBondContact O-N 3.24Å; P213-V215 VanDerWaalsContact C-N 3.33Å; P213-V215 PolarHBondContact O-N 3.3Å; V215-N217 VanDerWaalsContact C-N 3.35Å; V215-N217 PolarHBondContact O-N 2.98Å; V215-G218 PolarHBondContact O-N 2.94Å; V215-I219 HydrophobicContact CG1-CD1 3.97Å; V215-I219 WeakPolarHBondContact O-CG1 3.33Å; V215-I219 PolarHBondContact O-N 3.43Å
216	L	98.7	Very high	98.4	Very high	57 Å²	57	54.6 Å²	54.6	30%	0.298	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-45.1	177	-65.3	179.6	0	0	0	111.9	S211 H212 P213 I219 Q220	S211-L216 WeakPolarHBondContact O-CD1 3.47Å; H212-L216 PolarHBondContact O-N 3.49Å; P213-L216 PolarHBondContact O-N 3.4Å; L216-I219 PolarHBondContact O-N 3.34Å; L216-Q220 WeakPolarHBondContact O-CB 3.3Å; L216-Q220 VanDerWaalsContact O-CG 3.29Å; L216-Q220 WeakPolarHBondContact O-CG 3.43Å; L216-Q220 PolarHBondContact O-N 3.3Å
217	N	98.6	Very high	98.4	Very high	90 Å²	90	56 Å²	56	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-44.9	176.7	-71.9	-18.3	0	0	0	111.6	P213 V215 I219 Q220 D221	P213-N217 WeakPolarHBondContact O-CB 3.48Å; P213-N217 PolarHBondContact O-N 3.07Å; P213-N217 PolarHBondContact O-ND2 3.41Å; V215-N217 VanDerWaalsContact C-N 3.35Å; V215-N217 PolarHBondContact O-N 2.98Å; N217-I219 VanDerWaalsContact C-N 3.31Å; N217-I219 PolarHBondContact O-N 3.21Å; N217-Q220 PolarHBondContact O-N 3.42Å; N217-D221 VanDerWaalsContact O-CB 3.28Å; N217-D221 WeakPolarHBondContact O-CB 3.43Å; N217-D221 PolarHBondContact O-N 2.89Å
218	G	98.5	Very high	98.3	Very high	16 Å²	16	58.7 Å²	58.7	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-41.8	176.1	0	0	0	0	0	112.9	R214 V215 A222 A436	R214-G218 PolarHBondContact O-N 2.91Å; V215-G218 PolarHBondContact O-N 2.94Å; G218-A222 WeakPolarHBondContact O-CB 3.47Å; G218-A222 PolarHBondContact O-N 3.43Å; G218-A436 WeakPolarHBondContact O-CB 3.29Å
219	I	98.8	Very high	98.3	Very high	48 Å²	48	60.9 Å²	60.9	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-52.3	175.2	-66.4	166.5	0	0	0	110.7	V215 L216 N217 D221 A222 L223 M433	V215-I219 HydrophobicContact CG1-CD1 3.97Å; V215-I219 WeakPolarHBondContact O-CG1 3.33Å; V215-I219 PolarHBondContact O-N 3.43Å; L216-I219 PolarHBondContact O-N 3.34Å; N217-I219 VanDerWaalsContact C-N 3.31Å; N217-I219 PolarHBondContact O-N 3.21Å; I219-D221 VanDerWaalsContact C-N 3.32Å; I219-D221 PolarHBondContact O-N 2.89Å; I219-A222 PolarHBondContact O-N 3.04Å; I219-L223 VanDerWaalsContact O-CB 3.27Å; I219-L223 WeakPolarHBondContact O-CB 3.45Å; I219-L223 PolarHBondContact O-N 3Å; I219-M433 WeakPolarHBondContact CG1-O 3.34Å; I219-M433 HydrophobicContact CG2-CB 4.27Å
220	Q	98.7	Very high	98.2	Very high	94 Å²	94	61.7 Å²	61.7	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-43	-177.1	-75.1	178.9	-0.1	0	0	112.1	L216 N217 L223 K224	L216-Q220 WeakPolarHBondContact O-CB 3.3Å; L216-Q220 VanDerWaalsContact O-CG 3.29Å; L216-Q220 WeakPolarHBondContact O-CG 3.43Å; L216-Q220 PolarHBondContact O-N 3.3Å; N217-Q220 PolarHBondContact O-N 3.42Å; Q220-L223 PolarHBondContact O-N 3.18Å; Q220-K224 WeakPolarHBondContact O-CB 3.4Å; Q220-K224 VanDerWaalsContact O-CG 3.3Å; Q220-K224 WeakPolarHBondContact O-CG 3.29Å; Q220-K224 PolarHBondContact O-N 3.43Å
221	D	98.6	Very high	98.3	Very high	73 Å²	73	64 Å²	64	39%	0.39	36%	0.363	S	S	.	.	H	α-helix	trans	-63.2	-48.2	179	-97.6	22	0	0	0	112.4	N217 I219 K224 R225	N217-D221 VanDerWaalsContact O-CB 3.28Å; N217-D221 WeakPolarHBondContact O-CB 3.43Å; N217-D221 PolarHBondContact O-N 2.89Å; I219-D221 VanDerWaalsContact C-N 3.32Å; I219-D221 PolarHBondContact O-N 2.89Å; D221-K224 PolarHBondContact O-N 2.89Å; D221-R225 WeakPolarHBondContact O-CB 3.1Å; D221-R225 WeakPolarHBondContact O-CG 3.32Å; D221-R225 PolarHBondContact O-N 3.19Å; D221-R225 VanDerWaalsContact O-N 3.14Å; D221-R225 PolarHBondContact O-NE 3.2Å; D221-R225 IonicContact OD2-CZ 3.99Å; D221-R225 IonicContact OD2-NH2 2.88Å; D221-R225 PolarHBondContact OD2-NH2 3.06Å
222	A	98.6	Very high	98.3	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-37.6	178.1	0	0	0	0	0	111.7	G218 I219 R225 H226 F242 M433 A436	G218-A222 WeakPolarHBondContact O-CB 3.47Å; G218-A222 PolarHBondContact O-N 3.43Å; I219-A222 PolarHBondContact O-N 3.04Å; A222-R225 PolarHBondContact O-N 2.61Å; A222-H226 WeakPolarHBondContact O-CA 3.47Å; A222-H226 WeakPolarHBondContact O-CB 3.47Å; A222-H226 PolarHBondContact O-N 3.4Å; A222-F242 HydrophobicContact CB-CE1 4.37Å; A222-F242 HydrophobicContact CB-CZ 4.08Å; A222-M433 HydrophobicContact CB-CB 4.14Å; A222-A436 HydrophobicContact CB-CB 3.59Å
223	L	98.6	Very high	98.3	Very high	77 Å²	77	63.8 Å²	63.8	40%	0.403	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-48.4	174.7	172.6	65.3	0	0	0	111.3	I219 Q220 R225 G227 A228 M433	I219-L223 VanDerWaalsContact O-CB 3.27Å; I219-L223 WeakPolarHBondContact O-CB 3.45Å; I219-L223 PolarHBondContact O-N 3Å; Q220-L223 PolarHBondContact O-N 3.18Å; L223-R225 VanDerWaalsContact C-N 3.3Å; L223-R225 PolarHBondContact O-N 2.99Å; L223-G227 VanDerWaalsContact O-CA 3.28Å; L223-G227 WeakPolarHBondContact O-CA 3.36Å; L223-G227 PolarHBondContact O-N 2.94Å; L223-A228 HydrophobicContact CD1-CB 4.41Å; L223-M433 HydrophobicContact CB-CB 4.14Å; L223-M433 HydrophobicContact CB-SD 3.92Å; L223-M433 HydrophobicContact CD1-SD 3.49Å; L223-M433 WeakPolarHBondContact CD1-SD 3.24Å; L223-M433 HydrophobicContact CD2-SD 4.47Å; L223-M433 HydrophobicContact CG-SD 4.13Å
224	K	98.6	Very high	98.3	Very high	167 Å²	167	61.4 Å²	61.4	73%	0.726	35%	0.346	S	S	*	.	H	α-helix	trans	-61.6	-37.8	178.9	-74.8	172.1	-176.6	171.9	0	112.4	Q220 D221	Q220-K224 WeakPolarHBondContact O-CB 3.4Å; Q220-K224 VanDerWaalsContact O-CG 3.3Å; Q220-K224 WeakPolarHBondContact O-CG 3.29Å; Q220-K224 PolarHBondContact O-N 3.43Å; D221-K224 PolarHBondContact O-N 2.89Å
225	R	98.4	Very high	98.3	Very high	154 Å²	154	63.5 Å²	63.5	58%	0.581	37%	0.365	S	S	*	.	H	α-helix	trans	-88.3	-31.7	-174.5	-71.3	-174.4	-101.9	139.8	-15.7	114.4	D221 A222 L223	D221-R225 WeakPolarHBondContact O-CB 3.1Å; D221-R225 WeakPolarHBondContact O-CG 3.32Å; D221-R225 PolarHBondContact O-N 3.19Å; D221-R225 VanDerWaalsContact O-N 3.14Å; D221-R225 PolarHBondContact O-NE 3.2Å; D221-R225 IonicContact OD2-CZ 3.99Å; D221-R225 IonicContact OD2-NH2 2.88Å; D221-R225 PolarHBondContact OD2-NH2 3.06Å; A222-R225 PolarHBondContact O-N 2.61Å; L223-R225 VanDerWaalsContact C-N 3.3Å; L223-R225 PolarHBondContact O-N 2.99Å
226	H	98.3	Very high	98.2	Very high	100 Å²	100	68.8 Å²	68.8	46%	0.463	39%	0.392	S	S	.	.	H	α-helix	trans	-127.8	-1.6	-168.1	-54.5	-61.3	0	0	0	113.7	A222 F242	A222-H226 WeakPolarHBondContact O-CA 3.47Å; A222-H226 WeakPolarHBondContact O-CB 3.47Å; A222-H226 PolarHBondContact O-N 3.4Å; H226-F242 AromaticContact CD2-CE2 3.46Å; H226-F242 VanDerWaalsContact CD2-CE2 3.46Å; H226-F242 WeakPolarHBondContact CD2-CE2 3.44Å; H226-F242 AromaticContact CD2-CZ 3.77Å; H226-F242 AromaticContact NE2-CE2 3.7Å; H226-F242 AromaticContact NE2-CZ 3.87Å
227	G	98.1	Very high	98.1	Very high	31 Å²	31	71 Å²	71	32%	0.32	41%	0.412	S	S	.	.			trans	75.2	-166.7	179.3	0	0	0	0	0	113.4	L223	L223-G227 VanDerWaalsContact O-CA 3.28Å; L223-G227 WeakPolarHBondContact O-CA 3.36Å; L223-G227 PolarHBondContact O-N 2.94Å
228	A	97.1	Very high	98.1	Very high	57 Å²	57	66.8 Å²	66.8	47%	0.471	39%	0.39	S	S	.	.	S	Bend	trans	-84.7	-65.8	-171.9	0	0	0	0	0	113	L223 P431 M433	L223-A228 HydrophobicContact CD1-CB 4.41Å; A228-P431 WeakPolarHBondContact O-CB 3.29Å; A228-M433 HydrophobicContact CB-CE 4.14Å
229	G	97.5	Very high	98.1	Very high	53 Å²	53	69 Å²	69	55%	0.546	40%	0.401	S	S	.	.			trans	-87.1	152.6	-173.6	0	0	0	0	0	113.7	G231	G229-G231 PolarHBondContact O-N 2.9Å
230	A	97.9	Very high	98.1	Very high	18 Å²	18	68.1 Å²	68.1	15%	0.149	40%	0.399	C	S	.	.			trans	-66.5	-23.2	170.4	0	0	0	0	0	113.1	G232 S429	A230-G232 VanDerWaalsContact C-N 3.29Å; A230-G232 PolarHBondContact O-N 3.37Å; A230-S429 WeakPolarHBondContact CB-O 3.45Å
231	G	97.6	Very high	98.1	Very high	70 Å²	70	68.8 Å²	68.8	72%	0.722	41%	0.405	S	S	*	.			trans	80.1	-0.6	175.3	0	0	0	0	0	115.7	G229	G229-G231 PolarHBondContact O-N 2.9Å
232	G	97.8	Very high	98.1	Very high	12 Å²	12	67.1 Å²	67.1	12%	0.124	40%	0.395	C	S	.	.	S	Bend	trans	-175.6	-177.5	176.2	0	0	0	0	0	113.9	A230 I236 S429	A230-G232 VanDerWaalsContact C-N 3.29Å; A230-G232 PolarHBondContact O-N 3.37Å; G232-I236 WeakPolarHBondContact CA-O 3.4Å; G232-S429 PolarHBondContact O-N 2.91Å
233	T	98.4	Very high	98.1	Very high	32 Å²	32	67 Å²	67	20%	0.196	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-74.1	167	174	72.4	0	0	0	0	110.6	N235 I236 G238 T427	T233-N235 PolarHBondContact O-N 3.24Å; T233-N235 VanDerWaalsContact O-N 3.11Å; T233-I236 CarbonylContact O-C 3.59Å; T233-I236 PolarHBondContact O-N 3.05Å; T233-I236 PolarHBondContact OG1-N 3.21Å; T233-G238 WeakPolarHBondContact O-CA 3.45Å; T233-G238 PolarHBondContact O-N 2.99Å; T233-T427 WeakPolarHBondContact CA-O 3.44Å; T233-T427 WeakPolarHBondContact CB-O 3.44Å; T233-T427 WeakPolarHBondContact CG2-O 3.28Å
234	R	98.4	Very high	98.1	Very high	33 Å²	33	67 Å²	67	13%	0.125	40%	0.397	C	S	.	.	I	π-helix	trans	-50.2	-40.2	178.6	-73.7	-69.9	-61.1	-94	8.5	113.2	T239 E247 F424 S429	R234-T239 WeakPolarHBondContact CA-OG1 3.32Å; R234-T239 WeakPolarHBondContact CD-OG1 3.1Å; R234-T239 PolarHBondContact NE-OG1 2.65Å; R234-T239 WeakPolarHBondContact O-CB 3.45Å; R234-T239 PolarHBondContact O-OG1 3.3Å; R234-E247 IonicContact CZ-OE1 3.29Å; R234-E247 IonicContact CZ-OE2 2.72Å; R234-E247 IonicContact NH1-OE1 2.74Å; R234-E247 PolarHBondContact NH1-OE1 3.33Å; R234-E247 IonicContact NH1-OE2 3.85Å; R234-E247 IonicContact NH2-OE1 2.83Å; R234-E247 PolarHBondContact NH2-OE1 2.96Å; R234-E247 IonicContact NH2-OE2 3.5Å; R234-E247 PolarHBondContact NH2-OE2 2.83Å; R234-F424 HydrophobicContact CB-CE1 4.33Å; R234-F424 HydrophobicContact CB-CZ 4.13Å; R234-F424 HydrophobicContact CG-CE1 4.26Å; R234-F424 HydrophobicContact CG-CE2 4Å; R234-F424 HydrophobicContact CG-CZ 3.67Å; R234-F424 VanDerWaalsContact NH1-CE2 3.34Å; R234-S429 WeakPolarHBondContact CD-OG 3.15Å
235	N	97.5	Very high	98.2	Very high	149 Å²	149	61.9 Å²	61.9	80%	0.797	38%	0.377	S	S	*	.	I	π-helix	trans	-80.9	-23.6	-178.7	-166.9	52.8	0	0	0	113.9	T233	T233-N235 PolarHBondContact O-N 3.24Å; T233-N235 VanDerWaalsContact O-N 3.11Å
236	I	97.3	Very high	98.2	Very high	111 Å²	111	54.6 Å²	54.6	57%	0.569	35%	0.349	S	S	*	.	I	π-helix	trans	-117	86	-173.3	-52.5	173.5	0	0	0	108.3	G232 T233 G238	G232-I236 WeakPolarHBondContact CA-O 3.4Å; T233-I236 CarbonylContact O-C 3.59Å; T233-I236 PolarHBondContact O-N 3.05Å; T233-I236 PolarHBondContact OG1-N 3.21Å; I236-G238 PolarHBondContact O-N 3.28Å
237	S	97.3	Very high	98.2	Very high	103 Å²	103	51 Å²	51	72%	0.72	33%	0.333	S	S	*	.	I	π-helix	trans	57.6	-1.4	179.3	55.9	0	0	0	0	117.5
238	G	98.3	Very high	98.3	Very high	2 Å²	2	55.3 Å²	55.3	2%	0.021	34%	0.343	C	S	.	.	I	π-helix	trans	-87.7	-7.8	-176.6	0	0	0	0	0	115.6	T233 I236 H243 S429	T233-G238 WeakPolarHBondContact O-CA 3.45Å; T233-G238 PolarHBondContact O-N 2.99Å; I236-G238 PolarHBondContact O-N 3.28Å; G238-H243 PolarHBondContact O-CE1 3.04Å; G238-H243 PolarHBondContact O-NE2 3.16Å; G238-S429 VanDerWaalsContact O-CB 3.28Å; G238-S429 WeakPolarHBondContact O-CB 3.41Å; G238-S429 PolarHBondContact O-OG 3.29Å
239	T	98.8	Very high	98.3	Very high	63 Å²	63	53.6 Å²	53.6	39%	0.387	33%	0.325	S	S	.	.			trans	-87.6	112.3	172.8	-62.3	0	0	0	0	110.3	R234 H243 V244	R234-T239 WeakPolarHBondContact CA-OG1 3.32Å; R234-T239 WeakPolarHBondContact CD-OG1 3.1Å; R234-T239 PolarHBondContact NE-OG1 2.65Å; R234-T239 WeakPolarHBondContact O-CB 3.45Å; R234-T239 PolarHBondContact O-OG1 3.3Å; T239-H243 HydrophobicContact CG2-CB 4.33Å; T239-V244 HydrophobicContact CG2-CG2 4.25Å
240	S	98.8	Very high	98.4	Very high	30 Å²	30	51.1 Å²	51.1	21%	0.21	30%	0.299	C	S	.	.			trans	-103.2	166.9	172.6	75.2	0	0	0	0	111.7	F242 H243	S240-F242 PolarHBondContact O-N 3.05Å; S240-F242 VanDerWaalsContact O-N 3.14Å; S240-F242 PolarHBondContact OG-N 3.04Å; S240-H243 PolarHBondContact N-ND1 3.14Å; S240-H243 WeakPolarHBondContact O-CB 3.37Å; S240-H243 PolarHBondContact O-N 3.2Å; S240-H243 PolarHBondContact OG-CE1 3.41Å; S240-H243 PolarHBondContact OG-ND1 3.11Å
241	N	98.5	Very high	98.5	Very high	108 Å²	108	50.9 Å²	50.9	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-58.2	-27.6	175.2	-166.6	45.5	0	0	0	112.8	H243 V244 L245	N241-H243 VanDerWaalsContact C-N 3.28Å; N241-H243 PolarHBondContact O-N 2.71Å; N241-V244 PolarHBondContact O-N 3.35Å; N241-L245 WeakPolarHBondContact ND2-CD1 3.04Å; N241-L245 WeakPolarHBondContact O-CB 3.4Å; N241-L245 VanDerWaalsContact O-CG 3.28Å; N241-L245 WeakPolarHBondContact O-CG 3.38Å; N241-L245 PolarHBondContact O-N 2.96Å
242	F	98.8	Very high	98.5	Very high	37 Å²	37	52.4 Å²	52.4	16%	0.162	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-31.5	175.3	-59.8	-82	0	0	0	112.8	A222 H226 S240 L246 P432 L435 A436	A222-F242 HydrophobicContact CB-CE1 4.37Å; A222-F242 HydrophobicContact CB-CZ 4.08Å; H226-F242 AromaticContact CD2-CE2 3.46Å; H226-F242 VanDerWaalsContact CD2-CE2 3.46Å; H226-F242 WeakPolarHBondContact CD2-CE2 3.44Å; H226-F242 AromaticContact CD2-CZ 3.77Å; H226-F242 AromaticContact NE2-CE2 3.7Å; H226-F242 AromaticContact NE2-CZ 3.87Å; S240-F242 PolarHBondContact O-N 3.05Å; S240-F242 VanDerWaalsContact O-N 3.14Å; S240-F242 PolarHBondContact OG-N 3.04Å; F242-L246 VanDerWaalsContact O-CB 3.23Å; F242-L246 WeakPolarHBondContact O-CB 3.29Å; F242-L246 PolarHBondContact O-N 2.97Å; F242-P432 HydrophobicContact CD2-CB 3.81Å; F242-P432 HydrophobicContact CE2-CB 4.27Å; F242-L435 HydrophobicContact CB-CB 3.83Å; F242-L435 HydrophobicContact CB-CD1 4.38Å; F242-A436 HydrophobicContact CD1-CB 3.69Å; F242-A436 HydrophobicContact CE1-CB 3.69Å
243	H	98.9	Very high	98.6	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-51.9	173.9	-63.2	74.6	0	0	0	110.2	G238 T239 S240 N241 L245 L246 E247 S429 L430 L435	G238-H243 PolarHBondContact O-CE1 3.04Å; G238-H243 PolarHBondContact O-NE2 3.16Å; T239-H243 HydrophobicContact CG2-CB 4.33Å; S240-H243 PolarHBondContact N-ND1 3.14Å; S240-H243 WeakPolarHBondContact O-CB 3.37Å; S240-H243 PolarHBondContact O-N 3.2Å; S240-H243 PolarHBondContact OG-CE1 3.41Å; S240-H243 PolarHBondContact OG-ND1 3.11Å; N241-H243 VanDerWaalsContact C-N 3.28Å; N241-H243 PolarHBondContact O-N 2.71Å; H243-L245 VanDerWaalsContact C-N 3.35Å; H243-L245 PolarHBondContact O-N 2.99Å; H243-L246 PolarHBondContact O-N 3.06Å; H243-E247 WeakPolarHBondContact O-CB 3.43Å; H243-E247 WeakPolarHBondContact O-CG 3.4Å; H243-E247 PolarHBondContact O-N 2.81Å; H243-S429 PolarHBondContact CD2-OG 3.5Å; H243-S429 PolarHBondContact NE2-OG 3.17Å; H243-L430 PolarHBondContact NE2-O 3.43Å; H243-L435 HydrophobicContact CB-CD1 4.29Å; H243-L435 WeakPolarHBondContact CD2-CD1 3.41Å; H243-L435 WeakPolarHBondContact CE1-CD1 3.05Å; H243-L435 VanDerWaalsContact CG-CD1 3.43Å; H243-L435 VanDerWaalsContact ND1-CD1 3.34Å; H243-L435 WeakPolarHBondContact ND1-CD1 3.37Å; H243-L435 VanDerWaalsContact NE2-CD1 3.3Å; H243-L435 WeakPolarHBondContact NE2-CD1 3.34Å
244	V	98.9	Very high	98.6	Very high	76 Å²	76	50.7 Å²	50.7	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-44	-177.5	179.9	0	0	0	0	111.1	T239 N241 K248	T239-V244 HydrophobicContact CG2-CG2 4.25Å; N241-V244 PolarHBondContact O-N 3.35Å; V244-K248 WeakPolarHBondContact O-CB 3.39Å; V244-K248 PolarHBondContact O-N 3.35Å
245	L	98.9	Very high	98.6	Very high	60 Å²	60	56.4 Å²	56.4	31%	0.314	30%	0.3	S	S	.	.	H	α-helix	trans	-65.8	-42.5	178.2	-71.2	177	0	0	0	112.2	N241 H243 K248 E249 L439	N241-L245 WeakPolarHBondContact ND2-CD1 3.04Å; N241-L245 WeakPolarHBondContact O-CB 3.4Å; N241-L245 VanDerWaalsContact O-CG 3.28Å; N241-L245 WeakPolarHBondContact O-CG 3.38Å; N241-L245 PolarHBondContact O-N 2.96Å; H243-L245 VanDerWaalsContact C-N 3.35Å; H243-L245 PolarHBondContact O-N 2.99Å; L245-K248 PolarHBondContact O-N 3.32Å; L245-E249 WeakPolarHBondContact O-CB 3.33Å; L245-E249 PolarHBondContact O-N 2.66Å; L245-L439 HydrophobicContact CB-CD2 3.94Å; L245-L439 HydrophobicContact CD1-CD2 4.33Å
246	L	98.9	Very high	98.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-44.1	178.4	-176.6	62.9	0	0	0	111.8	F242 H243 K248 E249 L250 V261 L396 L435 A438 L439 V442	F242-L246 VanDerWaalsContact O-CB 3.23Å; F242-L246 WeakPolarHBondContact O-CB 3.29Å; F242-L246 PolarHBondContact O-N 2.97Å; H243-L246 PolarHBondContact O-N 3.06Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 2.99Å; L246-E249 PolarHBondContact O-N 2.9Å; L246-L250 HydrophobicContact CD1-CD1 4.2Å; L246-L250 HydrophobicContact CD1-CG 4.16Å; L246-L250 HydrophobicContact CG-CD1 3.87Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 VanDerWaalsContact O-CG 3.24Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.88Å; L246-V261 HydrophobicContact CD2-CG2 4.17Å; L246-V261 HydrophobicContact CG-CG2 4.38Å; L246-L396 HydrophobicContact CD2-CD1 3.7Å; L246-L435 HydrophobicContact CD2-CB 4.37Å; L246-L435 HydrophobicContact CD2-CD2 3.62Å; L246-A438 HydrophobicContact CD1-CB 4.39Å; L246-A438 HydrophobicContact CD2-CB 4.05Å; L246-L439 HydrophobicContact CD1-CB 4.2Å; L246-L439 HydrophobicContact CD1-CD1 4.36Å; L246-V442 HydrophobicContact CD1-CG2 4.38Å
247	E	98.9	Very high	98.7	Very high	24 Å²	24	51.4 Å²	51.4	11%	0.112	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-41.5	175.7	-75.5	173.8	162.3	0	0	111.2	R234 H243 S251 A259 V261	R234-E247 IonicContact CZ-OE1 3.29Å; R234-E247 IonicContact CZ-OE2 2.72Å; R234-E247 IonicContact NH1-OE1 2.74Å; R234-E247 PolarHBondContact NH1-OE1 3.33Å; R234-E247 IonicContact NH1-OE2 3.85Å; R234-E247 IonicContact NH2-OE1 2.83Å; R234-E247 PolarHBondContact NH2-OE1 2.96Å; R234-E247 IonicContact NH2-OE2 3.5Å; R234-E247 PolarHBondContact NH2-OE2 2.83Å; H243-E247 WeakPolarHBondContact O-CB 3.43Å; H243-E247 WeakPolarHBondContact O-CG 3.4Å; H243-E247 PolarHBondContact O-N 2.81Å; E247-S251 WeakPolarHBondContact O-CB 3.37Å; E247-S251 PolarHBondContact O-N 3.45Å; E247-A259 WeakPolarHBondContact O-CB 3.49Å; E247-V261 HydrophobicContact CG-CB 4.24Å; E247-V261 HydrophobicContact CG-CG2 3.69Å; E247-V261 PolarHBondContact OE1-N 3.44Å
248	K	98.9	Very high	98.8	Very high	122 Å²	122	47.1 Å²	47.1	53%	0.53	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-43.9	173.9	-175	179.5	-179.5	-179.1	0	112.8	V244 L245 L246 L250 S251 Q252	V244-K248 WeakPolarHBondContact O-CB 3.39Å; V244-K248 PolarHBondContact O-N 3.35Å; L245-K248 PolarHBondContact O-N 3.32Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 2.99Å; K248-L250 VanDerWaalsContact C-N 3.31Å; K248-L250 PolarHBondContact O-N 3.29Å; K248-S251 PolarHBondContact O-N 2.86Å; K248-S251 PolarHBondContact O-OG 3.23Å; K248-S251 VanDerWaalsContact O-OG 3.06Å; K248-Q252 WeakPolarHBondContact O-CB 3.31Å; K248-Q252 VanDerWaalsContact O-CG 3.27Å; K248-Q252 WeakPolarHBondContact O-CG 3.37Å; K248-Q252 PolarHBondContact O-N 2.98Å
249	E	98.9	Very high	98.8	Very high	22 Å²	22	47.4 Å²	47.4	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-39	179.7	-169.4	77.5	-133.4	0	0	111.3	L245 L246 Q252 L253 L439 V442 R443 K446	L245-E249 WeakPolarHBondContact O-CB 3.33Å; L245-E249 PolarHBondContact O-N 2.66Å; L246-E249 PolarHBondContact O-N 2.9Å; E249-Q252 PolarHBondContact O-N 2.87Å; E249-L253 WeakPolarHBondContact O-CB 3.49Å; E249-L253 PolarHBondContact O-N 3.07Å; E249-L439 HydrophobicContact CB-CD1 3.68Å; E249-L439 HydrophobicContact CG-CD1 3.82Å; E249-V442 HydrophobicContact CG-CB 4.42Å; E249-V442 HydrophobicContact CG-CG1 3.68Å; E249-R443 HydrophobicContact CG-CG 4.43Å; E249-R443 IonicContact OE2-CZ 2.9Å; E249-R443 IonicContact OE2-NE 3.07Å; E249-R443 PolarHBondContact OE2-NE 2.98Å; E249-R443 VanDerWaalsContact OE2-NE 3.09Å; E249-R443 IonicContact OE2-NH2 3.79Å; E249-K446 IonicContact OE1-NZ 2.87Å; E249-K446 PolarHBondContact OE1-NZ 2.53Å
250	L	98.9	Very high	98.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-41.7	175.9	-69.6	168.9	0	0	0	111.9	L246 K248 Q252 L253 H254 A259 V261 L396 Y406 V442	L246-L250 HydrophobicContact CD1-CD1 4.2Å; L246-L250 HydrophobicContact CD1-CG 4.16Å; L246-L250 HydrophobicContact CG-CD1 3.87Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 VanDerWaalsContact O-CG 3.24Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.88Å; K248-L250 VanDerWaalsContact C-N 3.31Å; K248-L250 PolarHBondContact O-N 3.29Å; L250-Q252 VanDerWaalsContact C-N 3.29Å; L250-Q252 PolarHBondContact O-N 3.15Å; L250-L253 WeakPolarHBondContact O-CB 3.28Å; L250-L253 PolarHBondContact O-N 2.95Å; L250-H254 PolarHBondContact O-CD2 2.61Å; L250-H254 VanDerWaalsContact O-CD2 3.24Å; L250-H254 PolarHBondContact O-N 2.78Å; L250-H254 VanDerWaalsContact O-N 3.07Å; L250-A259 HydrophobicContact CB-CB 3.86Å; L250-V261 HydrophobicContact CD1-CG2 3.89Å; L250-L396 HydrophobicContact CD2-CD2 4.4Å; L250-Y406 HydrophobicContact CD1-CD1 3.74Å; L250-Y406 HydrophobicContact CD1-CD2 4.19Å; L250-Y406 HydrophobicContact CD1-CE1 4.32Å; L250-Y406 HydrophobicContact CD1-CG 3.67Å; L250-Y406 HydrophobicContact CD2-CD1 3.96Å; L250-Y406 HydrophobicContact CD2-CD2 4.44Å; L250-Y406 HydrophobicContact CD2-CE1 3.66Å; L250-Y406 HydrophobicContact CD2-CE2 4.2Å; L250-Y406 HydrophobicContact CD2-CG 4.35Å; L250-Y406 HydrophobicContact CG-CD1 4.47Å; L250-Y406 HydrophobicContact CG-CG 4.5Å; L250-V442 HydrophobicContact CD2-CG2 4.17Å
251	S	98.8	Very high	98.8	Very high	13 Å²	13	43.4 Å²	43.4	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-40	176.2	84	0	0	0	0	111.1	E247 K248 H254 Q255 K256	E247-S251 WeakPolarHBondContact O-CB 3.37Å; E247-S251 PolarHBondContact O-N 3.45Å; K248-S251 PolarHBondContact O-N 2.86Å; K248-S251 PolarHBondContact O-OG 3.23Å; K248-S251 VanDerWaalsContact O-OG 3.06Å; S251-H254 PolarHBondContact O-N 2.84Å; S251-Q255 PolarHBondContact O-N 2.92Å; S251-K256 CarbonylContact C-O 3.4Å; S251-K256 WeakPolarHBondContact CB-O 3.25Å; S251-K256 PolarHBondContact O-N 3.14Å
252	Q	98.8	Very high	98.8	Very high	102 Å²	102	38.5 Å²	38.5	48%	0.477	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-40.8	173.8	-71.6	176	-14.9	0	0	112.9	K248 E249 L250 H254 Q255	K248-Q252 WeakPolarHBondContact O-CB 3.31Å; K248-Q252 VanDerWaalsContact O-CG 3.27Å; K248-Q252 WeakPolarHBondContact O-CG 3.37Å; K248-Q252 PolarHBondContact O-N 2.98Å; E249-Q252 PolarHBondContact O-N 2.87Å; L250-Q252 VanDerWaalsContact C-N 3.29Å; L250-Q252 PolarHBondContact O-N 3.15Å; Q252-H254 VanDerWaalsContact C-N 3.26Å; Q252-H254 PolarHBondContact O-N 2.96Å; Q252-Q255 PolarHBondContact O-N 2.87Å
253	L	98.8	Very high	98.8	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-43.6	175.6	176.4	66.4	0	0	0	110.9	E249 L250 H375 A377 M386 F400 V442 K446	E249-L253 WeakPolarHBondContact O-CB 3.49Å; E249-L253 PolarHBondContact O-N 3.07Å; L250-L253 WeakPolarHBondContact O-CB 3.28Å; L250-L253 PolarHBondContact O-N 2.95Å; L253-H375 HydrophobicContact CD1-CB 4.34Å; L253-A377 HydrophobicContact CD1-CB 3.68Å; L253-A377 HydrophobicContact CG-CB 3.8Å; L253-A377 VanDerWaalsContact O-CB 3.28Å; L253-A377 WeakPolarHBondContact O-CB 3.48Å; L253-M386 VanDerWaalsContact O-CE 3.31Å; L253-M386 WeakPolarHBondContact O-CE 3.37Å; L253-F400 HydrophobicContact CD2-CZ 4.09Å; L253-V442 HydrophobicContact CD2-CG1 4.31Å; L253-K446 HydrophobicContact CD1-CD 3.94Å; L253-K446 HydrophobicContact CD1-CG 3.7Å
254	H	98.8	Very high	98.8	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.014	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.9	-176.4	-70.3	-69.4	0	0	0	114.7	L250 S251 Q252 K256 A377 M386 Y406 A408	L250-H254 PolarHBondContact O-CD2 2.61Å; L250-H254 VanDerWaalsContact O-CD2 3.24Å; L250-H254 PolarHBondContact O-N 2.78Å; L250-H254 VanDerWaalsContact O-N 3.07Å; S251-H254 PolarHBondContact O-N 2.84Å; Q252-H254 VanDerWaalsContact C-N 3.26Å; Q252-H254 PolarHBondContact O-N 2.96Å; H254-K256 HydrophobicContact CB-CG 3.95Å; H254-K256 WeakPolarHBondContact O-CG 3.34Å; H254-K256 PolarHBondContact O-N 2.96Å; H254-A377 PolarHBondContact CE1-O 2.77Å; H254-M386 VanDerWaalsContact CA-CE 3.4Å; H254-M386 HydrophobicContact CB-CE 4.49Å; H254-M386 WeakPolarHBondContact O-CE 3.24Å; H254-Y406 AromaticContact CD2-CE2 3.71Å; H254-Y406 AromaticContact NE2-CE2 3.48Å; H254-Y406 WeakPolarHBondContact NE2-CE2 3.49Å; H254-Y406 AromaticContact NE2-CZ 3.56Å; H254-Y406 PolarHBondContact NE2-OH 3.01Å; H254-A408 HydrophobicContact CB-CB 3.93Å
255	Q	98.6	Very high	98.8	Very high	152 Å²	152	37.4 Å²	37.4	71%	0.71	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	45	-173	-54.9	-177	25.2	0	0	112.4	S251 Q252 M386	S251-Q255 PolarHBondContact O-N 2.92Å; Q252-Q255 PolarHBondContact O-N 2.87Å; Q255-M386 HydrophobicContact CB-CE 4.49Å; Q255-M386 HydrophobicContact CG-CE 4.22Å
256	K	98.8	Very high	98.8	Very high	34 Å²	34	39 Å²	39	15%	0.148	20%	0.199	C	C	.	.			trans	-116.6	156.6	177.6	-60.3	-59.1	169.1	-173.1	0	111	S251 H254 G258 M386 I389 A408	S251-K256 CarbonylContact C-O 3.4Å; S251-K256 WeakPolarHBondContact CB-O 3.25Å; S251-K256 PolarHBondContact O-N 3.14Å; H254-K256 HydrophobicContact CB-CG 3.95Å; H254-K256 WeakPolarHBondContact O-CG 3.34Å; H254-K256 PolarHBondContact O-N 2.96Å; K256-G258 VanDerWaalsContact C-N 3.28Å; K256-G258 PolarHBondContact O-N 2.89Å; K256-M386 PolarHBondContact NZ-O 3.37Å; K256-I389 VanDerWaalsContact CE-O 3.28Å; K256-I389 WeakPolarHBondContact CE-O 3.49Å; K256-I389 PolarHBondContact NZ-O 3.08Å; K256-A408 HydrophobicContact CB-CB 4.15Å; K256-A408 HydrophobicContact CG-CB 4.06Å
257	D	98.8	Very high	98.8	Very high	121 Å²	121	40.5 Å²	40.5	65%	0.647	21%	0.209	S	C	*	.	S	Bend	trans	-63.9	-34.5	-177.5	-56.4	-19.8	0	0	0	112.5	S409 S410 A411	D257-S409 PolarHBondContact N-O 3.28Å; D257-S410 WeakPolarHBondContact OD2-CA 3.4Å; D257-A411 HydrophobicContact CB-CB 3.89Å; D257-A411 PolarHBondContact OD2-N 3.28Å
258	G	98.6	Very high	98.8	Very high	14 Å²	14	39.3 Å²	39.3	14%	0.144	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162	-179.9	0	0	0	0	0	113.3	K256 A408 S409	K256-G258 VanDerWaalsContact C-N 3.28Å; K256-G258 PolarHBondContact O-N 2.89Å; G258-A408 WeakPolarHBondContact O-CA 3.19Å; G258-S409 PolarHBondContact N-O 2.95Å; G258-S409 VanDerWaalsContact N-O 3.12Å; G258-S409 PolarHBondContact O-N 3.07Å
259	A	98.9	Very high	98.8	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.9	168.4	0	0	0	0	0	110.5	E247 L250 I407 A408	E247-A259 WeakPolarHBondContact O-CB 3.49Å; L250-A259 HydrophobicContact CB-CB 3.86Å; A259-I407 CarbonylContact C-O 3.6Å; A259-I407 WeakPolarHBondContact CA-O 3.32Å; A259-I407 VanDerWaalsContact CB-O 3.29Å; A259-I407 WeakPolarHBondContact CB-O 3.47Å; A259-A408 HydrophobicContact CB-CB 4.03Å
260	L	98.9	Very high	98.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.9	-177.8	-167.7	67	0	0	0	110.5	F262 Y406 I407 V414 V417 R418 F424	L260-F262 HydrophobicContact CB-CE2 4.12Å; L260-F262 HydrophobicContact CD2-CE2 3.85Å; L260-F262 HydrophobicContact CD2-CZ 3.79Å; L260-F262 HydrophobicContact CG-CE2 3.99Å; L260-F262 HydrophobicContact CG-CZ 4.38Å; L260-F262 WeakPolarHBondContact O-CD2 3.41Å; L260-Y406 CarbonylContact O-C 3.47Å; L260-Y406 WeakPolarHBondContact O-CA 3.24Å; L260-Y406 VanDerWaalsContact O-CB 3.32Å; L260-Y406 WeakPolarHBondContact O-CB 3.45Å; L260-I407 HydrophobicContact CB-CG1 4.04Å; L260-I407 PolarHBondContact N-O 3.29Å; L260-I407 PolarHBondContact O-N 3.36Å; L260-V414 HydrophobicContact CB-CG1 4.07Å; L260-V417 HydrophobicContact CD2-CB 4.29Å; L260-V417 HydrophobicContact CD2-CG1 3.99Å; L260-R418 HydrophobicContact CD1-CB 3.94Å; L260-R418 HydrophobicContact CD1-CG 3.97Å; L260-R418 HydrophobicContact CD2-CB 3.87Å; L260-F424 HydrophobicContact CD1-CD2 4.26Å; L260-F424 HydrophobicContact CD1-CE1 4.36Å; L260-F424 HydrophobicContact CD1-CE2 3.46Å; L260-F424 VanDerWaalsContact CD1-CE2 3.46Å; L260-F424 HydrophobicContact CD1-CZ 3.53Å; L260-F424 HydrophobicContact CD2-CD2 4Å; L260-F424 HydrophobicContact CD2-CE2 4.04Å; L260-F424 HydrophobicContact CD2-CG 4.33Å; L260-F424 HydrophobicContact CD2-CZ 4.43Å; L260-F424 HydrophobicContact CG-CD2 3.99Å; L260-F424 HydrophobicContact CG-CE2 3.64Å; L260-F424 HydrophobicContact CG-CZ 4.18Å
261	V	98.9	Very high	98.8	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.1	-177.5	172.8	0	0	0	0	111.6	L246 E247 L250 G405 F424 L430 L435	L246-V261 HydrophobicContact CD2-CG2 4.17Å; L246-V261 HydrophobicContact CG-CG2 4.38Å; E247-V261 HydrophobicContact CG-CB 4.24Å; E247-V261 HydrophobicContact CG-CG2 3.69Å; E247-V261 PolarHBondContact OE1-N 3.44Å; L250-V261 HydrophobicContact CD1-CG2 3.89Å; V261-G405 CarbonylContact C-O 3.45Å; V261-G405 WeakPolarHBondContact CA-O 3.33Å; V261-F424 WeakPolarHBondContact O-CE2 3.27Å; V261-L430 HydrophobicContact CG1-CD1 3.78Å; V261-L435 HydrophobicContact CG1-CD2 4.12Å
262	F	98.9	Very high	98.8	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.022	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	166.9	177.8	-65.7	-102.8	0	0	0	111.1	L260 S264 V267 A268 G405 I407 V417 F424 L430	L260-F262 HydrophobicContact CB-CE2 4.12Å; L260-F262 HydrophobicContact CD2-CE2 3.85Å; L260-F262 HydrophobicContact CD2-CZ 3.79Å; L260-F262 HydrophobicContact CG-CE2 3.99Å; L260-F262 HydrophobicContact CG-CZ 4.38Å; L260-F262 WeakPolarHBondContact O-CD2 3.41Å; F262-S264 VanDerWaalsContact C-N 3.27Å; F262-S264 PolarHBondContact O-N 2.77Å; F262-V267 HydrophobicContact CD1-CG1 4.05Å; F262-A268 HydrophobicContact CB-CB 4.02Å; F262-A268 HydrophobicContact CD2-CB 3.63Å; F262-A268 HydrophobicContact CE2-CB 4.17Å; F262-A268 HydrophobicContact CG-CB 3.84Å; F262-G405 PolarHBondContact N-O 3.46Å; F262-G405 PolarHBondContact O-N 2.96Å; F262-I407 HydrophobicContact CE2-CG1 4.22Å; F262-I407 HydrophobicContact CE2-CG2 4.45Å; F262-V417 HydrophobicContact CZ-CG1 3.75Å; F262-F424 HydrophobicContact CD1-CB 4.09Å; F262-F424 HydrophobicContact CD1-CD2 4.25Å; F262-F424 HydrophobicContact CE1-CB 3.64Å; F262-F424 HydrophobicContact CE1-CD2 4.17Å; F262-F424 HydrophobicContact CE1-CG 4.33Å; F262-F424 HydrophobicContact CZ-CB 4.36Å; F262-F424 HydrophobicContact CZ-CD2 4.43Å; F262-L430 WeakPolarHBondContact O-CD1 3.07Å
263	S	98.8	Very high	98.8	Very high	43 Å²	43	29.2 Å²	29.2	30%	0.301	16%	0.159	S	C	.	.	S	Bend	trans	-59.8	-32.3	178.4	57.1	0	0	0	0	114.1	V267 G404	S263-V267 WeakPolarHBondContact OG-CG2 3.48Å; S263-G404 WeakPolarHBondContact O-CA 3.42Å
264	S	98.8	Very high	98.8	Very high	39 Å²	39	32.6 Å²	32.6	27%	0.273	17%	0.173	S	C	.	.			trans	-158.1	165.5	173.6	67.4	0	0	0	0	110.1	F262 F266 V267 A268 G405	F262-S264 VanDerWaalsContact C-N 3.27Å; F262-S264 PolarHBondContact O-N 2.77Å; S264-F266 PolarHBondContact O-N 2.89Å; S264-F266 PolarHBondContact OG-N 3.42Å; S264-V267 PolarHBondContact O-N 3.21Å; S264-V267 PolarHBondContact OG-N 2.69Å; S264-A268 PolarHBondContact O-N 3.02Å; S264-G405 VanDerWaalsContact C-CA 3.46Å
265	C	98.6	Very high	98.8	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.054	17%	0.174	C	C	.	.	H	α-helix	trans	-71	-22.2	174.3	-158	0	0	0	0	112.4	V267 A268 N269 V366 G394	C265-V267 VanDerWaalsContact C-N 3.3Å; C265-V267 PolarHBondContact O-N 3.47Å; C265-A268 PolarHBondContact O-N 3.48Å; C265-N269 VanDerWaalsContact O-CB 3.31Å; C265-N269 WeakPolarHBondContact O-CB 3.28Å; C265-N269 VanDerWaalsContact O-CG 3.27Å; C265-N269 PolarHBondContact O-N 3.01Å; C265-N269 PolarHBondContact O-ND2 3.32Å; C265-V366 HydrophobicContact CB-CG2 3.77Å; C265-V366 WeakPolarHBondContact SG-CG2 3.3Å; C265-G394 PolarHBondContact SG-O 3.08Å
266	F	98.6	Very high	98.8	Very high	93 Å²	93	26 Å²	26	41%	0.408	14%	0.143	S	C	.	.	H	α-helix	trans	-56.8	-50.1	168.6	-174	-72.7	0	0	0	110.1	S264 D270 Q297	S264-F266 PolarHBondContact O-N 2.89Å; S264-F266 PolarHBondContact OG-N 3.42Å; F266-D270 HydrophobicContact CE1-CB 4.42Å; F266-D270 VanDerWaalsContact O-CB 3.29Å; F266-D270 WeakPolarHBondContact O-CB 3.46Å; F266-D270 PolarHBondContact O-N 3.46Å; F266-Q297 HydrophobicContact CZ-CB 4.48Å
267	V	98.8	Very high	98.7	Very high	32 Å²	32	24.7 Å²	24.7	19%	0.194	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-37.4	179.6	178.3	0	0	0	0	111.5	F262 S263 S264 C265 S271	F262-V267 HydrophobicContact CD1-CG1 4.05Å; S263-V267 WeakPolarHBondContact OG-CG2 3.48Å; S264-V267 PolarHBondContact O-N 3.21Å; S264-V267 PolarHBondContact OG-N 2.69Å; C265-V267 VanDerWaalsContact C-N 3.3Å; C265-V267 PolarHBondContact O-N 3.47Å; V267-S271 WeakPolarHBondContact O-CB 3.28Å; V267-S271 PolarHBondContact O-N 3.46Å; V267-S271 PolarHBondContact O-OG 2.97Å
268	A	98.8	Very high	98.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-48.7	175.8	0	0	0	0	0	111.5	F262 S264 C265 T272 I407	F262-A268 HydrophobicContact CB-CB 4.02Å; F262-A268 HydrophobicContact CD2-CB 3.63Å; F262-A268 HydrophobicContact CE2-CB 4.17Å; F262-A268 HydrophobicContact CG-CB 3.84Å; S264-A268 PolarHBondContact O-N 3.02Å; C265-A268 PolarHBondContact O-N 3.48Å; A268-T272 WeakPolarHBondContact O-CB 3.34Å; A268-T272 PolarHBondContact O-N 2.94Å; A268-T272 PolarHBondContact O-OG1 3.42Å; A268-I407 HydrophobicContact CB-CG2 4.36Å
269	N	98.8	Very high	98.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-55.5	177.9	-73.6	-14.8	0	0	0	111.6	C265 S271 T272 L273 S294 M295 F362 D364 S393	C265-N269 VanDerWaalsContact O-CB 3.31Å; C265-N269 WeakPolarHBondContact O-CB 3.28Å; C265-N269 VanDerWaalsContact O-CG 3.27Å; C265-N269 PolarHBondContact O-N 3.01Å; C265-N269 PolarHBondContact O-ND2 3.32Å; N269-S271 PolarHBondContact O-N 2.97Å; N269-T272 PolarHBondContact O-N 2.98Å; N269-L273 WeakPolarHBondContact O-CB 3.49Å; N269-L273 PolarHBondContact O-N 2.95Å; N269-S294 WeakPolarHBondContact CB-OG 3.48Å; N269-S294 PolarHBondContact ND2-OG 2.63Å; N269-M295 HydrophobicContact CB-CG 3.95Å; N269-F362 HydrophobicContact CB-CZ 4.45Å; N269-F362 VanDerWaalsContact OD1-CZ 3.3Å; N269-F362 WeakPolarHBondContact OD1-CZ 3.29Å; N269-D364 PolarHBondContact ND2-OD2 2.99Å; N269-S393 WeakPolarHBondContact OD1-CB 3.41Å; N269-S393 PolarHBondContact OD1-OG 2.92Å
270	D	98.6	Very high	98.6	Very high	37 Å²	37	31 Å²	31	20%	0.198	16%	0.16	C	C	.	.	H	α-helix	trans	-56.3	-52.8	-179.2	176.6	45.5	0	0	0	111	F266 T272 F274 S294 G298	F266-D270 HydrophobicContact CE1-CB 4.42Å; F266-D270 VanDerWaalsContact O-CB 3.29Å; F266-D270 WeakPolarHBondContact O-CB 3.46Å; F266-D270 PolarHBondContact O-N 3.46Å; D270-T272 PolarHBondContact O-N 3.41Å; D270-F274 WeakPolarHBondContact O-CB 3.39Å; D270-F274 PolarHBondContact O-N 2.9Å; D270-S294 WeakPolarHBondContact CA-O 3.29Å; D270-G298 WeakPolarHBondContact O-CA 3.14Å; D270-G298 WeakPolarHBondContact OD1-CA 3.47Å; D270-G298 PolarHBondContact OD1-N 3.39Å; D270-G298 VanDerWaalsContact OD1-N 3.08Å
271	S	98.8	Very high	98.5	Very high	8 Å²	8	35.9 Å²	35.9	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-41.2	-175.8	-57.3	0	0	0	0	112.6	V267 N269 T275	V267-S271 WeakPolarHBondContact O-CB 3.28Å; V267-S271 PolarHBondContact O-N 3.46Å; V267-S271 PolarHBondContact O-OG 2.97Å; N269-S271 PolarHBondContact O-N 2.97Å; S271-T275 WeakPolarHBondContact O-CB 3.5Å; S271-T275 PolarHBondContact O-N 3.25Å; S271-T275 PolarHBondContact O-OG1 3.3Å
272	T	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-71.1	-51	-176.9	-57.1	0	0	0	0	110.9	A268 N269 D270 F274 T275 L276 F362 I407 V417	A268-T272 WeakPolarHBondContact O-CB 3.34Å; A268-T272 PolarHBondContact O-N 2.94Å; A268-T272 PolarHBondContact O-OG1 3.42Å; N269-T272 PolarHBondContact O-N 2.98Å; D270-T272 PolarHBondContact O-N 3.41Å; T272-F274 PolarHBondContact O-N 3.23Å; T272-T275 PolarHBondContact O-N 3.17Å; T272-L276 HydrophobicContact CG2-CD1 3.77Å; T272-L276 HydrophobicContact CG2-CG 4.34Å; T272-L276 WeakPolarHBondContact O-CB 3.47Å; T272-L276 WeakPolarHBondContact O-CG 3.17Å; T272-L276 PolarHBondContact O-N 3.37Å; T272-F362 HydrophobicContact CG2-CD2 4.32Å; T272-F362 HydrophobicContact CG2-CE2 3.75Å; T272-I407 HydrophobicContact CG2-CD1 3.95Å; T272-I407 HydrophobicContact CG2-CG2 4.31Å; T272-I407 WeakPolarHBondContact OG1-CG2 3.47Å; T272-V417 HydrophobicContact CG2-CG2 3.97Å
273	L	98.8	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-44.7	178.7	-75	163.4	0	0	0	111	N269 T275 A277 M295 I299 I331 A333 F362	N269-L273 WeakPolarHBondContact O-CB 3.49Å; N269-L273 PolarHBondContact O-N 2.95Å; L273-T275 PolarHBondContact O-N 3.15Å; L273-A277 WeakPolarHBondContact O-CB 3.28Å; L273-A277 PolarHBondContact O-N 2.74Å; L273-M295 HydrophobicContact CD1-CB 3.64Å; L273-M295 HydrophobicContact CD1-CG 3.7Å; L273-M295 HydrophobicContact CD1-SD 4.49Å; L273-I299 HydrophobicContact CB-CG1 4.31Å; L273-I299 HydrophobicContact CD1-CD1 4.31Å; L273-I299 HydrophobicContact CD1-CG1 4.17Å; L273-I299 HydrophobicContact CD2-CG1 4.4Å; L273-I331 HydrophobicContact CD2-CG2 4.3Å; L273-A333 HydrophobicContact CD2-CB 4.21Å; L273-F362 HydrophobicContact CD1-CD1 4.09Å; L273-F362 HydrophobicContact CD1-CE1 3.89Å; L273-F362 HydrophobicContact CD1-CZ 4.17Å; L273-F362 HydrophobicContact CD2-CB 4.13Å; L273-F362 HydrophobicContact CD2-CD1 4.05Å; L273-F362 HydrophobicContact CD2-CD2 3.91Å; L273-F362 HydrophobicContact CD2-CE2 4.38Å; L273-F362 HydrophobicContact CD2-CG 3.74Å; L273-F362 HydrophobicContact CG-CD1 4.2Å; L273-F362 HydrophobicContact CG-CD2 4.09Å; L273-F362 HydrophobicContact CG-CE1 4.17Å; L273-F362 HydrophobicContact CG-CE2 4.04Å; L273-F362 HydrophobicContact CG-CG 4.19Å; L273-F362 HydrophobicContact CG-CZ 4.08Å
274	F	98.8	Very high	98.4	Very high	76 Å²	76	37.1 Å²	37.1	33%	0.333	21%	0.209	S	C	.	.	H	α-helix	trans	-57.4	-51.4	175.5	174.5	-92.3	0	0	0	111.8	D270 T272 K278 N301	D270-F274 WeakPolarHBondContact O-CB 3.39Å; D270-F274 PolarHBondContact O-N 2.9Å; T272-F274 PolarHBondContact O-N 3.23Å; F274-K278 WeakPolarHBondContact O-CB 3.46Å; F274-K278 PolarHBondContact O-N 3.36Å; F274-N301 HydrophobicContact CD2-CB 3.74Å; F274-N301 HydrophobicContact CE2-CB 4.05Å; F274-N301 WeakPolarHBondContact CE2-O 3.23Å
275	T	98.8	Very high	98.3	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-49.5	-174.3	-59.3	0	0	0	0	110.9	S271 T272 L273 K278 M279 F420 A421	S271-T275 WeakPolarHBondContact O-CB 3.5Å; S271-T275 PolarHBondContact O-N 3.25Å; S271-T275 PolarHBondContact O-OG1 3.3Å; T272-T275 PolarHBondContact O-N 3.17Å; L273-T275 PolarHBondContact O-N 3.15Å; T275-K278 PolarHBondContact O-N 3.15Å; T275-M279 HydrophobicContact CG2-CG 4.38Å; T275-M279 HydrophobicContact CG2-SD 3.56Å; T275-M279 VanDerWaalsContact CG2-SD 3.56Å; T275-M279 VanDerWaalsContact O-CB 3.29Å; T275-M279 WeakPolarHBondContact O-CB 3.33Å; T275-M279 WeakPolarHBondContact O-CG 3.07Å; T275-M279 PolarHBondContact O-N 2.98Å; T275-F420 HydrophobicContact CG2-CB 3.78Å; T275-A421 WeakPolarHBondContact OG1-CA 3.47Å
276	L	98.6	Very high	98.4	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.063	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-48.7	-179.4	-65.5	176.3	0	0	0	111.4	T272 K278 M279 L280 I331 I391 L413 V417	T272-L276 HydrophobicContact CG2-CD1 3.77Å; T272-L276 HydrophobicContact CG2-CG 4.34Å; T272-L276 WeakPolarHBondContact O-CB 3.47Å; T272-L276 WeakPolarHBondContact O-CG 3.17Å; T272-L276 PolarHBondContact O-N 3.37Å; L276-K278 VanDerWaalsContact C-N 3.25Å; L276-K278 PolarHBondContact O-N 3.28Å; L276-M279 PolarHBondContact O-N 3.01Å; L276-L280 WeakPolarHBondContact O-CB 3.13Å; L276-L280 WeakPolarHBondContact O-CG 3.34Å; L276-L280 PolarHBondContact O-N 3.43Å; L276-I331 HydrophobicContact CB-CD1 3.8Å; L276-I331 HydrophobicContact CD1-CD1 4.39Å; L276-I391 HydrophobicContact CD1-CD1 3.56Å; L276-L413 HydrophobicContact CD1-CD1 4.29Å; L276-L413 HydrophobicContact CD1-CD2 4.36Å; L276-L413 HydrophobicContact CD2-CG 4.29Å; L276-V417 HydrophobicContact CD2-CG2 4.29Å; L276-V417 HydrophobicContact CG-CG2 4.43Å
277	A	98	Very high	98.3	Very high	6 Å²	6	30.8 Å²	30.8	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-33.7	-179.7	0	0	0	0	0	112.5	L273 C283 I285 A304	L273-A277 WeakPolarHBondContact O-CB 3.28Å; L273-A277 PolarHBondContact O-N 2.74Å; A277-C283 WeakPolarHBondContact O-CB 3.19Å; A277-I285 HydrophobicContact CB-CD1 3.79Å; A277-I285 HydrophobicContact CB-CG1 4.17Å; A277-A304 HydrophobicContact CB-CB 3.98Å
278	K	97.4	Very high	98.3	Very high	133 Å²	133	29.4 Å²	29.4	58%	0.578	17%	0.168	S	C	*	.	H	α-helix	trans	-77.2	-34.7	178.1	-166.6	59.7	165.6	-172.4	0	113.3	F274 T275 L276 S302	F274-K278 WeakPolarHBondContact O-CB 3.46Å; F274-K278 PolarHBondContact O-N 3.36Å; T275-K278 PolarHBondContact O-N 3.15Å; L276-K278 VanDerWaalsContact C-N 3.25Å; L276-K278 PolarHBondContact O-N 3.28Å; K278-S302 WeakPolarHBondContact CD-O 3.46Å; K278-S302 PolarHBondContact NZ-O 3.22Å; K278-S302 VanDerWaalsContact NZ-O 3.15Å
279	M	97.4	Very high	97.9	Very high	88 Å²	88	35.2 Å²	35.2	43%	0.433	20%	0.197	S	C	.	.	H	α-helix	trans	-84	-34.5	-176	-72.4	-178.7	70.2	0	0	113.2	T275 L276 T416 F420	T275-M279 HydrophobicContact CG2-CG 4.38Å; T275-M279 HydrophobicContact CG2-SD 3.56Å; T275-M279 VanDerWaalsContact CG2-SD 3.56Å; T275-M279 VanDerWaalsContact O-CB 3.29Å; T275-M279 WeakPolarHBondContact O-CB 3.33Å; T275-M279 WeakPolarHBondContact O-CG 3.07Å; T275-M279 PolarHBondContact O-N 2.98Å; L276-M279 PolarHBondContact O-N 3.01Å; M279-T416 HydrophobicContact CE-CG2 3.82Å; M279-T416 HydrophobicContact SD-CG2 4Å; M279-F420 HydrophobicContact CE-CB 4.36Å; M279-F420 HydrophobicContact CE-CD1 4.05Å; M279-F420 HydrophobicContact CE-CD2 3.6Å; M279-F420 HydrophobicContact CE-CE1 4.24Å; M279-F420 HydrophobicContact CE-CE2 3.83Å; M279-F420 HydrophobicContact CE-CG 3.74Å; M279-F420 HydrophobicContact CE-CZ 4.15Å; M279-F420 HydrophobicContact SD-CB 3.65Å; M279-F420 HydrophobicContact SD-CD1 4.26Å; M279-F420 HydrophobicContact SD-CD2 3.99Å; M279-F420 HydrophobicContact SD-CG 3.7Å
280	L	98.3	Very high	97.3	Very high	55 Å²	55	36.1 Å²	36.1	29%	0.288	21%	0.206	S	C	.	.	S	Bend	trans	-72.7	125.5	179.8	-71.4	172	0	0	0	110.2	L276 G282 C283 P329 I331	L276-L280 WeakPolarHBondContact O-CB 3.13Å; L276-L280 WeakPolarHBondContact O-CG 3.34Å; L276-L280 PolarHBondContact O-N 3.43Å; L280-G282 PolarHBondContact O-N 3.43Å; L280-C283 HydrophobicContact CB-CB 3.77Å; L280-C283 WeakPolarHBondContact O-CB 3.35Å; L280-C283 PolarHBondContact O-N 3.01Å; L280-P329 HydrophobicContact CB-CB 3.96Å; L280-P329 HydrophobicContact CB-CG 4.37Å; L280-P329 HydrophobicContact CD1-CB 4.22Å; L280-P329 HydrophobicContact CD2-CB 4.33Å; L280-P329 HydrophobicContact CG-CB 4.41Å; L280-I331 HydrophobicContact CD1-CD1 4.27Å
281	P	97.8	Very high	97	Very high	103 Å²	103	34.7 Å²	34.7	67%	0.669	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	118.2	-172.6	25.9	-33.9	0	0	0	111.1	C283 P329	P281-C283 VanDerWaalsContact C-N 3.28Å; P281-C283 PolarHBondContact O-N 3.27Å; P281-P329 HydrophobicContact CG-CG 4.32Å; P281-P329 VanDerWaalsContact O-CD 3.23Å; P281-P329 WeakPolarHBondContact O-CD 3.39Å
282	G	96.3	Very high	96.8	Very high	63 Å²	63	37.8 Å²	37.8	65%	0.649	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	24	179	0	0	0	0	0	114.3	L280 E284 T328	L280-G282 PolarHBondContact O-N 3.43Å; G282-E284 PolarHBondContact O-N 3.09Å; G282-T328 VanDerWaalsContact O-CG2 3.25Å; G282-T328 WeakPolarHBondContact O-CG2 3.45Å
283	C	98.4	Very high	96.1	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.034	24%	0.236	C	C	.	.			trans	-52.6	134.1	-173.4	-167.5	0	0	0	0	113.3	A277 L280 P281 P329	A277-C283 WeakPolarHBondContact O-CB 3.19Å; L280-C283 HydrophobicContact CB-CB 3.77Å; L280-C283 WeakPolarHBondContact O-CB 3.35Å; L280-C283 PolarHBondContact O-N 3.01Å; P281-C283 VanDerWaalsContact C-N 3.28Å; P281-C283 PolarHBondContact O-N 3.27Å; C283-P329 VanDerWaalsContact CA-O 3.31Å; C283-P329 WeakPolarHBondContact CA-O 3.45Å
284	E	98.6	Very high	95.9	Very high	14 Å²	14	40.7 Å²	40.7	7%	0.065	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.5	170.9	-65.7	-172.9	148.6	0	0	110.4	G282 Y286 K305 F307 S324 T328 P329 K330 I331	G282-E284 PolarHBondContact O-N 3.09Å; E284-Y286 HydrophobicContact CB-CE2 3.88Å; E284-Y286 PolarHBondContact OE2-OH 2.88Å; E284-K305 WeakPolarHBondContact CA-O 3.47Å; E284-K305 HydrophobicContact CG-CB 4.34Å; E284-K305 HydrophobicContact CG-CD 4.26Å; E284-K305 WeakPolarHBondContact OE1-CD 3.36Å; E284-K305 IonicContact OE1-NZ 2.71Å; E284-K305 PolarHBondContact OE1-NZ 3.27Å; E284-F307 HydrophobicContact CB-CE2 4.04Å; E284-F307 HydrophobicContact CG-CE2 4.03Å; E284-S324 WeakPolarHBondContact OE2-CB 3.24Å; E284-S324 PolarHBondContact OE2-OG 2.85Å; E284-T328 HydrophobicContact CG-CG2 3.86Å; E284-P329 PolarHBondContact N-O 3.46Å; E284-K330 HydrophobicContact CB-CG 4.47Å; E284-K330 CarbonylContact O-C 3.52Å; E284-K330 VanDerWaalsContact O-CA 3.22Å; E284-K330 WeakPolarHBondContact O-CA 3.25Å; E284-I331 PolarHBondContact O-N 2.9Å
285	I	98.4	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.6	178.5	-52.2	-61.9	0	0	0	109.9	A277 I299 A304 K305 R306 F307 I331	A277-I285 HydrophobicContact CB-CD1 3.79Å; A277-I285 HydrophobicContact CB-CG1 4.17Å; I285-I299 HydrophobicContact CB-CG2 4.08Å; I285-I299 HydrophobicContact CG1-CG2 4.29Å; I285-I299 HydrophobicContact CG2-CD1 3.7Å; I285-I299 HydrophobicContact CG2-CG1 3.86Å; I285-I299 HydrophobicContact CG2-CG2 3.86Å; I285-A304 HydrophobicContact CG1-CB 3.98Å; I285-K305 PolarHBondContact N-O 3.11Å; I285-R306 CarbonylContact O-C 3.52Å; I285-R306 VanDerWaalsContact O-CA 3.26Å; I285-R306 WeakPolarHBondContact O-CA 3.26Å; I285-F307 PolarHBondContact O-N 3.33Å; I285-I331 CarbonylContact C-O 3.59Å; I285-I331 WeakPolarHBondContact CA-O 3.48Å; I285-I331 HydrophobicContact CD1-CB 3.74Å; I285-I331 HydrophobicContact CD1-CD1 3.91Å; I285-I331 HydrophobicContact CD1-CG1 4.11Å
286	Y	98.6	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	107	174	-63.9	-99.8	0	0	0	107.5	E284 F307 L317 L320 L321 S324 K330 I331 V332 A333	E284-Y286 HydrophobicContact CB-CE2 3.88Å; E284-Y286 PolarHBondContact OE2-OH 2.88Å; Y286-F307 CarbonylContact C-O 3.58Å; Y286-F307 WeakPolarHBondContact CA-O 3.41Å; Y286-F307 HydrophobicContact CD1-CB 3.84Å; Y286-F307 HydrophobicContact CD1-CD2 4.22Å; Y286-F307 HydrophobicContact CD1-CG 4.31Å; Y286-F307 HydrophobicContact CE1-CB 4.02Å; Y286-F307 AromaticContact CE1-CD2 3.79Å; Y286-F307 HydrophobicContact CE1-CD2 3.79Å; Y286-F307 HydrophobicContact CE1-CE2 4.37Å; Y286-F307 HydrophobicContact CE1-CG 4Å; Y286-F307 HydrophobicContact CE2-CD2 4.18Å; Y286-F307 HydrophobicContact CE2-CE2 4.49Å; Y286-F307 HydrophobicContact CG-CB 4.5Å; Y286-F307 AromaticContact CZ-CD2 3.78Å; Y286-L317 HydrophobicContact CD1-CD1 4.16Å; Y286-L317 HydrophobicContact CG-CD1 4.27Å; Y286-L320 HydrophobicContact CD1-CB 4.03Å; Y286-L320 HydrophobicContact CE1-CB 3.8Å; Y286-L321 HydrophobicContact CD1-CD2 4.05Å; Y286-L321 HydrophobicContact CD1-CG 4.01Å; Y286-L321 HydrophobicContact CD2-CD2 3.77Å; Y286-L321 HydrophobicContact CE1-CD2 3.76Å; Y286-L321 HydrophobicContact CE1-CG 3.85Å; Y286-L321 HydrophobicContact CE2-CD2 3.48Å; Y286-L321 VanDerWaalsContact CE2-CD2 3.48Å; Y286-L321 HydrophobicContact CE2-CG 4.45Å; Y286-L321 HydrophobicContact CG-CD2 4.04Å; Y286-L321 HydrophobicContact CG-CG 4.36Å; Y286-L321 VanDerWaalsContact CZ-CD2 3.46Å; Y286-S324 WeakPolarHBondContact OH-CB 3.16Å; Y286-K330 HydrophobicContact CD2-CB 4.33Å; Y286-K330 HydrophobicContact CE2-CB 4.04Å; Y286-K330 HydrophobicContact CE2-CD 3.94Å; Y286-K330 HydrophobicContact CE2-CG 4.22Å; Y286-I331 PolarHBondContact N-O 2.95Å; Y286-V332 CarbonylContact O-C 3.09Å; Y286-V332 VanDerWaalsContact O-CA 3.32Å; Y286-V332 WeakPolarHBondContact O-CA 3.41Å; Y286-A333 PolarHBondContact O-N 3.49Å
287	S	98	Very high	95.1	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.7	-172.7	177.2	0	0	0	0	109.9	N291 F307 I308 F309	S287-N291 PolarHBondContact OG-ND2 3.11Å; S287-F307 PolarHBondContact N-O 3.21Å; S287-I308 WeakPolarHBondContact O-CA 3.05Å; S287-F309 VanDerWaalsContact C-CD1 3.47Å; S287-F309 WeakPolarHBondContact O-CD1 3.45Å; S287-F309 PolarHBondContact O-N 3.37Å; S287-F309 VanDerWaalsContact O-N 3.08Å
288	D	97.8	Very high	94.8	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	140.7	166.6	-171.7	-74.9	0	0	0	109.7	G290 N291 F309 H311 N312 A333 F334	D288-G290 PolarHBondContact O-N 3.33Å; D288-G290 WeakPolarHBondContact OD1-CA 3.38Å; D288-G290 PolarHBondContact OD1-N 3.11Å; D288-N291 PolarHBondContact N-ND2 3.12Å; D288-N291 WeakPolarHBondContact O-CB 3.45Å; D288-N291 PolarHBondContact O-N 3.02Å; D288-N291 PolarHBondContact O-ND2 3.28Å; D288-F309 HydrophobicContact CB-CE1 4.06Å; D288-F309 HydrophobicContact CB-CE2 3.85Å; D288-F309 HydrophobicContact CB-CZ 3.52Å; D288-F309 WeakPolarHBondContact OD2-CE2 3.39Å; D288-H311 IonicContact OD1-CE1 2.81Å; D288-H311 IonicContact OD1-CG 3.64Å; D288-H311 IonicContact OD1-ND1 3.88Å; D288-H311 PolarHBondContact OD1-ND1 2.87Å; D288-H311 WeakPolarHBondContact OD2-CA 3.4Å; D288-H311 IonicContact OD2-ND1 2.74Å; D288-H311 PolarHBondContact OD2-ND1 2.9Å; D288-N312 PolarHBondContact OD2-N 3.4Å; D288-A333 PolarHBondContact N-O 3.42Å; D288-F334 HydrophobicContact CB-CB 3.88Å
289	M	90.9	Very high	94.7	Very high	122 Å²	122	36.8 Å²	36.8	60%	0.601	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.2	-179.9	-176.4	172.5	67.3	0	0	113.5	N291 I308 F309 H311	M289-N291 VanDerWaalsContact C-N 3.33Å; M289-I308 HydrophobicContact CB-CG2 3.85Å; M289-I308 HydrophobicContact CG-CG2 4.3Å; M289-F309 WeakPolarHBondContact CB-O 3.48Å; M289-F309 PolarHBondContact N-O 2.85Å; M289-F309 VanDerWaalsContact N-O 3.09Å; M289-H311 HydrophobicContact CE-CB 4.33Å
290	G	86.5	Confident	94.3	Very high	20 Å²	20	39.8 Å²	39.8	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	3.8	178.2	0	0	0	0	0	114.4	D288 H292 H338	D288-G290 PolarHBondContact O-N 3.33Å; D288-G290 WeakPolarHBondContact OD1-CA 3.38Å; D288-G290 PolarHBondContact OD1-N 3.11Å; G290-H292 PolarHBondContact O-N 3.1Å; G290-H338 PolarHBondContact O-CD2 3.43Å; G290-H338 VanDerWaalsContact O-CD2 3.29Å; G290-H338 PolarHBondContact O-NE2 3.05Å
291	N	91.6	Very high	93.8	Very high	7 Å²	7	41 Å²	41	4%	0.037	23%	0.234	C	C	.	.			trans	-57.1	137.4	-175.5	-88.8	-18.4	0	0	0	114	S287 D288 M289 M295 I296 A333 F334	S287-N291 PolarHBondContact OG-ND2 3.11Å; D288-N291 PolarHBondContact N-ND2 3.12Å; D288-N291 WeakPolarHBondContact O-CB 3.45Å; D288-N291 PolarHBondContact O-N 3.02Å; D288-N291 PolarHBondContact O-ND2 3.28Å; M289-N291 VanDerWaalsContact C-N 3.33Å; N291-M295 HydrophobicContact CB-CB 4.42Å; N291-M295 HydrophobicContact CB-CE 3.93Å; N291-M295 VanDerWaalsContact OD1-CE 3.25Å; N291-M295 WeakPolarHBondContact OD1-CE 3.19Å; N291-I296 HydrophobicContact CB-CG1 4.35Å; N291-I296 WeakPolarHBondContact O-CD1 3.46Å; N291-A333 PolarHBondContact ND2-O 3.08Å; N291-F334 VanDerWaalsContact OD1-CA 3.29Å; N291-F334 WeakPolarHBondContact OD1-CA 3.47Å
292	H	94.1	Very high	93.6	Very high	74 Å²	74	36.2 Å²	36.2	34%	0.343	20%	0.202	S	C	.	.			trans	-55	146.9	175.2	-172.5	-103.2	0	0	0	112.9	G290 S294 M295 I296 E335	G290-H292 PolarHBondContact O-N 3.1Å; H292-S294 WeakPolarHBondContact ND1-CB 3.48Å; H292-S294 PolarHBondContact ND1-N 2.9Å; H292-S294 PolarHBondContact ND1-OG 2.69Å; H292-S294 PolarHBondContact O-N 3.22Å; H292-M295 HydrophobicContact CB-CE 4.06Å; H292-M295 PolarHBondContact O-N 3.08Å; H292-I296 PolarHBondContact O-N 3.43Å; H292-E335 WeakPolarHBondContact CA-OE1 3.46Å; H292-E335 WeakPolarHBondContact CB-OE1 3.3Å; H292-E335 PolarHBondContact N-OE1 3.15Å
293	A	85.4	Confident	93.3	Very high	60 Å²	60	36.3 Å²	36.3	50%	0.496	20%	0.204	S	C	.	.	H	α-helix	trans	-51.9	-33	-178.1	0	0	0	0	0	114	M295 I296 Q297	A293-M295 VanDerWaalsContact C-N 3.34Å; A293-M295 PolarHBondContact O-N 3.49Å; A293-I296 PolarHBondContact O-N 2.91Å; A293-Q297 VanDerWaalsContact O-CB 3.28Å; A293-Q297 WeakPolarHBondContact O-CB 3.38Å; A293-Q297 PolarHBondContact O-N 3.19Å
294	S	94.4	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-38	176.5	60.2	0	0	0	0	113.4	N269 D270 H292 G298	N269-S294 WeakPolarHBondContact CB-OG 3.48Å; N269-S294 PolarHBondContact ND2-OG 2.63Å; D270-S294 WeakPolarHBondContact CA-O 3.29Å; H292-S294 WeakPolarHBondContact ND1-CB 3.48Å; H292-S294 PolarHBondContact ND1-N 2.9Å; H292-S294 PolarHBondContact ND1-OG 2.69Å; H292-S294 PolarHBondContact O-N 3.22Å; S294-G298 PolarHBondContact O-N 3.03Å
295	M	97.7	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-72.8	-46.4	177.6	-67.7	-170.9	-83.4	0	0	109.8	N269 L273 N291 H292 A293 Q297 G298 I299 E335 F362 D364	N269-M295 HydrophobicContact CB-CG 3.95Å; L273-M295 HydrophobicContact CD1-CB 3.64Å; L273-M295 HydrophobicContact CD1-CG 3.7Å; L273-M295 HydrophobicContact CD1-SD 4.49Å; N291-M295 HydrophobicContact CB-CB 4.42Å; N291-M295 HydrophobicContact CB-CE 3.93Å; N291-M295 VanDerWaalsContact OD1-CE 3.25Å; N291-M295 WeakPolarHBondContact OD1-CE 3.19Å; H292-M295 HydrophobicContact CB-CE 4.06Å; H292-M295 PolarHBondContact O-N 3.08Å; A293-M295 VanDerWaalsContact C-N 3.34Å; A293-M295 PolarHBondContact O-N 3.49Å; M295-Q297 PolarHBondContact O-N 2.72Å; M295-G298 PolarHBondContact O-N 3.36Å; M295-I299 WeakPolarHBondContact O-CD1 3.41Å; M295-I299 WeakPolarHBondContact O-CG1 3.4Å; M295-I299 PolarHBondContact O-N 2.9Å; M295-E335 HydrophobicContact CE-CG 3.42Å; M295-E335 VanDerWaalsContact CE-CG 3.42Å; M295-F362 HydrophobicContact CG-CE1 4.22Å; M295-F362 HydrophobicContact SD-CD1 4.12Å; M295-F362 HydrophobicContact SD-CE1 3.91Å; M295-D364 HydrophobicContact CE-CB 3.95Å; M295-D364 HydrophobicContact SD-CB 3.97Å
296	I	90.4	Very high	92.6	Very high	67 Å²	67	48.5 Å²	48.5	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-54	-43.9	175.1	-64.3	175.1	0	0	0	110.8	N291 H292 A293 I299 R300	N291-I296 HydrophobicContact CB-CG1 4.35Å; N291-I296 WeakPolarHBondContact O-CD1 3.46Å; H292-I296 PolarHBondContact O-N 3.43Å; A293-I296 PolarHBondContact O-N 2.91Å; I296-I299 PolarHBondContact O-N 3.45Å; I296-R300 HydrophobicContact CG2-CG 3.98Å; I296-R300 VanDerWaalsContact O-CB 3.28Å; I296-R300 WeakPolarHBondContact O-CB 3.41Å; I296-R300 WeakPolarHBondContact O-CG 3.15Å; I296-R300 PolarHBondContact O-N 2.83Å
297	Q	90.4	Very high	92.5	Very high	80 Å²	80	50.9 Å²	50.9	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-51.4	-179.8	-172.9	66.7	10.5	0	0	111.9	F266 A293 M295 I299 R300 N301	F266-Q297 HydrophobicContact CZ-CB 4.48Å; A293-Q297 VanDerWaalsContact O-CB 3.28Å; A293-Q297 WeakPolarHBondContact O-CB 3.38Å; A293-Q297 PolarHBondContact O-N 3.19Å; M295-Q297 PolarHBondContact O-N 2.72Å; Q297-I299 PolarHBondContact O-N 2.97Å; Q297-R300 PolarHBondContact O-N 3.4Å; Q297-N301 PolarHBondContact NE2-ND2 3.32Å; Q297-N301 VanDerWaalsContact O-CB 3.31Å; Q297-N301 WeakPolarHBondContact O-CB 3.1Å; Q297-N301 PolarHBondContact O-N 2.81Å; Q297-N301 PolarHBondContact O-ND2 3.21Å
298	G	92.9	Very high	92.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-42.8	179.7	0	0	0	0	0	112.5	D270 S294 M295 S302	D270-G298 WeakPolarHBondContact O-CA 3.14Å; D270-G298 WeakPolarHBondContact OD1-CA 3.47Å; D270-G298 PolarHBondContact OD1-N 3.39Å; D270-G298 VanDerWaalsContact OD1-N 3.08Å; S294-G298 PolarHBondContact O-N 3.03Å; M295-G298 PolarHBondContact O-N 3.36Å; G298-S302 PolarHBondContact O-N 2.97Å; G298-S302 VanDerWaalsContact O-N 3.15Å
299	I	93.9	Very high	92.4	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-51.1	177.5	-63.7	168.2	0	0	0	110.4	L273 I285 M295 I296 Q297 N301 S302 R306 A333	L273-I299 HydrophobicContact CB-CG1 4.31Å; L273-I299 HydrophobicContact CD1-CD1 4.31Å; L273-I299 HydrophobicContact CD1-CG1 4.17Å; L273-I299 HydrophobicContact CD2-CG1 4.4Å; I285-I299 HydrophobicContact CB-CG2 4.08Å; I285-I299 HydrophobicContact CG1-CG2 4.29Å; I285-I299 HydrophobicContact CG2-CD1 3.7Å; I285-I299 HydrophobicContact CG2-CG1 3.86Å; I285-I299 HydrophobicContact CG2-CG2 3.86Å; M295-I299 WeakPolarHBondContact O-CD1 3.41Å; M295-I299 WeakPolarHBondContact O-CG1 3.4Å; M295-I299 PolarHBondContact O-N 2.9Å; I296-I299 PolarHBondContact O-N 3.45Å; Q297-I299 PolarHBondContact O-N 2.97Å; I299-N301 PolarHBondContact O-N 3.42Å; I299-S302 PolarHBondContact O-N 3.03Å; I299-S302 PolarHBondContact O-OG 3.37Å; I299-R306 HydrophobicContact CG2-CB 4.19Å; I299-A333 HydrophobicContact CD1-CB 4.39Å
300	R	89	Confident	92.6	Very high	151 Å²	151	53.9 Å²	53.9	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-61.6	-44	-179.2	-74.4	-174.8	67.1	178.7	1.1	112.1	I296 Q297 S302 G303	I296-R300 HydrophobicContact CG2-CG 3.98Å; I296-R300 VanDerWaalsContact O-CB 3.28Å; I296-R300 WeakPolarHBondContact O-CB 3.41Å; I296-R300 WeakPolarHBondContact O-CG 3.15Å; I296-R300 PolarHBondContact O-N 2.83Å; Q297-R300 PolarHBondContact O-N 3.4Å; R300-S302 VanDerWaalsContact C-N 3.28Å; R300-S302 PolarHBondContact O-N 3.21Å; R300-G303 PolarHBondContact O-N 2.87Å
301	N	89.2	Confident	93	Very high	81 Å²	81	55.4 Å²	55.4	43%	0.433	28%	0.277	S	S	.	.	H	α-helix	trans	-69.1	-27.2	-177.1	-69.4	-18.1	0	0	0	112.7	F274 Q297 I299 G303	F274-N301 HydrophobicContact CD2-CB 3.74Å; F274-N301 HydrophobicContact CE2-CB 4.05Å; F274-N301 WeakPolarHBondContact CE2-O 3.23Å; Q297-N301 PolarHBondContact NE2-ND2 3.32Å; Q297-N301 VanDerWaalsContact O-CB 3.31Å; Q297-N301 WeakPolarHBondContact O-CB 3.1Å; Q297-N301 PolarHBondContact O-N 2.81Å; Q297-N301 PolarHBondContact O-ND2 3.21Å; I299-N301 PolarHBondContact O-N 3.42Å; N301-G303 PolarHBondContact O-N 2.69Å
302	S	93.6	Very high	93.2	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-31.6	178	74.9	0	0	0	0	112.6	K278 G298 I299 R300 A304	K278-S302 WeakPolarHBondContact CD-O 3.46Å; K278-S302 PolarHBondContact NZ-O 3.22Å; K278-S302 VanDerWaalsContact NZ-O 3.15Å; G298-S302 PolarHBondContact O-N 2.97Å; G298-S302 VanDerWaalsContact O-N 3.15Å; I299-S302 PolarHBondContact O-N 3.03Å; I299-S302 PolarHBondContact O-OG 3.37Å; R300-S302 VanDerWaalsContact C-N 3.28Å; R300-S302 PolarHBondContact O-N 3.21Å; S302-A304 VanDerWaalsContact OG-CB 3.29Å; S302-A304 WeakPolarHBondContact OG-CB 3.23Å; S302-A304 PolarHBondContact OG-N 3.14Å
303	G	88.8	Confident	93.3	Very high	66 Å²	66	54.9 Å²	54.9	68%	0.68	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	10	-170.1	0	0	0	0	0	113.9	R300 N301	R300-G303 PolarHBondContact O-N 2.87Å; N301-G303 PolarHBondContact O-N 2.69Å
304	A	92.4	Very high	93.9	Very high	20 Å²	20	53.5 Å²	53.5	17%	0.165	26%	0.263	C	S	.	.			trans	-63.7	153.6	174.4	0	0	0	0	0	111.5	A277 I285 S302 R306	A277-A304 HydrophobicContact CB-CB 3.98Å; I285-A304 HydrophobicContact CG1-CB 3.98Å; S302-A304 VanDerWaalsContact OG-CB 3.29Å; S302-A304 WeakPolarHBondContact OG-CB 3.23Å; S302-A304 PolarHBondContact OG-N 3.14Å; A304-R306 PolarHBondContact O-N 3.09Å
305	K	94.3	Very high	94.1	Very high	121 Å²	121	59.6 Å²	59.6	53%	0.526	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.2	173.7	-173.5	179.3	175.5	-155.6	0	108	E284 I285 F307	E284-K305 WeakPolarHBondContact CA-O 3.47Å; E284-K305 HydrophobicContact CG-CB 4.34Å; E284-K305 HydrophobicContact CG-CD 4.26Å; E284-K305 WeakPolarHBondContact OE1-CD 3.36Å; E284-K305 IonicContact OE1-NZ 2.71Å; E284-K305 PolarHBondContact OE1-NZ 3.27Å; I285-K305 PolarHBondContact N-O 3.11Å; K305-F307 HydrophobicContact CD-CE2 4.02Å; K305-F307 HydrophobicContact CD-CZ 3.89Å; K305-F307 HydrophobicContact CG-CE2 3.98Å; K305-F307 HydrophobicContact CG-CZ 4.14Å
306	R	95	Very high	94.1	Very high	133 Å²	133	61.1 Å²	61.1	50%	0.502	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.2	-175.6	69.9	179.9	-172.9	-122.6	0.2	111.6	I285 I299 A304	I285-R306 CarbonylContact O-C 3.52Å; I285-R306 VanDerWaalsContact O-CA 3.26Å; I285-R306 WeakPolarHBondContact O-CA 3.26Å; I299-R306 HydrophobicContact CG2-CB 4.19Å; A304-R306 PolarHBondContact O-N 3.09Å
307	F	96.4	Very high	94.5	Very high	50 Å²	50	57.9 Å²	57.9	22%	0.219	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.2	174.3	-56.5	-90.2	0	0	0	108.1	E284 I285 Y286 S287 K305 L320	E284-F307 HydrophobicContact CB-CE2 4.04Å; E284-F307 HydrophobicContact CG-CE2 4.03Å; I285-F307 PolarHBondContact O-N 3.33Å; Y286-F307 CarbonylContact C-O 3.58Å; Y286-F307 WeakPolarHBondContact CA-O 3.41Å; Y286-F307 HydrophobicContact CD1-CB 3.84Å; Y286-F307 HydrophobicContact CD1-CD2 4.22Å; Y286-F307 HydrophobicContact CD1-CG 4.31Å; Y286-F307 HydrophobicContact CE1-CB 4.02Å; Y286-F307 AromaticContact CE1-CD2 3.79Å; Y286-F307 HydrophobicContact CE1-CD2 3.79Å; Y286-F307 HydrophobicContact CE1-CE2 4.37Å; Y286-F307 HydrophobicContact CE1-CG 4Å; Y286-F307 HydrophobicContact CE2-CD2 4.18Å; Y286-F307 HydrophobicContact CE2-CE2 4.49Å; Y286-F307 HydrophobicContact CG-CB 4.5Å; Y286-F307 AromaticContact CZ-CD2 3.78Å; S287-F307 PolarHBondContact N-O 3.21Å; K305-F307 HydrophobicContact CD-CE2 4.02Å; K305-F307 HydrophobicContact CD-CZ 3.89Å; K305-F307 HydrophobicContact CG-CE2 3.98Å; K305-F307 HydrophobicContact CG-CZ 4.14Å; F307-L320 HydrophobicContact CB-CD1 4.28Å
308	I	95.7	Very high	94.8	Very high	81 Å²	81	56.8 Å²	56.8	42%	0.415	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117	-178.4	-50.2	-55.9	0	0	0	108.1	S287 M289	S287-I308 WeakPolarHBondContact O-CA 3.05Å; M289-I308 HydrophobicContact CB-CG2 3.85Å; M289-I308 HydrophobicContact CG-CG2 4.3Å
309	F	97.5	Very high	95.1	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	159.3	172.9	67.1	-88.1	0	0	0	110.5	S287 D288 M289 L317 L320 V332 F334 L350	S287-F309 VanDerWaalsContact C-CD1 3.47Å; S287-F309 WeakPolarHBondContact O-CD1 3.45Å; S287-F309 PolarHBondContact O-N 3.37Å; S287-F309 VanDerWaalsContact O-N 3.08Å; D288-F309 HydrophobicContact CB-CE1 4.06Å; D288-F309 HydrophobicContact CB-CE2 3.85Å; D288-F309 HydrophobicContact CB-CZ 3.52Å; D288-F309 WeakPolarHBondContact OD2-CE2 3.39Å; M289-F309 WeakPolarHBondContact CB-O 3.48Å; M289-F309 PolarHBondContact N-O 2.85Å; M289-F309 VanDerWaalsContact N-O 3.09Å; F309-L317 HydrophobicContact CB-CB 4.24Å; F309-L317 HydrophobicContact CD1-CB 4.47Å; F309-L317 HydrophobicContact CD1-CD1 3.8Å; F309-L317 HydrophobicContact CD2-CB 4.12Å; F309-L317 HydrophobicContact CE1-CD1 4.04Å; F309-L317 HydrophobicContact CG-CB 4.06Å; F309-L317 HydrophobicContact CG-CD1 4.22Å; F309-L320 HydrophobicContact CB-CD1 3.82Å; F309-V332 HydrophobicContact CE1-CG1 4.01Å; F309-V332 HydrophobicContact CZ-CG1 4.32Å; F309-F334 HydrophobicContact CZ-CB 4.24Å; F309-L350 HydrophobicContact CE2-CD2 3.92Å; F309-L350 HydrophobicContact CZ-CD2 4.32Å
310	R	95.6	Very high	95.2	Very high	113 Å²	113	63.2 Å²	63.2	43%	0.426	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-68.6	146.9	-176.4	-78.1	-179.6	-59.2	-102.2	6.5	108.1	N312 D313 H316	R310-N312 PolarHBondContact O-N 3.43Å; R310-N312 VanDerWaalsContact O-N 3.16Å; R310-D313 HydrophobicContact CB-CB 3.65Å; R310-D313 IonicContact CZ-OD2 3.02Å; R310-D313 IonicContact NE-OD2 3.27Å; R310-D313 PolarHBondContact NE-OD2 3.02Å; R310-D313 IonicContact NH2-OD2 2.68Å; R310-D313 PolarHBondContact NH2-OD2 2.88Å; R310-D313 WeakPolarHBondContact O-CB 3.08Å; R310-D313 PolarHBondContact O-N 2.68Å; R310-H316 PolarHBondContact N-ND1 2.91Å
311	H	94.9	Very high	95.7	Very high	53 Å²	53	56 Å²	56	25%	0.245	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	122.3	-174.3	-176.2	51.7	0	0	0	111.3	D288 M289 D313 D341	D288-H311 IonicContact OD1-CE1 2.81Å; D288-H311 IonicContact OD1-CG 3.64Å; D288-H311 IonicContact OD1-ND1 3.88Å; D288-H311 PolarHBondContact OD1-ND1 2.87Å; D288-H311 WeakPolarHBondContact OD2-CA 3.4Å; D288-H311 IonicContact OD2-ND1 2.74Å; D288-H311 PolarHBondContact OD2-ND1 2.9Å; M289-H311 HydrophobicContact CE-CB 4.33Å; H311-D313 PolarHBondContact O-N 2.85Å; H311-D341 IonicContact CD2-OD2 3.11Å; H311-D341 IonicContact NE2-OD2 3.88Å; H311-D341 PolarHBondContact NE2-OD2 3.32Å
312	N	94.7	Very high	96.1	Very high	34 Å²	34	55.6 Å²	55.6	18%	0.182	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	22.8	-177.5	-65.7	-35.4	0	0	0	115.7	D288 R310 C345 P346	D288-N312 PolarHBondContact OD2-N 3.4Å; R310-N312 PolarHBondContact O-N 3.43Å; R310-N312 VanDerWaalsContact O-N 3.16Å; N312-C345 WeakPolarHBondContact OD1-CA 3.16Å; N312-C345 WeakPolarHBondContact OD1-CB 3.21Å; N312-P346 HydrophobicContact CB-CG 4.47Å; N312-P346 WeakPolarHBondContact O-CG 3.13Å
313	D	96.8	Very high	96	Very high	36 Å²	36	59 Å²	59	19%	0.193	32%	0.32	C	S	.	.			trans	-101.9	95.1	-177.3	-171.3	-21.2	0	0	0	111.5	R310 H311 Q315 H316 L317	R310-D313 HydrophobicContact CB-CB 3.65Å; R310-D313 IonicContact CZ-OD2 3.02Å; R310-D313 IonicContact NE-OD2 3.27Å; R310-D313 PolarHBondContact NE-OD2 3.02Å; R310-D313 IonicContact NH2-OD2 2.68Å; R310-D313 PolarHBondContact NH2-OD2 2.88Å; R310-D313 WeakPolarHBondContact O-CB 3.08Å; R310-D313 PolarHBondContact O-N 2.68Å; H311-D313 PolarHBondContact O-N 2.85Å; D313-Q315 VanDerWaalsContact C-N 3.28Å; D313-Q315 PolarHBondContact O-N 2.91Å; D313-Q315 WeakPolarHBondContact OD1-CB 3.31Å; D313-Q315 PolarHBondContact OD1-N 2.86Å; D313-H316 HydrophobicContact CB-CB 4.09Å; D313-H316 PolarHBondContact OD1-N 3.12Å; D313-L317 PolarHBondContact O-N 3.11Å; D313-L317 VanDerWaalsContact O-N 3.11Å
314	S	97.9	Very high	96.4	Very high	31 Å²	31	56.7 Å²	56.7	22%	0.217	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-26.4	177.8	57.8	0	0	0	0	113.2	L317 E318	S314-L317 PolarHBondContact O-N 2.85Å; S314-E318 PolarHBondContact O-N 3.2Å
315	Q	98.4	Very high	96.6	Very high	127 Å²	127	59.9 Å²	59.9	59%	0.593	31%	0.308	S	S	*	.	H	α-helix	trans	-71.5	-46	177.4	-177	-178.8	-6.3	0	0	110.7	D313 L317 E318 E319	D313-Q315 VanDerWaalsContact C-N 3.28Å; D313-Q315 PolarHBondContact O-N 2.91Å; D313-Q315 WeakPolarHBondContact OD1-CB 3.31Å; D313-Q315 PolarHBondContact OD1-N 2.86Å; Q315-L317 VanDerWaalsContact C-N 3.28Å; Q315-L317 PolarHBondContact O-N 2.81Å; Q315-E318 PolarHBondContact O-N 2.8Å; Q315-E318 VanDerWaalsContact O-N 3.17Å; Q315-E319 WeakPolarHBondContact O-CG 3.19Å; Q315-E319 PolarHBondContact O-N 2.91Å
316	H	97.9	Very high	96.6	Very high	32 Å²	32	58.9 Å²	58.9	15%	0.148	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-37.4	174.2	-169.3	-154.9	0	0	0	111.6	R310 D313 E318 E319 L320	R310-H316 PolarHBondContact N-ND1 2.91Å; D313-H316 HydrophobicContact CB-CB 4.09Å; D313-H316 PolarHBondContact OD1-N 3.12Å; H316-E318 VanDerWaalsContact C-N 3.33Å; H316-E318 PolarHBondContact O-N 2.9Å; H316-E319 IonicContact CD2-OE2 2.83Å; H316-E319 PolarHBondContact O-N 3.34Å; H316-L320 VanDerWaalsContact O-CG 3.3Å; H316-L320 WeakPolarHBondContact O-CG 3.47Å; H316-L320 PolarHBondContact O-N 3.08Å
317	L	98.4	Very high	96.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-45.9	172.5	174.5	62.8	0	0	0	111.2	Y286 F309 D313 S314 Q315 L320 L321 V332 L350 V353	Y286-L317 HydrophobicContact CD1-CD1 4.16Å; Y286-L317 HydrophobicContact CG-CD1 4.27Å; F309-L317 HydrophobicContact CB-CB 4.24Å; F309-L317 HydrophobicContact CD1-CB 4.47Å; F309-L317 HydrophobicContact CD1-CD1 3.8Å; F309-L317 HydrophobicContact CD2-CB 4.12Å; F309-L317 HydrophobicContact CE1-CD1 4.04Å; F309-L317 HydrophobicContact CG-CB 4.06Å; F309-L317 HydrophobicContact CG-CD1 4.22Å; D313-L317 PolarHBondContact O-N 3.11Å; D313-L317 VanDerWaalsContact O-N 3.11Å; S314-L317 PolarHBondContact O-N 2.85Å; Q315-L317 VanDerWaalsContact C-N 3.28Å; Q315-L317 PolarHBondContact O-N 2.81Å; L317-L320 PolarHBondContact O-N 3.33Å; L317-L321 HydrophobicContact CD1-CD1 3.68Å; L317-L321 HydrophobicContact CD1-CG 4.08Å; L317-L321 HydrophobicContact CD2-CD1 4.39Å; L317-L321 HydrophobicContact CG-CD1 3.74Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 WeakPolarHBondContact O-CG 3.21Å; L317-L321 PolarHBondContact O-N 2.71Å; L317-V332 HydrophobicContact CD1-CG1 3.89Å; L317-V332 HydrophobicContact CD1-CG2 4.13Å; L317-V332 HydrophobicContact CD2-CG1 3.71Å; L317-V332 HydrophobicContact CG-CG1 4.47Å; L317-L350 HydrophobicContact CD2-CD2 3.67Å; L317-V353 HydrophobicContact CB-CG1 4.42Å; L317-V353 HydrophobicContact CD2-CB 4.38Å; L317-V353 HydrophobicContact CD2-CG1 3.96Å; L317-V353 HydrophobicContact CG-CG1 3.85Å
318	E	98.6	Very high	96.8	Very high	56 Å²	56	61 Å²	61	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-44	176.5	176	150.8	-139.4	0	0	112	S314 Q315 H316 L320 L321 S322 V353 R356 Y357	S314-E318 PolarHBondContact O-N 3.2Å; Q315-E318 PolarHBondContact O-N 2.8Å; Q315-E318 VanDerWaalsContact O-N 3.17Å; H316-E318 VanDerWaalsContact C-N 3.33Å; H316-E318 PolarHBondContact O-N 2.9Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.06Å; E318-L321 PolarHBondContact O-N 3.01Å; E318-S322 VanDerWaalsContact O-CB 3.28Å; E318-S322 WeakPolarHBondContact O-CB 3.38Å; E318-S322 PolarHBondContact O-N 2.95Å; E318-S322 PolarHBondContact O-OG 2.97Å; E318-V353 HydrophobicContact CB-CG1 3.74Å; E318-V353 HydrophobicContact CB-CG2 4.32Å; E318-R356 IonicContact OE1-CZ 3.87Å; E318-R356 IonicContact OE1-NH1 3.04Å; E318-R356 PolarHBondContact OE1-NH1 3.08Å; E318-R356 IonicContact OE2-NH1 3.38Å; E318-R356 PolarHBondContact OE2-NH1 3.16Å; E318-Y357 HydrophobicContact CG-CE2 3.79Å; E318-Y357 WeakPolarHBondContact OE1-CE2 3.06Å; E318-Y357 PolarHBondContact OE1-OH 3.2Å
319	E	98.2	Very high	96.9	Very high	96 Å²	96	58.8 Å²	58.8	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-54.1	-47.1	174.7	-72.1	168	-173.2	0	0	111.3	Q315 H316 S322	Q315-E319 WeakPolarHBondContact O-CG 3.19Å; Q315-E319 PolarHBondContact O-N 2.91Å; H316-E319 IonicContact CD2-OE2 2.83Å; H316-E319 PolarHBondContact O-N 3.34Å; E319-S322 PolarHBondContact O-OG 2.88Å
320	L	96.9	Very high	97	Very high	44 Å²	44	58.9 Å²	58.9	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-70.6	-38.4	-179.8	-64.3	172.2	0	0	0	112.9	Y286 F307 F309 H316 L317 E318	Y286-L320 HydrophobicContact CD1-CB 4.03Å; Y286-L320 HydrophobicContact CE1-CB 3.8Å; F307-L320 HydrophobicContact CB-CD1 4.28Å; F309-L320 HydrophobicContact CB-CD1 3.82Å; H316-L320 VanDerWaalsContact O-CG 3.3Å; H316-L320 WeakPolarHBondContact O-CG 3.47Å; H316-L320 PolarHBondContact O-N 3.08Å; L317-L320 PolarHBondContact O-N 3.33Å; E318-L320 VanDerWaalsContact C-N 3.3Å; E318-L320 PolarHBondContact O-N 3.06Å
321	L	98.2	Very high	97.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-72.2	-34.1	179.5	-80.3	167.1	0	0	0	112.5	Y286 L317 E318 G323 S324 K330 V332 V353 Y357 A359	Y286-L321 HydrophobicContact CD1-CD2 4.05Å; Y286-L321 HydrophobicContact CD1-CG 4.01Å; Y286-L321 HydrophobicContact CD2-CD2 3.77Å; Y286-L321 HydrophobicContact CE1-CD2 3.76Å; Y286-L321 HydrophobicContact CE1-CG 3.85Å; Y286-L321 HydrophobicContact CE2-CD2 3.48Å; Y286-L321 VanDerWaalsContact CE2-CD2 3.48Å; Y286-L321 HydrophobicContact CE2-CG 4.45Å; Y286-L321 HydrophobicContact CG-CD2 4.04Å; Y286-L321 HydrophobicContact CG-CG 4.36Å; Y286-L321 VanDerWaalsContact CZ-CD2 3.46Å; L317-L321 HydrophobicContact CD1-CD1 3.68Å; L317-L321 HydrophobicContact CD1-CG 4.08Å; L317-L321 HydrophobicContact CD2-CD1 4.39Å; L317-L321 HydrophobicContact CG-CD1 3.74Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 WeakPolarHBondContact O-CG 3.21Å; L317-L321 PolarHBondContact O-N 2.71Å; E318-L321 PolarHBondContact O-N 3.01Å; L321-G323 PolarHBondContact O-N 3.43Å; L321-S324 WeakPolarHBondContact O-CB 3.46Å; L321-S324 PolarHBondContact O-N 2.71Å; L321-K330 HydrophobicContact CD2-CD 3.78Å; L321-V332 HydrophobicContact CD1-CG2 4.24Å; L321-V353 HydrophobicContact CD1-CG1 3.84Å; L321-Y357 HydrophobicContact CB-CD1 4.29Å; L321-Y357 HydrophobicContact CB-CD2 3.77Å; L321-Y357 HydrophobicContact CB-CE2 4.44Å; L321-Y357 HydrophobicContact CB-CG 3.71Å; L321-Y357 HydrophobicContact CD1-CD2 4.18Å; L321-A359 HydrophobicContact CD2-CB 4.41Å
322	S	97.3	Very high	97.3	Very high	72 Å²	72	51 Å²	51	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-26.4	-179.6	73.7	0	0	0	0	113.5	E318 E319 S324	E318-S322 VanDerWaalsContact O-CB 3.28Å; E318-S322 WeakPolarHBondContact O-CB 3.38Å; E318-S322 PolarHBondContact O-N 2.95Å; E318-S322 PolarHBondContact O-OG 2.97Å; E319-S322 PolarHBondContact O-OG 2.88Å; S322-S324 VanDerWaalsContact C-N 3.34Å
323	G	93	Very high	97.5	Very high	74 Å²	74	49.4 Å²	49.4	76%	0.763	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.6	176.7	0	0	0	0	0	115.1	L321	L321-G323 PolarHBondContact O-N 3.43Å
324	S	96.1	Very high	97.6	Very high	16 Å²	16	47.7 Å²	47.7	11%	0.112	27%	0.271	C	S	.	.	S	Bend	trans	-101	148.8	-175.7	-178.5	0	0	0	0	113	E284 Y286 L321 S322 P326 K330	E284-S324 WeakPolarHBondContact OE2-CB 3.24Å; E284-S324 PolarHBondContact OE2-OG 2.85Å; Y286-S324 WeakPolarHBondContact OH-CB 3.16Å; L321-S324 WeakPolarHBondContact O-CB 3.46Å; L321-S324 PolarHBondContact O-N 2.71Å; S322-S324 VanDerWaalsContact C-N 3.34Å; S324-P326 WeakPolarHBondContact O-CD 2.9Å; S324-K330 WeakPolarHBondContact OG-CE 3.5Å
325	D	96.5	Very high	97.7	Very high	88 Å²	88	46.6 Å²	46.6	47%	0.471	26%	0.262	S	S	.	.			trans	-65.5	123.4	174.1	-179.4	-8.6	0	0	0	110	K327 T328 K330	D325-K327 PolarHBondContact O-N 3.01Å; D325-K327 WeakPolarHBondContact OD1-CB 3.47Å; D325-K327 PolarHBondContact OD1-N 2.88Å; D325-T328 WeakPolarHBondContact O-CB 3.44Å; D325-T328 PolarHBondContact O-N 3.28Å; D325-K330 WeakPolarHBondContact O-CE 3.09Å; D325-K330 PolarHBondContact O-NZ 3.46Å
326	P	95	Very high	97.7	Very high	100 Å²	100	40.6 Å²	40.6	65%	0.649	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-27.9	175.6	-28.6	36.4	0	0	0	114.5	S324 K330	S324-P326 WeakPolarHBondContact O-CD 2.9Å; P326-K330 PolarHBondContact O-NZ 3.05Å
327	K	96.8	Very high	97.7	Very high	193 Å²	193	39.1 Å²	39.1	84%	0.839	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.6	179.9	-65.4	179.7	-179.8	175.1	0	114.2	D325	D325-K327 PolarHBondContact O-N 3.01Å; D325-K327 WeakPolarHBondContact OD1-CB 3.47Å; D325-K327 PolarHBondContact OD1-N 2.88Å
328	T	98.1	Very high	97.5	Very high	33 Å²	33	40.2 Å²	40.2	20%	0.202	23%	0.233	C	C	.	.	S	Bend	trans	-71.1	128.6	175	-61.2	0	0	0	0	109	G282 E284 D325 K330	G282-T328 VanDerWaalsContact O-CG2 3.25Å; G282-T328 WeakPolarHBondContact O-CG2 3.45Å; E284-T328 HydrophobicContact CG-CG2 3.86Å; D325-T328 WeakPolarHBondContact O-CB 3.44Å; D325-T328 PolarHBondContact O-N 3.28Å; T328-K330 WeakPolarHBondContact O-CG 3.45Å; T328-K330 PolarHBondContact O-NZ 2.98Å
329	P	98.6	Very high	96.9	Very high	35 Å²	35	38 Å²	38	23%	0.227	22%	0.223	C	C	.	.			trans	-63.2	134.7	174.7	-20.7	32.5	0	0	0	111.3	L280 P281 C283 E284	L280-P329 HydrophobicContact CB-CB 3.96Å; L280-P329 HydrophobicContact CB-CG 4.37Å; L280-P329 HydrophobicContact CD1-CB 4.22Å; L280-P329 HydrophobicContact CD2-CB 4.33Å; L280-P329 HydrophobicContact CG-CB 4.41Å; P281-P329 HydrophobicContact CG-CG 4.32Å; P281-P329 VanDerWaalsContact O-CD 3.23Å; P281-P329 WeakPolarHBondContact O-CD 3.39Å; C283-P329 VanDerWaalsContact CA-O 3.31Å; C283-P329 WeakPolarHBondContact CA-O 3.45Å; E284-P329 PolarHBondContact N-O 3.46Å
330	K	98.7	Very high	96.5	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.7	-176.5	-41	178	-167	67.4	0	111.1	E284 Y286 L321 S324 D325 P326 T328 Y357 A359 L360	E284-K330 HydrophobicContact CB-CG 4.47Å; E284-K330 CarbonylContact O-C 3.52Å; E284-K330 VanDerWaalsContact O-CA 3.22Å; E284-K330 WeakPolarHBondContact O-CA 3.25Å; Y286-K330 HydrophobicContact CD2-CB 4.33Å; Y286-K330 HydrophobicContact CE2-CB 4.04Å; Y286-K330 HydrophobicContact CE2-CD 3.94Å; Y286-K330 HydrophobicContact CE2-CG 4.22Å; L321-K330 HydrophobicContact CD2-CD 3.78Å; S324-K330 WeakPolarHBondContact OG-CE 3.5Å; D325-K330 WeakPolarHBondContact O-CE 3.09Å; D325-K330 PolarHBondContact O-NZ 3.46Å; P326-K330 PolarHBondContact O-NZ 3.05Å; T328-K330 WeakPolarHBondContact O-CG 3.45Å; T328-K330 PolarHBondContact O-NZ 2.98Å; K330-Y357 PolarHBondContact NZ-O 3.47Å; K330-Y357 VanDerWaalsContact NZ-O 3.08Å; K330-A359 HydrophobicContact CB-CB 3.63Å; K330-A359 WeakPolarHBondContact O-CA 3.44Å; K330-L360 PolarHBondContact O-N 2.97Å
331	I	98.9	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.7	170.1	-55.9	171.5	0	0	0	108.5	L273 L276 L280 E284 I285 Y286 L360 F362	L273-I331 HydrophobicContact CD2-CG2 4.3Å; L276-I331 HydrophobicContact CB-CD1 3.8Å; L276-I331 HydrophobicContact CD1-CD1 4.39Å; L280-I331 HydrophobicContact CD1-CD1 4.27Å; E284-I331 PolarHBondContact O-N 2.9Å; I285-I331 CarbonylContact C-O 3.59Å; I285-I331 WeakPolarHBondContact CA-O 3.48Å; I285-I331 HydrophobicContact CD1-CB 3.74Å; I285-I331 HydrophobicContact CD1-CD1 3.91Å; I285-I331 HydrophobicContact CD1-CG1 4.11Å; Y286-I331 PolarHBondContact N-O 2.95Å; I331-L360 CarbonylContact C-O 3.37Å; I331-L360 WeakPolarHBondContact CA-O 3.25Å; I331-F362 HydrophobicContact CG2-CB 3.76Å
332	V	98.9	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119	168	-174.3	0	0	0	0	108	Y286 F309 L317 L321 F334 A354 A359 L360 T361 F362	Y286-V332 CarbonylContact O-C 3.09Å; Y286-V332 VanDerWaalsContact O-CA 3.32Å; Y286-V332 WeakPolarHBondContact O-CA 3.41Å; F309-V332 HydrophobicContact CE1-CG1 4.01Å; F309-V332 HydrophobicContact CZ-CG1 4.32Å; L317-V332 HydrophobicContact CD1-CG1 3.89Å; L317-V332 HydrophobicContact CD1-CG2 4.13Å; L317-V332 HydrophobicContact CD2-CG1 3.71Å; L317-V332 HydrophobicContact CG-CG1 4.47Å; L321-V332 HydrophobicContact CD1-CG2 4.24Å; V332-F334 HydrophobicContact CG1-CD1 3.92Å; V332-F334 HydrophobicContact CG1-CE1 4.13Å; V332-A354 HydrophobicContact CB-CB 3.98Å; V332-A354 HydrophobicContact CG2-CB 3.55Å; V332-A359 HydrophobicContact CG2-CB 3.73Å; V332-L360 PolarHBondContact N-O 3.41Å; V332-T361 WeakPolarHBondContact O-CA 3.11Å; V332-F362 PolarHBondContact O-N 3.38Å
333	A	98.9	Very high	95.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.4	-175.9	0	0	0	0	0	111.4	L273 Y286 D288 N291 I299 F362	L273-A333 HydrophobicContact CD2-CB 4.21Å; Y286-A333 PolarHBondContact O-N 3.49Å; D288-A333 PolarHBondContact N-O 3.42Å; N291-A333 PolarHBondContact ND2-O 3.08Å; I299-A333 HydrophobicContact CD1-CB 4.39Å; A333-F362 VanDerWaalsContact CA-O 3.3Å; A333-F362 WeakPolarHBondContact CA-O 3.45Å; A333-F362 HydrophobicContact CB-CB 4.21Å; A333-F362 HydrophobicContact CB-CD1 4.34Å
334	F	98.8	Very high	95.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	164.7	-179.7	58.9	-85.8	0	0	0	112.7	D288 N291 F309 V332 C345 L347 L350 T361 F362 V363 D364	D288-F334 HydrophobicContact CB-CB 3.88Å; N291-F334 VanDerWaalsContact OD1-CA 3.29Å; N291-F334 WeakPolarHBondContact OD1-CA 3.47Å; F309-F334 HydrophobicContact CZ-CB 4.24Å; V332-F334 HydrophobicContact CG1-CD1 3.92Å; V332-F334 HydrophobicContact CG1-CE1 4.13Å; F334-C345 HydrophobicContact CD2-CB 4.4Å; F334-L347 HydrophobicContact CE2-CD1 3.61Å; F334-L347 HydrophobicContact CZ-CD1 3.9Å; F334-L350 HydrophobicContact CD1-CD1 4.5Å; F334-L350 HydrophobicContact CD2-CD1 3.77Å; F334-L350 HydrophobicContact CE1-CB 3.98Å; F334-L350 HydrophobicContact CE2-CB 4.13Å; F334-L350 HydrophobicContact CE2-CD1 3.81Å; F334-L350 HydrophobicContact CG-CD1 4.12Å; F334-L350 HydrophobicContact CZ-CB 3.7Å; F334-L350 HydrophobicContact CZ-CD1 4.2Å; F334-T361 HydrophobicContact CE1-CG2 4.47Å; F334-F362 PolarHBondContact N-O 2.86Å; F334-F362 VanDerWaalsContact N-O 3.11Å; F334-V363 HydrophobicContact CD2-CG1 4.47Å; F334-V363 HydrophobicContact CE1-CG2 3.95Å; F334-V363 HydrophobicContact CE2-CG1 4.08Å; F334-V363 HydrophobicContact CE2-CG2 3.9Å; F334-V363 HydrophobicContact CZ-CG2 3.55Å; F334-V363 WeakPolarHBondContact O-CA 3.38Å; F334-D364 PolarHBondContact O-N 2.89Å
335	E	98.6	Very high	95.7	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	150.2	172.5	-58.5	-177.6	-146.7	0	0	110.8	H292 M295 H338 S339 C345 D364	H292-E335 WeakPolarHBondContact CA-OE1 3.46Å; H292-E335 WeakPolarHBondContact CB-OE1 3.3Å; H292-E335 PolarHBondContact N-OE1 3.15Å; M295-E335 HydrophobicContact CE-CG 3.42Å; M295-E335 VanDerWaalsContact CE-CG 3.42Å; E335-H338 IonicContact OE1-CD2 3.69Å; E335-H338 IonicContact OE2-CD2 3.98Å; E335-S339 PolarHBondContact OE2-N 3.45Å; E335-C345 WeakPolarHBondContact O-CB 2.93Å; E335-C345 PolarHBondContact O-SG 2.88Å; E335-C345 VanDerWaalsContact O-SG 3.4Å; E335-D364 WeakPolarHBondContact CA-O 3.28Å; E335-D364 HydrophobicContact CG-CB 4.13Å
336	T	98.5	Very high	95.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.15	C	C	.	.	S	Bend	trans	-78.8	-72.5	166.9	47.6	0	0	0	0	111.1	I344 C345 L347 V363 D364 E365 V379	T336-I344 CarbonylContact O-C 3.22Å; T336-I344 VanDerWaalsContact O-CA 3.27Å; T336-I344 WeakPolarHBondContact O-CA 3.39Å; T336-C345 PolarHBondContact O-N 3.3Å; T336-L347 HydrophobicContact CG2-CD1 4.24Å; T336-L347 HydrophobicContact CG2-CD2 4.31Å; T336-V363 HydrophobicContact CG2-CG1 3.46Å; T336-V363 VanDerWaalsContact CG2-CG1 3.46Å; T336-D364 PolarHBondContact N-O 3.08Å; T336-D364 PolarHBondContact OG1-O 3.4Å; T336-E365 HydrophobicContact CG2-CG 3.88Å; T336-E365 PolarHBondContact OG1-OE2 2.92Å; T336-V379 HydrophobicContact CG2-CB 3.94Å; T336-V379 HydrophobicContact CG2-CG1 4.41Å; T336-V379 HydrophobicContact CG2-CG2 4.49Å
337	V	98.3	Very high	96	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-92.6	111.9	171.7	-179.1	0	0	0	0	108.6	A343 I344 H367 A368 Y372 V379 I482	V337-A343 WeakPolarHBondContact CA-O 3.47Å; V337-I344 HydrophobicContact CG2-CD1 4.31Å; V337-I344 HydrophobicContact CG2-CG1 3.95Å; V337-H367 HydrophobicContact CB-CB 3.86Å; V337-H367 HydrophobicContact CG1-CB 3.93Å; V337-H367 WeakPolarHBondContact O-CB 3.49Å; V337-A368 HydrophobicContact CG2-CB 4.06Å; V337-Y372 HydrophobicContact CG2-CD2 4.25Å; V337-Y372 HydrophobicContact CG2-CE2 3.68Å; V337-V379 HydrophobicContact CG2-CG2 3.84Å; V337-I482 HydrophobicContact CG1-CD1 4.09Å
338	H	93.9	Very high	96.1	Very high	23 Å²	23	17.7 Å²	17.7	11%	0.106	10%	0.099	C	C	.	.			trans	-75	137.5	-178.1	177.3	-114	0	0	0	111.6	G290 E335 M340 D341 A343 I482	G290-H338 PolarHBondContact O-CD2 3.43Å; G290-H338 VanDerWaalsContact O-CD2 3.29Å; G290-H338 PolarHBondContact O-NE2 3.05Å; E335-H338 IonicContact OE1-CD2 3.69Å; E335-H338 IonicContact OE2-CD2 3.98Å; H338-M340 VanDerWaalsContact C-N 3.32Å; H338-M340 PolarHBondContact O-N 3.34Å; H338-D341 WeakPolarHBondContact CB-OD1 3.49Å; H338-D341 IonicContact CE1-OD1 3.2Å; H338-D341 IonicContact CE1-OD2 3.52Å; H338-D341 PolarHBondContact CE1-OD2 3Å; H338-D341 IonicContact CG-OD1 3.93Å; H338-D341 IonicContact CG-OD2 4Å; H338-D341 PolarHBondContact ND1-N 3.05Å; H338-D341 IonicContact ND1-OD1 2.79Å; H338-D341 PolarHBondContact ND1-OD1 3.34Å; H338-D341 IonicContact ND1-OD2 3.66Å; H338-D341 PolarHBondContact ND1-OD2 2.66Å; H338-A343 PolarHBondContact N-O 2.91Å; H338-I482 WeakPolarHBondContact O-CD1 3.22Å
339	S	87.1	Confident	96.1	Very high	8 Å²	8	20.8 Å²	20.8	6%	0.056	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.4	-166.7	68.1	0	0	0	0	115.3	E335 H367 R524	E335-S339 PolarHBondContact OE2-N 3.45Å; S339-H367 WeakPolarHBondContact CB-NE2 3.49Å; S339-R524 PolarHBondContact O-NE 3.22Å; S339-R524 PolarHBondContact O-NH2 3.43Å
340	M	89.1	Confident	96.1	Very high	30 Å²	30	19.1 Å²	19.1	15%	0.148	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-43	-169.1	-65	-59	124.1	0	0	114.9	H338 P484 I511 T515 V516	H338-M340 VanDerWaalsContact C-N 3.32Å; H338-M340 PolarHBondContact O-N 3.34Å; M340-P484 VanDerWaalsContact O-CG 3.27Å; M340-P484 WeakPolarHBondContact O-CG 3.35Å; M340-I511 HydrophobicContact SD-CG2 3.89Å; M340-T515 HydrophobicContact CE-CG2 4.02Å; M340-T515 HydrophobicContact CG-CG2 4.07Å; M340-T515 HydrophobicContact SD-CG2 3.58Å; M340-T515 VanDerWaalsContact SD-CG2 3.58Å; M340-V516 HydrophobicContact CB-CG1 3.94Å; M340-V516 HydrophobicContact CG-CG1 3.96Å; M340-V516 HydrophobicContact SD-CG1 4.43Å
341	D	88.3	Confident	96.1	Very high	48 Å²	48	18.9 Å²	18.9	26%	0.257	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-9.1	-178.8	59.8	24.1	0	0	0	113.6	H311 H338 A343 C478	H311-D341 IonicContact CD2-OD2 3.11Å; H311-D341 IonicContact NE2-OD2 3.88Å; H311-D341 PolarHBondContact NE2-OD2 3.32Å; H338-D341 WeakPolarHBondContact CB-OD1 3.49Å; H338-D341 IonicContact CE1-OD1 3.2Å; H338-D341 IonicContact CE1-OD2 3.52Å; H338-D341 PolarHBondContact CE1-OD2 3Å; H338-D341 IonicContact CG-OD1 3.93Å; H338-D341 IonicContact CG-OD2 4Å; H338-D341 PolarHBondContact ND1-N 3.05Å; H338-D341 IonicContact ND1-OD1 2.79Å; H338-D341 PolarHBondContact ND1-OD1 3.34Å; H338-D341 IonicContact ND1-OD2 3.66Å; H338-D341 PolarHBondContact ND1-OD2 2.66Å; D341-A343 PolarHBondContact O-N 3.13Å; D341-A343 VanDerWaalsContact OD1-CB 3.24Å; D341-A343 WeakPolarHBondContact OD1-CB 3.34Å; D341-A343 PolarHBondContact OD1-N 3.26Å; D341-C478 VanDerWaalsContact O-CB 3.27Å; D341-C478 WeakPolarHBondContact O-CB 3.4Å
342	G	90	Very high	96.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.			trans	70.2	13	-179.6	0	0	0	0	0	114.7	C478 S480	G342-C478 WeakPolarHBondContact O-CB 3.45Å; G342-S480 VanDerWaalsContact C-OG 3.3Å; G342-S480 WeakPolarHBondContact CA-OG 3.13Å; G342-S480 WeakPolarHBondContact O-CB 3.35Å; G342-S480 PolarHBondContact O-N 3.42Å; G342-S480 PolarHBondContact O-OG 2.71Å
343	A	93	Very high	96.1	Very high	21 Å²	21	22.1 Å²	22.1	17%	0.174	12%	0.117	C	C	.	.			trans	-64	152.8	173.9	0	0	0	0	0	111.3	V337 H338 D341	V337-A343 WeakPolarHBondContact CA-O 3.47Å; H338-A343 PolarHBondContact N-O 2.91Å; D341-A343 PolarHBondContact O-N 3.13Å; D341-A343 VanDerWaalsContact OD1-CB 3.24Å; D341-A343 WeakPolarHBondContact OD1-CB 3.34Å; D341-A343 PolarHBondContact OD1-N 3.26Å
344	I	97.6	Very high	96.1	Very high	27 Å²	27	22.1 Å²	22.1	14%	0.138	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-118.4	125.8	167.3	-59.2	178.9	0	0	0	106.8	T336 V337 Y372 V379 P479	T336-I344 CarbonylContact O-C 3.22Å; T336-I344 VanDerWaalsContact O-CA 3.27Å; T336-I344 WeakPolarHBondContact O-CA 3.39Å; V337-I344 HydrophobicContact CG2-CD1 4.31Å; V337-I344 HydrophobicContact CG2-CG1 3.95Å; I344-Y372 HydrophobicContact CD1-CE1 4.16Å; I344-V379 HydrophobicContact CG2-CG1 4.01Å; I344-V379 HydrophobicContact CG2-CG2 4.11Å; I344-P479 HydrophobicContact CB-CG 4.15Å; I344-P479 HydrophobicContact CD1-CB 4.35Å; I344-P479 HydrophobicContact CD1-CG 4.15Å; I344-P479 HydrophobicContact CG1-CG 3.95Å
345	C	96.8	Very high	96.1	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.034	13%	0.132	C	C	.	.			trans	-66.6	153.8	-175.4	77.1	0	0	0	0	112.7	N312 F334 E335 T336 L347 L350	N312-C345 WeakPolarHBondContact OD1-CA 3.16Å; N312-C345 WeakPolarHBondContact OD1-CB 3.21Å; F334-C345 HydrophobicContact CD2-CB 4.4Å; E335-C345 WeakPolarHBondContact O-CB 2.93Å; E335-C345 PolarHBondContact O-SG 2.88Å; E335-C345 VanDerWaalsContact O-SG 3.4Å; T336-C345 PolarHBondContact O-N 3.3Å; C345-L347 PolarHBondContact O-N 2.94Å; C345-L350 HydrophobicContact CB-CD1 3.89Å
346	P	97.9	Very high	96.1	Very high	38 Å²	38	32.4 Å²	32.4	25%	0.247	16%	0.158	C	C	.	.			trans	-73.1	75.6	166.4	31.2	-33.2	0	0	0	109.2	N312 E348 E349 L350	N312-P346 HydrophobicContact CB-CG 4.47Å; N312-P346 WeakPolarHBondContact O-CG 3.13Å; P346-E348 PolarHBondContact O-N 2.96Å; P346-E349 VanDerWaalsContact C-OE2 3.26Å; P346-E349 WeakPolarHBondContact CA-OE2 3.31Å; P346-E349 HydrophobicContact CB-CB 4.32Å; P346-E349 VanDerWaalsContact CB-OE2 3.28Å; P346-E349 WeakPolarHBondContact CB-OE2 3.21Å; P346-E349 PolarHBondContact O-N 2.95Å; P346-L350 HydrophobicContact CG-CD1 4.21Å; P346-L350 HydrophobicContact CG-CG 4.23Å; P346-L350 WeakPolarHBondContact O-CG 3.45Å; P346-L350 PolarHBondContact O-N 2.9Å
347	L	98.5	Very high	96.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-43.8	-167.6	176.2	61.8	0	0	0	112.3	F334 T336 C345 C351 V363 V379 I385 I389	F334-L347 HydrophobicContact CE2-CD1 3.61Å; F334-L347 HydrophobicContact CZ-CD1 3.9Å; T336-L347 HydrophobicContact CG2-CD1 4.24Å; T336-L347 HydrophobicContact CG2-CD2 4.31Å; C345-L347 PolarHBondContact O-N 2.94Å; L347-C351 WeakPolarHBondContact O-CB 3.3Å; L347-C351 PolarHBondContact O-N 3.46Å; L347-C351 PolarHBondContact O-SG 3.14Å; L347-C351 VanDerWaalsContact O-SG 3.4Å; L347-V363 HydrophobicContact CD1-CG1 4.1Å; L347-V363 HydrophobicContact CD1-CG2 4.39Å; L347-V379 HydrophobicContact CD2-CB 4.47Å; L347-V379 HydrophobicContact CD2-CG1 3.98Å; L347-I385 HydrophobicContact CB-CD1 4.13Å; L347-I385 HydrophobicContact CD2-CD1 3.83Å; L347-I385 HydrophobicContact CD2-CG1 4.11Å; L347-I385 HydrophobicContact CG-CD1 3.7Å; L347-I385 HydrophobicContact CG-CG1 4.46Å; L347-I389 HydrophobicContact CD1-CD1 4.37Å; L347-I389 HydrophobicContact CD1-CG1 4.3Å; L347-I389 HydrophobicContact CD2-CD1 4.18Å
348	E	98.6	Very high	96.1	Very high	87 Å²	87	37.4 Å²	37.4	41%	0.407	19%	0.193	S	C	.	.	H	α-helix	trans	-62.8	-48	-179.2	-173.7	157.4	-146.9	0	0	111.2	P346 C351 D352 I385 K388	P346-E348 PolarHBondContact O-N 2.96Å; E348-C351 PolarHBondContact O-N 3.36Å; E348-D352 WeakPolarHBondContact O-CB 3.31Å; E348-D352 VanDerWaalsContact O-CG 3.28Å; E348-D352 PolarHBondContact O-N 3.33Å; E348-I385 HydrophobicContact CB-CD1 3.72Å; E348-I385 HydrophobicContact CG-CD1 4.39Å; E348-K388 HydrophobicContact CG-CD 4.44Å; E348-K388 IonicContact OE1-NZ 3.73Å; E348-K388 PolarHBondContact OE1-NZ 3.49Å
349	E	98.8	Very high	96.3	Very high	97 Å²	97	36.6 Å²	36.6	45%	0.453	19%	0.19	S	C	.	.	H	α-helix	trans	-65.1	-42.9	-177.9	-61.9	87.8	160.7	0	0	111.6	P346 D352 V353	P346-E349 VanDerWaalsContact C-OE2 3.26Å; P346-E349 WeakPolarHBondContact CA-OE2 3.31Å; P346-E349 HydrophobicContact CB-CB 4.32Å; P346-E349 VanDerWaalsContact CB-OE2 3.28Å; P346-E349 WeakPolarHBondContact CB-OE2 3.21Å; P346-E349 PolarHBondContact O-N 2.95Å; E349-D352 PolarHBondContact O-N 2.75Å; E349-V353 WeakPolarHBondContact O-CB 3.21Å; E349-V353 VanDerWaalsContact O-CG2 3.26Å; E349-V353 WeakPolarHBondContact O-CG2 3.22Å; E349-V353 PolarHBondContact O-N 2.72Å
350	L	98.8	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-43	176.8	-71.2	169.7	0	0	0	111.6	F309 L317 F334 C345 P346 A354	F309-L350 HydrophobicContact CE2-CD2 3.92Å; F309-L350 HydrophobicContact CZ-CD2 4.32Å; L317-L350 HydrophobicContact CD2-CD2 3.67Å; F334-L350 HydrophobicContact CD1-CD1 4.5Å; F334-L350 HydrophobicContact CD2-CD1 3.77Å; F334-L350 HydrophobicContact CE1-CB 3.98Å; F334-L350 HydrophobicContact CE2-CB 4.13Å; F334-L350 HydrophobicContact CE2-CD1 3.81Å; F334-L350 HydrophobicContact CG-CD1 4.12Å; F334-L350 HydrophobicContact CZ-CB 3.7Å; F334-L350 HydrophobicContact CZ-CD1 4.2Å; C345-L350 HydrophobicContact CB-CD1 3.89Å; P346-L350 HydrophobicContact CG-CD1 4.21Å; P346-L350 HydrophobicContact CG-CG 4.23Å; P346-L350 WeakPolarHBondContact O-CG 3.45Å; P346-L350 PolarHBondContact O-N 2.9Å; L350-A354 VanDerWaalsContact O-CB 3.28Å; L350-A354 WeakPolarHBondContact O-CB 2.98Å; L350-A354 PolarHBondContact O-N 2.86Å
351	C	98.9	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-47.3	175.5	-78.6	0	0	0	0	112	L347 E348 V353 A354 H355 T361 K388	L347-C351 WeakPolarHBondContact O-CB 3.3Å; L347-C351 PolarHBondContact O-N 3.46Å; L347-C351 PolarHBondContact O-SG 3.14Å; L347-C351 VanDerWaalsContact O-SG 3.4Å; E348-C351 PolarHBondContact O-N 3.36Å; C351-V353 VanDerWaalsContact C-N 3.34Å; C351-V353 PolarHBondContact O-N 2.97Å; C351-A354 WeakPolarHBondContact O-CB 3.29Å; C351-A354 PolarHBondContact O-N 3.34Å; C351-H355 WeakPolarHBondContact O-CB 3.34Å; C351-H355 VanDerWaalsContact O-CG 3.3Å; C351-H355 PolarHBondContact O-N 3.41Å; C351-T361 HydrophobicContact CB-CG2 4.41Å; C351-K388 HydrophobicContact CB-CB 3.86Å; C351-K388 HydrophobicContact CB-CD 4.33Å; C351-K388 PolarHBondContact SG-O 3.48Å; C351-K388 VanDerWaalsContact SG-O 3.39Å
352	D	98.8	Very high	97.8	Very high	60 Å²	60	35.4 Å²	35.4	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-64	-40.6	-178.1	-76.1	-8.8	0	0	0	111.8	E348 E349 R356 K388	E348-D352 WeakPolarHBondContact O-CB 3.31Å; E348-D352 VanDerWaalsContact O-CG 3.28Å; E348-D352 PolarHBondContact O-N 3.33Å; E349-D352 PolarHBondContact O-N 2.75Å; D352-R356 VanDerWaalsContact O-CB 3.24Å; D352-R356 WeakPolarHBondContact O-CB 3.45Å; D352-R356 PolarHBondContact O-N 3.13Å; D352-K388 WeakPolarHBondContact OD1-CD 3.39Å; D352-K388 VanDerWaalsContact OD1-CE 3.26Å; D352-K388 WeakPolarHBondContact OD1-CE 3.36Å; D352-K388 IonicContact OD1-NZ 3.55Å; D352-K388 PolarHBondContact OD1-NZ 3.22Å; D352-K388 IonicContact OD2-NZ 2.7Å; D352-K388 PolarHBondContact OD2-NZ 3.2Å
353	V	98.8	Very high	98.3	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.048	18%	0.183	C	C	.	.	H	α-helix	trans	-63.6	-49.1	172.7	168.8	0	0	0	0	110.2	L317 E318 L321 E349 C351 H355 R356 Y357	L317-V353 HydrophobicContact CB-CG1 4.42Å; L317-V353 HydrophobicContact CD2-CB 4.38Å; L317-V353 HydrophobicContact CD2-CG1 3.96Å; L317-V353 HydrophobicContact CG-CG1 3.85Å; E318-V353 HydrophobicContact CB-CG1 3.74Å; E318-V353 HydrophobicContact CB-CG2 4.32Å; L321-V353 HydrophobicContact CD1-CG1 3.84Å; E349-V353 WeakPolarHBondContact O-CB 3.21Å; E349-V353 VanDerWaalsContact O-CG2 3.26Å; E349-V353 WeakPolarHBondContact O-CG2 3.22Å; E349-V353 PolarHBondContact O-N 2.72Å; C351-V353 VanDerWaalsContact C-N 3.34Å; C351-V353 PolarHBondContact O-N 2.97Å; V353-H355 PolarHBondContact O-N 3.37Å; V353-R356 PolarHBondContact O-N 2.87Å; V353-Y357 HydrophobicContact CG1-CD2 4.42Å; V353-Y357 VanDerWaalsContact O-CD2 3.3Å; V353-Y357 WeakPolarHBondContact O-CD2 3.49Å; V353-Y357 PolarHBondContact O-N 3.33Å
354	A	98.8	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.5	-49.5	178.8	0	0	0	0	0	112	V332 L350 C351 Y357 G358 A359 T361	V332-A354 HydrophobicContact CB-CB 3.98Å; V332-A354 HydrophobicContact CG2-CB 3.55Å; L350-A354 VanDerWaalsContact O-CB 3.28Å; L350-A354 WeakPolarHBondContact O-CB 2.98Å; L350-A354 PolarHBondContact O-N 2.86Å; C351-A354 WeakPolarHBondContact O-CB 3.29Å; C351-A354 PolarHBondContact O-N 3.34Å; A354-Y357 PolarHBondContact O-N 3.02Å; A354-G358 PolarHBondContact O-N 3.43Å; A354-A359 HydrophobicContact CB-CB 4.24Å; A354-A359 WeakPolarHBondContact O-CB 3.45Å; A354-A359 PolarHBondContact O-N 2.96Å; A354-T361 HydrophobicContact CB-CG2 3.56Å
355	H	98.8	Very high	98.6	Very high	70 Å²	70	33.4 Å²	33.4	32%	0.324	17%	0.17	S	C	.	.	H	α-helix	trans	-67.9	-37.1	-178.3	-67.6	166.5	0	0	0	113	C351 V353 Y357 G358 A359 K388 D390	C351-H355 WeakPolarHBondContact O-CB 3.34Å; C351-H355 VanDerWaalsContact O-CG 3.3Å; C351-H355 PolarHBondContact O-N 3.41Å; V353-H355 PolarHBondContact O-N 3.37Å; H355-Y357 PolarHBondContact O-N 2.85Å; H355-G358 PolarHBondContact O-N 3.35Å; H355-A359 PolarHBondContact CD2-O 3.16Å; H355-K388 PolarHBondContact CE1-O 3.04Å; H355-K388 PolarHBondContact NE2-O 3.13Å; H355-D390 IonicContact CD2-OD2 2.68Å; H355-D390 IonicContact CE1-OD2 2.76Å; H355-D390 IonicContact NE2-OD1 3.56Å; H355-D390 IonicContact NE2-OD2 3.56Å; H355-D390 PolarHBondContact NE2-OD2 3.27Å
356	R	98.5	Very high	98.7	Very high	155 Å²	155	33.7 Å²	33.7	59%	0.585	17%	0.171	S	C	*	.	H	α-helix	trans	-55.8	-34.9	175.9	-173.6	-174.6	-57.7	163.7	3.8	112.4	E318 D352 V353	E318-R356 IonicContact OE1-CZ 3.87Å; E318-R356 IonicContact OE1-NH1 3.04Å; E318-R356 PolarHBondContact OE1-NH1 3.08Å; E318-R356 IonicContact OE2-NH1 3.38Å; E318-R356 PolarHBondContact OE2-NH1 3.16Å; D352-R356 VanDerWaalsContact O-CB 3.24Å; D352-R356 WeakPolarHBondContact O-CB 3.45Å; D352-R356 PolarHBondContact O-N 3.13Å; V353-R356 PolarHBondContact O-N 2.87Å
357	Y	98.4	Very high	98.7	Very high	57 Å²	57	32.2 Å²	32.2	22%	0.224	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	14.8	179.6	-64.4	-83.6	0	0	0	113.8	E318 L321 K330 V353 A354 H355	E318-Y357 HydrophobicContact CG-CE2 3.79Å; E318-Y357 WeakPolarHBondContact OE1-CE2 3.06Å; E318-Y357 PolarHBondContact OE1-OH 3.2Å; L321-Y357 HydrophobicContact CB-CD1 4.29Å; L321-Y357 HydrophobicContact CB-CD2 3.77Å; L321-Y357 HydrophobicContact CB-CE2 4.44Å; L321-Y357 HydrophobicContact CB-CG 3.71Å; L321-Y357 HydrophobicContact CD1-CD2 4.18Å; K330-Y357 PolarHBondContact NZ-O 3.47Å; K330-Y357 VanDerWaalsContact NZ-O 3.08Å; V353-Y357 HydrophobicContact CG1-CD2 4.42Å; V353-Y357 VanDerWaalsContact O-CD2 3.3Å; V353-Y357 WeakPolarHBondContact O-CD2 3.49Å; V353-Y357 PolarHBondContact O-N 3.33Å; A354-Y357 PolarHBondContact O-N 3.02Å; H355-Y357 PolarHBondContact O-N 2.85Å
358	G	98.1	Very high	98.7	Very high	50 Å²	50	32.1 Å²	32.1	52%	0.515	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	27.8	174	0	0	0	0	0	114.3	A354 H355	A354-G358 PolarHBondContact O-N 3.43Å; H355-G358 PolarHBondContact O-N 3.35Å
359	A	98.8	Very high	98.7	Very high	5 Å²	5	28.1 Å²	28.1	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.8	175.5	0	0	0	0	0	111.8	L321 K330 V332 A354 H355	L321-A359 HydrophobicContact CD2-CB 4.41Å; K330-A359 HydrophobicContact CB-CB 3.63Å; K330-A359 WeakPolarHBondContact O-CA 3.44Å; V332-A359 HydrophobicContact CG2-CB 3.73Å; A354-A359 HydrophobicContact CB-CB 4.24Å; A354-A359 WeakPolarHBondContact O-CB 3.45Å; A354-A359 PolarHBondContact O-N 2.96Å; H355-A359 PolarHBondContact CD2-O 3.16Å
360	L	98.9	Very high	98.7	Very high	61 Å²	61	23.5 Å²	23.5	32%	0.319	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	149.1	164.4	-63.4	176.7	0	0	0	110.2	K330 I331 V332 D390 L413	K330-L360 PolarHBondContact O-N 2.97Å; I331-L360 CarbonylContact C-O 3.37Å; I331-L360 WeakPolarHBondContact CA-O 3.25Å; V332-L360 PolarHBondContact N-O 3.41Å; L360-D390 HydrophobicContact CB-CB 4.4Å; L360-D390 HydrophobicContact CD2-CB 4.15Å; L360-L413 HydrophobicContact CD1-CD1 4.49Å
361	T	98.9	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.3	172.1	54.8	0	0	0	0	110.9	V332 F334 C351 A354 K388 D390 I391	V332-T361 WeakPolarHBondContact O-CA 3.11Å; F334-T361 HydrophobicContact CE1-CG2 4.47Å; C351-T361 HydrophobicContact CB-CG2 4.41Å; A354-T361 HydrophobicContact CB-CG2 3.56Å; T361-K388 PolarHBondContact OG1-O 3.44Å; T361-D390 PolarHBondContact N-OD2 3.48Å; T361-D390 PolarHBondContact OG1-N 2.69Å; T361-D390 PolarHBondContact OG1-OD2 3.33Å; T361-I391 PolarHBondContact O-N 3.45Å
362	F	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	105.8	167.6	-176.5	-79.5	0	0	0	108	N269 T272 L273 M295 I331 V332 A333 F334 I391	N269-F362 HydrophobicContact CB-CZ 4.45Å; N269-F362 VanDerWaalsContact OD1-CZ 3.3Å; N269-F362 WeakPolarHBondContact OD1-CZ 3.29Å; T272-F362 HydrophobicContact CG2-CD2 4.32Å; T272-F362 HydrophobicContact CG2-CE2 3.75Å; L273-F362 HydrophobicContact CD1-CD1 4.09Å; L273-F362 HydrophobicContact CD1-CE1 3.89Å; L273-F362 HydrophobicContact CD1-CZ 4.17Å; L273-F362 HydrophobicContact CD2-CB 4.13Å; L273-F362 HydrophobicContact CD2-CD1 4.05Å; L273-F362 HydrophobicContact CD2-CD2 3.91Å; L273-F362 HydrophobicContact CD2-CE2 4.38Å; L273-F362 HydrophobicContact CD2-CG 3.74Å; L273-F362 HydrophobicContact CG-CD1 4.2Å; L273-F362 HydrophobicContact CG-CD2 4.09Å; L273-F362 HydrophobicContact CG-CE1 4.17Å; L273-F362 HydrophobicContact CG-CE2 4.04Å; L273-F362 HydrophobicContact CG-CG 4.19Å; L273-F362 HydrophobicContact CG-CZ 4.08Å; M295-F362 HydrophobicContact CG-CE1 4.22Å; M295-F362 HydrophobicContact SD-CD1 4.12Å; M295-F362 HydrophobicContact SD-CE1 3.91Å; I331-F362 HydrophobicContact CG2-CB 3.76Å; V332-F362 PolarHBondContact O-N 3.38Å; A333-F362 VanDerWaalsContact CA-O 3.3Å; A333-F362 WeakPolarHBondContact CA-O 3.45Å; A333-F362 HydrophobicContact CB-CB 4.21Å; A333-F362 HydrophobicContact CB-CD1 4.34Å; F334-F362 PolarHBondContact N-O 2.86Å; F334-F362 VanDerWaalsContact N-O 3.11Å; F362-I391 HydrophobicContact CD2-CB 4.05Å; F362-I391 HydrophobicContact CD2-CD1 4.07Å; F362-I391 HydrophobicContact CD2-CG2 3.75Å; F362-I391 HydrophobicContact CE2-CG2 3.92Å
363	V	98.9	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.3	-171.6	-175.6	0	0	0	0	109.6	F334 T336 L347 E365 I389 I391 V392 S393	F334-V363 HydrophobicContact CD2-CG1 4.47Å; F334-V363 HydrophobicContact CE1-CG2 3.95Å; F334-V363 HydrophobicContact CE2-CG1 4.08Å; F334-V363 HydrophobicContact CE2-CG2 3.9Å; F334-V363 HydrophobicContact CZ-CG2 3.55Å; F334-V363 WeakPolarHBondContact O-CA 3.38Å; T336-V363 HydrophobicContact CG2-CG1 3.46Å; T336-V363 VanDerWaalsContact CG2-CG1 3.46Å; L347-V363 HydrophobicContact CD1-CG1 4.1Å; L347-V363 HydrophobicContact CD1-CG2 4.39Å; V363-E365 HydrophobicContact CG1-CG 4.18Å; V363-I389 HydrophobicContact CB-CD1 4.36Å; V363-I389 HydrophobicContact CB-CG1 4.39Å; V363-I389 HydrophobicContact CB-CG2 3.65Å; V363-I389 HydrophobicContact CG1-CD1 4.2Å; V363-I389 HydrophobicContact CG2-CB 4.4Å; V363-I389 HydrophobicContact CG2-CG1 4.14Å; V363-I389 HydrophobicContact CG2-CG2 3.69Å; V363-I391 PolarHBondContact N-O 2.89Å; V363-V392 WeakPolarHBondContact O-CA 3.46Å; V363-S393 PolarHBondContact O-N 3.18Å
364	D	98.9	Very high	98.6	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.027	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112.8	175.3	-174	-35.8	0	0	0	109.8	N269 M295 F334 E335 T336 V366 S393	N269-D364 PolarHBondContact ND2-OD2 2.99Å; M295-D364 HydrophobicContact CE-CB 3.95Å; M295-D364 HydrophobicContact SD-CB 3.97Å; F334-D364 PolarHBondContact O-N 2.89Å; E335-D364 WeakPolarHBondContact CA-O 3.28Å; E335-D364 HydrophobicContact CG-CB 4.13Å; T336-D364 PolarHBondContact N-O 3.08Å; T336-D364 PolarHBondContact OG1-O 3.4Å; D364-V366 WeakPolarHBondContact OD1-CB 3.35Å; D364-V366 WeakPolarHBondContact OD1-CG2 3.48Å; D364-V366 PolarHBondContact OD1-N 3.18Å; D364-S393 WeakPolarHBondContact CA-OG 3.1Å
365	E	98.8	Very high	98.6	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.132	C	C	.	.			trans	-105.7	20.6	178.9	-71.4	-109.6	-146.2	0	0	111.6	T336 V363 H367 A368 V369 G378 V379 G380 V392 S393	T336-E365 HydrophobicContact CG2-CG 3.88Å; T336-E365 PolarHBondContact OG1-OE2 2.92Å; V363-E365 HydrophobicContact CG1-CG 4.18Å; E365-H367 VanDerWaalsContact C-N 3.29Å; E365-H367 PolarHBondContact O-N 2.83Å; E365-A368 HydrophobicContact CB-CB 4.22Å; E365-A368 WeakPolarHBondContact O-CA 3.25Å; E365-A368 WeakPolarHBondContact O-CB 3.43Å; E365-A368 PolarHBondContact O-N 3.47Å; E365-A368 WeakPolarHBondContact OE2-CB 3.33Å; E365-V369 HydrophobicContact CB-CG1 3.86Å; E365-V369 WeakPolarHBondContact O-CG1 3.35Å; E365-V369 WeakPolarHBondContact O-CG2 3.48Å; E365-V369 PolarHBondContact O-N 2.83Å; E365-G378 WeakPolarHBondContact OE2-CA 3.48Å; E365-V379 PolarHBondContact OE1-N 2.89Å; E365-V379 PolarHBondContact OE2-N 3.48Å; E365-G380 PolarHBondContact OE1-N 3.36Å; E365-V392 HydrophobicContact CB-CG1 4.08Å; E365-V392 HydrophobicContact CG-CG1 4.1Å; E365-S393 PolarHBondContact N-O 2.97Å
366	V	98.8	Very high	98.6	Very high	10 Å²	10	22.8 Å²	22.8	6%	0.061	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-37.8	-174.4	160.5	0	0	0	0	113.8	C265 D364 A368 T395 K398	C265-V366 HydrophobicContact CB-CG2 3.77Å; C265-V366 WeakPolarHBondContact SG-CG2 3.3Å; D364-V366 WeakPolarHBondContact OD1-CB 3.35Å; D364-V366 WeakPolarHBondContact OD1-CG2 3.48Å; D364-V366 PolarHBondContact OD1-N 3.18Å; V366-A368 VanDerWaalsContact C-N 3.34Å; V366-T395 HydrophobicContact CB-CG2 4.34Å; V366-T395 HydrophobicContact CG1-CG2 3.69Å; V366-T395 HydrophobicContact CG2-CG2 4.43Å; V366-K398 HydrophobicContact CG1-CD 3.73Å
367	H	98.7	Very high	98.6	Very high	8 Å²	8	15.4 Å²	15.4	4%	0.037	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	8.7	176.6	-75.2	-81.3	0	0	0	112.8	Y206 V337 S339 E365 L371 K398 H481 R524	Y206-H367 AromaticContact CE2-ND1 3.98Å; Y206-H367 AromaticContact CZ-ND1 3.76Å; Y206-H367 PolarHBondContact OH-CE1 3.04Å; Y206-H367 PolarHBondContact OH-ND1 3.02Å; V337-H367 HydrophobicContact CB-CB 3.86Å; V337-H367 HydrophobicContact CG1-CB 3.93Å; V337-H367 WeakPolarHBondContact O-CB 3.49Å; S339-H367 WeakPolarHBondContact CB-NE2 3.49Å; E365-H367 VanDerWaalsContact C-N 3.29Å; E365-H367 PolarHBondContact O-N 2.83Å; H367-L371 WeakPolarHBondContact O-CD1 3.41Å; H367-K398 PolarHBondContact CE1-NZ 3.45Å; H367-K398 PolarHBondContact NE2-NZ 3.5Å; H367-H481 PolarHBondContact O-CE1 3.02Å; H367-R524 PolarHBondContact CE1-NH2 3.39Å
368	A	98.7	Very high	98.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-37.5	-176.4	0	0	0	0	0	113.3	V337 E365 V366 G370 L371 Y372 V379	V337-A368 HydrophobicContact CG2-CB 4.06Å; E365-A368 HydrophobicContact CB-CB 4.22Å; E365-A368 WeakPolarHBondContact O-CA 3.25Å; E365-A368 WeakPolarHBondContact O-CB 3.43Å; E365-A368 PolarHBondContact O-N 3.47Å; E365-A368 WeakPolarHBondContact OE2-CB 3.33Å; V366-A368 VanDerWaalsContact C-N 3.34Å; A368-G370 PolarHBondContact O-N 3.23Å; A368-L371 WeakPolarHBondContact O-CA 3.38Å; A368-L371 WeakPolarHBondContact O-CB 3.35Å; A368-L371 PolarHBondContact O-N 2.82Å; A368-Y372 HydrophobicContact CB-CD2 4.01Å; A368-Y372 PolarHBondContact O-N 2.82Å; A368-Y372 VanDerWaalsContact O-N 3.14Å; A368-V379 HydrophobicContact CB-CG2 4Å
369	V	98.8	Very high	98.6	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.012	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	134.9	179.4	-65.4	0	0	0	0	110.8	E365 L371 A399 F400 Y406	E365-V369 HydrophobicContact CB-CG1 3.86Å; E365-V369 WeakPolarHBondContact O-CG1 3.35Å; E365-V369 WeakPolarHBondContact O-CG2 3.48Å; E365-V369 PolarHBondContact O-N 2.83Å; V369-L371 PolarHBondContact O-N 3.05Å; V369-A399 WeakPolarHBondContact O-CB 3.46Å; V369-F400 HydrophobicContact CB-CE2 3.89Å; V369-F400 HydrophobicContact CB-CZ 4.2Å; V369-F400 HydrophobicContact CG2-CD2 4.41Å; V369-F400 HydrophobicContact CG2-CE2 3.82Å; V369-Y406 VanDerWaalsContact CG1-OH 3.24Å; V369-Y406 WeakPolarHBondContact CG1-OH 3.36Å
370	G	98.6	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-21.9	-170.2	0	0	0	0	0	114.9	A368 G376 R454	A368-G370 PolarHBondContact O-N 3.23Å; G370-G376 WeakPolarHBondContact CA-O 3.46Å; G370-G376 PolarHBondContact N-O 3.23Å; G370-R454 WeakPolarHBondContact O-CD 3.5Å; G370-R454 WeakPolarHBondContact O-CG 3.16Å; G370-R454 PolarHBondContact O-NH1 2.84Å; G370-R454 VanDerWaalsContact O-NH1 3.11Å
371	L	98.8	Very high	98.6	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.016	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-27.4	-166.3	-62	177.4	0	0	0	115.4	Y206 L207 H367 A368 V369 A399 R454 H481	Y206-L371 HydrophobicContact CD2-CD1 3.58Å; Y206-L371 HydrophobicContact CD2-CG 4.45Å; Y206-L371 HydrophobicContact CE2-CD1 4.08Å; Y206-L371 HydrophobicContact CG-CD1 4.05Å; L207-L371 HydrophobicContact CD1-CD2 3.93Å; L207-L371 HydrophobicContact CD2-CD2 3.72Å; L207-L371 HydrophobicContact CG-CD2 3.71Å; H367-L371 WeakPolarHBondContact O-CD1 3.41Å; A368-L371 WeakPolarHBondContact O-CA 3.38Å; A368-L371 WeakPolarHBondContact O-CB 3.35Å; A368-L371 PolarHBondContact O-N 2.82Å; V369-L371 PolarHBondContact O-N 3.05Å; L371-A399 HydrophobicContact CD1-CB 4.49Å; L371-A399 HydrophobicContact CD2-CB 3.98Å; L371-A399 HydrophobicContact CG-CB 3.87Å; L371-R454 WeakPolarHBondContact O-CD 3.45Å; L371-R454 WeakPolarHBondContact O-CG 3.38Å; L371-H481 VanDerWaalsContact CD1-CE1 3.4Å; L371-H481 WeakPolarHBondContact CD1-CE1 3.22Å; L371-H481 WeakPolarHBondContact CD1-NE2 3.15Å
372	Y	98.6	Very high	98.6	Very high	15 Å²	15	10.3 Å²	10.3	6%	0.059	5%	0.05	C	C	.	.	S	Bend	trans	-126.1	150.3	-177.7	-59.9	-91.1	0	0	0	111.1	V337 I344 A368 G376 A377 G378 V379 S480 H481	V337-Y372 HydrophobicContact CG2-CD2 4.25Å; V337-Y372 HydrophobicContact CG2-CE2 3.68Å; I344-Y372 HydrophobicContact CD1-CE1 4.16Å; A368-Y372 HydrophobicContact CB-CD2 4.01Å; A368-Y372 PolarHBondContact O-N 2.82Å; A368-Y372 VanDerWaalsContact O-N 3.14Å; Y372-G376 CarbonylContact O-C 3.56Å; Y372-G376 WeakPolarHBondContact O-CA 3.46Å; Y372-A377 PolarHBondContact O-N 3.01Å; Y372-G378 CarbonylContact C-O 3.51Å; Y372-G378 PolarHBondContact O-N 3.45Å; Y372-V379 HydrophobicContact CD2-CG2 4.38Å; Y372-V379 HydrophobicContact CG-CG2 4.26Å; Y372-S480 WeakPolarHBondContact OH-CA 3.35Å; Y372-H481 AromaticContact CE2-ND1 3.72Å; Y372-H481 AromaticContact CZ-ND1 3.78Å; Y372-H481 PolarHBondContact OH-N 3.11Å; Y372-H481 PolarHBondContact OH-ND1 2.79Å
373	G	97.9	Very high	98.5	Very high	1 Å²	1	13 Å²	13	1%	0.01	6%	0.064	C	C	.	.	S	Bend	trans	85.8	166.4	-175.1	0	0	0	0	0	114.4	H375 G376 E381 R454	G373-H375 VanDerWaalsContact C-N 3.27Å; G373-H375 PolarHBondContact O-N 2.52Å; G373-G376 PolarHBondContact O-N 3.27Å; G373-E381 VanDerWaalsContact CA-OE2 3.23Å; G373-E381 WeakPolarHBondContact CA-OE2 3.35Å; G373-R454 PolarHBondContact O-NE 2.84Å
374	A	96.9	Very high	98.5	Very high	16 Å²	16	19.2 Å²	19.2	13%	0.132	10%	0.097	C	C	.	.	S	Bend	trans	-59.7	-37	-177.3	0	0	0	0	0	112.5	E381 Q451 R454 Y581	A374-E381 PolarHBondContact N-OE2 2.82Å; A374-Q451 WeakPolarHBondContact O-CG 3.32Å; A374-Q451 PolarHBondContact O-NE2 2.9Å; A374-Q451 VanDerWaalsContact O-NE2 3.14Å; A374-R454 PolarHBondContact O-NH2 3.21Å; A374-Y581 HydrophobicContact CB-CE1 3.74Å
375	H	98.5	Very high	98.5	Very high	87 Å²	87	19.4 Å²	19.4	40%	0.403	10%	0.098	S	C	.	.	S	Bend	trans	-112.1	3.4	-177	-52	91.9	0	0	0	112.5	L253 G373 E381 K446	L253-H375 HydrophobicContact CD1-CB 4.34Å; G373-H375 VanDerWaalsContact C-N 3.27Å; G373-H375 PolarHBondContact O-N 2.52Å; H375-E381 WeakPolarHBondContact CB-OE1 3.48Å; H375-E381 IonicContact CE1-OE1 3.8Å; H375-E381 IonicContact CG-OE1 3.19Å; H375-E381 PolarHBondContact N-OE1 2.66Å; H375-E381 PolarHBondContact N-OE2 2.86Å; H375-E381 IonicContact ND1-OE1 3.84Å; H375-E381 PolarHBondContact ND1-OE1 2.86Å; H375-K446 HydrophobicContact CB-CB 4.4Å; H375-K446 HydrophobicContact CB-CG 4.2Å; H375-K446 PolarHBondContact CD2-O 2.75Å; H375-K446 WeakPolarHBondContact O-CA 3.28Å
376	G	98.5	Very high	98.5	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	77.3	28.3	-177.9	0	0	0	0	0	112.1	G370 Y372 G373 G378 E381	G370-G376 WeakPolarHBondContact CA-O 3.46Å; G370-G376 PolarHBondContact N-O 3.23Å; Y372-G376 CarbonylContact O-C 3.56Å; Y372-G376 WeakPolarHBondContact O-CA 3.46Å; G373-G376 PolarHBondContact O-N 3.27Å; G376-G378 VanDerWaalsContact C-N 3.29Å; G376-E381 PolarHBondContact N-OE2 2.84Å
377	A	98.7	Very high	98.5	Very high	1 Å²	1	26 Å²	26	1%	0.008	13%	0.129	C	C	.	.			trans	-79.3	-13.4	176.7	0	0	0	0	0	112.7	L253 H254 Y372 E381 M386	L253-A377 HydrophobicContact CD1-CB 3.68Å; L253-A377 HydrophobicContact CG-CB 3.8Å; L253-A377 VanDerWaalsContact O-CB 3.28Å; L253-A377 WeakPolarHBondContact O-CB 3.48Å; H254-A377 PolarHBondContact CE1-O 2.77Å; Y372-A377 PolarHBondContact O-N 3.01Å; A377-E381 HydrophobicContact CB-CB 3.84Å; A377-E381 HydrophobicContact CB-CG 4.29Å; A377-E381 WeakPolarHBondContact CB-OE2 3.4Å; A377-E381 PolarHBondContact N-OE2 3.2Å; A377-M386 HydrophobicContact CB-CE 3.72Å; A377-M386 HydrophobicContact CB-SD 4.41Å
378	G	98.7	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.			trans	125.7	-166.7	174.7	0	0	0	0	0	113.6	E365 Y372 G376 G380 E381 R382	E365-G378 WeakPolarHBondContact OE2-CA 3.48Å; Y372-G378 CarbonylContact C-O 3.51Å; Y372-G378 PolarHBondContact O-N 3.45Å; G376-G378 VanDerWaalsContact C-N 3.29Å; G378-G380 VanDerWaalsContact C-N 3.33Å; G378-E381 PolarHBondContact O-N 3.46Å; G378-R382 PolarHBondContact O-N 2.8Å; G378-R382 VanDerWaalsContact O-N 3.11Å
379	V	98.8	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.5	-36.7	178.4	174	0	0	0	0	110.7	T336 V337 I344 L347 E365 A368 Y372 E381 R382 D383	T336-V379 HydrophobicContact CG2-CB 3.94Å; T336-V379 HydrophobicContact CG2-CG1 4.41Å; T336-V379 HydrophobicContact CG2-CG2 4.49Å; V337-V379 HydrophobicContact CG2-CG2 3.84Å; I344-V379 HydrophobicContact CG2-CG1 4.01Å; I344-V379 HydrophobicContact CG2-CG2 4.11Å; L347-V379 HydrophobicContact CD2-CB 4.47Å; L347-V379 HydrophobicContact CD2-CG1 3.98Å; E365-V379 PolarHBondContact OE1-N 2.89Å; E365-V379 PolarHBondContact OE2-N 3.48Å; A368-V379 HydrophobicContact CB-CG2 4Å; Y372-V379 HydrophobicContact CD2-CG2 4.38Å; Y372-V379 HydrophobicContact CG-CG2 4.26Å; V379-E381 PolarHBondContact O-N 3.03Å; V379-R382 WeakPolarHBondContact O-CB 3.49Å; V379-R382 PolarHBondContact O-N 3.37Å; V379-R382 VanDerWaalsContact O-N 3.12Å; V379-D383 WeakPolarHBondContact CG1-OD2 3.28Å; V379-D383 PolarHBondContact O-N 2.84Å
380	G	98.5	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.9	-34.5	173.8	0	0	0	0	0	113.5	E365 G378 N384 I385 M386	E365-G380 PolarHBondContact OE1-N 3.36Å; G378-G380 VanDerWaalsContact C-N 3.33Å; G380-N384 PolarHBondContact O-N 2.83Å; G380-I385 CarbonylContact O-C 3.58Å; G380-I385 PolarHBondContact O-N 2.87Å; G380-M386 WeakPolarHBondContact O-CG 3.26Å; G380-M386 PolarHBondContact O-N 3.45Å; G380-M386 VanDerWaalsContact O-N 3.1Å
381	E	98.7	Very high	98.5	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-74.4	-43.8	174.1	-176.8	-176.3	-148.7	0	0	111.9	G373 A374 H375 G376 A377 G378 V379 D383 N384 M386	G373-E381 VanDerWaalsContact CA-OE2 3.23Å; G373-E381 WeakPolarHBondContact CA-OE2 3.35Å; A374-E381 PolarHBondContact N-OE2 2.82Å; H375-E381 WeakPolarHBondContact CB-OE1 3.48Å; H375-E381 IonicContact CE1-OE1 3.8Å; H375-E381 IonicContact CG-OE1 3.19Å; H375-E381 PolarHBondContact N-OE1 2.66Å; H375-E381 PolarHBondContact N-OE2 2.86Å; H375-E381 IonicContact ND1-OE1 3.84Å; H375-E381 PolarHBondContact ND1-OE1 2.86Å; G376-E381 PolarHBondContact N-OE2 2.84Å; A377-E381 HydrophobicContact CB-CB 3.84Å; A377-E381 HydrophobicContact CB-CG 4.29Å; A377-E381 WeakPolarHBondContact CB-OE2 3.4Å; A377-E381 PolarHBondContact N-OE2 3.2Å; G378-E381 PolarHBondContact O-N 3.46Å; V379-E381 PolarHBondContact O-N 3.03Å; E381-D383 PolarHBondContact O-N 3.26Å; E381-N384 PolarHBondContact O-N 3.25Å; E381-N384 VanDerWaalsContact O-N 3.09Å; E381-M386 HydrophobicContact CB-CG 3.99Å; E381-M386 HydrophobicContact CB-SD 3.58Å; E381-M386 VanDerWaalsContact CB-SD 3.58Å; E381-M386 HydrophobicContact CG-SD 3.91Å; E381-M386 VanDerWaalsContact N-CG 3.34Å
382	R	98.4	Very high	98.5	Very high	51 Å²	51	29.1 Å²	29.1	19%	0.192	14%	0.144	C	C	.	.	H	α-helix	trans	-52.4	-43.1	176.2	-172.9	-163.3	68.3	-178.4	-2.5	111.5	G378 V379 W577	G378-R382 PolarHBondContact O-N 2.8Å; G378-R382 VanDerWaalsContact O-N 3.11Å; V379-R382 WeakPolarHBondContact O-CB 3.49Å; V379-R382 PolarHBondContact O-N 3.37Å; V379-R382 VanDerWaalsContact O-N 3.12Å; R382-W577 HydrophobicContact CB-CZ2 4.45Å; R382-W577 HydrophobicContact CG-CH2 3.57Å; R382-W577 HydrophobicContact CG-CZ2 3.28Å
383	D	98.2	Very high	98.5	Very high	57 Å²	57	28.4 Å²	28.4	31%	0.305	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2	-175	-61.8	-12.2	0	0	0	112.4	V379 E381 I385	V379-D383 WeakPolarHBondContact CG1-OD2 3.28Å; V379-D383 PolarHBondContact O-N 2.84Å; E381-D383 PolarHBondContact O-N 3.26Å; D383-I385 VanDerWaalsContact C-N 3.27Å; D383-I385 HydrophobicContact CB-CD1 4Å; D383-I385 HydrophobicContact CB-CG1 3.8Å; D383-I385 PolarHBondContact O-N 2.94Å
384	N	98.2	Very high	98.6	Very high	131 Å²	131	28.3 Å²	28.3	70%	0.701	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	32.9	179.2	-165.2	45.8	0	0	0	114.6	G380 E381	G380-N384 PolarHBondContact O-N 2.83Å; E381-N384 PolarHBondContact O-N 3.25Å; E381-N384 VanDerWaalsContact O-N 3.09Å
385	I	98.5	Very high	98.6	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.041	14%	0.138	C	C	.	.			trans	-128.9	23.7	-176.1	57	171.8	0	0	0	113	L347 E348 G380 D383 H387 K388	L347-I385 HydrophobicContact CB-CD1 4.13Å; L347-I385 HydrophobicContact CD2-CD1 3.83Å; L347-I385 HydrophobicContact CD2-CG1 4.11Å; L347-I385 HydrophobicContact CG-CD1 3.7Å; L347-I385 HydrophobicContact CG-CG1 4.46Å; E348-I385 HydrophobicContact CB-CD1 3.72Å; E348-I385 HydrophobicContact CG-CD1 4.39Å; G380-I385 CarbonylContact O-C 3.58Å; G380-I385 PolarHBondContact O-N 2.87Å; D383-I385 VanDerWaalsContact C-N 3.27Å; D383-I385 HydrophobicContact CB-CD1 4Å; D383-I385 HydrophobicContact CB-CG1 3.8Å; D383-I385 PolarHBondContact O-N 2.94Å; I385-H387 PolarHBondContact O-N 3.22Å; I385-K388 HydrophobicContact CB-CB 4.41Å; I385-K388 HydrophobicContact CB-CD 4.11Å; I385-K388 HydrophobicContact CB-CG 4.15Å; I385-K388 HydrophobicContact CG2-CD 4.15Å; I385-K388 WeakPolarHBondContact O-CB 3.3Å; I385-K388 PolarHBondContact O-N 3.39Å
386	M	98.4	Very high	98.7	Very high	16 Å²	16	24.1 Å²	24.1	8%	0.079	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-51.1	-30.4	176.4	-59.9	173.1	68.8	0	0	113.6	L253 H254 Q255 K256 A377 G380 E381 K388 I389	L253-M386 VanDerWaalsContact O-CE 3.31Å; L253-M386 WeakPolarHBondContact O-CE 3.37Å; H254-M386 VanDerWaalsContact CA-CE 3.4Å; H254-M386 HydrophobicContact CB-CE 4.49Å; H254-M386 WeakPolarHBondContact O-CE 3.24Å; Q255-M386 HydrophobicContact CB-CE 4.49Å; Q255-M386 HydrophobicContact CG-CE 4.22Å; K256-M386 PolarHBondContact NZ-O 3.37Å; A377-M386 HydrophobicContact CB-CE 3.72Å; A377-M386 HydrophobicContact CB-SD 4.41Å; G380-M386 WeakPolarHBondContact O-CG 3.26Å; G380-M386 PolarHBondContact O-N 3.45Å; G380-M386 VanDerWaalsContact O-N 3.1Å; E381-M386 HydrophobicContact CB-CG 3.99Å; E381-M386 HydrophobicContact CB-SD 3.58Å; E381-M386 VanDerWaalsContact CB-SD 3.58Å; E381-M386 HydrophobicContact CG-SD 3.91Å; E381-M386 VanDerWaalsContact N-CG 3.34Å; M386-K388 VanDerWaalsContact C-N 3.27Å; M386-K388 PolarHBondContact O-N 3.36Å; M386-I389 PolarHBondContact O-N 2.84Å
387	H	98.6	Very high	98.7	Very high	136 Å²	136	25.6 Å²	25.6	63%	0.63	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	-67.8	-24.7	177.5	66	-84.5	0	0	0	113	I385 I389	I385-H387 PolarHBondContact O-N 3.22Å; H387-I389 VanDerWaalsContact C-N 3.29Å
388	K	98.8	Very high	98.7	Very high	29 Å²	29	27.2 Å²	27.2	13%	0.126	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-77.1	-12.1	175.5	-62.1	-167.3	172.8	-176.2	0	113.5	E348 C351 D352 H355 T361 I385 M386	E348-K388 HydrophobicContact CG-CD 4.44Å; E348-K388 IonicContact OE1-NZ 3.73Å; E348-K388 PolarHBondContact OE1-NZ 3.49Å; C351-K388 HydrophobicContact CB-CB 3.86Å; C351-K388 HydrophobicContact CB-CD 4.33Å; C351-K388 PolarHBondContact SG-O 3.48Å; C351-K388 VanDerWaalsContact SG-O 3.39Å; D352-K388 WeakPolarHBondContact OD1-CD 3.39Å; D352-K388 VanDerWaalsContact OD1-CE 3.26Å; D352-K388 WeakPolarHBondContact OD1-CE 3.36Å; D352-K388 IonicContact OD1-NZ 3.55Å; D352-K388 PolarHBondContact OD1-NZ 3.22Å; D352-K388 IonicContact OD2-NZ 2.7Å; D352-K388 PolarHBondContact OD2-NZ 3.2Å; H355-K388 PolarHBondContact CE1-O 3.04Å; H355-K388 PolarHBondContact NE2-O 3.13Å; T361-K388 PolarHBondContact OG1-O 3.44Å; I385-K388 HydrophobicContact CB-CB 4.41Å; I385-K388 HydrophobicContact CB-CD 4.11Å; I385-K388 HydrophobicContact CB-CG 4.15Å; I385-K388 HydrophobicContact CG2-CD 4.15Å; I385-K388 WeakPolarHBondContact O-CB 3.3Å; I385-K388 PolarHBondContact O-N 3.39Å; M386-K388 VanDerWaalsContact C-N 3.27Å; M386-K388 PolarHBondContact O-N 3.36Å
389	I	98.9	Very high	98.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.142	C	C	.	.			trans	-89.9	117.8	175.5	-56.7	174.2	0	0	0	109.5	K256 L347 V363 M386 H387 I391 V392	K256-I389 VanDerWaalsContact CE-O 3.28Å; K256-I389 WeakPolarHBondContact CE-O 3.49Å; K256-I389 PolarHBondContact NZ-O 3.08Å; L347-I389 HydrophobicContact CD1-CD1 4.37Å; L347-I389 HydrophobicContact CD1-CG1 4.3Å; L347-I389 HydrophobicContact CD2-CD1 4.18Å; V363-I389 HydrophobicContact CB-CD1 4.36Å; V363-I389 HydrophobicContact CB-CG1 4.39Å; V363-I389 HydrophobicContact CB-CG2 3.65Å; V363-I389 HydrophobicContact CG1-CD1 4.2Å; V363-I389 HydrophobicContact CG2-CB 4.4Å; V363-I389 HydrophobicContact CG2-CG1 4.14Å; V363-I389 HydrophobicContact CG2-CG2 3.69Å; M386-I389 PolarHBondContact O-N 2.84Å; H387-I389 VanDerWaalsContact C-N 3.29Å; I389-I391 WeakPolarHBondContact CG2-O 3.3Å; I389-V392 HydrophobicContact CB-CG2 4.16Å; I389-V392 HydrophobicContact CD1-CG2 4.39Å; I389-V392 HydrophobicContact CG2-CB 4.42Å; I389-V392 HydrophobicContact CG2-CG2 3.51Å
390	D	98.9	Very high	98.7	Very high	43 Å²	43	27.4 Å²	27.4	23%	0.23	14%	0.143	C	C	.	.	S	Bend	trans	-77	-42.3	-179.9	-59.1	-70	0	0	0	111.5	H355 L360 T361 S409	H355-D390 IonicContact CD2-OD2 2.68Å; H355-D390 IonicContact CE1-OD2 2.76Å; H355-D390 IonicContact NE2-OD1 3.56Å; H355-D390 IonicContact NE2-OD2 3.56Å; H355-D390 PolarHBondContact NE2-OD2 3.27Å; L360-D390 HydrophobicContact CB-CB 4.4Å; L360-D390 HydrophobicContact CD2-CB 4.15Å; T361-D390 PolarHBondContact N-OD2 3.48Å; T361-D390 PolarHBondContact OG1-N 2.69Å; T361-D390 PolarHBondContact OG1-OD2 3.33Å; D390-S409 VanDerWaalsContact O-CB 3.29Å; D390-S409 WeakPolarHBondContact O-CB 3.26Å; D390-S409 PolarHBondContact O-OG 3.46Å
391	I	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.4	-179.5	-48.8	162.2	0	0	0	108.1	L276 T361 F362 V363 I389 I407 L413	L276-I391 HydrophobicContact CD1-CD1 3.56Å; T361-I391 PolarHBondContact O-N 3.45Å; F362-I391 HydrophobicContact CD2-CB 4.05Å; F362-I391 HydrophobicContact CD2-CD1 4.07Å; F362-I391 HydrophobicContact CD2-CG2 3.75Å; F362-I391 HydrophobicContact CE2-CG2 3.92Å; V363-I391 PolarHBondContact N-O 2.89Å; I389-I391 WeakPolarHBondContact CG2-O 3.3Å; I391-I407 HydrophobicContact CG2-CB 4.31Å; I391-L413 HydrophobicContact CD1-CD1 3.67Å; I391-L413 HydrophobicContact CD1-CD2 4.26Å; I391-L413 HydrophobicContact CG1-CD1 3.68Å; I391-L413 HydrophobicContact CG1-CD2 4.1Å
392	V	98.9	Very high	98.7	Very high	3 Å²	3	29 Å²	29	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.2	169.2	-179	0	0	0	0	108.2	V363 E365 I389 I407 A408	V363-V392 WeakPolarHBondContact O-CA 3.46Å; E365-V392 HydrophobicContact CB-CG1 4.08Å; E365-V392 HydrophobicContact CG-CG1 4.1Å; I389-V392 HydrophobicContact CB-CG2 4.16Å; I389-V392 HydrophobicContact CD1-CG2 4.39Å; I389-V392 HydrophobicContact CG2-CB 4.42Å; I389-V392 HydrophobicContact CG2-CG2 3.51Å; V392-I407 CarbonylContact O-C 3.57Å; V392-I407 WeakPolarHBondContact O-CA 3.41Å; V392-A408 PolarHBondContact N-O 2.83Å; V392-A408 PolarHBondContact O-N 2.74Å
393	S	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146	161.2	96.6	0	0	0	0	110.7	N269 V363 D364 E365 Y406	N269-S393 WeakPolarHBondContact OD1-CB 3.41Å; N269-S393 PolarHBondContact OD1-OG 2.92Å; V363-S393 PolarHBondContact O-N 3.18Å; D364-S393 WeakPolarHBondContact CA-OG 3.1Å; E365-S393 PolarHBondContact N-O 2.97Å; S393-Y406 WeakPolarHBondContact CA-O 3.19Å
394	G	98.8	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	165.7	-179.8	0	0	0	0	0	112.9	C265 G405 Y406	C265-G394 PolarHBondContact SG-O 3.08Å; G394-G405 CarbonylContact O-C 3.5Å; G394-G405 VanDerWaalsContact O-CA 3.28Å; G394-G405 WeakPolarHBondContact O-CA 3.36Å; G394-Y406 PolarHBondContact N-O 3.22Å; G394-Y406 WeakPolarHBondContact O-CD1 3.15Å; G394-Y406 PolarHBondContact O-N 2.91Å
395	T	98.9	Very high	98.7	Very high	14 Å²	14	21.1 Å²	21.1	9%	0.086	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.3	179.6	-169.8	0	0	0	0	112.2	V366 G397 K398 F400 G404	V366-T395 HydrophobicContact CB-CG2 4.34Å; V366-T395 HydrophobicContact CG1-CG2 3.69Å; V366-T395 HydrophobicContact CG2-CG2 4.43Å; T395-G397 PolarHBondContact OG1-N 3.34Å; T395-K398 HydrophobicContact CG2-CB 3.77Å; T395-K398 HydrophobicContact CG2-CD 3.83Å; T395-K398 HydrophobicContact CG2-CG 3.62Å; T395-F400 VanDerWaalsContact O-CD2 3.29Å; T395-F400 WeakPolarHBondContact O-CD2 3.49Å; T395-G404 PolarHBondContact OG1-O 2.99Å
396	L	98.9	Very high	98.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-89.2	-7.5	168.1	-55.8	176.8	0	0	0	112.5	L246 L250 F400 C402 G404 Y406 A438	L246-L396 HydrophobicContact CD2-CD1 3.7Å; L250-L396 HydrophobicContact CD2-CD2 4.4Å; L396-F400 HydrophobicContact CD2-CD2 4.14Å; L396-F400 WeakPolarHBondContact O-CB 3.42Å; L396-C402 HydrophobicContact CB-CB 4.47Å; L396-C402 CarbonylContact O-C 3.54Å; L396-C402 WeakPolarHBondContact O-CA 2.94Å; L396-C402 WeakPolarHBondContact O-CB 3.25Å; L396-C402 PolarHBondContact O-N 3.45Å; L396-G404 PolarHBondContact N-O 3.14Å; L396-Y406 HydrophobicContact CD2-CD1 4.08Å; L396-Y406 HydrophobicContact CD2-CE1 4.18Å; L396-Y406 HydrophobicContact CG-CD1 4.41Å; L396-A438 HydrophobicContact CB-CB 4.46Å; L396-A438 HydrophobicContact CD1-CB 3.96Å; L396-A438 HydrophobicContact CD2-CB 4.3Å; L396-A438 HydrophobicContact CG-CB 4.47Å
397	G	98.4	Very high	98.8	Very high	32 Å²	32	20 Å²	20	33%	0.33	12%	0.117	S	C	.	.	S	Bend	trans	-102	12.2	-169.4	0	0	0	0	0	117	T395 C402	T395-G397 PolarHBondContact OG1-N 3.34Å; G397-C402 WeakPolarHBondContact CA-O 3.32Å
398	K	98.8	Very high	98.8	Very high	36 Å²	36	13.5 Å²	13.5	16%	0.157	9%	0.087	C	C	.	.	S	Bend	trans	-116.1	-107.6	176.8	-65.7	-176.7	177.8	155.5	0	110.7	N204 Y206 V366 H367 T395 F400 G401	N204-K398 HydrophobicContact CB-CB 4.3Å; N204-K398 HydrophobicContact CB-CD 4.2Å; N204-K398 HydrophobicContact CB-CG 3.79Å; N204-K398 CarbonylContact O-C 3.55Å; N204-K398 WeakPolarHBondContact O-CA 3.47Å; N204-K398 WeakPolarHBondContact O-CB 3.29Å; Y206-K398 HydrophobicContact CD2-CB 4.13Å; Y206-K398 HydrophobicContact CE2-CB 3.87Å; Y206-K398 HydrophobicContact CE2-CD 4.2Å; Y206-K398 HydrophobicContact CE2-CG 4.41Å; V366-K398 HydrophobicContact CG1-CD 3.73Å; H367-K398 PolarHBondContact CE1-NZ 3.45Å; H367-K398 PolarHBondContact NE2-NZ 3.5Å; T395-K398 HydrophobicContact CG2-CB 3.77Å; T395-K398 HydrophobicContact CG2-CD 3.83Å; T395-K398 HydrophobicContact CG2-CG 3.62Å; K398-F400 PolarHBondContact O-N 3.04Å; K398-F400 VanDerWaalsContact O-N 3.12Å; K398-G401 WeakPolarHBondContact O-CA 3.11Å; K398-G401 PolarHBondContact O-N 2.88Å
399	A	98.8	Very high	98.8	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.017	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	179.6	0	0	0	0	0	113.2	Y206 L207 M209 V369 L371 G401 L445	Y206-A399 HydrophobicContact CD2-CB 4.34Å; L207-A399 HydrophobicContact CD1-CB 4.41Å; M209-A399 VanDerWaalsContact CB-O 3.31Å; M209-A399 WeakPolarHBondContact CB-O 3.22Å; M209-A399 WeakPolarHBondContact CG-O 3.48Å; V369-A399 WeakPolarHBondContact O-CB 3.46Å; L371-A399 HydrophobicContact CD1-CB 4.49Å; L371-A399 HydrophobicContact CD2-CB 3.98Å; L371-A399 HydrophobicContact CG-CB 3.87Å; A399-G401 VanDerWaalsContact C-N 3.32Å; A399-G401 PolarHBondContact O-N 3.4Å; A399-L445 HydrophobicContact CB-CD1 4.44Å
400	F	98.9	Very high	98.8	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.4	175.5	-61.6	-54.8	0	0	0	114.6	L253 V369 T395 L396 K398 C402 S441 V442 L445	L253-F400 HydrophobicContact CD2-CZ 4.09Å; V369-F400 HydrophobicContact CB-CE2 3.89Å; V369-F400 HydrophobicContact CB-CZ 4.2Å; V369-F400 HydrophobicContact CG2-CD2 4.41Å; V369-F400 HydrophobicContact CG2-CE2 3.82Å; T395-F400 VanDerWaalsContact O-CD2 3.29Å; T395-F400 WeakPolarHBondContact O-CD2 3.49Å; L396-F400 HydrophobicContact CD2-CD2 4.14Å; L396-F400 WeakPolarHBondContact O-CB 3.42Å; K398-F400 PolarHBondContact O-N 3.04Å; K398-F400 VanDerWaalsContact O-N 3.12Å; F400-C402 VanDerWaalsContact C-N 3.3Å; F400-C402 PolarHBondContact O-N 3.25Å; F400-S441 VanDerWaalsContact C-OG 3.28Å; F400-S441 VanDerWaalsContact CA-OG 3.24Å; F400-S441 WeakPolarHBondContact CA-OG 3.38Å; F400-S441 VanDerWaalsContact O-CB 3.28Å; F400-S441 WeakPolarHBondContact O-CB 3.43Å; F400-S441 PolarHBondContact O-OG 3.48Å; F400-V442 HydrophobicContact CD1-CG2 3.81Å; F400-V442 HydrophobicContact CD2-CG2 4.4Å; F400-V442 HydrophobicContact CE1-CB 4.23Å; F400-V442 HydrophobicContact CE1-CG2 3.67Å; F400-V442 HydrophobicContact CE2-CG2 4.26Å; F400-V442 HydrophobicContact CG-CG2 4.22Å; F400-V442 HydrophobicContact CZ-CG2 3.91Å; F400-L445 HydrophobicContact CD1-CD1 3.61Å; F400-L445 HydrophobicContact CD1-CG 4.41Å; F400-L445 HydrophobicContact CE1-CB 4.28Å; F400-L445 HydrophobicContact CE1-CD1 3.8Å
401	G	98.3	Very high	98.8	Very high	20 Å²	20	15.1 Å²	15.1	21%	0.206	11%	0.108	C	C	.	.			trans	69.4	14.2	169.3	0	0	0	0	0	117.1	G210 K398 A399	G210-G401 VanDerWaalsContact CA-O 3.25Å; G210-G401 WeakPolarHBondContact CA-O 3.36Å; K398-G401 WeakPolarHBondContact O-CA 3.11Å; K398-G401 PolarHBondContact O-N 2.88Å; A399-G401 VanDerWaalsContact C-N 3.32Å; A399-G401 PolarHBondContact O-N 3.4Å
402	C	98.6	Very high	98.8	Very high	27 Å²	27	19.5 Å²	19.5	18%	0.182	14%	0.139	C	C	.	.	S	Bend	trans	-114.5	-139.3	-177.8	-65.3	0	0	0	0	111.3	L396 G397 F400 A438	L396-C402 HydrophobicContact CB-CB 4.47Å; L396-C402 CarbonylContact O-C 3.54Å; L396-C402 WeakPolarHBondContact O-CA 2.94Å; L396-C402 WeakPolarHBondContact O-CB 3.25Å; L396-C402 PolarHBondContact O-N 3.45Å; G397-C402 WeakPolarHBondContact CA-O 3.32Å; F400-C402 VanDerWaalsContact C-N 3.3Å; F400-C402 PolarHBondContact O-N 3.25Å; C402-A438 HydrophobicContact CB-CB 4.03Å; C402-A438 PolarHBondContact SG-N 3.43Å; C402-A438 VanDerWaalsContact SG-N 3.41Å
403	V	98.8	Very high	98.8	Very high	73 Å²	73	20.4 Å²	20.4	44%	0.442	14%	0.143	S	C	.	.			trans	-148.4	146	169.6	64.3	0	0	0	0	109.7	V434	V403-V434 HydrophobicContact CG1-CG1 3.6Å; V403-V434 HydrophobicContact CG1-CG2 4.32Å; V403-V434 WeakPolarHBondContact O-CG1 3.27Å
404	G	98.8	Very high	98.8	Very high	1 Å²	1	21 Å²	21	1%	0.01	15%	0.147	C	C	.	.			trans	137.9	168.2	-176.4	0	0	0	0	0	112.5	S263 T395 L396	S263-G404 WeakPolarHBondContact O-CA 3.42Å; T395-G404 PolarHBondContact OG1-O 2.99Å; L396-G404 PolarHBondContact N-O 3.14Å
405	G	98.8	Very high	98.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	167	168.9	0	0	0	0	0	110.4	V261 F262 S264 G394	V261-G405 CarbonylContact C-O 3.45Å; V261-G405 WeakPolarHBondContact CA-O 3.33Å; F262-G405 PolarHBondContact N-O 3.46Å; F262-G405 PolarHBondContact O-N 2.96Å; S264-G405 VanDerWaalsContact C-CA 3.46Å; G394-G405 CarbonylContact O-C 3.5Å; G394-G405 VanDerWaalsContact O-CA 3.28Å; G394-G405 WeakPolarHBondContact O-CA 3.36Å
406	Y	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163	174.1	64.1	-90.3	0	0	0	111.3	L250 H254 L260 V369 S393 G394 L396	L250-Y406 HydrophobicContact CD1-CD1 3.74Å; L250-Y406 HydrophobicContact CD1-CD2 4.19Å; L250-Y406 HydrophobicContact CD1-CE1 4.32Å; L250-Y406 HydrophobicContact CD1-CG 3.67Å; L250-Y406 HydrophobicContact CD2-CD1 3.96Å; L250-Y406 HydrophobicContact CD2-CD2 4.44Å; L250-Y406 HydrophobicContact CD2-CE1 3.66Å; L250-Y406 HydrophobicContact CD2-CE2 4.2Å; L250-Y406 HydrophobicContact CD2-CG 4.35Å; L250-Y406 HydrophobicContact CG-CD1 4.47Å; L250-Y406 HydrophobicContact CG-CG 4.5Å; H254-Y406 AromaticContact CD2-CE2 3.71Å; H254-Y406 AromaticContact NE2-CE2 3.48Å; H254-Y406 WeakPolarHBondContact NE2-CE2 3.49Å; H254-Y406 AromaticContact NE2-CZ 3.56Å; H254-Y406 PolarHBondContact NE2-OH 3.01Å; L260-Y406 CarbonylContact O-C 3.47Å; L260-Y406 WeakPolarHBondContact O-CA 3.24Å; L260-Y406 VanDerWaalsContact O-CB 3.32Å; L260-Y406 WeakPolarHBondContact O-CB 3.45Å; V369-Y406 VanDerWaalsContact CG1-OH 3.24Å; V369-Y406 WeakPolarHBondContact CG1-OH 3.36Å; S393-Y406 WeakPolarHBondContact CA-O 3.19Å; G394-Y406 PolarHBondContact N-O 3.22Å; G394-Y406 WeakPolarHBondContact O-CD1 3.15Å; G394-Y406 PolarHBondContact O-N 2.91Å; L396-Y406 HydrophobicContact CD2-CD1 4.08Å; L396-Y406 HydrophobicContact CD2-CE1 4.18Å; L396-Y406 HydrophobicContact CG-CD1 4.41Å
407	I	98.9	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.9	157.9	67	172.5	0	0	0	109.9	A259 L260 F262 A268 T272 I391 V392 L413 V417	A259-I407 CarbonylContact C-O 3.6Å; A259-I407 WeakPolarHBondContact CA-O 3.32Å; A259-I407 VanDerWaalsContact CB-O 3.29Å; A259-I407 WeakPolarHBondContact CB-O 3.47Å; L260-I407 HydrophobicContact CB-CG1 4.04Å; L260-I407 PolarHBondContact N-O 3.29Å; L260-I407 PolarHBondContact O-N 3.36Å; F262-I407 HydrophobicContact CE2-CG1 4.22Å; F262-I407 HydrophobicContact CE2-CG2 4.45Å; A268-I407 HydrophobicContact CB-CG2 4.36Å; T272-I407 HydrophobicContact CG2-CD1 3.95Å; T272-I407 HydrophobicContact CG2-CG2 4.31Å; T272-I407 WeakPolarHBondContact OG1-CG2 3.47Å; I391-I407 HydrophobicContact CG2-CB 4.31Å; V392-I407 CarbonylContact O-C 3.57Å; V392-I407 WeakPolarHBondContact O-CA 3.41Å; I407-L413 HydrophobicContact CD1-CD2 4.29Å; I407-V417 HydrophobicContact CD1-CB 4.03Å; I407-V417 HydrophobicContact CD1-CG1 3.98Å; I407-V417 HydrophobicContact CD1-CG2 3.91Å
408	A	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.8	168.3	0	0	0	0	0	109.8	H254 K256 G258 A259 V392	H254-A408 HydrophobicContact CB-CB 3.93Å; K256-A408 HydrophobicContact CB-CB 4.15Å; K256-A408 HydrophobicContact CG-CB 4.06Å; G258-A408 WeakPolarHBondContact O-CA 3.19Å; A259-A408 HydrophobicContact CB-CB 4.03Å; V392-A408 PolarHBondContact N-O 2.83Å; V392-A408 PolarHBondContact O-N 2.74Å
409	S	98.9	Very high	98.8	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.028	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	-167.3	-175.2	-169.2	0	0	0	0	110.7	D257 G258 D390	D257-S409 PolarHBondContact N-O 3.28Å; G258-S409 PolarHBondContact N-O 2.95Å; G258-S409 VanDerWaalsContact N-O 3.12Å; G258-S409 PolarHBondContact O-N 3.07Å; D390-S409 VanDerWaalsContact O-CB 3.29Å; D390-S409 WeakPolarHBondContact O-CB 3.26Å; D390-S409 PolarHBondContact O-OG 3.46Å
410	S	98.9	Very high	98.8	Very high	51 Å²	51	36.5 Å²	36.5	36%	0.357	22%	0.216	S	C	.	.			trans	-58.1	151.5	170.7	69.1	0	0	0	0	111.8	D257 S412 L413 V414	D257-S410 WeakPolarHBondContact OD2-CA 3.4Å; S410-S412 VanDerWaalsContact C-N 3.27Å; S410-S412 PolarHBondContact O-N 3.01Å; S410-L413 PolarHBondContact O-N 3.24Å; S410-L413 WeakPolarHBondContact OG-CB 3.44Å; S410-L413 PolarHBondContact OG-N 3.05Å; S410-V414 PolarHBondContact O-N 3.16Å
411	A	98.8	Very high	98.8	Very high	52 Å²	52	36.4 Å²	36.4	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-58.8	-42.2	-175.8	0	0	0	0	0	111.5	D257 V414 D415	D257-A411 HydrophobicContact CB-CB 3.89Å; D257-A411 PolarHBondContact OD2-N 3.28Å; A411-V414 PolarHBondContact O-N 3.25Å; A411-D415 VanDerWaalsContact O-CB 3.31Å; A411-D415 WeakPolarHBondContact O-CB 3.46Å; A411-D415 PolarHBondContact O-N 3.21Å
412	S	98.7	Very high	98.8	Very high	92 Å²	92	38.1 Å²	38.1	64%	0.643	23%	0.228	S	C	*	.	H	α-helix	trans	-66.3	-39.1	179.9	-58.5	0	0	0	0	112.8	S410 T416	S410-S412 VanDerWaalsContact C-N 3.27Å; S410-S412 PolarHBondContact O-N 3.01Å; S412-T416 WeakPolarHBondContact O-CB 3.28Å; S412-T416 PolarHBondContact O-N 2.95Å; S412-T416 PolarHBondContact O-OG1 3.22Å
413	L	98.8	Very high	98.7	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.115	23%	0.233	C	C	.	.	H	α-helix	trans	-67.9	-47.6	177.1	-172.3	150	0	0	0	110.5	L276 L360 I391 I407 S410 D415 T416 V417	L276-L413 HydrophobicContact CD1-CD1 4.29Å; L276-L413 HydrophobicContact CD1-CD2 4.36Å; L276-L413 HydrophobicContact CD2-CG 4.29Å; L360-L413 HydrophobicContact CD1-CD1 4.49Å; I391-L413 HydrophobicContact CD1-CD1 3.67Å; I391-L413 HydrophobicContact CD1-CD2 4.26Å; I391-L413 HydrophobicContact CG1-CD1 3.68Å; I391-L413 HydrophobicContact CG1-CD2 4.1Å; I407-L413 HydrophobicContact CD1-CD2 4.29Å; S410-L413 PolarHBondContact O-N 3.24Å; S410-L413 WeakPolarHBondContact OG-CB 3.44Å; S410-L413 PolarHBondContact OG-N 3.05Å; L413-D415 VanDerWaalsContact C-N 3.29Å; L413-D415 PolarHBondContact O-N 2.91Å; L413-T416 WeakPolarHBondContact O-CB 3.21Å; L413-T416 PolarHBondContact O-N 3.49Å; L413-T416 VanDerWaalsContact O-N 3.17Å; L413-V417 HydrophobicContact CD2-CG2 4.06Å; L413-V417 WeakPolarHBondContact O-CG2 3.28Å; L413-V417 PolarHBondContact O-N 2.97Å
414	V	98.9	Very high	98.7	Very high	12 Å²	12	35.4 Å²	35.4	7%	0.073	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-44.2	176.3	164.9	0	0	0	0	111	L260 S410 A411 V417 R418	L260-V414 HydrophobicContact CB-CG1 4.07Å; S410-V414 PolarHBondContact O-N 3.16Å; A411-V414 PolarHBondContact O-N 3.25Å; V414-V417 PolarHBondContact O-N 3.4Å; V414-R418 VanDerWaalsContact O-CB 3.27Å; V414-R418 WeakPolarHBondContact O-CB 3.31Å; V414-R418 PolarHBondContact O-N 2.89Å
415	D	98.8	Very high	98.7	Very high	66 Å²	66	37.6 Å²	37.6	35%	0.353	23%	0.226	S	C	.	.	H	α-helix	trans	-67.7	-36.2	178.6	-161.1	-1.2	0	0	0	112.6	A411 L413 R418 S419	A411-D415 VanDerWaalsContact O-CB 3.31Å; A411-D415 WeakPolarHBondContact O-CB 3.46Å; A411-D415 PolarHBondContact O-N 3.21Å; L413-D415 VanDerWaalsContact C-N 3.29Å; L413-D415 PolarHBondContact O-N 2.91Å; D415-R418 PolarHBondContact O-N 2.99Å; D415-R418 IonicContact OD1-CZ 3.14Å; D415-R418 IonicContact OD1-NE 3.07Å; D415-R418 PolarHBondContact OD1-NE 3.13Å; D415-R418 IonicContact OD1-NH1 3.43Å; D415-R418 IonicContact OD1-NH2 2.58Å; D415-R418 PolarHBondContact OD1-NH2 3Å; D415-R418 IonicContact OD2-NH2 3.07Å; D415-R418 PolarHBondContact OD2-NH2 3.36Å; D415-S419 WeakPolarHBondContact O-CB 3.36Å; D415-S419 PolarHBondContact O-N 3.19Å; D415-S419 PolarHBondContact O-OG 3.24Å; D415-S419 PolarHBondContact OD1-OG 3.01Å
416	T	98.8	Very high	98.7	Very high	49 Å²	49	45.6 Å²	45.6	30%	0.301	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-51.7	172.3	-59.2	0	0	0	0	110.1	M279 S412 L413 R418 S419 F420	M279-T416 HydrophobicContact CE-CG2 3.82Å; M279-T416 HydrophobicContact SD-CG2 4Å; S412-T416 WeakPolarHBondContact O-CB 3.28Å; S412-T416 PolarHBondContact O-N 2.95Å; S412-T416 PolarHBondContact O-OG1 3.22Å; L413-T416 WeakPolarHBondContact O-CB 3.21Å; L413-T416 PolarHBondContact O-N 3.49Å; L413-T416 VanDerWaalsContact O-N 3.17Å; T416-R418 PolarHBondContact O-N 2.65Å; T416-S419 PolarHBondContact O-N 3.49Å; T416-S419 VanDerWaalsContact O-N 3.16Å; T416-F420 HydrophobicContact CG2-CD2 4.07Å; T416-F420 VanDerWaalsContact O-CD2 3.25Å; T416-F420 WeakPolarHBondContact O-CD2 3.49Å; T416-F420 PolarHBondContact O-N 2.78Å
417	V	98.8	Very high	98.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-44.8	178.3	179.6	0	0	0	0	110.8	L260 F262 T272 L276 I407 L413 V414 S419 F420 A421	L260-V417 HydrophobicContact CD2-CB 4.29Å; L260-V417 HydrophobicContact CD2-CG1 3.99Å; F262-V417 HydrophobicContact CZ-CG1 3.75Å; T272-V417 HydrophobicContact CG2-CG2 3.97Å; L276-V417 HydrophobicContact CD2-CG2 4.29Å; L276-V417 HydrophobicContact CG-CG2 4.43Å; I407-V417 HydrophobicContact CD1-CB 4.03Å; I407-V417 HydrophobicContact CD1-CG1 3.98Å; I407-V417 HydrophobicContact CD1-CG2 3.91Å; L413-V417 HydrophobicContact CD2-CG2 4.06Å; L413-V417 WeakPolarHBondContact O-CG2 3.28Å; L413-V417 PolarHBondContact O-N 2.97Å; V414-V417 PolarHBondContact O-N 3.4Å; V417-S419 PolarHBondContact O-N 3.4Å; V417-F420 PolarHBondContact O-N 3.08Å; V417-A421 HydrophobicContact CG1-CB 3.84Å; V417-A421 WeakPolarHBondContact O-CB 3.47Å; V417-A421 PolarHBondContact O-N 3.35Å
418	R	98.8	Very high	98.7	Very high	111 Å²	111	52.6 Å²	52.6	42%	0.419	30%	0.304	S	S	.	.	H	α-helix	trans	-55	-36.2	176.1	-178.1	174.9	65.6	86	-12.3	113	L260 V414 D415 T416 F424	L260-R418 HydrophobicContact CD1-CB 3.94Å; L260-R418 HydrophobicContact CD1-CG 3.97Å; L260-R418 HydrophobicContact CD2-CB 3.87Å; V414-R418 VanDerWaalsContact O-CB 3.27Å; V414-R418 WeakPolarHBondContact O-CB 3.31Å; V414-R418 PolarHBondContact O-N 2.89Å; D415-R418 PolarHBondContact O-N 2.99Å; D415-R418 IonicContact OD1-CZ 3.14Å; D415-R418 IonicContact OD1-NE 3.07Å; D415-R418 PolarHBondContact OD1-NE 3.13Å; D415-R418 IonicContact OD1-NH1 3.43Å; D415-R418 IonicContact OD1-NH2 2.58Å; D415-R418 PolarHBondContact OD1-NH2 3Å; D415-R418 IonicContact OD2-NH2 3.07Å; D415-R418 PolarHBondContact OD2-NH2 3.36Å; T416-R418 PolarHBondContact O-N 2.65Å; R418-F424 HydrophobicContact CB-CE1 4.35Å; R418-F424 HydrophobicContact CG-CD1 4.46Å; R418-F424 HydrophobicContact CG-CE1 3.65Å; R418-F424 HydrophobicContact CG-CZ 4.02Å; R418-F424 WeakPolarHBondContact O-CD1 3.48Å
419	S	98.7	Very high	98.6	Very high	59 Å²	59	53.3 Å²	53.3	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-90.3	-22.1	-173	-62.2	0	0	0	0	114	D415 T416 V417 I425	D415-S419 WeakPolarHBondContact O-CB 3.36Å; D415-S419 PolarHBondContact O-N 3.19Å; D415-S419 PolarHBondContact O-OG 3.24Å; D415-S419 PolarHBondContact OD1-OG 3.01Å; T416-S419 PolarHBondContact O-N 3.49Å; T416-S419 VanDerWaalsContact O-N 3.16Å; V417-S419 PolarHBondContact O-N 3.4Å; S419-I425 WeakPolarHBondContact O-CD1 2.97Å
420	F	98.7	Very high	98.6	Very high	125 Å²	125	54.2 Å²	54.2	55%	0.548	31%	0.313	S	S	.	.	H	α-helix	trans	-122.5	-19.6	-172.4	-67	-82.2	0	0	0	114.8	T275 M279 T416 V417 A422	T275-F420 HydrophobicContact CG2-CB 3.78Å; M279-F420 HydrophobicContact CE-CB 4.36Å; M279-F420 HydrophobicContact CE-CD1 4.05Å; M279-F420 HydrophobicContact CE-CD2 3.6Å; M279-F420 HydrophobicContact CE-CE1 4.24Å; M279-F420 HydrophobicContact CE-CE2 3.83Å; M279-F420 HydrophobicContact CE-CG 3.74Å; M279-F420 HydrophobicContact CE-CZ 4.15Å; M279-F420 HydrophobicContact SD-CB 3.65Å; M279-F420 HydrophobicContact SD-CD1 4.26Å; M279-F420 HydrophobicContact SD-CD2 3.99Å; M279-F420 HydrophobicContact SD-CG 3.7Å; T416-F420 HydrophobicContact CG2-CD2 4.07Å; T416-F420 VanDerWaalsContact O-CD2 3.25Å; T416-F420 WeakPolarHBondContact O-CD2 3.49Å; T416-F420 PolarHBondContact O-N 2.78Å; V417-F420 PolarHBondContact O-N 3.08Å; F420-A422 PolarHBondContact O-N 2.84Å; F420-A422 VanDerWaalsContact O-N 3.16Å
421	A	98.6	Very high	98.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.308	C	S	.	.			trans	-74.3	108.6	-176.6	0	0	0	0	0	112.2	T275 V417 G423 F424 I425	T275-A421 WeakPolarHBondContact OG1-CA 3.47Å; V417-A421 HydrophobicContact CG1-CB 3.84Å; V417-A421 WeakPolarHBondContact O-CB 3.47Å; V417-A421 PolarHBondContact O-N 3.35Å; A421-G423 VanDerWaalsContact C-N 3.3Å; A421-G423 PolarHBondContact O-N 2.93Å; A421-F424 HydrophobicContact CB-CB 4.06Å; A421-F424 WeakPolarHBondContact O-CB 3.46Å; A421-F424 PolarHBondContact O-N 3.27Å; A421-I425 WeakPolarHBondContact O-CG1 3.39Å; A421-I425 PolarHBondContact O-N 3.06Å
422	A	98.4	Very high	98.6	Very high	57 Å²	57	51.4 Å²	51.4	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-40	-179.7	0	0	0	0	0	113.1	F420 F424 I425 F426	F420-A422 PolarHBondContact O-N 2.84Å; F420-A422 VanDerWaalsContact O-N 3.16Å; A422-F424 PolarHBondContact O-N 3.32Å; A422-I425 PolarHBondContact O-N 3.35Å; A422-F426 HydrophobicContact CB-CD2 4.03Å; A422-F426 HydrophobicContact CB-CE2 4.38Å; A422-F426 PolarHBondContact O-N 3.48Å
423	G	97.8	Very high	98.6	Very high	29 Å²	29	48.9 Å²	48.9	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-14	177	0	0	0	0	0	114.7	A421 T427	A421-G423 VanDerWaalsContact C-N 3.3Å; A421-G423 PolarHBondContact O-N 2.93Å; G423-T427 VanDerWaalsContact O-CG2 3.31Å; G423-T427 WeakPolarHBondContact O-CG2 3.28Å
424	F	98.8	Very high	98.6	Very high	14 Å²	14	49 Å²	49	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-92.3	-44.5	169.5	175.3	-97.9	0	0	0	112.2	R234 L260 V261 F262 R418 A421 A422	R234-F424 HydrophobicContact CB-CE1 4.33Å; R234-F424 HydrophobicContact CB-CZ 4.13Å; R234-F424 HydrophobicContact CG-CE1 4.26Å; R234-F424 HydrophobicContact CG-CE2 4Å; R234-F424 HydrophobicContact CG-CZ 3.67Å; R234-F424 VanDerWaalsContact NH1-CE2 3.34Å; L260-F424 HydrophobicContact CD1-CD2 4.26Å; L260-F424 HydrophobicContact CD1-CE1 4.36Å; L260-F424 HydrophobicContact CD1-CE2 3.46Å; L260-F424 VanDerWaalsContact CD1-CE2 3.46Å; L260-F424 HydrophobicContact CD1-CZ 3.53Å; L260-F424 HydrophobicContact CD2-CD2 4Å; L260-F424 HydrophobicContact CD2-CE2 4.04Å; L260-F424 HydrophobicContact CD2-CG 4.33Å; L260-F424 HydrophobicContact CD2-CZ 4.43Å; L260-F424 HydrophobicContact CG-CD2 3.99Å; L260-F424 HydrophobicContact CG-CE2 3.64Å; L260-F424 HydrophobicContact CG-CZ 4.18Å; V261-F424 WeakPolarHBondContact O-CE2 3.27Å; F262-F424 HydrophobicContact CD1-CB 4.09Å; F262-F424 HydrophobicContact CD1-CD2 4.25Å; F262-F424 HydrophobicContact CE1-CB 3.64Å; F262-F424 HydrophobicContact CE1-CD2 4.17Å; F262-F424 HydrophobicContact CE1-CG 4.33Å; F262-F424 HydrophobicContact CZ-CB 4.36Å; F262-F424 HydrophobicContact CZ-CD2 4.43Å; R418-F424 HydrophobicContact CB-CE1 4.35Å; R418-F424 HydrophobicContact CG-CD1 4.46Å; R418-F424 HydrophobicContact CG-CE1 3.65Å; R418-F424 HydrophobicContact CG-CZ 4.02Å; R418-F424 WeakPolarHBondContact O-CD1 3.48Å; A421-F424 HydrophobicContact CB-CB 4.06Å; A421-F424 WeakPolarHBondContact O-CB 3.46Å; A421-F424 PolarHBondContact O-N 3.27Å; A422-F424 PolarHBondContact O-N 3.32Å
425	I	98.7	Very high	98.6	Very high	47 Å²	47	48.4 Å²	48.4	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-76.2	-45	-169	-63.3	166.9	0	0	0	112.1	S419 A421 A422 T427	S419-I425 WeakPolarHBondContact O-CD1 2.97Å; A421-I425 WeakPolarHBondContact O-CG1 3.39Å; A421-I425 PolarHBondContact O-N 3.06Å; A422-I425 PolarHBondContact O-N 3.35Å; I425-T427 VanDerWaalsContact C-N 3.34Å; I425-T427 PolarHBondContact O-N 3.36Å
426	F	98.3	Very high	98.6	Very high	168 Å²	168	45.6 Å²	45.6	74%	0.737	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	39.6	-168.1	-57.1	-68.7	0	0	0	112.6	A422	A422-F426 HydrophobicContact CB-CD2 4.03Å; A422-F426 HydrophobicContact CB-CE2 4.38Å; A422-F426 PolarHBondContact O-N 3.48Å
427	T	98.4	Very high	98.6	Very high	55 Å²	55	43.2 Å²	43.2	34%	0.337	24%	0.238	S	C	.	.	S	Bend	trans	-138.3	149.3	177.6	-171	0	0	0	0	111.1	T233 G423 I425	T233-T427 WeakPolarHBondContact CA-O 3.44Å; T233-T427 WeakPolarHBondContact CB-O 3.44Å; T233-T427 WeakPolarHBondContact CG2-O 3.28Å; G423-T427 VanDerWaalsContact O-CG2 3.31Å; G423-T427 WeakPolarHBondContact O-CG2 3.28Å; I425-T427 VanDerWaalsContact C-N 3.34Å; I425-T427 PolarHBondContact O-N 3.36Å
428	T	98.6	Very high	98.6	Very high	91 Å²	91	43.2 Å²	43.2	56%	0.558	24%	0.238	S	C	*	.	B	Isolated β-bridge	trans	-63.3	137.1	173	-59.2	0	0	0	0	109.6
429	S	98.6	Very high	98.6	Very high	16 Å²	16	38.3 Å²	38.3	11%	0.112	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-69.6	157.5	-178.8	-146.6	0	0	0	0	112.5	A230 G232 R234 G238 H243	A230-S429 WeakPolarHBondContact CB-O 3.45Å; G232-S429 PolarHBondContact O-N 2.91Å; R234-S429 WeakPolarHBondContact CD-OG 3.15Å; G238-S429 VanDerWaalsContact O-CB 3.28Å; G238-S429 WeakPolarHBondContact O-CB 3.41Å; G238-S429 PolarHBondContact O-OG 3.29Å; H243-S429 PolarHBondContact CD2-OG 3.5Å; H243-S429 PolarHBondContact NE2-OG 3.17Å
430	L	98.7	Very high	98.7	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.115	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.3	142.6	176.9	-78.2	176.6	0	0	0	111.4	H243 V261 F262 L435	H243-L430 PolarHBondContact NE2-O 3.43Å; V261-L430 HydrophobicContact CG1-CD1 3.78Å; F262-L430 WeakPolarHBondContact O-CD1 3.07Å; L430-L435 HydrophobicContact CB-CD1 4.35Å; L430-L435 HydrophobicContact CB-CD2 3.95Å; L430-L435 HydrophobicContact CB-CG 4.16Å; L430-L435 HydrophobicContact CD1-CD2 3.89Å
431	P	98.8	Very high	98.7	Very high	36 Å²	36	31.4 Å²	31.4	23%	0.234	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-47.9	129.3	172.2	-35.3	41.2	0	0	0	113.6	A228 M433 V434 L435	A228-P431 WeakPolarHBondContact O-CB 3.29Å; P431-M433 HydrophobicContact CB-CE 4.2Å; P431-M433 HydrophobicContact CB-CG 3.96Å; P431-M433 PolarHBondContact O-N 3.45Å; P431-M433 VanDerWaalsContact O-N 3.16Å; P431-V434 HydrophobicContact CB-CB 4.1Å; P431-V434 HydrophobicContact CB-CG2 3.79Å; P431-V434 HydrophobicContact CG-CG2 4.15Å; P431-V434 WeakPolarHBondContact O-CB 3.42Å; P431-V434 PolarHBondContact O-N 2.86Å; P431-L435 PolarHBondContact O-N 2.86Å
432	P	98.7	Very high	98.7	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-53.3	-35.9	174.3	-29.1	36.6	0	0	0	113.7	F242 V434 L435 A436	F242-P432 HydrophobicContact CD2-CB 3.81Å; F242-P432 HydrophobicContact CE2-CB 4.27Å; P432-V434 PolarHBondContact O-N 3.11Å; P432-L435 PolarHBondContact O-N 2.8Å; P432-A436 WeakPolarHBondContact O-CB 3.34Å; P432-A436 PolarHBondContact O-N 2.83Å
433	M	98.7	Very high	98.7	Very high	38 Å²	38	32.9 Å²	32.9	19%	0.187	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-37.6	176.3	65.6	-179.7	-180	0	0	113.4	I219 A222 L223 A228 P431 A436 G437	I219-M433 WeakPolarHBondContact CG1-O 3.34Å; I219-M433 HydrophobicContact CG2-CB 4.27Å; A222-M433 HydrophobicContact CB-CB 4.14Å; L223-M433 HydrophobicContact CB-CB 4.14Å; L223-M433 HydrophobicContact CB-SD 3.92Å; L223-M433 HydrophobicContact CD1-SD 3.49Å; L223-M433 WeakPolarHBondContact CD1-SD 3.24Å; L223-M433 HydrophobicContact CD2-SD 4.47Å; L223-M433 HydrophobicContact CG-SD 4.13Å; A228-M433 HydrophobicContact CB-CE 4.14Å; P431-M433 HydrophobicContact CB-CE 4.2Å; P431-M433 HydrophobicContact CB-CG 3.96Å; P431-M433 PolarHBondContact O-N 3.45Å; P431-M433 VanDerWaalsContact O-N 3.16Å; M433-A436 PolarHBondContact O-N 3.44Å; M433-G437 PolarHBondContact O-N 2.76Å
434	V	98.8	Very high	98.7	Very high	25 Å²	25	31.5 Å²	31.5	15%	0.152	16%	0.162	C	C	.	.	H	α-helix	trans	-67.2	-42.5	176.4	169.3	0	0	0	0	110.1	V403 P431 P432 A436 G437 A438	V403-V434 HydrophobicContact CG1-CG1 3.6Å; V403-V434 HydrophobicContact CG1-CG2 4.32Å; V403-V434 WeakPolarHBondContact O-CG1 3.27Å; P431-V434 HydrophobicContact CB-CB 4.1Å; P431-V434 HydrophobicContact CB-CG2 3.79Å; P431-V434 HydrophobicContact CG-CG2 4.15Å; P431-V434 WeakPolarHBondContact O-CB 3.42Å; P431-V434 PolarHBondContact O-N 2.86Å; P432-V434 PolarHBondContact O-N 3.11Å; V434-A436 VanDerWaalsContact C-N 3.35Å; V434-G437 PolarHBondContact O-N 3.29Å; V434-A438 WeakPolarHBondContact O-CB 3.24Å; V434-A438 PolarHBondContact O-N 3.24Å
435	L	98.9	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-34.9	179.6	-59.4	174.6	0	0	0	112.4	F242 H243 L246 V261 L430 P431 P432 A438 L439	F242-L435 HydrophobicContact CB-CB 3.83Å; F242-L435 HydrophobicContact CB-CD1 4.38Å; H243-L435 HydrophobicContact CB-CD1 4.29Å; H243-L435 WeakPolarHBondContact CD2-CD1 3.41Å; H243-L435 WeakPolarHBondContact CE1-CD1 3.05Å; H243-L435 VanDerWaalsContact CG-CD1 3.43Å; H243-L435 VanDerWaalsContact ND1-CD1 3.34Å; H243-L435 WeakPolarHBondContact ND1-CD1 3.37Å; H243-L435 VanDerWaalsContact NE2-CD1 3.3Å; H243-L435 WeakPolarHBondContact NE2-CD1 3.34Å; L246-L435 HydrophobicContact CD2-CB 4.37Å; L246-L435 HydrophobicContact CD2-CD2 3.62Å; V261-L435 HydrophobicContact CG1-CD2 4.12Å; L430-L435 HydrophobicContact CB-CD1 4.35Å; L430-L435 HydrophobicContact CB-CD2 3.95Å; L430-L435 HydrophobicContact CB-CG 4.16Å; L430-L435 HydrophobicContact CD1-CD2 3.89Å; P431-L435 PolarHBondContact O-N 2.86Å; P432-L435 PolarHBondContact O-N 2.8Å; L435-A438 PolarHBondContact O-N 3.01Å; L435-L439 VanDerWaalsContact O-CB 3.29Å; L435-L439 WeakPolarHBondContact O-CB 3.48Å; L435-L439 PolarHBondContact O-N 2.73Å
436	A	98.9	Very high	98.7	Very high	6 Å²	6	30.9 Å²	30.9	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-46	173.3	0	0	0	0	0	111.6	G218 A222 F242 P432 M433 V434 L439 E440	G218-A436 WeakPolarHBondContact O-CB 3.29Å; A222-A436 HydrophobicContact CB-CB 3.59Å; F242-A436 HydrophobicContact CD1-CB 3.69Å; F242-A436 HydrophobicContact CE1-CB 3.69Å; P432-A436 WeakPolarHBondContact O-CB 3.34Å; P432-A436 PolarHBondContact O-N 2.83Å; M433-A436 PolarHBondContact O-N 3.44Å; V434-A436 VanDerWaalsContact C-N 3.35Å; A436-L439 PolarHBondContact O-N 2.79Å; A436-E440 PolarHBondContact O-N 3.37Å; A436-E440 VanDerWaalsContact O-N 3.15Å
437	G	98.8	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-46.6	173.5	0	0	0	0	0	112.7	M433 V434 L439 E440 S441	M433-G437 PolarHBondContact O-N 2.76Å; V434-G437 PolarHBondContact O-N 3.29Å; G437-L439 VanDerWaalsContact C-N 3.34Å; G437-L439 PolarHBondContact O-N 2.76Å; G437-E440 PolarHBondContact O-N 3.08Å; G437-S441 WeakPolarHBondContact O-CB 3.4Å; G437-S441 PolarHBondContact O-N 3.13Å
438	A	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-40.6	179	0	0	0	0	0	112.2	L246 L396 C402 V434 L435 S441 V442	L246-A438 HydrophobicContact CD1-CB 4.39Å; L246-A438 HydrophobicContact CD2-CB 4.05Å; L396-A438 HydrophobicContact CB-CB 4.46Å; L396-A438 HydrophobicContact CD1-CB 3.96Å; L396-A438 HydrophobicContact CD2-CB 4.3Å; L396-A438 HydrophobicContact CG-CB 4.47Å; C402-A438 HydrophobicContact CB-CB 4.03Å; C402-A438 PolarHBondContact SG-N 3.43Å; C402-A438 VanDerWaalsContact SG-N 3.41Å; V434-A438 WeakPolarHBondContact O-CB 3.24Å; V434-A438 PolarHBondContact O-N 3.24Å; L435-A438 PolarHBondContact O-N 3.01Å; A438-S441 WeakPolarHBondContact O-CB 3.37Å; A438-S441 PolarHBondContact O-N 3.17Å; A438-V442 WeakPolarHBondContact O-CG2 3.48Å; A438-V442 PolarHBondContact O-N 2.97Å
439	L	98.9	Very high	98.7	Very high	7 Å²	7	25.9 Å²	25.9	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-60.9	-45.6	176.2	178.8	61.9	0	0	0	111.7	L245 L246 E249 L435 A436 G437 S441 R443	L245-L439 HydrophobicContact CB-CD2 3.94Å; L245-L439 HydrophobicContact CD1-CD2 4.33Å; L246-L439 HydrophobicContact CD1-CB 4.2Å; L246-L439 HydrophobicContact CD1-CD1 4.36Å; E249-L439 HydrophobicContact CB-CD1 3.68Å; E249-L439 HydrophobicContact CG-CD1 3.82Å; L435-L439 VanDerWaalsContact O-CB 3.29Å; L435-L439 WeakPolarHBondContact O-CB 3.48Å; L435-L439 PolarHBondContact O-N 2.73Å; A436-L439 PolarHBondContact O-N 2.79Å; G437-L439 VanDerWaalsContact C-N 3.34Å; G437-L439 PolarHBondContact O-N 2.76Å; L439-S441 VanDerWaalsContact C-N 3.35Å; L439-R443 VanDerWaalsContact O-CG 3.3Å; L439-R443 WeakPolarHBondContact O-CG 3.37Å; L439-R443 PolarHBondContact O-N 3.31Å; L439-R443 VanDerWaalsContact O-N 3.11Å
440	E	98.9	Very high	98.7	Very high	40 Å²	40	25.1 Å²	25.1	19%	0.187	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-39.2	175.6	-71.2	-55.3	124.2	0	0	111.9	R214 A436 G437 R443 V444	R214-E440 IonicContact CZ-OE2 3.61Å; R214-E440 IonicContact NE-OE2 3.82Å; R214-E440 IonicContact NH2-OE2 3.09Å; R214-E440 PolarHBondContact NH2-OE2 2.95Å; A436-E440 PolarHBondContact O-N 3.37Å; A436-E440 VanDerWaalsContact O-N 3.15Å; G437-E440 PolarHBondContact O-N 3.08Å; E440-R443 PolarHBondContact O-N 2.86Å; E440-R443 IonicContact OE1-NH1 2.68Å; E440-R443 PolarHBondContact OE1-NH1 2.81Å; E440-R443 VanDerWaalsContact OE1-NH1 3.07Å; E440-V444 VanDerWaalsContact O-CG2 3.31Å; E440-V444 WeakPolarHBondContact O-CG2 3.32Å; E440-V444 PolarHBondContact O-N 2.98Å
441	S	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-47.7	176.9	-168.3	0	0	0	0	112.2	F400 G437 A438 L439 R443 V444 L445	F400-S441 VanDerWaalsContact C-OG 3.28Å; F400-S441 VanDerWaalsContact CA-OG 3.24Å; F400-S441 WeakPolarHBondContact CA-OG 3.38Å; F400-S441 VanDerWaalsContact O-CB 3.28Å; F400-S441 WeakPolarHBondContact O-CB 3.43Å; F400-S441 PolarHBondContact O-OG 3.48Å; G437-S441 WeakPolarHBondContact O-CB 3.4Å; G437-S441 PolarHBondContact O-N 3.13Å; A438-S441 WeakPolarHBondContact O-CB 3.37Å; A438-S441 PolarHBondContact O-N 3.17Å; L439-S441 VanDerWaalsContact C-N 3.35Å; S441-R443 VanDerWaalsContact C-N 3.32Å; S441-R443 PolarHBondContact O-N 2.82Å; S441-V444 PolarHBondContact O-N 3.04Å; S441-L445 WeakPolarHBondContact O-CG 3.39Å; S441-L445 PolarHBondContact O-N 2.96Å
442	V	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-46.1	175.1	171.3	0	0	0	0	110.6	L246 E249 L250 L253 F400 A438 V444 L445 K446	L246-V442 HydrophobicContact CD1-CG2 4.38Å; E249-V442 HydrophobicContact CG-CB 4.42Å; E249-V442 HydrophobicContact CG-CG1 3.68Å; L250-V442 HydrophobicContact CD2-CG2 4.17Å; L253-V442 HydrophobicContact CD2-CG1 4.31Å; F400-V442 HydrophobicContact CD1-CG2 3.81Å; F400-V442 HydrophobicContact CD2-CG2 4.4Å; F400-V442 HydrophobicContact CE1-CB 4.23Å; F400-V442 HydrophobicContact CE1-CG2 3.67Å; F400-V442 HydrophobicContact CE2-CG2 4.26Å; F400-V442 HydrophobicContact CG-CG2 4.22Å; F400-V442 HydrophobicContact CZ-CG2 3.91Å; A438-V442 WeakPolarHBondContact O-CG2 3.48Å; A438-V442 PolarHBondContact O-N 2.97Å; V442-V444 PolarHBondContact O-N 3.27Å; V442-L445 PolarHBondContact O-N 2.92Å; V442-K446 HydrophobicContact CG1-CD 3.85Å; V442-K446 HydrophobicContact CG1-CG 4.4Å; V442-K446 WeakPolarHBondContact O-CB 3.33Å; V442-K446 VanDerWaalsContact O-CG 3.25Å; V442-K446 WeakPolarHBondContact O-CG 3.41Å; V442-K446 PolarHBondContact O-N 2.89Å
443	R	98.8	Very high	98.7	Very high	87 Å²	87	28 Å²	28	33%	0.328	15%	0.153	S	C	.	.	H	α-helix	trans	-64.4	-40.6	179.6	-72.8	168.8	174.3	173.4	-4.5	113.2	E249 L439 E440 S441 S447	E249-R443 HydrophobicContact CG-CG 4.43Å; E249-R443 IonicContact OE2-CZ 2.9Å; E249-R443 IonicContact OE2-NE 3.07Å; E249-R443 PolarHBondContact OE2-NE 2.98Å; E249-R443 VanDerWaalsContact OE2-NE 3.09Å; E249-R443 IonicContact OE2-NH2 3.79Å; L439-R443 VanDerWaalsContact O-CG 3.3Å; L439-R443 WeakPolarHBondContact O-CG 3.37Å; L439-R443 PolarHBondContact O-N 3.31Å; L439-R443 VanDerWaalsContact O-N 3.11Å; E440-R443 PolarHBondContact O-N 2.86Å; E440-R443 IonicContact OE1-NH1 2.68Å; E440-R443 PolarHBondContact OE1-NH1 2.81Å; E440-R443 VanDerWaalsContact OE1-NH1 3.07Å; S441-R443 VanDerWaalsContact C-N 3.32Å; S441-R443 PolarHBondContact O-N 2.82Å; R443-S447 PolarHBondContact O-N 2.97Å
444	V	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-48.9	175.1	169.4	0	0	0	0	110	M209 R214 E440 S441 V442 K446 S447 E449 G450	M209-V444 HydrophobicContact CE-CB 3.89Å; M209-V444 HydrophobicContact CE-CG1 3.72Å; M209-V444 HydrophobicContact SD-CG1 4.45Å; R214-V444 HydrophobicContact CB-CG2 4.3Å; E440-V444 VanDerWaalsContact O-CG2 3.31Å; E440-V444 WeakPolarHBondContact O-CG2 3.32Å; E440-V444 PolarHBondContact O-N 2.98Å; S441-V444 PolarHBondContact O-N 3.04Å; V442-V444 PolarHBondContact O-N 3.27Å; V444-K446 VanDerWaalsContact C-N 3.28Å; V444-K446 PolarHBondContact O-N 3.34Å; V444-S447 WeakPolarHBondContact O-CB 3.25Å; V444-S447 PolarHBondContact O-N 3.02Å; V444-S447 PolarHBondContact O-OG 3.33Å; V444-E449 HydrophobicContact CG1-CB 4.45Å; V444-E449 HydrophobicContact CG1-CG 4.09Å; V444-E449 WeakPolarHBondContact CG1-OE2 3.4Å; V444-G450 PolarHBondContact O-N 3.38Å
445	L	98.8	Very high	98.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-69.7	-23.3	-177.2	-65.8	-169	0	0	0	114	L207 M209 A399 F400 S441 V442 S447 L453 R454	L207-L445 HydrophobicContact CD1-CD1 3.81Å; L207-L445 HydrophobicContact CD1-CD2 3.55Å; L207-L445 HydrophobicContact CD1-CG 4.36Å; M209-L445 HydrophobicContact CE-CD2 4.36Å; M209-L445 HydrophobicContact CE-CG 4.43Å; M209-L445 HydrophobicContact CG-CD1 4.15Å; M209-L445 HydrophobicContact CG-CD2 4.06Å; M209-L445 HydrophobicContact CG-CG 4.27Å; M209-L445 HydrophobicContact SD-CD2 3.8Å; M209-L445 HydrophobicContact SD-CG 4.36Å; A399-L445 HydrophobicContact CB-CD1 4.44Å; F400-L445 HydrophobicContact CD1-CD1 3.61Å; F400-L445 HydrophobicContact CD1-CG 4.41Å; F400-L445 HydrophobicContact CE1-CB 4.28Å; F400-L445 HydrophobicContact CE1-CD1 3.8Å; S441-L445 WeakPolarHBondContact O-CG 3.39Å; S441-L445 PolarHBondContact O-N 2.96Å; V442-L445 PolarHBondContact O-N 2.92Å; L445-S447 VanDerWaalsContact C-N 3.29Å; L445-L453 HydrophobicContact CD2-CD1 3.97Å; L445-R454 PolarHBondContact O-NH1 3.2Å; L445-R454 PolarHBondContact O-NH2 2.87Å
446	K	98.4	Very high	98.5	Very high	47 Å²	47	29.1 Å²	29.1	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-71.5	-21	169.4	-74.2	174.2	67.8	175.5	0	113.8	E249 L253 H375 V442 V444	E249-K446 IonicContact OE1-NZ 2.87Å; E249-K446 PolarHBondContact OE1-NZ 2.53Å; L253-K446 HydrophobicContact CD1-CD 3.94Å; L253-K446 HydrophobicContact CD1-CG 3.7Å; H375-K446 HydrophobicContact CB-CB 4.4Å; H375-K446 HydrophobicContact CB-CG 4.2Å; H375-K446 PolarHBondContact CD2-O 2.75Å; H375-K446 WeakPolarHBondContact O-CA 3.28Å; V442-K446 HydrophobicContact CG1-CD 3.85Å; V442-K446 HydrophobicContact CG1-CG 4.4Å; V442-K446 WeakPolarHBondContact O-CB 3.33Å; V442-K446 VanDerWaalsContact O-CG 3.25Å; V442-K446 WeakPolarHBondContact O-CG 3.41Å; V442-K446 PolarHBondContact O-N 2.89Å; V444-K446 VanDerWaalsContact C-N 3.28Å; V444-K446 PolarHBondContact O-N 3.34Å
447	S	98.6	Very high	98.4	Very high	40 Å²	40	28.9 Å²	28.9	28%	0.28	15%	0.154	S	C	.	.	S	Bend	trans	-85.4	179.5	-175.4	79.4	0	0	0	0	113	R443 V444 L445 E449 G450 Q451	R443-S447 PolarHBondContact O-N 2.97Å; V444-S447 WeakPolarHBondContact O-CB 3.25Å; V444-S447 PolarHBondContact O-N 3.02Å; V444-S447 PolarHBondContact O-OG 3.33Å; L445-S447 VanDerWaalsContact C-N 3.29Å; S447-E449 PolarHBondContact O-N 3.32Å; S447-E449 WeakPolarHBondContact OG-CB 3.22Å; S447-E449 PolarHBondContact OG-N 2.92Å; S447-G450 PolarHBondContact O-N 2.74Å; S447-G450 VanDerWaalsContact O-N 3.11Å; S447-Q451 PolarHBondContact O-N 2.91Å
448	S	98.1	Very high	98.3	Very high	91 Å²	91	30.4 Å²	30.4	64%	0.636	16%	0.162	S	C	*	.	H	α-helix	trans	-59.1	-29.8	172.8	52.8	0	0	0	0	113.1	Q451 A452	S448-Q451 WeakPolarHBondContact O-CB 3.46Å; S448-Q451 PolarHBondContact O-N 3.18Å; S448-A452 PolarHBondContact O-N 3.38Å
449	E	98.6	Very high	98.2	Very high	79 Å²	79	35.8 Å²	35.8	37%	0.369	18%	0.182	S	C	.	.	H	α-helix	trans	-62	-46.1	173.2	-179.3	172.8	-165.8	0	0	110.9	H212 V444 S447 Q451 A452 L453	H212-E449 IonicContact CD2-OE1 3.48Å; H212-E449 IonicContact CE1-OE1 3.47Å; H212-E449 IonicContact NE2-OE1 3.8Å; H212-E449 PolarHBondContact NE2-OE1 3.13Å; H212-E449 IonicContact NE2-OE2 3.4Å; V444-E449 HydrophobicContact CG1-CB 4.45Å; V444-E449 HydrophobicContact CG1-CG 4.09Å; V444-E449 WeakPolarHBondContact CG1-OE2 3.4Å; S447-E449 PolarHBondContact O-N 3.32Å; S447-E449 WeakPolarHBondContact OG-CB 3.22Å; S447-E449 PolarHBondContact OG-N 2.92Å; E449-Q451 VanDerWaalsContact C-N 3.3Å; E449-Q451 PolarHBondContact O-N 3.15Å; E449-A452 WeakPolarHBondContact O-CB 3.45Å; E449-A452 PolarHBondContact O-N 3.16Å; E449-A452 VanDerWaalsContact O-N 3.15Å; E449-L453 HydrophobicContact CG-CD1 4.35Å; E449-L453 WeakPolarHBondContact O-CG 3.35Å; E449-L453 PolarHBondContact O-N 3.24Å
450	G	98.6	Very high	98.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-41	173.7	0	0	0	0	0	113.1	V444 S447 L453 R454	V444-G450 PolarHBondContact O-N 3.38Å; S447-G450 PolarHBondContact O-N 2.74Å; S447-G450 VanDerWaalsContact O-N 3.11Å; G450-L453 PolarHBondContact O-N 2.75Å; G450-R454 WeakPolarHBondContact O-CG 3.05Å; G450-R454 PolarHBondContact O-N 3.5Å; G450-R454 PolarHBondContact O-NH1 3.33Å
451	Q	98.1	Very high	98	Very high	55 Å²	55	34.5 Å²	34.5	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-63.6	-41.4	175.6	-65	172.4	2.4	0	0	111.9	A374 S447 S448 E449 R454 R455	A374-Q451 WeakPolarHBondContact O-CG 3.32Å; A374-Q451 PolarHBondContact O-NE2 2.9Å; A374-Q451 VanDerWaalsContact O-NE2 3.14Å; S447-Q451 PolarHBondContact O-N 2.91Å; S448-Q451 WeakPolarHBondContact O-CB 3.46Å; S448-Q451 PolarHBondContact O-N 3.18Å; E449-Q451 VanDerWaalsContact C-N 3.3Å; E449-Q451 PolarHBondContact O-N 3.15Å; Q451-R454 PolarHBondContact O-N 2.87Å; Q451-R455 WeakPolarHBondContact O-CG 3.4Å; Q451-R455 PolarHBondContact O-N 3.45Å
452	A	98.2	Very high	97.8	Very high	45 Å²	45	36 Å²	36	37%	0.372	18%	0.183	S	C	.	.	H	α-helix	trans	-63.9	-43.7	175.7	0	0	0	0	0	111.9	S448 E449 R455 A456	S448-A452 PolarHBondContact O-N 3.38Å; E449-A452 WeakPolarHBondContact O-CB 3.45Å; E449-A452 PolarHBondContact O-N 3.16Å; E449-A452 VanDerWaalsContact O-N 3.15Å; A452-R455 PolarHBondContact O-N 3.19Å; A452-A456 WeakPolarHBondContact O-CB 3.45Å; A452-A456 PolarHBondContact O-N 2.86Å
453	L	98.6	Very high	97.7	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.141	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-45.4	175	-73.1	170.9	0	0	0	111.7	L207 M209 L445 E449 G450 R455 A456 H457 P529	L207-L453 HydrophobicContact CD1-CB 4.48Å; L207-L453 HydrophobicContact CD2-CB 4.37Å; M209-L453 HydrophobicContact SD-CD1 4.12Å; L445-L453 HydrophobicContact CD2-CD1 3.97Å; E449-L453 HydrophobicContact CG-CD1 4.35Å; E449-L453 WeakPolarHBondContact O-CG 3.35Å; E449-L453 PolarHBondContact O-N 3.24Å; G450-L453 PolarHBondContact O-N 2.75Å; L453-R455 PolarHBondContact O-N 3.06Å; L453-A456 PolarHBondContact O-N 3.27Å; L453-H457 VanDerWaalsContact O-CB 3.25Å; L453-H457 WeakPolarHBondContact O-CB 3.34Å; L453-H457 PolarHBondContact O-N 2.71Å; L453-P529 HydrophobicContact CD2-CB 4.37Å; L453-P529 HydrophobicContact CD2-CG 4.31Å; L453-P529 WeakPolarHBondContact O-CG 3.29Å
454	R	98.4	Very high	97.6	Very high	3 Å²	3	35 Å²	35	1%	0.011	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-45.7	175.6	-76.9	-172.2	-74.1	-72.7	0.6	111.9	G370 L371 G373 A374 L445 G450 Q451 H457 Q458	G370-R454 WeakPolarHBondContact O-CD 3.5Å; G370-R454 WeakPolarHBondContact O-CG 3.16Å; G370-R454 PolarHBondContact O-NH1 2.84Å; G370-R454 VanDerWaalsContact O-NH1 3.11Å; L371-R454 WeakPolarHBondContact O-CD 3.45Å; L371-R454 WeakPolarHBondContact O-CG 3.38Å; G373-R454 PolarHBondContact O-NE 2.84Å; A374-R454 PolarHBondContact O-NH2 3.21Å; L445-R454 PolarHBondContact O-NH1 3.2Å; L445-R454 PolarHBondContact O-NH2 2.87Å; G450-R454 WeakPolarHBondContact O-CG 3.05Å; G450-R454 PolarHBondContact O-N 3.5Å; G450-R454 PolarHBondContact O-NH1 3.33Å; Q451-R454 PolarHBondContact O-N 2.87Å; R454-H457 WeakPolarHBondContact O-CB 3.04Å; R454-H457 PolarHBondContact O-N 3.28Å; R454-Q458 WeakPolarHBondContact O-CG 3.27Å; R454-Q458 PolarHBondContact O-N 3.31Å
455	R	96.3	Very high	97.4	Very high	62 Å²	62	35.8 Å²	35.8	23%	0.234	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-47	176.3	-76.5	-169.1	-69.1	-83.8	3.3	112.7	Q451 A452 L453 H457 R459 F582	Q451-R455 WeakPolarHBondContact O-CG 3.4Å; Q451-R455 PolarHBondContact O-N 3.45Å; A452-R455 PolarHBondContact O-N 3.19Å; L453-R455 PolarHBondContact O-N 3.06Å; R455-H457 VanDerWaalsContact C-N 3.31Å; R455-H457 PolarHBondContact O-N 3.44Å; R455-R459 WeakPolarHBondContact O-CB 3.16Å; R455-R459 PolarHBondContact O-N 2.97Å; R455-R459 VanDerWaalsContact O-N 3.08Å; R455-F582 HydrophobicContact CG-CB 4.28Å; R455-F582 HydrophobicContact CG-CD1 4.25Å; R455-F582 HydrophobicContact CG-CD2 4.25Å; R455-F582 HydrophobicContact CG-CG 4.01Å
456	A	97.1	Very high	97.1	Very high	22 Å²	22	38.3 Å²	38.3	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-41.6	178.2	0	0	0	0	0	111.2	A452 L453 R459 N460 P529	A452-A456 WeakPolarHBondContact O-CB 3.45Å; A452-A456 PolarHBondContact O-N 2.86Å; L453-A456 PolarHBondContact O-N 3.27Å; A456-R459 PolarHBondContact O-N 2.98Å; A456-N460 WeakPolarHBondContact O-CB 3.38Å; A456-N460 PolarHBondContact O-N 2.84Å; A456-N460 PolarHBondContact O-OD1 3.16Å; A456-P529 HydrophobicContact CB-CB 3.95Å; A456-P529 HydrophobicContact CB-CG 4.47Å
457	H	98.6	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-54.7	175.8	-179.9	-127	0	0	0	112.1	L207 L453 R454 R455 R459 N460 V461 H481 P527 P529	L207-H457 HydrophobicContact CD2-CB 3.9Å; L453-H457 VanDerWaalsContact O-CB 3.25Å; L453-H457 WeakPolarHBondContact O-CB 3.34Å; L453-H457 PolarHBondContact O-N 2.71Å; R454-H457 WeakPolarHBondContact O-CB 3.04Å; R454-H457 PolarHBondContact O-N 3.28Å; R455-H457 VanDerWaalsContact C-N 3.31Å; R455-H457 PolarHBondContact O-N 3.44Å; H457-R459 VanDerWaalsContact C-N 3.29Å; H457-R459 PolarHBondContact O-N 2.83Å; H457-N460 PolarHBondContact O-N 3.47Å; H457-N460 VanDerWaalsContact O-N 3.14Å; H457-V461 VanDerWaalsContact O-CG2 3.28Å; H457-V461 WeakPolarHBondContact O-CG2 3.41Å; H457-V461 PolarHBondContact O-N 2.97Å; H457-H481 WeakPolarHBondContact CE1-CB 3.48Å; H457-H481 AromaticContact CE1-CD2 3.69Å; H457-H481 AromaticContact CE1-CG 3.45Å; H457-H481 VanDerWaalsContact CE1-CG 3.45Å; H457-H481 AromaticContact NE2-CD2 3.99Å; H457-P527 PolarHBondContact CD2-O 2.71Å; H457-P527 PolarHBondContact NE2-O 2.95Å; H457-P529 HydrophobicContact CB-CG 3.79Å
458	Q	96.3	Very high	96.9	Very high	32 Å²	32	35.4 Å²	35.4	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-38.3	-178.6	-63.8	-56.5	-23.2	0	0	111.9	R454 V461 K462	R454-Q458 WeakPolarHBondContact O-CG 3.27Å; R454-Q458 PolarHBondContact O-N 3.31Å; Q458-V461 PolarHBondContact O-N 2.85Å; Q458-K462 VanDerWaalsContact O-CB 3.28Å; Q458-K462 WeakPolarHBondContact O-CB 3.28Å; Q458-K462 PolarHBondContact O-N 2.82Å
459	R	96.1	Very high	96.6	Very high	113 Å²	113	32.6 Å²	32.6	43%	0.426	16%	0.158	S	C	.	.	H	α-helix	trans	-60.5	-46.7	174.2	-167.2	-165.9	-42.7	151.4	10	112	R455 A456 H457 K462 H463	R455-R459 WeakPolarHBondContact O-CB 3.16Å; R455-R459 PolarHBondContact O-N 2.97Å; R455-R459 VanDerWaalsContact O-N 3.08Å; A456-R459 PolarHBondContact O-N 2.98Å; H457-R459 VanDerWaalsContact C-N 3.29Å; H457-R459 PolarHBondContact O-N 2.83Å; R459-K462 PolarHBondContact O-N 3.43Å; R459-H463 WeakPolarHBondContact O-CB 3.36Å; R459-H463 PolarHBondContact O-N 3.26Å
460	N	97.8	Very high	96.4	Very high	19 Å²	19	34.5 Å²	34.5	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-42.6	179.6	-76.9	7	0	0	0	111.9	A456 H457 K462 H463 M464 S528 P529 H531 M536	A456-N460 WeakPolarHBondContact O-CB 3.38Å; A456-N460 PolarHBondContact O-N 2.84Å; A456-N460 PolarHBondContact O-OD1 3.16Å; H457-N460 PolarHBondContact O-N 3.47Å; H457-N460 VanDerWaalsContact O-N 3.14Å; N460-K462 VanDerWaalsContact C-N 3.32Å; N460-K462 PolarHBondContact O-N 2.74Å; N460-H463 PolarHBondContact O-N 3.45Å; N460-M464 VanDerWaalsContact O-CB 3.28Å; N460-M464 WeakPolarHBondContact O-CB 3.42Å; N460-M464 PolarHBondContact O-N 3.22Å; N460-S528 PolarHBondContact ND2-O 2.98Å; N460-P529 WeakPolarHBondContact ND2-CA 3.28Å; N460-P529 PolarHBondContact ND2-O 3.09Å; N460-H531 PolarHBondContact ND2-O 3.23Å; N460-M536 HydrophobicContact CB-CE 3.53Å; N460-M536 VanDerWaalsContact CG-CE 3.46Å
461	V	97.1	Very high	96.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-50.1	172.6	168.2	0	0	0	0	110.3	H457 Q458 H463 M464 R465 H481 I483 P527	H457-V461 VanDerWaalsContact O-CG2 3.28Å; H457-V461 WeakPolarHBondContact O-CG2 3.41Å; H457-V461 PolarHBondContact O-N 2.97Å; Q458-V461 PolarHBondContact O-N 2.85Å; V461-H463 PolarHBondContact O-N 3.47Å; V461-M464 PolarHBondContact O-N 2.87Å; V461-R465 WeakPolarHBondContact O-CB 3.35Å; V461-R465 PolarHBondContact O-N 2.81Å; V461-H481 HydrophobicContact CG2-CB 3.71Å; V461-I483 HydrophobicContact CG1-CD1 4.18Å; V461-I483 HydrophobicContact CG1-CG1 4.3Å; V461-P527 HydrophobicContact CB-CG 4.43Å; V461-P527 HydrophobicContact CG2-CG 3.89Å
462	K	94.3	Very high	96	Very high	33 Å²	33	37.5 Å²	37.5	14%	0.143	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-41.3	-177.3	-173.1	176.6	177.4	-58.9	0	112	Q458 R459 N460 Q466 F571 L573	Q458-K462 VanDerWaalsContact O-CB 3.28Å; Q458-K462 WeakPolarHBondContact O-CB 3.28Å; Q458-K462 PolarHBondContact O-N 2.82Å; R459-K462 PolarHBondContact O-N 3.43Å; N460-K462 VanDerWaalsContact C-N 3.32Å; N460-K462 PolarHBondContact O-N 2.74Å; K462-Q466 WeakPolarHBondContact O-CB 3.48Å; K462-Q466 PolarHBondContact O-N 3.39Å; K462-Q466 VanDerWaalsContact O-N 3.12Å; K462-F571 VanDerWaalsContact CE-C 3.42Å; K462-F571 HydrophobicContact CG-CB 4.49Å; K462-F571 VanDerWaalsContact NZ-CB 3.32Å; K462-F571 PolarHBondContact NZ-O 2.81Å; K462-L573 VanDerWaalsContact CE-N 3.27Å; K462-L573 VanDerWaalsContact NZ-CA 3.27Å
463	H	95.3	Very high	95.9	Very high	65 Å²	65	35.5 Å²	35.5	30%	0.301	16%	0.163	S	C	.	.	H	α-helix	trans	-64.4	-48.1	175.1	-177.6	49.9	0	0	0	111.7	R459 N460 V461 R465 Q466 L467	R459-H463 WeakPolarHBondContact O-CB 3.36Å; R459-H463 PolarHBondContact O-N 3.26Å; N460-H463 PolarHBondContact O-N 3.45Å; V461-H463 PolarHBondContact O-N 3.47Å; H463-R465 PolarHBondContact O-N 3.09Å; H463-Q466 WeakPolarHBondContact O-CB 3.13Å; H463-Q466 PolarHBondContact O-N 3.01Å; H463-L467 WeakPolarHBondContact O-CG 3.24Å; H463-L467 PolarHBondContact O-N 3.01Å
464	M	97.4	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-45.7	177.8	-172.9	61.7	178.8	0	0	112.1	W201 N460 V461 Q466 L467 L468 I483 L525 P527 M536 F539 V540	W201-M464 HydrophobicContact CE3-CE 4.41Å; W201-M464 HydrophobicContact CZ3-CE 4.08Å; W201-M464 HydrophobicContact CZ3-SD 4.31Å; N460-M464 VanDerWaalsContact O-CB 3.28Å; N460-M464 WeakPolarHBondContact O-CB 3.42Å; N460-M464 PolarHBondContact O-N 3.22Å; V461-M464 PolarHBondContact O-N 2.87Å; M464-Q466 VanDerWaalsContact C-N 3.3Å; M464-Q466 PolarHBondContact O-N 2.55Å; M464-L467 PolarHBondContact O-N 2.91Å; M464-L468 HydrophobicContact CE-CD1 4.23Å; M464-L468 HydrophobicContact CE-CD2 4.23Å; M464-L468 HydrophobicContact CE-CG 4.29Å; M464-L468 HydrophobicContact CG-CD1 4.02Å; M464-L468 WeakPolarHBondContact O-CD1 3.45Å; M464-L468 VanDerWaalsContact O-CG 3.25Å; M464-L468 WeakPolarHBondContact O-CG 3.37Å; M464-L468 PolarHBondContact O-N 3.05Å; M464-I483 HydrophobicContact CB-CD1 3.95Å; M464-I483 HydrophobicContact CG-CD1 3.97Å; M464-L525 HydrophobicContact CE-CD2 3.53Å; M464-L525 HydrophobicContact CG-CD2 4.38Å; M464-P527 HydrophobicContact CB-CG 4.25Å; M464-P527 HydrophobicContact CG-CG 4.39Å; M464-M536 HydrophobicContact CB-SD 3.96Å; M464-M536 HydrophobicContact SD-CB 3.72Å; M464-M536 HydrophobicContact SD-CG 3.87Å; M464-M536 HydrophobicContact SD-SD 4.21Å; M464-F539 HydrophobicContact CE-CB 4.28Å; M464-F539 HydrophobicContact CE-CD1 3.16Å; M464-F539 HydrophobicContact CE-CE1 3.59Å; M464-F539 HydrophobicContact CE-CG 3.83Å; M464-V540 HydrophobicContact CE-CG2 3.69Å; M464-V540 HydrophobicContact SD-CG2 3.98Å
465	R	95.2	Very high	95.5	Very high	17 Å²	17	36.1 Å²	36.1	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-44.4	176.6	-177	179.2	-65.8	118.2	2.1	111.3	V461 H463 L468 L469 V475 C478 S480 I483	V461-R465 WeakPolarHBondContact O-CB 3.35Å; V461-R465 PolarHBondContact O-N 2.81Å; H463-R465 PolarHBondContact O-N 3.09Å; R465-L468 PolarHBondContact O-N 3.46Å; R465-L469 HydrophobicContact CG-CD1 3.96Å; R465-L469 HydrophobicContact CG-CG 4.49Å; R465-L469 WeakPolarHBondContact O-CB 3.43Å; R465-L469 VanDerWaalsContact O-CG 3.3Å; R465-L469 WeakPolarHBondContact O-CG 3.32Å; R465-L469 PolarHBondContact O-N 3.23Å; R465-V475 HydrophobicContact CG-CG1 4.4Å; R465-C478 VanDerWaalsContact CZ-O 3.27Å; R465-C478 PolarHBondContact NH2-O 2.97Å; R465-C478 VanDerWaalsContact NH2-O 3.16Å; R465-S480 PolarHBondContact NH2-O 2.93Å; R465-I483 HydrophobicContact CB-CD1 4.2Å
466	Q	93	Very high	95.2	Very high	54 Å²	54	35.6 Å²	35.6	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-61.9	-47.9	178.4	-175.2	64	22.3	0	0	111.6	K462 H463 M464 L468 L469 E470	K462-Q466 WeakPolarHBondContact O-CB 3.48Å; K462-Q466 PolarHBondContact O-N 3.39Å; K462-Q466 VanDerWaalsContact O-N 3.12Å; H463-Q466 WeakPolarHBondContact O-CB 3.13Å; H463-Q466 PolarHBondContact O-N 3.01Å; M464-Q466 VanDerWaalsContact C-N 3.3Å; M464-Q466 PolarHBondContact O-N 2.55Å; Q466-L468 VanDerWaalsContact C-N 3.31Å; Q466-L468 PolarHBondContact O-N 3.45Å; Q466-L469 PolarHBondContact O-N 2.94Å; Q466-E470 HydrophobicContact CG-CG 4.43Å; Q466-E470 VanDerWaalsContact CG-OE1 3.29Å; Q466-E470 WeakPolarHBondContact CG-OE1 3.46Å; Q466-E470 PolarHBondContact NE2-OE1 3.14Å; Q466-E470 WeakPolarHBondContact O-CB 3.44Å; Q466-E470 WeakPolarHBondContact O-CG 3.42Å; Q466-E470 PolarHBondContact O-N 2.97Å
467	L	95.9	Very high	94.7	Very high	26 Å²	26	39.4 Å²	39.4	14%	0.136	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-42.8	178.1	-69.5	174.8	0	0	0	112.3	H463 M464 K471 M536 E537 V540	H463-L467 WeakPolarHBondContact O-CG 3.24Å; H463-L467 PolarHBondContact O-N 3.01Å; M464-L467 PolarHBondContact O-N 2.91Å; L467-K471 WeakPolarHBondContact O-CG 3.27Å; L467-K471 PolarHBondContact O-N 3.34Å; L467-M536 HydrophobicContact CD1-CB 3.94Å; L467-E537 HydrophobicContact CD1-CG 4.38Å; L467-V540 HydrophobicContact CB-CG2 3.99Å
468	L	96.1	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-43.7	178.9	-67.1	162.8	0	0	0	111.8	M464 R465 Q466 K471 G472 L473 V475 I483 I485 L525 F539 V540 L543	M464-L468 HydrophobicContact CE-CD1 4.23Å; M464-L468 HydrophobicContact CE-CD2 4.23Å; M464-L468 HydrophobicContact CE-CG 4.29Å; M464-L468 HydrophobicContact CG-CD1 4.02Å; M464-L468 WeakPolarHBondContact O-CD1 3.45Å; M464-L468 VanDerWaalsContact O-CG 3.25Å; M464-L468 WeakPolarHBondContact O-CG 3.37Å; M464-L468 PolarHBondContact O-N 3.05Å; R465-L468 PolarHBondContact O-N 3.46Å; Q466-L468 VanDerWaalsContact C-N 3.31Å; Q466-L468 PolarHBondContact O-N 3.45Å; L468-K471 PolarHBondContact O-N 3.2Å; L468-G472 PolarHBondContact O-N 3.34Å; L468-L473 HydrophobicContact CB-CD1 4.38Å; L468-L473 HydrophobicContact CD2-CD1 3.42Å; L468-L473 VanDerWaalsContact CD2-CD1 3.42Å; L468-L473 PolarHBondContact O-N 3.02Å; L468-L473 VanDerWaalsContact O-N 3.17Å; L468-V475 HydrophobicContact CB-CG2 3.48Å; L468-V475 VanDerWaalsContact CB-CG2 3.48Å; L468-V475 HydrophobicContact CD1-CG2 4.24Å; L468-V475 HydrophobicContact CG-CG2 4.44Å; L468-I483 HydrophobicContact CD1-CG2 3.72Å; L468-I485 HydrophobicContact CD1-CD1 4.16Å; L468-I485 HydrophobicContact CD2-CD1 3.86Å; L468-L525 HydrophobicContact CD1-CD2 3.87Å; L468-F539 HydrophobicContact CD2-CE1 4.44Å; L468-V540 HydrophobicContact CD2-CG2 3.79Å; L468-V540 HydrophobicContact CG-CG2 4.1Å; L468-L543 HydrophobicContact CD2-CD2 3.98Å
469	L	92.9	Very high	93.8	Very high	31 Å²	31	42.3 Å²	42.3	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-42.6	178.3	-73.6	170.9	0	0	0	112	R465 Q466 K471 G472 V475 V560 F571	R465-L469 HydrophobicContact CG-CD1 3.96Å; R465-L469 HydrophobicContact CG-CG 4.49Å; R465-L469 WeakPolarHBondContact O-CB 3.43Å; R465-L469 VanDerWaalsContact O-CG 3.3Å; R465-L469 WeakPolarHBondContact O-CG 3.32Å; R465-L469 PolarHBondContact O-N 3.23Å; Q466-L469 PolarHBondContact O-N 2.94Å; L469-K471 PolarHBondContact O-N 3.47Å; L469-G472 PolarHBondContact O-N 3.45Å; L469-V475 HydrophobicContact CD2-CB 3.93Å; L469-V475 HydrophobicContact CD2-CG2 4.32Å; L469-V475 HydrophobicContact CG-CB 4.4Å; L469-V475 HydrophobicContact CG-CG2 4.47Å; L469-V560 HydrophobicContact CD1-CG1 4.1Å; L469-F571 HydrophobicContact CD1-CE2 4.15Å
470	E	92.4	Very high	93.7	Very high	119 Å²	119	37 Å²	37	56%	0.556	19%	0.191	S	C	*	.	H	α-helix	trans	-61.6	-28.7	178	-75.9	173.4	-176.2	0	0	113	Q466 G472	Q466-E470 HydrophobicContact CG-CG 4.43Å; Q466-E470 VanDerWaalsContact CG-OE1 3.29Å; Q466-E470 WeakPolarHBondContact CG-OE1 3.46Å; Q466-E470 PolarHBondContact NE2-OE1 3.14Å; Q466-E470 WeakPolarHBondContact O-CB 3.44Å; Q466-E470 WeakPolarHBondContact O-CG 3.42Å; Q466-E470 PolarHBondContact O-N 2.97Å; E470-G472 VanDerWaalsContact C-N 3.31Å
471	K	94.4	Very high	93.7	Very high	114 Å²	114	36 Å²	36	50%	0.496	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.3	174.7	-63	-61.5	-176.4	178.5	0	114	L467 L468 L469 L473 V540 V544	L467-K471 WeakPolarHBondContact O-CG 3.27Å; L467-K471 PolarHBondContact O-N 3.34Å; L468-K471 PolarHBondContact O-N 3.2Å; L469-K471 PolarHBondContact O-N 3.47Å; K471-L473 VanDerWaalsContact C-N 3.34Å; K471-V540 HydrophobicContact CB-CG1 4.29Å; K471-V540 HydrophobicContact CG-CG1 3.61Å; K471-V544 HydrophobicContact CB-CG2 3.71Å; K471-V544 HydrophobicContact CG-CG2 4.15Å
472	G	94.5	Very high	93.7	Very high	5 Å²	5	36 Å²	36	5%	0.052	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	18	178.1	0	0	0	0	0	114.2	L468 L469 E470 L554 N555	L468-G472 PolarHBondContact O-N 3.34Å; L469-G472 PolarHBondContact O-N 3.45Å; E470-G472 VanDerWaalsContact C-N 3.31Å; G472-L554 CarbonylContact O-C 3.53Å; G472-N555 WeakPolarHBondContact O-CB 3.27Å; G472-N555 PolarHBondContact O-N 2.98Å
473	L	95.8	Very high	93.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.179	C	C	.	.			trans	-69.1	144.2	174.2	-74	161.1	0	0	0	110.3	L468 K471 V475 I485 L543 V544 W547 L554	L468-L473 HydrophobicContact CB-CD1 4.38Å; L468-L473 HydrophobicContact CD2-CD1 3.42Å; L468-L473 VanDerWaalsContact CD2-CD1 3.42Å; L468-L473 PolarHBondContact O-N 3.02Å; L468-L473 VanDerWaalsContact O-N 3.17Å; K471-L473 VanDerWaalsContact C-N 3.34Å; L473-V475 HydrophobicContact CB-CG2 4.36Å; L473-V475 PolarHBondContact O-N 3.23Å; L473-I485 HydrophobicContact CB-CG2 4.42Å; L473-L543 HydrophobicContact CD1-CD2 3.62Å; L473-L543 HydrophobicContact CD1-CG 4.04Å; L473-L543 HydrophobicContact CD2-CD2 4.33Å; L473-L543 HydrophobicContact CD2-CG 4.26Å; L473-V544 HydrophobicContact CD1-CG2 4.09Å; L473-V544 HydrophobicContact CG-CG2 4.34Å; L473-W547 HydrophobicContact CD2-CB 4.35Å; L473-W547 HydrophobicContact CD2-CD2 3.69Å; L473-W547 HydrophobicContact CD2-CE3 3.94Å; L473-W547 HydrophobicContact CD2-CG 3.89Å; L473-W547 HydrophobicContact CD2-CZ3 4.5Å; L473-L554 HydrophobicContact CD2-CD2 3.84Å; L473-L554 HydrophobicContact CG-CD2 4.16Å
474	P	94.8	Very high	94	Very high	24 Å²	24	31.3 Å²	31.3	16%	0.156	17%	0.165	C	C	.	.			trans	-76.9	66.2	-179	32.8	-36.9	0	0	0	112	I485 K486 W547	P474-I485 HydrophobicContact CG-CG2 4.2Å; P474-K486 WeakPolarHBondContact CG-O 3.34Å; P474-K486 PolarHBondContact O-N 3.31Å; P474-W547 HydrophobicContact CG-CH2 4.03Å; P474-W547 HydrophobicContact CG-CZ2 3.47Å; P474-W547 VanDerWaalsContact CG-CZ2 3.47Å
475	V	94	Very high	94	Very high	19 Å²	19	31.3 Å²	31.3	12%	0.115	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-71.3	129.3	175.8	-176.9	0	0	0	0	109.6	R465 L468 L469 L473 N477 I483 P484 I485	R465-V475 HydrophobicContact CG-CG1 4.4Å; L468-V475 HydrophobicContact CB-CG2 3.48Å; L468-V475 VanDerWaalsContact CB-CG2 3.48Å; L468-V475 HydrophobicContact CD1-CG2 4.24Å; L468-V475 HydrophobicContact CG-CG2 4.44Å; L469-V475 HydrophobicContact CD2-CB 3.93Å; L469-V475 HydrophobicContact CD2-CG2 4.32Å; L469-V475 HydrophobicContact CG-CB 4.4Å; L469-V475 HydrophobicContact CG-CG2 4.47Å; L473-V475 HydrophobicContact CB-CG2 4.36Å; L473-V475 PolarHBondContact O-N 3.23Å; V475-N477 PolarHBondContact O-N 3.35Å; V475-I483 HydrophobicContact CG1-CG2 3.68Å; V475-P484 WeakPolarHBondContact CA-O 3.3Å; V475-I485 HydrophobicContact CG2-CG1 4.45Å
476	V	89.9	Confident	94.1	Very high	51 Å²	51	34.4 Å²	34.4	31%	0.309	18%	0.179	S	C	.	.			trans	-70.1	122.5	172	179.8	0	0	0	0	108.6	C478 P484 K486	V476-C478 PolarHBondContact O-N 3.28Å; V476-C478 VanDerWaalsContact O-N 3.14Å; V476-C478 PolarHBondContact O-SG 3.1Å; V476-P484 HydrophobicContact CB-CB 4.03Å; V476-P484 HydrophobicContact CB-CG 4.05Å; V476-P484 HydrophobicContact CG2-CB 3.97Å; V476-P484 HydrophobicContact CG2-CG 4.49Å; V476-P484 PolarHBondContact N-O 2.9Å; V476-K486 HydrophobicContact CG2-CB 4.46Å
477	N	86.7	Confident	94.3	Very high	102 Å²	102	32.7 Å²	32.7	55%	0.545	17%	0.172	S	C	.	.			trans	-68.2	112.7	177.8	-174.9	30.4	0	0	0	109.9	V475	V475-N477 PolarHBondContact O-N 3.35Å
478	C	86.6	Confident	94.2	Very high	7 Å²	7	33 Å²	33	5%	0.047	18%	0.181	C	C	.	.			trans	-149.3	145.8	-176.3	59.2	0	0	0	0	111.1	D341 G342 R465 V476 I482 P484	D341-C478 VanDerWaalsContact O-CB 3.27Å; D341-C478 WeakPolarHBondContact O-CB 3.4Å; G342-C478 WeakPolarHBondContact O-CB 3.45Å; R465-C478 VanDerWaalsContact CZ-O 3.27Å; R465-C478 PolarHBondContact NH2-O 2.97Å; R465-C478 VanDerWaalsContact NH2-O 3.16Å; V476-C478 PolarHBondContact O-N 3.28Å; V476-C478 VanDerWaalsContact O-N 3.14Å; V476-C478 PolarHBondContact O-SG 3.1Å; C478-I482 PolarHBondContact SG-O 3.1Å; C478-P484 VanDerWaalsContact SG-CD 3.52Å
479	P	88.9	Confident	94.1	Very high	87 Å²	87	36.2 Å²	36.2	57%	0.565	20%	0.198	S	C	*	.	S	Bend	trans	-83.4	-14	-173.8	31.6	-34.8	0	0	0	114.2	I344	I344-P479 HydrophobicContact CB-CG 4.15Å; I344-P479 HydrophobicContact CD1-CB 4.35Å; I344-P479 HydrophobicContact CD1-CG 4.15Å; I344-P479 HydrophobicContact CG1-CG 3.95Å
480	S	95.3	Very high	94.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-81.6	-172	-174	78.5	0	0	0	0	113.9	G342 Y372 R465 I482	G342-S480 VanDerWaalsContact C-OG 3.3Å; G342-S480 WeakPolarHBondContact CA-OG 3.13Å; G342-S480 WeakPolarHBondContact O-CB 3.35Å; G342-S480 PolarHBondContact O-N 3.42Å; G342-S480 PolarHBondContact O-OG 2.71Å; Y372-S480 WeakPolarHBondContact OH-CA 3.35Å; R465-S480 PolarHBondContact NH2-O 2.93Å; S480-I482 VanDerWaalsContact C-N 3.32Å; S480-I482 PolarHBondContact OG-N 3.29Å
481	H	97.8	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-82.8	-7.5	175.5	63.5	-76.1	0	0	0	114.2	Y206 H367 L371 Y372 H457 V461	Y206-H481 AromaticContact CD1-CD2 3.75Å; Y206-H481 AromaticContact CD1-NE2 3.9Å; Y206-H481 AromaticContact CD2-NE2 4Å; Y206-H481 AromaticContact CE1-CD2 3.71Å; Y206-H481 AromaticContact CE1-NE2 3.54Å; Y206-H481 AromaticContact CE2-NE2 3.59Å; Y206-H481 AromaticContact CZ-NE2 3.37Å; H367-H481 PolarHBondContact O-CE1 3.02Å; L371-H481 VanDerWaalsContact CD1-CE1 3.4Å; L371-H481 WeakPolarHBondContact CD1-CE1 3.22Å; L371-H481 WeakPolarHBondContact CD1-NE2 3.15Å; Y372-H481 AromaticContact CE2-ND1 3.72Å; Y372-H481 AromaticContact CZ-ND1 3.78Å; Y372-H481 PolarHBondContact OH-N 3.11Å; Y372-H481 PolarHBondContact OH-ND1 2.79Å; H457-H481 WeakPolarHBondContact CE1-CB 3.48Å; H457-H481 AromaticContact CE1-CD2 3.69Å; H457-H481 AromaticContact CE1-CG 3.45Å; H457-H481 VanDerWaalsContact CE1-CG 3.45Å; H457-H481 AromaticContact NE2-CD2 3.99Å; V461-H481 HydrophobicContact CG2-CB 3.71Å
482	I	97.8	Very high	94.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.			trans	-88.5	131.8	177.9	-59.6	163.1	0	0	0	106.8	V337 H338 C478 S480 P484 R524	V337-I482 HydrophobicContact CG1-CD1 4.09Å; H338-I482 WeakPolarHBondContact O-CD1 3.22Å; C478-I482 PolarHBondContact SG-O 3.1Å; S480-I482 VanDerWaalsContact C-N 3.32Å; S480-I482 PolarHBondContact OG-N 3.29Å; I482-P484 HydrophobicContact CG2-CG 4.44Å; I482-P484 WeakPolarHBondContact O-CD 3.45Å; I482-R524 HydrophobicContact CG2-CG 3.83Å
483	I	97.8	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	96.1	-179.7	-55.9	170.2	0	0	0	108.2	V461 M464 R465 L468 V475 L525 P527	V461-I483 HydrophobicContact CG1-CD1 4.18Å; V461-I483 HydrophobicContact CG1-CG1 4.3Å; M464-I483 HydrophobicContact CB-CD1 3.95Å; M464-I483 HydrophobicContact CG-CD1 3.97Å; R465-I483 HydrophobicContact CB-CD1 4.2Å; L468-I483 HydrophobicContact CD1-CG2 3.72Å; V475-I483 HydrophobicContact CG1-CG2 3.68Å; I483-L525 HydrophobicContact CB-CB 4.05Å; I483-L525 PolarHBondContact N-O 2.98Å; I483-L525 WeakPolarHBondContact O-CB 3.45Å; I483-L525 PolarHBondContact O-N 2.92Å; I483-P527 HydrophobicContact CD1-CG 3.92Å
484	P	97.1	Very high	94.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.4	176	-4.5	22.5	0	0	0	110.4	M340 V475 V476 C478 I482 L522 L523	M340-P484 VanDerWaalsContact O-CG 3.27Å; M340-P484 WeakPolarHBondContact O-CG 3.35Å; V475-P484 WeakPolarHBondContact CA-O 3.3Å; V476-P484 HydrophobicContact CB-CB 4.03Å; V476-P484 HydrophobicContact CB-CG 4.05Å; V476-P484 HydrophobicContact CG2-CB 3.97Å; V476-P484 HydrophobicContact CG2-CG 4.49Å; V476-P484 PolarHBondContact N-O 2.9Å; C478-P484 VanDerWaalsContact SG-CD 3.52Å; I482-P484 HydrophobicContact CG2-CG 4.44Å; I482-P484 WeakPolarHBondContact O-CD 3.45Å; P484-L522 HydrophobicContact CB-CD1 4.28Å; P484-L522 HydrophobicContact CB-CD2 4.06Å; P484-L523 WeakPolarHBondContact CA-O 3.17Å
485	I	97.6	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.4	173.4	-49.8	177.6	0	0	0	107.4	L468 L473 P474 V475 V487 L522 L523 L525 L543 W547	L468-I485 HydrophobicContact CD1-CD1 4.16Å; L468-I485 HydrophobicContact CD2-CD1 3.86Å; L473-I485 HydrophobicContact CB-CG2 4.42Å; P474-I485 HydrophobicContact CG-CG2 4.2Å; V475-I485 HydrophobicContact CG2-CG1 4.45Å; I485-V487 PolarHBondContact O-N 3.35Å; I485-L522 CarbonylContact O-C 3.46Å; I485-L522 WeakPolarHBondContact O-CA 3.31Å; I485-L522 WeakPolarHBondContact O-CB 3.45Å; I485-L523 HydrophobicContact CB-CB 4.31Å; I485-L523 PolarHBondContact N-O 3.03Å; I485-L523 PolarHBondContact O-N 3.44Å; I485-L525 HydrophobicContact CD1-CD1 3.56Å; I485-L525 HydrophobicContact CD1-CD2 4.17Å; I485-L525 HydrophobicContact CG1-CD1 4.08Å; I485-L543 HydrophobicContact CD1-CD2 3.61Å; I485-W547 HydrophobicContact CG2-CH2 3.76Å; I485-W547 HydrophobicContact CG2-CZ3 3.99Å
486	K	96.4	Very high	94.8	Very high	82 Å²	82	36.1 Å²	36.1	36%	0.357	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.8	-173.3	-176.8	167	-179	156.4	0	110.8	P474 V476 G519 E520 W547	P474-K486 WeakPolarHBondContact CG-O 3.34Å; P474-K486 PolarHBondContact O-N 3.31Å; V476-K486 HydrophobicContact CG2-CB 4.46Å; K486-G519 WeakPolarHBondContact CE-O 3.45Å; K486-E520 WeakPolarHBondContact CE-OE2 3.4Å; K486-E520 IonicContact NZ-OE1 3.29Å; K486-E520 PolarHBondContact NZ-OE1 3.01Å; K486-E520 IonicContact NZ-OE2 2.77Å; K486-E520 PolarHBondContact NZ-OE2 2.9Å; K486-W547 WeakPolarHBondContact O-CH2 3.19Å
487	V	96.9	Very high	95.2	Very high	18 Å²	18	33.8 Å²	33.8	11%	0.109	19%	0.186	C	C	.	.			trans	-107.1	-42.5	173	-177.2	0	0	0	0	110.7	I485 N489 L492 N493 E521 L523 W547 L552	I485-V487 PolarHBondContact O-N 3.35Å; V487-N489 PolarHBondContact O-N 3.05Å; V487-L492 HydrophobicContact CG1-CB 4.21Å; V487-N493 HydrophobicContact CB-CB 4.01Å; V487-N493 HydrophobicContact CG1-CB 3.85Å; V487-N493 HydrophobicContact CG2-CB 4.18Å; V487-N493 WeakPolarHBondContact CG2-OD1 3.26Å; V487-E521 WeakPolarHBondContact CA-O 3.42Å; V487-E521 PolarHBondContact N-O 3.09Å; V487-L523 HydrophobicContact CG2-CG 4.28Å; V487-W547 HydrophobicContact CB-CH2 4.42Å; V487-W547 HydrophobicContact CG2-CH2 3.59Å; V487-W547 HydrophobicContact CG2-CZ3 3.89Å; V487-L552 HydrophobicContact CG1-CD1 4.05Å; V487-L552 HydrophobicContact CG1-CD2 4.19Å
488	G	93.9	Very high	95.6	Very high	31 Å²	31	31.4 Å²	31.4	32%	0.32	17%	0.173	S	C	.	.			trans	71	11.6	177	0	0	0	0	0	115.8	G519 E521	G488-G519 WeakPolarHBondContact CA-O 3.43Å; G488-E521 WeakPolarHBondContact CA-OE2 3.36Å; G488-E521 PolarHBondContact N-O 3.03Å
489	N	95.8	Very high	96.1	Very high	68 Å²	68	32 Å²	32	36%	0.364	18%	0.175	S	C	.	.			trans	-149.1	124.3	174.4	-179.5	-72.5	0	0	0	110.5	V487 E491 L492 N493 E521	V487-N489 PolarHBondContact O-N 3.05Å; N489-E491 PolarHBondContact O-N 3.4Å; N489-E491 WeakPolarHBondContact OD1-CB 3.35Å; N489-E491 PolarHBondContact OD1-N 3Å; N489-L492 HydrophobicContact CB-CB 4.23Å; N489-L492 HydrophobicContact CB-CD1 4.2Å; N489-L492 HydrophobicContact CB-CG 4.37Å; N489-L492 PolarHBondContact OD1-N 3.18Å; N489-N493 WeakPolarHBondContact O-CB 3.35Å; N489-N493 PolarHBondContact O-N 3.12Å; N489-E521 PolarHBondContact N-OE2 3.02Å
490	A	92.9	Very high	96.6	Very high	12 Å²	12	27.8 Å²	27.8	10%	0.099	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-37.6	-173.9	0	0	0	0	0	114.4	H167 S494 N512 E521	H167-A490 HydrophobicContact CB-CB 4.29Å; A490-S494 WeakPolarHBondContact O-CB 3.48Å; A490-S494 PolarHBondContact O-N 3.03Å; A490-S494 VanDerWaalsContact O-N 3.08Å; A490-S494 PolarHBondContact O-OG 3.47Å; A490-N512 HydrophobicContact CB-CB 4.31Å; A490-N512 PolarHBondContact O-ND2 2.9Å; A490-E521 HydrophobicContact CB-CG 4.01Å
491	E	94.9	Very high	96.6	Very high	110 Å²	110	27.9 Å²	27.9	51%	0.514	15%	0.149	S	C	.	.	H	α-helix	trans	-68.4	-50.5	179.6	-176	-178.9	-168.2	0	0	110.3	N489 N493 S494 K495	N489-E491 PolarHBondContact O-N 3.4Å; N489-E491 WeakPolarHBondContact OD1-CB 3.35Å; N489-E491 PolarHBondContact OD1-N 3Å; E491-N493 VanDerWaalsContact C-N 3.34Å; E491-N493 PolarHBondContact O-N 3.04Å; E491-S494 PolarHBondContact O-N 2.93Å; E491-K495 WeakPolarHBondContact O-CB 3.49Å; E491-K495 PolarHBondContact O-N 3.26Å
492	L	96.5	Very high	96.4	Very high	49 Å²	49	31.7 Å²	31.7	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-63.2	-39.8	177	-65.9	177.3	0	0	0	111.8	V487 N489 S494 K495 V496 L552	V487-L492 HydrophobicContact CG1-CB 4.21Å; N489-L492 HydrophobicContact CB-CB 4.23Å; N489-L492 HydrophobicContact CB-CD1 4.2Å; N489-L492 HydrophobicContact CB-CG 4.37Å; N489-L492 PolarHBondContact OD1-N 3.18Å; L492-S494 VanDerWaalsContact C-N 3.34Å; L492-S494 PolarHBondContact O-N 3.2Å; L492-K495 PolarHBondContact O-N 3.42Å; L492-V496 WeakPolarHBondContact O-CG2 3.4Å; L492-V496 PolarHBondContact O-N 2.96Å; L492-L552 HydrophobicContact CB-CD2 4.3Å; L492-L552 HydrophobicContact CD1-CD2 3.66Å; L492-L552 HydrophobicContact CD1-CG 4.44Å
493	N	97.4	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-46.4	177.2	-166.8	19.4	0	0	0	111.2	V487 N489 E491 V496 C497 A510 I511 N512 E521 L522 L523	V487-N493 HydrophobicContact CB-CB 4.01Å; V487-N493 HydrophobicContact CG1-CB 3.85Å; V487-N493 HydrophobicContact CG2-CB 4.18Å; V487-N493 WeakPolarHBondContact CG2-OD1 3.26Å; N489-N493 WeakPolarHBondContact O-CB 3.35Å; N489-N493 PolarHBondContact O-N 3.12Å; E491-N493 VanDerWaalsContact C-N 3.34Å; E491-N493 PolarHBondContact O-N 3.04Å; N493-V496 PolarHBondContact O-N 3.39Å; N493-C497 PolarHBondContact O-N 3.14Å; N493-C497 VanDerWaalsContact O-N 3.13Å; N493-A510 HydrophobicContact CB-CB 4.19Å; N493-A510 WeakPolarHBondContact O-CB 3.43Å; N493-I511 PolarHBondContact ND2-N 3.38Å; N493-I511 PolarHBondContact ND2-O 3.41Å; N493-N512 PolarHBondContact ND2-OD1 3.28Å; N493-E521 HydrophobicContact CB-CB 4.34Å; N493-L522 PolarHBondContact ND2-N 3.33Å; N493-L522 PolarHBondContact ND2-O 3.06Å; N493-L522 PolarHBondContact OD1-O 3.42Å; N493-L523 WeakPolarHBondContact OD1-CD2 3.42Å
494	S	96.3	Very high	96.3	Very high	36 Å²	36	38.2 Å²	38.2	25%	0.252	19%	0.192	S	C	.	.	H	α-helix	trans	-63.2	-43.9	176.5	-52.3	0	0	0	0	111.2	A490 E491 L492 V496 C497 D498 N512	A490-S494 WeakPolarHBondContact O-CB 3.48Å; A490-S494 PolarHBondContact O-N 3.03Å; A490-S494 VanDerWaalsContact O-N 3.08Å; A490-S494 PolarHBondContact O-OG 3.47Å; E491-S494 PolarHBondContact O-N 2.93Å; L492-S494 VanDerWaalsContact C-N 3.34Å; L492-S494 PolarHBondContact O-N 3.2Å; S494-V496 PolarHBondContact O-N 3.36Å; S494-C497 WeakPolarHBondContact O-CB 3.49Å; S494-C497 PolarHBondContact O-N 3.2Å; S494-D498 WeakPolarHBondContact O-CB 3.45Å; S494-D498 PolarHBondContact O-N 2.87Å; S494-N512 PolarHBondContact OG-ND2 2.9Å
495	K	96.8	Very high	96.3	Very high	106 Å²	106	41 Å²	41	46%	0.461	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-43.5	178	-172.9	176.4	-179.6	-178.4	0	112.7	E491 L492 D498 I499 T550	E491-K495 WeakPolarHBondContact O-CB 3.49Å; E491-K495 PolarHBondContact O-N 3.26Å; L492-K495 PolarHBondContact O-N 3.42Å; K495-D498 PolarHBondContact O-N 2.87Å; K495-I499 HydrophobicContact CG-CD1 3.87Å; K495-I499 VanDerWaalsContact O-CG1 3.26Å; K495-I499 WeakPolarHBondContact O-CG1 3.44Å; K495-I499 PolarHBondContact O-N 2.99Å; K495-T550 HydrophobicContact CD-CG2 4.11Å; K495-T550 HydrophobicContact CG-CG2 4.13Å
496	V	97.9	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-47.7	176.2	171.5	0	0	0	0	110.9	L492 N493 S494 D498 I499 L500 L523 L543 V546 T550 L552	L492-V496 WeakPolarHBondContact O-CG2 3.4Å; L492-V496 PolarHBondContact O-N 2.96Å; N493-V496 PolarHBondContact O-N 3.39Å; S494-V496 PolarHBondContact O-N 3.36Å; V496-D498 VanDerWaalsContact C-N 3.33Å; V496-D498 PolarHBondContact O-N 2.83Å; V496-I499 PolarHBondContact O-N 3.17Å; V496-L500 HydrophobicContact CG1-CD1 3.84Å; V496-L500 HydrophobicContact CG1-CG 4.5Å; V496-L500 WeakPolarHBondContact O-CB 3.25Å; V496-L500 VanDerWaalsContact O-CG 3.31Å; V496-L500 WeakPolarHBondContact O-CG 3.3Å; V496-L500 PolarHBondContact O-N 3.27Å; V496-L523 HydrophobicContact CG1-CD1 3.89Å; V496-L543 HydrophobicContact CG1-CD1 4.02Å; V496-V546 HydrophobicContact CB-CG1 4.3Å; V496-V546 HydrophobicContact CG1-CG1 4Å; V496-V546 HydrophobicContact CG2-CG1 4.3Å; V496-T550 HydrophobicContact CG2-CG2 3.97Å; V496-L552 HydrophobicContact CG2-CD1 3.75Å
497	C	97.2	Very high	96.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-45.6	176	166.2	0	0	0	0	111.9	N493 S494 L501 V508 A510	N493-C497 PolarHBondContact O-N 3.14Å; N493-C497 VanDerWaalsContact O-N 3.13Å; S494-C497 WeakPolarHBondContact O-CB 3.49Å; S494-C497 PolarHBondContact O-N 3.2Å; C497-L501 WeakPolarHBondContact O-CB 3.49Å; C497-L501 PolarHBondContact O-N 3.21Å; C497-V508 PolarHBondContact SG-O 3.43Å; C497-A510 HydrophobicContact CB-CB 3.81Å
498	D	96.4	Very high	96.4	Very high	52 Å²	52	37.7 Å²	37.7	28%	0.278	19%	0.19	S	C	.	.	H	α-helix	trans	-66.8	-45.6	-177.7	-68.5	-13.2	0	0	0	111.8	K173 S494 K495 V496 L500 L501 E502	K173-D498 WeakPolarHBondContact CE-OD1 3.28Å; K173-D498 IonicContact NZ-OD1 3.4Å; K173-D498 PolarHBondContact NZ-OD1 3.35Å; S494-D498 WeakPolarHBondContact O-CB 3.45Å; S494-D498 PolarHBondContact O-N 2.87Å; K495-D498 PolarHBondContact O-N 2.87Å; V496-D498 VanDerWaalsContact C-N 3.33Å; V496-D498 PolarHBondContact O-N 2.83Å; D498-L500 PolarHBondContact O-N 2.75Å; D498-L501 PolarHBondContact O-N 3.16Å; D498-E502 WeakPolarHBondContact O-CB 3.39Å; D498-E502 VanDerWaalsContact O-CG 3.31Å; D498-E502 WeakPolarHBondContact O-CG 3.46Å; D498-E502 PolarHBondContact O-N 2.9Å
499	I	97.2	Very high	96.6	Very high	19 Å²	19	38.9 Å²	38.9	10%	0.097	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-44.3	177.5	-67.6	168.9	0	0	0	111	K495 V496 L501 E502 R503 V546 T550	K495-I499 HydrophobicContact CG-CD1 3.87Å; K495-I499 VanDerWaalsContact O-CG1 3.26Å; K495-I499 WeakPolarHBondContact O-CG1 3.44Å; K495-I499 PolarHBondContact O-N 2.99Å; V496-I499 PolarHBondContact O-N 3.17Å; I499-L501 VanDerWaalsContact C-N 3.31Å; I499-L501 PolarHBondContact O-N 3.17Å; I499-E502 PolarHBondContact O-N 2.86Å; I499-R503 WeakPolarHBondContact O-CB 3.49Å; I499-R503 PolarHBondContact O-N 3.48Å; I499-V546 HydrophobicContact CB-CG1 3.84Å; I499-V546 HydrophobicContact CB-CG2 4.4Å; I499-V546 HydrophobicContact CD1-CG1 4.24Å; I499-V546 HydrophobicContact CG2-CB 4.24Å; I499-V546 HydrophobicContact CG2-CG1 3.71Å; I499-V546 HydrophobicContact CG2-CG2 3.47Å; I499-V546 VanDerWaalsContact CG2-CG2 3.47Å; I499-T550 HydrophobicContact CD1-CG2 3.85Å
500	L	97.9	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-41.7	177.5	-75.9	170	0	0	0	112.3	V496 D498 H504 N505 I506 V508 R542 L543 V546	V496-L500 HydrophobicContact CG1-CD1 3.84Å; V496-L500 HydrophobicContact CG1-CG 4.5Å; V496-L500 WeakPolarHBondContact O-CB 3.25Å; V496-L500 VanDerWaalsContact O-CG 3.31Å; V496-L500 WeakPolarHBondContact O-CG 3.3Å; V496-L500 PolarHBondContact O-N 3.27Å; D498-L500 PolarHBondContact O-N 2.75Å; L500-H504 CarbonylContact O-C 3.39Å; L500-H504 WeakPolarHBondContact O-CA 3.3Å; L500-H504 WeakPolarHBondContact O-CB 3.39Å; L500-H504 PolarHBondContact O-N 2.98Å; L500-N505 PolarHBondContact O-N 3.47Å; L500-N505 VanDerWaalsContact O-N 3.17Å; L500-I506 CarbonylContact C-O 3.55Å; L500-I506 VanDerWaalsContact C-O 3.22Å; L500-I506 HydrophobicContact CB-CB 4.22Å; L500-I506 HydrophobicContact CB-CG2 4.3Å; L500-I506 HydrophobicContact CD2-CD1 4.28Å; L500-I506 PolarHBondContact O-N 2.97Å; L500-V508 HydrophobicContact CD1-CG1 3.59Å; L500-R542 HydrophobicContact CD2-CB 4.24Å; L500-L543 HydrophobicContact CD1-CD1 3.81Å; L500-V546 HydrophobicContact CD2-CB 4.39Å; L500-V546 HydrophobicContact CD2-CG2 3.95Å; L500-V546 HydrophobicContact CG-CG1 4.45Å; L500-V546 HydrophobicContact CG-CG2 4.3Å
501	L	96.3	Very high	96.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-52.7	178.3	-177.7	63	0	0	0	111	K173 V198 C497 D498 I499 N505 I506 Y507	K173-L501 HydrophobicContact CB-CD2 4.46Å; K173-L501 HydrophobicContact CD-CD2 3.68Å; K173-L501 HydrophobicContact CG-CD2 4.07Å; V198-L501 HydrophobicContact CB-CD1 4.36Å; V198-L501 HydrophobicContact CG1-CD1 3.94Å; V198-L501 HydrophobicContact CG2-CD1 4.47Å; C497-L501 WeakPolarHBondContact O-CB 3.49Å; C497-L501 PolarHBondContact O-N 3.21Å; D498-L501 PolarHBondContact O-N 3.16Å; I499-L501 VanDerWaalsContact C-N 3.31Å; I499-L501 PolarHBondContact O-N 3.17Å; L501-N505 WeakPolarHBondContact O-CA 3.45Å; L501-N505 PolarHBondContact O-N 3.15Å; L501-I506 VanDerWaalsContact CA-O 3.28Å; L501-I506 WeakPolarHBondContact CA-O 3.37Å; L501-I506 PolarHBondContact N-O 2.88Å; L501-I506 VanDerWaalsContact N-O 3.16Å; L501-Y507 HydrophobicContact CD1-CG 4.47Å
502	E	94.4	Very high	96.7	Very high	80 Å²	80	32.2 Å²	32.2	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-72.6	-42.8	-169.8	-70.3	174.8	-166	0	0	113.6	M190 D498 I499	M190-E502 HydrophobicContact CE-CG 4.41Å; M190-E502 HydrophobicContact CG-CG 4.44Å; M190-E502 HydrophobicContact SD-CG 4.07Å; D498-E502 WeakPolarHBondContact O-CB 3.39Å; D498-E502 VanDerWaalsContact O-CG 3.31Å; D498-E502 WeakPolarHBondContact O-CG 3.46Å; D498-E502 PolarHBondContact O-N 2.9Å; I499-E502 PolarHBondContact O-N 2.86Å
503	R	95.2	Very high	96.2	Very high	122 Å²	122	34.4 Å²	34.4	46%	0.46	16%	0.16	S	C	.	.	H	α-helix	trans	-95.6	-29.2	-174.8	-76.3	170.1	48.1	-171.3	-3.3	113.6	I499 E545 E549	I499-R503 WeakPolarHBondContact O-CB 3.49Å; I499-R503 PolarHBondContact O-N 3.48Å; R503-E545 IonicContact NH2-OE1 3.94Å; R503-E549 IonicContact CZ-OE1 3.94Å; R503-E549 IonicContact CZ-OE2 3.29Å; R503-E549 VanDerWaalsContact CZ-OE2 3.29Å; R503-E549 IonicContact NH1-OE1 2.81Å; R503-E549 PolarHBondContact NH1-OE1 3.05Å; R503-E549 IonicContact NH1-OE2 2.81Å; R503-E549 PolarHBondContact NH1-OE2 2.92Å; R503-E549 IonicContact NH2-OE2 2.88Å; R503-E549 PolarHBondContact NH2-OE2 3.05Å
504	H	96.8	Very high	95.6	Very high	15 Å²	15	38 Å²	38	7%	0.069	18%	0.183	C	C	.	.	H	α-helix	trans	-118.4	-1.8	-169.2	-57.5	-70.4	0	0	0	114.2	L500 I506 Y538 R542	L500-H504 CarbonylContact O-C 3.39Å; L500-H504 WeakPolarHBondContact O-CA 3.3Å; L500-H504 WeakPolarHBondContact O-CB 3.39Å; L500-H504 PolarHBondContact O-N 2.98Å; H504-I506 HydrophobicContact CB-CD1 4.01Å; H504-I506 HydrophobicContact CB-CG1 4.37Å; H504-I506 PolarHBondContact O-N 3.48Å; H504-Y538 PolarHBondContact O-OH 3.35Å; H504-R542 HydrophobicContact CB-CB 4.22Å; H504-R542 HydrophobicContact CB-CG 4.09Å; H504-R542 VanDerWaalsContact ND1-CD 3.3Å; H504-R542 WeakPolarHBondContact ND1-CD 3.41Å
505	N	96.8	Very high	94.9	Very high	59 Å²	59	39.2 Å²	39.2	32%	0.316	19%	0.189	S	C	.	.			trans	55.9	37.3	-177.7	-55.9	-52.5	0	0	0	112.5	Q197 V198 S199 L500 L501	Q197-N505 WeakPolarHBondContact O-CB 3.28Å; V198-N505 CarbonylContact C-O 3.54Å; V198-N505 WeakPolarHBondContact CA-O 3.47Å; V198-N505 HydrophobicContact CB-CB 4.45Å; V198-N505 HydrophobicContact CG1-CB 4.06Å; S199-N505 PolarHBondContact N-O 3.34Å; S199-N505 PolarHBondContact OG-O 2.9Å; L500-N505 PolarHBondContact O-N 3.47Å; L500-N505 VanDerWaalsContact O-N 3.17Å; L501-N505 WeakPolarHBondContact O-CA 3.45Å; L501-N505 PolarHBondContact O-N 3.15Å
506	I	98.3	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.9	178.6	-70.3	165.6	0	0	0	108.3	L500 L501 H504 V508 Y538 F539 R542	L500-I506 CarbonylContact C-O 3.55Å; L500-I506 VanDerWaalsContact C-O 3.22Å; L500-I506 HydrophobicContact CB-CB 4.22Å; L500-I506 HydrophobicContact CB-CG2 4.3Å; L500-I506 HydrophobicContact CD2-CD1 4.28Å; L500-I506 PolarHBondContact O-N 2.97Å; L501-I506 VanDerWaalsContact CA-O 3.28Å; L501-I506 WeakPolarHBondContact CA-O 3.37Å; L501-I506 PolarHBondContact N-O 2.88Å; L501-I506 VanDerWaalsContact N-O 3.16Å; H504-I506 HydrophobicContact CB-CD1 4.01Å; H504-I506 HydrophobicContact CB-CG1 4.37Å; H504-I506 PolarHBondContact O-N 3.48Å; I506-V508 HydrophobicContact CG2-CG1 4.33Å; I506-Y538 HydrophobicContact CD1-CD1 4.09Å; I506-Y538 HydrophobicContact CD1-CE1 3.78Å; I506-Y538 HydrophobicContact CG1-CE1 4.13Å; I506-F539 HydrophobicContact CD1-CD2 4.33Å; I506-F539 HydrophobicContact CG2-CD2 3.4Å; I506-F539 VanDerWaalsContact CG2-CD2 3.4Å; I506-F539 HydrophobicContact CG2-CE2 3.4Å; I506-F539 VanDerWaalsContact CG2-CE2 3.4Å; I506-R542 HydrophobicContact CD1-CB 3.8Å; I506-R542 HydrophobicContact CD1-CG 4.11Å
507	Y	98.3	Very high	93.7	Very high	29 Å²	29	38 Å²	38	11%	0.114	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.1	173.3	-177.2	-147.4	0	0	0	111.3	K173 V175 S199 V200 W201 L501 Q509	K173-Y507 HydrophobicContact CB-CE2 4.03Å; K173-Y507 HydrophobicContact CG-CE2 3.86Å; V175-Y507 HydrophobicContact CG1-CD1 4.18Å; V175-Y507 HydrophobicContact CG1-CE1 4.34Å; V175-Y507 HydrophobicContact CG2-CD1 4.36Å; V175-Y507 HydrophobicContact CG2-CE1 4Å; S199-Y507 PolarHBondContact O-N 3.27Å; V200-Y507 HydrophobicContact CG1-CD1 4Å; V200-Y507 HydrophobicContact CG2-CD1 4.29Å; W201-Y507 PolarHBondContact N-O 2.68Å; L501-Y507 HydrophobicContact CD1-CG 4.47Å; Y507-Q509 HydrophobicContact CE2-CB 4.22Å; Y507-Q509 PolarHBondContact OH-OE1 3.07Å
508	V	98.2	Very high	93.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.			trans	-131.4	119.2	167.5	58.4	0	0	0	0	109.1	W201 C497 L500 I506 L523 L525 F539	W201-V508 HydrophobicContact CB-CB 4.34Å; C497-V508 PolarHBondContact SG-O 3.43Å; L500-V508 HydrophobicContact CD1-CG1 3.59Å; I506-V508 HydrophobicContact CG2-CG1 4.33Å; V508-L523 HydrophobicContact CG1-CD2 4.45Å; V508-L523 HydrophobicContact CG2-CB 4.19Å; V508-L523 HydrophobicContact CG2-CD2 4.47Å; V508-L525 HydrophobicContact CG2-CD1 3.74Å; V508-L525 HydrophobicContact CG2-CG 4.33Å; V508-F539 HydrophobicContact CB-CE2 4.14Å; V508-F539 HydrophobicContact CB-CZ 4.36Å; V508-F539 HydrophobicContact CG1-CE2 4.09Å; V508-F539 HydrophobicContact CG1-CZ 4.18Å; V508-F539 HydrophobicContact CG2-CZ 4.5Å
509	Q	97.9	Very high	92.8	Very high	56 Å²	56	43.2 Å²	43.2	26%	0.262	22%	0.223	S	C	.	.			trans	-75.3	130.4	-172.8	-177	59.7	61.8	0	0	112.3	C202 Y507 I511	C202-Q509 HydrophobicContact CB-CB 4.09Å; C202-Q509 PolarHBondContact SG-N 3.46Å; C202-Q509 VanDerWaalsContact SG-N 3.45Å; Y507-Q509 HydrophobicContact CE2-CB 4.22Å; Y507-Q509 PolarHBondContact OH-OE1 3.07Å; Q509-I511 HydrophobicContact CB-CD1 4.36Å; Q509-I511 HydrophobicContact CG-CD1 3.95Å; Q509-I511 PolarHBondContact O-N 3.43Å
510	A	97.4	Very high	92.5	Very high	8 Å²	8	46.7 Å²	46.7	7%	0.066	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.3	162.9	0	0	0	0	0	110.9	N493 C497	N493-A510 HydrophobicContact CB-CB 4.19Å; N493-A510 WeakPolarHBondContact O-CB 3.43Å; C497-A510 HydrophobicContact CB-CB 3.81Å
511	I	96	Very high	92.4	Very high	24 Å²	24	47.2 Å²	47.2	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.3	176.7	-50.1	-58.6	0	0	0	109.5	M340 N493 Q509 T515 V516 E521 L522 R524	M340-I511 HydrophobicContact SD-CG2 3.89Å; N493-I511 PolarHBondContact ND2-N 3.38Å; N493-I511 PolarHBondContact ND2-O 3.41Å; Q509-I511 HydrophobicContact CB-CD1 4.36Å; Q509-I511 HydrophobicContact CG-CD1 3.95Å; Q509-I511 PolarHBondContact O-N 3.43Å; I511-T515 HydrophobicContact CG2-CG2 3.49Å; I511-T515 VanDerWaalsContact CG2-CG2 3.49Å; I511-V516 HydrophobicContact CG2-CG1 3.94Å; I511-V516 HydrophobicContact CG2-CG2 4.18Å; I511-E521 WeakPolarHBondContact O-CA 3.28Å; I511-L522 HydrophobicContact CB-CD1 3.9Å; I511-L522 HydrophobicContact CB-CG 4.33Å; I511-L522 WeakPolarHBondContact CB-O 3.43Å; I511-L522 HydrophobicContact CG1-CD1 3.95Å; I511-L522 PolarHBondContact N-O 3.2Å; I511-L522 PolarHBondContact O-N 3.27Å; I511-L522 VanDerWaalsContact O-N 3.15Å; I511-R524 HydrophobicContact CD1-CB 4.39Å; I511-R524 HydrophobicContact CG1-CB 3.72Å
512	N	91.7	Very high	92.4	Very high	18 Å²	18	47.8 Å²	47.8	10%	0.096	24%	0.244	C	C	.	.			trans	-120.5	175.9	179.8	-59.1	-25.3	0	0	0	111	A490 N493 S494 T515 E521	A490-N512 HydrophobicContact CB-CB 4.31Å; A490-N512 PolarHBondContact O-ND2 2.9Å; N493-N512 PolarHBondContact ND2-OD1 3.28Å; S494-N512 PolarHBondContact OG-ND2 2.9Å; N512-T515 WeakPolarHBondContact O-CB 3.21Å; N512-T515 PolarHBondContact O-N 3.18Å; N512-E521 HydrophobicContact CB-CG 4.28Å; N512-E521 WeakPolarHBondContact OD1-CG 3.45Å
513	Y	86	Confident	92.6	Very high	95 Å²	95	44 Å²	44	37%	0.373	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	141.9	171.2	-179.8	-90.4	0	0	0	112.3	T168 V516 R518	T168-Y513 HydrophobicContact CG2-CD1 4.11Å; Y513-V516 VanDerWaalsContact CA-O 3.29Å; Y513-V516 WeakPolarHBondContact CA-O 3.45Å; Y513-R518 HydrophobicContact CD2-CG 4.16Å; Y513-R518 HydrophobicContact CG-CG 4.28Å
514	P	85.6	Confident	92.7	Very high	75 Å²	75	38.6 Å²	38.6	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	11	2.3	36.8	-39.4	0	0	0	115.3	V516	P514-V516 VanDerWaalsContact C-N 3.34Å
515	T	81.3	Confident	92.8	Very high	62 Å²	62	37.9 Å²	37.9	38%	0.38	20%	0.203	S	C	.	.	S	Bend	trans	-72.4	-33.5	-178.8	-62.3	0	0	0	0	111.7	R170 M340 I511 N512	R170-T515 PolarHBondContact NH2-OG1 3.1Å; M340-T515 HydrophobicContact CE-CG2 4.02Å; M340-T515 HydrophobicContact CG-CG2 4.07Å; M340-T515 HydrophobicContact SD-CG2 3.58Å; M340-T515 VanDerWaalsContact SD-CG2 3.58Å; I511-T515 HydrophobicContact CG2-CG2 3.49Å; I511-T515 VanDerWaalsContact CG2-CG2 3.49Å; N512-T515 WeakPolarHBondContact O-CB 3.21Å; N512-T515 PolarHBondContact O-N 3.18Å
516	V	85.2	Confident	92.9	Very high	18 Å²	18	35.3 Å²	35.3	11%	0.109	19%	0.189	C	C	.	.	S	Bend	trans	-128.3	163	169.9	-65.9	0	0	0	0	109.1	M340 I511 Y513 P514 E520 L522	M340-V516 HydrophobicContact CB-CG1 3.94Å; M340-V516 HydrophobicContact CG-CG1 3.96Å; M340-V516 HydrophobicContact SD-CG1 4.43Å; I511-V516 HydrophobicContact CG2-CG1 3.94Å; I511-V516 HydrophobicContact CG2-CG2 4.18Å; Y513-V516 VanDerWaalsContact CA-O 3.29Å; Y513-V516 WeakPolarHBondContact CA-O 3.45Å; P514-V516 VanDerWaalsContact C-N 3.34Å; V516-E520 WeakPolarHBondContact CG2-O 3.22Å; V516-L522 HydrophobicContact CG1-CD2 4.08Å; V516-L522 HydrophobicContact CG1-CG 4.46Å
517	A	84.1	Confident	92.8	Very high	62 Å²	62	35.3 Å²	35.3	51%	0.512	19%	0.189	S	C	.	.			trans	-64.2	157.2	175.2	0	0	0	0	0	111.3	E520	A517-E520 HydrophobicContact CB-CB 4.41Å; A517-E520 HydrophobicContact CB-CG 4.24Å; A517-E520 WeakPolarHBondContact O-CB 3.33Å; A517-E520 PolarHBondContact O-N 2.63Å; A517-E520 VanDerWaalsContact O-N 3.1Å
518	R	84.6	Confident	92.9	Very high	130 Å²	130	34 Å²	34	49%	0.491	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	136.7	173.4	-62.6	-180	-179.5	-76.7	3.3	109.8	D166 Y513 E520 E521	D166-R518 VanDerWaalsContact CG-NH2 3.3Å; D166-R518 IonicContact OD1-CZ 2.66Å; D166-R518 VanDerWaalsContact OD1-CZ 3.29Å; D166-R518 IonicContact OD1-NH1 2.79Å; D166-R518 PolarHBondContact OD1-NH1 2.81Å; D166-R518 IonicContact OD1-NH2 3.61Å; D166-R518 PolarHBondContact OD1-NH2 3.29Å; D166-R518 IonicContact OD2-CZ 2.74Å; D166-R518 VanDerWaalsContact OD2-CZ 3.29Å; D166-R518 IonicContact OD2-NH1 3.67Å; D166-R518 PolarHBondContact OD2-NH1 3.34Å; D166-R518 IonicContact OD2-NH2 2.73Å; D166-R518 PolarHBondContact OD2-NH2 3.38Å; Y513-R518 HydrophobicContact CD2-CG 4.16Å; Y513-R518 HydrophobicContact CG-CG 4.28Å; R518-E520 PolarHBondContact O-N 2.76Å; R518-E521 WeakPolarHBondContact CA-OE1 3.48Å
519	G	89.1	Confident	92.9	Very high	33 Å²	33	35.1 Å²	35.1	34%	0.34	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-6.2	-173.2	0	0	0	0	0	114.2	K486 G488 E521	K486-G519 WeakPolarHBondContact CE-O 3.45Å; G488-G519 WeakPolarHBondContact CA-O 3.43Å; G519-E521 VanDerWaalsContact C-OE2 3.26Å; G519-E521 WeakPolarHBondContact CA-OE2 3.46Å; G519-E521 VanDerWaalsContact N-CD 3.32Å; G519-E521 PolarHBondContact N-OE1 3.42Å; G519-E521 PolarHBondContact N-OE2 2.68Å
520	E	91.2	Very high	92.9	Very high	93 Å²	93	36.5 Å²	36.5	44%	0.435	20%	0.198	S	C	.	.			trans	-109	21.7	173.8	-60.3	-57.8	142.8	0	0	111.6	K486 V516 A517 R518 L522	K486-E520 WeakPolarHBondContact CE-OE2 3.4Å; K486-E520 IonicContact NZ-OE1 3.29Å; K486-E520 PolarHBondContact NZ-OE1 3.01Å; K486-E520 IonicContact NZ-OE2 2.77Å; K486-E520 PolarHBondContact NZ-OE2 2.9Å; V516-E520 WeakPolarHBondContact CG2-O 3.22Å; A517-E520 HydrophobicContact CB-CB 4.41Å; A517-E520 HydrophobicContact CB-CG 4.24Å; A517-E520 WeakPolarHBondContact O-CB 3.33Å; A517-E520 PolarHBondContact O-N 2.63Å; A517-E520 VanDerWaalsContact O-N 3.1Å; R518-E520 PolarHBondContact O-N 2.76Å; E520-L522 PolarHBondContact O-N 2.91Å
521	E	96.4	Very high	92.9	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.051	20%	0.196	C	C	.	.			trans	-59.2	137	176.1	-61.6	81.9	-173.9	0	0	110.6	V487 G488 N489 A490 N493 I511 N512 R518 G519	V487-E521 WeakPolarHBondContact CA-O 3.42Å; V487-E521 PolarHBondContact N-O 3.09Å; G488-E521 WeakPolarHBondContact CA-OE2 3.36Å; G488-E521 PolarHBondContact N-O 3.03Å; N489-E521 PolarHBondContact N-OE2 3.02Å; A490-E521 HydrophobicContact CB-CG 4.01Å; N493-E521 HydrophobicContact CB-CB 4.34Å; I511-E521 WeakPolarHBondContact O-CA 3.28Å; N512-E521 HydrophobicContact CB-CG 4.28Å; N512-E521 WeakPolarHBondContact OD1-CG 3.45Å; R518-E521 WeakPolarHBondContact CA-OE1 3.48Å; G519-E521 VanDerWaalsContact C-OE2 3.26Å; G519-E521 WeakPolarHBondContact CA-OE2 3.46Å; G519-E521 VanDerWaalsContact N-CD 3.32Å; G519-E521 PolarHBondContact N-OE1 3.42Å; G519-E521 PolarHBondContact N-OE2 2.68Å
522	L	97	Very high	92.9	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158	-171.7	59.7	85.1	0	0	0	112.3	P484 I485 N493 I511 V516 E520 R524	P484-L522 HydrophobicContact CB-CD1 4.28Å; P484-L522 HydrophobicContact CB-CD2 4.06Å; I485-L522 CarbonylContact O-C 3.46Å; I485-L522 WeakPolarHBondContact O-CA 3.31Å; I485-L522 WeakPolarHBondContact O-CB 3.45Å; N493-L522 PolarHBondContact ND2-N 3.33Å; N493-L522 PolarHBondContact ND2-O 3.06Å; N493-L522 PolarHBondContact OD1-O 3.42Å; I511-L522 HydrophobicContact CB-CD1 3.9Å; I511-L522 HydrophobicContact CB-CG 4.33Å; I511-L522 WeakPolarHBondContact CB-O 3.43Å; I511-L522 HydrophobicContact CG1-CD1 3.95Å; I511-L522 PolarHBondContact N-O 3.2Å; I511-L522 PolarHBondContact O-N 3.27Å; I511-L522 VanDerWaalsContact O-N 3.15Å; V516-L522 HydrophobicContact CG1-CD2 4.08Å; V516-L522 HydrophobicContact CG1-CG 4.46Å; E520-L522 PolarHBondContact O-N 2.91Å; L522-R524 HydrophobicContact CD1-CB 3.8Å
523	L	98.2	Very high	93.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.2	158.7	-61.9	175.9	0	0	0	108.3	P484 I485 V487 N493 V496 V508 L525 L543 W547	P484-L523 WeakPolarHBondContact CA-O 3.17Å; I485-L523 HydrophobicContact CB-CB 4.31Å; I485-L523 PolarHBondContact N-O 3.03Å; I485-L523 PolarHBondContact O-N 3.44Å; V487-L523 HydrophobicContact CG2-CG 4.28Å; N493-L523 WeakPolarHBondContact OD1-CD2 3.42Å; V496-L523 HydrophobicContact CG1-CD1 3.89Å; V508-L523 HydrophobicContact CG1-CD2 4.45Å; V508-L523 HydrophobicContact CG2-CB 4.19Å; V508-L523 HydrophobicContact CG2-CD2 4.47Å; L523-L525 HydrophobicContact CB-CD1 4.22Å; L523-L543 HydrophobicContact CD1-CD1 3.81Å; L523-W547 HydrophobicContact CD1-CZ3 4.15Å
524	R	97.6	Very high	93.8	Very high	9 Å²	9	39.7 Å²	39.7	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	104.2	179.1	-174.8	-175.8	178.6	-81.8	1.4	110.5	N204 Y206 S339 H367 I482 I511 L522	N204-R524 PolarHBondContact OD1-NH1 3.45Å; N204-R524 PolarHBondContact OD1-NH2 3.06Å; Y206-R524 PolarHBondContact OH-NH2 3.25Å; S339-R524 PolarHBondContact O-NE 3.22Å; S339-R524 PolarHBondContact O-NH2 3.43Å; H367-R524 PolarHBondContact CE1-NH2 3.39Å; I482-R524 HydrophobicContact CG2-CG 3.83Å; I511-R524 HydrophobicContact CD1-CB 4.39Å; I511-R524 HydrophobicContact CG1-CB 3.72Å; L522-R524 HydrophobicContact CD1-CB 3.8Å
525	L	98.1	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	142.6	175	-80.9	68.4	0	0	0	111.2	M464 L468 I483 I485 V508 L523 F539	M464-L525 HydrophobicContact CE-CD2 3.53Å; M464-L525 HydrophobicContact CG-CD2 4.38Å; L468-L525 HydrophobicContact CD1-CD2 3.87Å; I483-L525 HydrophobicContact CB-CB 4.05Å; I483-L525 PolarHBondContact N-O 2.98Å; I483-L525 WeakPolarHBondContact O-CB 3.45Å; I483-L525 PolarHBondContact O-N 2.92Å; I485-L525 HydrophobicContact CD1-CD1 3.56Å; I485-L525 HydrophobicContact CD1-CD2 4.17Å; I485-L525 HydrophobicContact CG1-CD1 4.08Å; V508-L525 HydrophobicContact CG2-CD1 3.74Å; V508-L525 HydrophobicContact CG2-CG 4.33Å; L523-L525 HydrophobicContact CB-CD1 4.22Å; L525-F539 HydrophobicContact CD1-CE1 4.44Å; L525-F539 HydrophobicContact CD1-CZ 3.98Å; L525-F539 HydrophobicContact CD2-CD1 4.43Å; L525-F539 HydrophobicContact CD2-CE1 3.59Å; L525-F539 HydrophobicContact CD2-CZ 3.73Å; L525-F539 HydrophobicContact CG-CE1 4.26Å; L525-F539 HydrophobicContact CG-CZ 3.89Å
526	A	98.1	Very high	95.2	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.033	20%	0.198	C	C	.	.			trans	-138.8	73.4	175.5	0	0	0	0	0	109.5	W201 S203 Y206	W201-A526 PolarHBondContact O-N 3.39Å; S203-A526 WeakPolarHBondContact O-CB 3.21Å; Y206-A526 HydrophobicContact CD1-CB 4.09Å; Y206-A526 HydrophobicContact CE1-CB 3.78Å
527	P	97.9	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.			trans	-63.2	145.3	177	28.7	-34	0	0	0	110.3	H457 V461 M464 I483	H457-P527 PolarHBondContact CD2-O 2.71Å; H457-P527 PolarHBondContact NE2-O 2.95Å; V461-P527 HydrophobicContact CB-CG 4.43Å; V461-P527 HydrophobicContact CG2-CG 3.89Å; M464-P527 HydrophobicContact CB-CG 4.25Å; M464-P527 HydrophobicContact CG-CG 4.39Å; I483-P527 HydrophobicContact CD1-CG 3.92Å
528	S	98.6	Very high	96.5	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	21%	0.208	C	C	.	.			trans	-111.3	169.7	-179.3	77.1	0	0	0	0	110.9	F182 Y206 N460 H530 H531	F182-S528 WeakPolarHBondContact CE1-OG 3.36Å; Y206-S528 WeakPolarHBondContact O-CA 3.11Å; Y206-S528 WeakPolarHBondContact O-CB 3.44Å; N460-S528 PolarHBondContact ND2-O 2.98Å; S528-H530 PolarHBondContact O-N 2.94Å; S528-H530 PolarHBondContact OG-N 2.97Å; S528-H530 VanDerWaalsContact OG-N 3.16Å; S528-H531 PolarHBondContact N-ND1 2.83Å; S528-H531 PolarHBondContact O-N 2.79Å; S528-H531 PolarHBondContact OG-N 2.67Å; S528-H531 PolarHBondContact OG-ND1 3.32Å
529	P	98.2	Very high	97.2	Very high	24 Å²	24	33.6 Å²	33.6	16%	0.156	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-22.2	168	-27	35.5	0	0	0	114.5	Y206 L207 L453 A456 H457 N460	Y206-P529 WeakPolarHBondContact O-CD 3.18Å; L207-P529 HydrophobicContact CD2-CG 3.89Å; L453-P529 HydrophobicContact CD2-CB 4.37Å; L453-P529 HydrophobicContact CD2-CG 4.31Å; L453-P529 WeakPolarHBondContact O-CG 3.29Å; A456-P529 HydrophobicContact CB-CB 3.95Å; A456-P529 HydrophobicContact CB-CG 4.47Å; H457-P529 HydrophobicContact CB-CG 3.79Å; N460-P529 WeakPolarHBondContact ND2-CA 3.28Å; N460-P529 PolarHBondContact ND2-O 3.09Å
530	H	98	Very high	97.6	Very high	84 Å²	84	32.2 Å²	32.2	39%	0.389	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.1	-171.9	-54.2	-78.8	0	0	0	113.3	F182 L207 S528 N532	F182-H530 HydrophobicContact CD1-CB 3.6Å; F182-H530 AromaticContact CD1-CD2 3.57Å; F182-H530 AromaticContact CD1-CG 3.68Å; F182-H530 HydrophobicContact CE1-CB 3.8Å; F182-H530 AromaticContact CE1-CD2 3.48Å; F182-H530 VanDerWaalsContact CE1-CD2 3.48Å; F182-H530 WeakPolarHBondContact CE1-CD2 3.49Å; F182-H530 AromaticContact CE1-CG 3.91Å; L207-H530 PolarHBondContact O-NE2 2.91Å; L207-H530 VanDerWaalsContact O-NE2 3.08Å; S528-H530 PolarHBondContact O-N 2.94Å; S528-H530 PolarHBondContact OG-N 2.97Å; S528-H530 VanDerWaalsContact OG-N 3.16Å; H530-N532 PolarHBondContact O-N 3.24Å
531	H	98.4	Very high	98	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	17%	0.171	C	C	.	.	S	Bend	trans	-79.4	110	164.3	-68.5	84.8	0	0	0	107.6	P183 V200 W201 N460 S528 M536	P183-H531 VanDerWaalsContact CB-CE1 3.48Å; P183-H531 WeakPolarHBondContact CB-CE1 3.44Å; P183-H531 WeakPolarHBondContact CG-NE2 3.29Å; V200-H531 PolarHBondContact O-CE1 3.36Å; V200-H531 PolarHBondContact O-NE2 2.93Å; V200-H531 VanDerWaalsContact O-NE2 3.08Å; W201-H531 AromaticContact CD2-CD2 3.68Å; W201-H531 AromaticContact CD2-NE2 3.74Å; W201-H531 AromaticContact CE2-CD2 3.63Å; W201-H531 AromaticContact CE2-NE2 3.97Å; W201-H531 AromaticContact CE3-CD2 3.57Å; W201-H531 AromaticContact CE3-NE2 3.87Å; W201-H531 HydrophobicContact CH2-CB 4.08Å; W201-H531 AromaticContact CH2-CD2 3.43Å; W201-H531 VanDerWaalsContact CH2-CD2 3.43Å; W201-H531 WeakPolarHBondContact CH2-CD2 3.32Å; W201-H531 AromaticContact CZ2-CD2 3.54Å; W201-H531 HydrophobicContact CZ3-CB 4.07Å; W201-H531 AromaticContact CZ3-CD2 3.45Å; W201-H531 VanDerWaalsContact CZ3-CD2 3.45Å; W201-H531 WeakPolarHBondContact CZ3-CD2 3.42Å; W201-H531 AromaticContact CZ3-CG 3.88Å; N460-H531 PolarHBondContact ND2-O 3.23Å; S528-H531 PolarHBondContact N-ND1 2.83Å; S528-H531 PolarHBondContact O-N 2.79Å; S528-H531 PolarHBondContact OG-N 2.67Å; S528-H531 PolarHBondContact OG-ND1 3.32Å; H531-M536 HydrophobicContact CB-CE 4.21Å; H531-M536 WeakPolarHBondContact O-CE 3.47Å
532	N	96.5	Very high	98.1	Very high	78 Å²	78	35.1 Å²	35.1	42%	0.417	18%	0.18	S	C	.	.			trans	-79.9	164.8	179.3	70	46.2	0	0	0	111.5	H530 A534 M535 M536	H530-N532 PolarHBondContact O-N 3.24Å; N532-A534 VanDerWaalsContact C-N 3.34Å; N532-A534 PolarHBondContact O-N 3.17Å; N532-A534 PolarHBondContact OD1-N 3.47Å; N532-M535 WeakPolarHBondContact O-CB 3.33Å; N532-M535 PolarHBondContact O-N 3.21Å; N532-M535 VanDerWaalsContact O-N 3.13Å; N532-M535 WeakPolarHBondContact OD1-CG 3.41Å; N532-M535 PolarHBondContact OD1-N 3.49Å; N532-M536 PolarHBondContact O-N 2.93Å; N532-M536 VanDerWaalsContact O-N 3.15Å
533	P	96.9	Very high	98.1	Very high	69 Å²	69	34.4 Å²	34.4	45%	0.448	18%	0.177	S	C	.	.	H	α-helix	trans	-55.9	-41.8	-178.1	-28.9	36.9	0	0	0	114.3	M535 M536 E537	P533-M535 VanDerWaalsContact C-N 3.3Å; P533-M535 PolarHBondContact O-N 2.99Å; P533-M536 WeakPolarHBondContact O-CA 3.49Å; P533-M536 WeakPolarHBondContact O-CB 3.28Å; P533-M536 PolarHBondContact O-N 3.38Å; P533-E537 WeakPolarHBondContact O-CG 3.38Å; P533-E537 PolarHBondContact O-N 2.8Å
534	A	98.1	Very high	98.1	Very high	63 Å²	63	35.4 Å²	35.4	52%	0.521	18%	0.183	S	C	.	.	H	α-helix	trans	-63	-36.5	178.7	0	0	0	0	0	112.4	N532 M536 Y538	N532-A534 VanDerWaalsContact C-N 3.34Å; N532-A534 PolarHBondContact O-N 3.17Å; N532-A534 PolarHBondContact OD1-N 3.47Å; A534-M536 VanDerWaalsContact C-N 3.34Å; A534-Y538 WeakPolarHBondContact O-CB 3.21Å; A534-Y538 PolarHBondContact O-N 2.74Å
535	M	98.4	Very high	98.1	Very high	26 Å²	26	38.4 Å²	38.4	13%	0.128	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-39.8	172.5	-68.1	172.3	67.3	0	0	111.6	P183 F184 W201 N532 P533 F539	P183-M535 HydrophobicContact CG-CE 3.64Å; F184-M535 HydrophobicContact CE1-CE 4.41Å; F184-M535 HydrophobicContact CE2-CE 4.03Å; F184-M535 HydrophobicContact CE2-SD 4.36Å; F184-M535 HydrophobicContact CZ-CE 3.76Å; F184-M535 HydrophobicContact CZ-SD 4.22Å; W201-M535 HydrophobicContact CH2-CB 4.12Å; W201-M535 HydrophobicContact CZ2-CB 3.97Å; W201-M535 WeakPolarHBondContact CZ2-O 3.49Å; N532-M535 WeakPolarHBondContact O-CB 3.33Å; N532-M535 PolarHBondContact O-N 3.21Å; N532-M535 VanDerWaalsContact O-N 3.13Å; N532-M535 WeakPolarHBondContact OD1-CG 3.41Å; N532-M535 PolarHBondContact OD1-N 3.49Å; P533-M535 VanDerWaalsContact C-N 3.3Å; P533-M535 PolarHBondContact O-N 2.99Å; M535-F539 WeakPolarHBondContact O-CB 3.38Å; M535-F539 PolarHBondContact O-N 2.82Å
536	M	98.7	Very high	98.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-46.4	178.1	-63.3	-175.2	-150.8	0	0	111.6	W201 N460 M464 L467 H531 N532 P533 A534 F539 V540	W201-M536 HydrophobicContact CH2-CB 4.34Å; W201-M536 HydrophobicContact CH2-CG 3.89Å; W201-M536 HydrophobicContact CZ3-CG 4.09Å; N460-M536 HydrophobicContact CB-CE 3.53Å; N460-M536 VanDerWaalsContact CG-CE 3.46Å; M464-M536 HydrophobicContact CB-SD 3.96Å; M464-M536 HydrophobicContact SD-CB 3.72Å; M464-M536 HydrophobicContact SD-CG 3.87Å; M464-M536 HydrophobicContact SD-SD 4.21Å; L467-M536 HydrophobicContact CD1-CB 3.94Å; H531-M536 HydrophobicContact CB-CE 4.21Å; H531-M536 WeakPolarHBondContact O-CE 3.47Å; N532-M536 PolarHBondContact O-N 2.93Å; N532-M536 VanDerWaalsContact O-N 3.15Å; P533-M536 WeakPolarHBondContact O-CA 3.49Å; P533-M536 WeakPolarHBondContact O-CB 3.28Å; P533-M536 PolarHBondContact O-N 3.38Å; A534-M536 VanDerWaalsContact C-N 3.34Å; M536-F539 WeakPolarHBondContact O-CB 3.48Å; M536-F539 PolarHBondContact O-N 3.38Å; M536-V540 VanDerWaalsContact O-CG2 3.3Å; M536-V540 WeakPolarHBondContact O-CG2 3.3Å; M536-V540 PolarHBondContact O-N 3.39Å
537	E	98.1	Very high	98.1	Very high	98 Å²	98	38.4 Å²	38.4	46%	0.458	20%	0.196	S	C	.	.	H	α-helix	trans	-58.1	-50	176.1	-71.5	171	-174.2	0	0	111	L467 P533 F539 V540 E541	L467-E537 HydrophobicContact CD1-CG 4.38Å; P533-E537 WeakPolarHBondContact O-CG 3.38Å; P533-E537 PolarHBondContact O-N 2.8Å; E537-F539 VanDerWaalsContact C-N 3.34Å; E537-F539 PolarHBondContact O-N 2.86Å; E537-V540 PolarHBondContact O-N 3.02Å; E537-E541 WeakPolarHBondContact O-CG 3.3Å; E537-E541 PolarHBondContact O-N 3.47Å
538	Y	98.6	Very high	98	Very high	96 Å²	96	44 Å²	44	38%	0.376	22%	0.222	S	C	.	.	H	α-helix	trans	-58.2	-44.9	176.3	177.6	-101.3	0	0	0	112.2	H504 I506 A534 V540 E541 R542	H504-Y538 PolarHBondContact O-OH 3.35Å; I506-Y538 HydrophobicContact CD1-CD1 4.09Å; I506-Y538 HydrophobicContact CD1-CE1 3.78Å; I506-Y538 HydrophobicContact CG1-CE1 4.13Å; A534-Y538 WeakPolarHBondContact O-CB 3.21Å; A534-Y538 PolarHBondContact O-N 2.74Å; Y538-V540 PolarHBondContact O-N 3.38Å; Y538-E541 PolarHBondContact O-N 2.86Å; Y538-R542 HydrophobicContact CD1-CG 4.45Å; Y538-R542 HydrophobicContact CD2-CG 4.22Å; Y538-R542 HydrophobicContact CE1-CG 4.02Å; Y538-R542 HydrophobicContact CE2-CG 3.77Å; Y538-R542 WeakPolarHBondContact O-CG 3.36Å; Y538-R542 PolarHBondContact O-N 3.06Å
539	F	98.7	Very high	97.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-50.5	176.2	176.1	-77.3	0	0	0	111.4	W201 M464 L468 I506 V508 L525 M535 M536 E537 R542 L543	W201-F539 HydrophobicContact CB-CD2 4.39Å; W201-F539 HydrophobicContact CB-CE2 3.94Å; W201-F539 AromaticContact CD1-CD2 3.64Å; W201-F539 AromaticContact CD1-CE2 3.9Å; W201-F539 AromaticContact CD2-CD2 3.5Å; W201-F539 HydrophobicContact CD2-CD2 3.5Å; W201-F539 AromaticContact CD2-CE2 3.93Å; W201-F539 HydrophobicContact CD2-CE2 3.93Å; W201-F539 HydrophobicContact CD2-CG 4.15Å; W201-F539 AromaticContact CE2-CD2 3.5Å; W201-F539 HydrophobicContact CE3-CD2 4.14Å; W201-F539 HydrophobicContact CE3-CG 4.42Å; W201-F539 AromaticContact CG-CD2 3.6Å; W201-F539 HydrophobicContact CG-CD2 3.6Å; W201-F539 AromaticContact CG-CE2 3.63Å; W201-F539 HydrophobicContact CG-CE2 3.63Å; W201-F539 HydrophobicContact CH2-CB 3.99Å; W201-F539 HydrophobicContact CH2-CG 4.47Å; W201-F539 HydrophobicContact CZ2-CB 3.68Å; W201-F539 HydrophobicContact CZ2-CD2 4.11Å; W201-F539 HydrophobicContact CZ2-CG 4.2Å; W201-F539 AromaticContact NE1-CD2 3.58Å; M464-F539 HydrophobicContact CE-CB 4.28Å; M464-F539 HydrophobicContact CE-CD1 3.16Å; M464-F539 HydrophobicContact CE-CE1 3.59Å; M464-F539 HydrophobicContact CE-CG 3.83Å; L468-F539 HydrophobicContact CD2-CE1 4.44Å; I506-F539 HydrophobicContact CD1-CD2 4.33Å; I506-F539 HydrophobicContact CG2-CD2 3.4Å; I506-F539 VanDerWaalsContact CG2-CD2 3.4Å; I506-F539 HydrophobicContact CG2-CE2 3.4Å; I506-F539 VanDerWaalsContact CG2-CE2 3.4Å; V508-F539 HydrophobicContact CB-CE2 4.14Å; V508-F539 HydrophobicContact CB-CZ 4.36Å; V508-F539 HydrophobicContact CG1-CE2 4.09Å; V508-F539 HydrophobicContact CG1-CZ 4.18Å; V508-F539 HydrophobicContact CG2-CZ 4.5Å; L525-F539 HydrophobicContact CD1-CE1 4.44Å; L525-F539 HydrophobicContact CD1-CZ 3.98Å; L525-F539 HydrophobicContact CD2-CD1 4.43Å; L525-F539 HydrophobicContact CD2-CE1 3.59Å; L525-F539 HydrophobicContact CD2-CZ 3.73Å; L525-F539 HydrophobicContact CG-CE1 4.26Å; L525-F539 HydrophobicContact CG-CZ 3.89Å; M535-F539 WeakPolarHBondContact O-CB 3.38Å; M535-F539 PolarHBondContact O-N 2.82Å; M536-F539 WeakPolarHBondContact O-CB 3.48Å; M536-F539 PolarHBondContact O-N 3.38Å; E537-F539 VanDerWaalsContact C-N 3.34Å; E537-F539 PolarHBondContact O-N 2.86Å; F539-R542 PolarHBondContact O-N 2.73Å; F539-L543 HydrophobicContact CD1-CB 4.4Å; F539-L543 HydrophobicContact CD1-CD2 4.48Å; F539-L543 HydrophobicContact CE1-CB 4.13Å; F539-L543 HydrophobicContact CE1-CD2 3.6Å; F539-L543 HydrophobicContact CE1-CG 4.45Å; F539-L543 HydrophobicContact CZ-CD2 4.19Å; F539-L543 VanDerWaalsContact O-CB 3.29Å; F539-L543 WeakPolarHBondContact O-CB 3.45Å; F539-L543 PolarHBondContact O-N 3Å
540	V	98.5	Very high	97.8	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-42.7	-174.9	172.5	0	0	0	0	110.6	M464 L467 L468 K471 M536 E537 Y538 L543 V544	M464-V540 HydrophobicContact CE-CG2 3.69Å; M464-V540 HydrophobicContact SD-CG2 3.98Å; L467-V540 HydrophobicContact CB-CG2 3.99Å; L468-V540 HydrophobicContact CD2-CG2 3.79Å; L468-V540 HydrophobicContact CG-CG2 4.1Å; K471-V540 HydrophobicContact CB-CG1 4.29Å; K471-V540 HydrophobicContact CG-CG1 3.61Å; M536-V540 VanDerWaalsContact O-CG2 3.3Å; M536-V540 WeakPolarHBondContact O-CG2 3.3Å; M536-V540 PolarHBondContact O-N 3.39Å; E537-V540 PolarHBondContact O-N 3.02Å; Y538-V540 PolarHBondContact O-N 3.38Å; V540-L543 PolarHBondContact O-N 3.09Å; V540-V544 VanDerWaalsContact O-CG2 3.28Å; V540-V544 WeakPolarHBondContact O-CG2 3.29Å; V540-V544 PolarHBondContact O-N 2.95Å
541	E	98.3	Very high	97.7	Very high	98 Å²	98	47 Å²	47	46%	0.458	25%	0.251	S	S	.	.	H	α-helix	trans	-58	-50.5	175.3	-74.3	-178.8	-175.3	0	0	112.5	E537 Y538 L543 V544 E545	E537-E541 WeakPolarHBondContact O-CG 3.3Å; E537-E541 PolarHBondContact O-N 3.47Å; Y538-E541 PolarHBondContact O-N 2.86Å; E541-L543 VanDerWaalsContact C-N 3.34Å; E541-V544 PolarHBondContact O-N 3.44Å; E541-E545 PolarHBondContact O-N 2.79Å; E541-E545 VanDerWaalsContact O-N 3.09Å
542	R	98.6	Very high	97.5	Very high	66 Å²	66	48 Å²	48	25%	0.249	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-37	-179.7	-64.3	-46.6	100	168.2	13.8	111.7	L500 H504 I506 Y538 F539 E545 V546	L500-R542 HydrophobicContact CD2-CB 4.24Å; H504-R542 HydrophobicContact CB-CB 4.22Å; H504-R542 HydrophobicContact CB-CG 4.09Å; H504-R542 VanDerWaalsContact ND1-CD 3.3Å; H504-R542 WeakPolarHBondContact ND1-CD 3.41Å; I506-R542 HydrophobicContact CD1-CB 3.8Å; I506-R542 HydrophobicContact CD1-CG 4.11Å; Y538-R542 HydrophobicContact CD1-CG 4.45Å; Y538-R542 HydrophobicContact CD2-CG 4.22Å; Y538-R542 HydrophobicContact CE1-CG 4.02Å; Y538-R542 HydrophobicContact CE2-CG 3.77Å; Y538-R542 WeakPolarHBondContact O-CG 3.36Å; Y538-R542 PolarHBondContact O-N 3.06Å; F539-R542 PolarHBondContact O-N 2.73Å; R542-E545 IonicContact CZ-OE2 2.69Å; R542-E545 IonicContact NE-OE2 3.77Å; R542-E545 IonicContact NH1-OE2 3.75Å; R542-E545 PolarHBondContact NH1-OE2 3.47Å; R542-E545 PolarHBondContact O-N 2.77Å; R542-V546 VanDerWaalsContact O-CG2 3.3Å; R542-V546 WeakPolarHBondContact O-CG2 3.31Å; R542-V546 PolarHBondContact O-N 3.04Å
543	L	98.5	Very high	97.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-45.9	175.3	177.6	60.9	0	0	0	111.1	L468 L473 I485 V496 L500 L523 F539 V540 E541 V546 W547	L468-L543 HydrophobicContact CD2-CD2 3.98Å; L473-L543 HydrophobicContact CD1-CD2 3.62Å; L473-L543 HydrophobicContact CD1-CG 4.04Å; L473-L543 HydrophobicContact CD2-CD2 4.33Å; L473-L543 HydrophobicContact CD2-CG 4.26Å; I485-L543 HydrophobicContact CD1-CD2 3.61Å; V496-L543 HydrophobicContact CG1-CD1 4.02Å; L500-L543 HydrophobicContact CD1-CD1 3.81Å; L523-L543 HydrophobicContact CD1-CD1 3.81Å; F539-L543 HydrophobicContact CD1-CB 4.4Å; F539-L543 HydrophobicContact CD1-CD2 4.48Å; F539-L543 HydrophobicContact CE1-CB 4.13Å; F539-L543 HydrophobicContact CE1-CD2 3.6Å; F539-L543 HydrophobicContact CE1-CG 4.45Å; F539-L543 HydrophobicContact CZ-CD2 4.19Å; F539-L543 VanDerWaalsContact O-CB 3.29Å; F539-L543 WeakPolarHBondContact O-CB 3.45Å; F539-L543 PolarHBondContact O-N 3Å; V540-L543 PolarHBondContact O-N 3.09Å; E541-L543 VanDerWaalsContact C-N 3.34Å; L543-V546 PolarHBondContact O-N 3.27Å; L543-W547 HydrophobicContact CD1-CE3 3.98Å; L543-W547 HydrophobicContact CD1-CZ3 4.46Å; L543-W547 WeakPolarHBondContact O-CB 3.46Å; L543-W547 PolarHBondContact O-N 3.13Å
544	V	97.9	Very high	97	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.127	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-43.7	178.1	172.1	0	0	0	0	111.6	K471 L473 V540 E541 V546 W547 Q548 L554	K471-V544 HydrophobicContact CB-CG2 3.71Å; K471-V544 HydrophobicContact CG-CG2 4.15Å; L473-V544 HydrophobicContact CD1-CG2 4.09Å; L473-V544 HydrophobicContact CG-CG2 4.34Å; V540-V544 VanDerWaalsContact O-CG2 3.28Å; V540-V544 WeakPolarHBondContact O-CG2 3.29Å; V540-V544 PolarHBondContact O-N 2.95Å; E541-V544 PolarHBondContact O-N 3.44Å; V544-V546 PolarHBondContact O-N 3.44Å; V544-W547 WeakPolarHBondContact O-CB 3.41Å; V544-W547 PolarHBondContact O-N 2.89Å; V544-Q548 WeakPolarHBondContact O-CG 3.47Å; V544-Q548 PolarHBondContact O-N 3.44Å; V544-L554 HydrophobicContact CG1-CD1 4.24Å
545	E	97.9	Very high	96.3	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-56.3	-51.4	176.2	-175.3	-174.3	160.8	0	0	111	R503 E541 R542 W547 Q548 E549	R503-E545 IonicContact NH2-OE1 3.94Å; E541-E545 PolarHBondContact O-N 2.79Å; E541-E545 VanDerWaalsContact O-N 3.09Å; R542-E545 IonicContact CZ-OE2 2.69Å; R542-E545 IonicContact NE-OE2 3.77Å; R542-E545 IonicContact NH1-OE2 3.75Å; R542-E545 PolarHBondContact NH1-OE2 3.47Å; R542-E545 PolarHBondContact O-N 2.77Å; E545-W547 PolarHBondContact O-N 3.47Å; E545-Q548 PolarHBondContact O-N 3.31Å; E545-E549 WeakPolarHBondContact O-CB 3.45Å; E545-E549 PolarHBondContact O-N 3.08Å
546	V	98.1	Very high	94.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-36.8	179.4	175.6	0	0	0	0	112	V496 I499 L500 R542 L543 V544 Q548 E549 T550	V496-V546 HydrophobicContact CB-CG1 4.3Å; V496-V546 HydrophobicContact CG1-CG1 4Å; V496-V546 HydrophobicContact CG2-CG1 4.3Å; I499-V546 HydrophobicContact CB-CG1 3.84Å; I499-V546 HydrophobicContact CB-CG2 4.4Å; I499-V546 HydrophobicContact CD1-CG1 4.24Å; I499-V546 HydrophobicContact CG2-CB 4.24Å; I499-V546 HydrophobicContact CG2-CG1 3.71Å; I499-V546 HydrophobicContact CG2-CG2 3.47Å; I499-V546 VanDerWaalsContact CG2-CG2 3.47Å; L500-V546 HydrophobicContact CD2-CB 4.39Å; L500-V546 HydrophobicContact CD2-CG2 3.95Å; L500-V546 HydrophobicContact CG-CG1 4.45Å; L500-V546 HydrophobicContact CG-CG2 4.3Å; R542-V546 VanDerWaalsContact O-CG2 3.3Å; R542-V546 WeakPolarHBondContact O-CG2 3.31Å; R542-V546 PolarHBondContact O-N 3.04Å; L543-V546 PolarHBondContact O-N 3.27Å; V544-V546 PolarHBondContact O-N 3.44Å; V546-Q548 PolarHBondContact O-N 3.22Å; V546-E549 PolarHBondContact O-N 2.91Å; V546-T550 HydrophobicContact CG1-CG2 4.33Å; V546-T550 WeakPolarHBondContact O-CB 3.41Å; V546-T550 WeakPolarHBondContact O-CG2 3.26Å; V546-T550 PolarHBondContact O-N 3.49Å; V546-T550 PolarHBondContact O-OG1 3.45Å
547	W	97.6	Very high	92.6	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-60.3	-46.5	177.6	-158.9	-90.4	0	0	0	111.2	L473 P474 I485 K486 V487 L523 L543 V544 E545 T550 G551 L552 L553 L554	L473-W547 HydrophobicContact CD2-CB 4.35Å; L473-W547 HydrophobicContact CD2-CD2 3.69Å; L473-W547 HydrophobicContact CD2-CE3 3.94Å; L473-W547 HydrophobicContact CD2-CG 3.89Å; L473-W547 HydrophobicContact CD2-CZ3 4.5Å; P474-W547 HydrophobicContact CG-CH2 4.03Å; P474-W547 HydrophobicContact CG-CZ2 3.47Å; P474-W547 VanDerWaalsContact CG-CZ2 3.47Å; I485-W547 HydrophobicContact CG2-CH2 3.76Å; I485-W547 HydrophobicContact CG2-CZ3 3.99Å; K486-W547 WeakPolarHBondContact O-CH2 3.19Å; V487-W547 HydrophobicContact CB-CH2 4.42Å; V487-W547 HydrophobicContact CG2-CH2 3.59Å; V487-W547 HydrophobicContact CG2-CZ3 3.89Å; L523-W547 HydrophobicContact CD1-CZ3 4.15Å; L543-W547 HydrophobicContact CD1-CE3 3.98Å; L543-W547 HydrophobicContact CD1-CZ3 4.46Å; L543-W547 WeakPolarHBondContact O-CB 3.46Å; L543-W547 PolarHBondContact O-N 3.13Å; V544-W547 WeakPolarHBondContact O-CB 3.41Å; V544-W547 PolarHBondContact O-N 2.89Å; E545-W547 PolarHBondContact O-N 3.47Å; W547-T550 PolarHBondContact O-N 3.14Å; W547-T550 PolarHBondContact O-OG1 3.02Å; W547-G551 PolarHBondContact O-N 3.3Å; W547-L552 VanDerWaalsContact CD1-CB 3.44Å; W547-L552 HydrophobicContact CD2-CB 3.97Å; W547-L552 HydrophobicContact CD2-CD1 3.77Å; W547-L552 HydrophobicContact CE3-CD1 3.93Å; W547-L552 HydrophobicContact CG-CB 3.89Å; W547-L552 HydrophobicContact CG-CD1 4.34Å; W547-L552 HydrophobicContact CH2-CD1 4.12Å; W547-L552 HydrophobicContact CZ2-CB 4.23Å; W547-L552 HydrophobicContact CZ2-CD1 3.94Å; W547-L552 HydrophobicContact CZ3-CD1 4.11Å; W547-L552 VanDerWaalsContact NE1-CB 3.26Å; W547-L552 WeakPolarHBondContact O-CB 3.45Å; W547-L552 PolarHBondContact O-N 2.94Å; W547-L552 VanDerWaalsContact O-N 3.08Å; W547-L553 PolarHBondContact NE1-O 2.66Å; W547-L554 HydrophobicContact CG-CD2 4.26Å
548	Q	96	Very high	90.2	Very high	117 Å²	117	57.4 Å²	57.4	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-68.6	-42	177	-68.8	176.4	-21.4	0	0	112.1	V544 E545 V546 T550 G551 L554	V544-Q548 WeakPolarHBondContact O-CG 3.47Å; V544-Q548 PolarHBondContact O-N 3.44Å; E545-Q548 PolarHBondContact O-N 3.31Å; V546-Q548 PolarHBondContact O-N 3.22Å; Q548-T550 VanDerWaalsContact C-N 3.26Å; Q548-T550 PolarHBondContact O-N 2.66Å; Q548-G551 PolarHBondContact O-N 3.47Å; Q548-L554 HydrophobicContact CG-CD1 4.26Å
549	E	96.6	Very high	87.7	Confident	100 Å²	100	58.7 Å²	58.7	47%	0.467	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-36.9	177.4	-174	-175	142.5	0	0	112.2	R503 E545 V546 G551	R503-E549 IonicContact CZ-OE1 3.94Å; R503-E549 IonicContact CZ-OE2 3.29Å; R503-E549 VanDerWaalsContact CZ-OE2 3.29Å; R503-E549 IonicContact NH1-OE1 2.81Å; R503-E549 PolarHBondContact NH1-OE1 3.05Å; R503-E549 IonicContact NH1-OE2 2.81Å; R503-E549 PolarHBondContact NH1-OE2 2.92Å; R503-E549 IonicContact NH2-OE2 2.88Å; R503-E549 PolarHBondContact NH2-OE2 3.05Å; E545-E549 WeakPolarHBondContact O-CB 3.45Å; E545-E549 PolarHBondContact O-N 3.08Å; V546-E549 PolarHBondContact O-N 2.91Å; E549-G551 PolarHBondContact O-N 3.31Å
550	T	95.6	Very high	85.6	Confident	14 Å²	14	60.1 Å²	60.1	9%	0.086	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.1	178.3	53.1	0	0	0	0	113.6	K495 V496 I499 V546 W547 Q548 L552	K495-T550 HydrophobicContact CD-CG2 4.11Å; K495-T550 HydrophobicContact CG-CG2 4.13Å; V496-T550 HydrophobicContact CG2-CG2 3.97Å; I499-T550 HydrophobicContact CD1-CG2 3.85Å; V546-T550 HydrophobicContact CG1-CG2 4.33Å; V546-T550 WeakPolarHBondContact O-CB 3.41Å; V546-T550 WeakPolarHBondContact O-CG2 3.26Å; V546-T550 PolarHBondContact O-N 3.49Å; V546-T550 PolarHBondContact O-OG1 3.45Å; W547-T550 PolarHBondContact O-N 3.14Å; W547-T550 PolarHBondContact O-OG1 3.02Å; Q548-T550 VanDerWaalsContact C-N 3.26Å; Q548-T550 PolarHBondContact O-N 2.66Å; T550-L552 VanDerWaalsContact C-N 3.28Å; T550-L552 PolarHBondContact O-N 2.79Å
551	G	94.7	Very high	83.4	Confident	60 Å²	60	61.4 Å²	61.4	62%	0.619	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	13.3	178.6	0	0	0	0	0	114.1	W547 Q548 E549	W547-G551 PolarHBondContact O-N 3.3Å; Q548-G551 PolarHBondContact O-N 3.47Å; E549-G551 PolarHBondContact O-N 3.31Å
552	L	95.2	Very high	80.9	Confident	24 Å²	24	58.3 Å²	58.3	13%	0.126	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-75.6	140.8	174.7	-66.7	170	0	0	0	109.9	V487 L492 V496 W547 T550	V487-L552 HydrophobicContact CG1-CD1 4.05Å; V487-L552 HydrophobicContact CG1-CD2 4.19Å; L492-L552 HydrophobicContact CB-CD2 4.3Å; L492-L552 HydrophobicContact CD1-CD2 3.66Å; L492-L552 HydrophobicContact CD1-CG 4.44Å; V496-L552 HydrophobicContact CG2-CD1 3.75Å; W547-L552 VanDerWaalsContact CD1-CB 3.44Å; W547-L552 HydrophobicContact CD2-CB 3.97Å; W547-L552 HydrophobicContact CD2-CD1 3.77Å; W547-L552 HydrophobicContact CE3-CD1 3.93Å; W547-L552 HydrophobicContact CG-CB 3.89Å; W547-L552 HydrophobicContact CG-CD1 4.34Å; W547-L552 HydrophobicContact CH2-CD1 4.12Å; W547-L552 HydrophobicContact CZ2-CB 4.23Å; W547-L552 HydrophobicContact CZ2-CD1 3.94Å; W547-L552 HydrophobicContact CZ3-CD1 4.11Å; W547-L552 VanDerWaalsContact NE1-CB 3.26Å; W547-L552 WeakPolarHBondContact O-CB 3.45Å; W547-L552 PolarHBondContact O-N 2.94Å; W547-L552 VanDerWaalsContact O-N 3.08Å; T550-L552 VanDerWaalsContact C-N 3.28Å; T550-L552 PolarHBondContact O-N 2.79Å
553	L	91.8	Very high	78.1	Confident	151 Å²	151	61.9 Å²	61.9	79%	0.791	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-79.9	139.3	-179.4	-61.4	177.3	0	0	0	110.6	W547	W547-L553 PolarHBondContact NE1-O 2.66Å
554	L	90.9	Very high	75.1	Confident	53 Å²	53	71.2 Å²	71.2	28%	0.277	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-84.9	146.2	161.4	-62.5	173.1	0	0	0	108.2	G472 L473 V544 W547 Q548	G472-L554 CarbonylContact O-C 3.53Å; L473-L554 HydrophobicContact CD2-CD2 3.84Å; L473-L554 HydrophobicContact CG-CD2 4.16Å; V544-L554 HydrophobicContact CG1-CD1 4.24Å; W547-L554 HydrophobicContact CG-CD2 4.26Å; Q548-L554 HydrophobicContact CG-CD1 4.26Å
555	N	84.4	Confident	72.6	Confident	92 Å²	92	73.3 Å²	73.3	49%	0.492	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.2	149	165.3	-66.1	-19.2	0	0	0	108.6	G472	G472-N555 WeakPolarHBondContact O-CB 3.27Å; G472-N555 PolarHBondContact O-N 2.98Å
556	G	63.4	Low	70.1	Confident	56 Å²	56	76 Å²	76	58%	0.577	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-53.9	154.6	166	0	0	0	0	0	109.8	A558	G556-A558 PolarHBondContact O-N 2.91Å
557	P	54.3	Low	67.5	Low	125 Å²	125	84.7 Å²	84.7	81%	0.812	48%	0.484	S	S	*	.			trans	-54.9	103.6	179.1	21.7	-30.9	0	0	0	108.1	T559	P557-T559 PolarHBondContact O-N 3.01Å; P557-T559 VanDerWaalsContact O-N 3.11Å
558	A	48.6	Very low	65.2	Low	54 Å²	54	89.8 Å²	89.8	45%	0.446	52%	0.518	S	S	.	.			trans	-65.5	119.1	-179.2	0	0	0	0	0	105.6	G556 V560	G556-A558 PolarHBondContact O-N 2.91Å; A558-V560 PolarHBondContact O-N 2.68Å
559	T	47.1	Very low	63	Low	122 Å²	122	86.9 Å²	86.9	75%	0.748	51%	0.506	S	S	*	.			trans	-56.4	104.6	141.6	37.1	0	0	0	0	103	P557 S561	P557-T559 PolarHBondContact O-N 3.01Å; P557-T559 VanDerWaalsContact O-N 3.11Å; T559-S561 PolarHBondContact O-N 2.75Å
560	V	52.6	Low	60.5	Low	30 Å²	30	89.6 Å²	89.6	18%	0.182	52%	0.518	C	S	.	.			trans	-62.6	88.6	-171.2	-167.2	0	0	0	0	105.4	L469 A558 P568 L569 F571	L469-V560 HydrophobicContact CD1-CG1 4.1Å; A558-V560 PolarHBondContact O-N 2.68Å; V560-P568 CarbonylContact O-C 3.58Å; V560-P568 VanDerWaalsContact O-CA 3.22Å; V560-P568 WeakPolarHBondContact O-CA 3.47Å; V560-L569 HydrophobicContact CB-CB 4.32Å; V560-L569 HydrophobicContact CG1-CB 3.75Å; V560-L569 HydrophobicContact CG1-CD1 3.68Å; V560-L569 HydrophobicContact CG1-CG 4.19Å; V560-L569 PolarHBondContact O-N 3.5Å; V560-F571 HydrophobicContact CG1-CE2 4.01Å
561	S	52.6	Low	58.2	Low	31 Å²	31	91.8 Å²	91.8	22%	0.217	53%	0.526	C	S	.	.	B	Isolated β-bridge	trans	-112.5	144.2	-169.5	73.8	0	0	0	0	109.6	T559 T563 D566 R567	T559-S561 PolarHBondContact O-N 2.75Å; S561-T563 PolarHBondContact O-N 3.27Å; S561-D566 WeakPolarHBondContact CB-OD1 3.09Å; S561-D566 PolarHBondContact OG-OD1 3.07Å; S561-R567 CarbonylContact C-O 3.27Å; S561-R567 WeakPolarHBondContact CA-O 3.43Å
562	C	46.5	Very low	55.8	Low	34 Å²	34	92.1 Å²	92.1	23%	0.23	51%	0.514	C	S	.	.			trans	-59.8	121.6	173.3	176.2	0	0	0	0	109	F564 C565 D566 R567 L569	C562-F564 PolarHBondContact O-N 3.36Å; C562-C565 VanDerWaalsContact CB-SG 3.51Å; C562-C565 PolarHBondContact O-N 2.96Å; C562-C565 VanDerWaalsContact O-N 3.07Å; C562-D566 WeakPolarHBondContact O-CA 3.37Å; C562-D566 PolarHBondContact O-N 2.78Å; C562-R567 PolarHBondContact N-O 2.97Å; C562-L569 HydrophobicContact CB-CD2 4.3Å
563	T	39.4	Very low	53.2	Low	140 Å²	140	97.4 Å²	97.4	86%	0.859	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.3	179.2	42.7	0	0	0	0	114.1	S561	S561-T563 PolarHBondContact O-N 3.27Å
564	F	35.7	Very low	50.7	Low	196 Å²	196	92 Å²	92	86%	0.86	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-33.6	175	-178.2	-99.7	0	0	0	113.9	C562	C562-F564 PolarHBondContact O-N 3.36Å
565	C	46.5	Very low	48.6	Very low	65 Å²	65	91.6 Å²	91.6	44%	0.439	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	6.3	-170	71	0	0	0	0	115.7	C562 R567	C562-C565 VanDerWaalsContact CB-SG 3.51Å; C562-C565 PolarHBondContact O-N 2.96Å; C562-C565 VanDerWaalsContact O-N 3.07Å; C565-R567 PolarHBondContact O-N 3.3Å
566	D	45.2	Very low	46.8	Very low	129 Å²	129	93.3 Å²	93.3	69%	0.69	52%	0.519	S	S	*	.			trans	55.8	19.5	176	-119.1	-5	0	0	0	115.5	S561 C562	S561-D566 WeakPolarHBondContact CB-OD1 3.09Å; S561-D566 PolarHBondContact OG-OD1 3.07Å; C562-D566 WeakPolarHBondContact O-CA 3.37Å; C562-D566 PolarHBondContact O-N 2.78Å
567	R	43.3	Very low	46.1	Very low	182 Å²	182	95.6 Å²	95.6	69%	0.687	51%	0.511	S	S	*	.			trans	-83.4	141.6	175.2	-69.9	-173.1	-179.2	-172.7	0.7	111.7	S561 C562 C565 L569	S561-R567 CarbonylContact C-O 3.27Å; S561-R567 WeakPolarHBondContact CA-O 3.43Å; C562-R567 PolarHBondContact N-O 2.97Å; C565-R567 PolarHBondContact O-N 3.3Å; R567-L569 PolarHBondContact O-N 3.02Å
568	P	48.2	Very low	45.6	Very low	111 Å²	111	91.2 Å²	91.2	72%	0.721	48%	0.48	S	S	*	.	B	Isolated β-bridge	trans	-51.9	124.7	170.9	-23.3	32.2	0	0	0	111.4	V560 H570	V560-P568 CarbonylContact O-C 3.58Å; V560-P568 VanDerWaalsContact O-CA 3.22Å; V560-P568 WeakPolarHBondContact O-CA 3.47Å; P568-H570 VanDerWaalsContact C-N 3.32Å; P568-H570 PolarHBondContact O-N 2.96Å
569	L	50	Low	45.8	Very low	56 Å²	56	91.3 Å²	91.3	29%	0.293	47%	0.47	S	S	.	.			trans	-70.5	90.5	171.7	-71	171.1	0	0	0	107.1	V560 C562 R567 F571	V560-L569 HydrophobicContact CB-CB 4.32Å; V560-L569 HydrophobicContact CG1-CB 3.75Å; V560-L569 HydrophobicContact CG1-CD1 3.68Å; V560-L569 HydrophobicContact CG1-CG 4.19Å; V560-L569 PolarHBondContact O-N 3.5Å; C562-L569 HydrophobicContact CB-CD2 4.3Å; R567-L569 PolarHBondContact O-N 3.02Å; L569-F571 HydrophobicContact CB-CD2 4.31Å; L569-F571 HydrophobicContact CB-CE2 3.83Å; L569-F571 HydrophobicContact CB-CZ 4.06Å; L569-F571 HydrophobicContact CD1-CE2 4.41Å; L569-F571 HydrophobicContact CD1-CZ 4.14Å; L569-F571 PolarHBondContact O-N 2.88Å; L569-F571 VanDerWaalsContact O-N 3.1Å
570	H	44	Very low	45.6	Very low	156 Å²	156	90.4 Å²	90.4	72%	0.722	47%	0.469	S	S	*	.			trans	-74.6	96.1	169.7	-158.1	-84.8	0	0	0	108.1	P568 D572	P568-H570 VanDerWaalsContact C-N 3.32Å; P568-H570 PolarHBondContact O-N 2.96Å; H570-D572 IonicContact CE1-OD1 2.63Å; H570-D572 PolarHBondContact CE1-OD1 3.49Å; H570-D572 IonicContact ND1-OD1 3.29Å; H570-D572 PolarHBondContact ND1-OD1 3.34Å; H570-D572 PolarHBondContact O-N 2.97Å
571	F	48.5	Very low	45.1	Very low	60 Å²	60	93.6 Å²	93.6	26%	0.263	48%	0.478	S	S	.	.			trans	-79.4	108.4	172.9	-68.6	-70.9	0	0	0	108.3	K462 L469 V560 L569 L573	K462-F571 VanDerWaalsContact CE-C 3.42Å; K462-F571 HydrophobicContact CG-CB 4.49Å; K462-F571 VanDerWaalsContact NZ-CB 3.32Å; K462-F571 PolarHBondContact NZ-O 2.81Å; L469-F571 HydrophobicContact CD1-CE2 4.15Å; V560-F571 HydrophobicContact CG1-CE2 4.01Å; L569-F571 HydrophobicContact CB-CD2 4.31Å; L569-F571 HydrophobicContact CB-CE2 3.83Å; L569-F571 HydrophobicContact CB-CZ 4.06Å; L569-F571 HydrophobicContact CD1-CE2 4.41Å; L569-F571 HydrophobicContact CD1-CZ 4.14Å; L569-F571 PolarHBondContact O-N 2.88Å; L569-F571 VanDerWaalsContact O-N 3.1Å; F571-L573 PolarHBondContact O-N 3.48Å
572	D	42.8	Very low	44.8	Very low	68 Å²	68	94.2 Å²	94.2	36%	0.364	48%	0.477	S	S	.	.			trans	-85.5	44.3	-160.2	-138.4	37.2	0	0	0	116.3	H570 M574 K579	H570-D572 IonicContact CE1-OD1 2.63Å; H570-D572 PolarHBondContact CE1-OD1 3.49Å; H570-D572 IonicContact ND1-OD1 3.29Å; H570-D572 PolarHBondContact ND1-OD1 3.34Å; H570-D572 PolarHBondContact O-N 2.97Å; D572-M574 CarbonylContact O-C 3.06Å; D572-M574 WeakPolarHBondContact O-CA 3.44Å; D572-M574 PolarHBondContact O-N 3.38Å; D572-K579 IonicContact OD2-NZ 2.69Å
573	L	41.5	Very low	44.8	Very low	134 Å²	134	94.2 Å²	94.2	70%	0.702	48%	0.483	S	S	*	.	S	Bend	trans	34.8	-57	-165	-75.6	174	0	0	0	118.6	K462 F571	K462-L573 VanDerWaalsContact CE-N 3.27Å; K462-L573 VanDerWaalsContact NZ-CA 3.27Å; F571-L573 PolarHBondContact O-N 3.48Å
574	M	39.8	Very low	44.9	Very low	37 Å²	37	93.9 Å²	93.9	18%	0.182	48%	0.476	C	S	.	.	S	Bend	trans	-120.3	125.7	155.9	-69.4	178.1	59.3	0	0	111	D572 E578 K579 G583 M585	D572-M574 CarbonylContact O-C 3.06Å; D572-M574 WeakPolarHBondContact O-CA 3.44Å; D572-M574 PolarHBondContact O-N 3.38Å; M574-E578 WeakPolarHBondContact CA-OE2 3.2Å; M574-E578 HydrophobicContact CB-CB 4.12Å; M574-E578 HydrophobicContact CE-CB 4.06Å; M574-E578 WeakPolarHBondContact CE-O 3.37Å; M574-K579 HydrophobicContact CB-CG 4.02Å; M574-K579 HydrophobicContact CE-CG 4.25Å; M574-K579 WeakPolarHBondContact O-CE 3.4Å; M574-G583 WeakPolarHBondContact CE-O 3.48Å; M574-M585 HydrophobicContact SD-CG 4.44Å
575	S	46.3	Very low	45.2	Very low	45 Å²	45	89.6 Å²	89.6	32%	0.315	46%	0.46	S	S	.	.			trans	-59.6	158.2	168.6	61	0	0	0	0	112.5	W577 E578 K579	S575-W577 PolarHBondContact O-N 3.5Å; S575-E578 PolarHBondContact N-OE2 2.82Å; S575-E578 WeakPolarHBondContact O-CA 3.18Å; S575-E578 WeakPolarHBondContact O-CB 3.43Å; S575-E578 PolarHBondContact O-N 3.08Å; S575-E578 VanDerWaalsContact OG-CG 3.27Å; S575-E578 WeakPolarHBondContact OG-CG 3.22Å; S575-E578 PolarHBondContact OG-N 3.47Å; S575-E578 PolarHBondContact OG-OE2 2.98Å; S575-K579 WeakPolarHBondContact O-CG 3.49Å; S575-K579 PolarHBondContact O-N 3.32Å
576	E	46.3	Very low	44.5	Very low	128 Å²	128	93.3 Å²	93.3	60%	0.598	47%	0.471	S	S	*	.	H	α-helix	trans	-55.4	-34.9	173.5	-72.1	-60.4	127	0	0	112.6	K579 S580	E576-K579 PolarHBondContact O-N 3.41Å; E576-K579 IonicContact OE1-NZ 3.03Å; E576-K579 PolarHBondContact OE1-NZ 2.81Å; E576-S580 VanDerWaalsContact O-CB 3.28Å; E576-S580 WeakPolarHBondContact O-CB 3.49Å; E576-S580 PolarHBondContact O-N 2.97Å
577	W	48.3	Very low	43.9	Very low	104 Å²	104	93.7 Å²	93.7	39%	0.394	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-46.6	171.9	175.9	87.5	0	0	0	111.5	R382 S575 K579 S580 Y581 F582	R382-W577 HydrophobicContact CB-CZ2 4.45Å; R382-W577 HydrophobicContact CG-CH2 3.57Å; R382-W577 HydrophobicContact CG-CZ2 3.28Å; S575-W577 PolarHBondContact O-N 3.5Å; W577-K579 PolarHBondContact O-N 3.01Å; W577-S580 PolarHBondContact O-N 3.17Å; W577-Y581 HydrophobicContact CZ2-CD1 4.38Å; W577-Y581 HydrophobicContact CZ2-CD2 4.45Å; W577-Y581 HydrophobicContact CZ2-CG 4.18Å; W577-Y581 VanDerWaalsContact O-CB 3.3Å; W577-Y581 WeakPolarHBondContact O-CB 3.15Å; W577-Y581 PolarHBondContact O-N 3.11Å; W577-F582 HydrophobicContact CH2-CE2 4.03Å; W577-F582 HydrophobicContact CH2-CZ 4.25Å; W577-F582 AromaticContact CZ3-CE2 3.94Å; W577-F582 HydrophobicContact CZ3-CE2 3.94Å
578	E	44.9	Very low	43.2	Very low	34 Å²	34	91.3 Å²	91.3	16%	0.159	48%	0.477	C	S	.	.	H	α-helix	trans	-63.4	-38.7	176.7	-74.2	166.2	134.6	0	0	112.4	M574 S575 F582	M574-E578 WeakPolarHBondContact CA-OE2 3.2Å; M574-E578 HydrophobicContact CB-CB 4.12Å; M574-E578 HydrophobicContact CE-CB 4.06Å; M574-E578 WeakPolarHBondContact CE-O 3.37Å; S575-E578 PolarHBondContact N-OE2 2.82Å; S575-E578 WeakPolarHBondContact O-CA 3.18Å; S575-E578 WeakPolarHBondContact O-CB 3.43Å; S575-E578 PolarHBondContact O-N 3.08Å; S575-E578 VanDerWaalsContact OG-CG 3.27Å; S575-E578 WeakPolarHBondContact OG-CG 3.22Å; S575-E578 PolarHBondContact OG-N 3.47Å; S575-E578 PolarHBondContact OG-OE2 2.98Å; E578-F582 HydrophobicContact CB-CD2 4.14Å; E578-F582 HydrophobicContact CG-CD2 4.33Å; E578-F582 HydrophobicContact CG-CE2 4.27Å; E578-F582 WeakPolarHBondContact O-CB 3.45Å; E578-F582 WeakPolarHBondContact O-CD2 3.36Å; E578-F582 PolarHBondContact O-N 2.74Å
579	K	51.3	Low	42.3	Very low	55 Å²	55	94.8 Å²	94.8	24%	0.239	48%	0.477	C	S	.	.	H	α-helix	trans	-64.7	-43.2	175	-67.3	175.7	-165	160.7	0	111.8	D572 M574 S575 E576 W577 G583 N584	D572-K579 IonicContact OD2-NZ 2.69Å; M574-K579 HydrophobicContact CB-CG 4.02Å; M574-K579 HydrophobicContact CE-CG 4.25Å; M574-K579 WeakPolarHBondContact O-CE 3.4Å; S575-K579 WeakPolarHBondContact O-CG 3.49Å; S575-K579 PolarHBondContact O-N 3.32Å; E576-K579 PolarHBondContact O-N 3.41Å; E576-K579 IonicContact OE1-NZ 3.03Å; E576-K579 PolarHBondContact OE1-NZ 2.81Å; W577-K579 PolarHBondContact O-N 3.01Å; K579-G583 CarbonylContact O-C 3.58Å; K579-G583 VanDerWaalsContact O-C 3.27Å; K579-G583 WeakPolarHBondContact O-CA 3.46Å; K579-G583 PolarHBondContact O-N 3.04Å; K579-N584 WeakPolarHBondContact CG-OD1 3.49Å
580	S	44.9	Very low	41.3	Very low	104 Å²	104	99.9 Å²	99.9	73%	0.727	50%	0.503	S	S	*	.	H	α-helix	trans	-64.5	-44	177.3	179.5	0	0	0	0	111.8	E576 W577	E576-S580 VanDerWaalsContact O-CB 3.28Å; E576-S580 WeakPolarHBondContact O-CB 3.49Å; E576-S580 PolarHBondContact O-N 2.97Å; W577-S580 PolarHBondContact O-N 3.17Å
581	Y	41	Very low	40.4	Very low	96 Å²	96	98 Å²	98	38%	0.376	50%	0.502	S	S	.	.	H	α-helix	trans	-85.6	-30.6	-171.5	-146.1	-97.1	0	0	0	113.6	A374 W577	A374-Y581 HydrophobicContact CB-CE1 3.74Å; W577-Y581 HydrophobicContact CZ2-CD1 4.38Å; W577-Y581 HydrophobicContact CZ2-CD2 4.45Å; W577-Y581 HydrophobicContact CZ2-CG 4.18Å; W577-Y581 VanDerWaalsContact O-CB 3.3Å; W577-Y581 WeakPolarHBondContact O-CB 3.15Å; W577-Y581 PolarHBondContact O-N 3.11Å
582	F	46.8	Very low	39.6	Very low	44 Å²	44	101.1 Å²	101.1	19%	0.193	53%	0.526	C	S	.	.	H	α-helix	trans	-114.5	-2.1	-177.8	-54	-67.4	0	0	0	114.9	R455 W577 E578	R455-F582 HydrophobicContact CG-CB 4.28Å; R455-F582 HydrophobicContact CG-CD1 4.25Å; R455-F582 HydrophobicContact CG-CD2 4.25Å; R455-F582 HydrophobicContact CG-CG 4.01Å; W577-F582 HydrophobicContact CH2-CE2 4.03Å; W577-F582 HydrophobicContact CH2-CZ 4.25Å; W577-F582 AromaticContact CZ3-CE2 3.94Å; W577-F582 HydrophobicContact CZ3-CE2 3.94Å; E578-F582 HydrophobicContact CB-CD2 4.14Å; E578-F582 HydrophobicContact CG-CD2 4.33Å; E578-F582 HydrophobicContact CG-CE2 4.27Å; E578-F582 WeakPolarHBondContact O-CB 3.45Å; E578-F582 WeakPolarHBondContact O-CD2 3.36Å; E578-F582 PolarHBondContact O-N 2.74Å
583	G	45.3	Very low	38.8	Very low	35 Å²	35	103.3 Å²	103.3	36%	0.361	55%	0.547	S	S	.	.			trans	84.7	159.9	-175.6	0	0	0	0	0	113.7	M574 K579	M574-G583 WeakPolarHBondContact CE-O 3.48Å; K579-G583 CarbonylContact O-C 3.58Å; K579-G583 VanDerWaalsContact O-C 3.27Å; K579-G583 WeakPolarHBondContact O-CA 3.46Å; K579-G583 PolarHBondContact O-N 3.04Å
584	N	42.7	Very low	38.3	Very low	132 Å²	132	105.1 Å²	105.1	71%	0.706	58%	0.581	S	S	*	*			trans	-72.3	125.2	170.5	-83.5	-15.9	0	0	0	109.8	K579	K579-N584 WeakPolarHBondContact CG-OD1 3.49Å
585	M	40.7	Very low	38.2	Very low	106 Å²	106	108.6 Å²	108.6	52%	0.522	60%	0.601	S	S	.	*			trans	-89.7	105.3	162.6	-62.1	-151.7	-55.5	0	0	108	M574	M574-M585 HydrophobicContact SD-CG 4.44Å
586	E	32.7	Very low	37.8	Very low	144 Å²	144	111.9 Å²	111.9	67%	0.673	62%	0.616	S	S	*	*			trans	-60.5	150.1	153.5	-75	-160.9	169.6	0	0	108.5	Q588	E586-Q588 HydrophobicContact CB-CG 4.4Å; E586-Q588 PolarHBondContact O-N 3.48Å
587	P	31.8	Very low	37.3	Very low	136 Å²	136	111 Å²	111	88%	0.883	62%	0.617	S	S	*	*			trans	-66.4	81.4	178.1	28.4	-33.7	0	0	0	109.5
588	Q	30.3	Very low	36.7	Very low	132 Å²	132	111.4 Å²	111.4	62%	0.617	63%	0.63	S	S	*	*			trans	-114.1	105.9	176.3	-73.1	-163.5	6.1	0	0	108.7	E586	E586-Q588 HydrophobicContact CB-CG 4.4Å; E586-Q588 PolarHBondContact O-N 3.48Å
589	Y	28.6	Very low	36.2	Very low	185 Å²	185	116.3 Å²	116.3	73%	0.725	66%	0.66	S	S	*	*			trans	84	75.7	164.3	-49.6	-76	0	0	0	118	T591	Y589-T591 HydrophobicContact CD1-CG2 4.37Å
590	I	29.4	Very low	35.2	Very low	163 Å²	163	120.3 Å²	120.3	84%	0.836	69%	0.688	S	S	*	*			trans	-83.2	91	131.7	-57.5	173.1	0	0	0	105.8	V592	I590-V592 HydrophobicContact CG2-CG2 3.8Å
591	T	25.3	Very low	34.5	Very low	115 Å²	115	121.5 Å²	121.5	71%	0.706	69%	0.685	S	S	*	*			trans	-97.6	98.1	158.8	28.2	0	0	0	0	107.6	Y589 S593	Y589-T591 HydrophobicContact CD1-CG2 4.37Å; T591-S593 PolarHBondContact O-N 3.35Å
592	V	30.8	Very low	34	Very low	126 Å²	126	123.5 Å²	123.5	76%	0.764	71%	0.709	S	S	*	*			trans	-60.5	120.3	157.7	-164.2	0	0	0	0	106.4	I590	I590-V592 HydrophobicContact CG2-CG2 3.8Å
593	S	26.4	Very low	32.9	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	75%	0.751	S	S	*	*			trans	-99.6	124.9	158.3	62.4	0	0	0	0	107.7	T591	T591-S593 PolarHBondContact O-N 3.35Å
594	A	30.8	Very low	31.8	Very low	172 Å²	172	138.7 Å²	138.7	100%	1.421	79%	0.787	S	S	*	*			trans	-56.8	0	-178.5	0	0	0	0	0	114.6

Retrieved 594 of 594 residues in 2435.6 ms (Link to these results)

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