A0A077ZIH6_TRITR Loading...

2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial

Methyltransferase required for the conversion of 2-polyprenyl-6-methoxy-1,4-benzoquinol (DDMQH2) to 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2).

AlphaFold DB , UniProt , Accession A0A077ZIH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 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	44.7	Very low	52.1	Low	243 Å²	243	113 Å²	113	100%	1.197	65%	0.649	S	S	*	*				0	107	0	-85.3	174.1	164.7	0	0	108
2	L	45.5	Very low	51.6	Low	185 Å²	185	112.3 Å²	112.3	97%	0.969	64%	0.641	S	S	*	*			trans	-86.4	114.9	177.9	-73.8	161.4	0	0	0	108.1
3	V	48.1	Very low	51.2	Low	112 Å²	112	117.2 Å²	117.2	68%	0.679	64%	0.643	S	S	*	*			trans	-71.8	128.3	177	-179.8	0	0	0	0	108.3	T7	V3-T7 HydrophobicContact CG1-CG2 4.17Å
4	S	54.6	Low	50.8	Low	51 Å²	51	114.1 Å²	114.1	36%	0.357	63%	0.629	S	S	.	*			trans	-66.6	146.7	-175.8	79.7	0	0	0	0	111.5	T6 T7	S4-T6 PolarHBondContact O-N 2.7Å; S4-T6 VanDerWaalsContact O-N 3.1Å; S4-T6 PolarHBondContact OG-OG1 2.74Å; S4-T7 PolarHBondContact O-N 3.44Å; S4-T7 PolarHBondContact OG-OG1 2.89Å; S4-T7 VanDerWaalsContact OG-OG1 3.09Å
5	P	60.2	Low	50.4	Low	115 Å²	115	112.5 Å²	112.5	75%	0.747	62%	0.618	S	S	*	*	H	α-helix	trans	-55.3	-30.4	-179.4	-25.5	32.9	0	0	0	114.3	L9	P5-L9 PolarHBondContact O-N 2.81Å
6	T	62.3	Low	50	Low	105 Å²	105	108.5 Å²	108.5	64%	0.644	60%	0.604	S	S	*	*	H	α-helix	trans	-66.7	-34.1	177.8	17.8	0	0	0	0	113	S4 V10	S4-T6 PolarHBondContact O-N 2.7Å; S4-T6 VanDerWaalsContact O-N 3.1Å; S4-T6 PolarHBondContact OG-OG1 2.74Å; T6-V10 WeakPolarHBondContact O-CG2 3.34Å; T6-V10 PolarHBondContact O-N 2.77Å
7	T	56.9	Low	49.5	Very low	80 Å²	80	107.5 Å²	107.5	49%	0.491	60%	0.598	S	S	.	*	H	α-helix	trans	-70.6	-37.1	-179.5	-47.2	0	0	0	0	111.4	V3 S4 A11	V3-T7 HydrophobicContact CG1-CG2 4.17Å; S4-T7 PolarHBondContact O-N 3.44Å; S4-T7 PolarHBondContact OG-OG1 2.89Å; S4-T7 VanDerWaalsContact OG-OG1 3.09Å; T7-A11 PolarHBondContact O-N 2.74Å; T7-A11 VanDerWaalsContact O-N 3.14Å
8	L	43.2	Very low	48.9	Very low	110 Å²	110	107 Å²	107	58%	0.576	59%	0.593	S	S	*	*	H	α-helix	trans	-67.6	-39.2	177.8	-167.3	72.4	0	0	0	112	A11 L12	L8-A11 PolarHBondContact O-N 2.78Å; L8-L12 HydrophobicContact CG-CD1 4.32Å; L8-L12 WeakPolarHBondContact O-CG 3.2Å; L8-L12 PolarHBondContact O-N 2.73Å
9	L	46.3	Very low	48.6	Very low	102 Å²	102	109.7 Å²	109.7	53%	0.534	59%	0.594	S	S	.	*	H	α-helix	trans	-67.4	-37.1	-180	-150	96.8	0	0	0	112.3	P5 R13	P5-L9 PolarHBondContact O-N 2.81Å; L9-R13 WeakPolarHBondContact O-CG 3.03Å; L9-R13 PolarHBondContact O-N 2.78Å; L9-R13 VanDerWaalsContact O-N 3.1Å
10	V	60.2	Low	48.1	Very low	94 Å²	94	112.3 Å²	112.3	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-67.2	-45.1	174.9	174.7	0	0	0	0	110.4	T6 L12 R13 T14	T6-V10 WeakPolarHBondContact O-CG2 3.34Å; T6-V10 PolarHBondContact O-N 2.77Å; V10-L12 PolarHBondContact O-N 3.1Å; V10-R13 PolarHBondContact O-N 3.33Å; V10-T14 PolarHBondContact O-N 3.17Å; V10-T14 PolarHBondContact O-OG1 3.15Å
11	A	51.5	Low	47.7	Very low	46 Å²	46	114.9 Å²	114.9	38%	0.38	60%	0.597	S	S	.	*	H	α-helix	trans	-60.2	-43.8	177.2	0	0	0	0	0	112.4	T7 L8 R13 T14 I15	T7-A11 PolarHBondContact O-N 2.74Å; T7-A11 VanDerWaalsContact O-N 3.14Å; L8-A11 PolarHBondContact O-N 2.78Å; A11-R13 PolarHBondContact O-N 2.98Å; A11-T14 PolarHBondContact O-N 3.06Å; A11-I15 VanDerWaalsContact O-CG1 3.29Å; A11-I15 WeakPolarHBondContact O-CG1 3.03Å; A11-I15 PolarHBondContact O-N 3.01Å
12	L	46.1	Very low	47.8	Very low	105 Å²	105	109.1 Å²	109.1	55%	0.55	57%	0.567	S	S	.	*	H	α-helix	trans	-64	-38.8	176.7	-74.2	169.1	0	0	0	112.5	L8 V10 A16	L8-L12 HydrophobicContact CG-CD1 4.32Å; L8-L12 WeakPolarHBondContact O-CG 3.2Å; L8-L12 PolarHBondContact O-N 2.73Å; V10-L12 PolarHBondContact O-N 3.1Å; L12-A16 VanDerWaalsContact O-CB 3.29Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 2.96Å
13	R	46.7	Very low	47.9	Very low	176 Å²	176	105.8 Å²	105.8	66%	0.664	55%	0.546	S	S	*	.	H	α-helix	trans	-67.2	-39.3	174.5	-78	-177.4	176.1	-168.4	-0.2	112.2	L9 V10 A11 A16 N17	L9-R13 WeakPolarHBondContact O-CG 3.03Å; L9-R13 PolarHBondContact O-N 2.78Å; L9-R13 VanDerWaalsContact O-N 3.1Å; V10-R13 PolarHBondContact O-N 3.33Å; A11-R13 PolarHBondContact O-N 2.98Å; R13-A16 PolarHBondContact O-N 3.33Å; R13-N17 WeakPolarHBondContact O-CB 3.32Å; R13-N17 VanDerWaalsContact O-CG 3.24Å; R13-N17 PolarHBondContact O-N 3.09Å; R13-N17 PolarHBondContact O-ND2 2.99Å
14	T	44.5	Very low	47.7	Very low	74 Å²	74	106.5 Å²	106.5	45%	0.454	54%	0.542	S	S	.	.	H	α-helix	trans	-67	-41.8	176.6	-52.9	0	0	0	0	111.4	V10 A11 N17 L18	V10-T14 PolarHBondContact O-N 3.17Å; V10-T14 PolarHBondContact O-OG1 3.15Å; A11-T14 PolarHBondContact O-N 3.06Å; T14-N17 PolarHBondContact O-N 2.8Å; T14-L18 HydrophobicContact CG2-CD1 4.02Å; T14-L18 WeakPolarHBondContact O-CB 3.46Å; T14-L18 WeakPolarHBondContact O-CG 3.49Å; T14-L18 PolarHBondContact O-N 2.8Å
15	I	44.9	Very low	47.2	Very low	89 Å²	89	107.2 Å²	107.2	46%	0.456	55%	0.547	S	S	.	.	H	α-helix	trans	-64	-45	174.2	-66.9	167.3	0	0	0	110.4	A11 N17 L18 W19	A11-I15 VanDerWaalsContact O-CG1 3.29Å; A11-I15 WeakPolarHBondContact O-CG1 3.03Å; A11-I15 PolarHBondContact O-N 3.01Å; I15-N17 VanDerWaalsContact C-N 3.3Å; I15-N17 PolarHBondContact O-N 3.42Å; I15-L18 PolarHBondContact O-N 3.43Å; I15-W19 WeakPolarHBondContact O-CB 3.32Å; I15-W19 VanDerWaalsContact O-CD1 3.24Å; I15-W19 PolarHBondContact O-N 3.47Å
16	A	45	Very low	46.7	Very low	49 Å²	49	110.7 Å²	110.7	41%	0.405	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-36.6	177.1	0	0	0	0	0	112.5	L12 R13 R20	L12-A16 VanDerWaalsContact O-CB 3.29Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 2.96Å; R13-A16 PolarHBondContact O-N 3.33Å; A16-R20 VanDerWaalsContact O-CB 3.31Å; A16-R20 WeakPolarHBondContact O-CB 3.37Å; A16-R20 PolarHBondContact O-N 3.31Å
17	N	41.3	Very low	46.2	Very low	91 Å²	91	111.1 Å²	111.1	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-72	-38.8	175.3	-74.7	-15.9	0	0	0	112.1	R13 T14 I15 R20 Y21	R13-N17 WeakPolarHBondContact O-CB 3.32Å; R13-N17 VanDerWaalsContact O-CG 3.24Å; R13-N17 PolarHBondContact O-N 3.09Å; R13-N17 PolarHBondContact O-ND2 2.99Å; T14-N17 PolarHBondContact O-N 2.8Å; I15-N17 VanDerWaalsContact C-N 3.3Å; I15-N17 PolarHBondContact O-N 3.42Å; N17-R20 PolarHBondContact O-N 2.82Å; N17-Y21 WeakPolarHBondContact O-CB 3.35Å; N17-Y21 PolarHBondContact O-N 3.49Å
18	L	39.1	Very low	46	Very low	99 Å²	99	115.1 Å²	115.1	52%	0.518	56%	0.559	S	S	.	*	H	α-helix	trans	-62.6	-44.5	172.5	-81.4	160.4	0	0	0	111.1	T14 I15 R20 Y21 E22	T14-L18 HydrophobicContact CG2-CD1 4.02Å; T14-L18 WeakPolarHBondContact O-CB 3.46Å; T14-L18 WeakPolarHBondContact O-CG 3.49Å; T14-L18 PolarHBondContact O-N 2.8Å; I15-L18 PolarHBondContact O-N 3.43Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 3.21Å; L18-Y21 PolarHBondContact O-N 3.42Å; L18-E22 WeakPolarHBondContact O-CB 3.12Å; L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 2.9Å
19	W	43.2	Very low	46.5	Very low	159 Å²	159	111.5 Å²	111.5	60%	0.602	54%	0.542	S	S	*	.	H	α-helix	trans	-61.7	-40.7	174.1	-90.9	74.8	0	0	0	112.4	I15 H23	I15-W19 WeakPolarHBondContact O-CB 3.32Å; I15-W19 VanDerWaalsContact O-CD1 3.24Å; I15-W19 PolarHBondContact O-N 3.47Å; W19-H23 AromaticContact CE3-CE1 3.84Å; W19-H23 AromaticContact CZ3-CE1 3.9Å; W19-H23 WeakPolarHBondContact O-CB 3.43Å; W19-H23 PolarHBondContact O-N 2.95Å; W19-H23 PolarHBondContact O-ND1 3.41Å
20	R	38.6	Very low	47.1	Very low	160 Å²	160	111.3 Å²	111.3	60%	0.604	54%	0.541	S	S	*	.	H	α-helix	trans	-67.9	-36.8	176.8	-168.2	178.5	-77.3	137.1	-7.9	111.6	A16 N17 L18 Q24	A16-R20 VanDerWaalsContact O-CB 3.31Å; A16-R20 WeakPolarHBondContact O-CB 3.37Å; A16-R20 PolarHBondContact O-N 3.31Å; N17-R20 PolarHBondContact O-N 2.82Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-R20 PolarHBondContact O-N 3.21Å; R20-Q24 WeakPolarHBondContact O-CB 3.23Å; R20-Q24 PolarHBondContact O-N 2.89Å
21	Y	39.9	Very low	47.2	Very low	168 Å²	168	117 Å²	117	66%	0.659	56%	0.558	S	S	*	*	H	α-helix	trans	-70.2	-46.5	175.6	-131.7	-92.4	0	0	0	111.3	N17 L18 H23 Q24 S25	N17-Y21 WeakPolarHBondContact O-CB 3.35Å; N17-Y21 PolarHBondContact O-N 3.49Å; L18-Y21 PolarHBondContact O-N 3.42Å; Y21-H23 VanDerWaalsContact C-N 3.25Å; Y21-H23 PolarHBondContact O-N 3.48Å; Y21-Q24 PolarHBondContact O-N 3.34Å; Y21-Q24 VanDerWaalsContact O-N 3.13Å; Y21-S25 WeakPolarHBondContact O-CB 3.38Å; Y21-S25 PolarHBondContact O-N 2.88Å; Y21-S25 PolarHBondContact O-OG 3.48Å
22	E	46.4	Very low	47.9	Very low	121 Å²	121	119.2 Å²	119.2	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-60.2	-34.2	175.9	-77.3	-176.3	168.1	0	0	112.6	L18 R26	L18-E22 WeakPolarHBondContact O-CB 3.12Å; L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 2.9Å; E22-R26 PolarHBondContact O-N 2.73Å
23	H	47.5	Very low	49.1	Very low	115 Å²	115	117.9 Å²	117.9	53%	0.532	56%	0.562	S	S	.	*	H	α-helix	trans	-76.7	-33.2	174.4	-84	55.9	0	0	0	113.5	W19 Y21	W19-H23 AromaticContact CE3-CE1 3.84Å; W19-H23 AromaticContact CZ3-CE1 3.9Å; W19-H23 WeakPolarHBondContact O-CB 3.43Å; W19-H23 PolarHBondContact O-N 2.95Å; W19-H23 PolarHBondContact O-ND1 3.41Å; Y21-H23 VanDerWaalsContact C-N 3.25Å; Y21-H23 PolarHBondContact O-N 3.48Å
24	Q	44.4	Very low	51	Low	127 Å²	127	115.9 Å²	115.9	59%	0.593	56%	0.56	S	S	*	*	H	α-helix	trans	-71.2	-37.5	173.7	-96.5	-178.6	-30.2	0	0	112.3	R20 Y21 R26 N27	R20-Q24 WeakPolarHBondContact O-CB 3.23Å; R20-Q24 PolarHBondContact O-N 2.89Å; Y21-Q24 PolarHBondContact O-N 3.34Å; Y21-Q24 VanDerWaalsContact O-N 3.13Å; Q24-R26 PolarHBondContact O-N 3.11Å; Q24-N27 PolarHBondContact O-N 3.26Å
25	S	43	Very low	53.1	Low	66 Å²	66	115.8 Å²	115.8	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-66.2	-24.4	177.7	-52.7	0	0	0	0	113.2	Y21 N27	Y21-S25 WeakPolarHBondContact O-CB 3.38Å; Y21-S25 PolarHBondContact O-N 2.88Å; Y21-S25 PolarHBondContact O-OG 3.48Å; S25-N27 VanDerWaalsContact C-N 3.34Å; S25-N27 PolarHBondContact O-N 3.41Å
26	R	49.6	Very low	55.3	Low	188 Å²	188	112.4 Å²	112.4	71%	0.709	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.1	-178.5	-87.7	-177.4	167.3	-174.7	-2.8	115.1	E22 Q24	E22-R26 PolarHBondContact O-N 2.73Å; Q24-R26 PolarHBondContact O-N 3.11Å
27	N	51.3	Low	57.3	Low	115 Å²	115	114.2 Å²	114.2	62%	0.615	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	25.2	-177.1	-78.6	-26	0	0	0	113.5	Q24 S25 V29	Q24-N27 PolarHBondContact O-N 3.26Å; S25-N27 VanDerWaalsContact C-N 3.34Å; S25-N27 PolarHBondContact O-N 3.41Å; N27-V29 PolarHBondContact O-N 3.41Å
28	M	52.5	Low	59.6	Low	164 Å²	164	111 Å²	111	81%	0.808	53%	0.525	S	S	*	.			trans	-76.4	65.3	171.2	-74.2	-170	175	0	0	111
29	V	54	Low	62	Low	34 Å²	34	106.4 Å²	106.4	21%	0.206	50%	0.501	C	S	.	.			trans	-87.7	120.9	155.5	-173.9	0	0	0	0	106.3	N27 K31 Q33 T35 A44	N27-V29 PolarHBondContact O-N 3.41Å; V29-K31 PolarHBondContact O-N 2.9Å; V29-Q33 HydrophobicContact CG1-CB 3.8Å; V29-T35 HydrophobicContact CB-CG2 4.06Å; V29-T35 HydrophobicContact CG1-CG2 3.61Å; V29-T35 HydrophobicContact CG2-CG2 4.18Å; V29-A44 HydrophobicContact CG1-CB 4.25Å
30	D	60.3	Low	64.3	Low	98 Å²	98	103.9 Å²	103.9	52%	0.524	50%	0.495	S	S	.	.			trans	-54.4	135	172.6	179.3	23.6	0	0	0	108.7	S32 Q33	D30-S32 PolarHBondContact O-N 3.49Å; D30-S32 PolarHBondContact OD2-OG 2.95Å; D30-Q33 HydrophobicContact CB-CG 4.34Å; D30-Q33 PolarHBondContact O-N 2.63Å
31	K	61.2	Low	66.7	Low	213 Å²	213	100.4 Å²	100.4	93%	0.926	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.9	-174.7	-78.6	-175.7	176.5	-179.9	0	113.2	V29	V29-K31 PolarHBondContact O-N 2.9Å
32	S	66.2	Low	69.1	Low	93 Å²	93	95 Å²	95	65%	0.65	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.9	176.3	75.3	0	0	0	0	114.1	D30	D30-S32 PolarHBondContact O-N 3.49Å; D30-S32 PolarHBondContact OD2-OG 2.95Å
33	Q	72.6	Confident	71.2	Confident	76 Å²	76	89.7 Å²	89.7	36%	0.355	45%	0.445	S	S	.	.	S	Bend	trans	-90.6	134.5	-172.8	-68.7	-173.3	-21.5	0	0	112.2	V29 D30 T35	V29-Q33 HydrophobicContact CG1-CB 3.8Å; D30-Q33 HydrophobicContact CB-CG 4.34Å; D30-Q33 PolarHBondContact O-N 2.63Å; Q33-T35 PolarHBondContact O-N 2.92Å
34	E	86	Confident	73.2	Confident	135 Å²	135	84.3 Å²	84.3	63%	0.631	42%	0.421	S	S	*	.			trans	-64.1	132.5	171.2	-64.3	-172.3	176.6	0	0	110.7	K45	E34-K45 HydrophobicContact CB-CD 3.75Å; E34-K45 HydrophobicContact CB-CG 4.17Å; E34-K45 PolarHBondContact O-N 3.08Å; E34-K45 WeakPolarHBondContact OE2-CD 3.42Å; E34-K45 WeakPolarHBondContact OE2-CE 3.42Å; E34-K45 IonicContact OE2-NZ 2.93Å; E34-K45 PolarHBondContact OE2-NZ 2.69Å
35	T	88.4	Confident	75.3	Confident	71 Å²	71	81.5 Å²	81.5	44%	0.436	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	162.8	-177.6	53.8	0	0	0	0	113	V29 Q33 T42 V43	V29-T35 HydrophobicContact CB-CG2 4.06Å; V29-T35 HydrophobicContact CG1-CG2 3.61Å; V29-T35 HydrophobicContact CG2-CG2 4.18Å; Q33-T35 PolarHBondContact O-N 2.92Å; T35-T42 HydrophobicContact CG2-CG2 3.93Å; T35-V43 CarbonylContact C-O 3.52Å; T35-V43 VanDerWaalsContact CA-O 3.32Å; T35-V43 WeakPolarHBondContact CA-O 3.31Å
36	T	91	Very high	77.5	Confident	19 Å²	19	85.4 Å²	85.4	12%	0.117	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	177.9	173.3	-169.9	0	0	0	0	109.9	T42 V43 K45 K48 T174	T36-T42 WeakPolarHBondContact O-CA 3.39Å; T36-V43 HydrophobicContact CG2-CG2 3.95Å; T36-V43 PolarHBondContact N-O 3.24Å; T36-V43 PolarHBondContact O-N 2.93Å; T36-K45 HydrophobicContact CG2-CG 4.1Å; T36-K48 HydrophobicContact CG2-CB 3.79Å; T36-K48 HydrophobicContact CG2-CD 3.41Å; T36-K48 VanDerWaalsContact CG2-CD 3.41Å; T36-K48 HydrophobicContact CG2-CG 4.24Å; T36-K48 PolarHBondContact OG1-NZ 3.04Å; T36-T174 HydrophobicContact CG2-CG2 3.95Å
37	H	86.9	Confident	79.4	Confident	86 Å²	86	81.3 Å²	81.3	40%	0.398	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.7	179.5	-58.3	-61.9	0	0	0	112.6	Q41 K48 M241	H37-Q41 WeakPolarHBondContact CA-O 3.21Å; H37-K48 WeakPolarHBondContact O-CD 3.31Å; H37-K48 WeakPolarHBondContact O-CE 3.39Å; H37-K48 PolarHBondContact O-NZ 3.47Å; H37-M241 HydrophobicContact CB-CE 4.2Å; H37-M241 VanDerWaalsContact CD2-CE 3.43Å; H37-M241 WeakPolarHBondContact CD2-CE 3.29Å
38	F	89.5	Confident	81.3	Confident	24 Å²	24	76.1 Å²	76.1	11%	0.105	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	95.7	163	-179.3	-91.8	0	0	0	108.2	F40 Q41 V43 M51 V52 V55 Y234	F38-F40 PolarHBondContact O-N 3.44Å; F38-Q41 PolarHBondContact N-O 3.4Å; F38-Q41 WeakPolarHBondContact O-CB 3.47Å; F38-Q41 PolarHBondContact O-N 2.93Å; F38-V43 HydrophobicContact CB-CG1 4.02Å; F38-V43 HydrophobicContact CB-CG2 3.84Å; F38-M51 HydrophobicContact CB-CE 4.29Å; F38-M51 HydrophobicContact CB-SD 4.46Å; F38-M51 HydrophobicContact CD1-CE 3.47Å; F38-M51 VanDerWaalsContact CD1-CE 3.47Å; F38-M51 HydrophobicContact CD2-CB 3.71Å; F38-M51 HydrophobicContact CD2-CE 4.17Å; F38-M51 HydrophobicContact CD2-SD 4.35Å; F38-M51 HydrophobicContact CE1-CE 3.74Å; F38-M51 HydrophobicContact CE2-CB 3.5Å; F38-M51 HydrophobicContact CE2-CE 4.41Å; F38-M51 HydrophobicContact CG-CB 4.42Å; F38-M51 HydrophobicContact CG-CE 3.71Å; F38-M51 HydrophobicContact CG-SD 4.2Å; F38-M51 HydrophobicContact CZ-CB 4.05Å; F38-M51 HydrophobicContact CZ-CE 4.2Å; F38-V52 HydrophobicContact CD2-CG2 4.2Å; F38-V52 HydrophobicContact CE2-CG2 4.1Å; F38-V55 HydrophobicContact CE2-CG2 4.29Å; F38-V55 HydrophobicContact CZ-CG2 3.8Å; F38-Y234 AromaticContact CD1-CD2 3.86Å; F38-Y234 HydrophobicContact CD1-CD2 3.86Å; F38-Y234 HydrophobicContact CD1-CE2 4.16Å; F38-Y234 AromaticContact CD2-CD2 3.87Å; F38-Y234 HydrophobicContact CD2-CD2 3.87Å; F38-Y234 AromaticContact CD2-CE2 3.39Å; F38-Y234 HydrophobicContact CD2-CE2 3.39Å; F38-Y234 AromaticContact CE1-CD2 3.55Å; F38-Y234 HydrophobicContact CE1-CD2 3.55Å; F38-Y234 HydrophobicContact CE1-CE2 4.13Å; F38-Y234 HydrophobicContact CE1-CG 4.22Å; F38-Y234 AromaticContact CE2-CD2 3.55Å; F38-Y234 HydrophobicContact CE2-CD2 3.55Å; F38-Y234 AromaticContact CE2-CE2 3.35Å; F38-Y234 HydrophobicContact CE2-CE2 3.35Å; F38-Y234 HydrophobicContact CE2-CG 4.21Å; F38-Y234 AromaticContact CE2-CZ 3.88Å; F38-Y234 HydrophobicContact CG-CD2 4.01Å; F38-Y234 AromaticContact CG-CE2 3.81Å; F38-Y234 HydrophobicContact CG-CE2 3.81Å; F38-Y234 AromaticContact CZ-CD2 3.4Å; F38-Y234 HydrophobicContact CZ-CD2 3.4Å; F38-Y234 AromaticContact CZ-CE2 3.75Å; F38-Y234 HydrophobicContact CZ-CE2 3.75Å; F38-Y234 AromaticContact CZ-CG 3.85Å; F38-Y234 HydrophobicContact CZ-CG 3.85Å
39	G	90.6	Very high	83	Confident	2 Å²	2	70 Å²	70	2%	0.021	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-130.6	-164.6	0	0	0	0	0	109.9	Q41 E237 M241	G39-Q41 VanDerWaalsContact C-N 3.32Å; G39-E237 VanDerWaalsContact CA-CB 3.47Å; G39-E237 WeakPolarHBondContact CA-OE2 3.39Å; G39-M241 VanDerWaalsContact O-CG 3.31Å; G39-M241 WeakPolarHBondContact O-CG 3.38Å
40	F	89.9	Confident	84.7	Confident	107 Å²	107	73.6 Å²	73.6	47%	0.469	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.9	175.2	-63.4	-27.9	0	0	0	114.6	F38 F215 E237 R240 M241	F38-F40 PolarHBondContact O-N 3.44Å; F40-F215 AromaticContact CE2-CE1 3.87Å; F40-F215 HydrophobicContact CE2-CE1 3.87Å; F40-F215 AromaticContact CE2-CZ 3.92Å; F40-F215 HydrophobicContact CE2-CZ 3.92Å; F40-F215 HydrophobicContact CZ-CE1 4.14Å; F40-F215 AromaticContact CZ-CZ 3.79Å; F40-F215 HydrophobicContact CZ-CZ 3.79Å; F40-E237 HydrophobicContact CD1-CB 4.09Å; F40-E237 HydrophobicContact CD1-CG 4.33Å; F40-E237 HydrophobicContact CD2-CB 4.24Å; F40-E237 HydrophobicContact CD2-CG 3.57Å; F40-E237 HydrophobicContact CE1-CB 4.21Å; F40-E237 HydrophobicContact CE1-CG 4.43Å; F40-E237 HydrophobicContact CE2-CB 4.36Å; F40-E237 HydrophobicContact CE2-CG 3.71Å; F40-E237 HydrophobicContact CG-CB 4.11Å; F40-E237 HydrophobicContact CG-CG 3.91Å; F40-E237 HydrophobicContact CZ-CB 4.36Å; F40-E237 HydrophobicContact CZ-CG 4.16Å; F40-E237 PolarHBondContact N-OE2 2.89Å; F40-R240 HydrophobicContact CE1-CB 3.93Å; F40-R240 HydrophobicContact CE1-CG 4.46Å; F40-R240 HydrophobicContact CZ-CB 4.25Å; F40-R240 HydrophobicContact CZ-CG 4.29Å; F40-M241 HydrophobicContact CD1-CG 4.19Å; F40-M241 HydrophobicContact CD1-SD 4.02Å; F40-M241 HydrophobicContact CE1-CG 4.42Å; F40-M241 HydrophobicContact CE1-SD 4.17Å
41	Q	90.3	Very high	86.1	Confident	87 Å²	87	71.5 Å²	71.5	41%	0.407	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.7	178.2	-57.2	-179.3	14.6	0	0	110.6	H37 F38 G39 V43	H37-Q41 WeakPolarHBondContact CA-O 3.21Å; F38-Q41 PolarHBondContact N-O 3.4Å; F38-Q41 WeakPolarHBondContact O-CB 3.47Å; F38-Q41 PolarHBondContact O-N 2.93Å; G39-Q41 VanDerWaalsContact C-N 3.32Å; Q41-V43 HydrophobicContact CB-CG1 4.31Å
42	T	90.4	Very high	87.4	Confident	54 Å²	54	61.9 Å²	61.9	33%	0.331	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.4	168.8	-58.9	0	0	0	0	108.2	T35 T36	T35-T42 HydrophobicContact CG2-CG2 3.93Å; T36-T42 WeakPolarHBondContact O-CA 3.39Å
43	V	89.8	Confident	88.5	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.3	-175.4	-59.7	0	0	0	0	110.1	T35 T36 F38 Q41 K48 M51	T35-V43 CarbonylContact C-O 3.52Å; T35-V43 VanDerWaalsContact CA-O 3.32Å; T35-V43 WeakPolarHBondContact CA-O 3.31Å; T36-V43 HydrophobicContact CG2-CG2 3.95Å; T36-V43 PolarHBondContact N-O 3.24Å; T36-V43 PolarHBondContact O-N 2.93Å; F38-V43 HydrophobicContact CB-CG1 4.02Å; F38-V43 HydrophobicContact CB-CG2 3.84Å; Q41-V43 HydrophobicContact CB-CG1 4.31Å; V43-K48 HydrophobicContact CG2-CB 4.12Å; V43-M51 HydrophobicContact CB-SD 4.33Å; V43-M51 HydrophobicContact CG1-CE 4.22Å; V43-M51 HydrophobicContact CG1-SD 3.9Å; V43-M51 HydrophobicContact CG2-SD 4.44Å
44	A	89.3	Confident	89.3	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	141.6	170.9	0	0	0	0	0	110	V29 E46 Q47 K48	V29-A44 HydrophobicContact CG1-CB 4.25Å; A44-E46 PolarHBondContact O-N 2.87Å; A44-Q47 HydrophobicContact CB-CG 4.15Å; A44-Q47 PolarHBondContact O-N 2.93Å; A44-K48 PolarHBondContact O-N 2.9Å
45	K	88.8	Confident	89.3	Confident	68 Å²	68	56.3 Å²	56.3	30%	0.296	29%	0.289	S	S	.	.	H	α-helix	trans	-53.7	-38.6	180	-81.3	-172	-177.6	177	0	112.8	E34 T36 Q47 K48 T174	E34-K45 HydrophobicContact CB-CD 3.75Å; E34-K45 HydrophobicContact CB-CG 4.17Å; E34-K45 PolarHBondContact O-N 3.08Å; E34-K45 WeakPolarHBondContact OE2-CD 3.42Å; E34-K45 WeakPolarHBondContact OE2-CE 3.42Å; E34-K45 IonicContact OE2-NZ 2.93Å; E34-K45 PolarHBondContact OE2-NZ 2.69Å; T36-K45 HydrophobicContact CG2-CG 4.1Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; K45-Q47 PolarHBondContact O-N 2.82Å; K45-K48 PolarHBondContact O-N 2.81Å; K45-T174 HydrophobicContact CB-CG2 4.03Å; K45-T174 HydrophobicContact CD-CG2 4.37Å; K45-T174 HydrophobicContact CG-CG2 3.89Å
46	E	88.3	Confident	89.2	Confident	149 Å²	149	54.5 Å²	54.5	70%	0.696	28%	0.275	S	S	*	.	H	α-helix	trans	-63.2	-33	179.8	-65.2	163.6	-166.7	0	0	112.6	A44	A44-E46 PolarHBondContact O-N 2.87Å
47	Q	89.9	Confident	89.1	Confident	101 Å²	101	59.3 Å²	59.3	47%	0.472	30%	0.296	S	S	.	.	H	α-helix	trans	-80.6	-27.5	-177.5	-67.1	174.2	-28.5	0	0	113	A44 K45 A49 D50 M51	A44-Q47 HydrophobicContact CB-CG 4.15Å; A44-Q47 PolarHBondContact O-N 2.93Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; K45-Q47 PolarHBondContact O-N 2.82Å; Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3.39Å; Q47-D50 PolarHBondContact O-N 2.97Å; Q47-M51 HydrophobicContact CB-SD 4.44Å; Q47-M51 WeakPolarHBondContact O-CG 3.49Å; Q47-M51 PolarHBondContact O-N 2.93Å
48	K	90.5	Very high	88.9	Confident	7 Å²	7	57.9 Å²	57.9	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-40.8	-171.8	174.1	168.4	169	171.7	0	112.6	T36 H37 V43 A44 K45 D50 M51 V52 N172 V173 T174	T36-K48 HydrophobicContact CG2-CB 3.79Å; T36-K48 HydrophobicContact CG2-CD 3.41Å; T36-K48 VanDerWaalsContact CG2-CD 3.41Å; T36-K48 HydrophobicContact CG2-CG 4.24Å; T36-K48 PolarHBondContact OG1-NZ 3.04Å; H37-K48 WeakPolarHBondContact O-CD 3.31Å; H37-K48 WeakPolarHBondContact O-CE 3.39Å; H37-K48 PolarHBondContact O-NZ 3.47Å; V43-K48 HydrophobicContact CG2-CB 4.12Å; A44-K48 PolarHBondContact O-N 2.9Å; K45-K48 PolarHBondContact O-N 2.81Å; K48-D50 VanDerWaalsContact C-N 3.33Å; K48-D50 PolarHBondContact O-N 3.41Å; K48-M51 PolarHBondContact O-N 3.49Å; K48-V52 HydrophobicContact CG-CG2 4.17Å; K48-V52 WeakPolarHBondContact O-CB 3.4Å; K48-V52 VanDerWaalsContact O-CG2 3.26Å; K48-V52 WeakPolarHBondContact O-CG2 3.4Å; K48-V52 PolarHBondContact O-N 2.9Å; K48-N172 WeakPolarHBondContact CE-O 3.5Å; K48-V173 PolarHBondContact NZ-O 2.84Å; K48-T174 HydrophobicContact CD-CG2 4.16Å; K48-T174 VanDerWaalsContact CD-OG1 3.3Å; K48-T174 WeakPolarHBondContact CD-OG1 3.2Å; K48-T174 WeakPolarHBondContact CG-OG1 3.38Å
49	A	88.4	Confident	88.7	Confident	36 Å²	36	57.4 Å²	57.4	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-44.2	-179	0	0	0	0	0	111.4	Q47 V52 A53	Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3.39Å; A49-V52 PolarHBondContact O-N 2.93Å; A49-A53 WeakPolarHBondContact O-CB 3Å; A49-A53 PolarHBondContact O-N 2.88Å
50	D	90.1	Very high	88.3	Confident	108 Å²	108	57.6 Å²	57.6	58%	0.578	30%	0.296	S	S	*	.	H	α-helix	trans	-67.7	-43.3	178.6	-66.4	-20.2	0	0	0	111.7	Q47 K48 V52 A53 H54	Q47-D50 PolarHBondContact O-N 2.97Å; K48-D50 VanDerWaalsContact C-N 3.33Å; K48-D50 PolarHBondContact O-N 3.41Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.23Å; D50-A53 WeakPolarHBondContact O-CB 3.39Å; D50-A53 PolarHBondContact O-N 3.24Å; D50-H54 PolarHBondContact O-CD2 2.87Å; D50-H54 PolarHBondContact O-N 2.84Å
51	M	90.3	Very high	88.1	Confident	55 Å²	55	56.8 Å²	56.8	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-42.7	176.8	-65.6	176	77.4	0	0	111.8	F38 V43 Q47 K48 H54 V55	F38-M51 HydrophobicContact CB-CE 4.29Å; F38-M51 HydrophobicContact CB-SD 4.46Å; F38-M51 HydrophobicContact CD1-CE 3.47Å; F38-M51 VanDerWaalsContact CD1-CE 3.47Å; F38-M51 HydrophobicContact CD2-CB 3.71Å; F38-M51 HydrophobicContact CD2-CE 4.17Å; F38-M51 HydrophobicContact CD2-SD 4.35Å; F38-M51 HydrophobicContact CE1-CE 3.74Å; F38-M51 HydrophobicContact CE2-CB 3.5Å; F38-M51 HydrophobicContact CE2-CE 4.41Å; F38-M51 HydrophobicContact CG-CB 4.42Å; F38-M51 HydrophobicContact CG-CE 3.71Å; F38-M51 HydrophobicContact CG-SD 4.2Å; F38-M51 HydrophobicContact CZ-CB 4.05Å; F38-M51 HydrophobicContact CZ-CE 4.2Å; V43-M51 HydrophobicContact CB-SD 4.33Å; V43-M51 HydrophobicContact CG1-CE 4.22Å; V43-M51 HydrophobicContact CG1-SD 3.9Å; V43-M51 HydrophobicContact CG2-SD 4.44Å; Q47-M51 HydrophobicContact CB-SD 4.44Å; Q47-M51 WeakPolarHBondContact O-CG 3.49Å; Q47-M51 PolarHBondContact O-N 2.93Å; K48-M51 PolarHBondContact O-N 3.49Å; M51-H54 PolarHBondContact O-N 3.03Å; M51-V55 PolarHBondContact O-N 3.06Å; M51-V55 VanDerWaalsContact O-N 3.15Å
52	V	87.5	Confident	87.7	Confident	10 Å²	10	56.5 Å²	56.5	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-42.7	174.6	168.5	0	0	0	0	110.8	F38 K48 A49 D50 H54 V55 F56 N172 Y234	F38-V52 HydrophobicContact CD2-CG2 4.2Å; F38-V52 HydrophobicContact CE2-CG2 4.1Å; K48-V52 HydrophobicContact CG-CG2 4.17Å; K48-V52 WeakPolarHBondContact O-CB 3.4Å; K48-V52 VanDerWaalsContact O-CG2 3.26Å; K48-V52 WeakPolarHBondContact O-CG2 3.4Å; K48-V52 PolarHBondContact O-N 2.9Å; A49-V52 PolarHBondContact O-N 2.93Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.23Å; V52-H54 VanDerWaalsContact C-N 3.29Å; V52-H54 PolarHBondContact O-N 2.85Å; V52-V55 PolarHBondContact O-N 3.18Å; V52-F56 HydrophobicContact CG1-CD2 3.67Å; V52-F56 HydrophobicContact CG1-CE2 3.73Å; V52-F56 VanDerWaalsContact O-CD2 3.31Å; V52-F56 WeakPolarHBondContact O-CD2 3.42Å; V52-F56 PolarHBondContact O-N 2.93Å; V52-N172 HydrophobicContact CG1-CB 3.74Å; V52-N172 HydrophobicContact CG2-CB 4.33Å; V52-Y234 WeakPolarHBondContact CG2-OH 3.48Å
53	A	89.6	Confident	87.4	Confident	31 Å²	31	55.8 Å²	55.8	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-41.3	177	0	0	0	0	0	111.6	A49 D50 F56 H57 N124	A49-A53 WeakPolarHBondContact O-CB 3Å; A49-A53 PolarHBondContact O-N 2.88Å; D50-A53 WeakPolarHBondContact O-CB 3.39Å; D50-A53 PolarHBondContact O-N 3.24Å; A53-F56 PolarHBondContact O-N 2.95Å; A53-H57 VanDerWaalsContact O-CB 3.25Å; A53-H57 WeakPolarHBondContact O-CB 3.28Å; A53-H57 PolarHBondContact O-N 3.31Å; A53-N124 PolarHBondContact O-ND2 3.4Å
54	H	89.2	Confident	87.2	Confident	138 Å²	138	57.6 Å²	57.6	64%	0.639	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-44.8	175	-80.9	-65.6	0	0	0	113	D50 M51 V52 F56 H57 S58	D50-H54 PolarHBondContact O-CD2 2.87Å; D50-H54 PolarHBondContact O-N 2.84Å; M51-H54 PolarHBondContact O-N 3.03Å; V52-H54 VanDerWaalsContact C-N 3.29Å; V52-H54 PolarHBondContact O-N 2.85Å; H54-F56 PolarHBondContact O-N 3.25Å; H54-H57 PolarHBondContact O-N 2.96Å; H54-S58 PolarHBondContact O-N 3.48Å
55	V	86.9	Confident	87	Confident	19 Å²	19	62 Å²	62	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-57.9	-48.5	175.3	167.5	0	0	0	0	110.9	F38 M51 V52 H57 S58 V59 Y234	F38-V55 HydrophobicContact CE2-CG2 4.29Å; F38-V55 HydrophobicContact CZ-CG2 3.8Å; M51-V55 PolarHBondContact O-N 3.06Å; M51-V55 VanDerWaalsContact O-N 3.15Å; V52-V55 PolarHBondContact O-N 3.18Å; V55-H57 VanDerWaalsContact C-N 3.34Å; V55-H57 PolarHBondContact O-N 3.27Å; V55-S58 PolarHBondContact O-N 3.4Å; V55-S58 PolarHBondContact O-OG 2.86Å; V55-V59 WeakPolarHBondContact O-CG2 3.36Å; V55-V59 PolarHBondContact O-N 2.83Å; V55-Y234 HydrophobicContact CG1-CD1 3.93Å; V55-Y234 HydrophobicContact CG1-CE1 4.4Å; V55-Y234 HydrophobicContact CG2-CD1 4.22Å; V55-Y234 HydrophobicContact CG2-CG 4.42Å
56	F	86.7	Confident	87	Confident	33 Å²	33	58.9 Å²	58.9	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-70.9	-31.4	-179.1	-78.4	-70.8	0	0	0	112.9	V52 A53 H54 V59 A60 Y63 M127 N172	V52-F56 HydrophobicContact CG1-CD2 3.67Å; V52-F56 HydrophobicContact CG1-CE2 3.73Å; V52-F56 VanDerWaalsContact O-CD2 3.31Å; V52-F56 WeakPolarHBondContact O-CD2 3.42Å; V52-F56 PolarHBondContact O-N 2.93Å; A53-F56 PolarHBondContact O-N 2.95Å; H54-F56 PolarHBondContact O-N 3.25Å; F56-V59 HydrophobicContact CD1-CG2 4.32Å; F56-A60 WeakPolarHBondContact O-CB 3.32Å; F56-A60 PolarHBondContact O-N 2.86Å; F56-Y63 HydrophobicContact CD1-CE2 4.45Å; F56-Y63 HydrophobicContact CE1-CE2 4.08Å; F56-M127 HydrophobicContact CB-CG 4.15Å; F56-M127 HydrophobicContact CD1-CE 3.72Å; F56-M127 HydrophobicContact CD1-SD 4.49Å; F56-M127 HydrophobicContact CE1-CE 4.33Å; F56-N172 HydrophobicContact CE2-CB 4.13Å; F56-N172 WeakPolarHBondContact CZ-ND2 3.46Å
57	H	87.2	Confident	86.9	Confident	120 Å²	120	53 Å²	53	56%	0.556	29%	0.288	S	S	*	.	H	α-helix	trans	-62.3	-43.9	173.6	-174.4	72.5	0	0	0	112.1	A53 H54 V55 V59 N124 S126	A53-H57 VanDerWaalsContact O-CB 3.25Å; A53-H57 WeakPolarHBondContact O-CB 3.28Å; A53-H57 PolarHBondContact O-N 3.31Å; H54-H57 PolarHBondContact O-N 2.96Å; V55-H57 VanDerWaalsContact C-N 3.34Å; V55-H57 PolarHBondContact O-N 3.27Å; H57-V59 PolarHBondContact O-N 3.06Å; H57-N124 PolarHBondContact N-ND2 3.24Å; H57-S126 WeakPolarHBondContact ND1-CB 3.47Å; H57-S126 PolarHBondContact ND1-OG 3.47Å
58	S	84.5	Confident	86.8	Confident	56 Å²	56	50.6 Å²	50.6	39%	0.392	28%	0.279	S	S	.	.	H	α-helix	trans	-68.2	-34.8	-178.9	68.5	0	0	0	0	112.8	H54 V55 D228 S231	H54-S58 PolarHBondContact O-N 3.48Å; V55-S58 PolarHBondContact O-N 3.4Å; V55-S58 PolarHBondContact O-OG 2.86Å; S58-D228 WeakPolarHBondContact CB-OD2 3.43Å; S58-D228 PolarHBondContact OG-OD2 3.48Å; S58-S231 PolarHBondContact OG-OG 3.26Å
59	V	84.3	Confident	86.6	Confident	13 Å²	13	53.5 Å²	53.5	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-93.4	-11.7	-176.8	-54.5	0	0	0	0	114.6	V55 F56 H57 S61 K62 Y63 Y232	V55-V59 WeakPolarHBondContact O-CG2 3.36Å; V55-V59 PolarHBondContact O-N 2.83Å; F56-V59 HydrophobicContact CD1-CG2 4.32Å; H57-V59 PolarHBondContact O-N 3.06Å; V59-S61 VanDerWaalsContact C-N 3.3Å; V59-S61 PolarHBondContact O-N 3.45Å; V59-S61 VanDerWaalsContact O-N 3.14Å; V59-K62 CarbonylContact O-C 3.55Å; V59-K62 PolarHBondContact O-N 2.92Å; V59-Y63 HydrophobicContact CG2-CD2 4.1Å; V59-Y63 PolarHBondContact O-N 2.88Å; V59-Y232 HydrophobicContact CG1-CE2 4.36Å
60	A	82.5	Confident	86.4	Confident	7 Å²	7	53.2 Å²	53.2	6%	0.058	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-50.4	-44.3	-171.7	0	0	0	0	0	114	F56 K62 Y63 M127 M130	F56-A60 WeakPolarHBondContact O-CB 3.32Å; F56-A60 PolarHBondContact O-N 2.86Å; A60-K62 VanDerWaalsContact C-N 3.31Å; A60-K62 PolarHBondContact O-N 3.11Å; A60-Y63 PolarHBondContact O-N 3.4Å; A60-M127 HydrophobicContact CB-CG 4.47Å; A60-M127 HydrophobicContact CB-SD 3.63Å; A60-M130 HydrophobicContact CB-CG 4.43Å
61	S	85	Confident	86.2	Confident	89 Å²	89	48.9 Å²	48.9	62%	0.622	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-68.7	-25.6	-177.3	62.1	0	0	0	0	114.2	V59	V59-S61 VanDerWaalsContact C-N 3.3Å; V59-S61 PolarHBondContact O-N 3.45Å; V59-S61 VanDerWaalsContact O-N 3.14Å
62	K	83.6	Confident	86	Confident	81 Å²	81	53.8 Å²	53.8	35%	0.352	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-111.8	3.5	-177.7	-64.1	179.7	-178	177.5	0	112.7	V59 A60 D64 V65 M66 V225 A226	V59-K62 CarbonylContact O-C 3.55Å; V59-K62 PolarHBondContact O-N 2.92Å; A60-K62 VanDerWaalsContact C-N 3.31Å; A60-K62 PolarHBondContact O-N 3.11Å; K62-D64 PolarHBondContact O-N 3.31Å; K62-V65 PolarHBondContact O-N 2.87Å; K62-M66 HydrophobicContact CB-CG 4.07Å; K62-M66 WeakPolarHBondContact O-CB 3.47Å; K62-M66 VanDerWaalsContact O-CG 3.24Å; K62-M66 WeakPolarHBondContact O-CG 3.46Å; K62-M66 PolarHBondContact O-N 3.01Å; K62-V225 PolarHBondContact NZ-O 3.29Å; K62-A226 HydrophobicContact CD-CB 4.38Å; K62-A226 PolarHBondContact NZ-O 3.09Å
63	Y	83.8	Confident	86.2	Confident	40 Å²	40	54.4 Å²	54.4	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-55	-49.7	-168.3	-173.2	-99.3	0	0	0	112.7	F56 V59 A60 M66 N67 T101 M127	F56-Y63 HydrophobicContact CD1-CE2 4.45Å; F56-Y63 HydrophobicContact CE1-CE2 4.08Å; V59-Y63 HydrophobicContact CG2-CD2 4.1Å; V59-Y63 PolarHBondContact O-N 2.88Å; A60-Y63 PolarHBondContact O-N 3.4Å; Y63-M66 PolarHBondContact O-N 3.17Å; Y63-N67 VanDerWaalsContact CD1-ND2 3.26Å; Y63-N67 WeakPolarHBondContact CD1-ND2 3.4Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.44Å; Y63-N67 VanDerWaalsContact CZ-ND2 3.35Å; Y63-N67 PolarHBondContact O-N 2.96Å; Y63-N67 PolarHBondContact O-ND2 3.41Å; Y63-T101 HydrophobicContact CD1-CG2 4.26Å; Y63-M127 HydrophobicContact CD1-CE 4.33Å; Y63-M127 HydrophobicContact CD2-CE 3.92Å; Y63-M127 HydrophobicContact CE1-CE 4.38Å; Y63-M127 HydrophobicContact CE2-CE 4.01Å; Y63-M127 HydrophobicContact CG-CE 4.1Å
64	D	84.9	Confident	86.4	Confident	47 Å²	47	56 Å²	56	25%	0.251	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-45.4	-178.4	-66.1	-8.7	0	0	0	112	K62 M66 N67 D68 T101 K134	K62-D64 PolarHBondContact O-N 3.31Å; D64-M66 VanDerWaalsContact C-N 3.28Å; D64-M66 PolarHBondContact O-N 2.62Å; D64-N67 PolarHBondContact O-N 3Å; D64-D68 PolarHBondContact O-N 3.47Å; D64-T101 PolarHBondContact OD1-OG1 2.97Å; D64-K134 IonicContact OD1-NZ 3.17Å; D64-K134 IonicContact OD2-NZ 3.09Å; D64-K134 PolarHBondContact OD2-NZ 3.09Å
65	V	85.9	Confident	86.5	Confident	94 Å²	94	49.8 Å²	49.8	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-60.5	-42.3	178	175.2	0	0	0	0	110.6	K62 D68 L69	K62-V65 PolarHBondContact O-N 2.87Å; V65-D68 PolarHBondContact O-N 3.04Å; V65-L69 WeakPolarHBondContact O-CB 3.36Å; V65-L69 PolarHBondContact O-N 3.06Å
66	M	87.3	Confident	86.8	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-71.5	-35.7	-179	-70.7	-61.7	-49.7	0	0	111.9	K62 Y63 D64 L69 M70 I221 V225 A226 Y232	K62-M66 HydrophobicContact CB-CG 4.07Å; K62-M66 WeakPolarHBondContact O-CB 3.47Å; K62-M66 VanDerWaalsContact O-CG 3.24Å; K62-M66 WeakPolarHBondContact O-CG 3.46Å; K62-M66 PolarHBondContact O-N 3.01Å; Y63-M66 PolarHBondContact O-N 3.17Å; D64-M66 VanDerWaalsContact C-N 3.28Å; D64-M66 PolarHBondContact O-N 2.62Å; M66-L69 HydrophobicContact CE-CD2 4.32Å; M66-L69 PolarHBondContact O-N 3.48Å; M66-L69 HydrophobicContact SD-CD2 4.21Å; M66-M70 HydrophobicContact CB-CE 4.35Å; M66-M70 HydrophobicContact CE-CG 4.43Å; M66-M70 VanDerWaalsContact O-CB 3.32Å; M66-M70 WeakPolarHBondContact O-CB 3.47Å; M66-M70 WeakPolarHBondContact O-CE 3.37Å; M66-M70 WeakPolarHBondContact O-CG 3.17Å; M66-M70 PolarHBondContact O-N 3.44Å; M66-I221 HydrophobicContact CE-CG2 3.55Å; M66-V225 HydrophobicContact SD-CB 3.91Å; M66-V225 HydrophobicContact SD-CG1 3.6Å; M66-V225 VanDerWaalsContact SD-CG1 3.6Å; M66-A226 HydrophobicContact SD-CB 4.36Å; M66-Y232 HydrophobicContact CB-CE1 4.42Å; M66-Y232 VanDerWaalsContact CB-OH 3.24Å; M66-Y232 WeakPolarHBondContact CB-OH 3.2Å; M66-Y232 HydrophobicContact CE-CD1 4.38Å; M66-Y232 HydrophobicContact CE-CE1 3.44Å; M66-Y232 VanDerWaalsContact CE-CE1 3.44Å; M66-Y232 HydrophobicContact CE-CE2 4.3Å; M66-Y232 VanDerWaalsContact CE-OH 3.25Å; M66-Y232 WeakPolarHBondContact CE-OH 3.32Å; M66-Y232 WeakPolarHBondContact CG-OH 3.21Å
67	N	87.4	Confident	87.2	Confident	27 Å²	27	59.8 Å²	59.8	14%	0.144	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-42.8	171	-75.3	-31.9	0	0	0	112.1	Y63 D64 L69 S71 H75	Y63-N67 VanDerWaalsContact CD1-ND2 3.26Å; Y63-N67 WeakPolarHBondContact CD1-ND2 3.4Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.44Å; Y63-N67 VanDerWaalsContact CZ-ND2 3.35Å; Y63-N67 PolarHBondContact O-N 2.96Å; Y63-N67 PolarHBondContact O-ND2 3.41Å; D64-N67 PolarHBondContact O-N 3Å; N67-L69 VanDerWaalsContact C-N 3.34Å; N67-S71 VanDerWaalsContact O-CB 3.29Å; N67-S71 WeakPolarHBondContact O-CB 3.38Å; N67-S71 PolarHBondContact O-N 2.62Å; N67-S71 PolarHBondContact O-OG 2.83Å; N67-H75 PolarHBondContact O-ND1 3.14Å
68	D	87.5	Confident	87.7	Confident	50 Å²	50	55 Å²	55	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-45.2	174.9	-86.2	-35.9	0	0	0	111.1	D64 V65 F72 G73 H75 R76	D64-D68 PolarHBondContact O-N 3.47Å; V65-D68 PolarHBondContact O-N 3.04Å; D68-F72 CarbonylContact O-C 3.55Å; D68-F72 WeakPolarHBondContact O-CA 3.33Å; D68-F72 PolarHBondContact O-N 3.42Å; D68-G73 PolarHBondContact O-N 2.86Å; D68-H75 PolarHBondContact N-CE1 2.88Å; D68-H75 IonicContact OD1-CE1 3.09Å; D68-H75 PolarHBondContact OD1-CE1 2.91Å; D68-H75 IonicContact OD1-ND1 3.96Å; D68-H75 IonicContact OD1-NE2 3.99Å; D68-R76 VanDerWaalsContact CG-NH2 3.26Å; D68-R76 IonicContact OD1-CZ 3.23Å; D68-R76 VanDerWaalsContact OD1-CZ 3.29Å; D68-R76 IonicContact OD1-NE 2.93Å; D68-R76 PolarHBondContact OD1-NE 3.26Å; D68-R76 IonicContact OD1-NH2 2.91Å; D68-R76 PolarHBondContact OD1-NH2 3.26Å; D68-R76 IonicContact OD2-CZ 3.29Å; D68-R76 IonicContact OD2-NH2 3.03Å; D68-R76 PolarHBondContact OD2-NH2 3.43Å
69	L	86.4	Confident	88.3	Confident	68 Å²	68	53 Å²	53	36%	0.356	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-50.7	-179.5	-178.3	61.7	0	0	0	112.4	V65 M66 N67 F72 I221 V225	V65-L69 WeakPolarHBondContact O-CB 3.36Å; V65-L69 PolarHBondContact O-N 3.06Å; M66-L69 HydrophobicContact CE-CD2 4.32Å; M66-L69 PolarHBondContact O-N 3.48Å; M66-L69 HydrophobicContact SD-CD2 4.21Å; N67-L69 VanDerWaalsContact C-N 3.34Å; L69-F72 PolarHBondContact O-N 3.02Å; L69-I221 HydrophobicContact CD2-CG2 3.51Å; L69-I221 HydrophobicContact CG-CG2 4.26Å; L69-V225 HydrophobicContact CD2-CB 4.41Å; L69-V225 HydrophobicContact CD2-CG1 4.24Å; L69-V225 HydrophobicContact CD2-CG2 3.95Å
70	M	84.4	Confident	88.8	Confident	29 Å²	29	58.9 Å²	58.9	14%	0.143	29%	0.293	C	S	.	.	H	α-helix	trans	-69.9	-38.2	-175.9	-68.6	-175.9	-64.3	0	0	112.5	M66 F72 Y213 L218 Y232 L235	M66-M70 HydrophobicContact CB-CE 4.35Å; M66-M70 HydrophobicContact CE-CG 4.43Å; M66-M70 VanDerWaalsContact O-CB 3.32Å; M66-M70 WeakPolarHBondContact O-CB 3.47Å; M66-M70 WeakPolarHBondContact O-CE 3.37Å; M66-M70 WeakPolarHBondContact O-CG 3.17Å; M66-M70 PolarHBondContact O-N 3.44Å; M70-F72 VanDerWaalsContact C-N 3.34Å; M70-Y213 PolarHBondContact O-OH 3.12Å; M70-Y213 VanDerWaalsContact O-OH 3.12Å; M70-L218 HydrophobicContact CB-CD2 4.11Å; M70-L218 HydrophobicContact CG-CD2 3.61Å; M70-L218 HydrophobicContact SD-CD2 3.53Å; M70-L218 VanDerWaalsContact SD-CD2 3.53Å; M70-Y232 HydrophobicContact CE-CD1 4.46Å; M70-Y232 HydrophobicContact CE-CE1 3.85Å; M70-Y232 HydrophobicContact SD-CD1 3.57Å; M70-Y232 VanDerWaalsContact SD-CD1 3.57Å; M70-Y232 HydrophobicContact SD-CE1 3.42Å; M70-Y232 WeakPolarHBondContact SD-CE1 3.47Å; M70-L235 HydrophobicContact CE-CD2 4.11Å; M70-L235 HydrophobicContact SD-CD2 3.99Å
71	S	84.6	Confident	89.6	Confident	17 Å²	17	61.9 Å²	61.9	12%	0.119	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.8	-179.4	86.8	0	0	0	0	112.9	N67 G73 I74 H75	N67-S71 VanDerWaalsContact O-CB 3.29Å; N67-S71 WeakPolarHBondContact O-CB 3.38Å; N67-S71 PolarHBondContact O-N 2.62Å; N67-S71 PolarHBondContact O-OG 2.83Å; S71-G73 PolarHBondContact O-N 3.27Å; S71-G73 VanDerWaalsContact O-N 3.17Å; S71-G73 PolarHBondContact OG-N 3.15Å; S71-I74 VanDerWaalsContact O-CB 3.25Å; S71-I74 WeakPolarHBondContact O-CB 3.2Å; S71-I74 VanDerWaalsContact O-CG1 3.28Å; S71-I74 WeakPolarHBondContact O-CG1 3.3Å; S71-I74 PolarHBondContact O-N 2.88Å; S71-I74 PolarHBondContact OG-N 2.86Å; S71-H75 PolarHBondContact OG-N 2.77Å; S71-H75 VanDerWaalsContact OG-N 3.09Å; S71-H75 PolarHBondContact OG-ND1 3.17Å
72	F	87.6	Confident	90.2	Very high	159 Å²	159	57.7 Å²	57.7	70%	0.697	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	40.9	-166.7	-58.3	-86.1	0	0	0	112.3	D68 L69 M70 I74	D68-F72 CarbonylContact O-C 3.55Å; D68-F72 WeakPolarHBondContact O-CA 3.33Å; D68-F72 PolarHBondContact O-N 3.42Å; L69-F72 PolarHBondContact O-N 3.02Å; M70-F72 VanDerWaalsContact C-N 3.34Å; F72-I74 PolarHBondContact O-N 3.37Å
73	G	90.6	Very high	90.9	Very high	22 Å²	22	54.3 Å²	54.3	23%	0.227	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	-6.5	-177.2	0	0	0	0	0	116.9	D68 S71 H75 R76	D68-G73 PolarHBondContact O-N 2.86Å; S71-G73 PolarHBondContact O-N 3.27Å; S71-G73 VanDerWaalsContact O-N 3.17Å; S71-G73 PolarHBondContact OG-N 3.15Å; G73-H75 PolarHBondContact O-N 2.91Å; G73-H75 VanDerWaalsContact O-N 3.15Å; G73-R76 WeakPolarHBondContact O-CB 3.43Å; G73-R76 WeakPolarHBondContact O-CG 3.44Å; G73-R76 PolarHBondContact O-N 3.42Å; G73-R76 VanDerWaalsContact O-N 3.11Å
74	I	93.5	Very high	91.5	Very high	64 Å²	64	56.7 Å²	56.7	33%	0.328	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.5	-179.6	-62.2	172.5	0	0	0	112.2	S71 F72 R76 L77 W78	S71-I74 VanDerWaalsContact O-CB 3.25Å; S71-I74 WeakPolarHBondContact O-CB 3.2Å; S71-I74 VanDerWaalsContact O-CG1 3.28Å; S71-I74 WeakPolarHBondContact O-CG1 3.3Å; S71-I74 PolarHBondContact O-N 2.88Å; S71-I74 PolarHBondContact OG-N 2.86Å; F72-I74 PolarHBondContact O-N 3.37Å; I74-R76 PolarHBondContact O-N 3.45Å; I74-L77 WeakPolarHBondContact O-CA 3.42Å; I74-L77 VanDerWaalsContact O-CB 3.31Å; I74-L77 WeakPolarHBondContact O-CB 3.29Å; I74-L77 PolarHBondContact O-N 3.1Å; I74-W78 HydrophobicContact CB-CZ2 4.46Å; I74-W78 HydrophobicContact CG2-CD2 4.3Å; I74-W78 HydrophobicContact CG2-CZ2 3.73Å; I74-W78 PolarHBondContact O-N 3.24Å
75	H	92.3	Very high	92.1	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-57.3	-26.1	177.9	75.2	-96.6	0	0	0	113.5	N67 D68 S71 G73 L77 W78 K79	N67-H75 PolarHBondContact O-ND1 3.14Å; D68-H75 PolarHBondContact N-CE1 2.88Å; D68-H75 IonicContact OD1-CE1 3.09Å; D68-H75 PolarHBondContact OD1-CE1 2.91Å; D68-H75 IonicContact OD1-ND1 3.96Å; D68-H75 IonicContact OD1-NE2 3.99Å; S71-H75 PolarHBondContact OG-N 2.77Å; S71-H75 VanDerWaalsContact OG-N 3.09Å; S71-H75 PolarHBondContact OG-ND1 3.17Å; G73-H75 PolarHBondContact O-N 2.91Å; G73-H75 VanDerWaalsContact O-N 3.15Å; H75-L77 VanDerWaalsContact C-N 3.3Å; H75-L77 PolarHBondContact O-N 3.33Å; H75-W78 VanDerWaalsContact CA-CE3 3.42Å; H75-W78 HydrophobicContact CB-CE3 3.77Å; H75-W78 HydrophobicContact CB-CZ3 4.06Å; H75-W78 PolarHBondContact O-N 3.06Å; H75-K79 WeakPolarHBondContact O-CB 3.3Å; H75-K79 WeakPolarHBondContact O-CG 3.35Å; H75-K79 PolarHBondContact O-N 2.81Å
76	R	93.3	Very high	92.7	Very high	141 Å²	141	50.9 Å²	50.9	53%	0.532	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-34.5	175.8	-60.1	177.1	-178.3	-165.8	-4	111.6	D68 G73 I74 R80	D68-R76 VanDerWaalsContact CG-NH2 3.26Å; D68-R76 IonicContact OD1-CZ 3.23Å; D68-R76 VanDerWaalsContact OD1-CZ 3.29Å; D68-R76 IonicContact OD1-NE 2.93Å; D68-R76 PolarHBondContact OD1-NE 3.26Å; D68-R76 IonicContact OD1-NH2 2.91Å; D68-R76 PolarHBondContact OD1-NH2 3.26Å; D68-R76 IonicContact OD2-CZ 3.29Å; D68-R76 IonicContact OD2-NH2 3.03Å; D68-R76 PolarHBondContact OD2-NH2 3.43Å; G73-R76 WeakPolarHBondContact O-CB 3.43Å; G73-R76 WeakPolarHBondContact O-CG 3.44Å; G73-R76 PolarHBondContact O-N 3.42Å; G73-R76 VanDerWaalsContact O-N 3.11Å; I74-R76 PolarHBondContact O-N 3.45Å; R76-R80 VanDerWaalsContact O-CB 3.32Å; R76-R80 WeakPolarHBondContact O-CB 3.29Å; R76-R80 PolarHBondContact O-N 2.85Å
77	L	95.5	Very high	93.2	Very high	121 Å²	121	52.6 Å²	52.6	63%	0.634	26%	0.262	S	S	*	.	H	α-helix	trans	-70.1	-43.9	174.2	-59.5	177.3	0	0	0	110.7	I74 H75 K79 R80 F81	I74-L77 WeakPolarHBondContact O-CA 3.42Å; I74-L77 VanDerWaalsContact O-CB 3.31Å; I74-L77 WeakPolarHBondContact O-CB 3.29Å; I74-L77 PolarHBondContact O-N 3.1Å; H75-L77 VanDerWaalsContact C-N 3.3Å; H75-L77 PolarHBondContact O-N 3.33Å; L77-K79 PolarHBondContact O-N 2.85Å; L77-R80 PolarHBondContact O-N 2.63Å; L77-R80 VanDerWaalsContact O-N 3.17Å; L77-F81 WeakPolarHBondContact O-CB 3.24Å; L77-F81 PolarHBondContact O-N 3.37Å
78	W	97.3	Very high	93.7	Very high	20 Å²	20	52.1 Å²	52.1	8%	0.076	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-45.9	175.3	-56.7	-28.7	0	0	0	112.1	I74 H75 R80 F81 T82 F168 L196 F198 L265 T266 V270	I74-W78 HydrophobicContact CB-CZ2 4.46Å; I74-W78 HydrophobicContact CG2-CD2 4.3Å; I74-W78 HydrophobicContact CG2-CZ2 3.73Å; I74-W78 PolarHBondContact O-N 3.24Å; H75-W78 VanDerWaalsContact CA-CE3 3.42Å; H75-W78 HydrophobicContact CB-CE3 3.77Å; H75-W78 HydrophobicContact CB-CZ3 4.06Å; H75-W78 PolarHBondContact O-N 3.06Å; W78-R80 VanDerWaalsContact C-N 3.33Å; W78-R80 PolarHBondContact O-N 2.92Å; W78-F81 PolarHBondContact O-N 3.45Å; W78-T82 PolarHBondContact O-N 3.32Å; W78-T82 PolarHBondContact O-OG1 3.43Å; W78-F168 AromaticContact CE3-CZ 3.75Å; W78-F168 HydrophobicContact CE3-CZ 3.75Å; W78-F168 HydrophobicContact CZ3-CZ 4.16Å; W78-L196 HydrophobicContact CB-CD1 4.34Å; W78-L196 HydrophobicContact CB-CD2 4.11Å; W78-F198 HydrophobicContact CH2-CE1 4.49Å; W78-F198 HydrophobicContact CZ3-CE1 4.34Å; W78-L265 HydrophobicContact CB-CD1 3.92Å; W78-L265 HydrophobicContact CG-CB 4.43Å; W78-L265 HydrophobicContact CG-CD1 4Å; W78-T266 HydrophobicContact CZ2-CG2 4.5Å; W78-T266 WeakPolarHBondContact CZ2-OG1 3.42Å; W78-T266 PolarHBondContact NE1-OG1 2.94Å; W78-V270 HydrophobicContact CD2-CB 4.16Å; W78-V270 HydrophobicContact CD2-CG1 4.28Å; W78-V270 HydrophobicContact CD2-CG2 3.95Å; W78-V270 HydrophobicContact CE3-CB 4.37Å; W78-V270 HydrophobicContact CE3-CG1 4.44Å; W78-V270 HydrophobicContact CE3-CG2 3.71Å; W78-V270 HydrophobicContact CG-CG1 4.44Å; W78-V270 HydrophobicContact CH2-CG2 3.58Å; W78-V270 HydrophobicContact CZ2-CB 4.35Å; W78-V270 HydrophobicContact CZ2-CG2 3.8Å; W78-V270 HydrophobicContact CZ3-CG2 3.53Å
79	K	95.9	Very high	94.2	Very high	14 Å²	14	58.8 Å²	58.8	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-38.2	175	-70.7	-179	-169.5	-176.5	0	111.5	H75 L77 T82 I83 D103 L104 L196	H75-K79 WeakPolarHBondContact O-CB 3.3Å; H75-K79 WeakPolarHBondContact O-CG 3.35Å; H75-K79 PolarHBondContact O-N 2.81Å; L77-K79 PolarHBondContact O-N 2.85Å; K79-T82 WeakPolarHBondContact O-CB 3.33Å; K79-T82 PolarHBondContact O-N 2.93Å; K79-I83 WeakPolarHBondContact O-CG1 3.4Å; K79-I83 PolarHBondContact O-N 3.18Å; K79-D103 HydrophobicContact CD-CB 4.03Å; K79-D103 IonicContact NZ-OD2 3.77Å; K79-D103 PolarHBondContact NZ-OD2 3.47Å; K79-L104 HydrophobicContact CB-CD2 3.85Å; K79-L104 HydrophobicContact CG-CD2 4.19Å; K79-L104 HydrophobicContact CG-CG 4.49Å; K79-L196 HydrophobicContact CG-CD2 4.39Å
80	R	96	Very high	94.7	Very high	136 Å²	136	64 Å²	64	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-47.5	175.9	177.6	60.1	-167.2	-148	8.2	111.5	R76 L77 W78 T82 I83 D84	R76-R80 VanDerWaalsContact O-CB 3.32Å; R76-R80 WeakPolarHBondContact O-CB 3.29Å; R76-R80 PolarHBondContact O-N 2.85Å; L77-R80 PolarHBondContact O-N 2.63Å; L77-R80 VanDerWaalsContact O-N 3.17Å; W78-R80 VanDerWaalsContact C-N 3.33Å; W78-R80 PolarHBondContact O-N 2.92Å; R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.42Å; R80-I83 WeakPolarHBondContact O-CB 3.35Å; R80-I83 PolarHBondContact O-N 3.04Å; R80-I83 VanDerWaalsContact O-N 3.09Å; R80-D84 IonicContact CZ-OD1 3.88Å; R80-D84 IonicContact CZ-OD2 3.61Å; R80-D84 IonicContact NE-OD1 3.72Å; R80-D84 PolarHBondContact NE-OD1 2.62Å; R80-D84 VanDerWaalsContact NE-OD1 3.09Å; R80-D84 IonicContact NE-OD2 2.68Å; R80-D84 PolarHBondContact NE-OD2 3Å; R80-D84 IonicContact NH2-OD1 2.63Å; R80-D84 PolarHBondContact NH2-OD1 3.3Å; R80-D84 VanDerWaalsContact NH2-OD1 3.08Å; R80-D84 IonicContact NH2-OD2 2.65Å; R80-D84 PolarHBondContact O-N 3.13Å
81	F	97.9	Very high	95.4	Very high	70 Å²	70	64.3 Å²	64.3	31%	0.307	31%	0.307	S	S	.	.	H	α-helix	trans	-57.9	-41.1	175.5	-174.9	-97.1	0	0	0	111.5	L77 W78 I83 D84 C85 Y263 L265 L272	L77-F81 WeakPolarHBondContact O-CB 3.24Å; L77-F81 PolarHBondContact O-N 3.37Å; W78-F81 PolarHBondContact O-N 3.45Å; F81-I83 PolarHBondContact O-N 3.47Å; F81-D84 PolarHBondContact O-N 3.48Å; F81-C85 WeakPolarHBondContact CE1-SG 3.32Å; F81-C85 WeakPolarHBondContact CZ-SG 3.49Å; F81-C85 WeakPolarHBondContact O-CB 3.49Å; F81-C85 PolarHBondContact O-N 2.94Å; F81-C85 PolarHBondContact O-SG 3.05Å; F81-Y263 HydrophobicContact CE1-CD1 4.35Å; F81-Y263 AromaticContact CE1-CD2 3.86Å; F81-Y263 HydrophobicContact CE1-CD2 3.86Å; F81-Y263 AromaticContact CE1-CG 3.69Å; F81-Y263 HydrophobicContact CE1-CG 3.69Å; F81-Y263 AromaticContact CZ-CD1 3.93Å; F81-Y263 HydrophobicContact CZ-CD1 3.93Å; F81-Y263 HydrophobicContact CZ-CD2 4.17Å; F81-Y263 HydrophobicContact CZ-CE1 4.5Å; F81-Y263 AromaticContact CZ-CG 3.74Å; F81-Y263 HydrophobicContact CZ-CG 3.74Å; F81-L265 HydrophobicContact CD1-CD1 4.13Å; F81-L265 HydrophobicContact CD1-CD2 3.71Å; F81-L265 HydrophobicContact CE1-CD2 3.86Å; F81-L265 HydrophobicContact CG-CD2 4.15Å; F81-L265 HydrophobicContact CZ-CD2 4.42Å; F81-L272 HydrophobicContact CD1-CD2 3.66Å; F81-L272 HydrophobicContact CE1-CD2 3.75Å
82	T	98.3	Very high	96	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-45.4	174	-57.4	0	0	0	0	112	W78 K79 R80 S86 L194 L196 L272	W78-T82 PolarHBondContact O-N 3.32Å; W78-T82 PolarHBondContact O-OG1 3.43Å; K79-T82 WeakPolarHBondContact O-CB 3.33Å; K79-T82 PolarHBondContact O-N 2.93Å; R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.42Å; T82-S86 VanDerWaalsContact O-CB 3.32Å; T82-S86 WeakPolarHBondContact O-CB 3.45Å; T82-S86 PolarHBondContact O-N 3.4Å; T82-L194 HydrophobicContact CG2-CB 4.45Å; T82-L194 HydrophobicContact CG2-CD2 4.29Å; T82-L196 WeakPolarHBondContact OG1-CD2 3.34Å; T82-L272 HydrophobicContact CG2-CD1 3.93Å
83	I	98	Very high	96.6	Very high	9 Å²	9	59.2 Å²	59.2	5%	0.046	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-44.7	175	-68.4	-67.1	0	0	0	111.2	K79 R80 F81 S86 L104 K107 F108 L111	K79-I83 WeakPolarHBondContact O-CG1 3.4Å; K79-I83 PolarHBondContact O-N 3.18Å; R80-I83 WeakPolarHBondContact O-CB 3.35Å; R80-I83 PolarHBondContact O-N 3.04Å; R80-I83 VanDerWaalsContact O-N 3.09Å; F81-I83 PolarHBondContact O-N 3.47Å; I83-S86 VanDerWaalsContact O-CB 3.26Å; I83-S86 WeakPolarHBondContact O-CB 3.38Å; I83-S86 PolarHBondContact O-N 3.01Å; I83-S86 PolarHBondContact O-OG 2.96Å; I83-L104 HydrophobicContact CD1-CD2 3.81Å; I83-L104 HydrophobicContact CG1-CD2 3.82Å; I83-K107 HydrophobicContact CD1-CB 3.82Å; I83-K107 HydrophobicContact CD1-CD 4.46Å; I83-K107 HydrophobicContact CG1-CB 4.11Å; I83-K107 HydrophobicContact CG1-CD 3.91Å; I83-F108 HydrophobicContact CD1-CD1 3.78Å; I83-F108 HydrophobicContact CD1-CD2 3.85Å; I83-F108 HydrophobicContact CD1-CE1 3.5Å; I83-F108 HydrophobicContact CD1-CE2 3.59Å; I83-F108 HydrophobicContact CD1-CG 3.94Å; I83-F108 HydrophobicContact CD1-CZ 3.42Å; I83-F108 VanDerWaalsContact CD1-CZ 3.42Å; I83-L111 HydrophobicContact CG2-CD1 3.41Å; I83-L111 VanDerWaalsContact CG2-CD1 3.41Å
84	D	97.2	Very high	97	Very high	91 Å²	91	58.1 Å²	58.1	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-67.7	-42.7	-178.3	-62.7	-34.7	0	0	0	111	R80 F81 S86 G87	R80-D84 IonicContact CZ-OD1 3.88Å; R80-D84 IonicContact CZ-OD2 3.61Å; R80-D84 IonicContact NE-OD1 3.72Å; R80-D84 PolarHBondContact NE-OD1 2.62Å; R80-D84 VanDerWaalsContact NE-OD1 3.09Å; R80-D84 IonicContact NE-OD2 2.68Å; R80-D84 PolarHBondContact NE-OD2 3Å; R80-D84 IonicContact NH2-OD1 2.63Å; R80-D84 PolarHBondContact NH2-OD1 3.3Å; R80-D84 VanDerWaalsContact NH2-OD1 3.08Å; R80-D84 IonicContact NH2-OD2 2.65Å; R80-D84 PolarHBondContact O-N 3.13Å; F81-D84 PolarHBondContact O-N 3.48Å; D84-S86 PolarHBondContact O-N 2.92Å; D84-G87 PolarHBondContact O-N 2.89Å
85	C	97.8	Very high	97.2	Very high	18 Å²	18	55.1 Å²	55.1	12%	0.122	26%	0.259	C	S	.	.	H	α-helix	trans	-68	-20.1	173.3	-72.2	0	0	0	0	113.7	F81 G87 L194 L272 R274	F81-C85 WeakPolarHBondContact CE1-SG 3.32Å; F81-C85 WeakPolarHBondContact CZ-SG 3.49Å; F81-C85 WeakPolarHBondContact O-CB 3.49Å; F81-C85 PolarHBondContact O-N 2.94Å; F81-C85 PolarHBondContact O-SG 3.05Å; C85-G87 PolarHBondContact O-N 2.88Å; C85-L194 HydrophobicContact CB-CD2 4.08Å; C85-L272 HydrophobicContact CB-CD2 3.73Å; C85-R274 PolarHBondContact O-NH1 3.06Å
86	S	97.9	Very high	97.5	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.007	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.2	-179.1	80.9	0	0	0	0	112.3	T82 I83 D84 V88 F108 R192	T82-S86 VanDerWaalsContact O-CB 3.32Å; T82-S86 WeakPolarHBondContact O-CB 3.45Å; T82-S86 PolarHBondContact O-N 3.4Å; I83-S86 VanDerWaalsContact O-CB 3.26Å; I83-S86 WeakPolarHBondContact O-CB 3.38Å; I83-S86 PolarHBondContact O-N 3.01Å; I83-S86 PolarHBondContact O-OG 2.96Å; D84-S86 PolarHBondContact O-N 2.92Å; S86-V88 PolarHBondContact O-N 2.9Å; S86-V88 PolarHBondContact OG-N 3.27Å; S86-F108 WeakPolarHBondContact OG-CE1 3.4Å; S86-R192 PolarHBondContact O-NE 3.41Å; S86-R192 PolarHBondContact O-NH2 3.09Å
87	G	96.8	Very high	97.8	Very high	38 Å²	38	48.1 Å²	48.1	39%	0.392	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	18	-177.9	0	0	0	0	0	115.7	D84 C85 R192	D84-G87 PolarHBondContact O-N 2.89Å; C85-G87 PolarHBondContact O-N 2.88Å; G87-R192 PolarHBondContact O-NH2 3.47Å
88	V	98.4	Very high	97.8	Very high	16 Å²	16	43.8 Å²	43.8	10%	0.097	21%	0.214	C	C	.	.			trans	-66	137.6	-176.9	167.7	0	0	0	0	110.8	S86 V94 F108 L111 V112 C163 R192	S86-V88 PolarHBondContact O-N 2.9Å; S86-V88 PolarHBondContact OG-N 3.27Å; V88-V94 HydrophobicContact CB-CG2 4.48Å; V88-V94 HydrophobicContact CG1-CG2 3.78Å; V88-V94 HydrophobicContact CG2-CG2 3.79Å; V88-F108 HydrophobicContact CB-CD1 4.08Å; V88-F108 HydrophobicContact CB-CE1 4Å; V88-F108 HydrophobicContact CG1-CD1 4.09Å; V88-F108 HydrophobicContact CG1-CE1 4.49Å; V88-F108 HydrophobicContact CG2-CD1 3.95Å; V88-F108 HydrophobicContact CG2-CE1 3.58Å; V88-L111 HydrophobicContact CG1-CB 4.4Å; V88-V112 HydrophobicContact CG1-CG1 3.42Å; V88-V112 VanDerWaalsContact CG1-CG1 3.42Å; V88-C163 HydrophobicContact CG2-CB 3.67Å; V88-R192 VanDerWaalsContact CA-NH2 3.29Å
89	R	97.6	Very high	97.7	Very high	190 Å²	190	43.5 Å²	43.5	72%	0.717	22%	0.217	S	C	*	.			trans	-123	164.8	-178.2	-62.6	-177.7	-179.7	168.4	-0.4	111.6	Q92	R89-Q92 HydrophobicContact CB-CG 4.39Å; R89-Q92 WeakPolarHBondContact O-CB 3.37Å; R89-Q92 WeakPolarHBondContact O-CG 3.39Å; R89-Q92 PolarHBondContact O-N 3.34Å
90	R	98.1	Very high	97.5	Very high	178 Å²	178	43 Å²	43	67%	0.672	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	140.9	173.6	-70	-176.7	70.5	110	-0.8	111.2	Q92 L111 V112	R90-Q92 VanDerWaalsContact C-N 3.26Å; R90-Q92 PolarHBondContact O-N 2.97Å; R90-L111 WeakPolarHBondContact CG-O 3.39Å; R90-V112 CarbonylContact C-O 3.59Å; R90-V112 VanDerWaalsContact CA-O 3.26Å; R90-V112 WeakPolarHBondContact CA-O 3.46Å
91	G	98.2	Very high	97.2	Very high	36 Å²	36	36.7 Å²	36.7	37%	0.371	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-7.3	-179.4	0	0	0	0	0	115.6	V112	G91-V112 PolarHBondContact N-O 3.31Å
92	Q	98.6	Very high	97	Very high	39 Å²	39	33.4 Å²	33.4	18%	0.182	18%	0.179	C	C	.	.			trans	-76.7	158	179	-67.8	-164.9	-49.4	0	0	112.7	R89 R90 V112 G116 K117 D162	R89-Q92 HydrophobicContact CB-CG 4.39Å; R89-Q92 WeakPolarHBondContact O-CB 3.37Å; R89-Q92 WeakPolarHBondContact O-CG 3.39Å; R89-Q92 PolarHBondContact O-N 3.34Å; R90-Q92 VanDerWaalsContact C-N 3.26Å; R90-Q92 PolarHBondContact O-N 2.97Å; Q92-V112 HydrophobicContact CB-CG1 4.5Å; Q92-V112 WeakPolarHBondContact O-CG1 3.46Å; Q92-G116 WeakPolarHBondContact O-CA 3.5Å; Q92-K117 PolarHBondContact O-N 2.93Å; Q92-D162 HydrophobicContact CB-CB 4.03Å; Q92-D162 HydrophobicContact CG-CB 4.18Å
93	T	98.8	Very high	96.8	Very high	29 Å²	29	35.2 Å²	35.2	18%	0.178	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.4	174.7	-56	0	0	0	0	110	K117 F161 D162 C163	T93-K117 CarbonylContact C-O 3.58Å; T93-K117 VanDerWaalsContact CA-O 3.32Å; T93-K117 WeakPolarHBondContact CA-O 3.37Å; T93-K117 HydrophobicContact CG2-CB 4.36Å; T93-F161 HydrophobicContact CG2-CD1 3.74Å; T93-F161 HydrophobicContact CG2-CE1 3.99Å; T93-D162 PolarHBondContact N-OD2 2.65Å; T93-D162 PolarHBondContact O-N 2.98Å; T93-C163 PolarHBondContact O-N 3.01Å
94	V	98.9	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.8	-176.2	-177.1	0	0	0	0	110.4	V88 F108 V112 K117 V118 V119 C163	V88-V94 HydrophobicContact CB-CG2 4.48Å; V88-V94 HydrophobicContact CG1-CG2 3.78Å; V88-V94 HydrophobicContact CG2-CG2 3.79Å; V94-F108 HydrophobicContact CG1-CB 4.41Å; V94-F108 HydrophobicContact CG1-CD1 4.17Å; V94-F108 HydrophobicContact CG1-CD2 3.93Å; V94-F108 HydrophobicContact CG1-CE1 4.39Å; V94-F108 HydrophobicContact CG1-CE2 4.16Å; V94-F108 HydrophobicContact CG1-CG 3.94Å; V94-F108 HydrophobicContact CG1-CZ 4.38Å; V94-F108 HydrophobicContact CG2-CD1 4.27Å; V94-V112 HydrophobicContact CG2-CG1 3.81Å; V94-K117 PolarHBondContact N-O 2.91Å; V94-V118 HydrophobicContact CB-CG1 4.41Å; V94-V118 HydrophobicContact CB-CG2 4.36Å; V94-V118 CarbonylContact O-C 3.57Å; V94-V118 WeakPolarHBondContact O-CA 3.44Å; V94-V119 PolarHBondContact O-N 3.3Å; V94-C163 CarbonylContact C-O 3.58Å; V94-C163 WeakPolarHBondContact CA-O 3.4Å; V94-C163 HydrophobicContact CG1-CB 4.38Å; V94-C163 HydrophobicContact CG2-CB 4.23Å
95	L	98.9	Very high	96.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.8	166.4	179.4	62	0	0	0	109.1	L97 V119 A121 L154 F156 F161 C163 I164 T165 V186	L95-L97 HydrophobicContact CD2-CB 4.46Å; L95-L97 HydrophobicContact CG-CB 4.23Å; L95-V119 HydrophobicContact CD1-CB 3.94Å; L95-V119 HydrophobicContact CD1-CG1 3.84Å; L95-A121 HydrophobicContact CD1-CB 3.68Å; L95-L154 HydrophobicContact CD2-CD1 4.02Å; L95-L154 HydrophobicContact CD2-CD2 4.39Å; L95-F156 HydrophobicContact CD1-CE2 3.85Å; L95-F156 HydrophobicContact CD1-CZ 4.22Å; L95-F156 HydrophobicContact CD2-CD2 4.44Å; L95-F156 HydrophobicContact CD2-CE2 4.2Å; L95-F161 HydrophobicContact CB-CD1 3.55Å; L95-F161 HydrophobicContact CB-CD2 4.13Å; L95-F161 HydrophobicContact CB-CE1 3.68Å; L95-F161 HydrophobicContact CB-CE2 4.23Å; L95-F161 HydrophobicContact CB-CG 3.79Å; L95-F161 HydrophobicContact CB-CZ 4.02Å; L95-F161 HydrophobicContact CD1-CE1 4.28Å; L95-F161 HydrophobicContact CD1-CZ 4.08Å; L95-F161 HydrophobicContact CD2-CD2 4.24Å; L95-F161 HydrophobicContact CD2-CE2 4.03Å; L95-F161 HydrophobicContact CD2-CZ 4.33Å; L95-F161 HydrophobicContact CG-CE1 4.46Å; L95-F161 HydrophobicContact CG-CZ 4.37Å; L95-C163 PolarHBondContact N-O 3.37Å; L95-I164 HydrophobicContact CB-CB 4.47Å; L95-I164 HydrophobicContact CB-CG1 4.05Å; L95-I164 HydrophobicContact CB-CG2 4.3Å; L95-I164 HydrophobicContact CD2-CD1 4.47Å; L95-I164 HydrophobicContact CD2-CG1 4.27Å; L95-I164 HydrophobicContact CD2-CG2 4.11Å; L95-I164 HydrophobicContact CG-CG2 4.33Å; L95-I164 CarbonylContact O-C 3.52Å; L95-I164 WeakPolarHBondContact O-CA 3.32Å; L95-T165 PolarHBondContact O-N 3.31Å; L95-V186 HydrophobicContact CD2-CG2 4.49Å
96	D	98.7	Very high	96.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	90.9	169.4	-170.2	21.9	0	0	0	108.5	T105 V118 V119 A121 T165	D96-T105 WeakPolarHBondContact CB-OG1 3.48Å; D96-T105 WeakPolarHBondContact OD2-CB 3.34Å; D96-T105 PolarHBondContact OD2-N 3.42Å; D96-T105 PolarHBondContact OD2-OG1 3.49Å; D96-V118 HydrophobicContact CB-CG1 4.42Å; D96-V119 PolarHBondContact N-O 2.57Å; D96-A121 PolarHBondContact O-N 3.04Å; D96-T165 PolarHBondContact OD1-OG1 3.43Å; D96-T165 VanDerWaalsContact OD1-OG1 3.06Å
97	L	98.3	Very high	96.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.8	-174	-175.9	61.3	0	0	0	111.3	L95 G99 A121 A151 L154 T165 I166 M183	L95-L97 HydrophobicContact CD2-CB 4.46Å; L95-L97 HydrophobicContact CG-CB 4.23Å; L97-G99 PolarHBondContact O-N 3.42Å; L97-A121 CarbonylContact C-O 3.58Å; L97-A121 HydrophobicContact CD1-CB 3.91Å; L97-A151 HydrophobicContact CD1-CB 4.37Å; L97-A151 HydrophobicContact CD2-CB 3.8Å; L97-A151 HydrophobicContact CG-CB 4.34Å; L97-L154 HydrophobicContact CD1-CD2 3.75Å; L97-L154 HydrophobicContact CD2-CD1 4.41Å; L97-L154 HydrophobicContact CD2-CD2 4.12Å; L97-T165 WeakPolarHBondContact CB-O 3.42Å; L97-T165 PolarHBondContact N-O 3.12Å; L97-I166 HydrophobicContact CB-CB 4.39Å; L97-I166 HydrophobicContact CD2-CD1 4.25Å; L97-I166 HydrophobicContact CG-CD1 4.28Å; L97-I166 WeakPolarHBondContact O-CA 3.49Å; L97-M183 HydrophobicContact CD2-CE 3.55Å; L97-M183 HydrophobicContact CD2-CG 4.02Å; L97-M183 HydrophobicContact CD2-SD 4.04Å
98	A	96.4	Very high	96.8	Very high	29 Å²	29	31.9 Å²	31.9	24%	0.24	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.7	-163.4	0	0	0	0	0	111.2	G100 A121 I166	A98-G100 PolarHBondContact O-N 3.05Å; A98-A121 WeakPolarHBondContact CA-O 3.42Å; A98-A121 PolarHBondContact N-O 2.88Å; A98-I166 HydrophobicContact CB-CD1 4.4Å; A98-I166 HydrophobicContact CB-CG1 4.21Å
99	G	95.1	Very high	96.8	Very high	14 Å²	14	31.6 Å²	31.6	14%	0.144	16%	0.157	C	C	.	.			trans	-71.3	-9.9	-174.1	0	0	0	0	0	113.5	L97 T101 G102 L120 A121	L97-G99 PolarHBondContact O-N 3.42Å; G99-T101 PolarHBondContact O-N 3.24Å; G99-G102 PolarHBondContact O-N 3.36Å; G99-L120 VanDerWaalsContact CA-CD1 3.42Å; G99-A121 PolarHBondContact N-O 3.33Å
100	G	91.1	Very high	96.8	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-118.7	172.4	0	0	0	0	0	113.5	A98 G102 D122	A98-G100 PolarHBondContact O-N 3.05Å; G100-G102 PolarHBondContact O-N 2.98Å; G100-D122 WeakPolarHBondContact CA-OD2 3.33Å; G100-D122 PolarHBondContact N-OD2 3.23Å; G100-D122 VanDerWaalsContact N-OD2 3.1Å
101	T	90.8	Very high	96.8	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	3.7	179.9	64.6	0	0	0	0	113.9	Y63 D64 G99 M130 K134	Y63-T101 HydrophobicContact CD1-CG2 4.26Å; D64-T101 PolarHBondContact OD1-OG1 2.97Å; G99-T101 PolarHBondContact O-N 3.24Å; T101-M130 HydrophobicContact CG2-CB 4.45Å; T101-K134 WeakPolarHBondContact O-CD 3.34Å; T101-K134 PolarHBondContact OG1-NZ 3.34Å
102	G	94.3	Very high	96.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	23.9	168.1	0	0	0	0	0	115.9	G99 G100 T105 A106	G99-G102 PolarHBondContact O-N 3.36Å; G100-G102 PolarHBondContact O-N 2.98Å; G102-T105 PolarHBondContact O-N 3.17Å; G102-A106 WeakPolarHBondContact O-CB 3.39Å; G102-A106 PolarHBondContact O-N 3.37Å
103	D	93.7	Very high	96.7	Very high	39 Å²	39	22.3 Å²	22.3	21%	0.209	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-45.9	179.8	-87.8	-7.5	0	0	0	113.6	K79 K134	K79-D103 HydrophobicContact CD-CB 4.03Å; K79-D103 IonicContact NZ-OD2 3.77Å; K79-D103 PolarHBondContact NZ-OD2 3.47Å; D103-K134 IonicContact OD1-NZ 2.69Å; D103-K134 PolarHBondContact OD1-NZ 3.5Å
104	L	96.8	Very high	96.5	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-74.6	-43.8	176.2	-72.4	178.8	0	0	0	110	K79 I83 A106 K107 F108	K79-L104 HydrophobicContact CB-CD2 3.85Å; K79-L104 HydrophobicContact CG-CD2 4.19Å; K79-L104 HydrophobicContact CG-CG 4.49Å; I83-L104 HydrophobicContact CD1-CD2 3.81Å; I83-L104 HydrophobicContact CG1-CD2 3.82Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 2.9Å; L104-K107 PolarHBondContact O-N 3.37Å; L104-F108 HydrophobicContact CB-CD2 4.05Å; L104-F108 HydrophobicContact CB-CE2 3.99Å; L104-F108 WeakPolarHBondContact O-CD2 3.26Å; L104-F108 PolarHBondContact O-N 3.36Å
105	T	98.1	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-47.4	-47.8	173.1	-67.6	0	0	0	0	112.9	D96 G102 K107 F108 S109 V118 L120 L135 V144	D96-T105 WeakPolarHBondContact CB-OG1 3.48Å; D96-T105 WeakPolarHBondContact OD2-CB 3.34Å; D96-T105 PolarHBondContact OD2-N 3.42Å; D96-T105 PolarHBondContact OD2-OG1 3.49Å; G102-T105 PolarHBondContact O-N 3.17Å; T105-K107 VanDerWaalsContact C-N 3.3Å; T105-K107 PolarHBondContact O-N 3.1Å; T105-F108 PolarHBondContact O-N 3.32Å; T105-S109 VanDerWaalsContact O-CB 3.27Å; T105-S109 WeakPolarHBondContact O-CB 3.45Å; T105-S109 PolarHBondContact O-N 3.49Å; T105-V118 HydrophobicContact CG2-CG1 3.98Å; T105-L120 HydrophobicContact CG2-CB 4.09Å; T105-L120 WeakPolarHBondContact OG1-CD1 3.27Å; T105-L135 HydrophobicContact CG2-CD1 3.62Å; T105-L135 HydrophobicContact CG2-CD2 4.23Å; T105-V144 HydrophobicContact CG2-CB 4.47Å; T105-V144 HydrophobicContact CG2-CG1 3.6Å; T105-V144 HydrophobicContact CG2-CG2 3.95Å
106	A	97.4	Very high	96.4	Very high	11 Å²	11	35.4 Å²	35.4	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-40.8	178.7	0	0	0	0	0	112.6	G102 L104 R110 L135 I138 V140	G102-A106 WeakPolarHBondContact O-CB 3.39Å; G102-A106 PolarHBondContact O-N 3.37Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 2.9Å; A106-R110 WeakPolarHBondContact O-CG 3.39Å; A106-L135 HydrophobicContact CB-CD2 3.62Å; A106-I138 HydrophobicContact CB-CD1 3.88Å; A106-V140 HydrophobicContact CB-CG2 4.26Å
107	K	97	Very high	96.4	Very high	71 Å²	71	38.4 Å²	38.4	31%	0.309	20%	0.199	S	C	.	.	H	α-helix	trans	-73.7	-44.1	179.5	-65.8	-178.6	-177.3	-178.2	0	111.1	I83 L104 T105 R110 L111	I83-K107 HydrophobicContact CD1-CB 3.82Å; I83-K107 HydrophobicContact CD1-CD 4.46Å; I83-K107 HydrophobicContact CG1-CB 4.11Å; I83-K107 HydrophobicContact CG1-CD 3.91Å; L104-K107 PolarHBondContact O-N 3.37Å; T105-K107 VanDerWaalsContact C-N 3.3Å; T105-K107 PolarHBondContact O-N 3.1Å; K107-R110 PolarHBondContact O-N 3.04Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.34Å; K107-L111 VanDerWaalsContact O-N 3.1Å
108	F	98.3	Very high	96.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-42.2	176.9	-77.1	-55.4	0	0	0	112.1	I83 S86 V88 V94 L104 T105 R110 L111 V112 V118 T165	I83-F108 HydrophobicContact CD1-CD1 3.78Å; I83-F108 HydrophobicContact CD1-CD2 3.85Å; I83-F108 HydrophobicContact CD1-CE1 3.5Å; I83-F108 HydrophobicContact CD1-CE2 3.59Å; I83-F108 HydrophobicContact CD1-CG 3.94Å; I83-F108 HydrophobicContact CD1-CZ 3.42Å; I83-F108 VanDerWaalsContact CD1-CZ 3.42Å; S86-F108 WeakPolarHBondContact OG-CE1 3.4Å; V88-F108 HydrophobicContact CB-CD1 4.08Å; V88-F108 HydrophobicContact CB-CE1 4Å; V88-F108 HydrophobicContact CG1-CD1 4.09Å; V88-F108 HydrophobicContact CG1-CE1 4.49Å; V88-F108 HydrophobicContact CG2-CD1 3.95Å; V88-F108 HydrophobicContact CG2-CE1 3.58Å; V94-F108 HydrophobicContact CG1-CB 4.41Å; V94-F108 HydrophobicContact CG1-CD1 4.17Å; V94-F108 HydrophobicContact CG1-CD2 3.93Å; V94-F108 HydrophobicContact CG1-CE1 4.39Å; V94-F108 HydrophobicContact CG1-CE2 4.16Å; V94-F108 HydrophobicContact CG1-CG 3.94Å; V94-F108 HydrophobicContact CG1-CZ 4.38Å; V94-F108 HydrophobicContact CG2-CD1 4.27Å; L104-F108 HydrophobicContact CB-CD2 4.05Å; L104-F108 HydrophobicContact CB-CE2 3.99Å; L104-F108 WeakPolarHBondContact O-CD2 3.26Å; L104-F108 PolarHBondContact O-N 3.36Å; T105-F108 PolarHBondContact O-N 3.32Å; F108-R110 VanDerWaalsContact C-N 3.26Å; F108-R110 PolarHBondContact O-N 2.95Å; F108-L111 HydrophobicContact CD1-CD1 4.4Å; F108-L111 PolarHBondContact O-N 3.39Å; F108-V112 WeakPolarHBondContact O-CG1 3.37Å; F108-V112 WeakPolarHBondContact O-CG2 3.36Å; F108-V112 PolarHBondContact O-N 2.9Å; F108-V118 HydrophobicContact CB-CG1 4.25Å; F108-V118 HydrophobicContact CB-CG2 3.67Å; F108-T165 HydrophobicContact CE2-CG2 3.51Å; F108-T165 HydrophobicContact CZ-CG2 3.45Å; F108-T165 VanDerWaalsContact CZ-CG2 3.45Å
109	S	98.2	Very high	96.5	Very high	9 Å²	9	37 Å²	37	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-55.1	-43.7	178.1	160.4	0	0	0	0	111.3	T105 G113 V140 N143	T105-S109 VanDerWaalsContact O-CB 3.27Å; T105-S109 WeakPolarHBondContact O-CB 3.45Å; T105-S109 PolarHBondContact O-N 3.49Å; S109-G113 PolarHBondContact O-N 3.4Å; S109-G113 VanDerWaalsContact O-N 3.15Å; S109-V140 WeakPolarHBondContact OG-CG1 3.44Å; S109-N143 WeakPolarHBondContact CB-OD1 3.4Å; S109-N143 PolarHBondContact O-ND2 2.84Å; S109-N143 PolarHBondContact OG-OD1 2.91Å
110	R	96.9	Very high	96.7	Very high	167 Å²	167	36.3 Å²	36.3	63%	0.63	18%	0.18	S	C	*	.	H	α-helix	trans	-68.8	-37.5	176.7	-65.9	173	-177.1	-178.9	0.6	112.6	A106 K107 F108	A106-R110 WeakPolarHBondContact O-CG 3.39Å; K107-R110 PolarHBondContact O-N 3.04Å; F108-R110 VanDerWaalsContact C-N 3.26Å; F108-R110 PolarHBondContact O-N 2.95Å
111	L	97.6	Very high	97	Very high	71 Å²	71	36.1 Å²	36.1	37%	0.372	18%	0.179	S	C	.	.	H	α-helix	trans	-70.9	-43.6	-179.8	-74.8	169.5	0	0	0	113	I83 V88 R90 K107 F108 G113	I83-L111 HydrophobicContact CG2-CD1 3.41Å; I83-L111 VanDerWaalsContact CG2-CD1 3.41Å; V88-L111 HydrophobicContact CG1-CB 4.4Å; R90-L111 WeakPolarHBondContact CG-O 3.39Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.34Å; K107-L111 VanDerWaalsContact O-N 3.1Å; F108-L111 HydrophobicContact CD1-CD1 4.4Å; F108-L111 PolarHBondContact O-N 3.39Å; L111-G113 VanDerWaalsContact C-N 3.28Å
112	V	98.4	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-73.7	-24.9	179.4	-56.8	0	0	0	0	111.6	V88 R90 G91 Q92 V94 F108 G116 V118	V88-V112 HydrophobicContact CG1-CG1 3.42Å; V88-V112 VanDerWaalsContact CG1-CG1 3.42Å; R90-V112 CarbonylContact C-O 3.59Å; R90-V112 VanDerWaalsContact CA-O 3.26Å; R90-V112 WeakPolarHBondContact CA-O 3.46Å; G91-V112 PolarHBondContact N-O 3.31Å; Q92-V112 HydrophobicContact CB-CG1 4.5Å; Q92-V112 WeakPolarHBondContact O-CG1 3.46Å; V94-V112 HydrophobicContact CG2-CG1 3.81Å; F108-V112 WeakPolarHBondContact O-CG1 3.37Å; F108-V112 WeakPolarHBondContact O-CG2 3.36Å; F108-V112 PolarHBondContact O-N 2.9Å; V112-G116 PolarHBondContact O-N 3.44Å; V112-V118 HydrophobicContact CG2-CG2 3.88Å
113	G	97	Very high	97.3	Very high	10 Å²	10	39.9 Å²	39.9	10%	0.103	20%	0.198	C	C	.	.			trans	67.2	-173.8	178.4	0	0	0	0	0	113	S109 L111 T115 G116 N143	S109-G113 PolarHBondContact O-N 3.4Å; S109-G113 VanDerWaalsContact O-N 3.15Å; L111-G113 VanDerWaalsContact C-N 3.28Å; G113-T115 VanDerWaalsContact C-N 3.25Å; G113-T115 PolarHBondContact O-N 2.92Å; G113-G116 PolarHBondContact O-N 3.47Å; G113-G116 VanDerWaalsContact O-N 3.08Å; G113-N143 PolarHBondContact O-ND2 3.09Å
114	E	95.4	Very high	97.2	Very high	184 Å²	184	38.5 Å²	38.5	86%	0.86	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26	-172.1	-64.1	172.5	-178.1	0	0	114.3
115	T	96.8	Very high	97	Very high	113 Å²	113	44.7 Å²	44.7	69%	0.693	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-12	177.8	58.7	0	0	0	0	113.2	G113	G113-T115 VanDerWaalsContact C-N 3.25Å; G113-T115 PolarHBondContact O-N 2.92Å
116	G	98.3	Very high	96.7	Very high	7 Å²	7	46 Å²	46	7%	0.072	23%	0.228	C	C	.	.	S	Bend	trans	-102.2	177.7	175.7	0	0	0	0	0	111.6	Q92 V112 G113 N143	Q92-G116 WeakPolarHBondContact O-CA 3.5Å; V112-G116 PolarHBondContact O-N 3.44Å; G113-G116 PolarHBondContact O-N 3.47Å; G113-G116 VanDerWaalsContact O-N 3.08Å; G116-N143 WeakPolarHBondContact O-CB 3Å
117	K	98.3	Very high	96.5	Very high	65 Å²	65	45.7 Å²	45.7	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.2	-174.7	-169.5	174.9	99.9	168.3	0	111.6	Q92 T93 V94 E145	Q92-K117 PolarHBondContact O-N 2.93Å; T93-K117 CarbonylContact C-O 3.58Å; T93-K117 VanDerWaalsContact CA-O 3.32Å; T93-K117 WeakPolarHBondContact CA-O 3.37Å; T93-K117 HydrophobicContact CG2-CB 4.36Å; V94-K117 PolarHBondContact N-O 2.91Å; K117-E145 HydrophobicContact CD-CG 4.32Å; K117-E145 WeakPolarHBondContact CD-OE1 3.35Å; K117-E145 WeakPolarHBondContact CE-OE1 3.22Å; K117-E145 VanDerWaalsContact CE-OE2 3.32Å; K117-E145 WeakPolarHBondContact CE-OE2 3.33Å; K117-E145 IonicContact NZ-OE1 2.8Å; K117-E145 PolarHBondContact NZ-OE1 3.24Å; K117-E145 IonicContact NZ-OE2 2.76Å; K117-E145 PolarHBondContact NZ-OE2 2.87Å
118	V	98.7	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.7	167.9	-172.1	0	0	0	0	109.5	V94 D96 T105 F108 V112 N143 V144 E145	V94-V118 HydrophobicContact CB-CG1 4.41Å; V94-V118 HydrophobicContact CB-CG2 4.36Å; V94-V118 CarbonylContact O-C 3.57Å; V94-V118 WeakPolarHBondContact O-CA 3.44Å; D96-V118 HydrophobicContact CB-CG1 4.42Å; T105-V118 HydrophobicContact CG2-CG1 3.98Å; F108-V118 HydrophobicContact CB-CG1 4.25Å; F108-V118 HydrophobicContact CB-CG2 3.67Å; V112-V118 HydrophobicContact CG2-CG2 3.88Å; V118-N143 PolarHBondContact N-O 3.17Å; V118-V144 HydrophobicContact CB-CG2 4.47Å; V118-V144 CarbonylContact O-C 3.51Å; V118-V144 VanDerWaalsContact O-CA 3.28Å; V118-V144 WeakPolarHBondContact O-CA 3.49Å; V118-E145 PolarHBondContact O-N 2.87Å
119	V	98.6	Very high	96.1	Very high	1 Å²	1	50 Å²	50	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112	169.9	-179.2	0	0	0	0	107.4	V94 L95 D96 E145 V147 F156 F161	V94-V119 PolarHBondContact O-N 3.3Å; L95-V119 HydrophobicContact CD1-CB 3.94Å; L95-V119 HydrophobicContact CD1-CG1 3.84Å; D96-V119 PolarHBondContact N-O 2.57Å; V119-E145 HydrophobicContact CG2-CB 4.3Å; V119-V147 HydrophobicContact CG1-CB 4.15Å; V119-V147 HydrophobicContact CG1-CG2 3.69Å; V119-F156 HydrophobicContact CG1-CE1 4.17Å; V119-F156 HydrophobicContact CG1-CZ 3.75Å; V119-F161 HydrophobicContact CB-CE1 4Å; V119-F161 HydrophobicContact CB-CZ 4.39Å; V119-F161 HydrophobicContact CG2-CE1 3.72Å; V119-F161 HydrophobicContact CG2-CZ 4.17Å
120	L	98.4	Very high	95.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.5	168.2	172.7	55.3	0	0	0	108.1	G99 T105 L128 L135 V144 E145 Y146 V147	G99-L120 VanDerWaalsContact CA-CD1 3.42Å; T105-L120 HydrophobicContact CG2-CB 4.09Å; T105-L120 WeakPolarHBondContact OG1-CD1 3.27Å; L120-L128 HydrophobicContact CD2-CD1 4.17Å; L120-L128 HydrophobicContact CG-CD1 3.82Å; L120-L135 HydrophobicContact CD2-CD1 3.84Å; L120-V144 HydrophobicContact CB-CG1 4.32Å; L120-E145 PolarHBondContact N-O 2.87Å; L120-Y146 HydrophobicContact CB-CD1 4.32Å; L120-Y146 HydrophobicContact CD2-CD1 3.9Å; L120-Y146 HydrophobicContact CD2-CE1 3.86Å; L120-Y146 HydrophobicContact CG-CD1 4.4Å; L120-Y146 WeakPolarHBondContact O-CA 3.29Å; L120-V147 PolarHBondContact O-N 3.48Å
121	A	98.2	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.6	-179.8	0	0	0	0	0	112.1	L95 D96 L97 A98 G99 V147 A149	L95-A121 HydrophobicContact CD1-CB 3.68Å; D96-A121 PolarHBondContact O-N 3.04Å; L97-A121 CarbonylContact C-O 3.58Å; L97-A121 HydrophobicContact CD1-CB 3.91Å; A98-A121 WeakPolarHBondContact CA-O 3.42Å; A98-A121 PolarHBondContact N-O 2.88Å; G99-A121 PolarHBondContact N-O 3.33Å; A121-V147 WeakPolarHBondContact CA-O 3.43Å; A121-A149 HydrophobicContact CB-CB 4.35Å
122	D	97	Very high	95.6	Very high	12 Å²	12	48 Å²	48	6%	0.064	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.5	174.9	-152.8	-63.9	0	0	0	110.1	G100 N124 V147 Q148 A149	G100-D122 WeakPolarHBondContact CA-OD2 3.33Å; G100-D122 PolarHBondContact N-OD2 3.23Å; G100-D122 VanDerWaalsContact N-OD2 3.1Å; D122-N124 VanDerWaalsContact C-N 3.32Å; D122-N124 WeakPolarHBondContact OD1-CB 3.4Å; D122-N124 PolarHBondContact OD1-N 2.86Å; D122-V147 PolarHBondContact N-O 3.33Å; D122-Q148 CarbonylContact O-C 3.58Å; D122-Q148 WeakPolarHBondContact O-CA 3.46Å; D122-Q148 WeakPolarHBondContact O-CG 3.29Å; D122-A149 CarbonylContact C-O 3.54Å; D122-A149 PolarHBondContact O-N 2.89Å
123	I	94.4	Very high	95.5	Very high	73 Å²	73	52.2 Å²	52.2	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-77.2	-27.2	173.9	-163.6	170.6	0	0	0	110.9	Q148 A149 N150	I123-Q148 PolarHBondContact O-NE2 3.02Å; I123-A149 WeakPolarHBondContact CA-O 3.26Å; I123-A149 PolarHBondContact N-O 2.94Å; I123-N150 HydrophobicContact CD1-CB 4.14Å
124	N	92.5	Very high	95.4	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.048	26%	0.26	C	S	.	.			trans	-92.5	115.3	-174.5	-175.4	-65.9	0	0	0	111.1	A53 H57 D122 S126 M127 L128	A53-N124 PolarHBondContact O-ND2 3.4Å; H57-N124 PolarHBondContact N-ND2 3.24Å; D122-N124 VanDerWaalsContact C-N 3.32Å; D122-N124 WeakPolarHBondContact OD1-CB 3.4Å; D122-N124 PolarHBondContact OD1-N 2.86Å; N124-S126 PolarHBondContact O-N 3.34Å; N124-S126 WeakPolarHBondContact OD1-CA 3.49Å; N124-S126 WeakPolarHBondContact OD1-CB 3.34Å; N124-S126 PolarHBondContact OD1-N 2.98Å; N124-S126 PolarHBondContact OD1-OG 3.36Å; N124-M127 HydrophobicContact CB-CB 4.11Å; N124-M127 HydrophobicContact CB-CG 3.91Å; N124-M127 PolarHBondContact O-N 3.05Å; N124-M127 WeakPolarHBondContact OD1-CG 3.47Å; N124-M127 PolarHBondContact OD1-N 3.48Å; N124-L128 PolarHBondContact O-N 3.31Å; N124-L128 VanDerWaalsContact O-N 3.12Å
125	E	92.5	Very high	95.4	Very high	136 Å²	136	45.5 Å²	45.5	64%	0.636	22%	0.219	S	C	*	.	H	α-helix	trans	-61	-41.1	-179.2	-173.4	-175.9	-176.8	0	0	112.7	M127 L128 K129	E125-M127 VanDerWaalsContact C-N 3.33Å; E125-M127 PolarHBondContact O-N 3.43Å; E125-L128 PolarHBondContact O-N 3.34Å; E125-K129 WeakPolarHBondContact O-CB 3.34Å; E125-K129 PolarHBondContact O-N 2.83Å
126	S	91.5	Very high	95.4	Very high	27 Å²	27	47.3 Å²	47.3	19%	0.189	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-38.1	179.5	40.8	0	0	0	0	112.7	H57 N124 K129 M130	H57-S126 WeakPolarHBondContact ND1-CB 3.47Å; H57-S126 PolarHBondContact ND1-OG 3.47Å; N124-S126 PolarHBondContact O-N 3.34Å; N124-S126 WeakPolarHBondContact OD1-CA 3.49Å; N124-S126 WeakPolarHBondContact OD1-CB 3.34Å; N124-S126 PolarHBondContact OD1-N 2.98Å; N124-S126 PolarHBondContact OD1-OG 3.36Å; S126-K129 PolarHBondContact O-N 2.94Å; S126-M130 WeakPolarHBondContact O-CB 3.32Å; S126-M130 VanDerWaalsContact O-CG 3.29Å; S126-M130 WeakPolarHBondContact O-CG 3.47Å; S126-M130 PolarHBondContact O-N 3.1Å
127	M	91.7	Very high	95.2	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-45.8	174.8	-67.2	-69.2	-92.2	0	0	110.7	F56 A60 Y63 N124 E125 K129 M130 G131	F56-M127 HydrophobicContact CB-CG 4.15Å; F56-M127 HydrophobicContact CD1-CE 3.72Å; F56-M127 HydrophobicContact CD1-SD 4.49Å; F56-M127 HydrophobicContact CE1-CE 4.33Å; A60-M127 HydrophobicContact CB-CG 4.47Å; A60-M127 HydrophobicContact CB-SD 3.63Å; Y63-M127 HydrophobicContact CD1-CE 4.33Å; Y63-M127 HydrophobicContact CD2-CE 3.92Å; Y63-M127 HydrophobicContact CE1-CE 4.38Å; Y63-M127 HydrophobicContact CE2-CE 4.01Å; Y63-M127 HydrophobicContact CG-CE 4.1Å; N124-M127 HydrophobicContact CB-CB 4.11Å; N124-M127 HydrophobicContact CB-CG 3.91Å; N124-M127 PolarHBondContact O-N 3.05Å; N124-M127 WeakPolarHBondContact OD1-CG 3.47Å; N124-M127 PolarHBondContact OD1-N 3.48Å; E125-M127 VanDerWaalsContact C-N 3.33Å; E125-M127 PolarHBondContact O-N 3.43Å; M127-K129 VanDerWaalsContact C-N 3.34Å; M127-K129 PolarHBondContact O-N 2.86Å; M127-M130 PolarHBondContact O-N 3.21Å; M127-G131 PolarHBondContact O-N 3.15Å
128	L	93.8	Very high	95.1	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-39.2	178.4	-167.9	65.3	0	0	0	112.4	L120 N124 E125 G131 R132 Y146 Q148	L120-L128 HydrophobicContact CD2-CD1 4.17Å; L120-L128 HydrophobicContact CG-CD1 3.82Å; N124-L128 PolarHBondContact O-N 3.31Å; N124-L128 VanDerWaalsContact O-N 3.12Å; E125-L128 PolarHBondContact O-N 3.34Å; L128-G131 PolarHBondContact O-N 3.4Å; L128-R132 WeakPolarHBondContact O-CB 3.44Å; L128-R132 PolarHBondContact O-N 3.24Å; L128-Y146 HydrophobicContact CD1-CD1 4.03Å; L128-Q148 HydrophobicContact CD2-CB 4.29Å
129	K	94.1	Very high	94.9	Very high	149 Å²	149	55.3 Å²	55.3	65%	0.648	27%	0.269	S	S	*	.	H	α-helix	trans	-63.2	-48.3	175.6	-175.6	-179.8	178.2	-178.2	0	111.4	E125 S126 M127 G131 R132 E133	E125-K129 WeakPolarHBondContact O-CB 3.34Å; E125-K129 PolarHBondContact O-N 2.83Å; S126-K129 PolarHBondContact O-N 2.94Å; M127-K129 VanDerWaalsContact C-N 3.34Å; M127-K129 PolarHBondContact O-N 2.86Å; K129-G131 VanDerWaalsContact C-N 3.34Å; K129-G131 PolarHBondContact O-N 3.5Å; K129-R132 PolarHBondContact O-N 3.48Å; K129-E133 PolarHBondContact O-N 2.99Å
130	M	92.6	Very high	94.7	Very high	71 Å²	71	55.6 Å²	55.6	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-44.4	175.6	-73.8	-65.3	-61	0	0	111.5	A60 T101 S126 M127 E133 K134	A60-M130 HydrophobicContact CB-CG 4.43Å; T101-M130 HydrophobicContact CG2-CB 4.45Å; S126-M130 WeakPolarHBondContact O-CB 3.32Å; S126-M130 VanDerWaalsContact O-CG 3.29Å; S126-M130 WeakPolarHBondContact O-CG 3.47Å; S126-M130 PolarHBondContact O-N 3.1Å; M127-M130 PolarHBondContact O-N 3.21Å; M130-E133 PolarHBondContact O-N 3.21Å; M130-K134 WeakPolarHBondContact O-CB 3.38Å; M130-K134 PolarHBondContact O-N 2.86Å
131	G	94.4	Very high	94	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-45.8	176.5	0	0	0	0	0	112.6	M127 L128 K129 E133 K134 L135	M127-G131 PolarHBondContact O-N 3.15Å; L128-G131 PolarHBondContact O-N 3.4Å; K129-G131 VanDerWaalsContact C-N 3.34Å; K129-G131 PolarHBondContact O-N 3.5Å; G131-E133 PolarHBondContact O-N 3.39Å; G131-K134 PolarHBondContact O-N 3.45Å; G131-L135 WeakPolarHBondContact O-CB 3.42Å; G131-L135 VanDerWaalsContact O-CG 3.22Å; G131-L135 WeakPolarHBondContact O-CG 3.27Å; G131-L135 PolarHBondContact O-N 2.57Å
132	R	95.3	Very high	93.6	Very high	132 Å²	132	65.6 Å²	65.6	50%	0.498	34%	0.344	S	S	.	.	H	α-helix	trans	-59.2	-46.6	176.3	-175.1	-176.4	-63.2	-159.6	5.3	112.6	L128 K129 R136 Y146	L128-R132 WeakPolarHBondContact O-CB 3.44Å; L128-R132 PolarHBondContact O-N 3.24Å; K129-R132 PolarHBondContact O-N 3.48Å; R132-R136 WeakPolarHBondContact O-CB 3.31Å; R132-R136 PolarHBondContact O-N 3.39Å; R132-R136 VanDerWaalsContact O-N 3.09Å; R132-Y146 HydrophobicContact CB-CD1 3.85Å; R132-Y146 HydrophobicContact CB-CE1 3.52Å; R132-Y146 HydrophobicContact CB-CG 4.47Å; R132-Y146 HydrophobicContact CG-CD1 4.25Å; R132-Y146 HydrophobicContact CG-CD2 4.3Å; R132-Y146 HydrophobicContact CG-CE1 3.86Å; R132-Y146 HydrophobicContact CG-CE2 3.94Å; R132-Y146 HydrophobicContact CG-CG 4.46Å
133	E	95.2	Very high	93.6	Very high	90 Å²	90	66 Å²	66	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-48	179	-178.1	171	-176.6	0	0	111.5	K129 M130 G131 L135 R136 N137	K129-E133 PolarHBondContact O-N 2.99Å; M130-E133 PolarHBondContact O-N 3.21Å; G131-E133 PolarHBondContact O-N 3.39Å; E133-L135 PolarHBondContact O-N 3.02Å; E133-R136 PolarHBondContact O-N 3.17Å; E133-N137 WeakPolarHBondContact O-CB 3.39Å; E133-N137 PolarHBondContact O-N 3.32Å; E133-N137 PolarHBondContact O-ND2 3.05Å; E133-N137 PolarHBondContact O-OD1 3.38Å
134	K	94.7	Very high	93.7	Very high	52 Å²	52	63.5 Å²	63.5	23%	0.226	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-49	178.1	175.8	173.2	161.3	-170.1	0	112	D64 T101 D103 M130 G131 R136 N137 I138	D64-K134 IonicContact OD1-NZ 3.17Å; D64-K134 IonicContact OD2-NZ 3.09Å; D64-K134 PolarHBondContact OD2-NZ 3.09Å; T101-K134 WeakPolarHBondContact O-CD 3.34Å; T101-K134 PolarHBondContact OG1-NZ 3.34Å; D103-K134 IonicContact OD1-NZ 2.69Å; D103-K134 PolarHBondContact OD1-NZ 3.5Å; M130-K134 WeakPolarHBondContact O-CB 3.38Å; M130-K134 PolarHBondContact O-N 2.86Å; G131-K134 PolarHBondContact O-N 3.45Å; K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 3.18Å; K134-N137 PolarHBondContact O-N 2.85Å; K134-N137 VanDerWaalsContact O-N 3.17Å; K134-I138 WeakPolarHBondContact O-CG1 3.3Å; K134-I138 PolarHBondContact O-N 3.21Å; K134-I138 VanDerWaalsContact O-N 3.12Å
135	L	96.7	Very high	94	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-44	-179.9	-73.9	168.5	0	0	0	111.7	T105 A106 L120 G131 E133 N137 I138 G139 V140 V144 Y146	T105-L135 HydrophobicContact CG2-CD1 3.62Å; T105-L135 HydrophobicContact CG2-CD2 4.23Å; A106-L135 HydrophobicContact CB-CD2 3.62Å; L120-L135 HydrophobicContact CD2-CD1 3.84Å; G131-L135 WeakPolarHBondContact O-CB 3.42Å; G131-L135 VanDerWaalsContact O-CG 3.22Å; G131-L135 WeakPolarHBondContact O-CG 3.27Å; G131-L135 PolarHBondContact O-N 2.57Å; E133-L135 PolarHBondContact O-N 3.02Å; L135-N137 PolarHBondContact O-N 3.22Å; L135-I138 HydrophobicContact CD2-CD1 4.42Å; L135-I138 VanDerWaalsContact O-CG1 3.29Å; L135-I138 WeakPolarHBondContact O-CG1 3.48Å; L135-I138 PolarHBondContact O-N 3.02Å; L135-G139 PolarHBondContact O-N 3.21Å; L135-V140 HydrophobicContact CB-CB 4.26Å; L135-V140 HydrophobicContact CD2-CB 3.95Å; L135-V140 HydrophobicContact CD2-CG1 3.88Å; L135-V140 HydrophobicContact CD2-CG2 4.37Å; L135-V140 PolarHBondContact O-N 3.21Å; L135-V144 HydrophobicContact CD1-CG1 4.27Å; L135-Y146 HydrophobicContact CD1-CE1 3.83Å
136	R	95.7	Very high	94.2	Very high	151 Å²	151	63.2 Å²	63.2	57%	0.57	33%	0.33	S	S	*	.	H	α-helix	trans	-59.7	-45.1	174.3	-174.5	-174.5	65.9	-170	-2.7	111.8	R132 E133 K134 I138 G139 I141	R132-R136 WeakPolarHBondContact O-CB 3.31Å; R132-R136 PolarHBondContact O-N 3.39Å; R132-R136 VanDerWaalsContact O-N 3.09Å; E133-R136 PolarHBondContact O-N 3.17Å; K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 3.18Å; R136-I138 VanDerWaalsContact C-N 3.25Å; R136-I138 PolarHBondContact O-N 2.88Å; R136-G139 PolarHBondContact O-N 3.24Å; R136-G139 VanDerWaalsContact O-N 3.1Å; R136-I141 HydrophobicContact CG-CG2 4.29Å
137	N	95.5	Very high	94.5	Very high	108 Å²	108	63.4 Å²	63.4	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-65.6	-27.1	-177.9	-68	-10.2	0	0	0	113	E133 K134 L135	E133-N137 WeakPolarHBondContact O-CB 3.39Å; E133-N137 PolarHBondContact O-N 3.32Å; E133-N137 PolarHBondContact O-ND2 3.05Å; E133-N137 PolarHBondContact O-OD1 3.38Å; K134-N137 PolarHBondContact O-N 2.85Å; K134-N137 VanDerWaalsContact O-N 3.17Å; L135-N137 PolarHBondContact O-N 3.22Å
138	I	95.4	Very high	94.7	Very high	80 Å²	80	68.7 Å²	68.7	41%	0.41	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	13	175.7	67.2	165.7	0	0	0	113.6	A106 K134 L135 R136 V140	A106-I138 HydrophobicContact CB-CD1 3.88Å; K134-I138 WeakPolarHBondContact O-CG1 3.3Å; K134-I138 PolarHBondContact O-N 3.21Å; K134-I138 VanDerWaalsContact O-N 3.12Å; L135-I138 HydrophobicContact CD2-CD1 4.42Å; L135-I138 VanDerWaalsContact O-CG1 3.29Å; L135-I138 WeakPolarHBondContact O-CG1 3.48Å; L135-I138 PolarHBondContact O-N 3.02Å; R136-I138 VanDerWaalsContact C-N 3.25Å; R136-I138 PolarHBondContact O-N 2.88Å; I138-V140 VanDerWaalsContact C-N 3.28Å; I138-V140 HydrophobicContact CD1-CG2 3.84Å; I138-V140 HydrophobicContact CG1-CB 4.33Å; I138-V140 HydrophobicContact CG1-CG2 3.9Å; I138-V140 PolarHBondContact O-N 3.42Å
139	G	93.9	Very high	94.8	Very high	52 Å²	52	68.4 Å²	68.4	54%	0.536	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	16.7	177.4	0	0	0	0	0	114.6	L135 R136 I141	L135-G139 PolarHBondContact O-N 3.21Å; R136-G139 PolarHBondContact O-N 3.24Å; R136-G139 VanDerWaalsContact O-N 3.1Å; G139-I141 PolarHBondContact O-N 3.22Å; G139-I141 VanDerWaalsContact O-N 3.17Å
140	V	94.2	Very high	94.9	Very high	6 Å²	6	64.3 Å²	64.3	4%	0.036	34%	0.339	C	S	.	.			trans	-84.8	87.5	171.2	176.9	0	0	0	0	107.9	A106 S109 L135 I138 V144	A106-V140 HydrophobicContact CB-CG2 4.26Å; S109-V140 WeakPolarHBondContact OG-CG1 3.44Å; L135-V140 HydrophobicContact CB-CB 4.26Å; L135-V140 HydrophobicContact CD2-CB 3.95Å; L135-V140 HydrophobicContact CD2-CG1 3.88Å; L135-V140 HydrophobicContact CD2-CG2 4.37Å; L135-V140 PolarHBondContact O-N 3.21Å; I138-V140 VanDerWaalsContact C-N 3.28Å; I138-V140 HydrophobicContact CD1-CG2 3.84Å; I138-V140 HydrophobicContact CG1-CB 4.33Å; I138-V140 HydrophobicContact CG1-CG2 3.9Å; I138-V140 PolarHBondContact O-N 3.42Å; V140-V144 HydrophobicContact CG1-CG2 3.73Å
141	I	85.1	Confident	95.2	Very high	124 Å²	124	61.3 Å²	61.3	64%	0.636	33%	0.326	S	S	*	.			trans	-131.6	148.4	-177.5	58.6	175	0	0	0	109.8	R136 G139	R136-I141 HydrophobicContact CG-CG2 4.29Å; G139-I141 PolarHBondContact O-N 3.22Å; G139-I141 VanDerWaalsContact O-N 3.17Å
142	G	88.7	Confident	95.3	Very high	87 Å²	87	62.7 Å²	62.7	90%	0.897	33%	0.333	S	S	*	.	S	Bend	trans	106.3	-44	170	0	0	0	0	0	116
143	N	97.2	Very high	95.4	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.112	33%	0.333	C	S	.	.	S	Bend	trans	-116.6	18.3	-176	73	-14.6	0	0	0	114.6	S109 G113 G116 V118	S109-N143 WeakPolarHBondContact CB-OD1 3.4Å; S109-N143 PolarHBondContact O-ND2 2.84Å; S109-N143 PolarHBondContact OG-OD1 2.91Å; G113-N143 PolarHBondContact O-ND2 3.09Å; G116-N143 WeakPolarHBondContact O-CB 3Å; V118-N143 PolarHBondContact N-O 3.17Å
144	V	98	Very high	95.5	Very high	19 Å²	19	55.2 Å²	55.2	12%	0.115	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123	176.6	-177.9	0	0	0	0	110.4	T105 V118 L120 L135 V140 Y146	T105-V144 HydrophobicContact CG2-CB 4.47Å; T105-V144 HydrophobicContact CG2-CG1 3.6Å; T105-V144 HydrophobicContact CG2-CG2 3.95Å; V118-V144 HydrophobicContact CB-CG2 4.47Å; V118-V144 CarbonylContact O-C 3.51Å; V118-V144 VanDerWaalsContact O-CA 3.28Å; V118-V144 WeakPolarHBondContact O-CA 3.49Å; L120-V144 HydrophobicContact CB-CG1 4.32Å; L135-V144 HydrophobicContact CD1-CG1 4.27Å; V140-V144 HydrophobicContact CG1-CG2 3.73Å; V144-Y146 HydrophobicContact CB-CE2 4.49Å; V144-Y146 HydrophobicContact CG1-CE1 4.15Å; V144-Y146 HydrophobicContact CG1-CE2 4.08Å
145	E	97.4	Very high	95.7	Very high	86 Å²	86	56.6 Å²	56.6	40%	0.402	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	150.7	168.4	-73.5	175.9	-164.8	0	0	110.4	K117 V118 V119 L120	K117-E145 HydrophobicContact CD-CG 4.32Å; K117-E145 WeakPolarHBondContact CD-OE1 3.35Å; K117-E145 WeakPolarHBondContact CE-OE1 3.22Å; K117-E145 VanDerWaalsContact CE-OE2 3.32Å; K117-E145 WeakPolarHBondContact CE-OE2 3.33Å; K117-E145 IonicContact NZ-OE1 2.8Å; K117-E145 PolarHBondContact NZ-OE1 3.24Å; K117-E145 IonicContact NZ-OE2 2.76Å; K117-E145 PolarHBondContact NZ-OE2 2.87Å; V118-E145 PolarHBondContact O-N 2.87Å; V119-E145 HydrophobicContact CG2-CB 4.3Å; L120-E145 PolarHBondContact N-O 2.87Å
146	Y	97.5	Very high	95.8	Very high	53 Å²	53	58 Å²	58	21%	0.208	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.7	-177.4	-59	-92	0	0	0	108.7	L120 L128 R132 L135 V144	L120-Y146 HydrophobicContact CB-CD1 4.32Å; L120-Y146 HydrophobicContact CD2-CD1 3.9Å; L120-Y146 HydrophobicContact CD2-CE1 3.86Å; L120-Y146 HydrophobicContact CG-CD1 4.4Å; L120-Y146 WeakPolarHBondContact O-CA 3.29Å; L128-Y146 HydrophobicContact CD1-CD1 4.03Å; R132-Y146 HydrophobicContact CB-CD1 3.85Å; R132-Y146 HydrophobicContact CB-CE1 3.52Å; R132-Y146 HydrophobicContact CB-CG 4.47Å; R132-Y146 HydrophobicContact CG-CD1 4.25Å; R132-Y146 HydrophobicContact CG-CD2 4.3Å; R132-Y146 HydrophobicContact CG-CE1 3.86Å; R132-Y146 HydrophobicContact CG-CE2 3.94Å; R132-Y146 HydrophobicContact CG-CG 4.46Å; L135-Y146 HydrophobicContact CD1-CE1 3.83Å; V144-Y146 HydrophobicContact CB-CE2 4.49Å; V144-Y146 HydrophobicContact CG1-CE1 4.15Å; V144-Y146 HydrophobicContact CG1-CE2 4.08Å
147	V	97.7	Very high	95.9	Very high	32 Å²	32	55.2 Å²	55.2	19%	0.194	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124	-175.7	-178	0	0	0	0	109.5	V119 L120 A121 D122 A149 P155 F156	V119-V147 HydrophobicContact CG1-CB 4.15Å; V119-V147 HydrophobicContact CG1-CG2 3.69Å; L120-V147 PolarHBondContact O-N 3.48Å; A121-V147 WeakPolarHBondContact CA-O 3.43Å; D122-V147 PolarHBondContact N-O 3.33Å; V147-A149 HydrophobicContact CG1-CB 4.17Å; V147-A149 PolarHBondContact O-N 3.41Å; V147-P155 HydrophobicContact CG1-CG 4.13Å; V147-F156 HydrophobicContact CB-CZ 4.13Å; V147-F156 HydrophobicContact CG1-CE1 4.32Å; V147-F156 HydrophobicContact CG1-CZ 3.92Å; V147-F156 HydrophobicContact CG2-CE1 4.17Å; V147-F156 HydrophobicContact CG2-CZ 4.13Å
148	Q	96.5	Very high	96	Very high	114 Å²	114	54.5 Å²	54.5	53%	0.533	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118	167	-168.3	177.9	3.4	0	0	108.6	D122 I123 L128	D122-Q148 CarbonylContact O-C 3.58Å; D122-Q148 WeakPolarHBondContact O-CA 3.46Å; D122-Q148 WeakPolarHBondContact O-CG 3.29Å; I123-Q148 PolarHBondContact O-NE2 3.02Å; L128-Q148 HydrophobicContact CD2-CB 4.29Å
149	A	95.9	Very high	96.2	Very high	8 Å²	8	54.2 Å²	54.2	7%	0.066	33%	0.331	C	S	.	.			trans	-146.8	141	-173.7	0	0	0	0	0	112.7	A121 D122 I123 V147 L154 P155	A121-A149 HydrophobicContact CB-CB 4.35Å; D122-A149 CarbonylContact C-O 3.54Å; D122-A149 PolarHBondContact O-N 2.89Å; I123-A149 WeakPolarHBondContact CA-O 3.26Å; I123-A149 PolarHBondContact N-O 2.94Å; V147-A149 HydrophobicContact CG1-CB 4.17Å; V147-A149 PolarHBondContact O-N 3.41Å; A149-L154 HydrophobicContact CB-CD2 4.42Å; A149-P155 HydrophobicContact CB-CG 4.04Å
150	N	95.7	Very high	96.4	Very high	63 Å²	63	53.6 Å²	53.6	34%	0.337	32%	0.317	S	S	.	.			trans	-83.9	124.9	166.5	-176.1	-11.8	0	0	0	109.2	I123 E152 A153 L154	I123-N150 HydrophobicContact CD1-CB 4.14Å; N150-E152 PolarHBondContact O-N 2.8Å; N150-E152 VanDerWaalsContact O-N 3.15Å; N150-E152 WeakPolarHBondContact OD1-CB 3.49Å; N150-E152 PolarHBondContact OD1-N 2.87Å; N150-A153 CarbonylContact O-C 3.21Å; N150-A153 PolarHBondContact O-N 2.89Å; N150-L154 PolarHBondContact O-N 3.23Å
151	A	97.5	Very high	96.6	Very high	9 Å²	9	53.4 Å²	53.4	7%	0.074	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.6	-29.6	177.4	0	0	0	0	0	113.5	L97 A153 V173 A179 S182 M183	L97-A151 HydrophobicContact CD1-CB 4.37Å; L97-A151 HydrophobicContact CD2-CB 3.8Å; L97-A151 HydrophobicContact CG-CB 4.34Å; A151-A153 VanDerWaalsContact C-N 3.26Å; A151-A153 PolarHBondContact O-N 3.13Å; A151-V173 HydrophobicContact CB-CG2 4.1Å; A151-A179 HydrophobicContact CB-CB 4.07Å; A151-A179 WeakPolarHBondContact O-CA 3.35Å; A151-S182 VanDerWaalsContact O-CB 3.31Å; A151-S182 WeakPolarHBondContact O-CB 3.47Å; A151-M183 HydrophobicContact CB-CE 4.33Å
152	E	97.6	Very high	97.3	Very high	29 Å²	29	48.9 Å²	48.9	14%	0.136	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-72.9	-16.5	178.7	-61.9	179.2	-163.9	0	0	113.7	N150 V173 T174 D175 K178 A179	N150-E152 PolarHBondContact O-N 2.8Å; N150-E152 VanDerWaalsContact O-N 3.15Å; N150-E152 WeakPolarHBondContact OD1-CB 3.49Å; N150-E152 PolarHBondContact OD1-N 2.87Å; E152-V173 HydrophobicContact CG-CG1 3.65Å; E152-V173 WeakPolarHBondContact OE1-CG1 3.4Å; E152-T174 VanDerWaalsContact OE1-CB 3.29Å; E152-T174 WeakPolarHBondContact OE1-CB 3.43Å; E152-T174 PolarHBondContact OE1-N 3.42Å; E152-D175 HydrophobicContact CG-CB 4.47Å; E152-D175 PolarHBondContact OE1-N 3.31Å; E152-K178 HydrophobicContact CB-CD 3.98Å; E152-K178 HydrophobicContact CB-CG 4.07Å; E152-K178 WeakPolarHBondContact O-CE 3.47Å; E152-K178 WeakPolarHBondContact O-CG 3.49Å; E152-A179 HydrophobicContact CG-CB 4.23Å
153	A	97.1	Very high	97.8	Very high	61 Å²	61	44.8 Å²	44.8	50%	0.504	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-150.8	69.5	-177.9	0	0	0	0	0	110	N150 A151	N150-A153 CarbonylContact O-C 3.21Å; N150-A153 PolarHBondContact O-N 2.89Å; A151-A153 VanDerWaalsContact C-N 3.26Å; A151-A153 PolarHBondContact O-N 3.13Å
154	L	98.4	Very high	97.9	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	25%	0.245	C	C	.	.			trans	-63.8	126.2	-176.1	-68.9	172.9	0	0	0	111.2	L95 L97 A149 N150 F156 S182 M183 R185 V186	L95-L154 HydrophobicContact CD2-CD1 4.02Å; L95-L154 HydrophobicContact CD2-CD2 4.39Å; L97-L154 HydrophobicContact CD1-CD2 3.75Å; L97-L154 HydrophobicContact CD2-CD1 4.41Å; L97-L154 HydrophobicContact CD2-CD2 4.12Å; A149-L154 HydrophobicContact CB-CD2 4.42Å; N150-L154 PolarHBondContact O-N 3.23Å; L154-F156 HydrophobicContact CB-CD2 4.01Å; L154-F156 HydrophobicContact CD2-CE2 4.4Å; L154-F156 PolarHBondContact O-N 3.28Å; L154-S182 WeakPolarHBondContact CB-OG 3.42Å; L154-S182 WeakPolarHBondContact CG-OG 3.48Å; L154-S182 PolarHBondContact N-OG 2.99Å; L154-M183 HydrophobicContact CD1-CG 4.08Å; L154-R185 PolarHBondContact O-NH2 3.33Å; L154-V186 HydrophobicContact CB-CG1 4.04Å; L154-V186 HydrophobicContact CD1-CG1 4.46Å; L154-V186 HydrophobicContact CD1-CG2 3.61Å
155	P	97.8	Very high	97.9	Very high	81 Å²	81	42.9 Å²	42.9	53%	0.526	24%	0.24	S	C	.	.			trans	-82.4	40.7	-173.4	36.5	-38.7	0	0	0	112.4	V147 A149	V147-P155 HydrophobicContact CG1-CG 4.13Å; A149-P155 HydrophobicContact CB-CG 4.04Å
156	F	98.5	Very high	98	Very high	30 Å²	30	38.9 Å²	38.9	13%	0.132	22%	0.221	C	C	.	.	S	Bend	trans	-119.8	149.7	-179.7	-51.9	-67	0	0	0	110.6	L95 V119 V147 L154 F161 R185 V186	L95-F156 HydrophobicContact CD1-CE2 3.85Å; L95-F156 HydrophobicContact CD1-CZ 4.22Å; L95-F156 HydrophobicContact CD2-CD2 4.44Å; L95-F156 HydrophobicContact CD2-CE2 4.2Å; V119-F156 HydrophobicContact CG1-CE1 4.17Å; V119-F156 HydrophobicContact CG1-CZ 3.75Å; V147-F156 HydrophobicContact CB-CZ 4.13Å; V147-F156 HydrophobicContact CG1-CE1 4.32Å; V147-F156 HydrophobicContact CG1-CZ 3.92Å; V147-F156 HydrophobicContact CG2-CE1 4.17Å; V147-F156 HydrophobicContact CG2-CZ 4.13Å; L154-F156 HydrophobicContact CB-CD2 4.01Å; L154-F156 HydrophobicContact CD2-CE2 4.4Å; L154-F156 PolarHBondContact O-N 3.28Å; F156-F161 HydrophobicContact CB-CE2 3.8Å; F156-F161 HydrophobicContact CB-CZ 4.38Å; F156-F161 HydrophobicContact CD1-CE2 4.2Å; F156-F161 AromaticContact CD1-CZ 3.94Å; F156-F161 HydrophobicContact CD1-CZ 3.94Å; F156-F161 AromaticContact CD2-CE2 3.48Å; F156-F161 HydrophobicContact CD2-CE2 3.48Å; F156-F161 VanDerWaalsContact CD2-CE2 3.48Å; F156-F161 AromaticContact CD2-CZ 3.75Å; F156-F161 HydrophobicContact CD2-CZ 3.75Å; F156-F161 HydrophobicContact CE1-CZ 4.13Å; F156-F161 HydrophobicContact CE2-CE2 4.1Å; F156-F161 AromaticContact CE2-CZ 3.97Å; F156-F161 HydrophobicContact CE2-CZ 3.97Å; F156-F161 AromaticContact CG-CE2 3.55Å; F156-F161 HydrophobicContact CG-CE2 3.55Å; F156-F161 AromaticContact CG-CZ 3.75Å; F156-F161 HydrophobicContact CG-CZ 3.75Å; F156-F161 HydrophobicContact CZ-CZ 4.16Å; F156-R185 PolarHBondContact O-NH1 2.93Å; F156-R185 PolarHBondContact O-NH2 3.27Å; F156-V186 HydrophobicContact CB-CB 4.34Å; F156-V186 HydrophobicContact CB-CG1 3.97Å
157	P	98.3	Very high	97.9	Very high	92 Å²	92	37 Å²	37	60%	0.597	22%	0.216	S	C	*	.			trans	-58.9	159.9	169.9	-22	33.7	0	0	0	112.4	T160	P157-T160 PolarHBondContact O-OG1 3.39Å
158	D	98.6	Very high	97.8	Very high	94 Å²	94	36.3 Å²	36.3	50%	0.503	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	147.9	172.5	-64.6	13.5	0	0	0	110.2	T160 R185	D158-T160 PolarHBondContact O-N 3.45Å; D158-R185 WeakPolarHBondContact CA-O 3.39Å; D158-R185 HydrophobicContact CB-CG 4.38Å; D158-R185 VanDerWaalsContact CG-CG 3.45Å; D158-R185 WeakPolarHBondContact OD1-CD 3.39Å; D158-R185 WeakPolarHBondContact OD1-CG 3.26Å; D158-R185 IonicContact OD1-CZ 3.7Å; D158-R185 IonicContact OD1-NE 3.86Å; D158-R185 IonicContact OD1-NH1 2.77Å; D158-R185 PolarHBondContact OD1-NH1 3.43Å
159	N	98.6	Very high	97.8	Very high	73 Å²	73	31.2 Å²	31.2	39%	0.39	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	43.9	174.7	-50.7	-41.1	0	0	0	114.4	R185 L187 K188 P189 K277	N159-R185 PolarHBondContact N-O 3.28Å; N159-R185 VanDerWaalsContact N-O 3.1Å; N159-L187 PolarHBondContact OD1-O 2.76Å; N159-L187 VanDerWaalsContact OD1-O 3.06Å; N159-K188 VanDerWaalsContact C-CG 3.4Å; N159-K188 HydrophobicContact CB-CG 4.21Å; N159-K188 WeakPolarHBondContact O-CG 3.25Å; N159-P189 WeakPolarHBondContact OD1-CD 3.41Å; N159-K277 PolarHBondContact OD1-NZ 3.1Å
160	T	98.6	Very high	97.9	Very high	39 Å²	39	30.8 Å²	30.8	24%	0.239	19%	0.185	C	C	.	.			trans	-90.9	-43.7	-179.5	-63.7	0	0	0	0	112.7	P157 D158 V186 K188	P157-T160 PolarHBondContact O-OG1 3.39Å; D158-T160 PolarHBondContact O-N 3.45Å; T160-V186 PolarHBondContact N-O 2.88Å; T160-K188 WeakPolarHBondContact O-CE 3.32Å; T160-K188 PolarHBondContact O-NZ 2.87Å
161	F	98.9	Very high	97.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.8	-167.9	-60.2	-81.4	0	0	0	112.8	T93 L95 V119 F156 I164 V186 L187 K188	T93-F161 HydrophobicContact CG2-CD1 3.74Å; T93-F161 HydrophobicContact CG2-CE1 3.99Å; L95-F161 HydrophobicContact CB-CD1 3.55Å; L95-F161 HydrophobicContact CB-CD2 4.13Å; L95-F161 HydrophobicContact CB-CE1 3.68Å; L95-F161 HydrophobicContact CB-CE2 4.23Å; L95-F161 HydrophobicContact CB-CG 3.79Å; L95-F161 HydrophobicContact CB-CZ 4.02Å; L95-F161 HydrophobicContact CD1-CE1 4.28Å; L95-F161 HydrophobicContact CD1-CZ 4.08Å; L95-F161 HydrophobicContact CD2-CD2 4.24Å; L95-F161 HydrophobicContact CD2-CE2 4.03Å; L95-F161 HydrophobicContact CD2-CZ 4.33Å; L95-F161 HydrophobicContact CG-CE1 4.46Å; L95-F161 HydrophobicContact CG-CZ 4.37Å; V119-F161 HydrophobicContact CB-CE1 4Å; V119-F161 HydrophobicContact CB-CZ 4.39Å; V119-F161 HydrophobicContact CG2-CE1 3.72Å; V119-F161 HydrophobicContact CG2-CZ 4.17Å; F156-F161 HydrophobicContact CB-CE2 3.8Å; F156-F161 HydrophobicContact CB-CZ 4.38Å; F156-F161 HydrophobicContact CD1-CE2 4.2Å; F156-F161 AromaticContact CD1-CZ 3.94Å; F156-F161 HydrophobicContact CD1-CZ 3.94Å; F156-F161 AromaticContact CD2-CE2 3.48Å; F156-F161 HydrophobicContact CD2-CE2 3.48Å; F156-F161 VanDerWaalsContact CD2-CE2 3.48Å; F156-F161 AromaticContact CD2-CZ 3.75Å; F156-F161 HydrophobicContact CD2-CZ 3.75Å; F156-F161 HydrophobicContact CE1-CZ 4.13Å; F156-F161 HydrophobicContact CE2-CE2 4.1Å; F156-F161 AromaticContact CE2-CZ 3.97Å; F156-F161 HydrophobicContact CE2-CZ 3.97Å; F156-F161 AromaticContact CG-CE2 3.55Å; F156-F161 HydrophobicContact CG-CE2 3.55Å; F156-F161 AromaticContact CG-CZ 3.75Å; F156-F161 HydrophobicContact CG-CZ 3.75Å; F156-F161 HydrophobicContact CZ-CZ 4.16Å; F161-I164 HydrophobicContact CB-CG1 4.04Å; F161-V186 HydrophobicContact CD2-CB 4.05Å; F161-V186 HydrophobicContact CD2-CG2 3.85Å; F161-V186 HydrophobicContact CE2-CB 4.28Å; F161-V186 HydrophobicContact CE2-CG2 4.18Å; F161-V186 PolarHBondContact N-O 2.64Å; F161-L187 WeakPolarHBondContact O-CD1 3.34Å; F161-K188 WeakPolarHBondContact O-CB 3.31Å; F161-K188 PolarHBondContact O-N 2.8Å
162	D	98.8	Very high	97.8	Very high	30 Å²	30	28.6 Å²	28.6	16%	0.16	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-26.7	172.9	-55.9	-77.9	0	0	0	111.4	Q92 T93 K188 G191 R192	Q92-D162 HydrophobicContact CB-CB 4.03Å; Q92-D162 HydrophobicContact CG-CB 4.18Å; T93-D162 PolarHBondContact N-OD2 2.65Å; T93-D162 PolarHBondContact O-N 2.98Å; D162-K188 VanDerWaalsContact OD1-CD 3.23Å; D162-K188 WeakPolarHBondContact OD1-CD 3.25Å; D162-K188 IonicContact OD1-NZ 2.78Å; D162-K188 PolarHBondContact OD1-NZ 3.16Å; D162-K188 VanDerWaalsContact OD1-NZ 3.17Å; D162-K188 IonicContact OD2-NZ 2.73Å; D162-K188 PolarHBondContact OD2-NZ 3.05Å; D162-K188 VanDerWaalsContact OD2-NZ 3.09Å; D162-G191 WeakPolarHBondContact O-CA 3.43Å; D162-R192 PolarHBondContact O-N 3.45Å
163	C	98.9	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	137.7	178.2	-172	0	0	0	0	110.2	V88 T93 V94 L95 R192 L194	V88-C163 HydrophobicContact CG2-CB 3.67Å; T93-C163 PolarHBondContact O-N 3.01Å; V94-C163 CarbonylContact C-O 3.58Å; V94-C163 WeakPolarHBondContact CA-O 3.4Å; V94-C163 HydrophobicContact CG1-CB 4.38Å; V94-C163 HydrophobicContact CG2-CB 4.23Å; L95-C163 PolarHBondContact N-O 3.37Å; C163-R192 WeakPolarHBondContact CA-O 3.37Å; C163-L194 WeakPolarHBondContact SG-CD1 3.26Å
164	I	98.9	Very high	97.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.5	169.9	-58.1	169.8	0	0	0	107.8	L95 F161 M183 V186 L187 R192 L193 L194	L95-I164 HydrophobicContact CB-CB 4.47Å; L95-I164 HydrophobicContact CB-CG1 4.05Å; L95-I164 HydrophobicContact CB-CG2 4.3Å; L95-I164 HydrophobicContact CD2-CD1 4.47Å; L95-I164 HydrophobicContact CD2-CG1 4.27Å; L95-I164 HydrophobicContact CD2-CG2 4.11Å; L95-I164 HydrophobicContact CG-CG2 4.33Å; L95-I164 CarbonylContact O-C 3.52Å; L95-I164 WeakPolarHBondContact O-CA 3.32Å; F161-I164 HydrophobicContact CB-CG1 4.04Å; I164-M183 HydrophobicContact CD1-CB 4.06Å; I164-M183 WeakPolarHBondContact CD1-O 3.28Å; I164-M183 HydrophobicContact CG2-CG 4.39Å; I164-M183 HydrophobicContact CG2-SD 4.44Å; I164-V186 HydrophobicContact CD1-CG2 3.73Å; I164-L187 HydrophobicContact CD1-CB 3.9Å; I164-L187 HydrophobicContact CD1-CD1 3.91Å; I164-L187 HydrophobicContact CD1-CG 4.45Å; I164-L187 HydrophobicContact CG1-CD1 3.79Å; I164-R192 PolarHBondContact N-O 3.03Å; I164-L193 HydrophobicContact CB-CD1 3.85Å; I164-L193 HydrophobicContact CG2-CD1 3.67Å; I164-L193 CarbonylContact O-C 3.53Å; I164-L193 WeakPolarHBondContact O-CA 3.39Å; I164-L194 PolarHBondContact O-N 2.73Å
165	T	98.7	Very high	97.4	Very high	1 Å²	1	28 Å²	28	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.1	168.4	57.9	0	0	0	0	110.3	L95 D96 L97 F108 L194	L95-T165 PolarHBondContact O-N 3.31Å; D96-T165 PolarHBondContact OD1-OG1 3.43Å; D96-T165 VanDerWaalsContact OD1-OG1 3.06Å; L97-T165 WeakPolarHBondContact CB-O 3.42Å; L97-T165 PolarHBondContact N-O 3.12Å; F108-T165 HydrophobicContact CE2-CG2 3.51Å; F108-T165 HydrophobicContact CZ-CG2 3.45Å; F108-T165 VanDerWaalsContact CZ-CG2 3.45Å; T165-L194 WeakPolarHBondContact CA-O 3.3Å; T165-L194 HydrophobicContact CG2-CB 4.17Å; T165-L194 HydrophobicContact CG2-CD1 4.17Å
166	I	98.6	Very high	97.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	117.1	165.1	-177.5	165	0	0	0	108.3	L97 A98 L170 M183 L193 L194 V195 L196	L97-I166 HydrophobicContact CB-CB 4.39Å; L97-I166 HydrophobicContact CD2-CD1 4.25Å; L97-I166 HydrophobicContact CG-CD1 4.28Å; L97-I166 WeakPolarHBondContact O-CA 3.49Å; A98-I166 HydrophobicContact CB-CD1 4.4Å; A98-I166 HydrophobicContact CB-CG1 4.21Å; I166-L170 HydrophobicContact CD1-CB 3.96Å; I166-L170 HydrophobicContact CD1-CD1 4.42Å; I166-L170 HydrophobicContact CG1-CB 4.4Å; I166-L170 HydrophobicContact CG2-CB 4.5Å; I166-M183 HydrophobicContact CD1-CE 3.9Å; I166-M183 HydrophobicContact CG2-CE 4.42Å; I166-M183 HydrophobicContact CG2-SD 4.29Å; I166-L193 HydrophobicContact CG2-CD1 4.43Å; I166-L194 PolarHBondContact N-O 3.14Å; I166-V195 HydrophobicContact CG2-CB 4.12Å; I166-V195 HydrophobicContact CG2-CG1 4.03Å; I166-V195 HydrophobicContact CG2-CG2 3.77Å; I166-L196 PolarHBondContact O-N 3.24Å
167	S	97.3	Very high	97.4	Very high	13 Å²	13	26.8 Å²	26.8	9%	0.091	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115	-173.8	-178.5	0	0	0	0	110.5	G169 L196	S167-G169 PolarHBondContact O-N 3.49Å; S167-G169 VanDerWaalsContact O-N 3.17Å; S167-L196 CarbonylContact C-O 3.36Å; S167-L196 WeakPolarHBondContact CA-O 3.44Å; S167-L196 WeakPolarHBondContact OG-CD2 3.44Å
168	F	95.7	Very high	97.3	Very high	17 Å²	17	26.8 Å²	26.8	8%	0.075	14%	0.142	C	C	.	.	S	Bend	trans	58.6	21.9	-177.8	-51.6	-71.5	0	0	0	115.2	W78 R171 N172 L196 E197 F198 V270	W78-F168 AromaticContact CE3-CZ 3.75Å; W78-F168 HydrophobicContact CE3-CZ 3.75Å; W78-F168 HydrophobicContact CZ3-CZ 4.16Å; F168-R171 PolarHBondContact O-NH2 3.44Å; F168-N172 PolarHBondContact O-ND2 3.49Å; F168-L196 HydrophobicContact CE2-CD2 3.79Å; F168-L196 HydrophobicContact CE2-CG 4.28Å; F168-L196 HydrophobicContact CZ-CD2 4.01Å; F168-L196 HydrophobicContact CZ-CG 4.12Å; F168-L196 PolarHBondContact N-O 3.37Å; F168-E197 VanDerWaalsContact CA-OE1 3.3Å; F168-E197 WeakPolarHBondContact CA-OE1 3.5Å; F168-E197 VanDerWaalsContact CA-OE2 3.28Å; F168-E197 WeakPolarHBondContact CA-OE2 3.49Å; F168-E197 WeakPolarHBondContact CD1-OE1 3.39Å; F168-F198 AromaticContact CD1-CD2 3.77Å; F168-F198 HydrophobicContact CD1-CD2 3.77Å; F168-F198 AromaticContact CD1-CE2 3.65Å; F168-F198 HydrophobicContact CD1-CE2 3.65Å; F168-F198 HydrophobicContact CD1-CG 4.34Å; F168-F198 HydrophobicContact CD1-CZ 4.15Å; F168-F198 HydrophobicContact CE1-CD1 4.31Å; F168-F198 HydrophobicContact CE1-CD2 4.07Å; F168-F198 HydrophobicContact CE1-CE1 4.17Å; F168-F198 AromaticContact CE1-CE2 3.93Å; F168-F198 HydrophobicContact CE1-CE2 3.93Å; F168-F198 HydrophobicContact CE1-CG 4.24Å; F168-F198 AromaticContact CE1-CZ 3.98Å; F168-F198 HydrophobicContact CE1-CZ 3.98Å; F168-V270 HydrophobicContact CE1-CG1 4.25Å; F168-V270 HydrophobicContact CE1-CG2 3.96Å; F168-V270 HydrophobicContact CZ-CG1 4.2Å; F168-V270 HydrophobicContact CZ-CG2 4.22Å
169	G	95.9	Very high	97.3	Very high	7 Å²	7	22.3 Å²	22.3	7%	0.072	12%	0.118	C	C	.	.			trans	-108.6	-37.1	-177.3	0	0	0	0	0	114.7	S167 R171 N172 E197	S167-G169 PolarHBondContact O-N 3.49Å; S167-G169 VanDerWaalsContact O-N 3.17Å; G169-R171 VanDerWaalsContact C-N 3.27Å; G169-R171 PolarHBondContact O-N 2.68Å; G169-N172 PolarHBondContact O-N 2.91Å; G169-N172 PolarHBondContact O-ND2 2.93Å; G169-E197 PolarHBondContact N-OE2 2.83Å
170	L	97.6	Very high	97.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-64.1	-33.5	-169	-175.2	63	0	0	0	112	I166 N172 V173 K176 A179 L180 M183 V195 E197 L248	I166-L170 HydrophobicContact CD1-CB 3.96Å; I166-L170 HydrophobicContact CD1-CD1 4.42Å; I166-L170 HydrophobicContact CG1-CB 4.4Å; I166-L170 HydrophobicContact CG2-CB 4.5Å; L170-N172 PolarHBondContact O-N 3.39Å; L170-V173 HydrophobicContact CD1-CG2 4.31Å; L170-V173 WeakPolarHBondContact O-CB 3.4Å; L170-V173 PolarHBondContact O-N 3.3Å; L170-K176 HydrophobicContact CD1-CB 4.5Å; L170-K176 HydrophobicContact CD1-CG 4.26Å; L170-K176 HydrophobicContact CG-CG 4.39Å; L170-K176 VanDerWaalsContact O-CE 3.27Å; L170-K176 WeakPolarHBondContact O-CE 3.4Å; L170-A179 HydrophobicContact CD1-CB 4.49Å; L170-L180 HydrophobicContact CD2-CD2 4.27Å; L170-M183 HydrophobicContact CD1-CE 4.2Å; L170-V195 HydrophobicContact CB-CG1 4.14Å; L170-V195 HydrophobicContact CD2-CG1 3.63Å; L170-V195 HydrophobicContact CD2-CG2 4.34Å; L170-E197 PolarHBondContact N-OE2 3.45Å; L170-L248 HydrophobicContact CD2-CD1 3.66Å; L170-L248 HydrophobicContact CD2-CD2 4.39Å
171	R	96.2	Very high	97.4	Very high	11 Å²	11	22.9 Å²	22.9	4%	0.042	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-49.8	-41.7	172.9	162.8	172.2	63.7	-95.2	-9.9	113.3	F168 G169 V173 K176 E197 S238 H242	F168-R171 PolarHBondContact O-NH2 3.44Å; G169-R171 VanDerWaalsContact C-N 3.27Å; G169-R171 PolarHBondContact O-N 2.68Å; R171-V173 VanDerWaalsContact C-N 3.31Å; R171-K176 PolarHBondContact O-NZ 3.08Å; R171-E197 HydrophobicContact CB-CG 4.4Å; R171-E197 IonicContact CZ-OE1 3.99Å; R171-E197 VanDerWaalsContact CZ-OE1 3.32Å; R171-E197 PolarHBondContact N-OE2 2.65Å; R171-E197 IonicContact NH1-OE1 3.07Å; R171-E197 PolarHBondContact NH1-OE1 3.27Å; R171-E197 IonicContact NH1-OE2 3.03Å; R171-E197 IonicContact NH2-OE1 3.42Å; R171-E197 PolarHBondContact NH2-OE1 2.64Å; R171-S238 VanDerWaalsContact CD-CB 3.47Å; R171-S238 VanDerWaalsContact CD-O 3.25Å; R171-S238 WeakPolarHBondContact CD-O 3.39Å; R171-S238 WeakPolarHBondContact CD-OG 3.29Å; R171-S238 PolarHBondContact NE-OG 2.72Å; R171-H242 WeakPolarHBondContact CA-ND1 3.43Å
172	N	95.1	Very high	97.4	Very high	15 Å²	15	23.2 Å²	23.2	8%	0.08	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-83.6	-11.8	-171.1	-44.6	-63.5	0	0	0	112.3	K48 V52 F56 F168 G169 L170 Y234	K48-N172 WeakPolarHBondContact CE-O 3.5Å; V52-N172 HydrophobicContact CG1-CB 3.74Å; V52-N172 HydrophobicContact CG2-CB 4.33Å; F56-N172 HydrophobicContact CE2-CB 4.13Å; F56-N172 WeakPolarHBondContact CZ-ND2 3.46Å; F168-N172 PolarHBondContact O-ND2 3.49Å; G169-N172 PolarHBondContact O-N 2.91Å; G169-N172 PolarHBondContact O-ND2 2.93Å; L170-N172 PolarHBondContact O-N 3.39Å; N172-Y234 PolarHBondContact OD1-OH 2.91Å
173	V	95.5	Very high	97.4	Very high	17 Å²	17	21.8 Å²	21.8	10%	0.103	11%	0.105	C	C	.	.			trans	-68.2	138.4	175.5	-175.2	0	0	0	0	110.7	K48 A151 E152 L170 R171 K176 A179	K48-V173 PolarHBondContact NZ-O 2.84Å; A151-V173 HydrophobicContact CB-CG2 4.1Å; E152-V173 HydrophobicContact CG-CG1 3.65Å; E152-V173 WeakPolarHBondContact OE1-CG1 3.4Å; L170-V173 HydrophobicContact CD1-CG2 4.31Å; L170-V173 WeakPolarHBondContact O-CB 3.4Å; L170-V173 PolarHBondContact O-N 3.3Å; R171-V173 VanDerWaalsContact C-N 3.31Å; V173-K176 PolarHBondContact O-NZ 2.64Å; V173-A179 HydrophobicContact CG1-CB 3.72Å
174	T	93.6	Very high	97.4	Very high	22 Å²	22	24.6 Å²	24.6	14%	0.135	12%	0.116	C	C	.	.	S	Bend	trans	-71.4	-58	-176.9	-62.8	0	0	0	0	110.9	T36 K45 K48 E152	T36-T174 HydrophobicContact CG2-CG2 3.95Å; K45-T174 HydrophobicContact CB-CG2 4.03Å; K45-T174 HydrophobicContact CD-CG2 4.37Å; K45-T174 HydrophobicContact CG-CG2 3.89Å; K48-T174 HydrophobicContact CD-CG2 4.16Å; K48-T174 VanDerWaalsContact CD-OG1 3.3Å; K48-T174 WeakPolarHBondContact CD-OG1 3.2Å; K48-T174 WeakPolarHBondContact CG-OG1 3.38Å; E152-T174 VanDerWaalsContact OE1-CB 3.29Å; E152-T174 WeakPolarHBondContact OE1-CB 3.43Å; E152-T174 PolarHBondContact OE1-N 3.42Å
175	D	95.3	Very high	97.4	Very high	42 Å²	42	28.3 Å²	28.3	23%	0.225	13%	0.13	C	C	.	.			trans	-106.7	94.5	175.8	-171.6	-26.8	0	0	0	109.9	E152 D177 K178 A179	E152-D175 HydrophobicContact CG-CB 4.47Å; E152-D175 PolarHBondContact OE1-N 3.31Å; D175-D177 PolarHBondContact OD1-N 3.07Å; D175-K178 HydrophobicContact CB-CB 3.88Å; D175-K178 PolarHBondContact O-N 3.26Å; D175-K178 VanDerWaalsContact OD1-CB 3.31Å; D175-K178 WeakPolarHBondContact OD1-CB 3.41Å; D175-K178 PolarHBondContact OD1-N 3.09Å; D175-A179 PolarHBondContact O-N 2.63Å
176	K	97.7	Very high	97.4	Very high	27 Å²	27	28.3 Å²	28.3	12%	0.117	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-37.7	-177.4	-71.2	173.9	177.1	56.7	0	111.7	L170 R171 V173 A179 L180 H242 P243 M251	L170-K176 HydrophobicContact CD1-CB 4.5Å; L170-K176 HydrophobicContact CD1-CG 4.26Å; L170-K176 HydrophobicContact CG-CG 4.39Å; L170-K176 VanDerWaalsContact O-CE 3.27Å; L170-K176 WeakPolarHBondContact O-CE 3.4Å; R171-K176 PolarHBondContact O-NZ 3.08Å; V173-K176 PolarHBondContact O-NZ 2.64Å; K176-A179 PolarHBondContact O-N 3.08Å; K176-L180 WeakPolarHBondContact O-CB 3.48Å; K176-L180 VanDerWaalsContact O-CG 3.29Å; K176-L180 WeakPolarHBondContact O-CG 3.22Å; K176-L180 PolarHBondContact O-N 2.92Å; K176-H242 WeakPolarHBondContact CE-ND1 3.31Å; K176-P243 HydrophobicContact CD-CG 4.4Å; K176-M251 HydrophobicContact CB-CE 3.64Å; K176-M251 HydrophobicContact CD-CE 4.39Å
177	D	97.9	Very high	97.4	Very high	59 Å²	59	28.2 Å²	28.2	32%	0.316	13%	0.129	S	C	.	.	H	α-helix	trans	-64.3	-43.6	179	-62.1	-69.2	0	0	0	111.1	D175 A179 L180 R181 M251	D175-D177 PolarHBondContact OD1-N 3.07Å; D177-A179 VanDerWaalsContact C-N 3.33Å; D177-A179 PolarHBondContact O-N 2.84Å; D177-L180 PolarHBondContact O-N 3.36Å; D177-R181 WeakPolarHBondContact O-CB 3.5Å; D177-R181 WeakPolarHBondContact O-CG 3.23Å; D177-R181 PolarHBondContact O-N 3.47Å; D177-M251 WeakPolarHBondContact OD1-CE 3.43Å
178	K	98.1	Very high	97.4	Very high	92 Å²	92	30.4 Å²	30.4	40%	0.4	14%	0.137	S	C	.	.	H	α-helix	trans	-63.4	-40	175	-172.6	177.3	174.9	-172.4	0	111.8	E152 D175 R181 S182	E152-K178 HydrophobicContact CB-CD 3.98Å; E152-K178 HydrophobicContact CB-CG 4.07Å; E152-K178 WeakPolarHBondContact O-CE 3.47Å; E152-K178 WeakPolarHBondContact O-CG 3.49Å; D175-K178 HydrophobicContact CB-CB 3.88Å; D175-K178 PolarHBondContact O-N 3.26Å; D175-K178 VanDerWaalsContact OD1-CB 3.31Å; D175-K178 WeakPolarHBondContact OD1-CB 3.41Å; D175-K178 PolarHBondContact OD1-N 3.09Å; K178-R181 PolarHBondContact O-N 3.17Å; K178-S182 WeakPolarHBondContact O-CB 3.33Å; K178-S182 PolarHBondContact O-N 2.92Å
179	A	98.6	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-44.8	175.5	0	0	0	0	0	113	A151 E152 L170 V173 D175 K176 D177 R181 S182 M183	A151-A179 HydrophobicContact CB-CB 4.07Å; A151-A179 WeakPolarHBondContact O-CA 3.35Å; E152-A179 HydrophobicContact CG-CB 4.23Å; L170-A179 HydrophobicContact CD1-CB 4.49Å; V173-A179 HydrophobicContact CG1-CB 3.72Å; D175-A179 PolarHBondContact O-N 2.63Å; K176-A179 PolarHBondContact O-N 3.08Å; D177-A179 VanDerWaalsContact C-N 3.33Å; D177-A179 PolarHBondContact O-N 2.84Å; A179-R181 PolarHBondContact O-N 3.42Å; A179-S182 PolarHBondContact O-N 3.47Å; A179-M183 HydrophobicContact CB-CE 4.03Å; A179-M183 VanDerWaalsContact O-CG 3.3Å; A179-M183 WeakPolarHBondContact O-CG 3.33Å; A179-M183 PolarHBondContact O-N 3.39Å
180	L	98.9	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-43.7	175.8	-70	172.2	0	0	0	111.4	L170 K176 D177 S182 M183 Y184 L193 L248 M251 M252 A255	L170-L180 HydrophobicContact CD2-CD2 4.27Å; K176-L180 WeakPolarHBondContact O-CB 3.48Å; K176-L180 VanDerWaalsContact O-CG 3.29Å; K176-L180 WeakPolarHBondContact O-CG 3.22Å; K176-L180 PolarHBondContact O-N 2.92Å; D177-L180 PolarHBondContact O-N 3.36Å; L180-S182 PolarHBondContact O-N 2.93Å; L180-M183 PolarHBondContact O-N 3.2Å; L180-Y184 PolarHBondContact O-N 3.46Å; L180-L193 HydrophobicContact CD2-CD2 3.87Å; L180-L248 HydrophobicContact CD1-CD1 4.41Å; L180-M251 HydrophobicContact CD1-CB 3.82Å; L180-M252 HydrophobicContact CD1-CG 4.22Å; L180-M252 HydrophobicContact CD2-CG 3.98Å; L180-A255 HydrophobicContact CB-CB 3.61Å
181	R	98.8	Very high	97.7	Very high	124 Å²	124	35.4 Å²	35.4	47%	0.468	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-41.1	173.5	-74.5	-172.7	-66.1	-90.1	-1.5	112.5	D177 K178 A179 Y184 R185 A255	D177-R181 WeakPolarHBondContact O-CB 3.5Å; D177-R181 WeakPolarHBondContact O-CG 3.23Å; D177-R181 PolarHBondContact O-N 3.47Å; K178-R181 PolarHBondContact O-N 3.17Å; A179-R181 PolarHBondContact O-N 3.42Å; R181-Y184 PolarHBondContact O-N 2.83Å; R181-R185 WeakPolarHBondContact O-CB 2.93Å; R181-R185 PolarHBondContact O-N 2.83Å; R181-A255 HydrophobicContact CG-CB 4.05Å
182	S	98.8	Very high	97.8	Very high	8 Å²	8	36.3 Å²	36.3	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-39.5	176.4	-175.4	0	0	0	0	111.7	A151 L154 K178 A179 L180 R185 V186	A151-S182 VanDerWaalsContact O-CB 3.31Å; A151-S182 WeakPolarHBondContact O-CB 3.47Å; L154-S182 WeakPolarHBondContact CB-OG 3.42Å; L154-S182 WeakPolarHBondContact CG-OG 3.48Å; L154-S182 PolarHBondContact N-OG 2.99Å; K178-S182 WeakPolarHBondContact O-CB 3.33Å; K178-S182 PolarHBondContact O-N 2.92Å; A179-S182 PolarHBondContact O-N 3.47Å; L180-S182 PolarHBondContact O-N 2.93Å; S182-R185 PolarHBondContact O-N 3.32Å; S182-V186 PolarHBondContact O-N 2.57Å
183	M	98.9	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-44.6	173.5	-67.6	176.5	-142.7	0	0	111.3	L97 A151 L154 I164 I166 L170 A179 L180 R185 V186 L187 L193 F257	L97-M183 HydrophobicContact CD2-CE 3.55Å; L97-M183 HydrophobicContact CD2-CG 4.02Å; L97-M183 HydrophobicContact CD2-SD 4.04Å; A151-M183 HydrophobicContact CB-CE 4.33Å; L154-M183 HydrophobicContact CD1-CG 4.08Å; I164-M183 HydrophobicContact CD1-CB 4.06Å; I164-M183 WeakPolarHBondContact CD1-O 3.28Å; I164-M183 HydrophobicContact CG2-CG 4.39Å; I164-M183 HydrophobicContact CG2-SD 4.44Å; I166-M183 HydrophobicContact CD1-CE 3.9Å; I166-M183 HydrophobicContact CG2-CE 4.42Å; I166-M183 HydrophobicContact CG2-SD 4.29Å; L170-M183 HydrophobicContact CD1-CE 4.2Å; A179-M183 HydrophobicContact CB-CE 4.03Å; A179-M183 VanDerWaalsContact O-CG 3.3Å; A179-M183 WeakPolarHBondContact O-CG 3.33Å; A179-M183 PolarHBondContact O-N 3.39Å; L180-M183 PolarHBondContact O-N 3.2Å; M183-R185 VanDerWaalsContact C-N 3.33Å; M183-R185 PolarHBondContact O-N 3.38Å; M183-V186 PolarHBondContact O-N 3.5Å; M183-L187 WeakPolarHBondContact O-CB 3.37Å; M183-L187 PolarHBondContact O-N 2.95Å; M183-L187 VanDerWaalsContact O-N 3.11Å; M183-L193 HydrophobicContact CB-CD1 4.49Å; M183-L193 HydrophobicContact CB-CD2 4.27Å; M183-L193 HydrophobicContact SD-CD1 3.62Å; M183-L193 HydrophobicContact SD-CD2 3.91Å; M183-L193 HydrophobicContact SD-CG 4.46Å; M183-F257 HydrophobicContact CB-CZ 4.32Å
184	Y	98.9	Very high	98.2	Very high	60 Å²	60	34.8 Å²	34.8	24%	0.235	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-42.7	176.6	-178.5	-93.8	0	0	0	112.3	L180 R181 V186 L187 G256 F257 K277	L180-Y184 PolarHBondContact O-N 3.46Å; R181-Y184 PolarHBondContact O-N 2.83Å; Y184-V186 PolarHBondContact O-N 2.95Å; Y184-L187 PolarHBondContact O-N 3.07Å; Y184-G256 WeakPolarHBondContact CE2-O 3.4Å; Y184-F257 AromaticContact CD2-CD1 3.97Å; Y184-F257 HydrophobicContact CD2-CD1 3.97Å; Y184-F257 HydrophobicContact CD2-CD2 4.27Å; Y184-F257 AromaticContact CD2-CE1 3.97Å; Y184-F257 HydrophobicContact CD2-CE1 3.97Å; Y184-F257 HydrophobicContact CD2-CE2 4.27Å; Y184-F257 HydrophobicContact CD2-CG 4.12Å; Y184-F257 HydrophobicContact CD2-CZ 4.12Å; Y184-F257 HydrophobicContact CG-CZ 4.44Å; Y184-K277 HydrophobicContact CD2-CB 4.32Å; Y184-K277 HydrophobicContact CD2-CD 4.33Å; Y184-K277 HydrophobicContact CD2-CG 4.32Å; Y184-K277 HydrophobicContact CE1-CD 4.38Å; Y184-K277 HydrophobicContact CE2-CB 3.87Å; Y184-K277 HydrophobicContact CE2-CD 3.99Å; Y184-K277 HydrophobicContact CE2-CG 3.62Å; Y184-K277 PolarHBondContact O-NZ 3.36Å
185	R	98.7	Very high	98.4	Very high	78 Å²	78	33.8 Å²	33.8	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-58.4	-49.5	178.9	-177.9	-177.8	62.7	76	2	112.2	L154 F156 D158 N159 R181 S182 M183 L187	L154-R185 PolarHBondContact O-NH2 3.33Å; F156-R185 PolarHBondContact O-NH1 2.93Å; F156-R185 PolarHBondContact O-NH2 3.27Å; D158-R185 WeakPolarHBondContact CA-O 3.39Å; D158-R185 HydrophobicContact CB-CG 4.38Å; D158-R185 VanDerWaalsContact CG-CG 3.45Å; D158-R185 WeakPolarHBondContact OD1-CD 3.39Å; D158-R185 WeakPolarHBondContact OD1-CG 3.26Å; D158-R185 IonicContact OD1-CZ 3.7Å; D158-R185 IonicContact OD1-NE 3.86Å; D158-R185 IonicContact OD1-NH1 2.77Å; D158-R185 PolarHBondContact OD1-NH1 3.43Å; N159-R185 PolarHBondContact N-O 3.28Å; N159-R185 VanDerWaalsContact N-O 3.1Å; R181-R185 WeakPolarHBondContact O-CB 2.93Å; R181-R185 PolarHBondContact O-N 2.83Å; S182-R185 PolarHBondContact O-N 3.32Å; M183-R185 VanDerWaalsContact C-N 3.33Å; M183-R185 PolarHBondContact O-N 3.38Å; R185-L187 VanDerWaalsContact C-N 3.34Å
186	V	98.8	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-81.9	-11.3	-175.7	-54.1	0	0	0	0	113.6	L95 L154 F156 T160 F161 I164 S182 M183 Y184	L95-V186 HydrophobicContact CD2-CG2 4.49Å; L154-V186 HydrophobicContact CB-CG1 4.04Å; L154-V186 HydrophobicContact CD1-CG1 4.46Å; L154-V186 HydrophobicContact CD1-CG2 3.61Å; F156-V186 HydrophobicContact CB-CB 4.34Å; F156-V186 HydrophobicContact CB-CG1 3.97Å; T160-V186 PolarHBondContact N-O 2.88Å; F161-V186 HydrophobicContact CD2-CB 4.05Å; F161-V186 HydrophobicContact CD2-CG2 3.85Å; F161-V186 HydrophobicContact CE2-CB 4.28Å; F161-V186 HydrophobicContact CE2-CG2 4.18Å; F161-V186 PolarHBondContact N-O 2.64Å; I164-V186 HydrophobicContact CD1-CG2 3.73Å; S182-V186 PolarHBondContact O-N 2.57Å; M183-V186 PolarHBondContact O-N 3.5Å; Y184-V186 PolarHBondContact O-N 2.95Å
187	L	98.8	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.1	173.9	-167.7	70.2	0	0	0	110.4	N159 F161 I164 M183 Y184 R185 R192 F257 K277	N159-L187 PolarHBondContact OD1-O 2.76Å; N159-L187 VanDerWaalsContact OD1-O 3.06Å; F161-L187 WeakPolarHBondContact O-CD1 3.34Å; I164-L187 HydrophobicContact CD1-CB 3.9Å; I164-L187 HydrophobicContact CD1-CD1 3.91Å; I164-L187 HydrophobicContact CD1-CG 4.45Å; I164-L187 HydrophobicContact CG1-CD1 3.79Å; M183-L187 WeakPolarHBondContact O-CB 3.37Å; M183-L187 PolarHBondContact O-N 2.95Å; M183-L187 VanDerWaalsContact O-N 3.11Å; Y184-L187 PolarHBondContact O-N 3.07Å; R185-L187 VanDerWaalsContact C-N 3.34Å; L187-R192 WeakPolarHBondContact CD1-O 3.47Å; L187-F257 HydrophobicContact CD2-CD1 4.49Å; L187-F257 HydrophobicContact CD2-CE1 3.71Å; L187-K277 HydrophobicContact CB-CD 4.32Å; L187-K277 HydrophobicContact CD2-CB 3.89Å; L187-K277 HydrophobicContact CG-CB 4.44Å; L187-K277 WeakPolarHBondContact O-CD 3.43Å; L187-K277 WeakPolarHBondContact O-CE 3.29Å; L187-K277 PolarHBondContact O-NZ 3.01Å
188	K	98.7	Very high	98.4	Very high	60 Å²	60	29.5 Å²	29.5	26%	0.261	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	152.3	173.3	-74.4	167.1	173.2	162.1	0	111.7	N159 T160 F161 D162 G190 G191	N159-K188 VanDerWaalsContact C-CG 3.4Å; N159-K188 HydrophobicContact CB-CG 4.21Å; N159-K188 WeakPolarHBondContact O-CG 3.25Å; T160-K188 WeakPolarHBondContact O-CE 3.32Å; T160-K188 PolarHBondContact O-NZ 2.87Å; F161-K188 WeakPolarHBondContact O-CB 3.31Å; F161-K188 PolarHBondContact O-N 2.8Å; D162-K188 VanDerWaalsContact OD1-CD 3.23Å; D162-K188 WeakPolarHBondContact OD1-CD 3.25Å; D162-K188 IonicContact OD1-NZ 2.78Å; D162-K188 PolarHBondContact OD1-NZ 3.16Å; D162-K188 VanDerWaalsContact OD1-NZ 3.17Å; D162-K188 IonicContact OD2-NZ 2.73Å; D162-K188 PolarHBondContact OD2-NZ 3.05Å; D162-K188 VanDerWaalsContact OD2-NZ 3.09Å; K188-G190 PolarHBondContact O-N 3.36Å; K188-G191 WeakPolarHBondContact O-CA 3.26Å; K188-G191 PolarHBondContact O-N 3.49Å
189	P	98.5	Very high	98.2	Very high	75 Å²	75	25.5 Å²	25.5	49%	0.487	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	136.4	160.6	-22.4	34.6	0	0	0	110.6	N159 G191	N159-P189 WeakPolarHBondContact OD1-CD 3.41Å; P189-G191 PolarHBondContact O-N 3.35Å
190	G	97.7	Very high	97.8	Very high	51 Å²	51	30.4 Å²	30.4	53%	0.526	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78	-4.6	-169.3	0	0	0	0	0	115.1	K188 K277	K188-G190 PolarHBondContact O-N 3.36Å; G190-K277 WeakPolarHBondContact CA-O 3.41Å; G190-K277 PolarHBondContact N-O 3.46Å
191	G	98.4	Very high	97.3	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	169.6	176.3	0	0	0	0	0	113	D162 K188 P189 Y276 K277	D162-G191 WeakPolarHBondContact O-CA 3.43Å; K188-G191 WeakPolarHBondContact O-CA 3.26Å; K188-G191 PolarHBondContact O-N 3.49Å; P189-G191 PolarHBondContact O-N 3.35Å; G191-Y276 WeakPolarHBondContact O-CA 3.41Å; G191-K277 PolarHBondContact O-N 3.14Å
192	R	98.5	Very high	96.8	Very high	30 Å²	30	30.5 Å²	30.5	11%	0.113	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150	172.2	62.1	-100.7	164.4	-166.6	-6.5	114.3	S86 G87 V88 D162 C163 I164 L187 L194 R274 G275 Y276	S86-R192 PolarHBondContact O-NE 3.41Å; S86-R192 PolarHBondContact O-NH2 3.09Å; G87-R192 PolarHBondContact O-NH2 3.47Å; V88-R192 VanDerWaalsContact CA-NH2 3.29Å; D162-R192 PolarHBondContact O-N 3.45Å; C163-R192 WeakPolarHBondContact CA-O 3.37Å; I164-R192 PolarHBondContact N-O 3.03Å; L187-R192 WeakPolarHBondContact CD1-O 3.47Å; R192-L194 HydrophobicContact CG-CD1 3.82Å; R192-R274 HydrophobicContact CB-CG 4.5Å; R192-G275 CarbonylContact C-O 3.55Å; R192-G275 VanDerWaalsContact CA-O 3.24Å; R192-G275 WeakPolarHBondContact CA-O 3.36Å; R192-G275 WeakPolarHBondContact CB-O 3.49Å; R192-Y276 HydrophobicContact CB-CD1 3.78Å; R192-Y276 HydrophobicContact CB-CE1 3.83Å; R192-Y276 HydrophobicContact CB-CG 4.33Å; R192-Y276 HydrophobicContact CG-CE1 4.4Å
193	L	98.9	Very high	96	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.9	165.6	172.3	62.6	0	0	0	109.1	I164 I166 L180 M183 V195 M252 F257 R274 G275	I164-L193 HydrophobicContact CB-CD1 3.85Å; I164-L193 HydrophobicContact CG2-CD1 3.67Å; I164-L193 CarbonylContact O-C 3.53Å; I164-L193 WeakPolarHBondContact O-CA 3.39Å; I166-L193 HydrophobicContact CG2-CD1 4.43Å; L180-L193 HydrophobicContact CD2-CD2 3.87Å; M183-L193 HydrophobicContact CB-CD1 4.49Å; M183-L193 HydrophobicContact CB-CD2 4.27Å; M183-L193 HydrophobicContact SD-CD1 3.62Å; M183-L193 HydrophobicContact SD-CD2 3.91Å; M183-L193 HydrophobicContact SD-CG 4.46Å; L193-V195 HydrophobicContact CD1-CG2 4.26Å; L193-V195 HydrophobicContact CD2-CG2 3.98Å; L193-V195 HydrophobicContact CG-CG2 3.95Å; L193-M252 HydrophobicContact CD2-CE 4.1Å; L193-M252 HydrophobicContact CG-CE 4.32Å; L193-F257 HydrophobicContact CB-CD1 4.16Å; L193-F257 HydrophobicContact CB-CE1 3.45Å; L193-F257 VanDerWaalsContact CB-CE1 3.45Å; L193-F257 HydrophobicContact CB-CZ 3.69Å; L193-F257 HydrophobicContact CD2-CD2 4.33Å; L193-F257 HydrophobicContact CD2-CE1 4.01Å; L193-F257 HydrophobicContact CD2-CE2 3.56Å; L193-F257 HydrophobicContact CD2-CZ 3.37Å; L193-F257 HydrophobicContact CG-CE1 4.38Å; L193-F257 HydrophobicContact CG-CZ 4.15Å; L193-R274 WeakPolarHBondContact O-CA 3.39Å; L193-G275 PolarHBondContact N-O 2.93Å; L193-G275 PolarHBondContact O-N 2.82Å
194	L	98.9	Very high	95.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.6	169.1	-63	98.3	0	0	0	110	T82 C85 C163 I164 T165 I166 R192 L272 H273 R274	T82-L194 HydrophobicContact CG2-CB 4.45Å; T82-L194 HydrophobicContact CG2-CD2 4.29Å; C85-L194 HydrophobicContact CB-CD2 4.08Å; C163-L194 WeakPolarHBondContact SG-CD1 3.26Å; I164-L194 PolarHBondContact O-N 2.73Å; T165-L194 WeakPolarHBondContact CA-O 3.3Å; T165-L194 HydrophobicContact CG2-CB 4.17Å; T165-L194 HydrophobicContact CG2-CD1 4.17Å; I166-L194 PolarHBondContact N-O 3.14Å; R192-L194 HydrophobicContact CG-CD1 3.82Å; L194-L272 HydrophobicContact CB-CD1 4.07Å; L194-L272 HydrophobicContact CD2-CD1 4.21Å; L194-L272 HydrophobicContact CD2-CD2 4.27Å; L194-H273 CarbonylContact C-O 3.56Å; L194-H273 WeakPolarHBondContact CA-O 3.44Å; L194-R274 HydrophobicContact CG-CG 4.3Å
195	V	98.8	Very high	94.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	106.4	175.1	-177	0	0	0	0	107.8	I166 L170 L193 E197 L248 M252 L272 H273	I166-V195 HydrophobicContact CG2-CB 4.12Å; I166-V195 HydrophobicContact CG2-CG1 4.03Å; I166-V195 HydrophobicContact CG2-CG2 3.77Å; L170-V195 HydrophobicContact CB-CG1 4.14Å; L170-V195 HydrophobicContact CD2-CG1 3.63Å; L170-V195 HydrophobicContact CD2-CG2 4.34Å; L193-V195 HydrophobicContact CD1-CG2 4.26Å; L193-V195 HydrophobicContact CD2-CG2 3.98Å; L193-V195 HydrophobicContact CG-CG2 3.95Å; V195-E197 HydrophobicContact CG1-CB 4.22Å; V195-L248 HydrophobicContact CG1-CD2 3.98Å; V195-M252 HydrophobicContact CG2-SD 4.19Å; V195-L272 WeakPolarHBondContact O-CA 3.5Å; V195-H273 HydrophobicContact CB-CB 4.27Å; V195-H273 PolarHBondContact N-O 2.96Å; V195-H273 PolarHBondContact O-N 3.41Å
196	L	98.5	Very high	93.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.4	172.8	-177.6	70.8	0	0	0	108.5	W78 K79 T82 I166 S167 F168 L265 V270 L272	W78-L196 HydrophobicContact CB-CD1 4.34Å; W78-L196 HydrophobicContact CB-CD2 4.11Å; K79-L196 HydrophobicContact CG-CD2 4.39Å; T82-L196 WeakPolarHBondContact OG1-CD2 3.34Å; I166-L196 PolarHBondContact O-N 3.24Å; S167-L196 CarbonylContact C-O 3.36Å; S167-L196 WeakPolarHBondContact CA-O 3.44Å; S167-L196 WeakPolarHBondContact OG-CD2 3.44Å; F168-L196 HydrophobicContact CE2-CD2 3.79Å; F168-L196 HydrophobicContact CE2-CG 4.28Å; F168-L196 HydrophobicContact CZ-CD2 4.01Å; F168-L196 HydrophobicContact CZ-CG 4.12Å; F168-L196 PolarHBondContact N-O 3.37Å; L196-L265 HydrophobicContact CD1-CD1 3.78Å; L196-V270 HydrophobicContact CD1-CG1 3.51Å; L196-V270 HydrophobicContact CG-CG1 4.08Å; L196-L272 HydrophobicContact CB-CD1 3.99Å; L196-L272 HydrophobicContact CD1-CB 4.01Å; L196-L272 HydrophobicContact CD1-CD1 4.16Å
197	E	97.7	Very high	92.9	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.2	-174.1	-160.5	50.3	-78.6	0	0	113.7	F168 G169 L170 R171 V195 H242 V270 A271	F168-E197 VanDerWaalsContact CA-OE1 3.3Å; F168-E197 WeakPolarHBondContact CA-OE1 3.5Å; F168-E197 VanDerWaalsContact CA-OE2 3.28Å; F168-E197 WeakPolarHBondContact CA-OE2 3.49Å; F168-E197 WeakPolarHBondContact CD1-OE1 3.39Å; G169-E197 PolarHBondContact N-OE2 2.83Å; L170-E197 PolarHBondContact N-OE2 3.45Å; R171-E197 HydrophobicContact CB-CG 4.4Å; R171-E197 IonicContact CZ-OE1 3.99Å; R171-E197 VanDerWaalsContact CZ-OE1 3.32Å; R171-E197 PolarHBondContact N-OE2 2.65Å; R171-E197 IonicContact NH1-OE1 3.07Å; R171-E197 PolarHBondContact NH1-OE1 3.27Å; R171-E197 IonicContact NH1-OE2 3.03Å; R171-E197 IonicContact NH2-OE1 3.42Å; R171-E197 PolarHBondContact NH2-OE1 2.64Å; V195-E197 HydrophobicContact CG1-CB 4.22Å; E197-H242 WeakPolarHBondContact CG-NE2 3.29Å; E197-V270 CarbonylContact O-C 3.58Å; E197-V270 WeakPolarHBondContact O-CA 3.48Å; E197-V270 WeakPolarHBondContact O-CG1 3.42Å; E197-A271 PolarHBondContact N-O 2.86Å; E197-A271 PolarHBondContact O-N 3.41Å
198	F	95	Very high	92.3	Very high	35 Å²	35	48.1 Å²	48.1	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138.7	167.8	-69.5	-66.3	0	0	0	110.2	W78 F168 L235 I239 H242 V269 V270	W78-F198 HydrophobicContact CH2-CE1 4.49Å; W78-F198 HydrophobicContact CZ3-CE1 4.34Å; F168-F198 AromaticContact CD1-CD2 3.77Å; F168-F198 HydrophobicContact CD1-CD2 3.77Å; F168-F198 AromaticContact CD1-CE2 3.65Å; F168-F198 HydrophobicContact CD1-CE2 3.65Å; F168-F198 HydrophobicContact CD1-CG 4.34Å; F168-F198 HydrophobicContact CD1-CZ 4.15Å; F168-F198 HydrophobicContact CE1-CD1 4.31Å; F168-F198 HydrophobicContact CE1-CD2 4.07Å; F168-F198 HydrophobicContact CE1-CE1 4.17Å; F168-F198 AromaticContact CE1-CE2 3.93Å; F168-F198 HydrophobicContact CE1-CE2 3.93Å; F168-F198 HydrophobicContact CE1-CG 4.24Å; F168-F198 AromaticContact CE1-CZ 3.98Å; F168-F198 HydrophobicContact CE1-CZ 3.98Å; F198-L235 HydrophobicContact CE2-CD1 4.18Å; F198-I239 HydrophobicContact CB-CB 4.41Å; F198-I239 HydrophobicContact CB-CD1 4.15Å; F198-I239 HydrophobicContact CB-CG1 3.77Å; F198-I239 HydrophobicContact CB-CG2 3.88Å; F198-I239 HydrophobicContact CD1-CD1 4.3Å; F198-I239 HydrophobicContact CD2-CD1 3.54Å; F198-I239 HydrophobicContact CD2-CG1 3.69Å; F198-I239 HydrophobicContact CE2-CD1 3.97Å; F198-I239 HydrophobicContact CG-CD1 3.75Å; F198-I239 HydrophobicContact CG-CG1 3.88Å; F198-H242 PolarHBondContact O-CD2 3.45Å; F198-V269 WeakPolarHBondContact CA-O 3.5Å; F198-V269 HydrophobicContact CD1-CG1 4.33Å; F198-V270 HydrophobicContact CD1-CG2 3.58Å; F198-V270 HydrophobicContact CE1-CG2 3.82Å; F198-V270 HydrophobicContact CG-CG2 4.46Å
199	S	93.8	Very high	91.6	Very high	8 Å²	8	47.9 Å²	47.9	6%	0.056	27%	0.268	C	S	.	.			trans	-136.3	-159.1	179.1	-153	0	0	0	0	110.4	Q245 G268 V269	S199-Q245 WeakPolarHBondContact OG-CG 3.36Å; S199-Q245 PolarHBondContact OG-N 3.23Å; S199-Q245 PolarHBondContact OG-OE1 3.12Å; S199-G268 CarbonylContact C-O 3.18Å; S199-V269 PolarHBondContact N-O 3.26Å
200	K	90.7	Very high	90.9	Very high	102 Å²	102	45.7 Å²	45.7	44%	0.443	25%	0.25	S	C	.	.			trans	-97.8	125.9	179.5	-60.9	-174.8	-169.3	158.2	0	110.6	I202 D244 Q245 G268	K200-I202 PolarHBondContact O-N 3.02Å; K200-D244 HydrophobicContact CB-CB 4.46Å; K200-D244 HydrophobicContact CD-CB 3.68Å; K200-D244 HydrophobicContact CG-CB 3.95Å; K200-D244 IonicContact NZ-OD2 2.76Å; K200-D244 PolarHBondContact NZ-OD2 2.95Å; K200-Q245 PolarHBondContact O-NE2 3.21Å; K200-G268 CarbonylContact C-O 3.56Å; K200-G268 PolarHBondContact N-O 2.82Å; K200-G268 CarbonylContact O-C 3.56Å; K200-G268 VanDerWaalsContact O-O 3.06Å
201	P	88.5	Confident	90.3	Very high	17 Å²	17	44.9 Å²	44.9	11%	0.11	23%	0.234	C	C	.	.			trans	-54.5	134.8	172.4	-26.4	35.7	0	0	0	111.6	I203 L206 Y210 A267 V269	P201-I203 VanDerWaalsContact C-N 3.3Å; P201-I203 PolarHBondContact O-N 3.32Å; P201-L206 HydrophobicContact CB-CB 4.41Å; P201-L206 HydrophobicContact CB-CD2 4.23Å; P201-L206 HydrophobicContact CB-CG 4.14Å; P201-Y210 HydrophobicContact CG-CD1 4.14Å; P201-Y210 HydrophobicContact CG-CG 4.31Å; P201-A267 CarbonylContact C-O 3.4Å; P201-A267 VanDerWaalsContact CA-O 3.29Å; P201-A267 WeakPolarHBondContact CA-O 3.2Å; P201-V269 HydrophobicContact CG-CG2 3.92Å
202	I	86.7	Confident	89.6	Confident	110 Å²	110	47.1 Å²	47.1	56%	0.564	25%	0.252	S	S	*	.	S	Bend	trans	-84.7	-6.2	-177.8	64.5	174.4	0	0	0	113	K200 A267	K200-I202 PolarHBondContact O-N 3.02Å; I202-A267 PolarHBondContact N-O 2.93Å
203	I	83.8	Confident	89	Confident	88 Å²	88	48.3 Å²	48.3	45%	0.451	26%	0.257	S	S	.	.	S	Bend	trans	-113.1	118.3	-179.9	-58.1	177	0	0	0	108.4	P201 P205 L206 S207 A267	P201-I203 VanDerWaalsContact C-N 3.3Å; P201-I203 PolarHBondContact O-N 3.32Å; I203-P205 HydrophobicContact CG2-CG 4.34Å; I203-L206 HydrophobicContact CB-CB 4.13Å; I203-L206 HydrophobicContact CG2-CB 4.44Å; I203-L206 CarbonylContact O-C 3.6Å; I203-L206 WeakPolarHBondContact O-CA 3.14Å; I203-L206 WeakPolarHBondContact O-CB 3.41Å; I203-L206 PolarHBondContact O-N 3.27Å; I203-S207 PolarHBondContact O-N 2.67Å; I203-A267 HydrophobicContact CD1-CB 3.95Å; I203-A267 HydrophobicContact CG1-CB 4.4Å
204	E	83.3	Confident	88.3	Confident	119 Å²	119	48.4 Å²	48.4	56%	0.556	26%	0.258	S	S	*	.	H	α-helix	trans	-56.7	-46.4	-173.2	-177.8	64.2	-160.1	0	0	114.1	L206 S207 K208	E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.47Å; E204-S207 WeakPolarHBondContact O-CB 3.18Å; E204-S207 PolarHBondContact O-N 2.86Å; E204-S207 VanDerWaalsContact O-N 3.13Å; E204-K208 PolarHBondContact O-N 3.32Å; E204-K208 VanDerWaalsContact O-N 3.1Å; E204-K208 VanDerWaalsContact OE1-CE 3.29Å; E204-K208 WeakPolarHBondContact OE1-CE 3.25Å
205	P	82	Confident	87.5	Confident	98 Å²	98	51.7 Å²	51.7	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-54.4	-39.9	171.1	-28.4	31.7	0	0	0	114.3	I203 K208 A209	I203-P205 HydrophobicContact CG2-CG 4.34Å; P205-K208 PolarHBondContact O-N 3.45Å; P205-A209 PolarHBondContact O-N 2.78Å; P205-A209 VanDerWaalsContact O-N 3.1Å
206	L	81.3	Confident	86.7	Confident	56 Å²	56	56.9 Å²	56.9	29%	0.293	30%	0.296	S	S	.	.	H	α-helix	trans	-70.7	-36.4	178.5	-177.9	62.8	0	0	0	111	P201 I203 E204 A209 Y210 A267 V269	P201-L206 HydrophobicContact CB-CB 4.41Å; P201-L206 HydrophobicContact CB-CD2 4.23Å; P201-L206 HydrophobicContact CB-CG 4.14Å; I203-L206 HydrophobicContact CB-CB 4.13Å; I203-L206 HydrophobicContact CG2-CB 4.44Å; I203-L206 CarbonylContact O-C 3.6Å; I203-L206 WeakPolarHBondContact O-CA 3.14Å; I203-L206 WeakPolarHBondContact O-CB 3.41Å; I203-L206 PolarHBondContact O-N 3.27Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 3.47Å; L206-A209 PolarHBondContact O-N 3.43Å; L206-Y210 WeakPolarHBondContact O-CB 3.36Å; L206-Y210 PolarHBondContact O-N 3.09Å; L206-A267 HydrophobicContact CD2-CB 3.56Å; L206-V269 HydrophobicContact CD2-CG2 4.18Å
207	S	83.2	Confident	85.9	Confident	20 Å²	20	59.5 Å²	59.5	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-52.1	173.2	-168	0	0	0	0	110.5	I203 E204 A209 Y210 D211	I203-S207 PolarHBondContact O-N 2.67Å; E204-S207 WeakPolarHBondContact O-CB 3.18Å; E204-S207 PolarHBondContact O-N 2.86Å; E204-S207 VanDerWaalsContact O-N 3.13Å; S207-A209 VanDerWaalsContact C-N 3.35Å; S207-A209 PolarHBondContact O-N 2.83Å; S207-Y210 PolarHBondContact O-N 2.92Å; S207-D211 VanDerWaalsContact O-CB 3.29Å; S207-D211 WeakPolarHBondContact O-CB 3.38Å; S207-D211 PolarHBondContact O-N 3.36Å
208	K	85.3	Confident	85.3	Confident	134 Å²	134	59.6 Å²	59.6	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-61.7	-40.5	179.3	-67.4	-178.7	-177.2	175.8	0	113.1	E204 P205 D211 A212	E204-K208 PolarHBondContact O-N 3.32Å; E204-K208 VanDerWaalsContact O-N 3.1Å; E204-K208 VanDerWaalsContact OE1-CE 3.29Å; E204-K208 WeakPolarHBondContact OE1-CE 3.25Å; P205-K208 PolarHBondContact O-N 3.45Å; K208-D211 PolarHBondContact O-N 2.92Å; K208-A212 PolarHBondContact O-N 3.39Å
209	A	84.4	Confident	84.6	Confident	56 Å²	56	58.6 Å²	58.6	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-44.1	177	0	0	0	0	0	111.9	P205 L206 S207 D211 A212 Y213	P205-A209 PolarHBondContact O-N 2.78Å; P205-A209 VanDerWaalsContact O-N 3.1Å; L206-A209 PolarHBondContact O-N 3.43Å; S207-A209 VanDerWaalsContact C-N 3.35Å; S207-A209 PolarHBondContact O-N 2.83Å; A209-D211 VanDerWaalsContact C-N 3.29Å; A209-D211 PolarHBondContact O-N 3.01Å; A209-A212 PolarHBondContact O-N 3.24Å; A209-Y213 WeakPolarHBondContact O-CB 3.34Å; A209-Y213 PolarHBondContact O-N 3.31Å
210	Y	84.5	Confident	84.1	Confident	28 Å²	28	65.5 Å²	65.5	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-37.1	176.9	-176.9	-109.3	0	0	0	111.9	P201 L206 S207 Y213 S214 I239 V269	P201-Y210 HydrophobicContact CG-CD1 4.14Å; P201-Y210 HydrophobicContact CG-CG 4.31Å; L206-Y210 WeakPolarHBondContact O-CB 3.36Å; L206-Y210 PolarHBondContact O-N 3.09Å; S207-Y210 PolarHBondContact O-N 2.92Å; Y210-Y213 PolarHBondContact O-N 3.27Å; Y210-S214 VanDerWaalsContact O-CB 3.24Å; Y210-S214 WeakPolarHBondContact O-CB 3.36Å; Y210-S214 PolarHBondContact O-N 3.46Å; Y210-S214 PolarHBondContact O-OG 2.88Å; Y210-I239 HydrophobicContact CE1-CG2 4.32Å; Y210-V269 HydrophobicContact CD2-CG1 4.05Å; Y210-V269 HydrophobicContact CD2-CG2 4.24Å; Y210-V269 HydrophobicContact CE2-CG1 3.54Å
211	D	83.5	Confident	83.7	Confident	35 Å²	35	62.1 Å²	62.1	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-48.9	177	-68.6	-2.6	0	0	0	111.5	S207 K208 A209 Y213 S214 F215 R240	S207-D211 VanDerWaalsContact O-CB 3.29Å; S207-D211 WeakPolarHBondContact O-CB 3.38Å; S207-D211 PolarHBondContact O-N 3.36Å; K208-D211 PolarHBondContact O-N 2.92Å; A209-D211 VanDerWaalsContact C-N 3.29Å; A209-D211 PolarHBondContact O-N 3.01Å; D211-Y213 VanDerWaalsContact C-N 3.34Å; D211-Y213 PolarHBondContact O-N 3.02Å; D211-S214 PolarHBondContact O-N 2.95Å; D211-F215 WeakPolarHBondContact O-CD2 3.45Å; D211-F215 PolarHBondContact O-N 3.33Å; D211-R240 VanDerWaalsContact CB-NH2 3.28Å; D211-R240 VanDerWaalsContact CG-NH1 3.32Å; D211-R240 IonicContact OD1-CZ 3.32Å; D211-R240 IonicContact OD1-NE 3.77Å; D211-R240 IonicContact OD1-NH1 3.02Å; D211-R240 PolarHBondContact OD1-NH1 2.94Å; D211-R240 IonicContact OD1-NH2 2.57Å; D211-R240 PolarHBondContact OD1-NH2 2.92Å; D211-R240 IonicContact OD2-CZ 3.08Å; D211-R240 VanDerWaalsContact OD2-CZ 3.23Å; D211-R240 IonicContact OD2-NH1 2.78Å; D211-R240 PolarHBondContact OD2-NH1 3.45Å; D211-R240 IonicContact OD2-NH2 3.27Å; D211-R240 PolarHBondContact OD2-NH2 3.26Å
212	A	84.8	Confident	83.3	Confident	49 Å²	49	61.3 Å²	61.3	41%	0.405	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-43.2	175.7	0	0	0	0	0	111.4	K208 A209 H216	K208-A212 PolarHBondContact O-N 3.39Å; A209-A212 PolarHBondContact O-N 3.24Å; A212-H216 VanDerWaalsContact O-CB 3.24Å; A212-H216 WeakPolarHBondContact O-CB 3.48Å; A212-H216 PolarHBondContact O-CD2 3.11Å; A212-H216 PolarHBondContact O-N 3.18Å; A212-H216 VanDerWaalsContact O-N 3.07Å
213	Y	85.9	Confident	83.2	Confident	54 Å²	54	58.8 Å²	58.8	21%	0.212	31%	0.308	C	S	.	.	I	π-helix	trans	-60.1	-48.6	174.6	177.7	-95	0	0	0	111.5	M70 A209 Y210 D211 F215 V217 L218	M70-Y213 PolarHBondContact O-OH 3.12Å; M70-Y213 VanDerWaalsContact O-OH 3.12Å; A209-Y213 WeakPolarHBondContact O-CB 3.34Å; A209-Y213 PolarHBondContact O-N 3.31Å; Y210-Y213 PolarHBondContact O-N 3.27Å; D211-Y213 VanDerWaalsContact C-N 3.34Å; D211-Y213 PolarHBondContact O-N 3.02Å; Y213-F215 PolarHBondContact O-N 2.8Å; Y213-V217 HydrophobicContact CD2-CB 3.67Å; Y213-V217 HydrophobicContact CD2-CG1 3.82Å; Y213-V217 HydrophobicContact CD2-CG2 3.99Å; Y213-V217 HydrophobicContact CE2-CB 3.91Å; Y213-V217 HydrophobicContact CE2-CG1 3.57Å; Y213-V217 HydrophobicContact CG-CB 4.25Å; Y213-V217 WeakPolarHBondContact O-CA 3.43Å; Y213-V217 VanDerWaalsContact O-CB 3.25Å; Y213-V217 WeakPolarHBondContact O-CB 3.42Å; Y213-V217 PolarHBondContact O-N 3.35Å; Y213-L218 HydrophobicContact CD1-CD1 4.46Å; Y213-L218 HydrophobicContact CD1-CD2 4.31Å; Y213-L218 HydrophobicContact CD1-CG 4.02Å; Y213-L218 HydrophobicContact CE1-CD1 4.2Å; Y213-L218 HydrophobicContact CE1-CD2 3.41Å; Y213-L218 VanDerWaalsContact CE1-CD2 3.41Å; Y213-L218 HydrophobicContact CE1-CG 3.61Å; Y213-L218 PolarHBondContact O-N 3.48Å
214	S	83.1	Confident	83.1	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.021	32%	0.323	C	S	.	.	I	π-helix	trans	-65.2	-40.4	-175.3	-61.4	0	0	0	0	112.8	Y210 D211 P219 A236	Y210-S214 VanDerWaalsContact O-CB 3.24Å; Y210-S214 WeakPolarHBondContact O-CB 3.36Å; Y210-S214 PolarHBondContact O-N 3.46Å; Y210-S214 PolarHBondContact O-OG 2.88Å; D211-S214 PolarHBondContact O-N 2.95Å; S214-P219 WeakPolarHBondContact O-CD 3.47Å; S214-A236 WeakPolarHBondContact O-CB 3.4Å
215	F	82	Confident	83	Confident	70 Å²	70	59 Å²	59	31%	0.307	32%	0.315	S	S	.	.	I	π-helix	trans	-87.8	-23.6	-177.4	-74.2	-61	0	0	0	114.8	F40 D211 Y213 A236 E237 R240	F40-F215 AromaticContact CE2-CE1 3.87Å; F40-F215 HydrophobicContact CE2-CE1 3.87Å; F40-F215 AromaticContact CE2-CZ 3.92Å; F40-F215 HydrophobicContact CE2-CZ 3.92Å; F40-F215 HydrophobicContact CZ-CE1 4.14Å; F40-F215 AromaticContact CZ-CZ 3.79Å; F40-F215 HydrophobicContact CZ-CZ 3.79Å; D211-F215 WeakPolarHBondContact O-CD2 3.45Å; D211-F215 PolarHBondContact O-N 3.33Å; Y213-F215 PolarHBondContact O-N 2.8Å; F215-A236 HydrophobicContact CD1-CB 4.48Å; F215-A236 HydrophobicContact CE1-CB 4.47Å; F215-E237 HydrophobicContact CE1-CG 4.43Å; F215-R240 VanDerWaalsContact CE2-NH2 3.32Å; F215-R240 HydrophobicContact CZ-CG 4.24Å
216	H	83.6	Confident	83	Confident	108 Å²	108	55 Å²	55	50%	0.5	29%	0.29	S	S	.	.	I	π-helix	trans	-113.6	-34.5	-173.4	-61.1	-53	0	0	0	113.3	A212 R220	A212-H216 VanDerWaalsContact O-CB 3.24Å; A212-H216 WeakPolarHBondContact O-CB 3.48Å; A212-H216 PolarHBondContact O-CD2 3.11Å; A212-H216 PolarHBondContact O-N 3.18Å; A212-H216 VanDerWaalsContact O-N 3.07Å; H216-R220 VanDerWaalsContact O-CD 3.28Å; H216-R220 WeakPolarHBondContact O-CD 3.31Å; H216-R220 VanDerWaalsContact O-CG 3.28Å; H216-R220 WeakPolarHBondContact O-CG 3.33Å; H216-R220 PolarHBondContact O-NH1 3.04Å
217	V	81.9	Confident	83.2	Confident	56 Å²	56	59.1 Å²	59.1	34%	0.339	31%	0.312	S	S	.	.	I	π-helix	trans	-93.4	-48.4	-174.9	-175.6	0	0	0	0	110.2	Y213 R220 I221	Y213-V217 HydrophobicContact CD2-CB 3.67Å; Y213-V217 HydrophobicContact CD2-CG1 3.82Å; Y213-V217 HydrophobicContact CD2-CG2 3.99Å; Y213-V217 HydrophobicContact CE2-CB 3.91Å; Y213-V217 HydrophobicContact CE2-CG1 3.57Å; Y213-V217 HydrophobicContact CG-CB 4.25Å; Y213-V217 WeakPolarHBondContact O-CA 3.43Å; Y213-V217 VanDerWaalsContact O-CB 3.25Å; Y213-V217 WeakPolarHBondContact O-CB 3.42Å; Y213-V217 PolarHBondContact O-N 3.35Å; V217-R220 PolarHBondContact O-N 3.15Å; V217-I221 HydrophobicContact CG1-CD1 3.61Å; V217-I221 HydrophobicContact CG1-CG1 4.08Å; V217-I221 WeakPolarHBondContact O-CG1 3.28Å; V217-I221 PolarHBondContact O-N 3.25Å
218	L	83.6	Confident	83.3	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-48.7	-178.3	-69.8	-178	0	0	0	113.9	M70 Y213 R220 I221 G222	M70-L218 HydrophobicContact CB-CD2 4.11Å; M70-L218 HydrophobicContact CG-CD2 3.61Å; M70-L218 HydrophobicContact SD-CD2 3.53Å; M70-L218 VanDerWaalsContact SD-CD2 3.53Å; Y213-L218 HydrophobicContact CD1-CD1 4.46Å; Y213-L218 HydrophobicContact CD1-CD2 4.31Å; Y213-L218 HydrophobicContact CD1-CG 4.02Å; Y213-L218 HydrophobicContact CE1-CD1 4.2Å; Y213-L218 HydrophobicContact CE1-CD2 3.41Å; Y213-L218 VanDerWaalsContact CE1-CD2 3.41Å; Y213-L218 HydrophobicContact CE1-CG 3.61Å; Y213-L218 PolarHBondContact O-N 3.48Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 3.09Å; L218-I221 PolarHBondContact O-N 2.89Å; L218-G222 PolarHBondContact O-N 2.97Å
219	P	80.5	Confident	83.3	Confident	14 Å²	14	54.5 Å²	54.5	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-30.7	-179.6	-22.6	35.9	0	0	0	112.8	S214 S223	S214-P219 WeakPolarHBondContact O-CD 3.47Å; P219-S223 WeakPolarHBondContact O-CB 3.24Å; P219-S223 PolarHBondContact O-N 3.43Å
220	R	84.4	Confident	83.4	Confident	153 Å²	153	57.4 Å²	57.4	58%	0.577	30%	0.304	S	S	*	.	H	α-helix	trans	-71.9	-42.8	176.1	-68.7	-175.4	-175.2	117.6	-5.5	111.5	H216 V217 L218 G222 S223 L224	H216-R220 VanDerWaalsContact O-CD 3.28Å; H216-R220 WeakPolarHBondContact O-CD 3.31Å; H216-R220 VanDerWaalsContact O-CG 3.28Å; H216-R220 WeakPolarHBondContact O-CG 3.33Å; H216-R220 PolarHBondContact O-NH1 3.04Å; V217-R220 PolarHBondContact O-N 3.15Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 3.09Å; R220-G222 VanDerWaalsContact C-N 3.32Å; R220-S223 PolarHBondContact O-N 3.08Å; R220-L224 WeakPolarHBondContact O-CB 3.03Å; R220-L224 VanDerWaalsContact O-CG 3.24Å; R220-L224 WeakPolarHBondContact O-CG 3.37Å; R220-L224 PolarHBondContact O-N 2.93Å
221	I	82.5	Confident	83.6	Confident	31 Å²	31	56.5 Å²	56.5	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-46	172.7	-68.5	177	0	0	0	109.8	M66 L69 V217 L218 S223 L224 V225	M66-I221 HydrophobicContact CE-CG2 3.55Å; L69-I221 HydrophobicContact CD2-CG2 3.51Å; L69-I221 HydrophobicContact CG-CG2 4.26Å; V217-I221 HydrophobicContact CG1-CD1 3.61Å; V217-I221 HydrophobicContact CG1-CG1 4.08Å; V217-I221 WeakPolarHBondContact O-CG1 3.28Å; V217-I221 PolarHBondContact O-N 3.25Å; L218-I221 PolarHBondContact O-N 2.89Å; I221-S223 PolarHBondContact O-N 2.9Å; I221-L224 PolarHBondContact O-N 3.11Å; I221-V225 HydrophobicContact CG2-CG2 4.23Å; I221-V225 WeakPolarHBondContact O-CB 3.24Å; I221-V225 PolarHBondContact O-N 3.27Å
222	G	79.3	Confident	83.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-55.7	-48.6	175.1	0	0	0	0	0	112.5	L218 R220 L224 A226 N227 D228	L218-G222 PolarHBondContact O-N 2.97Å; R220-G222 VanDerWaalsContact C-N 3.32Å; G222-L224 PolarHBondContact O-N 2.77Å; G222-A226 CarbonylContact O-C 3.49Å; G222-A226 VanDerWaalsContact O-CA 3.29Å; G222-A226 WeakPolarHBondContact O-CA 3.49Å; G222-A226 VanDerWaalsContact O-CB 3.28Å; G222-A226 WeakPolarHBondContact O-CB 3.41Å; G222-A226 PolarHBondContact O-N 3.29Å; G222-N227 PolarHBondContact O-N 3.43Å; G222-D228 CarbonylContact C-O 3.59Å; G222-D228 WeakPolarHBondContact CA-O 3.03Å; G222-D228 PolarHBondContact O-N 3.35Å; G222-D228 VanDerWaalsContact O-N 3.09Å
223	S	83.4	Confident	83.9	Confident	58 Å²	58	58.2 Å²	58.2	41%	0.406	30%	0.296	S	S	.	.	I	π-helix	trans	-61.2	-43	176.3	-174.1	0	0	0	0	113.2	P219 R220 I221 N227	P219-S223 WeakPolarHBondContact O-CB 3.24Å; P219-S223 PolarHBondContact O-N 3.43Å; R220-S223 PolarHBondContact O-N 3.08Å; I221-S223 PolarHBondContact O-N 2.9Å; S223-N227 WeakPolarHBondContact O-CA 3.32Å
224	L	83.2	Confident	84.1	Confident	147 Å²	147	56.1 Å²	56.1	77%	0.77	29%	0.288	S	S	*	.	I	π-helix	trans	-81.3	-35.4	-172.5	-68.6	171.9	0	0	0	113.2	R220 I221 G222	R220-L224 WeakPolarHBondContact O-CB 3.03Å; R220-L224 VanDerWaalsContact O-CG 3.24Å; R220-L224 WeakPolarHBondContact O-CG 3.37Å; R220-L224 PolarHBondContact O-N 2.93Å; I221-L224 PolarHBondContact O-N 3.11Å; G222-L224 PolarHBondContact O-N 2.77Å
225	V	81.5	Confident	84.4	Confident	65 Å²	65	57.5 Å²	57.5	39%	0.394	29%	0.294	S	S	.	.	I	π-helix	trans	-105.5	-45.7	-172.3	-174.8	0	0	0	0	111.4	K62 M66 L69 I221	K62-V225 PolarHBondContact NZ-O 3.29Å; M66-V225 HydrophobicContact SD-CB 3.91Å; M66-V225 HydrophobicContact SD-CG1 3.6Å; M66-V225 VanDerWaalsContact SD-CG1 3.6Å; L69-V225 HydrophobicContact CD2-CB 4.41Å; L69-V225 HydrophobicContact CD2-CG1 4.24Å; L69-V225 HydrophobicContact CD2-CG2 3.95Å; I221-V225 HydrophobicContact CG2-CG2 4.23Å; I221-V225 WeakPolarHBondContact O-CB 3.24Å; I221-V225 PolarHBondContact O-N 3.27Å
226	A	81	Confident	84.8	Confident	14 Å²	14	54.3 Å²	54.3	12%	0.116	28%	0.281	C	S	.	.	I	π-helix	trans	-86.1	-21.3	-179.9	0	0	0	0	0	112.6	K62 M66 G222 D228 Y232	K62-A226 HydrophobicContact CD-CB 4.38Å; K62-A226 PolarHBondContact NZ-O 3.09Å; M66-A226 HydrophobicContact SD-CB 4.36Å; G222-A226 CarbonylContact O-C 3.49Å; G222-A226 VanDerWaalsContact O-CA 3.29Å; G222-A226 WeakPolarHBondContact O-CA 3.49Å; G222-A226 VanDerWaalsContact O-CB 3.28Å; G222-A226 WeakPolarHBondContact O-CB 3.41Å; G222-A226 PolarHBondContact O-N 3.29Å; A226-D228 HydrophobicContact CB-CB 4.23Å; A226-Y232 HydrophobicContact CB-CE2 3.56Å
227	N	84.8	Confident	85.2	Confident	141 Å²	141	50.5 Å²	50.5	75%	0.754	26%	0.263	S	S	*	.	S	Bend	trans	56.9	35.9	-164.4	-164.9	44.3	0	0	0	111.9	G222 S223	G222-N227 PolarHBondContact O-N 3.43Å; S223-N227 WeakPolarHBondContact O-CA 3.32Å
228	D	86.2	Confident	85.7	Confident	27 Å²	27	48.1 Å²	48.1	14%	0.144	25%	0.249	C	C	.	.			trans	-145.1	98.8	-178.7	-172.3	-20.4	0	0	0	107.4	S58 G222 A226 D230 S231 Y232	S58-D228 WeakPolarHBondContact CB-OD2 3.43Å; S58-D228 PolarHBondContact OG-OD2 3.48Å; G222-D228 CarbonylContact C-O 3.59Å; G222-D228 WeakPolarHBondContact CA-O 3.03Å; G222-D228 PolarHBondContact O-N 3.35Å; G222-D228 VanDerWaalsContact O-N 3.09Å; A226-D228 HydrophobicContact CB-CB 4.23Å; D228-D230 PolarHBondContact OD1-N 3.33Å; D228-S231 VanDerWaalsContact CG-CB 3.43Å; D228-S231 VanDerWaalsContact OD1-CB 3.25Å; D228-S231 WeakPolarHBondContact OD1-CB 3.35Å; D228-S231 PolarHBondContact OD1-N 3.34Å; D228-S231 PolarHBondContact OD1-OG 2.82Å; D228-S231 VanDerWaalsContact OD1-OG 3.08Å; D228-S231 VanDerWaalsContact OD2-CB 3.26Å; D228-S231 WeakPolarHBondContact OD2-CB 3.31Å; D228-S231 PolarHBondContact OD2-OG 3.39Å; D228-Y232 WeakPolarHBondContact O-CD2 3.25Å
229	A	85.6	Confident	86	Confident	30 Å²	30	48.4 Å²	48.4	25%	0.248	25%	0.251	C	S	.	.	S	Bend	trans	-85	-30.6	178.6	0	0	0	0	0	111.6	Y232 R233	A229-Y232 PolarHBondContact O-N 3.12Å; A229-R233 WeakPolarHBondContact O-CB 3.42Å; A229-R233 PolarHBondContact O-N 2.8Å
230	D	86.7	Confident	86.4	Confident	117 Å²	117	52.1 Å²	52.1	63%	0.626	26%	0.263	S	S	*	.	H	α-helix	trans	-74.4	-38.2	-171.3	-68.6	-31.7	0	0	0	111.6	D228 Y232 R233 Y234	D228-D230 PolarHBondContact OD1-N 3.33Å; D230-Y232 VanDerWaalsContact C-N 3.3Å; D230-Y232 PolarHBondContact O-N 2.9Å; D230-R233 WeakPolarHBondContact O-CB 3.42Å; D230-R233 PolarHBondContact O-N 3Å; D230-Y234 WeakPolarHBondContact O-CB 3.49Å; D230-Y234 PolarHBondContact O-N 2.93Å
231	S	87.4	Confident	86.8	Confident	10 Å²	10	48.5 Å²	48.5	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-35.8	174.1	-67.4	0	0	0	0	112.7	S58 D228 L235	S58-S231 PolarHBondContact OG-OG 3.26Å; D228-S231 VanDerWaalsContact CG-CB 3.43Å; D228-S231 VanDerWaalsContact OD1-CB 3.25Å; D228-S231 WeakPolarHBondContact OD1-CB 3.35Å; D228-S231 PolarHBondContact OD1-N 3.34Å; D228-S231 PolarHBondContact OD1-OG 2.82Å; D228-S231 VanDerWaalsContact OD1-OG 3.08Å; D228-S231 VanDerWaalsContact OD2-CB 3.26Å; D228-S231 WeakPolarHBondContact OD2-CB 3.31Å; D228-S231 PolarHBondContact OD2-OG 3.39Å; S231-L235 PolarHBondContact O-N 2.93Å
232	Y	87.3	Confident	87.4	Confident	9 Å²	9	47.3 Å²	47.3	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-81.2	-29.5	178.6	-68.8	-93.1	0	0	0	112.5	V59 M66 M70 A226 D228 A229 D230 L235 A236	V59-Y232 HydrophobicContact CG1-CE2 4.36Å; M66-Y232 HydrophobicContact CB-CE1 4.42Å; M66-Y232 VanDerWaalsContact CB-OH 3.24Å; M66-Y232 WeakPolarHBondContact CB-OH 3.2Å; M66-Y232 HydrophobicContact CE-CD1 4.38Å; M66-Y232 HydrophobicContact CE-CE1 3.44Å; M66-Y232 VanDerWaalsContact CE-CE1 3.44Å; M66-Y232 HydrophobicContact CE-CE2 4.3Å; M66-Y232 VanDerWaalsContact CE-OH 3.25Å; M66-Y232 WeakPolarHBondContact CE-OH 3.32Å; M66-Y232 WeakPolarHBondContact CG-OH 3.21Å; M70-Y232 HydrophobicContact CE-CD1 4.46Å; M70-Y232 HydrophobicContact CE-CE1 3.85Å; M70-Y232 HydrophobicContact SD-CD1 3.57Å; M70-Y232 VanDerWaalsContact SD-CD1 3.57Å; M70-Y232 HydrophobicContact SD-CE1 3.42Å; M70-Y232 WeakPolarHBondContact SD-CE1 3.47Å; A226-Y232 HydrophobicContact CB-CE2 3.56Å; D228-Y232 WeakPolarHBondContact O-CD2 3.25Å; A229-Y232 PolarHBondContact O-N 3.12Å; D230-Y232 VanDerWaalsContact C-N 3.3Å; D230-Y232 PolarHBondContact O-N 2.9Å; Y232-L235 HydrophobicContact CD1-CD2 4.41Å; Y232-L235 WeakPolarHBondContact O-CB 3.41Å; Y232-L235 PolarHBondContact O-N 2.88Å; Y232-A236 PolarHBondContact O-N 2.76Å; Y232-A236 VanDerWaalsContact O-N 3.08Å
233	R	88.4	Confident	88.2	Confident	111 Å²	111	48.6 Å²	48.6	42%	0.419	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-49.9	166	-176.4	-170.3	-52.2	-75.2	-4.6	110.1	A229 D230 L235 A236 E237	A229-R233 WeakPolarHBondContact O-CB 3.42Å; A229-R233 PolarHBondContact O-N 2.8Å; D230-R233 WeakPolarHBondContact O-CB 3.42Å; D230-R233 PolarHBondContact O-N 3Å; R233-L235 VanDerWaalsContact C-N 3.27Å; R233-L235 PolarHBondContact O-N 3.43Å; R233-A236 PolarHBondContact O-N 3.5Å; R233-A236 VanDerWaalsContact O-N 3.11Å; R233-E237 WeakPolarHBondContact CD-OE1 3.42Å; R233-E237 HydrophobicContact CG-CG 4.33Å; R233-E237 VanDerWaalsContact CG-OE1 3.23Å; R233-E237 WeakPolarHBondContact CG-OE1 3.39Å; R233-E237 WeakPolarHBondContact O-CG 3.34Å; R233-E237 PolarHBondContact O-N 3.04Å
234	Y	90.2	Very high	88.8	Confident	10 Å²	10	47.5 Å²	47.5	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-54.9	-44.1	174.6	168.8	-100.8	0	0	0	111.3	F38 V52 V55 N172 D230 A236 E237 S238	F38-Y234 AromaticContact CD1-CD2 3.86Å; F38-Y234 HydrophobicContact CD1-CD2 3.86Å; F38-Y234 HydrophobicContact CD1-CE2 4.16Å; F38-Y234 AromaticContact CD2-CD2 3.87Å; F38-Y234 HydrophobicContact CD2-CD2 3.87Å; F38-Y234 AromaticContact CD2-CE2 3.39Å; F38-Y234 HydrophobicContact CD2-CE2 3.39Å; F38-Y234 AromaticContact CE1-CD2 3.55Å; F38-Y234 HydrophobicContact CE1-CD2 3.55Å; F38-Y234 HydrophobicContact CE1-CE2 4.13Å; F38-Y234 HydrophobicContact CE1-CG 4.22Å; F38-Y234 AromaticContact CE2-CD2 3.55Å; F38-Y234 HydrophobicContact CE2-CD2 3.55Å; F38-Y234 AromaticContact CE2-CE2 3.35Å; F38-Y234 HydrophobicContact CE2-CE2 3.35Å; F38-Y234 HydrophobicContact CE2-CG 4.21Å; F38-Y234 AromaticContact CE2-CZ 3.88Å; F38-Y234 HydrophobicContact CG-CD2 4.01Å; F38-Y234 AromaticContact CG-CE2 3.81Å; F38-Y234 HydrophobicContact CG-CE2 3.81Å; F38-Y234 AromaticContact CZ-CD2 3.4Å; F38-Y234 HydrophobicContact CZ-CD2 3.4Å; F38-Y234 AromaticContact CZ-CE2 3.75Å; F38-Y234 HydrophobicContact CZ-CE2 3.75Å; F38-Y234 AromaticContact CZ-CG 3.85Å; F38-Y234 HydrophobicContact CZ-CG 3.85Å; V52-Y234 WeakPolarHBondContact CG2-OH 3.48Å; V55-Y234 HydrophobicContact CG1-CD1 3.93Å; V55-Y234 HydrophobicContact CG1-CE1 4.4Å; V55-Y234 HydrophobicContact CG2-CD1 4.22Å; V55-Y234 HydrophobicContact CG2-CG 4.42Å; N172-Y234 PolarHBondContact OD1-OH 2.91Å; D230-Y234 WeakPolarHBondContact O-CB 3.49Å; D230-Y234 PolarHBondContact O-N 2.93Å; Y234-A236 PolarHBondContact O-N 3.03Å; Y234-E237 PolarHBondContact O-N 3.41Å; Y234-S238 WeakPolarHBondContact O-CB 3.37Å; Y234-S238 PolarHBondContact O-N 2.87Å; Y234-S238 PolarHBondContact O-OG 3.42Å
235	L	89.8	Confident	89.5	Confident	31 Å²	31	41.1 Å²	41.1	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-54.9	-52.2	174.9	177.4	63.1	0	0	0	111.5	M70 F198 S231 Y232 R233 E237 S238 I239	M70-L235 HydrophobicContact CE-CD2 4.11Å; M70-L235 HydrophobicContact SD-CD2 3.99Å; F198-L235 HydrophobicContact CE2-CD1 4.18Å; S231-L235 PolarHBondContact O-N 2.93Å; Y232-L235 HydrophobicContact CD1-CD2 4.41Å; Y232-L235 WeakPolarHBondContact O-CB 3.41Å; Y232-L235 PolarHBondContact O-N 2.88Å; R233-L235 VanDerWaalsContact C-N 3.27Å; R233-L235 PolarHBondContact O-N 3.43Å; L235-E237 PolarHBondContact O-N 2.89Å; L235-S238 PolarHBondContact O-N 2.95Å; L235-S238 PolarHBondContact O-OG 2.93Å; L235-S238 VanDerWaalsContact O-OG 3.07Å; L235-I239 HydrophobicContact CD1-CD1 4.04Å; L235-I239 HydrophobicContact CD1-CG1 4.46Å; L235-I239 HydrophobicContact CG-CD1 4.11Å; L235-I239 WeakPolarHBondContact O-CD1 3.47Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.01Å; L235-I239 VanDerWaalsContact O-N 3.14Å
236	A	89	Confident	90.3	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-44.9	179.9	0	0	0	0	0	112.6	S214 F215 Y232 R233 Y234	S214-A236 WeakPolarHBondContact O-CB 3.4Å; F215-A236 HydrophobicContact CD1-CB 4.48Å; F215-A236 HydrophobicContact CE1-CB 4.47Å; Y232-A236 PolarHBondContact O-N 2.76Å; Y232-A236 VanDerWaalsContact O-N 3.08Å; R233-A236 PolarHBondContact O-N 3.5Å; R233-A236 VanDerWaalsContact O-N 3.11Å; Y234-A236 PolarHBondContact O-N 3.03Å
237	E	91.5	Very high	91.1	Very high	28 Å²	28	45.3 Å²	45.3	13%	0.131	23%	0.232	C	C	.	.	H	α-helix	trans	-68	-43.4	-179.5	-65.7	179.7	-174.4	0	0	111.9	G39 F40 F215 R233 Y234 L235 I239 R240 M241	G39-E237 VanDerWaalsContact CA-CB 3.47Å; G39-E237 WeakPolarHBondContact CA-OE2 3.39Å; F40-E237 HydrophobicContact CD1-CB 4.09Å; F40-E237 HydrophobicContact CD1-CG 4.33Å; F40-E237 HydrophobicContact CD2-CB 4.24Å; F40-E237 HydrophobicContact CD2-CG 3.57Å; F40-E237 HydrophobicContact CE1-CB 4.21Å; F40-E237 HydrophobicContact CE1-CG 4.43Å; F40-E237 HydrophobicContact CE2-CB 4.36Å; F40-E237 HydrophobicContact CE2-CG 3.71Å; F40-E237 HydrophobicContact CG-CB 4.11Å; F40-E237 HydrophobicContact CG-CG 3.91Å; F40-E237 HydrophobicContact CZ-CB 4.36Å; F40-E237 HydrophobicContact CZ-CG 4.16Å; F40-E237 PolarHBondContact N-OE2 2.89Å; F215-E237 HydrophobicContact CE1-CG 4.43Å; R233-E237 WeakPolarHBondContact CD-OE1 3.42Å; R233-E237 HydrophobicContact CG-CG 4.33Å; R233-E237 VanDerWaalsContact CG-OE1 3.23Å; R233-E237 WeakPolarHBondContact CG-OE1 3.39Å; R233-E237 WeakPolarHBondContact O-CG 3.34Å; R233-E237 PolarHBondContact O-N 3.04Å; Y234-E237 PolarHBondContact O-N 3.41Å; L235-E237 PolarHBondContact O-N 2.89Å; E237-I239 VanDerWaalsContact C-N 3.27Å; E237-I239 PolarHBondContact O-N 2.93Å; E237-R240 WeakPolarHBondContact O-CB 3.23Å; E237-R240 PolarHBondContact O-N 2.76Å; E237-M241 PolarHBondContact O-N 3.03Å; E237-M241 VanDerWaalsContact O-N 3.16Å
238	S	92.8	Very high	91.8	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-29.1	-178.4	59.3	0	0	0	0	112.1	R171 Y234 L235 R240 M241 H242	R171-S238 VanDerWaalsContact CD-CB 3.47Å; R171-S238 VanDerWaalsContact CD-O 3.25Å; R171-S238 WeakPolarHBondContact CD-O 3.39Å; R171-S238 WeakPolarHBondContact CD-OG 3.29Å; R171-S238 PolarHBondContact NE-OG 2.72Å; Y234-S238 WeakPolarHBondContact O-CB 3.37Å; Y234-S238 PolarHBondContact O-N 2.87Å; Y234-S238 PolarHBondContact O-OG 3.42Å; L235-S238 PolarHBondContact O-N 2.95Å; L235-S238 PolarHBondContact O-OG 2.93Å; L235-S238 VanDerWaalsContact O-OG 3.07Å; S238-R240 VanDerWaalsContact C-N 3.33Å; S238-M241 PolarHBondContact O-N 2.91Å; S238-H242 PolarHBondContact O-N 3.36Å; S238-H242 VanDerWaalsContact O-N 3.09Å
239	I	91.2	Very high	92.4	Very high	12 Å²	12	40 Å²	40	6%	0.062	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-40.9	170.7	-69.4	164.5	0	0	0	110.7	F198 Y210 L235 E237 M241 H242	F198-I239 HydrophobicContact CB-CB 4.41Å; F198-I239 HydrophobicContact CB-CD1 4.15Å; F198-I239 HydrophobicContact CB-CG1 3.77Å; F198-I239 HydrophobicContact CB-CG2 3.88Å; F198-I239 HydrophobicContact CD1-CD1 4.3Å; F198-I239 HydrophobicContact CD2-CD1 3.54Å; F198-I239 HydrophobicContact CD2-CG1 3.69Å; F198-I239 HydrophobicContact CE2-CD1 3.97Å; F198-I239 HydrophobicContact CG-CD1 3.75Å; F198-I239 HydrophobicContact CG-CG1 3.88Å; Y210-I239 HydrophobicContact CE1-CG2 4.32Å; L235-I239 HydrophobicContact CD1-CD1 4.04Å; L235-I239 HydrophobicContact CD1-CG1 4.46Å; L235-I239 HydrophobicContact CG-CD1 4.11Å; L235-I239 WeakPolarHBondContact O-CD1 3.47Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.01Å; L235-I239 VanDerWaalsContact O-N 3.14Å; E237-I239 VanDerWaalsContact C-N 3.27Å; E237-I239 PolarHBondContact O-N 2.93Å; I239-M241 VanDerWaalsContact C-N 3.32Å; I239-M241 PolarHBondContact O-N 2.91Å; I239-H242 WeakPolarHBondContact O-CB 3.38Å; I239-H242 PolarHBondContact O-N 3.34Å
240	R	89	Confident	93	Very high	91 Å²	91	40.5 Å²	40.5	34%	0.343	21%	0.205	S	C	.	.	H	α-helix	trans	-68.6	-31.6	178.3	-63.6	-55.3	-167.8	125.3	31.7	113.7	F40 D211 F215 E237 S238 H242	F40-R240 HydrophobicContact CE1-CB 3.93Å; F40-R240 HydrophobicContact CE1-CG 4.46Å; F40-R240 HydrophobicContact CZ-CB 4.25Å; F40-R240 HydrophobicContact CZ-CG 4.29Å; D211-R240 VanDerWaalsContact CB-NH2 3.28Å; D211-R240 VanDerWaalsContact CG-NH1 3.32Å; D211-R240 IonicContact OD1-CZ 3.32Å; D211-R240 IonicContact OD1-NE 3.77Å; D211-R240 IonicContact OD1-NH1 3.02Å; D211-R240 PolarHBondContact OD1-NH1 2.94Å; D211-R240 IonicContact OD1-NH2 2.57Å; D211-R240 PolarHBondContact OD1-NH2 2.92Å; D211-R240 IonicContact OD2-CZ 3.08Å; D211-R240 VanDerWaalsContact OD2-CZ 3.23Å; D211-R240 IonicContact OD2-NH1 2.78Å; D211-R240 PolarHBondContact OD2-NH1 3.45Å; D211-R240 IonicContact OD2-NH2 3.27Å; D211-R240 PolarHBondContact OD2-NH2 3.26Å; F215-R240 VanDerWaalsContact CE2-NH2 3.32Å; F215-R240 HydrophobicContact CZ-CG 4.24Å; E237-R240 WeakPolarHBondContact O-CB 3.23Å; E237-R240 PolarHBondContact O-N 2.76Å; S238-R240 VanDerWaalsContact C-N 3.33Å; R240-H242 VanDerWaalsContact C-N 3.33Å
241	M	92	Very high	93.6	Very high	77 Å²	77	36.1 Å²	36.1	38%	0.379	18%	0.182	S	C	.	.	H	α-helix	trans	-84.3	-9.6	177.5	-60.1	-51.4	-66.1	0	0	113.1	H37 G39 F40 E237 S238 I239	H37-M241 HydrophobicContact CB-CE 4.2Å; H37-M241 VanDerWaalsContact CD2-CE 3.43Å; H37-M241 WeakPolarHBondContact CD2-CE 3.29Å; G39-M241 VanDerWaalsContact O-CG 3.31Å; G39-M241 WeakPolarHBondContact O-CG 3.38Å; F40-M241 HydrophobicContact CD1-CG 4.19Å; F40-M241 HydrophobicContact CD1-SD 4.02Å; F40-M241 HydrophobicContact CE1-CG 4.42Å; F40-M241 HydrophobicContact CE1-SD 4.17Å; E237-M241 PolarHBondContact O-N 3.03Å; E237-M241 VanDerWaalsContact O-N 3.16Å; S238-M241 PolarHBondContact O-N 2.91Å; I239-M241 VanDerWaalsContact C-N 3.32Å; I239-M241 PolarHBondContact O-N 2.91Å
242	H	95.3	Very high	94.1	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.032	18%	0.178	C	C	.	.	S	Bend	trans	-73.5	140.7	175.8	-166.3	66.8	0	0	0	110.3	R171 K176 E197 F198 S238 I239 R240	R171-H242 WeakPolarHBondContact CA-ND1 3.43Å; K176-H242 WeakPolarHBondContact CE-ND1 3.31Å; E197-H242 WeakPolarHBondContact CG-NE2 3.29Å; F198-H242 PolarHBondContact O-CD2 3.45Å; S238-H242 PolarHBondContact O-N 3.36Å; S238-H242 VanDerWaalsContact O-N 3.09Å; I239-H242 WeakPolarHBondContact O-CB 3.38Å; I239-H242 PolarHBondContact O-N 3.34Å; R240-H242 VanDerWaalsContact C-N 3.33Å
243	P	96.1	Very high	94.6	Very high	26 Å²	26	39.7 Å²	39.7	17%	0.169	20%	0.197	C	C	.	.			trans	-50.8	145.1	169.9	-28.5	36.7	0	0	0	112	K176 T247 L248 M251	K176-P243 HydrophobicContact CD-CG 4.4Å; P243-T247 HydrophobicContact CB-CG2 3.83Å; P243-L248 HydrophobicContact CB-CB 4.18Å; P243-M251 HydrophobicContact CB-SD 4.11Å; P243-M251 HydrophobicContact CG-SD 3.63Å
244	D	96.5	Very high	95.1	Very high	36 Å²	36	40.6 Å²	40.6	19%	0.193	21%	0.21	C	C	.	.			trans	-76.7	-176.3	169.8	53.2	40.3	0	0	0	112	K200 D246 T247 L248	K200-D244 HydrophobicContact CB-CB 4.46Å; K200-D244 HydrophobicContact CD-CB 3.68Å; K200-D244 HydrophobicContact CG-CB 3.95Å; K200-D244 IonicContact NZ-OD2 2.76Å; K200-D244 PolarHBondContact NZ-OD2 2.95Å; D244-D246 PolarHBondContact O-N 2.87Å; D244-T247 PolarHBondContact O-N 2.87Å; D244-T247 VanDerWaalsContact OD1-CB 3.23Å; D244-T247 WeakPolarHBondContact OD1-CB 3.21Å; D244-T247 PolarHBondContact OD1-N 3.45Å; D244-T247 PolarHBondContact OD1-OG1 3.17Å; D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 PolarHBondContact O-N 3.17Å
245	Q	97.4	Very high	95.5	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-52.4	-173.3	-66.2	87.2	-38.8	0	0	112.2	S199 K200 K249 Y262 N264 A271 H273	S199-Q245 WeakPolarHBondContact OG-CG 3.36Å; S199-Q245 PolarHBondContact OG-N 3.23Å; S199-Q245 PolarHBondContact OG-OE1 3.12Å; K200-Q245 PolarHBondContact O-NE2 3.21Å; Q245-K249 WeakPolarHBondContact O-CB 3.39Å; Q245-K249 PolarHBondContact O-N 3.17Å; Q245-Y262 HydrophobicContact CB-CD1 3.94Å; Q245-Y262 HydrophobicContact CB-CD2 3.89Å; Q245-Y262 HydrophobicContact CB-CE1 3.67Å; Q245-Y262 HydrophobicContact CB-CE2 3.64Å; Q245-Y262 HydrophobicContact CB-CG 4.04Å; Q245-Y262 HydrophobicContact CG-CD2 3.94Å; Q245-Y262 HydrophobicContact CG-CE2 3.9Å; Q245-Y262 HydrophobicContact CG-CG 4.41Å; Q245-N264 PolarHBondContact NE2-OD1 3.02Å; Q245-A271 HydrophobicContact CG-CB 3.79Å; Q245-H273 WeakPolarHBondContact CA-NE2 3.35Å; Q245-H273 PolarHBondContact O-NE2 3.42Å
246	D	98.2	Very high	95.9	Very high	99 Å²	99	40.5 Å²	40.5	53%	0.529	22%	0.219	S	C	.	.	H	α-helix	trans	-72.4	-36.8	-176.5	-63.1	-45.3	0	0	0	111.6	D244 K249 A250 Y262	D244-D246 PolarHBondContact O-N 2.87Å; D246-K249 WeakPolarHBondContact O-CB 3.2Å; D246-K249 PolarHBondContact O-N 3.32Å; D246-A250 PolarHBondContact O-N 3.07Å; D246-Y262 VanDerWaalsContact OD1-CE1 3.22Å; D246-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; D246-Y262 PolarHBondContact OD1-OH 2.96Å
247	T	98.1	Very high	96.4	Very high	68 Å²	68	40.5 Å²	40.5	42%	0.417	22%	0.218	S	C	.	.	H	α-helix	trans	-64.7	-46.9	176.3	-52.2	0	0	0	0	111.4	P243 D244 K249 A250 M251	P243-T247 HydrophobicContact CB-CG2 3.83Å; D244-T247 PolarHBondContact O-N 2.87Å; D244-T247 VanDerWaalsContact OD1-CB 3.23Å; D244-T247 WeakPolarHBondContact OD1-CB 3.21Å; D244-T247 PolarHBondContact OD1-N 3.45Å; D244-T247 PolarHBondContact OD1-OG1 3.17Å; T247-K249 VanDerWaalsContact C-N 3.31Å; T247-K249 PolarHBondContact O-N 3.06Å; T247-A250 PolarHBondContact O-N 3.46Å; T247-M251 HydrophobicContact CG2-SD 4.44Å; T247-M251 VanDerWaalsContact O-CG 3.31Å; T247-M251 WeakPolarHBondContact O-CG 3.29Å; T247-M251 PolarHBondContact O-N 3.01Å
248	L	98.5	Very high	96.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-36.1	177.3	177.2	57.2	0	0	0	111.7	L170 L180 V195 P243 D244 M251 M252	L170-L248 HydrophobicContact CD2-CD1 3.66Å; L170-L248 HydrophobicContact CD2-CD2 4.39Å; L180-L248 HydrophobicContact CD1-CD1 4.41Å; V195-L248 HydrophobicContact CG1-CD2 3.98Å; P243-L248 HydrophobicContact CB-CB 4.18Å; D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 PolarHBondContact O-N 3.17Å; L248-M251 PolarHBondContact O-N 2.74Å; L248-M252 HydrophobicContact CD1-CG 4.43Å; L248-M252 WeakPolarHBondContact O-CG 3.28Å; L248-M252 PolarHBondContact O-N 2.8Å
249	K	98.7	Very high	97	Very high	55 Å²	55	47.6 Å²	47.6	24%	0.239	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-47.7	172.8	169.2	169.4	174.3	162.3	0	111.2	Q245 D246 T247 M252 Q253 V260 D261 Y262	Q245-K249 WeakPolarHBondContact O-CB 3.39Å; Q245-K249 PolarHBondContact O-N 3.17Å; D246-K249 WeakPolarHBondContact O-CB 3.2Å; D246-K249 PolarHBondContact O-N 3.32Å; T247-K249 VanDerWaalsContact C-N 3.31Å; T247-K249 PolarHBondContact O-N 3.06Å; K249-M252 PolarHBondContact O-N 3.3Å; K249-Q253 WeakPolarHBondContact O-CG 3.38Å; K249-Q253 PolarHBondContact O-N 3.14Å; K249-V260 HydrophobicContact CB-CG1 4.25Å; K249-V260 WeakPolarHBondContact CE-O 3.34Å; K249-V260 HydrophobicContact CG-CB 4.18Å; K249-V260 HydrophobicContact CG-CG1 3.83Å; K249-V260 PolarHBondContact NZ-O 3.13Å; K249-D261 IonicContact NZ-OD1 3.66Å; K249-Y262 HydrophobicContact CB-CD1 4.33Å; K249-Y262 HydrophobicContact CD-CD1 4.11Å; K249-Y262 HydrophobicContact CD-CE1 4.13Å
250	A	98.7	Very high	97.3	Very high	40 Å²	40	47.3 Å²	47.3	33%	0.331	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-45	176.3	0	0	0	0	0	111.8	D246 T247 M252 Q253 D254	D246-A250 PolarHBondContact O-N 3.07Å; T247-A250 PolarHBondContact O-N 3.46Å; A250-M252 VanDerWaalsContact C-N 3.3Å; A250-M252 PolarHBondContact O-N 3.42Å; A250-Q253 WeakPolarHBondContact O-CA 3.25Å; A250-Q253 WeakPolarHBondContact O-CB 3.32Å; A250-Q253 PolarHBondContact O-N 3.38Å; A250-D254 PolarHBondContact O-N 3.48Å
251	M	98.8	Very high	97.8	Very high	26 Å²	26	46.7 Å²	46.7	13%	0.128	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-38.1	176.8	-66.4	173.1	73.8	0	0	113	K176 D177 L180 P243 T247 L248 Q253 D254 A255	K176-M251 HydrophobicContact CB-CE 3.64Å; K176-M251 HydrophobicContact CD-CE 4.39Å; D177-M251 WeakPolarHBondContact OD1-CE 3.43Å; L180-M251 HydrophobicContact CD1-CB 3.82Å; P243-M251 HydrophobicContact CB-SD 4.11Å; P243-M251 HydrophobicContact CG-SD 3.63Å; T247-M251 HydrophobicContact CG2-SD 4.44Å; T247-M251 VanDerWaalsContact O-CG 3.31Å; T247-M251 WeakPolarHBondContact O-CG 3.29Å; T247-M251 PolarHBondContact O-N 3.01Å; L248-M251 PolarHBondContact O-N 2.74Å; M251-Q253 VanDerWaalsContact C-N 3.35Å; M251-D254 PolarHBondContact O-N 3.29Å; M251-A255 PolarHBondContact O-N 3.47Å; M251-A255 VanDerWaalsContact O-N 3.09Å
252	M	98.9	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-40.8	173.7	-72.6	178	66.2	0	0	111.3	L180 L193 V195 L248 K249 A250 A255 G256 F257 V260 H273	L180-M252 HydrophobicContact CD1-CG 4.22Å; L180-M252 HydrophobicContact CD2-CG 3.98Å; L193-M252 HydrophobicContact CD2-CE 4.1Å; L193-M252 HydrophobicContact CG-CE 4.32Å; V195-M252 HydrophobicContact CG2-SD 4.19Å; L248-M252 HydrophobicContact CD1-CG 4.43Å; L248-M252 WeakPolarHBondContact O-CG 3.28Å; L248-M252 PolarHBondContact O-N 2.8Å; K249-M252 PolarHBondContact O-N 3.3Å; A250-M252 VanDerWaalsContact C-N 3.3Å; A250-M252 PolarHBondContact O-N 3.42Å; M252-A255 PolarHBondContact O-N 2.85Å; M252-G256 PolarHBondContact O-N 2.81Å; M252-F257 HydrophobicContact CB-CB 4.37Å; M252-F257 HydrophobicContact CB-CD2 4.25Å; M252-F257 WeakPolarHBondContact O-CB 3.35Å; M252-F257 WeakPolarHBondContact O-CD2 3.29Å; M252-F257 PolarHBondContact O-N 3.23Å; M252-V260 HydrophobicContact CB-CG1 3.93Å; M252-V260 HydrophobicContact CB-CG2 4.09Å; M252-V260 HydrophobicContact CE-CG1 4Å; M252-V260 HydrophobicContact SD-CG1 3.94Å; M252-H273 HydrophobicContact CE-CB 4.45Å; M252-H273 HydrophobicContact SD-CB 3.6Å; M252-H273 VanDerWaalsContact SD-CB 3.6Å
253	Q	98.7	Very high	98.2	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176.1	-66.7	171.8	-58.2	0	0	111.5	K249 A250 M251 A255 G256 F257 V260	K249-Q253 WeakPolarHBondContact O-CG 3.38Å; K249-Q253 PolarHBondContact O-N 3.14Å; A250-Q253 WeakPolarHBondContact O-CA 3.25Å; A250-Q253 WeakPolarHBondContact O-CB 3.32Å; A250-Q253 PolarHBondContact O-N 3.38Å; M251-Q253 VanDerWaalsContact C-N 3.35Å; Q253-A255 PolarHBondContact O-N 3.25Å; Q253-G256 WeakPolarHBondContact O-CA 3.24Å; Q253-G256 PolarHBondContact O-N 3.48Å; Q253-F257 WeakPolarHBondContact CA-O 3.29Å; Q253-V260 HydrophobicContact CG-CB 3.97Å; Q253-V260 HydrophobicContact CG-CG2 3.67Å
254	D	98.6	Very high	98.3	Very high	129 Å²	129	50.4 Å²	50.4	69%	0.69	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-29.9	176.8	-68	-21	0	0	0	112.8	A250 M251 G256	A250-D254 PolarHBondContact O-N 3.48Å; M251-D254 PolarHBondContact O-N 3.29Å; D254-G256 PolarHBondContact O-N 3.1Å
255	A	98.6	Very high	98.3	Very high	11 Å²	11	49.6 Å²	49.6	9%	0.091	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-8	173.2	0	0	0	0	0	113.9	L180 R181 M251 M252 Q253 F257	L180-A255 HydrophobicContact CB-CB 3.61Å; R181-A255 HydrophobicContact CG-CB 4.05Å; M251-A255 PolarHBondContact O-N 3.47Å; M251-A255 VanDerWaalsContact O-N 3.09Å; M252-A255 PolarHBondContact O-N 2.85Å; Q253-A255 PolarHBondContact O-N 3.25Å; A255-F257 HydrophobicContact CB-CD2 4.2Å; A255-F257 HydrophobicContact CB-CE2 4.36Å
256	G	98.5	Very high	98.1	Very high	28 Å²	28	52.1 Å²	52.1	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	0.9	178.1	0	0	0	0	0	115	Y184 M252 Q253 D254	Y184-G256 WeakPolarHBondContact CE2-O 3.4Å; M252-G256 PolarHBondContact O-N 2.81Å; Q253-G256 WeakPolarHBondContact O-CA 3.24Å; Q253-G256 PolarHBondContact O-N 3.48Å; D254-G256 PolarHBondContact O-N 3.1Å
257	F	98.8	Very high	97.8	Very high	4 Å²	4	49 Å²	49	2%	0.018	27%	0.273	C	S	.	.			trans	-72.7	138.1	176.5	-66.6	-82.6	0	0	0	111.4	M183 Y184 L187 L193 M252 Q253 A255 V260 Y276	M183-F257 HydrophobicContact CB-CZ 4.32Å; Y184-F257 AromaticContact CD2-CD1 3.97Å; Y184-F257 HydrophobicContact CD2-CD1 3.97Å; Y184-F257 HydrophobicContact CD2-CD2 4.27Å; Y184-F257 AromaticContact CD2-CE1 3.97Å; Y184-F257 HydrophobicContact CD2-CE1 3.97Å; Y184-F257 HydrophobicContact CD2-CE2 4.27Å; Y184-F257 HydrophobicContact CD2-CG 4.12Å; Y184-F257 HydrophobicContact CD2-CZ 4.12Å; Y184-F257 HydrophobicContact CG-CZ 4.44Å; L187-F257 HydrophobicContact CD2-CD1 4.49Å; L187-F257 HydrophobicContact CD2-CE1 3.71Å; L193-F257 HydrophobicContact CB-CD1 4.16Å; L193-F257 HydrophobicContact CB-CE1 3.45Å; L193-F257 VanDerWaalsContact CB-CE1 3.45Å; L193-F257 HydrophobicContact CB-CZ 3.69Å; L193-F257 HydrophobicContact CD2-CD2 4.33Å; L193-F257 HydrophobicContact CD2-CE1 4.01Å; L193-F257 HydrophobicContact CD2-CE2 3.56Å; L193-F257 HydrophobicContact CD2-CZ 3.37Å; L193-F257 HydrophobicContact CG-CE1 4.38Å; L193-F257 HydrophobicContact CG-CZ 4.15Å; M252-F257 HydrophobicContact CB-CB 4.37Å; M252-F257 HydrophobicContact CB-CD2 4.25Å; M252-F257 WeakPolarHBondContact O-CB 3.35Å; M252-F257 WeakPolarHBondContact O-CD2 3.29Å; M252-F257 PolarHBondContact O-N 3.23Å; Q253-F257 WeakPolarHBondContact CA-O 3.29Å; A255-F257 HydrophobicContact CB-CD2 4.2Å; A255-F257 HydrophobicContact CB-CE2 4.36Å; F257-V260 HydrophobicContact CB-CG2 3.71Å; F257-V260 WeakPolarHBondContact O-CG2 3.36Å; F257-Y276 CarbonylContact C-O 3.55Å; F257-Y276 WeakPolarHBondContact CA-O 3.17Å
258	E	98.5	Very high	97.6	Very high	99 Å²	99	45.7 Å²	45.7	46%	0.463	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	165.8	177.9	-68.4	-174.5	-111.7	0	0	111.4	V260 Y276 F278	E258-V260 PolarHBondContact O-N 3.36Å; E258-V260 VanDerWaalsContact O-N 3.11Å; E258-Y276 PolarHBondContact N-O 3.29Å; E258-Y276 PolarHBondContact O-N 3.1Å; E258-F278 HydrophobicContact CB-CD2 3.52Å; E258-F278 HydrophobicContact CB-CE2 3.57Å; E258-F278 HydrophobicContact CG-CD2 4.15Å
259	S	97.9	Very high	97.3	Very high	83 Å²	83	46.1 Å²	46.1	58%	0.58	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.5	40.5	-175.9	-58	0	0	0	0	112.9	D261	S259-D261 PolarHBondContact O-N 2.92Å
260	V	98.6	Very high	97.1	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.4	-178.1	-171.4	0	0	0	0	110	K249 M252 Q253 F257 E258 R274	K249-V260 HydrophobicContact CB-CG1 4.25Å; K249-V260 WeakPolarHBondContact CE-O 3.34Å; K249-V260 HydrophobicContact CG-CB 4.18Å; K249-V260 HydrophobicContact CG-CG1 3.83Å; K249-V260 PolarHBondContact NZ-O 3.13Å; M252-V260 HydrophobicContact CB-CG1 3.93Å; M252-V260 HydrophobicContact CB-CG2 4.09Å; M252-V260 HydrophobicContact CE-CG1 4Å; M252-V260 HydrophobicContact SD-CG1 3.94Å; Q253-V260 HydrophobicContact CG-CB 3.97Å; Q253-V260 HydrophobicContact CG-CG2 3.67Å; F257-V260 HydrophobicContact CB-CG2 3.71Å; F257-V260 WeakPolarHBondContact O-CG2 3.36Å; E258-V260 PolarHBondContact O-N 3.36Å; E258-V260 VanDerWaalsContact O-N 3.11Å; V260-R274 VanDerWaalsContact CA-O 3.3Å; V260-R274 WeakPolarHBondContact CA-O 3.24Å
261	D	98.1	Very high	97.1	Very high	79 Å²	79	41.7 Å²	41.7	42%	0.422	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	167.3	175.3	-154.3	5.5	0	0	0	111.1	K249 S259 H273 R274	K249-D261 IonicContact NZ-OD1 3.66Å; S259-D261 PolarHBondContact O-N 2.92Å; D261-H273 CarbonylContact O-C 3.14Å; D261-H273 WeakPolarHBondContact O-CA 3.25Å; D261-R274 PolarHBondContact N-O 3.09Å; D261-R274 PolarHBondContact O-N 3.46Å
262	Y	98.4	Very high	97.1	Very high	51 Å²	51	40.4 Å²	40.4	20%	0.2	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.9	177.5	61.8	-101.2	0	0	0	113.7	Q245 D246 K249 L272 H273	Q245-Y262 HydrophobicContact CB-CD1 3.94Å; Q245-Y262 HydrophobicContact CB-CD2 3.89Å; Q245-Y262 HydrophobicContact CB-CE1 3.67Å; Q245-Y262 HydrophobicContact CB-CE2 3.64Å; Q245-Y262 HydrophobicContact CB-CG 4.04Å; Q245-Y262 HydrophobicContact CG-CD2 3.94Å; Q245-Y262 HydrophobicContact CG-CE2 3.9Å; Q245-Y262 HydrophobicContact CG-CG 4.41Å; D246-Y262 VanDerWaalsContact OD1-CE1 3.22Å; D246-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; D246-Y262 PolarHBondContact OD1-OH 2.96Å; K249-Y262 HydrophobicContact CB-CD1 4.33Å; K249-Y262 HydrophobicContact CD-CD1 4.11Å; K249-Y262 HydrophobicContact CD-CE1 4.13Å; Y262-L272 CarbonylContact C-O 3.6Å; Y262-L272 WeakPolarHBondContact CA-O 3.28Å; Y262-H273 AromaticContact CD1-NE2 3.91Å
263	Y	98.3	Very high	97.1	Very high	78 Å²	78	40.5 Å²	40.5	31%	0.306	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.6	172.9	-58	-84.1	0	0	0	109.9	F81 L265 A271 L272 R274	F81-Y263 HydrophobicContact CE1-CD1 4.35Å; F81-Y263 AromaticContact CE1-CD2 3.86Å; F81-Y263 HydrophobicContact CE1-CD2 3.86Å; F81-Y263 AromaticContact CE1-CG 3.69Å; F81-Y263 HydrophobicContact CE1-CG 3.69Å; F81-Y263 AromaticContact CZ-CD1 3.93Å; F81-Y263 HydrophobicContact CZ-CD1 3.93Å; F81-Y263 HydrophobicContact CZ-CD2 4.17Å; F81-Y263 HydrophobicContact CZ-CE1 4.5Å; F81-Y263 AromaticContact CZ-CG 3.74Å; F81-Y263 HydrophobicContact CZ-CG 3.74Å; Y263-L265 PolarHBondContact O-N 3.36Å; Y263-A271 WeakPolarHBondContact O-CA 3.28Å; Y263-L272 HydrophobicContact CD2-CD2 4.39Å; Y263-L272 PolarHBondContact N-O 3.49Å; Y263-L272 PolarHBondContact O-N 2.93Å; Y263-R274 PolarHBondContact OH-NH2 3.24Å
264	N	97.5	Very high	97.1	Very high	58 Å²	58	38.4 Å²	38.4	31%	0.31	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.9	172.1	-77.7	-49.9	0	0	0	110.2	Q245 G268	Q245-N264 PolarHBondContact NE2-OD1 3.02Å; N264-G268 WeakPolarHBondContact OD1-CA 3.41Å
265	L	95.9	Very high	97.1	Very high	19 Å²	19	32.2 Å²	32.2	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.1	176.2	-52.6	-179	0	0	0	109.3	W78 F81 L196 Y263 A267 G268 V269 V270 L272	W78-L265 HydrophobicContact CB-CD1 3.92Å; W78-L265 HydrophobicContact CG-CB 4.43Å; W78-L265 HydrophobicContact CG-CD1 4Å; F81-L265 HydrophobicContact CD1-CD1 4.13Å; F81-L265 HydrophobicContact CD1-CD2 3.71Å; F81-L265 HydrophobicContact CE1-CD2 3.86Å; F81-L265 HydrophobicContact CG-CD2 4.15Å; F81-L265 HydrophobicContact CZ-CD2 4.42Å; L196-L265 HydrophobicContact CD1-CD1 3.78Å; Y263-L265 PolarHBondContact O-N 3.36Å; L265-A267 VanDerWaalsContact C-N 3.28Å; L265-A267 PolarHBondContact O-N 3.43Å; L265-G268 PolarHBondContact O-N 3.32Å; L265-G268 VanDerWaalsContact O-N 3.12Å; L265-V269 PolarHBondContact O-N 2.99Å; L265-V270 WeakPolarHBondContact CA-O 3.24Å; L265-V270 HydrophobicContact CB-CB 4.26Å; L265-V270 HydrophobicContact CB-CG1 4.48Å; L265-V270 WeakPolarHBondContact CB-O 3.38Å; L265-V270 HydrophobicContact CD1-CG1 4.23Å; L265-V270 PolarHBondContact N-O 2.75Å; L265-V270 PolarHBondContact O-N 3.28Å; L265-L272 HydrophobicContact CD1-CB 4.41Å
266	T	93.6	Very high	97.1	Very high	65 Å²	65	34.5 Å²	34.5	40%	0.399	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	50.4	-176	-50.4	0	0	0	0	111.2	W78 G268 V269	W78-T266 HydrophobicContact CZ2-CG2 4.5Å; W78-T266 WeakPolarHBondContact CZ2-OG1 3.42Å; W78-T266 PolarHBondContact NE1-OG1 2.94Å; T266-G268 VanDerWaalsContact C-N 3.26Å; T266-G268 PolarHBondContact O-N 3.1Å; T266-V269 HydrophobicContact CG2-CG2 4.37Å; T266-V269 WeakPolarHBondContact O-CG2 3.39Å; T266-V269 PolarHBondContact O-N 2.91Å
267	A	92.2	Very high	97.1	Very high	33 Å²	33	34 Å²	34	27%	0.273	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	38.5	-178.3	0	0	0	0	0	114.3	P201 I202 I203 L206 L265	P201-A267 CarbonylContact C-O 3.4Å; P201-A267 VanDerWaalsContact CA-O 3.29Å; P201-A267 WeakPolarHBondContact CA-O 3.2Å; I202-A267 PolarHBondContact N-O 2.93Å; I203-A267 HydrophobicContact CD1-CB 3.95Å; I203-A267 HydrophobicContact CG1-CB 4.4Å; L206-A267 HydrophobicContact CD2-CB 3.56Å; L265-A267 VanDerWaalsContact C-N 3.28Å; L265-A267 PolarHBondContact O-N 3.43Å
268	G	93	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-0.1	171.2	0	0	0	0	0	115	S199 K200 N264 L265 T266 V270	S199-G268 CarbonylContact C-O 3.18Å; K200-G268 CarbonylContact C-O 3.56Å; K200-G268 PolarHBondContact N-O 2.82Å; K200-G268 CarbonylContact O-C 3.56Å; K200-G268 VanDerWaalsContact O-O 3.06Å; N264-G268 WeakPolarHBondContact OD1-CA 3.41Å; L265-G268 PolarHBondContact O-N 3.32Å; L265-G268 VanDerWaalsContact O-N 3.12Å; T266-G268 VanDerWaalsContact C-N 3.26Å; T266-G268 PolarHBondContact O-N 3.1Å; G268-V270 PolarHBondContact O-N 2.85Å
269	V	92.3	Very high	96.8	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.067	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-39.7	169	174.2	0	0	0	0	110.2	F198 S199 P201 L206 Y210 L265 T266	F198-V269 WeakPolarHBondContact CA-O 3.5Å; F198-V269 HydrophobicContact CD1-CG1 4.33Å; S199-V269 PolarHBondContact N-O 3.26Å; P201-V269 HydrophobicContact CG-CG2 3.92Å; L206-V269 HydrophobicContact CD2-CG2 4.18Å; Y210-V269 HydrophobicContact CD2-CG1 4.05Å; Y210-V269 HydrophobicContact CD2-CG2 4.24Å; Y210-V269 HydrophobicContact CE2-CG1 3.54Å; L265-V269 PolarHBondContact O-N 2.99Å; T266-V269 HydrophobicContact CG2-CG2 4.37Å; T266-V269 WeakPolarHBondContact O-CG2 3.39Å; T266-V269 PolarHBondContact O-N 2.91Å
270	V	96.2	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.6	171.7	172.8	0	0	0	0	108.5	W78 F168 L196 E197 F198 L265 G268	W78-V270 HydrophobicContact CD2-CB 4.16Å; W78-V270 HydrophobicContact CD2-CG1 4.28Å; W78-V270 HydrophobicContact CD2-CG2 3.95Å; W78-V270 HydrophobicContact CE3-CB 4.37Å; W78-V270 HydrophobicContact CE3-CG1 4.44Å; W78-V270 HydrophobicContact CE3-CG2 3.71Å; W78-V270 HydrophobicContact CG-CG1 4.44Å; W78-V270 HydrophobicContact CH2-CG2 3.58Å; W78-V270 HydrophobicContact CZ2-CB 4.35Å; W78-V270 HydrophobicContact CZ2-CG2 3.8Å; W78-V270 HydrophobicContact CZ3-CG2 3.53Å; F168-V270 HydrophobicContact CE1-CG1 4.25Å; F168-V270 HydrophobicContact CE1-CG2 3.96Å; F168-V270 HydrophobicContact CZ-CG1 4.2Å; F168-V270 HydrophobicContact CZ-CG2 4.22Å; L196-V270 HydrophobicContact CD1-CG1 3.51Å; L196-V270 HydrophobicContact CG-CG1 4.08Å; E197-V270 CarbonylContact O-C 3.58Å; E197-V270 WeakPolarHBondContact O-CA 3.48Å; E197-V270 WeakPolarHBondContact O-CG1 3.42Å; F198-V270 HydrophobicContact CD1-CG2 3.58Å; F198-V270 HydrophobicContact CE1-CG2 3.82Å; F198-V270 HydrophobicContact CG-CG2 4.46Å; L265-V270 WeakPolarHBondContact CA-O 3.24Å; L265-V270 HydrophobicContact CB-CB 4.26Å; L265-V270 HydrophobicContact CB-CG1 4.48Å; L265-V270 WeakPolarHBondContact CB-O 3.38Å; L265-V270 HydrophobicContact CD1-CG1 4.23Å; L265-V270 PolarHBondContact N-O 2.75Å; L265-V270 PolarHBondContact O-N 3.28Å; G268-V270 PolarHBondContact O-N 2.85Å
271	A	98.2	Very high	96.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.5	171.2	0	0	0	0	0	110	E197 Q245 Y263	E197-A271 PolarHBondContact N-O 2.86Å; E197-A271 PolarHBondContact O-N 3.41Å; Q245-A271 HydrophobicContact CG-CB 3.79Å; Y263-A271 WeakPolarHBondContact O-CA 3.28Å
272	L	98.7	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	104.7	167.1	176.6	66.3	0	0	0	108.4	F81 T82 C85 L194 V195 L196 Y262 Y263 L265	F81-L272 HydrophobicContact CD1-CD2 3.66Å; F81-L272 HydrophobicContact CE1-CD2 3.75Å; T82-L272 HydrophobicContact CG2-CD1 3.93Å; C85-L272 HydrophobicContact CB-CD2 3.73Å; L194-L272 HydrophobicContact CB-CD1 4.07Å; L194-L272 HydrophobicContact CD2-CD1 4.21Å; L194-L272 HydrophobicContact CD2-CD2 4.27Å; V195-L272 WeakPolarHBondContact O-CA 3.5Å; L196-L272 HydrophobicContact CB-CD1 3.99Å; L196-L272 HydrophobicContact CD1-CB 4.01Å; L196-L272 HydrophobicContact CD1-CD1 4.16Å; Y262-L272 CarbonylContact C-O 3.6Å; Y262-L272 WeakPolarHBondContact CA-O 3.28Å; Y263-L272 HydrophobicContact CD2-CD2 4.39Å; Y263-L272 PolarHBondContact N-O 3.49Å; Y263-L272 PolarHBondContact O-N 2.93Å; L265-L272 HydrophobicContact CD1-CB 4.41Å
273	H	98.8	Very high	96.4	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141	170.3	-62.4	63.3	0	0	0	110	L194 V195 Q245 M252 D261 Y262	L194-H273 CarbonylContact C-O 3.56Å; L194-H273 WeakPolarHBondContact CA-O 3.44Å; V195-H273 HydrophobicContact CB-CB 4.27Å; V195-H273 PolarHBondContact N-O 2.96Å; V195-H273 PolarHBondContact O-N 3.41Å; Q245-H273 WeakPolarHBondContact CA-NE2 3.35Å; Q245-H273 PolarHBondContact O-NE2 3.42Å; M252-H273 HydrophobicContact CE-CB 4.45Å; M252-H273 HydrophobicContact SD-CB 3.6Å; M252-H273 VanDerWaalsContact SD-CB 3.6Å; D261-H273 CarbonylContact O-C 3.14Å; D261-H273 WeakPolarHBondContact O-CA 3.25Å; Y262-H273 AromaticContact CD1-NE2 3.91Å
274	R	98.8	Very high	96.3	Very high	49 Å²	49	30.4 Å²	30.4	19%	0.185	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.8	176.3	-175.9	177	65.6	-178.2	2	109.5	C85 R192 L193 L194 V260 D261 Y263 Y276	C85-R274 PolarHBondContact O-NH1 3.06Å; R192-R274 HydrophobicContact CB-CG 4.5Å; L193-R274 WeakPolarHBondContact O-CA 3.39Å; L194-R274 HydrophobicContact CG-CG 4.3Å; V260-R274 VanDerWaalsContact CA-O 3.3Å; V260-R274 WeakPolarHBondContact CA-O 3.24Å; D261-R274 PolarHBondContact N-O 3.09Å; D261-R274 PolarHBondContact O-N 3.46Å; Y263-R274 PolarHBondContact OH-NH2 3.24Å; R274-Y276 WeakPolarHBondContact CD-OH 3.39Å; R274-Y276 HydrophobicContact CG-CE2 4.03Å; R274-Y276 PolarHBondContact NE-OH 2.96Å; R274-Y276 VanDerWaalsContact NE-OH 3.13Å; R274-Y276 PolarHBondContact NH1-OH 3.15Å
275	G	98.7	Very high	96.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.6	174.7	0	0	0	0	0	111.1	R192 L193	R192-G275 CarbonylContact C-O 3.55Å; R192-G275 VanDerWaalsContact CA-O 3.24Å; R192-G275 WeakPolarHBondContact CA-O 3.36Å; R192-G275 WeakPolarHBondContact CB-O 3.49Å; L193-G275 PolarHBondContact N-O 2.93Å; L193-G275 PolarHBondContact O-N 2.82Å
276	Y	98.7	Very high	96.3	Very high	58 Å²	58	29.2 Å²	29.2	23%	0.227	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	155.3	-177.1	-65.9	-95.8	0	0	0	110.8	G191 R192 F257 E258 R274 F278	G191-Y276 WeakPolarHBondContact O-CA 3.41Å; R192-Y276 HydrophobicContact CB-CD1 3.78Å; R192-Y276 HydrophobicContact CB-CE1 3.83Å; R192-Y276 HydrophobicContact CB-CG 4.33Å; R192-Y276 HydrophobicContact CG-CE1 4.4Å; F257-Y276 CarbonylContact C-O 3.55Å; F257-Y276 WeakPolarHBondContact CA-O 3.17Å; E258-Y276 PolarHBondContact N-O 3.29Å; E258-Y276 PolarHBondContact O-N 3.1Å; R274-Y276 WeakPolarHBondContact CD-OH 3.39Å; R274-Y276 HydrophobicContact CG-CE2 4.03Å; R274-Y276 PolarHBondContact NE-OH 2.96Å; R274-Y276 VanDerWaalsContact NE-OH 3.13Å; R274-Y276 PolarHBondContact NH1-OH 3.15Å; Y276-F278 HydrophobicContact CG-CZ 4.41Å
277	K	98.6	Very high	96.5	Very high	18 Å²	18	26.2 Å²	26.2	8%	0.078	12%	0.123	C	C	.	.			trans	-107.6	126.7	166.1	176.5	175.1	-176	175.3	0	108.1	N159 Y184 L187 G190 G191	N159-K277 PolarHBondContact OD1-NZ 3.1Å; Y184-K277 HydrophobicContact CD2-CB 4.32Å; Y184-K277 HydrophobicContact CD2-CD 4.33Å; Y184-K277 HydrophobicContact CD2-CG 4.32Å; Y184-K277 HydrophobicContact CE1-CD 4.38Å; Y184-K277 HydrophobicContact CE2-CB 3.87Å; Y184-K277 HydrophobicContact CE2-CD 3.99Å; Y184-K277 HydrophobicContact CE2-CG 3.62Å; Y184-K277 PolarHBondContact O-NZ 3.36Å; L187-K277 HydrophobicContact CB-CD 4.32Å; L187-K277 HydrophobicContact CD2-CB 3.89Å; L187-K277 HydrophobicContact CG-CB 4.44Å; L187-K277 WeakPolarHBondContact O-CD 3.43Å; L187-K277 WeakPolarHBondContact O-CE 3.29Å; L187-K277 PolarHBondContact O-NZ 3.01Å; G190-K277 WeakPolarHBondContact CA-O 3.41Å; G190-K277 PolarHBondContact N-O 3.46Å; G191-K277 PolarHBondContact O-N 3.14Å
278	F	93.6	Very high	96.9	Very high	142 Å²	142	25.5 Å²	25.5	62%	0.623	11%	0.109	S	C	*	.			trans	-103.6	0	172	-61.5	-57.3	0	0	0	111.3	E258 Y276	E258-F278 HydrophobicContact CB-CD2 3.52Å; E258-F278 HydrophobicContact CB-CE2 3.57Å; E258-F278 HydrophobicContact CG-CD2 4.15Å; Y276-F278 HydrophobicContact CG-CZ 4.41Å

Retrieved 278 of 278 residues in 279.7 ms (Link to these results)

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