A0A087X9E1_POEFO Loading...

Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase

Initiates complex N-linked carbohydrate formation. Essential for the conversion of high-mannose to hybrid and complex N-glycans.

AlphaFold DB , UniProt , Accession A0A087X9E1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 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	45.9	Very low	58	Low	238 Å²	238	154 Å²	154	100%	1.172	74%	0.743	S	S	*	*				0	32.9	0	-157.4	170.5	152.3	0	0	113.3
2	F	45.3	Very low	59.5	Low	200 Å²	200	144.5 Å²	144.5	88%	0.877	72%	0.716	S	S	*	*			trans	-107.2	1.6	-172.2	-90.9	-83.9	0	0	0	115.8
3	R	48.3	Very low	61.1	Low	242 Å²	242	139.8 Å²	139.8	91%	0.913	70%	0.7	S	S	*	*	S	Bend	trans	-90.6	-7.1	-173	-131.1	176.3	-178	-177.4	-0.2	115.7
4	K	50.7	Low	62.8	Low	184 Å²	184	140.1 Å²	140.1	80%	0.8	70%	0.695	S	S	*	*	S	Bend	trans	-96.3	-17.9	-174.6	-78.4	-172.7	175.1	-176.8	0	115.7
5	R	50.8	Low	64.1	Low	214 Å²	214	137.9 Å²	137.9	81%	0.808	69%	0.686	S	S	*	*	H	α-helix	trans	-82.7	-34	-176.9	-81.9	-176.4	175.3	176.7	-1.6	114.2	S7 L8	R5-S7 VanDerWaalsContact C-N 3.32Å; R5-S7 PolarHBondContact O-N 3.13Å; R5-L8 PolarHBondContact O-N 2.64Å
6	S	52.9	Low	65.2	Low	80 Å²	80	137.9 Å²	137.9	56%	0.559	68%	0.681	S	S	*	*	H	α-helix	trans	-68.8	-28.7	179.3	-57.7	0	0	0	0	113.6	L8 L10	S6-L8 VanDerWaalsContact C-N 3.35Å; S6-L8 PolarHBondContact O-N 3Å; S6-L10 PolarHBondContact O-N 3.42Å
7	S	61.2	Low	66.3	Low	83 Å²	83	135.1 Å²	135.1	58%	0.58	67%	0.673	S	S	*	*	H	α-helix	trans	-69.7	-29.7	180	-167.8	0	0	0	0	113.4	R5 C11	R5-S7 VanDerWaalsContact C-N 3.32Å; R5-S7 PolarHBondContact O-N 3.13Å; S7-C11 WeakPolarHBondContact O-CB 3.37Å; S7-C11 PolarHBondContact O-N 3.48Å
8	L	65.2	Low	67.1	Low	133 Å²	133	130.6 Å²	130.6	70%	0.696	65%	0.654	S	S	*	*	H	α-helix	trans	-76.1	-36.3	179.4	-91.2	147.1	0	0	0	112.1	R5 S6 C11 G12	R5-L8 PolarHBondContact O-N 2.64Å; S6-L8 VanDerWaalsContact C-N 3.35Å; S6-L8 PolarHBondContact O-N 3Å; L8-C11 PolarHBondContact O-N 3.15Å; L8-G12 PolarHBondContact O-N 3.22Å
9	I	73.1	Confident	67.5	Low	121 Å²	121	132.6 Å²	132.6	62%	0.621	65%	0.653	S	S	*	*	H	α-helix	trans	-71	-41.7	178.6	-60.3	172	0	0	0	110.5	G12 T13	I9-G12 PolarHBondContact O-N 3.36Å; I9-T13 WeakPolarHBondContact O-CB 3.33Å; I9-T13 PolarHBondContact O-N 3.05Å; I9-T13 PolarHBondContact O-OG1 3.24Å
10	L	71.6	Confident	68	Low	127 Å²	127	129.3 Å²	129.3	67%	0.665	64%	0.639	S	S	*	*	H	α-helix	trans	-61.7	-42.6	173.4	-94.8	145.7	0	0	0	111.9	S6 T13 F14	S6-L10 PolarHBondContact O-N 3.42Å; L10-T13 PolarHBondContact O-N 3.32Å; L10-F14 WeakPolarHBondContact O-CB 3.28Å; L10-F14 PolarHBondContact O-N 3.05Å
11	C	73.1	Confident	68.6	Low	72 Å²	72	125.5 Å²	125.5	49%	0.486	63%	0.628	S	S	.	*	H	α-helix	trans	-64.9	-42.6	177.2	-163.5	0	0	0	0	112.1	S7 L8 F14 L15	S7-C11 WeakPolarHBondContact O-CB 3.37Å; S7-C11 PolarHBondContact O-N 3.48Å; L8-C11 PolarHBondContact O-N 3.15Å; C11-F14 PolarHBondContact O-N 3.14Å; C11-L15 WeakPolarHBondContact O-CG 3.49Å; C11-L15 PolarHBondContact O-N 3.37Å
12	G	76.2	Confident	70	Confident	40 Å²	40	117.5 Å²	117.5	41%	0.412	59%	0.592	S	S	.	*	H	α-helix	trans	-65.1	-40.1	176.8	0	0	0	0	0	113.4	L8 I9 L15 F16	L8-G12 PolarHBondContact O-N 3.22Å; I9-G12 PolarHBondContact O-N 3.36Å; G12-L15 PolarHBondContact O-N 3.38Å; G12-F16 PolarHBondContact O-N 3.02Å
13	T	80.7	Confident	71.3	Confident	83 Å²	83	111.3 Å²	111.3	51%	0.509	57%	0.568	S	S	.	*	H	α-helix	trans	-67	-41.8	178.1	-48.3	0	0	0	0	110.9	I9 L10 F16 V17	I9-T13 WeakPolarHBondContact O-CB 3.33Å; I9-T13 PolarHBondContact O-N 3.05Å; I9-T13 PolarHBondContact O-OG1 3.24Å; L10-T13 PolarHBondContact O-N 3.32Å; T13-F16 PolarHBondContact O-N 3.4Å; T13-V17 WeakPolarHBondContact O-CG2 3.32Å; T13-V17 PolarHBondContact O-N 3.22Å
14	F	84.1	Confident	72.6	Confident	145 Å²	145	103.3 Å²	103.3	64%	0.636	55%	0.546	S	S	*	.	H	α-helix	trans	-62.3	-47	176.6	-173.4	-98.1	0	0	0	111.7	L10 C11 F16 V17 T18	L10-F14 WeakPolarHBondContact O-CB 3.28Å; L10-F14 PolarHBondContact O-N 3.05Å; C11-F14 PolarHBondContact O-N 3.14Å; F14-F16 VanDerWaalsContact C-N 3.33Å; F14-F16 PolarHBondContact O-N 2.89Å; F14-V17 PolarHBondContact O-N 3.32Å; F14-T18 HydrophobicContact CD1-CG2 4.11Å; F14-T18 HydrophobicContact CE1-CG2 3.74Å; F14-T18 HydrophobicContact CE2-CG2 4.35Å; F14-T18 HydrophobicContact CZ-CG2 3.87Å; F14-T18 WeakPolarHBondContact O-CG2 3.22Å; F14-T18 PolarHBondContact O-N 3.39Å; F14-T18 PolarHBondContact O-OG1 3Å
15	L	82.3	Confident	73.5	Confident	107 Å²	107	100.2 Å²	100.2	56%	0.56	54%	0.537	S	S	*	.	H	α-helix	trans	-58.1	-43.8	176.6	-78	168.1	0	0	0	112.1	C11 G12 T18 W19	C11-L15 WeakPolarHBondContact O-CG 3.49Å; C11-L15 PolarHBondContact O-N 3.37Å; G12-L15 PolarHBondContact O-N 3.38Å; L15-T18 WeakPolarHBondContact CA-OG1 3.41Å; L15-T18 PolarHBondContact O-N 3.02Å; L15-T18 PolarHBondContact O-OG1 3.48Å; L15-W19 WeakPolarHBondContact O-CB 3.44Å; L15-W19 PolarHBondContact O-N 3.45Å
16	F	81.1	Confident	74.1	Confident	138 Å²	138	95.5 Å²	95.5	61%	0.605	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-44.2	178.8	-176	-98.3	0	0	0	112.5	G12 T13 F14 W19 N20	G12-F16 PolarHBondContact O-N 3.02Å; T13-F16 PolarHBondContact O-N 3.4Å; F14-F16 VanDerWaalsContact C-N 3.33Å; F14-F16 PolarHBondContact O-N 2.89Å; F16-W19 PolarHBondContact O-N 3.04Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.32Å; F16-N20 PolarHBondContact O-N 2.95Å; F16-N20 PolarHBondContact O-ND2 3.38Å
17	V	85.1	Confident	74.7	Confident	90 Å²	90	98.2 Å²	98.2	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-43.6	178.2	174.8	0	0	0	0	110.9	T13 F14 W19 N20 A21	T13-V17 WeakPolarHBondContact O-CG2 3.32Å; T13-V17 PolarHBondContact O-N 3.22Å; F14-V17 PolarHBondContact O-N 3.32Å; V17-W19 VanDerWaalsContact C-N 3.34Å; V17-W19 PolarHBondContact O-N 3.01Å; V17-N20 PolarHBondContact O-N 3.48Å; V17-A21 PolarHBondContact O-N 3.14Å
18	T	79.6	Confident	74.4	Confident	54 Å²	54	104.1 Å²	104.1	33%	0.331	54%	0.544	S	S	.	.	H	α-helix	trans	-63.5	-38.6	177.9	51.2	0	0	0	0	112.7	F14 L15 A21 V22	F14-T18 HydrophobicContact CD1-CG2 4.11Å; F14-T18 HydrophobicContact CE1-CG2 3.74Å; F14-T18 HydrophobicContact CE2-CG2 4.35Å; F14-T18 HydrophobicContact CZ-CG2 3.87Å; F14-T18 WeakPolarHBondContact O-CG2 3.22Å; F14-T18 PolarHBondContact O-N 3.39Å; F14-T18 PolarHBondContact O-OG1 3Å; L15-T18 WeakPolarHBondContact CA-OG1 3.41Å; L15-T18 PolarHBondContact O-N 3.02Å; L15-T18 PolarHBondContact O-OG1 3.48Å; T18-A21 PolarHBondContact O-N 2.96Å; T18-V22 WeakPolarHBondContact O-CG2 3.49Å; T18-V22 PolarHBondContact O-N 2.69Å
19	W	75.3	Confident	73.4	Confident	168 Å²	168	100.7 Å²	100.7	64%	0.636	54%	0.541	S	S	*	.	H	α-helix	trans	-64.2	-42.8	177.3	-178.8	-104.6	0	0	0	112.3	L15 F16 V17 V22 L23	L15-W19 WeakPolarHBondContact O-CB 3.44Å; L15-W19 PolarHBondContact O-N 3.45Å; F16-W19 PolarHBondContact O-N 3.04Å; V17-W19 VanDerWaalsContact C-N 3.34Å; V17-W19 PolarHBondContact O-N 3.01Å; W19-V22 PolarHBondContact O-N 2.73Å; W19-L23 PolarHBondContact O-N 2.95Å; W19-L23 VanDerWaalsContact O-N 3.1Å
20	N	77.9	Confident	72	Confident	67 Å²	67	105.7 Å²	105.7	36%	0.358	55%	0.552	S	S	.	*	H	α-helix	trans	-69.3	-35.8	177.7	-76.7	-80.5	0	0	0	112.4	F16 V17 L23 V24	F16-N20 WeakPolarHBondContact CE1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.32Å; F16-N20 PolarHBondContact O-N 2.95Å; F16-N20 PolarHBondContact O-ND2 3.38Å; V17-N20 PolarHBondContact O-N 3.48Å; N20-L23 PolarHBondContact O-N 2.88Å; N20-V24 WeakPolarHBondContact O-CG2 3.3Å; N20-V24 PolarHBondContact O-N 2.93Å; N20-V24 VanDerWaalsContact O-N 3.13Å
21	A	79.3	Confident	70.3	Confident	49 Å²	49	105.8 Å²	105.8	41%	0.405	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-40.3	174.5	0	0	0	0	0	112.4	V17 T18 V24 L25	V17-A21 PolarHBondContact O-N 3.14Å; T18-A21 PolarHBondContact O-N 2.96Å; A21-V24 PolarHBondContact O-N 3.3Å; A21-L25 WeakPolarHBondContact O-CG 3.49Å; A21-L25 PolarHBondContact O-N 3.24Å
22	V	75.9	Confident	68.5	Low	71 Å²	71	107.8 Å²	107.8	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-64.1	-40	175.3	170.6	0	0	0	0	111.5	T18 W19 L25 L26	T18-V22 WeakPolarHBondContact O-CG2 3.49Å; T18-V22 PolarHBondContact O-N 2.69Å; W19-V22 PolarHBondContact O-N 2.73Å; V22-L25 PolarHBondContact O-N 2.89Å; V22-L26 HydrophobicContact CG1-CD1 3.79Å; V22-L26 HydrophobicContact CG1-CG 4.29Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 3.36Å
23	L	72.9	Confident	66.7	Low	70 Å²	70	112.3 Å²	112.3	37%	0.366	60%	0.595	S	S	.	*	H	α-helix	trans	-61.5	-43.5	175.5	-85.2	164.6	0	0	0	112.3	W19 N20 L26 L27	W19-L23 PolarHBondContact O-N 2.95Å; W19-L23 VanDerWaalsContact O-N 3.1Å; N20-L23 PolarHBondContact O-N 2.88Å; L23-L26 PolarHBondContact O-N 3.48Å; L23-L27 WeakPolarHBondContact O-CB 3.27Å; L23-L27 VanDerWaalsContact O-CG 3.23Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.06Å
24	V	75.4	Confident	64.3	Low	74 Å²	74	111.8 Å²	111.8	45%	0.448	61%	0.607	S	S	.	*	H	α-helix	trans	-64.2	-41.9	177.1	173.7	0	0	0	0	111.2	N20 A21 L27 W28	N20-V24 WeakPolarHBondContact O-CG2 3.3Å; N20-V24 PolarHBondContact O-N 2.93Å; N20-V24 VanDerWaalsContact O-N 3.13Å; A21-V24 PolarHBondContact O-N 3.3Å; V24-L27 PolarHBondContact O-N 2.9Å; V24-W28 HydrophobicContact CG1-CD2 4.24Å; V24-W28 HydrophobicContact CG1-CE3 3.89Å; V24-W28 HydrophobicContact CG1-CH2 4.43Å; V24-W28 HydrophobicContact CG1-CZ3 3.99Å; V24-W28 PolarHBondContact O-N 2.91Å
25	L	69.7	Low	61.9	Low	118 Å²	118	114.2 Å²	114.2	62%	0.618	62%	0.62	S	S	*	*	H	α-helix	trans	-66.6	-38.2	176.9	-71.8	170	0	0	0	112.8	A21 V22 L27 W28 G29	A21-L25 WeakPolarHBondContact O-CG 3.49Å; A21-L25 PolarHBondContact O-N 3.24Å; V22-L25 PolarHBondContact O-N 2.89Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-W28 PolarHBondContact O-N 3.4Å; L25-G29 PolarHBondContact O-N 2.84Å; L25-G29 VanDerWaalsContact O-N 3.08Å
26	L	62.9	Low	59.7	Low	115 Å²	115	115.4 Å²	115.4	60%	0.602	63%	0.634	S	S	*	*	H	α-helix	trans	-67.8	-33.8	175.7	-78.2	170	0	0	0	112.5	V22 L23	V22-L26 HydrophobicContact CG1-CD1 3.79Å; V22-L26 HydrophobicContact CG1-CG 4.29Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 3.36Å; L23-L26 PolarHBondContact O-N 3.48Å
27	L	66.8	Low	57.3	Low	137 Å²	137	112.5 Å²	112.5	72%	0.717	64%	0.643	S	S	*	*	H	α-helix	trans	-78.1	-29.1	177.1	-69.3	169.5	0	0	0	112.4	L23 V24 L25	L23-L27 WeakPolarHBondContact O-CB 3.27Å; L23-L27 VanDerWaalsContact O-CG 3.23Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.06Å; V24-L27 PolarHBondContact O-N 2.9Å; L25-L27 VanDerWaalsContact C-N 3.34Å
28	W	54	Low	54.7	Low	207 Å²	207	113.6 Å²	113.6	78%	0.784	66%	0.661	S	S	*	*	H	α-helix	trans	-77.1	-18.3	170.3	-88.2	-23.3	0	0	0	114.3	V24 L25 R30	V24-W28 HydrophobicContact CG1-CD2 4.24Å; V24-W28 HydrophobicContact CG1-CE3 3.89Å; V24-W28 HydrophobicContact CG1-CH2 4.43Å; V24-W28 HydrophobicContact CG1-CZ3 3.99Å; V24-W28 PolarHBondContact O-N 2.91Å; L25-W28 PolarHBondContact O-N 3.4Å; W28-R30 VanDerWaalsContact C-N 3.32Å; W28-R30 PolarHBondContact O-N 3.27Å
29	G	45.3	Very low	52.2	Low	61 Å²	61	114.7 Å²	114.7	63%	0.629	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	7.3	-178.4	0	0	0	0	0	116.5	L25	L25-G29 PolarHBondContact O-N 2.84Å; L25-G29 VanDerWaalsContact O-N 3.08Å
30	R	43.2	Very low	50.1	Low	226 Å²	226	115.3 Å²	115.3	85%	0.853	69%	0.693	S	S	*	*			trans	-117.3	79.5	-179.6	-74.4	-171	176.3	-179.1	-0.1	113	W28	W28-R30 VanDerWaalsContact C-N 3.32Å; W28-R30 PolarHBondContact O-N 3.27Å
31	T	34.4	Very low	47.8	Very low	130 Å²	130	118.7 Å²	118.7	80%	0.798	71%	0.711	S	S	*	*			trans	-140.9	126.6	151.8	50.5	0	0	0	0	104.4
32	S	35.5	Very low	45.6	Very low	114 Å²	114	123.1 Å²	123.1	80%	0.797	73%	0.728	S	S	*	*			cis	-153.7	170.2	20.4	-89.7	0	0	0	0	108
33	P	38.5	Very low	44.3	Very low	134 Å²	134	125.3 Å²	125.3	87%	0.87	74%	0.743	S	S	*	*			trans	-133.1	137.2	132.3	18.2	1.5	0	0	0	113.2
34	G	31.8	Very low	42.4	Very low	73 Å²	73	126.5 Å²	126.5	75%	0.753	76%	0.763	S	S	*	*			trans	-82.3	149	171.9	0	0	0	0	0	113.8
35	Q	32.2	Very low	40.5	Very low	196 Å²	196	128.6 Å²	128.6	92%	0.916	78%	0.781	S	S	*	*			trans	31.4	128.3	153.8	-73.2	-173.5	-29.9	0	0	122.1
36	P	37.4	Very low	38.6	Very low	132 Å²	132	131.4 Å²	131.4	86%	0.857	79%	0.793	S	S	*	*			trans	-109	151.7	156.2	35.8	-24.5	0	0	0	113.4
37	G	29.2	Very low	37.6	Very low	76 Å²	76	131.4 Å²	131.4	78%	0.784	80%	0.8	S	S	*	*			trans	-96.5	135	171.5	0	0	0	0	0	113.8
38	A	31	Very low	36.6	Very low	113 Å²	113	131.4 Å²	131.4	93%	0.934	81%	0.806	S	S	*	*			trans	54.7	117.5	147.2	0	0	0	0	0	122.4
39	G	28.1	Very low	36.8	Very low	77 Å²	77	128.9 Å²	128.9	79%	0.794	81%	0.808	S	S	*	*			trans	147.7	71.5	147.8	0	0	0	0	0	118.4
40	Q	30.2	Very low	37.6	Very low	181 Å²	181	130.2 Å²	130.2	85%	0.846	80%	0.801	S	S	*	*			trans	16.1	137.9	145.8	-104	166.7	-31	0	0	120.7
41	L	30	Very low	38.5	Very low	139 Å²	139	123.5 Å²	123.5	73%	0.728	79%	0.785	S	S	*	*			cis	-155.8	139	36.5	-96.9	106.6	0	0	0	113.4
42	D	33.2	Very low	39.9	Very low	142 Å²	142	122.2 Å²	122.2	76%	0.759	78%	0.776	S	S	*	*			trans	45.8	157.9	141.3	-69.2	-6.8	0	0	0	125.5
43	P	49.6	Very low	41.4	Very low	116 Å²	116	117.6 Å²	117.6	75%	0.753	75%	0.746	S	S	*	*			cis	-140	147.1	-35.1	36.6	-19.4	0	0	0	113.6
44	A	32.9	Very low	42.9	Very low	95 Å²	95	115.2 Å²	115.2	79%	0.785	73%	0.726	S	S	*	*			trans	-165.6	134.2	150.8	0	0	0	0	0	111.3
45	S	33.9	Very low	44.5	Very low	118 Å²	118	116.2 Å²	116.2	83%	0.825	72%	0.718	S	S	*	*			trans	-40.4	122	178.4	50.4	0	0	0	0	116
46	M	31.2	Very low	46.4	Very low	178 Å²	178	111.3 Å²	111.3	88%	0.877	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-75.2	130	169	-73.6	-94.1	-69.2	0	0	111.7
47	P	40.8	Very low	48.1	Very low	115 Å²	115	112.4 Å²	112.4	75%	0.747	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-82.8	142.1	160.1	3.4	15.6	0	0	0	110.1
48	T	46.4	Very low	50.2	Low	136 Å²	136	112.4 Å²	112.4	83%	0.834	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-70.8	129.7	174.4	47	0	0	0	0	110.9	D50	T48-D50 PolarHBondContact O-N 3.18Å; T48-D50 VanDerWaalsContact O-N 3.13Å
49	D	57.5	Low	52.1	Low	155 Å²	155	109.3 Å²	109.3	83%	0.829	64%	0.643	S	S	*	*			trans	-73.7	91.3	-176.9	-148.6	12.5	0	0	0	110.4	V51	D49-V51 WeakPolarHBondContact OD1-CG2 3.46Å
50	D	63.2	Low	54.6	Low	89 Å²	89	109.6 Å²	109.6	48%	0.476	63%	0.626	S	S	.	*			trans	-113.9	67.5	168.4	-175.1	17.2	0	0	0	110.3	T48 V52 G53 D54	T48-D50 PolarHBondContact O-N 3.18Å; T48-D50 VanDerWaalsContact O-N 3.13Å; D50-V52 PolarHBondContact O-N 3.29Å; D50-G53 PolarHBondContact O-N 3.26Å; D50-G53 PolarHBondContact OD1-N 3.4Å; D50-D54 PolarHBondContact O-N 3.48Å; D50-D54 VanDerWaalsContact O-N 3.15Å
51	V	60.5	Low	56.8	Low	85 Å²	85	104 Å²	104	52%	0.515	61%	0.607	S	S	.	*	H	α-helix	trans	-58.6	-29	177.3	-177.7	0	0	0	0	111.6	D49 D54 V55	D49-V51 WeakPolarHBondContact OD1-CG2 3.46Å; V51-D54 PolarHBondContact O-N 3.48Å; V51-V55 VanDerWaalsContact O-CG2 3.28Å; V51-V55 WeakPolarHBondContact O-CG2 3.47Å; V51-V55 PolarHBondContact O-N 3.05Å
52	V	64.4	Low	59	Low	103 Å²	103	104.2 Å²	104.2	62%	0.624	60%	0.602	S	S	*	*	H	α-helix	trans	-72.1	-43.9	179.3	-179	0	0	0	0	110.3	D50 D54 V55 I56	D50-V52 PolarHBondContact O-N 3.29Å; V52-D54 VanDerWaalsContact C-N 3.3Å; V52-D54 PolarHBondContact O-N 3.2Å; V52-V55 PolarHBondContact O-N 2.91Å; V52-I56 HydrophobicContact CG1-CD1 4.06Å; V52-I56 WeakPolarHBondContact O-CG1 3.29Å; V52-I56 PolarHBondContact O-N 2.84Å
53	G	68.4	Low	61.2	Low	16 Å²	16	103.7 Å²	103.7	17%	0.165	60%	0.595	C	S	.	*	H	α-helix	trans	-60.4	-37.3	172.8	0	0	0	0	0	113.2	D50 R57	D50-G53 PolarHBondContact O-N 3.26Å; D50-G53 PolarHBondContact OD1-N 3.4Å; G53-R57 WeakPolarHBondContact O-CG 3.47Å; G53-R57 PolarHBondContact O-N 3.46Å
54	D	68.6	Low	62.9	Low	84 Å²	84	104.3 Å²	104.3	45%	0.449	59%	0.592	S	S	.	*	H	α-helix	trans	-68	-40.9	175.9	-78.2	-24.6	0	0	0	113.2	D50 V51 V52 R57 V58	D50-D54 PolarHBondContact O-N 3.48Å; D50-D54 VanDerWaalsContact O-N 3.15Å; V51-D54 PolarHBondContact O-N 3.48Å; V52-D54 VanDerWaalsContact C-N 3.3Å; V52-D54 PolarHBondContact O-N 3.2Å; D54-R57 PolarHBondContact O-N 3.49Å; D54-R57 IonicContact OD1-CZ 3.39Å; D54-R57 IonicContact OD1-NE 3.36Å; D54-R57 PolarHBondContact OD1-NE 2.9Å; D54-R57 IonicContact OD1-NH2 2.64Å; D54-R57 PolarHBondContact OD1-NH2 3.33Å; D54-V58 WeakPolarHBondContact O-CG2 3.45Å; D54-V58 PolarHBondContact O-N 2.9Å
55	V	66.3	Low	65.1	Low	95 Å²	95	104.2 Å²	104.2	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-66.2	-39.1	176.9	172.4	0	0	0	0	111.3	V51 V52 V58 A59	V51-V55 VanDerWaalsContact O-CG2 3.28Å; V51-V55 WeakPolarHBondContact O-CG2 3.47Å; V51-V55 PolarHBondContact O-N 3.05Å; V52-V55 PolarHBondContact O-N 2.91Å; V55-V58 PolarHBondContact O-N 3.08Å; V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3.25Å
56	I	70.8	Confident	67.2	Low	93 Å²	93	102.9 Å²	102.9	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-45.3	175.9	-67.1	168.5	0	0	0	110.4	V52 V58 A59 D60	V52-I56 HydrophobicContact CG1-CD1 4.06Å; V52-I56 WeakPolarHBondContact O-CG1 3.29Å; V52-I56 PolarHBondContact O-N 2.84Å; I56-V58 VanDerWaalsContact C-N 3.29Å; I56-V58 PolarHBondContact O-N 3.42Å; I56-A59 WeakPolarHBondContact O-CB 3.47Å; I56-A59 PolarHBondContact O-N 2.96Å; I56-A59 VanDerWaalsContact O-N 3.14Å; I56-D60 VanDerWaalsContact O-CG 3.31Å; I56-D60 PolarHBondContact O-N 2.95Å
57	R	73.6	Confident	69.8	Low	154 Å²	154	99.3 Å²	99.3	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-59.6	-38.8	176	-78.4	-172.4	-77.2	-127.9	0.3	113	G53 D54 S61	G53-R57 WeakPolarHBondContact O-CG 3.47Å; G53-R57 PolarHBondContact O-N 3.46Å; D54-R57 PolarHBondContact O-N 3.49Å; D54-R57 IonicContact OD1-CZ 3.39Å; D54-R57 IonicContact OD1-NE 3.36Å; D54-R57 PolarHBondContact OD1-NE 2.9Å; D54-R57 IonicContact OD1-NH2 2.64Å; D54-R57 PolarHBondContact OD1-NH2 3.33Å; R57-S61 WeakPolarHBondContact O-CB 3.42Å; R57-S61 PolarHBondContact O-N 3.35Å
58	V	73.3	Confident	71.8	Confident	77 Å²	77	99.8 Å²	99.8	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-44	176.1	171.8	0	0	0	0	110.4	D54 V55 I56 D60 S61 F62	D54-V58 WeakPolarHBondContact O-CG2 3.45Å; D54-V58 PolarHBondContact O-N 2.9Å; V55-V58 PolarHBondContact O-N 3.08Å; I56-V58 VanDerWaalsContact C-N 3.29Å; I56-V58 PolarHBondContact O-N 3.42Å; V58-D60 PolarHBondContact O-N 3.19Å; V58-S61 PolarHBondContact O-N 3.38Å; V58-S61 PolarHBondContact O-OG 3.48Å; V58-F62 HydrophobicContact CG1-CD2 3.69Å; V58-F62 HydrophobicContact CG1-CE2 3.69Å; V58-F62 VanDerWaalsContact O-CD2 3.3Å; V58-F62 WeakPolarHBondContact O-CD2 3.27Å; V58-F62 PolarHBondContact O-N 3.35Å
59	A	71.9	Confident	73.2	Confident	47 Å²	47	98 Å²	98	39%	0.388	51%	0.512	S	S	.	.	H	α-helix	trans	-59.4	-45.8	176.2	0	0	0	0	0	112.1	V55 I56 S61 F62 E63	V55-A59 WeakPolarHBondContact O-CB 3.48Å; V55-A59 PolarHBondContact O-N 3.25Å; I56-A59 WeakPolarHBondContact O-CB 3.47Å; I56-A59 PolarHBondContact O-N 2.96Å; I56-A59 VanDerWaalsContact O-N 3.14Å; A59-S61 VanDerWaalsContact C-N 3.31Å; A59-S61 PolarHBondContact O-N 3.06Å; A59-F62 WeakPolarHBondContact O-CB 3.26Å; A59-F62 PolarHBondContact O-N 3.08Å; A59-F62 VanDerWaalsContact O-N 3.14Å; A59-E63 PolarHBondContact O-N 2.89Å
60	D	79.3	Confident	74.3	Confident	83 Å²	83	95.8 Å²	95.8	44%	0.444	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-39	176.6	-66.8	-17.8	0	0	0	111.7	I56 V58 F62 E63 L64	I56-D60 VanDerWaalsContact O-CG 3.31Å; I56-D60 PolarHBondContact O-N 2.95Å; V58-D60 PolarHBondContact O-N 3.19Å; D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.47Å; D60-E63 PolarHBondContact O-N 3.12Å; D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 2.95Å
61	S	77.9	Confident	75.4	Confident	63 Å²	63	97.3 Å²	97.3	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-35.6	175.7	79.6	0	0	0	0	112.5	R57 V58 A59 E65	R57-S61 WeakPolarHBondContact O-CB 3.42Å; R57-S61 PolarHBondContact O-N 3.35Å; V58-S61 PolarHBondContact O-N 3.38Å; V58-S61 PolarHBondContact O-OG 3.48Å; A59-S61 VanDerWaalsContact C-N 3.31Å; A59-S61 PolarHBondContact O-N 3.06Å; S61-E65 WeakPolarHBondContact O-CB 3.49Å; S61-E65 PolarHBondContact O-N 3.13Å
62	F	74.6	Confident	76.3	Confident	144 Å²	144	97.3 Å²	97.3	63%	0.632	50%	0.495	S	S	*	.	H	α-helix	trans	-70.7	-39.7	175.9	-93	-73.6	0	0	0	111.8	V58 A59 D60 E65 L66	V58-F62 HydrophobicContact CG1-CD2 3.69Å; V58-F62 HydrophobicContact CG1-CE2 3.69Å; V58-F62 VanDerWaalsContact O-CD2 3.3Å; V58-F62 WeakPolarHBondContact O-CD2 3.27Å; V58-F62 PolarHBondContact O-N 3.35Å; A59-F62 WeakPolarHBondContact O-CB 3.26Å; A59-F62 PolarHBondContact O-N 3.08Å; A59-F62 VanDerWaalsContact O-N 3.14Å; D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.47Å; F62-E65 PolarHBondContact O-N 3.44Å; F62-L66 VanDerWaalsContact O-CB 3.32Å; F62-L66 WeakPolarHBondContact O-CB 3.41Å; F62-L66 PolarHBondContact O-N 2.95Å
63	E	80.1	Confident	76.7	Confident	132 Å²	132	97.2 Å²	97.2	62%	0.617	49%	0.49	S	S	*	.	H	α-helix	trans	-64.5	-42	175.4	-75.7	-169.3	167.3	0	0	111.9	A59 D60 E65 L66 E67	A59-E63 PolarHBondContact O-N 2.89Å; D60-E63 PolarHBondContact O-N 3.12Å; E63-E65 PolarHBondContact O-N 3.37Å; E63-L66 WeakPolarHBondContact O-CB 3.23Å; E63-L66 PolarHBondContact O-N 3.03Å; E63-E67 PolarHBondContact O-N 3.39Å
64	L	84.7	Confident	77.2	Confident	129 Å²	129	100.1 Å²	100.1	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-60.1	-44.3	173.8	-96.8	154.8	0	0	0	112.4	D60 L66 E67 K68	D60-L64 WeakPolarHBondContact O-CB 3.38Å; D60-L64 PolarHBondContact O-N 2.95Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-E67 PolarHBondContact O-N 3.35Å; L64-K68 WeakPolarHBondContact O-CB 3.06Å; L64-K68 PolarHBondContact O-N 3.37Å
65	E	79.1	Confident	77.6	Confident	93 Å²	93	101 Å²	101	44%	0.435	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-35.4	177.6	-169.6	59.3	-154.1	0	0	111.4	S61 F62 E63 K68 Q69	S61-E65 WeakPolarHBondContact O-CB 3.49Å; S61-E65 PolarHBondContact O-N 3.13Å; F62-E65 PolarHBondContact O-N 3.44Å; E63-E65 PolarHBondContact O-N 3.37Å; E65-K68 PolarHBondContact O-N 2.99Å; E65-Q69 WeakPolarHBondContact O-CB 3.41Å; E65-Q69 VanDerWaalsContact O-CG 3.27Å; E65-Q69 WeakPolarHBondContact O-CG 3.45Å; E65-Q69 PolarHBondContact O-N 3.28Å
66	L	79.6	Confident	78	Confident	89 Å²	89	101.6 Å²	101.6	47%	0.466	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-42.4	176.2	-163.2	81.3	0	0	0	111.7	F62 E63 L64 K68 Q69 K70	F62-L66 VanDerWaalsContact O-CB 3.32Å; F62-L66 WeakPolarHBondContact O-CB 3.41Å; F62-L66 PolarHBondContact O-N 2.95Å; E63-L66 WeakPolarHBondContact O-CB 3.23Å; E63-L66 PolarHBondContact O-N 3.03Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-Q69 PolarHBondContact O-N 3.42Å; L66-K70 WeakPolarHBondContact O-CG 3.34Å; L66-K70 PolarHBondContact O-N 3.06Å
67	E	84.3	Confident	78.1	Confident	104 Å²	104	101.8 Å²	101.8	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-40.5	175.1	-76.6	-56.6	138.2	0	0	111.5	E63 L64 Q69 K70 E71	E63-E67 PolarHBondContact O-N 3.39Å; L64-E67 PolarHBondContact O-N 3.35Å; E67-Q69 VanDerWaalsContact C-N 3.31Å; E67-Q69 PolarHBondContact O-N 3Å; E67-K70 WeakPolarHBondContact O-CB 3.4Å; E67-K70 PolarHBondContact O-N 3.17Å; E67-K70 IonicContact OE1-NZ 2.73Å; E67-K70 PolarHBondContact OE1-NZ 3.18Å; E67-E71 PolarHBondContact O-N 2.93Å
68	K	84.2	Confident	78.2	Confident	125 Å²	125	97.9 Å²	97.9	54%	0.543	51%	0.506	S	S	.	.	H	α-helix	trans	-61.9	-39.9	174.4	-152.3	175.6	-172.1	179.9	0	111.9	L64 E65 L66 E71 I72	L64-K68 WeakPolarHBondContact O-CB 3.06Å; L64-K68 PolarHBondContact O-N 3.37Å; E65-K68 PolarHBondContact O-N 2.99Å; L66-K68 VanDerWaalsContact C-N 3.35Å; K68-E71 PolarHBondContact O-N 3.42Å; K68-I72 VanDerWaalsContact O-CG1 3.29Å; K68-I72 WeakPolarHBondContact O-CG1 3.42Å; K68-I72 PolarHBondContact O-N 3.35Å
69	Q	75.1	Confident	77.8	Confident	99 Å²	99	99.1 Å²	99.1	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-39.2	174.3	-74.5	177.4	10.3	0	0	112.5	E65 L66 E67 E71 I72 L73	E65-Q69 WeakPolarHBondContact O-CB 3.41Å; E65-Q69 VanDerWaalsContact O-CG 3.27Å; E65-Q69 WeakPolarHBondContact O-CG 3.45Å; E65-Q69 PolarHBondContact O-N 3.28Å; L66-Q69 PolarHBondContact O-N 3.42Å; E67-Q69 VanDerWaalsContact C-N 3.31Å; E67-Q69 PolarHBondContact O-N 3Å; Q69-E71 VanDerWaalsContact C-N 3.33Å; Q69-I72 PolarHBondContact O-N 3.1Å; Q69-L73 WeakPolarHBondContact O-CB 3.42Å; Q69-L73 PolarHBondContact O-N 2.8Å
70	K	80.4	Confident	77.3	Confident	107 Å²	107	105.5 Å²	105.5	47%	0.465	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-40.2	173.8	-75.9	178.6	-169.4	165.3	0	111.6	L66 E67 L73 S74	L66-K70 WeakPolarHBondContact O-CG 3.34Å; L66-K70 PolarHBondContact O-N 3.06Å; E67-K70 WeakPolarHBondContact O-CB 3.4Å; E67-K70 PolarHBondContact O-N 3.17Å; E67-K70 IonicContact OE1-NZ 2.73Å; E67-K70 PolarHBondContact OE1-NZ 3.18Å; K70-L73 WeakPolarHBondContact O-CB 3.35Å; K70-L73 PolarHBondContact O-N 3.02Å; K70-S74 WeakPolarHBondContact O-CB 3.41Å; K70-S74 PolarHBondContact O-N 2.59Å
71	E	86	Confident	76	Confident	122 Å²	122	105.4 Å²	105.4	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-66.1	-43.5	178.6	-167.2	168.7	-167.9	0	0	111.5	E67 K68 Q69 L73 S74 Q75	E67-E71 PolarHBondContact O-N 2.93Å; K68-E71 PolarHBondContact O-N 3.42Å; Q69-E71 VanDerWaalsContact C-N 3.33Å; E71-L73 VanDerWaalsContact C-N 3.31Å; E71-L73 PolarHBondContact O-N 3.34Å; E71-S74 WeakPolarHBondContact O-CB 3.46Å; E71-S74 PolarHBondContact O-N 2.94Å; E71-Q75 WeakPolarHBondContact O-CG 3.38Å; E71-Q75 PolarHBondContact O-N 3.29Å
72	I	80.3	Confident	75.1	Confident	85 Å²	85	109.1 Å²	109.1	44%	0.436	54%	0.541	S	S	.	.	H	α-helix	trans	-58.7	-44.2	172	-68.4	165.7	0	0	0	110.7	K68 Q69 S74 Q75 I76	K68-I72 VanDerWaalsContact O-CG1 3.29Å; K68-I72 WeakPolarHBondContact O-CG1 3.42Å; K68-I72 PolarHBondContact O-N 3.35Å; Q69-I72 PolarHBondContact O-N 3.1Å; I72-S74 VanDerWaalsContact C-N 3.35Å; I72-S74 PolarHBondContact O-N 3.47Å; I72-Q75 PolarHBondContact O-N 2.99Å; I72-I76 HydrophobicContact CG2-CD1 3.84Å; I72-I76 HydrophobicContact CG2-CG1 4.49Å; I72-I76 VanDerWaalsContact O-CG1 3.27Å; I72-I76 WeakPolarHBondContact O-CG1 3.37Å; I72-I76 PolarHBondContact O-N 2.87Å
73	L	73	Confident	74	Confident	100 Å²	100	112.3 Å²	112.3	52%	0.524	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-40.7	176.7	-105.5	150.7	0	0	0	112.3	Q69 K70 E71 I76 L77	Q69-L73 WeakPolarHBondContact O-CB 3.42Å; Q69-L73 PolarHBondContact O-N 2.8Å; K70-L73 WeakPolarHBondContact O-CB 3.35Å; K70-L73 PolarHBondContact O-N 3.02Å; E71-L73 VanDerWaalsContact C-N 3.31Å; E71-L73 PolarHBondContact O-N 3.34Å; L73-I76 PolarHBondContact O-N 3.43Å; L73-L77 WeakPolarHBondContact O-CB 3.44Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 2.75Å
74	S	77.9	Confident	72.4	Confident	77 Å²	77	113.8 Å²	113.8	54%	0.538	55%	0.553	S	S	.	*	H	α-helix	trans	-64.3	-40.9	175.8	-169.1	0	0	0	0	111.6	K70 E71 I72 L77 S78	K70-S74 WeakPolarHBondContact O-CB 3.41Å; K70-S74 PolarHBondContact O-N 2.59Å; E71-S74 WeakPolarHBondContact O-CB 3.46Å; E71-S74 PolarHBondContact O-N 2.94Å; I72-S74 VanDerWaalsContact C-N 3.35Å; I72-S74 PolarHBondContact O-N 3.47Å; S74-L77 PolarHBondContact O-N 3.06Å; S74-S78 WeakPolarHBondContact O-CB 3.33Å; S74-S78 PolarHBondContact O-N 2.77Å; S74-S78 PolarHBondContact O-OG 3.38Å
75	Q	78.4	Confident	70.4	Confident	104 Å²	104	113.3 Å²	113.3	49%	0.486	56%	0.558	S	S	.	*	H	α-helix	trans	-65.1	-38.9	173.8	-70.9	178.3	2.4	0	0	112.6	E71 I72 L77 S78 H79	E71-Q75 WeakPolarHBondContact O-CG 3.38Å; E71-Q75 PolarHBondContact O-N 3.29Å; I72-Q75 PolarHBondContact O-N 2.99Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-S78 PolarHBondContact O-N 3.05Å; Q75-S78 PolarHBondContact O-OG 3.03Å; Q75-H79 WeakPolarHBondContact O-CB 3.49Å; Q75-H79 PolarHBondContact O-N 3.45Å; Q75-H79 VanDerWaalsContact O-N 3.12Å
76	I	73.3	Confident	69	Low	106 Å²	106	112.8 Å²	112.8	54%	0.544	57%	0.569	S	S	.	*	H	α-helix	trans	-64.9	-40.8	173.7	-68.9	166	0	0	0	110.5	I72 L73 H79 R80	I72-I76 HydrophobicContact CG2-CD1 3.84Å; I72-I76 HydrophobicContact CG2-CG1 4.49Å; I72-I76 VanDerWaalsContact O-CG1 3.27Å; I72-I76 WeakPolarHBondContact O-CG1 3.37Å; I72-I76 PolarHBondContact O-N 2.87Å; L73-I76 PolarHBondContact O-N 3.43Å; I76-H79 PolarHBondContact O-N 3.03Å; I76-R80 PolarHBondContact O-N 3.45Å
77	L	73.2	Confident	67.3	Low	97 Å²	97	118.7 Å²	118.7	51%	0.508	59%	0.591	S	S	.	*	H	α-helix	trans	-70.2	-35.6	178.8	-73.7	169.2	0	0	0	112.6	L73 S74 Q75 H79 R80	L73-L77 WeakPolarHBondContact O-CB 3.44Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 2.75Å; S74-L77 PolarHBondContact O-N 3.06Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; L77-H79 VanDerWaalsContact C-N 3.35Å; L77-R80 WeakPolarHBondContact O-CB 3.43Å; L77-R80 PolarHBondContact O-N 3.37Å
78	S	75.1	Confident	65.4	Low	72 Å²	72	124.7 Å²	124.7	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-70.2	-32.5	176.1	72.1	0	0	0	0	112	S74 Q75 R80	S74-S78 WeakPolarHBondContact O-CB 3.33Å; S74-S78 PolarHBondContact O-N 2.77Å; S74-S78 PolarHBondContact O-OG 3.38Å; Q75-S78 PolarHBondContact O-N 3.05Å; Q75-S78 PolarHBondContact O-OG 3.03Å; S78-R80 VanDerWaalsContact C-N 3.3Å; S78-R80 PolarHBondContact O-N 3.48Å
79	H	65.8	Low	63.3	Low	104 Å²	104	128 Å²	128	48%	0.481	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-82.7	-0.7	173.5	-65.6	167.4	0	0	0	113.9	Q75 I76 L77 S81 L82 W83	Q75-H79 WeakPolarHBondContact O-CB 3.49Å; Q75-H79 PolarHBondContact O-N 3.45Å; Q75-H79 VanDerWaalsContact O-N 3.12Å; I76-H79 PolarHBondContact O-N 3.03Å; L77-H79 VanDerWaalsContact C-N 3.35Å; H79-S81 PolarHBondContact O-N 3Å; H79-S81 VanDerWaalsContact O-N 3.08Å; H79-L82 WeakPolarHBondContact O-CB 3.44Å; H79-L82 PolarHBondContact O-N 2.89Å; H79-W83 VanDerWaalsContact O-CD1 3.26Å
80	R	60.5	Low	61.6	Low	180 Å²	180	135 Å²	135	68%	0.679	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-59.4	-23.4	-179.6	-163.8	178.4	-173.6	-174.7	2.7	113.7	I76 L77 S78 W83	I76-R80 PolarHBondContact O-N 3.45Å; L77-R80 WeakPolarHBondContact O-CB 3.43Å; L77-R80 PolarHBondContact O-N 3.37Å; S78-R80 VanDerWaalsContact C-N 3.3Å; S78-R80 PolarHBondContact O-N 3.48Å; R80-W83 PolarHBondContact O-N 2.96Å
81	S	53.4	Low	59.8	Low	82 Å²	82	135.9 Å²	135.9	57%	0.573	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-72.3	-26.5	174.6	58.3	0	0	0	0	113.6	H79 W83	H79-S81 PolarHBondContact O-N 3Å; H79-S81 VanDerWaalsContact O-N 3.08Å; S81-W83 VanDerWaalsContact C-N 3.32Å
82	L	57.5	Low	57.6	Low	140 Å²	140	138.7 Å²	138.7	73%	0.733	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-16.8	173.4	-65.3	167.3	0	0	0	112.5	H79	H79-L82 WeakPolarHBondContact O-CB 3.44Å; H79-L82 PolarHBondContact O-N 2.89Å
83	W	51.9	Low	55.8	Low	212 Å²	212	140.6 Å²	140.6	80%	0.803	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	17.7	178.4	-66.4	65	0	0	0	112.4	H79 R80 S81 P85	H79-W83 VanDerWaalsContact O-CD1 3.26Å; R80-W83 PolarHBondContact O-N 2.96Å; S81-W83 VanDerWaalsContact C-N 3.32Å; W83-P85 WeakPolarHBondContact O-CD 3.33Å
84	K	46.9	Very low	54.5	Low	163 Å²	163	142.7 Å²	142.7	71%	0.709	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-63.9	119.8	163.9	-80.3	-175.3	177.8	177.2	0	107.3	A86	K84-A86 PolarHBondContact O-N 2.75Å
85	P	43.6	Very low	53.2	Low	118 Å²	118	144.7 Å²	144.7	77%	0.766	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60.8	120	174.7	-11.3	24.6	0	0	0	106.6	W83 K87	W83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-K87 PolarHBondContact O-N 3.25Å
86	A	48.6	Very low	52.6	Low	82 Å²	82	145 Å²	145	68%	0.678	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-46.6	135.3	154.6	0	0	0	0	0	106.2	K84 R88	K84-A86 PolarHBondContact O-N 2.75Å; A86-R88 PolarHBondContact O-N 3.46Å
87	K	44.3	Very low	52.8	Low	213 Å²	213	144.9 Å²	144.9	93%	0.926	73%	0.726	S	S	*	*			trans	-59.5	74.2	173.9	-78.8	-178.8	176.4	176.2	0	109.3	P85 K89	P85-K87 PolarHBondContact O-N 3.25Å; K87-K89 PolarHBondContact O-N 3.39Å
88	R	45.3	Very low	53.5	Low	230 Å²	230	143.9 Å²	143.9	87%	0.868	73%	0.725	S	S	*	*			trans	-68.7	110.3	164.4	-90.3	-178.7	159.6	176.8	-5.3	103.9	A86 R90	A86-R88 PolarHBondContact O-N 3.46Å; R88-R90 PolarHBondContact O-N 2.97Å
89	K	39.4	Very low	54.4	Low	195 Å²	195	142.9 Å²	142.9	85%	0.848	72%	0.717	S	S	*	*			trans	-38.3	119.1	160.5	-76	179.2	174.8	178	0	106.4	K87 V91	K87-K89 PolarHBondContact O-N 3.39Å; K89-V91 VanDerWaalsContact C-N 3.28Å; K89-V91 PolarHBondContact O-N 3.17Å
90	R	39.8	Very low	55.9	Low	247 Å²	247	140.5 Å²	140.5	93%	0.932	71%	0.71	S	S	*	*			trans	-51.7	102	168.6	-94.8	179.5	167.8	173.1	-4.3	105.8	R88 K92	R88-R90 PolarHBondContact O-N 2.97Å; R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 2.89Å
91	V	42.3	Very low	57.7	Low	125 Å²	125	132 Å²	132	76%	0.758	68%	0.677	S	S	*	*			trans	-63.7	107.6	162.8	179.9	0	0	0	0	102.8	K89 V93	K89-V91 VanDerWaalsContact C-N 3.28Å; K89-V91 PolarHBondContact O-N 3.17Å; V91-V93 VanDerWaalsContact C-N 3.3Å; V91-V93 PolarHBondContact O-N 3.47Å
92	K	39.5	Very low	59.9	Low	181 Å²	181	128 Å²	128	79%	0.787	65%	0.65	S	S	*	*			trans	-54.4	107.1	164	-81.4	-177.7	175.2	-178.3	0	104.5	R90 N94	R90-K92 VanDerWaalsContact C-N 3.33Å; R90-K92 PolarHBondContact O-N 2.89Å; K92-N94 PolarHBondContact O-N 2.84Å
93	V	43.2	Very low	61.8	Low	125 Å²	125	121.5 Å²	121.5	76%	0.758	62%	0.616	S	S	*	*			trans	-63.5	98.2	164	178.5	0	0	0	0	103.7	V91 V95	V91-V93 VanDerWaalsContact C-N 3.3Å; V91-V93 PolarHBondContact O-N 3.47Å; V93-V95 HydrophobicContact CG1-CG2 4.21Å; V93-V95 PolarHBondContact O-N 3.39Å
94	N	43.9	Very low	64.1	Low	143 Å²	143	111.4 Å²	111.4	77%	0.765	58%	0.577	S	S	*	*			trans	-72	85.9	175.1	-134.8	21.4	0	0	0	104.4	K92 P96	K92-N94 PolarHBondContact O-N 2.84Å; N94-P96 WeakPolarHBondContact O-CD 3.34Å; N94-P96 VanDerWaalsContact O-N 3.1Å
95	V	51.4	Low	66.6	Low	119 Å²	119	103.6 Å²	103.6	72%	0.721	54%	0.544	S	S	*	.			trans	-60.5	114.7	168.2	179.5	0	0	0	0	104.5	V93 S97	V93-V95 HydrophobicContact CG1-CG2 4.21Å; V93-V95 PolarHBondContact O-N 3.39Å; V95-S97 PolarHBondContact O-N 3.13Å
96	P	66.1	Low	69.2	Low	111 Å²	111	98.7 Å²	98.7	72%	0.721	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-57.5	130.4	-179.6	-20	31.7	0	0	0	107.9	N94	N94-P96 WeakPolarHBondContact O-CD 3.34Å; N94-P96 VanDerWaalsContact O-N 3.1Å
97	S	77.8	Confident	71.6	Confident	103 Å²	103	94.9 Å²	94.9	72%	0.72	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-53.3	137.7	169.5	48.6	0	0	0	0	108.8	V95	V95-S97 PolarHBondContact O-N 3.13Å
98	P	87.5	Confident	74.2	Confident	76 Å²	76	86.2 Å²	86.2	49%	0.494	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-53.3	140.6	177.2	-22.5	31.2	0	0	0	110.3	V100 L129	P98-V100 PolarHBondContact O-N 2.87Å; P98-L129 HydrophobicContact CB-CD2 3.98Å
99	P	93	Very high	76.7	Confident	51 Å²	51	79.6 Å²	79.6	33%	0.331	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.9	138.8	-176.4	21.9	-30.6	0	0	0	110.8	R218	P99-R218 VanDerWaalsContact O-CZ 3.27Å; P99-R218 PolarHBondContact O-NH1 3.46Å; P99-R218 PolarHBondContact O-NH2 3.3Å
100	V	98.1	Very high	79.4	Confident	55 Å²	55	72.7 Å²	72.7	33%	0.333	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-77.4	126.2	171	178.3	0	0	0	0	108.3	P98 E128 P131	P98-V100 PolarHBondContact O-N 2.87Å; V100-E128 WeakPolarHBondContact CG1-O 3.41Å; V100-P131 VanDerWaalsContact CG1-CD 3.48Å; V100-P131 HydrophobicContact CG1-CG 3.76Å
101	I	98.6	Very high	82.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.371	C	S	.	.			trans	-119.5	91.8	-179	-56.2	171.1	0	0	0	107.4	L129 Y130 V201 H221 M265	I101-L129 PolarHBondContact N-O 3.23Å; I101-Y130 HydrophobicContact CB-CD1 4.16Å; I101-Y130 HydrophobicContact CB-CE1 4.23Å; I101-Y130 HydrophobicContact CD1-CE1 4.46Å; I101-Y130 WeakPolarHBondContact O-CA 3.3Å; I101-Y130 WeakPolarHBondContact O-CD1 3.47Å; I101-V201 HydrophobicContact CG2-CG2 3.75Å; I101-H221 HydrophobicContact CD1-CB 3.9Å; I101-M265 HydrophobicContact CD1-CE 4.1Å; I101-M265 HydrophobicContact CG2-CE 3.82Å
102	P	98.8	Very high	84.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.355	C	S	.	.			trans	-61.7	147.7	178.2	27.2	-36.5	0	0	0	111.8	P131 I133 V191 H197 S199 V200 V201	P102-P131 CarbonylContact C-O 3.55Å; P102-P131 VanDerWaalsContact CA-O 3.31Å; P102-P131 WeakPolarHBondContact CA-O 3.48Å; P102-P131 HydrophobicContact CB-CG 4.09Å; P102-I133 HydrophobicContact CB-CD1 3.9Å; P102-V191 HydrophobicContact CG-CG1 4.1Å; P102-H197 HydrophobicContact CG-CB 3.86Å; P102-S199 WeakPolarHBondContact CD-O 3.12Å; P102-S199 VanDerWaalsContact CG-O 3.23Å; P102-S199 WeakPolarHBondContact CG-O 3.17Å; P102-V200 HydrophobicContact CG-CB 4.1Å; P102-V200 HydrophobicContact CG-CG2 4.06Å; P102-V201 PolarHBondContact O-N 3.11Å
103	I	98.9	Very high	87.7	Confident	2 Å²	2	53 Å²	53	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.4	167.2	-48.9	-54.5	0	0	0	108.1	V105 L120 P131 I132 I133 V201 V203 F213 F214	I103-V105 HydrophobicContact CG2-CG2 4.27Å; I103-L120 HydrophobicContact CG2-CD1 4.11Å; I103-L120 HydrophobicContact CG2-CD2 4.05Å; I103-P131 PolarHBondContact N-O 3.04Å; I103-I132 HydrophobicContact CB-CG1 4.2Å; I103-I132 HydrophobicContact CG1-CG1 4.38Å; I103-I133 PolarHBondContact O-N 3.05Å; I103-V201 CarbonylContact C-O 3.4Å; I103-V201 WeakPolarHBondContact CA-O 3.3Å; I103-V201 HydrophobicContact CD1-CB 3.77Å; I103-V201 HydrophobicContact CD1-CG1 4.26Å; I103-V201 HydrophobicContact CD1-CG2 4.28Å; I103-V203 HydrophobicContact CG2-CB 4.46Å; I103-V203 HydrophobicContact CG2-CG2 3.82Å; I103-F213 HydrophobicContact CD1-CE1 4.22Å; I103-F214 HydrophobicContact CD1-CD1 4.31Å; I103-F214 HydrophobicContact CD1-CE1 3.83Å; I103-F214 HydrophobicContact CG1-CE1 3.71Å; I103-F214 HydrophobicContact CG1-CZ 4.39Å
104	L	98.9	Very high	90.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.2	173.6	175.7	62.3	0	0	0	109.5	I106 I133 A187 L188 V191 V200 V201 I202 V203	L104-I106 HydrophobicContact CD1-CD1 4.33Å; L104-I106 HydrophobicContact CD2-CD1 3.93Å; L104-I106 HydrophobicContact CG-CD1 3.89Å; L104-I133 CarbonylContact C-O 3.48Å; L104-I133 WeakPolarHBondContact CA-O 3.26Å; L104-I133 HydrophobicContact CD1-CB 4.41Å; L104-I133 HydrophobicContact CD1-CG2 4.13Å; L104-A187 HydrophobicContact CD1-CB 4.3Å; L104-A187 HydrophobicContact CD2-CB 4.02Å; L104-L188 HydrophobicContact CD2-CD2 3.9Å; L104-L188 HydrophobicContact CD2-CG 4.36Å; L104-V191 HydrophobicContact CB-CG2 4.37Å; L104-V191 HydrophobicContact CD1-CG2 4.14Å; L104-V191 HydrophobicContact CD2-CG2 4.03Å; L104-V191 HydrophobicContact CG-CG2 4.41Å; L104-V200 HydrophobicContact CB-CG2 3.49Å; L104-V200 VanDerWaalsContact CB-CG2 3.49Å; L104-V201 PolarHBondContact N-O 2.89Å; L104-I202 HydrophobicContact CD2-CG1 4.38Å; L104-I202 WeakPolarHBondContact O-CA 3.37Å; L104-V203 PolarHBondContact O-N 3.31Å
105	V	98.9	Very high	92.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.6	172.7	-176.7	0	0	0	0	109.4	I103 V113 L117 L120 I132 I133 V134 S135 V203	I103-V105 HydrophobicContact CG2-CG2 4.27Å; V105-V113 HydrophobicContact CG1-CG2 4.37Å; V105-L117 HydrophobicContact CG1-CD2 4.48Å; V105-L117 HydrophobicContact CG2-CD2 4.03Å; V105-L120 HydrophobicContact CG2-CD1 3.62Å; V105-I132 HydrophobicContact CG2-CG2 4.13Å; V105-I133 PolarHBondContact N-O 3.36Å; V105-V134 HydrophobicContact CB-CG1 4.34Å; V105-V134 HydrophobicContact CB-CG2 4.27Å; V105-V134 HydrophobicContact CG1-CG1 4.41Å; V105-S135 PolarHBondContact O-N 3.15Å; V105-V203 CarbonylContact C-O 3.54Å; V105-V203 VanDerWaalsContact CA-O 3.23Å; V105-V203 WeakPolarHBondContact CA-O 3.33Å
106	I	98.9	Very high	95.2	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.072	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.2	174.7	-57.3	-60.6	0	0	0	108.4	L104 Y184 A187 I202 V203 D205	L104-I106 HydrophobicContact CD1-CD1 4.33Å; L104-I106 HydrophobicContact CD2-CD1 3.93Å; L104-I106 HydrophobicContact CG-CD1 3.89Å; I106-Y184 HydrophobicContact CG1-CE1 4.21Å; I106-Y184 HydrophobicContact CG1-CE2 4.24Å; I106-Y184 HydrophobicContact CG2-CD2 4.35Å; I106-Y184 HydrophobicContact CG2-CE2 3.92Å; I106-A187 HydrophobicContact CD1-CB 3.81Å; I106-I202 HydrophobicContact CG1-CG2 3.85Å; I106-V203 PolarHBondContact N-O 3.19Å; I106-D205 WeakPolarHBondContact O-CB 3.32Å; I106-D205 PolarHBondContact O-N 3.21Å
107	A	98.8	Very high	96.7	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	161.4	-178.1	0	0	0	0	0	112.1	V113 V134 S135 Q136 D137 I147 H183 D205	A107-V113 HydrophobicContact CB-CG2 4.14Å; A107-V134 HydrophobicContact CB-CG1 4.06Å; A107-S135 PolarHBondContact N-O 3.13Å; A107-Q136 HydrophobicContact CB-CG 4.42Å; A107-Q136 CarbonylContact O-C 3.6Å; A107-Q136 WeakPolarHBondContact O-CA 3.45Å; A107-D137 PolarHBondContact O-N 3.37Å; A107-I147 HydrophobicContact CB-CD1 4.3Å; A107-H183 PolarHBondContact O-CE1 2.97Å; A107-D205 HydrophobicContact CB-CB 3.97Å
108	C	98.5	Very high	97.7	Very high	31 Å²	31	38 Å²	38	21%	0.209	20%	0.199	C	C	.	.	S	Bend	trans	-143.1	-91.9	177.7	161.3	0	0	0	0	110.2	Q136 C138	C108-Q136 PolarHBondContact O-NE2 3.21Å; C108-Q136 VanDerWaalsContact O-NE2 3.08Å; C108-C138 HydrophobicContact CB-CB 4.03Å; C108-C138 WeakPolarHBondContact CB-SG 3.33Å; C108-C138 WeakPolarHBondContact SG-CB 3.31Å; C108-C138 CovalentContact SG-SG 2.01Å; C108-C138 PolarHBondContact SG-SG 3.41Å
109	N	97.5	Very high	98.3	Very high	91 Å²	91	37 Å²	37	49%	0.487	19%	0.187	S	C	.	.	S	Bend	trans	-127.8	20.7	-168.2	67.4	-14.4	0	0	0	113.8	C138 H140	N109-C138 HydrophobicContact CB-CB 4.31Å; N109-H140 HydrophobicContact CB-CB 3.64Å; N109-H140 PolarHBondContact O-CE1 3.11Å; N109-H140 PolarHBondContact O-ND1 2.81Å
110	R	97.6	Very high	98.5	Very high	51 Å²	51	34.6 Å²	34.6	19%	0.192	17%	0.172	C	C	.	.			trans	-107.9	114.7	178.7	-62.2	-173.3	-75.4	-170.5	-0.7	110.6	T112 V113 T143 D205 D206 Q312	R110-T112 PolarHBondContact O-N 3.1Å; R110-V113 WeakPolarHBondContact O-CG1 3.03Å; R110-V113 PolarHBondContact O-N 3.35Å; R110-V113 VanDerWaalsContact O-N 3.15Å; R110-T143 VanDerWaalsContact C-OG1 3.25Å; R110-T143 PolarHBondContact N-OG1 3.28Å; R110-T143 PolarHBondContact O-OG1 2.87Å; R110-D205 IonicContact CZ-OD1 3.33Å; R110-D205 VanDerWaalsContact CZ-OD1 3.24Å; R110-D205 IonicContact NE-OD1 3.61Å; R110-D205 PolarHBondContact NE-OD1 3.49Å; R110-D205 IonicContact NE-OD2 3.59Å; R110-D205 IonicContact NH2-OD1 2.86Å; R110-D205 PolarHBondContact NH2-OD1 3.35Å; R110-D206 IonicContact CZ-OD2 2.73Å; R110-D206 IonicContact NH1-OD2 2.83Å; R110-D206 PolarHBondContact NH1-OD2 2.89Å; R110-D206 VanDerWaalsContact NH2-CG 3.29Å; R110-D206 IonicContact NH2-OD2 3.44Å; R110-D206 PolarHBondContact NH2-OD2 2.78Å; R110-Q312 PolarHBondContact NH1-O 3.35Å
111	V	98	Very high	98.6	Very high	70 Å²	70	33.6 Å²	33.6	42%	0.424	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.4	175.6	-63.5	0	0	0	0	112.4	V113 R114 A142 T143 V146	V111-V113 PolarHBondContact O-N 3.45Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V111-R114 WeakPolarHBondContact O-CB 3.49Å; V111-R114 PolarHBondContact O-N 3.48Å; V111-A142 HydrophobicContact CG1-CB 3.91Å; V111-T143 PolarHBondContact N-OG1 2.99Å; V111-V146 HydrophobicContact CB-CG2 4.21Å; V111-V146 HydrophobicContact CG1-CG2 4.36Å
112	T	98	Very high	98.6	Very high	69 Å²	69	39.6 Å²	39.6	42%	0.423	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.6	173.6	55.5	0	0	0	0	113.6	R110 R114 R115	R110-T112 PolarHBondContact O-N 3.1Å; T112-R114 PolarHBondContact O-N 3.01Å; T112-R115 WeakPolarHBondContact O-CB 3.39Å; T112-R115 PolarHBondContact O-N 3.27Å
113	V	98.6	Very high	98.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-49	-27.1	164.2	69.2	0	0	0	0	111.8	V105 A107 R110 V111 R115 C116 L117 T143 V146 I147 D205	V105-V113 HydrophobicContact CG1-CG2 4.37Å; A107-V113 HydrophobicContact CB-CG2 4.14Å; R110-V113 WeakPolarHBondContact O-CG1 3.03Å; R110-V113 PolarHBondContact O-N 3.35Å; R110-V113 VanDerWaalsContact O-N 3.15Å; V111-V113 PolarHBondContact O-N 3.45Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V113-R115 VanDerWaalsContact C-N 3.29Å; V113-R115 PolarHBondContact O-N 3.5Å; V113-C116 WeakPolarHBondContact O-CB 3.33Å; V113-C116 PolarHBondContact O-N 3.4Å; V113-C116 VanDerWaalsContact O-N 3.15Å; V113-L117 HydrophobicContact CG2-CD1 4.01Å; V113-L117 HydrophobicContact CG2-CG 4.07Å; V113-L117 WeakPolarHBondContact O-CG 3.38Å; V113-L117 PolarHBondContact O-N 3.49Å; V113-T143 HydrophobicContact CG1-CG2 3.96Å; V113-V146 HydrophobicContact CG1-CG1 3.86Å; V113-I147 HydrophobicContact CG1-CG1 4.1Å; V113-D205 HydrophobicContact CB-CB 3.88Å; V113-D205 HydrophobicContact CG2-CB 3.68Å
114	R	98.8	Very high	98.6	Very high	107 Å²	107	43.7 Å²	43.7	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-48.8	-48.4	170	175.2	171.8	-64.8	-76.6	0.5	112.4	V111 T112 C116 L117 D118 V146 S149 Y150	V111-R114 WeakPolarHBondContact O-CB 3.49Å; V111-R114 PolarHBondContact O-N 3.48Å; T112-R114 PolarHBondContact O-N 3.01Å; R114-C116 VanDerWaalsContact C-N 3.34Å; R114-C116 PolarHBondContact O-N 3.34Å; R114-L117 PolarHBondContact O-N 2.9Å; R114-D118 VanDerWaalsContact CG-OD2 3.23Å; R114-D118 WeakPolarHBondContact CG-OD2 3.41Å; R114-D118 VanDerWaalsContact O-CB 3.31Å; R114-D118 WeakPolarHBondContact O-CB 3.15Å; R114-D118 PolarHBondContact O-N 2.9Å; R114-V146 HydrophobicContact CB-CG1 3.86Å; R114-S149 PolarHBondContact NH2-OG 3.35Å; R114-Y150 WeakPolarHBondContact CA-OH 3.38Å; R114-Y150 WeakPolarHBondContact CG-OH 3.32Å; R114-Y150 PolarHBondContact O-OH 2.88Å
115	R	98.4	Very high	98.5	Very high	106 Å²	106	48.1 Å²	48.1	40%	0.4	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-41	-179.4	179	177.4	175.1	178.2	-0.2	112.2	T112 V113 K119 E208 F309	T112-R115 WeakPolarHBondContact O-CB 3.39Å; T112-R115 PolarHBondContact O-N 3.27Å; V113-R115 VanDerWaalsContact C-N 3.29Å; V113-R115 PolarHBondContact O-N 3.5Å; R115-K119 WeakPolarHBondContact O-CG 3.11Å; R115-K119 PolarHBondContact O-N 2.8Å; R115-E208 IonicContact CZ-OE2 2.76Å; R115-E208 IonicContact NE-OE2 2.93Å; R115-E208 PolarHBondContact NE-OE2 3.47Å; R115-E208 IonicContact NH2-OE2 3.83Å; R115-E208 PolarHBondContact NH2-OE2 3.33Å; R115-F309 HydrophobicContact CB-CE1 4.14Å; R115-F309 HydrophobicContact CB-CE2 4.3Å; R115-F309 HydrophobicContact CB-CZ 3.78Å; R115-F309 HydrophobicContact CG-CD1 4.26Å; R115-F309 HydrophobicContact CG-CE1 3.73Å; R115-F309 HydrophobicContact CG-CZ 3.9Å
116	C	98.8	Very high	98.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-50.3	176.2	175.2	0	0	0	0	111	V113 R114 K119 L120 D205 L207 F309	V113-C116 WeakPolarHBondContact O-CB 3.33Å; V113-C116 PolarHBondContact O-N 3.4Å; V113-C116 VanDerWaalsContact O-N 3.15Å; R114-C116 VanDerWaalsContact C-N 3.34Å; R114-C116 PolarHBondContact O-N 3.34Å; C116-K119 PolarHBondContact O-N 3.49Å; C116-L120 WeakPolarHBondContact O-CG 3.3Å; C116-L120 PolarHBondContact O-N 2.97Å; C116-D205 WeakPolarHBondContact CB-O 3.46Å; C116-L207 WeakPolarHBondContact CA-O 3.2Å; C116-L207 VanDerWaalsContact CB-O 3.23Å; C116-L207 WeakPolarHBondContact CB-O 3.35Å; C116-L207 PolarHBondContact SG-O 3.45Å; C116-L207 VanDerWaalsContact SG-O 3.34Å; C116-F309 HydrophobicContact CB-CZ 4.32Å
117	L	98.9	Very high	98.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-42.2	-178.2	-66.8	177.1	0	0	0	113.2	V105 V113 R114 K119 L120 L121 I132 V134 I147 Y150 V154	V105-L117 HydrophobicContact CG1-CD2 4.48Å; V105-L117 HydrophobicContact CG2-CD2 4.03Å; V113-L117 HydrophobicContact CG2-CD1 4.01Å; V113-L117 HydrophobicContact CG2-CG 4.07Å; V113-L117 WeakPolarHBondContact O-CG 3.38Å; V113-L117 PolarHBondContact O-N 3.49Å; R114-L117 PolarHBondContact O-N 2.9Å; L117-K119 VanDerWaalsContact C-N 3.29Å; L117-K119 PolarHBondContact O-N 2.64Å; L117-L120 PolarHBondContact O-N 3.12Å; L117-L121 WeakPolarHBondContact O-CB 3.12Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.39Å; L117-L121 PolarHBondContact O-N 2.95Å; L117-I132 HydrophobicContact CD2-CG2 4.13Å; L117-V134 HydrophobicContact CD1-CG2 4.25Å; L117-V134 HydrophobicContact CD2-CG2 3.71Å; L117-I147 HydrophobicContact CD1-CG1 4.44Å; L117-Y150 HydrophobicContact CB-CE1 4.05Å; L117-Y150 HydrophobicContact CB-CE2 4.05Å; L117-Y150 HydrophobicContact CD1-CD2 3.83Å; L117-Y150 HydrophobicContact CD1-CE2 3.6Å; L117-Y150 HydrophobicContact CG-CE2 4.48Å; L117-V154 HydrophobicContact CD2-CG1 4.5Å
118	D	98.8	Very high	98.4	Very high	71 Å²	71	59.3 Å²	59.3	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-55.7	-47.1	176.4	-76.5	-27.3	0	0	0	110.3	R114 L121 E122 Y150	R114-D118 VanDerWaalsContact CG-OD2 3.23Å; R114-D118 WeakPolarHBondContact CG-OD2 3.41Å; R114-D118 VanDerWaalsContact O-CB 3.31Å; R114-D118 WeakPolarHBondContact O-CB 3.15Å; R114-D118 PolarHBondContact O-N 2.9Å; D118-L121 PolarHBondContact O-N 3.29Å; D118-E122 WeakPolarHBondContact O-CB 3.48Å; D118-E122 PolarHBondContact O-N 3.16Å; D118-Y150 PolarHBondContact OD1-OH 3.19Å
119	K	98.7	Very high	98.4	Very high	56 Å²	56	60 Å²	60	24%	0.243	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-41.1	180	-74.7	-77	168.8	-147.9	0	113.3	R115 C116 L117 L121 E122 L123 E208 V209	R115-K119 WeakPolarHBondContact O-CG 3.11Å; R115-K119 PolarHBondContact O-N 2.8Å; C116-K119 PolarHBondContact O-N 3.49Å; L117-K119 VanDerWaalsContact C-N 3.29Å; L117-K119 PolarHBondContact O-N 2.64Å; K119-L121 VanDerWaalsContact C-N 3.34Å; K119-E122 IonicContact NZ-OE1 2.62Å; K119-E122 PolarHBondContact NZ-OE1 3.45Å; K119-E122 IonicContact NZ-OE2 3.24Å; K119-E122 PolarHBondContact NZ-OE2 3.4Å; K119-L123 WeakPolarHBondContact O-CB 3.26Å; K119-L123 WeakPolarHBondContact O-CG 3.41Å; K119-L123 PolarHBondContact O-N 2.59Å; K119-E208 HydrophobicContact CB-CG 4.35Å; K119-E208 HydrophobicContact CD-CG 4.24Å; K119-E208 HydrophobicContact CG-CG 3.89Å; K119-V209 HydrophobicContact CB-CG2 4.28Å
120	L	98.9	Very high	98.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-44.8	174.1	-78.8	168.7	0	0	0	111.4	I103 V105 C116 L117 R124 I132 V209 F213 F214	I103-L120 HydrophobicContact CG2-CD1 4.11Å; I103-L120 HydrophobicContact CG2-CD2 4.05Å; V105-L120 HydrophobicContact CG2-CD1 3.62Å; C116-L120 WeakPolarHBondContact O-CG 3.3Å; C116-L120 PolarHBondContact O-N 2.97Å; L117-L120 PolarHBondContact O-N 3.12Å; L120-R124 VanDerWaalsContact O-CB 3.23Å; L120-R124 WeakPolarHBondContact O-CB 3.45Å; L120-R124 PolarHBondContact O-N 2.94Å; L120-I132 HydrophobicContact CB-CD1 3.97Å; L120-V209 HydrophobicContact CD2-CG1 3.79Å; L120-V209 HydrophobicContact CD2-CG2 4.03Å; L120-V209 HydrophobicContact CG-CG1 4.37Å; L120-V209 HydrophobicContact CG-CG2 4.35Å; L120-F213 HydrophobicContact CD2-CE1 4.18Å; L120-F214 HydrophobicContact CD2-CE2 4.46Å; L120-F214 HydrophobicContact CD2-CZ 3.96Å; L120-F214 WeakPolarHBondContact O-CE2 3.49Å; L120-F214 WeakPolarHBondContact O-CZ 3.29Å
121	L	98.8	Very high	98.5	Very high	34 Å²	34	55.3 Å²	55.3	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-40.6	-179.4	-72.6	168	0	0	0	112.6	L117 D118 K119 L123 R124 I132 Y150 K153	L117-L121 WeakPolarHBondContact O-CB 3.12Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.39Å; L117-L121 PolarHBondContact O-N 2.95Å; D118-L121 PolarHBondContact O-N 3.29Å; K119-L121 VanDerWaalsContact C-N 3.34Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L121-L123 PolarHBondContact O-N 3.02Å; L121-R124 VanDerWaalsContact CD2-NH2 3.31Å; L121-R124 PolarHBondContact O-N 2.72Å; L121-I132 HydrophobicContact CD2-CD1 3.71Å; L121-I132 HydrophobicContact CG-CD1 4.04Å; L121-Y150 HydrophobicContact CD1-CD1 3.33Å; L121-Y150 HydrophobicContact CD1-CE1 3.61Å; L121-Y150 HydrophobicContact CD1-CG 4.36Å; L121-K153 HydrophobicContact CD1-CB 4.4Å; L121-K153 HydrophobicContact CD1-CD 4.38Å; L121-K153 HydrophobicContact CD2-CB 3.99Å
122	E	98.6	Very high	98.6	Very high	126 Å²	126	52.1 Å²	52.1	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-56.5	-42.6	176	-179.8	-171.7	156.4	0	0	111.5	D118 K119	D118-E122 WeakPolarHBondContact O-CB 3.48Å; D118-E122 PolarHBondContact O-N 3.16Å; K119-E122 IonicContact NZ-OE1 2.62Å; K119-E122 PolarHBondContact NZ-OE1 3.45Å; K119-E122 IonicContact NZ-OE2 3.24Å; K119-E122 PolarHBondContact NZ-OE2 3.4Å
123	L	98.7	Very high	98.6	Very high	43 Å²	43	49 Å²	49	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-97	-2.7	-173.3	-63	171.4	0	0	0	113.6	K119 L121 P125 V209 P211 F214	K119-L123 WeakPolarHBondContact O-CB 3.26Å; K119-L123 WeakPolarHBondContact O-CG 3.41Å; K119-L123 PolarHBondContact O-N 2.59Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L121-L123 PolarHBondContact O-N 3.02Å; L123-P125 WeakPolarHBondContact O-CD 3.45Å; L123-V209 HydrophobicContact CD1-CG2 4.02Å; L123-P211 HydrophobicContact CD2-CB 4.34Å; L123-F214 HydrophobicContact CB-CD2 4.34Å; L123-F214 HydrophobicContact CB-CE2 4.13Å; L123-F214 VanDerWaalsContact O-CD2 3.22Å; L123-F214 WeakPolarHBondContact O-CD2 3.42Å
124	R	98.6	Very high	98.6	Very high	46 Å²	46	49 Å²	49	17%	0.174	25%	0.247	C	C	.	.			trans	-70.7	118.4	-177.2	179.6	171.4	66.6	-179.6	2.2	110.7	L120 L121 S126 Y130 K153 F214	L120-R124 VanDerWaalsContact O-CB 3.23Å; L120-R124 WeakPolarHBondContact O-CB 3.45Å; L120-R124 PolarHBondContact O-N 2.94Å; L121-R124 VanDerWaalsContact CD2-NH2 3.31Å; L121-R124 PolarHBondContact O-N 2.72Å; R124-S126 WeakPolarHBondContact CG-O 3.39Å; R124-Y130 WeakPolarHBondContact CD-O 3.24Å; R124-K153 PolarHBondContact NH1-O 2.87Å; R124-F214 HydrophobicContact CB-CE1 4.44Å; R124-F214 HydrophobicContact CB-CE2 4.13Å; R124-F214 HydrophobicContact CB-CZ 3.9Å; R124-F214 HydrophobicContact CG-CE1 4.37Å; R124-F214 HydrophobicContact CG-CZ 4.31Å
125	P	98.1	Very high	98.6	Very high	92 Å²	92	43.9 Å²	43.9	60%	0.597	23%	0.227	S	C	*	.	S	Bend	trans	-77.8	-24.6	-177.7	31.1	-36.4	0	0	0	113.6	L123 Y130 F214	L123-P125 WeakPolarHBondContact O-CD 3.45Å; P125-Y130 HydrophobicContact CG-CD2 3.85Å; P125-Y130 HydrophobicContact CG-CE2 3.51Å; P125-F214 HydrophobicContact CG-CB 3.99Å; P125-F214 HydrophobicContact CG-CG 4.37Å
126	S	98.5	Very high	98.6	Very high	33 Å²	33	39.1 Å²	39.1	23%	0.231	21%	0.21	C	C	.	.			trans	-156.8	131.1	178.2	164.7	0	0	0	0	110.8	R124 E128 L129 Y130	R124-S126 WeakPolarHBondContact CG-O 3.39Å; S126-E128 VanDerWaalsContact C-N 3.34Å; S126-E128 PolarHBondContact OG-N 3.17Å; S126-L129 PolarHBondContact OG-N 2.79Å; S126-Y130 WeakPolarHBondContact O-CD2 3.37Å; S126-Y130 PolarHBondContact O-N 3.14Å; S126-Y130 VanDerWaalsContact O-N 3.14Å
127	A	98.2	Very high	98.6	Very high	56 Å²	56	39.4 Å²	39.4	46%	0.463	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-33.3	175.6	0	0	0	0	0	112.3	Y130 P131	A127-Y130 CarbonylContact O-C 3.56Å; A127-P131 WeakPolarHBondContact O-CA 3.44Å
128	E	97.7	Very high	98.6	Very high	163 Å²	163	42 Å²	42	76%	0.762	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-41.9	179.6	-63.5	176	179.2	0	0	111.8	V100 S126	V100-E128 WeakPolarHBondContact CG1-O 3.41Å; S126-E128 VanDerWaalsContact C-N 3.34Å; S126-E128 PolarHBondContact OG-N 3.17Å
129	L	98.2	Very high	98.5	Very high	46 Å²	46	41 Å²	41	24%	0.241	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-22	-178.4	-67	-179.9	0	0	0	113.2	P98 I101 S126	P98-L129 HydrophobicContact CB-CD2 3.98Å; I101-L129 PolarHBondContact N-O 3.23Å; S126-L129 PolarHBondContact OG-N 2.79Å
130	Y	98.7	Very high	98.5	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.039	24%	0.238	C	C	.	.	S	Bend	trans	-137.7	64.4	-177.1	-53.4	-87.2	0	0	0	111.4	I101 R124 P125 S126 A127 I132 F214 R218	I101-Y130 HydrophobicContact CB-CD1 4.16Å; I101-Y130 HydrophobicContact CB-CE1 4.23Å; I101-Y130 HydrophobicContact CD1-CE1 4.46Å; I101-Y130 WeakPolarHBondContact O-CA 3.3Å; I101-Y130 WeakPolarHBondContact O-CD1 3.47Å; R124-Y130 WeakPolarHBondContact CD-O 3.24Å; P125-Y130 HydrophobicContact CG-CD2 3.85Å; P125-Y130 HydrophobicContact CG-CE2 3.51Å; S126-Y130 WeakPolarHBondContact O-CD2 3.37Å; S126-Y130 PolarHBondContact O-N 3.14Å; S126-Y130 VanDerWaalsContact O-N 3.14Å; A127-Y130 CarbonylContact O-C 3.56Å; Y130-I132 PolarHBondContact O-N 2.8Å; Y130-F214 AromaticContact CD1-CD1 3.55Å; Y130-F214 HydrophobicContact CD1-CD1 3.55Å; Y130-F214 HydrophobicContact CD1-CE1 4.14Å; Y130-F214 HydrophobicContact CD2-CD1 4.22Å; Y130-F214 HydrophobicContact CE1-CB 4.32Å; Y130-F214 AromaticContact CE1-CD1 3.89Å; Y130-F214 HydrophobicContact CE1-CD1 3.89Å; Y130-F214 AromaticContact CG-CD1 3.67Å; Y130-F214 HydrophobicContact CG-CD1 3.67Å; Y130-F214 HydrophobicContact CG-CE1 4.05Å; Y130-F214 PolarHBondContact OH-O 2.74Å; Y130-R218 VanDerWaalsContact CZ-NH2 3.3Å; Y130-R218 WeakPolarHBondContact OH-CB 3.46Å; Y130-R218 PolarHBondContact OH-NE 2.94Å; Y130-R218 PolarHBondContact OH-NH2 3.2Å
131	P	98.8	Very high	98.5	Very high	33 Å²	33	46.2 Å²	46.2	21%	0.214	27%	0.266	C	S	.	.			trans	-60.3	135.5	174.1	26.4	-33.3	0	0	0	109.3	V100 P102 I103 A127	V100-P131 VanDerWaalsContact CG1-CD 3.48Å; V100-P131 HydrophobicContact CG1-CG 3.76Å; P102-P131 CarbonylContact C-O 3.55Å; P102-P131 VanDerWaalsContact CA-O 3.31Å; P102-P131 WeakPolarHBondContact CA-O 3.48Å; P102-P131 HydrophobicContact CB-CG 4.09Å; I103-P131 PolarHBondContact N-O 3.04Å; A127-P131 WeakPolarHBondContact O-CA 3.44Å
132	I	98.9	Very high	98.5	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.6	179.1	-63.4	172.7	0	0	0	107.9	I103 V105 L117 L120 L121 Y130 V134 V154 T155	I103-I132 HydrophobicContact CB-CG1 4.2Å; I103-I132 HydrophobicContact CG1-CG1 4.38Å; V105-I132 HydrophobicContact CG2-CG2 4.13Å; L117-I132 HydrophobicContact CD2-CG2 4.13Å; L120-I132 HydrophobicContact CB-CD1 3.97Å; L121-I132 HydrophobicContact CD2-CD1 3.71Å; L121-I132 HydrophobicContact CG-CD1 4.04Å; Y130-I132 PolarHBondContact O-N 2.8Å; I132-V134 HydrophobicContact CG2-CG2 4.22Å; I132-V154 HydrophobicContact CB-CG1 4.09Å; I132-V154 HydrophobicContact CG2-CB 4.34Å; I132-V154 HydrophobicContact CG2-CG1 3.84Å; I132-V154 CarbonylContact O-C 3.56Å; I132-V154 WeakPolarHBondContact O-CA 3.32Å; I132-T155 PolarHBondContact O-N 3.15Å
133	I	98.9	Very high	98.5	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.9	178.5	-57.8	162.7	0	0	0	107.1	P102 I103 L104 V105 T155 L157 V191 L195	P102-I133 HydrophobicContact CB-CD1 3.9Å; I103-I133 PolarHBondContact O-N 3.05Å; L104-I133 CarbonylContact C-O 3.48Å; L104-I133 WeakPolarHBondContact CA-O 3.26Å; L104-I133 HydrophobicContact CD1-CB 4.41Å; L104-I133 HydrophobicContact CD1-CG2 4.13Å; V105-I133 PolarHBondContact N-O 3.36Å; I133-T155 CarbonylContact C-O 3.46Å; I133-T155 WeakPolarHBondContact CA-O 3.43Å; I133-L157 HydrophobicContact CG2-CD1 3.48Å; I133-L157 VanDerWaalsContact CG2-CD1 3.48Å; I133-L157 HydrophobicContact CG2-CG 3.89Å; I133-V191 HydrophobicContact CD1-CG2 4.14Å; I133-L195 HydrophobicContact CD1-CD1 3.51Å; I133-L195 HydrophobicContact CG1-CD1 4.36Å
134	V	98.9	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109	176.3	-170.4	0	0	0	0	108.4	V105 A107 L117 I132 I147 V154 T155 L157	V105-V134 HydrophobicContact CB-CG1 4.34Å; V105-V134 HydrophobicContact CB-CG2 4.27Å; V105-V134 HydrophobicContact CG1-CG1 4.41Å; A107-V134 HydrophobicContact CB-CG1 4.06Å; L117-V134 HydrophobicContact CD1-CG2 4.25Å; L117-V134 HydrophobicContact CD2-CG2 3.71Å; I132-V134 HydrophobicContact CG2-CG2 4.22Å; V134-I147 HydrophobicContact CB-CG2 3.93Å; V134-I147 HydrophobicContact CG1-CD1 3.64Å; V134-I147 HydrophobicContact CG1-CG1 3.99Å; V134-I147 HydrophobicContact CG1-CG2 3.96Å; V134-I147 HydrophobicContact CG2-CG2 4.18Å; V134-V154 HydrophobicContact CG2-CB 4.1Å; V134-V154 HydrophobicContact CG2-CG1 4.41Å; V134-V154 HydrophobicContact CG2-CG2 4.3Å; V134-T155 PolarHBondContact N-O 3.35Å; V134-L157 PolarHBondContact O-N 2.84Å
135	S	98.9	Very high	98.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.3	173.4	-176.6	0	0	0	0	109.1	V105 A107 H183 W186 A187	V105-S135 PolarHBondContact O-N 3.15Å; A107-S135 PolarHBondContact N-O 3.13Å; S135-H183 PolarHBondContact O-CE1 2.98Å; S135-H183 PolarHBondContact O-NE2 2.9Å; S135-H183 PolarHBondContact OG-NE2 2.98Å; S135-W186 WeakPolarHBondContact OG-CZ3 3.33Å; S135-A187 WeakPolarHBondContact OG-CB 3.41Å
136	Q	98.9	Very high	98.5	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.028	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.1	-177.6	-163.6	-161	-5.7	0	0	111.3	A107 C108 H140 T143 I147 H156 L157 K158 Q159	A107-Q136 HydrophobicContact CB-CG 4.42Å; A107-Q136 CarbonylContact O-C 3.6Å; A107-Q136 WeakPolarHBondContact O-CA 3.45Å; C108-Q136 PolarHBondContact O-NE2 3.21Å; C108-Q136 VanDerWaalsContact O-NE2 3.08Å; Q136-H140 PolarHBondContact NE2-O 3.11Å; Q136-T143 HydrophobicContact CG-CG2 4.44Å; Q136-I147 HydrophobicContact CB-CD1 4.08Å; Q136-I147 HydrophobicContact CG-CD1 3.95Å; Q136-H156 WeakPolarHBondContact CB-NE2 3.44Å; Q136-H156 PolarHBondContact OE1-CE1 3.46Å; Q136-H156 PolarHBondContact OE1-NE2 2.69Å; Q136-L157 PolarHBondContact N-O 3.43Å; Q136-K158 WeakPolarHBondContact O-CA 3.37Å; Q136-Q159 PolarHBondContact O-N 3.44Å
137	D	98.6	Very high	98.6	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	23%	0.225	C	C	.	.			trans	-95.3	-171.8	166.9	-168.1	16.3	0	0	0	111.1	A107 G139 Q159 L162 H183	A107-D137 PolarHBondContact O-N 3.37Å; D137-G139 PolarHBondContact O-N 3.08Å; D137-Q159 HydrophobicContact CB-CB 4.28Å; D137-L162 VanDerWaalsContact OD1-CD2 3.3Å; D137-L162 WeakPolarHBondContact OD1-CD2 3.46Å; D137-H183 HydrophobicContact CB-CB 4.18Å; D137-H183 WeakPolarHBondContact CB-ND1 3.3Å
138	C	97.8	Very high	98.6	Very high	55 Å²	55	37 Å²	37	37%	0.372	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	-10.8	166	-49.9	0	0	0	0	116.3	C108 N109 H140	C108-C138 HydrophobicContact CB-CB 4.03Å; C108-C138 WeakPolarHBondContact CB-SG 3.33Å; C108-C138 WeakPolarHBondContact SG-CB 3.31Å; C108-C138 CovalentContact SG-SG 2.01Å; C108-C138 PolarHBondContact SG-SG 3.41Å; N109-C138 HydrophobicContact CB-CB 4.31Å; C138-H140 PolarHBondContact O-N 2.96Å; C138-H140 VanDerWaalsContact O-N 3.17Å
139	G	97.4	Very high	98.6	Very high	48 Å²	48	32.8 Å²	32.8	50%	0.495	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	23.1	177.2	0	0	0	0	0	114.2	D137 T141	D137-G139 PolarHBondContact O-N 3.08Å; G139-T141 PolarHBondContact O-N 3.38Å
140	H	98.5	Very high	98.7	Very high	70 Å²	70	31.5 Å²	31.5	32%	0.324	21%	0.207	S	C	.	.			trans	-76.7	109.7	-175	-174.6	-119.8	0	0	0	111.4	N109 Q136 C138 A142 T143 A144	N109-H140 HydrophobicContact CB-CB 3.64Å; N109-H140 PolarHBondContact O-CE1 3.11Å; N109-H140 PolarHBondContact O-ND1 2.81Å; Q136-H140 PolarHBondContact NE2-O 3.11Å; C138-H140 PolarHBondContact O-N 2.96Å; C138-H140 VanDerWaalsContact O-N 3.17Å; H140-A142 PolarHBondContact O-N 2.86Å; H140-T143 PolarHBondContact ND1-N 3.43Å; H140-T143 PolarHBondContact ND1-OG1 2.52Å; H140-T143 PolarHBondContact O-N 2.88Å; H140-A144 PolarHBondContact O-N 2.96Å
141	T	98.6	Very high	98.6	Very high	96 Å²	96	33.1 Å²	33.1	59%	0.589	23%	0.227	S	C	*	.	H	α-helix	trans	-57.2	-48.9	-173.9	-49.3	0	0	0	0	113	G139 T143 A144 D145	G139-T141 PolarHBondContact O-N 3.38Å; T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 3.45Å; T141-A144 CarbonylContact O-C 3.55Å; T141-A144 WeakPolarHBondContact O-CA 3.45Å; T141-A144 VanDerWaalsContact O-CB 3.31Å; T141-A144 WeakPolarHBondContact O-CB 3.36Å; T141-A144 PolarHBondContact O-N 3.14Å; T141-D145 VanDerWaalsContact O-CG 3.27Å; T141-D145 PolarHBondContact O-N 3.32Å
142	A	98.8	Very high	98.6	Very high	43 Å²	43	39.1 Å²	39.1	36%	0.355	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-34.2	-177.7	0	0	0	0	0	112.8	V111 H140 V146	V111-A142 HydrophobicContact CG1-CB 3.91Å; H140-A142 PolarHBondContact O-N 2.86Å; A142-V146 WeakPolarHBondContact O-CG2 3.32Å; A142-V146 PolarHBondContact O-N 2.77Å
143	T	98.8	Very high	98.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-38.6	172.7	-63.7	0	0	0	0	111.1	R110 V111 V113 Q136 H140 T141 D145 V146 I147	R110-T143 VanDerWaalsContact C-OG1 3.25Å; R110-T143 PolarHBondContact N-OG1 3.28Å; R110-T143 PolarHBondContact O-OG1 2.87Å; V111-T143 PolarHBondContact N-OG1 2.99Å; V113-T143 HydrophobicContact CG1-CG2 3.96Å; Q136-T143 HydrophobicContact CG-CG2 4.44Å; H140-T143 PolarHBondContact ND1-N 3.43Å; H140-T143 PolarHBondContact ND1-OG1 2.52Å; H140-T143 PolarHBondContact O-N 2.88Å; T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 3.45Å; T143-D145 VanDerWaalsContact C-N 3.33Å; T143-D145 PolarHBondContact O-N 2.72Å; T143-V146 PolarHBondContact O-N 2.82Å; T143-I147 HydrophobicContact CG2-CD1 3.9Å; T143-I147 VanDerWaalsContact O-CG1 3.29Å; T143-I147 WeakPolarHBondContact O-CG1 3.46Å; T143-I147 PolarHBondContact O-N 3.13Å
144	A	98.8	Very high	98.6	Very high	12 Å²	12	45 Å²	45	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-41.7	175.5	0	0	0	0	0	111.6	H140 T141 I147 A148	H140-A144 PolarHBondContact O-N 2.96Å; T141-A144 CarbonylContact O-C 3.55Å; T141-A144 WeakPolarHBondContact O-CA 3.45Å; T141-A144 VanDerWaalsContact O-CB 3.31Å; T141-A144 WeakPolarHBondContact O-CB 3.36Å; T141-A144 PolarHBondContact O-N 3.14Å; A144-I147 PolarHBondContact O-N 2.84Å; A144-A148 VanDerWaalsContact O-CB 3.28Å; A144-A148 WeakPolarHBondContact O-CB 3.27Å; A144-A148 PolarHBondContact O-N 3.02Å
145	D	98.8	Very high	98.6	Very high	101 Å²	101	48.4 Å²	48.4	54%	0.54	30%	0.304	S	S	.	.	H	α-helix	trans	-64.5	-40.7	177.4	-62.9	-24.6	0	0	0	111.5	T141 T143 A148 S149	T141-D145 VanDerWaalsContact O-CG 3.27Å; T141-D145 PolarHBondContact O-N 3.32Å; T143-D145 VanDerWaalsContact C-N 3.33Å; T143-D145 PolarHBondContact O-N 2.72Å; D145-A148 PolarHBondContact O-N 2.85Å; D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 3.08Å
146	V	98.8	Very high	98.6	Very high	20 Å²	20	50.9 Å²	50.9	12%	0.121	32%	0.316	C	S	.	.	H	α-helix	trans	-59.6	-48.3	172.8	168.3	0	0	0	0	110.8	V111 V113 R114 A142 T143 S149 Y150	V111-V146 HydrophobicContact CB-CG2 4.21Å; V111-V146 HydrophobicContact CG1-CG2 4.36Å; V113-V146 HydrophobicContact CG1-CG1 3.86Å; R114-V146 HydrophobicContact CB-CG1 3.86Å; A142-V146 WeakPolarHBondContact O-CG2 3.32Å; A142-V146 PolarHBondContact O-N 2.77Å; T143-V146 PolarHBondContact O-N 2.82Å; V146-S149 PolarHBondContact O-N 3.37Å; V146-S149 PolarHBondContact O-OG 2.89Å; V146-Y150 HydrophobicContact CG1-CE2 4.23Å; V146-Y150 WeakPolarHBondContact O-CD2 3.38Å; V146-Y150 WeakPolarHBondContact O-CE2 3.24Å
147	I	98.8	Very high	98.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-44.6	-179.6	-62.4	161.3	0	0	0	110.5	A107 V113 L117 V134 Q136 T143 A144 S149 Y150 V154 H156	A107-I147 HydrophobicContact CB-CD1 4.3Å; V113-I147 HydrophobicContact CG1-CG1 4.1Å; L117-I147 HydrophobicContact CD1-CG1 4.44Å; V134-I147 HydrophobicContact CB-CG2 3.93Å; V134-I147 HydrophobicContact CG1-CD1 3.64Å; V134-I147 HydrophobicContact CG1-CG1 3.99Å; V134-I147 HydrophobicContact CG1-CG2 3.96Å; V134-I147 HydrophobicContact CG2-CG2 4.18Å; Q136-I147 HydrophobicContact CB-CD1 4.08Å; Q136-I147 HydrophobicContact CG-CD1 3.95Å; T143-I147 HydrophobicContact CG2-CD1 3.9Å; T143-I147 VanDerWaalsContact O-CG1 3.29Å; T143-I147 WeakPolarHBondContact O-CG1 3.46Å; T143-I147 PolarHBondContact O-N 3.13Å; A144-I147 PolarHBondContact O-N 2.84Å; I147-S149 PolarHBondContact O-N 3.43Å; I147-Y150 PolarHBondContact O-N 3.06Å; I147-Y150 VanDerWaalsContact O-N 3.17Å; I147-V154 HydrophobicContact CG2-CG2 4.32Å; I147-H156 HydrophobicContact CG2-CB 3.85Å
148	A	98.7	Very high	98.6	Very high	61 Å²	61	58.2 Å²	58.2	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-61.4	-31.7	178.3	0	0	0	0	0	112.6	A144 D145 Y150 G151	A144-A148 VanDerWaalsContact O-CB 3.28Å; A144-A148 WeakPolarHBondContact O-CB 3.27Å; A144-A148 PolarHBondContact O-N 3.02Å; D145-A148 PolarHBondContact O-N 2.85Å; A148-Y150 PolarHBondContact O-N 3.27Å; A148-Y150 VanDerWaalsContact O-N 3.09Å; A148-G151 PolarHBondContact O-N 3.29Å
149	S	98.8	Very high	98.6	Very high	74 Å²	74	56 Å²	56	52%	0.517	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.6	177.9	77.7	0	0	0	0	114.4	R114 D145 V146 I147 G151	R114-S149 PolarHBondContact NH2-OG 3.35Å; D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 3.08Å; V146-S149 PolarHBondContact O-N 3.37Å; V146-S149 PolarHBondContact O-OG 2.89Å; I147-S149 PolarHBondContact O-N 3.43Å; S149-G151 VanDerWaalsContact C-N 3.32Å
150	Y	98.8	Very high	98.6	Very high	18 Å²	18	58.3 Å²	58.3	7%	0.071	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11	174.2	-69.7	-86.9	0	0	0	113.8	R114 L117 D118 L121 V146 I147 A148 K153	R114-Y150 WeakPolarHBondContact CA-OH 3.38Å; R114-Y150 WeakPolarHBondContact CG-OH 3.32Å; R114-Y150 PolarHBondContact O-OH 2.88Å; L117-Y150 HydrophobicContact CB-CE1 4.05Å; L117-Y150 HydrophobicContact CB-CE2 4.05Å; L117-Y150 HydrophobicContact CD1-CD2 3.83Å; L117-Y150 HydrophobicContact CD1-CE2 3.6Å; L117-Y150 HydrophobicContact CG-CE2 4.48Å; D118-Y150 PolarHBondContact OD1-OH 3.19Å; L121-Y150 HydrophobicContact CD1-CD1 3.33Å; L121-Y150 HydrophobicContact CD1-CE1 3.61Å; L121-Y150 HydrophobicContact CD1-CG 4.36Å; V146-Y150 HydrophobicContact CG1-CE2 4.23Å; V146-Y150 WeakPolarHBondContact O-CD2 3.38Å; V146-Y150 WeakPolarHBondContact O-CE2 3.24Å; I147-Y150 PolarHBondContact O-N 3.06Å; I147-Y150 VanDerWaalsContact O-N 3.17Å; A148-Y150 PolarHBondContact O-N 3.27Å; A148-Y150 VanDerWaalsContact O-N 3.09Å; Y150-K153 WeakPolarHBondContact O-CB 3.5Å; Y150-K153 WeakPolarHBondContact O-CG 3.32Å; Y150-K153 PolarHBondContact O-N 3.12Å
151	G	98.4	Very high	98.6	Very high	45 Å²	45	58.2 Å²	58.2	46%	0.464	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	58.8	-135.1	177.5	0	0	0	0	0	113	A148 S149 K153 V154	A148-G151 PolarHBondContact O-N 3.29Å; S149-G151 VanDerWaalsContact C-N 3.32Å; G151-K153 PolarHBondContact O-N 3.2Å; G151-V154 VanDerWaalsContact O-O 3.12Å
152	D	97.6	Very high	98.6	Very high	158 Å²	158	57.5 Å²	57.5	85%	0.845	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-70.5	-7.6	-178.5	65.1	-20.2	0	0	0	114.5	V154	D152-V154 PolarHBondContact O-N 3.19Å
153	K	98.6	Very high	98.5	Very high	119 Å²	119	58.6 Å²	58.6	52%	0.517	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-66.9	-22.9	178.3	-62.2	178.9	-177.7	175.7	0	112.8	L121 R124 Y150 G151	L121-K153 HydrophobicContact CD1-CB 4.4Å; L121-K153 HydrophobicContact CD1-CD 4.38Å; L121-K153 HydrophobicContact CD2-CB 3.99Å; R124-K153 PolarHBondContact NH1-O 2.87Å; Y150-K153 WeakPolarHBondContact O-CB 3.5Å; Y150-K153 WeakPolarHBondContact O-CG 3.32Å; Y150-K153 PolarHBondContact O-N 3.12Å; G151-K153 PolarHBondContact O-N 3.2Å
154	V	98.8	Very high	98.2	Very high	12 Å²	12	63.6 Å²	63.6	7%	0.073	37%	0.365	C	S	.	.	S	Bend	trans	-137	153.2	-179	-54.7	0	0	0	0	110.8	L117 I132 V134 I147 G151 D152	L117-V154 HydrophobicContact CD2-CG1 4.5Å; I132-V154 HydrophobicContact CB-CG1 4.09Å; I132-V154 HydrophobicContact CG2-CB 4.34Å; I132-V154 HydrophobicContact CG2-CG1 3.84Å; I132-V154 CarbonylContact O-C 3.56Å; I132-V154 WeakPolarHBondContact O-CA 3.32Å; V134-V154 HydrophobicContact CG2-CB 4.1Å; V134-V154 HydrophobicContact CG2-CG1 4.41Å; V134-V154 HydrophobicContact CG2-CG2 4.3Å; I147-V154 HydrophobicContact CG2-CG2 4.32Å; G151-V154 VanDerWaalsContact O-O 3.12Å; D152-V154 PolarHBondContact O-N 3.19Å
155	T	98.8	Very high	98.1	Very high	71 Å²	71	64.6 Å²	64.6	44%	0.436	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.6	167.6	-61.8	0	0	0	0	109.3	I132 I133 V134 L157	I132-T155 PolarHBondContact O-N 3.15Å; I133-T155 CarbonylContact C-O 3.46Å; I133-T155 WeakPolarHBondContact CA-O 3.43Å; V134-T155 PolarHBondContact N-O 3.35Å; T155-L157 HydrophobicContact CG2-CD2 3.98Å; T155-L157 HydrophobicContact CG2-CG 4.33Å
156	H	98.8	Very high	97.8	Very high	52 Å²	52	65.9 Å²	65.9	24%	0.241	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.7	179.1	-173.8	-167	0	0	0	111.2	Q136 I147	Q136-H156 WeakPolarHBondContact CB-NE2 3.44Å; Q136-H156 PolarHBondContact OE1-CE1 3.46Å; Q136-H156 PolarHBondContact OE1-NE2 2.69Å; I147-H156 HydrophobicContact CG2-CB 3.85Å
157	L	98.8	Very high	97.6	Very high	33 Å²	33	66.6 Å²	66.6	17%	0.173	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.5	173.3	-56	-177.5	0	0	0	109.6	I133 V134 Q136 T155 W186 Q190	I133-L157 HydrophobicContact CG2-CD1 3.48Å; I133-L157 VanDerWaalsContact CG2-CD1 3.48Å; I133-L157 HydrophobicContact CG2-CG 3.89Å; V134-L157 PolarHBondContact O-N 2.84Å; Q136-L157 PolarHBondContact N-O 3.43Å; T155-L157 HydrophobicContact CG2-CD2 3.98Å; T155-L157 HydrophobicContact CG2-CG 4.33Å; L157-W186 HydrophobicContact CB-CH2 3.87Å; L157-W186 HydrophobicContact CB-CZ3 4.1Å; L157-Q190 HydrophobicContact CD1-CB 3.75Å; L157-Q190 HydrophobicContact CD1-CG 4.05Å
158	K	98.7	Very high	97.2	Very high	133 Å²	133	74.7 Å²	74.7	58%	0.578	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.3	177.5	-64.2	179.5	-178.6	178.7	0	109.4	Q136 W186	Q136-K158 WeakPolarHBondContact O-CA 3.37Å; K158-W186 WeakPolarHBondContact O-CH2 3.43Å; K158-W186 WeakPolarHBondContact O-CZ2 3.26Å
159	Q	98.3	Very high	96.9	Very high	10 Å²	10	76.6 Å²	76.6	5%	0.047	42%	0.424	C	S	.	.			trans	-59.2	128.2	175	-163.6	-78.1	11.1	0	0	107.8	Q136 D137 D161 R182 W186	Q136-Q159 PolarHBondContact O-N 3.44Å; D137-Q159 HydrophobicContact CB-CB 4.28Å; Q159-D161 VanDerWaalsContact CD-O 3.28Å; Q159-D161 PolarHBondContact NE2-O 3.08Å; Q159-D161 PolarHBondContact OE1-O 2.96Å; Q159-R182 VanDerWaalsContact NE2-NE 3.2Å; Q159-W186 HydrophobicContact CB-CD2 4.4Å; Q159-W186 HydrophobicContact CB-CE3 3.89Å; Q159-W186 HydrophobicContact CB-CZ3 4.07Å; Q159-W186 HydrophobicContact CG-CB 4.32Å; Q159-W186 HydrophobicContact CG-CD2 4.07Å; Q159-W186 HydrophobicContact CG-CE3 3.9Å; Q159-W186 HydrophobicContact CG-CG 4.25Å
160	P	98.2	Very high	96.6	Very high	96 Å²	96	78.1 Å²	78.1	62%	0.623	42%	0.423	S	S	*	.	S	Bend	trans	-84.1	-27.7	-168.4	31	-36.6	0	0	0	114.6	W186	P160-W186 HydrophobicContact CG-CZ2 4.44Å
161	D	98.2	Very high	96.3	Very high	67 Å²	67	79.8 Å²	79.8	36%	0.358	43%	0.431	S	S	.	.			trans	-100.7	93.6	-178.8	174.1	24.5	0	0	0	111.2	Q159 S163 R182	Q159-D161 VanDerWaalsContact CD-O 3.28Å; Q159-D161 PolarHBondContact NE2-O 3.08Å; Q159-D161 PolarHBondContact OE1-O 2.96Å; D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 WeakPolarHBondContact OD1-CB 3.34Å; D161-S163 PolarHBondContact OD1-N 3.15Å; D161-S163 PolarHBondContact OD1-OG 3.39Å; D161-R182 VanDerWaalsContact CG-NH1 3.3Å; D161-R182 PolarHBondContact O-NE 3.41Å; D161-R182 PolarHBondContact O-NH1 3.17Å; D161-R182 PolarHBondContact O-NH2 2.84Å; D161-R182 IonicContact OD1-NH1 3.33Å; D161-R182 PolarHBondContact OD1-NH1 3.07Å; D161-R182 WeakPolarHBondContact OD2-CD 3.49Å; D161-R182 IonicContact OD2-CZ 3.78Å; D161-R182 IonicContact OD2-NE 2.78Å; D161-R182 IonicContact OD2-NH1 3.45Å; D161-R182 PolarHBondContact OD2-NH1 2.89Å
162	L	97.7	Very high	96	Very high	82 Å²	82	84.6 Å²	84.6	43%	0.429	44%	0.439	S	S	.	.			trans	-90	4.2	176.9	-56	-177.3	0	0	0	113.3	D137	D137-L162 VanDerWaalsContact OD1-CD2 3.3Å; D137-L162 WeakPolarHBondContact OD1-CD2 3.46Å
163	S	96.9	Very high	95.7	Very high	66 Å²	66	85 Å²	85	46%	0.462	43%	0.434	S	S	.	.	S	Bend	trans	-62.7	158.2	-177.4	69.5	0	0	0	0	111.9	D161 R182	D161-S163 VanDerWaalsContact C-N 3.33Å; D161-S163 WeakPolarHBondContact OD1-CB 3.34Å; D161-S163 PolarHBondContact OD1-N 3.15Å; D161-S163 PolarHBondContact OD1-OG 3.39Å; S163-R182 PolarHBondContact O-NH1 3.02Å; S163-R182 PolarHBondContact O-NH2 2.78Å; S163-R182 PolarHBondContact OG-NH1 3.32Å
164	D	93.9	Very high	95.4	Very high	104 Å²	104	82.3 Å²	82.3	56%	0.556	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-71.1	137.7	170.1	-81.8	-15.4	0	0	0	111.1	P166 Q175 K179	D164-P166 WeakPolarHBondContact O-CD 3.41Å; D164-Q175 PolarHBondContact OD1-NE2 2.98Å; D164-Q175 PolarHBondContact OD2-NE2 2.73Å; D164-K179 VanDerWaalsContact OD1-CE 3.31Å; D164-K179 WeakPolarHBondContact OD1-CE 3.47Å; D164-K179 IonicContact OD1-NZ 2.72Å; D164-K179 PolarHBondContact OD1-NZ 3.12Å
165	I	94.9	Very high	95.2	Very high	34 Å²	34	84.5 Å²	84.5	17%	0.174	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-87.2	123.5	178.3	-61.5	167.7	0	0	0	108	V167 Y178 K179 R182	I165-V167 HydrophobicContact CG2-CG1 4.4Å; I165-V167 PolarHBondContact O-N 3.42Å; I165-Y178 VanDerWaalsContact CD1-C 3.46Å; I165-Y178 WeakPolarHBondContact CD1-O 3.45Å; I165-Y178 HydrophobicContact CG2-CD1 3.93Å; I165-Y178 HydrophobicContact CG2-CG 4.4Å; I165-K179 HydrophobicContact CD1-CG 4.18Å; I165-R182 HydrophobicContact CD1-CB 4.08Å
166	P	93.7	Very high	95.1	Very high	128 Å²	128	82.3 Å²	82.3	83%	0.831	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-60.1	121.4	172.6	-22.6	33.6	0	0	0	110.3	D164	D164-P166 WeakPolarHBondContact O-CD 3.41Å
167	V	94.9	Very high	95	Very high	35 Å²	35	82.6 Å²	82.6	21%	0.212	42%	0.423	C	S	.	.			trans	-125.1	155	179	-64.1	0	0	0	0	110.6	I165 H171 K172 Y178	I165-V167 HydrophobicContact CG2-CG1 4.4Å; I165-V167 PolarHBondContact O-N 3.42Å; V167-H171 HydrophobicContact CB-CB 4.11Å; V167-H171 HydrophobicContact CG2-CB 4.49Å; V167-K172 HydrophobicContact CG2-CG 4.38Å; V167-Y178 HydrophobicContact CB-CE2 4.46Å; V167-Y178 HydrophobicContact CG1-CD1 3.88Å; V167-Y178 HydrophobicContact CG1-CD2 3.62Å; V167-Y178 HydrophobicContact CG1-CE1 3.91Å; V167-Y178 HydrophobicContact CG1-CE2 3.67Å; V167-Y178 HydrophobicContact CG1-CG 3.73Å
168	R	90.7	Very high	94.9	Very high	171 Å²	171	82.4 Å²	82.4	65%	0.645	42%	0.42	S	S	*	.			trans	-60.8	152.2	173.2	-58.4	-174.9	-176.8	174.6	-0.6	110.7	E170 H171 K172	R168-E170 VanDerWaalsContact C-N 3.25Å; R168-E170 VanDerWaalsContact CB-CD 3.44Å; R168-E170 HydrophobicContact CB-CG 4.16Å; R168-E170 WeakPolarHBondContact CB-OE1 3.49Å; R168-E170 WeakPolarHBondContact CB-OE2 3.46Å; R168-E170 WeakPolarHBondContact CD-OE1 3.36Å; R168-E170 PolarHBondContact O-N 2.83Å; R168-H171 WeakPolarHBondContact O-CA 3.05Å; R168-H171 PolarHBondContact O-N 3.01Å; R168-K172 PolarHBondContact O-N 3.21Å
169	P	91.3	Very high	94.9	Very high	100 Å²	100	78.6 Å²	78.6	65%	0.649	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-50.5	-42.3	-179.2	-28.9	36.1	0	0	0	114.1	H171 K172	P169-H171 PolarHBondContact O-N 3.34Å; P169-K172 WeakPolarHBondContact O-CG 3.26Å; P169-K172 PolarHBondContact O-N 2.98Å
170	E	92.6	Very high	94.9	Very high	107 Å²	107	80.4 Å²	80.4	50%	0.5	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.1	177.7	59.6	-91.3	-154.3	0	0	113.8	R168	R168-E170 VanDerWaalsContact C-N 3.25Å; R168-E170 VanDerWaalsContact CB-CD 3.44Å; R168-E170 HydrophobicContact CB-CG 4.16Å; R168-E170 WeakPolarHBondContact CB-OE1 3.49Å; R168-E170 WeakPolarHBondContact CB-OE2 3.46Å; R168-E170 WeakPolarHBondContact CD-OE1 3.36Å; R168-E170 PolarHBondContact O-N 2.83Å
171	H	92.6	Very high	94.9	Very high	53 Å²	53	75.8 Å²	75.8	25%	0.245	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-103.6	3.4	-176.6	-72.8	-167.7	0	0	0	113.9	V167 R168 P169 K173 F174 Y178	V167-H171 HydrophobicContact CB-CB 4.11Å; V167-H171 HydrophobicContact CG2-CB 4.49Å; R168-H171 WeakPolarHBondContact O-CA 3.05Å; R168-H171 PolarHBondContact O-N 3.01Å; P169-H171 PolarHBondContact O-N 3.34Å; H171-K173 VanDerWaalsContact C-N 3.25Å; H171-K173 PolarHBondContact O-N 3.09Å; H171-F174 HydrophobicContact CB-CD2 4.45Å; H171-F174 WeakPolarHBondContact O-CA 3.38Å; H171-F174 WeakPolarHBondContact O-CB 3.31Å; H171-F174 PolarHBondContact O-N 3.31Å; H171-Y178 HydrophobicContact CB-CE2 4.17Å; H171-Y178 AromaticContact ND1-CE2 3.88Å; H171-Y178 AromaticContact ND1-CZ 3.79Å; H171-Y178 PolarHBondContact ND1-OH 2.97Å
172	K	91.4	Very high	95	Very high	145 Å²	145	74.6 Å²	74.6	63%	0.63	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-52.5	-42.7	178.3	-76.4	-176.8	175.6	-175.5	0	112.8	V167 R168 P169 F174 Q175	V167-K172 HydrophobicContact CG2-CG 4.38Å; R168-K172 PolarHBondContact O-N 3.21Å; P169-K172 WeakPolarHBondContact O-CG 3.26Å; P169-K172 PolarHBondContact O-N 2.98Å; K172-F174 PolarHBondContact O-N 2.94Å; K172-Q175 PolarHBondContact O-N 3.35Å
173	K	91.3	Very high	95	Very high	168 Å²	168	70.9 Å²	70.9	73%	0.73	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-66.8	-13.2	176.9	66.4	-179.6	177.9	177.8	0	114.5	H171	H171-K173 VanDerWaalsContact C-N 3.25Å; H171-K173 PolarHBondContact O-N 3.09Å
174	F	93.6	Very high	95.1	Very high	61 Å²	61	67.9 Å²	67.9	27%	0.268	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-107	11.1	-177.1	-57.8	-56.3	0	0	0	113.3	H171 K172 G176 Y177 Y178 F282	H171-F174 HydrophobicContact CB-CD2 4.45Å; H171-F174 WeakPolarHBondContact O-CA 3.38Å; H171-F174 WeakPolarHBondContact O-CB 3.31Å; H171-F174 PolarHBondContact O-N 3.31Å; K172-F174 PolarHBondContact O-N 2.94Å; F174-G176 PolarHBondContact O-N 2.91Å; F174-G176 VanDerWaalsContact O-N 3.09Å; F174-Y177 HydrophobicContact CB-CD2 4.01Å; F174-Y177 AromaticContact CD1-CD2 3.95Å; F174-Y177 HydrophobicContact CD1-CD2 3.95Å; F174-Y177 AromaticContact CD1-CE2 3.95Å; F174-Y177 HydrophobicContact CD1-CE2 3.95Å; F174-Y177 HydrophobicContact CG-CD2 4.44Å; F174-Y177 WeakPolarHBondContact O-CB 3.39Å; F174-Y177 PolarHBondContact O-N 3.27Å; F174-Y178 PolarHBondContact O-N 3.29Å; F174-F282 HydrophobicContact CB-CZ 3.87Å; F174-F282 HydrophobicContact CD1-CE1 4.32Å; F174-F282 AromaticContact CD1-CZ 3.95Å; F174-F282 HydrophobicContact CD1-CZ 3.95Å; F174-F282 HydrophobicContact CD2-CZ 4.06Å; F174-F282 HydrophobicContact CE1-CZ 4.43Å; F174-F282 HydrophobicContact CG-CE1 4.5Å; F174-F282 AromaticContact CG-CZ 3.73Å; F174-F282 HydrophobicContact CG-CZ 3.73Å
175	Q	94.5	Very high	95.3	Very high	58 Å²	58	68.6 Å²	68.6	27%	0.271	33%	0.327	S	S	.	.	H	α-helix	trans	-53	-34.9	-178.8	-167.2	176	6	0	0	113	D164 K172 Y177 Y178 K179	D164-Q175 PolarHBondContact OD1-NE2 2.98Å; D164-Q175 PolarHBondContact OD2-NE2 2.73Å; K172-Q175 PolarHBondContact O-N 3.35Å; Q175-Y177 VanDerWaalsContact C-N 3.32Å; Q175-Y177 PolarHBondContact O-N 3.26Å; Q175-Y178 WeakPolarHBondContact O-CB 3.42Å; Q175-Y178 PolarHBondContact O-N 2.89Å; Q175-Y178 VanDerWaalsContact O-N 3.16Å; Q175-K179 PolarHBondContact O-N 3.31Å; Q175-K179 VanDerWaalsContact O-N 3.1Å
176	G	95.6	Very high	95.5	Very high	26 Å²	26	69.6 Å²	69.6	27%	0.268	33%	0.329	S	S	.	.	H	α-helix	trans	-57.9	-38.8	173.6	0	0	0	0	0	113.7	F174 Y178 K179 I180	F174-G176 PolarHBondContact O-N 2.91Å; F174-G176 VanDerWaalsContact O-N 3.09Å; G176-Y178 VanDerWaalsContact C-N 3.31Å; G176-Y178 PolarHBondContact O-N 3.15Å; G176-K179 PolarHBondContact O-N 2.84Å; G176-I180 VanDerWaalsContact O-CG1 3.29Å; G176-I180 WeakPolarHBondContact O-CG1 3.24Å; G176-I180 PolarHBondContact O-N 2.85Å
177	Y	96.4	Very high	95.8	Very high	58 Å²	58	63.5 Å²	63.5	23%	0.227	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-29.4	177.8	-66.5	-83.3	0	0	0	112.9	F174 Q175 S181 F282 V314 S315	F174-Y177 HydrophobicContact CB-CD2 4.01Å; F174-Y177 AromaticContact CD1-CD2 3.95Å; F174-Y177 HydrophobicContact CD1-CD2 3.95Å; F174-Y177 AromaticContact CD1-CE2 3.95Å; F174-Y177 HydrophobicContact CD1-CE2 3.95Å; F174-Y177 HydrophobicContact CG-CD2 4.44Å; F174-Y177 WeakPolarHBondContact O-CB 3.39Å; F174-Y177 PolarHBondContact O-N 3.27Å; Q175-Y177 VanDerWaalsContact C-N 3.32Å; Q175-Y177 PolarHBondContact O-N 3.26Å; Y177-S181 PolarHBondContact O-N 2.85Å; Y177-S181 VanDerWaalsContact O-N 3.09Å; Y177-F282 AromaticContact CD1-CD1 3.77Å; Y177-F282 HydrophobicContact CD1-CD1 3.77Å; Y177-F282 AromaticContact CD1-CE1 3.82Å; Y177-F282 HydrophobicContact CD1-CE1 3.82Å; Y177-F282 HydrophobicContact CD2-CD1 4.43Å; Y177-F282 AromaticContact CD2-CE1 3.66Å; Y177-F282 HydrophobicContact CD2-CE1 3.66Å; Y177-F282 HydrophobicContact CD2-CZ 4.25Å; Y177-F282 HydrophobicContact CE1-CD1 4.3Å; Y177-F282 HydrophobicContact CE1-CE1 4.23Å; Y177-F282 HydrophobicContact CE2-CE1 4.1Å; Y177-F282 AromaticContact CG-CD1 3.84Å; Y177-F282 HydrophobicContact CG-CD1 3.84Å; Y177-F282 AromaticContact CG-CE1 3.51Å; Y177-F282 HydrophobicContact CG-CE1 3.51Å; Y177-F282 HydrophobicContact CG-CZ 4.27Å; Y177-V314 HydrophobicContact CD1-CG1 4.46Å; Y177-V314 HydrophobicContact CD2-CG1 3.94Å; Y177-V314 HydrophobicContact CE1-CG1 4.35Å; Y177-V314 HydrophobicContact CE2-CG1 3.81Å; Y177-V314 HydrophobicContact CG-CG1 4.27Å; Y177-S315 WeakPolarHBondContact OH-CA 3.24Å; Y177-S315 WeakPolarHBondContact OH-CB 3.2Å
178	Y	98	Very high	96	Very high	28 Å²	28	61.9 Å²	61.9	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-44.3	172.1	-78.5	-100.2	0	0	0	111.2	I165 V167 H171 F174 Q175 G176 S181 R182 A280 S281	I165-Y178 VanDerWaalsContact CD1-C 3.46Å; I165-Y178 WeakPolarHBondContact CD1-O 3.45Å; I165-Y178 HydrophobicContact CG2-CD1 3.93Å; I165-Y178 HydrophobicContact CG2-CG 4.4Å; V167-Y178 HydrophobicContact CB-CE2 4.46Å; V167-Y178 HydrophobicContact CG1-CD1 3.88Å; V167-Y178 HydrophobicContact CG1-CD2 3.62Å; V167-Y178 HydrophobicContact CG1-CE1 3.91Å; V167-Y178 HydrophobicContact CG1-CE2 3.67Å; V167-Y178 HydrophobicContact CG1-CG 3.73Å; H171-Y178 HydrophobicContact CB-CE2 4.17Å; H171-Y178 AromaticContact ND1-CE2 3.88Å; H171-Y178 AromaticContact ND1-CZ 3.79Å; H171-Y178 PolarHBondContact ND1-OH 2.97Å; F174-Y178 PolarHBondContact O-N 3.29Å; Q175-Y178 WeakPolarHBondContact O-CB 3.42Å; Q175-Y178 PolarHBondContact O-N 2.89Å; Q175-Y178 VanDerWaalsContact O-N 3.16Å; G176-Y178 VanDerWaalsContact C-N 3.31Å; G176-Y178 PolarHBondContact O-N 3.15Å; Y178-S181 PolarHBondContact O-N 2.98Å; Y178-R182 PolarHBondContact O-N 2.66Å; Y178-A280 WeakPolarHBondContact CA-O 3.19Å; Y178-A280 HydrophobicContact CD1-CB 3.89Å; Y178-A280 WeakPolarHBondContact CD1-O 3.46Å; Y178-A280 HydrophobicContact CE1-CB 3.57Å; Y178-S281 WeakPolarHBondContact CE2-OG 3.5Å
179	K	98.3	Very high	96.3	Very high	54 Å²	54	55.2 Å²	55.2	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-44.5	176.4	-66.5	-171.6	179.4	-172.3	0	111.4	D164 I165 Q175 G176 S181 R182 H183	D164-K179 VanDerWaalsContact OD1-CE 3.31Å; D164-K179 WeakPolarHBondContact OD1-CE 3.47Å; D164-K179 IonicContact OD1-NZ 2.72Å; D164-K179 PolarHBondContact OD1-NZ 3.12Å; I165-K179 HydrophobicContact CD1-CG 4.18Å; Q175-K179 PolarHBondContact O-N 3.31Å; Q175-K179 VanDerWaalsContact O-N 3.1Å; G176-K179 PolarHBondContact O-N 2.84Å; K179-S181 PolarHBondContact O-N 3.09Å; K179-R182 PolarHBondContact O-N 2.81Å; K179-H183 WeakPolarHBondContact O-CB 3.37Å; K179-H183 PolarHBondContact O-N 3.3Å
180	I	98.4	Very high	96.7	Very high	47 Å²	47	52.3 Å²	52.3	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-50.4	173.2	-69.9	167.1	0	0	0	110.7	G176 R182 H183 Y184 V314	G176-I180 VanDerWaalsContact O-CG1 3.29Å; G176-I180 WeakPolarHBondContact O-CG1 3.24Å; G176-I180 PolarHBondContact O-N 2.85Å; I180-R182 PolarHBondContact O-N 2.81Å; I180-H183 PolarHBondContact O-N 3.35Å; I180-Y184 HydrophobicContact CG2-CD2 3.69Å; I180-Y184 HydrophobicContact CG2-CE2 3.82Å; I180-Y184 WeakPolarHBondContact O-CD2 3.39Å; I180-Y184 PolarHBondContact O-N 2.96Å; I180-V314 HydrophobicContact CD1-CB 3.9Å; I180-V314 HydrophobicContact CD1-CG1 4.07Å; I180-V314 HydrophobicContact CD1-CG2 3.67Å; I180-V314 HydrophobicContact CG1-CG2 4.45Å
181	S	98.6	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-42	-178.3	-162.9	0	0	0	0	112.4	Y177 Y178 K179 H183 R185 W278 P279 A280	Y177-S181 PolarHBondContact O-N 2.85Å; Y177-S181 VanDerWaalsContact O-N 3.09Å; Y178-S181 PolarHBondContact O-N 2.98Å; K179-S181 PolarHBondContact O-N 3.09Å; S181-H183 VanDerWaalsContact C-N 3.33Å; S181-H183 PolarHBondContact O-N 2.94Å; S181-R185 PolarHBondContact O-N 3.19Å; S181-R185 VanDerWaalsContact O-N 3.12Å; S181-W278 PolarHBondContact O-NE1 3.09Å; S181-W278 PolarHBondContact OG-NE1 3.19Å; S181-P279 PolarHBondContact OG-O 3.01Å; S181-A280 WeakPolarHBondContact CB-O 3.43Å
182	R	98.8	Very high	97.3	Very high	41 Å²	41	44.9 Å²	44.9	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-44.7	173.5	179.5	179.6	65.1	-169.2	-5.1	111.4	Q159 D161 S163 I165 Y178 K179 I180 R185 W186	Q159-R182 VanDerWaalsContact NE2-NE 3.2Å; D161-R182 VanDerWaalsContact CG-NH1 3.3Å; D161-R182 PolarHBondContact O-NE 3.41Å; D161-R182 PolarHBondContact O-NH1 3.17Å; D161-R182 PolarHBondContact O-NH2 2.84Å; D161-R182 IonicContact OD1-NH1 3.33Å; D161-R182 PolarHBondContact OD1-NH1 3.07Å; D161-R182 WeakPolarHBondContact OD2-CD 3.49Å; D161-R182 IonicContact OD2-CZ 3.78Å; D161-R182 IonicContact OD2-NE 2.78Å; D161-R182 IonicContact OD2-NH1 3.45Å; D161-R182 PolarHBondContact OD2-NH1 2.89Å; S163-R182 PolarHBondContact O-NH1 3.02Å; S163-R182 PolarHBondContact O-NH2 2.78Å; S163-R182 PolarHBondContact OG-NH1 3.32Å; I165-R182 HydrophobicContact CD1-CB 4.08Å; Y178-R182 PolarHBondContact O-N 2.66Å; K179-R182 PolarHBondContact O-N 2.81Å; I180-R182 PolarHBondContact O-N 2.81Å; R182-R185 PolarHBondContact O-N 3.02Å; R182-W186 PolarHBondContact O-N 3.02Å; R182-W186 VanDerWaalsContact O-N 3.09Å
183	H	98.9	Very high	97.6	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.023	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-47.9	-178.7	-179.3	-153.8	0	0	0	112.1	A107 S135 D137 K179 I180 S181 R185 W186 A187	A107-H183 PolarHBondContact O-CE1 2.97Å; S135-H183 PolarHBondContact O-CE1 2.98Å; S135-H183 PolarHBondContact O-NE2 2.9Å; S135-H183 PolarHBondContact OG-NE2 2.98Å; D137-H183 HydrophobicContact CB-CB 4.18Å; D137-H183 WeakPolarHBondContact CB-ND1 3.3Å; K179-H183 WeakPolarHBondContact O-CB 3.37Å; K179-H183 PolarHBondContact O-N 3.3Å; I180-H183 PolarHBondContact O-N 3.35Å; S181-H183 VanDerWaalsContact C-N 3.33Å; S181-H183 PolarHBondContact O-N 2.94Å; H183-R185 VanDerWaalsContact C-N 3.32Å; H183-R185 PolarHBondContact O-N 3.2Å; H183-W186 PolarHBondContact O-N 3.16Å; H183-A187 VanDerWaalsContact O-CB 3.29Å; H183-A187 WeakPolarHBondContact O-CB 3.44Å; H183-A187 PolarHBondContact O-N 3.3Å
184	Y	98.9	Very high	97.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-55.2	-47	175.3	-96.1	-97	0	0	0	111.6	I106 I180 W186 A187 L188 I202 E204 W264 W283	I106-Y184 HydrophobicContact CG1-CE1 4.21Å; I106-Y184 HydrophobicContact CG1-CE2 4.24Å; I106-Y184 HydrophobicContact CG2-CD2 4.35Å; I106-Y184 HydrophobicContact CG2-CE2 3.92Å; I180-Y184 HydrophobicContact CG2-CD2 3.69Å; I180-Y184 HydrophobicContact CG2-CE2 3.82Å; I180-Y184 WeakPolarHBondContact O-CD2 3.39Å; I180-Y184 PolarHBondContact O-N 2.96Å; Y184-W186 PolarHBondContact O-N 3.22Å; Y184-A187 PolarHBondContact O-N 3.19Å; Y184-L188 HydrophobicContact CD1-CD1 4.44Å; Y184-L188 WeakPolarHBondContact O-CB 3.36Å; Y184-L188 WeakPolarHBondContact O-CG 3.31Å; Y184-L188 PolarHBondContact O-N 2.81Å; Y184-I202 HydrophobicContact CE1-CG2 3.91Å; Y184-E204 WeakPolarHBondContact OH-CG 3.32Å; Y184-E204 PolarHBondContact OH-OE1 2.69Å; Y184-W264 HydrophobicContact CE1-CZ2 4.23Å; Y184-W283 HydrophobicContact CD1-CD2 4.38Å; Y184-W283 HydrophobicContact CD1-CH2 4.42Å; Y184-W283 HydrophobicContact CD1-CZ2 4.13Å; Y184-W283 AromaticContact CD2-NE1 3.73Å; Y184-W283 AromaticContact CE1-CE2 3.84Å; Y184-W283 AromaticContact CE1-CH2 3.77Å; Y184-W283 HydrophobicContact CE1-CH2 3.77Å; Y184-W283 AromaticContact CE1-CZ2 3.45Å; Y184-W283 HydrophobicContact CE1-CZ2 3.45Å; Y184-W283 VanDerWaalsContact CE1-CZ2 3.45Å; Y184-W283 HydrophobicContact CE1-CZ3 4.4Å; Y184-W283 AromaticContact CE2-CE2 3.86Å; Y184-W283 AromaticContact CE2-CZ2 3.93Å; Y184-W283 HydrophobicContact CE2-CZ2 3.93Å; Y184-W283 AromaticContact CE2-NE1 3.6Å; Y184-W283 AromaticContact CZ-CE2 3.72Å; Y184-W283 AromaticContact CZ-CZ2 3.33Å; Y184-W283 AromaticContact CZ-NE1 3.95Å; Y184-W283 WeakPolarHBondContact OH-CZ2 3.33Å
185	R	98.8	Very high	98.1	Very high	119 Å²	119	40.4 Å²	40.4	45%	0.449	19%	0.187	S	C	.	.	H	α-helix	trans	-58.6	-49	177.9	-171.4	-179.1	177	-150.4	-2.3	112.3	S181 R182 H183 N189 W271 W278	S181-R185 PolarHBondContact O-N 3.19Å; S181-R185 VanDerWaalsContact O-N 3.12Å; R182-R185 PolarHBondContact O-N 3.02Å; H183-R185 VanDerWaalsContact C-N 3.32Å; H183-R185 PolarHBondContact O-N 3.2Å; R185-N189 WeakPolarHBondContact O-CB 3.43Å; R185-N189 PolarHBondContact O-N 3.39Å; R185-N189 VanDerWaalsContact O-N 3.08Å; R185-W271 HydrophobicContact CB-CH2 4.32Å; R185-W271 HydrophobicContact CG-CH2 4.08Å; R185-W271 HydrophobicContact CG-CZ2 4.18Å; R185-W278 HydrophobicContact CB-CG 4.15Å; R185-W278 HydrophobicContact CG-CB 4.43Å; R185-W278 HydrophobicContact CG-CG 4.15Å
186	W	98.9	Very high	98.2	Very high	56 Å²	56	41.3 Å²	41.3	21%	0.212	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-45.3	179.9	179.9	82.4	0	0	0	111.7	S135 L157 K158 Q159 P160 R182 H183 Y184 N189 Q190	S135-W186 WeakPolarHBondContact OG-CZ3 3.33Å; L157-W186 HydrophobicContact CB-CH2 3.87Å; L157-W186 HydrophobicContact CB-CZ3 4.1Å; K158-W186 WeakPolarHBondContact O-CH2 3.43Å; K158-W186 WeakPolarHBondContact O-CZ2 3.26Å; Q159-W186 HydrophobicContact CB-CD2 4.4Å; Q159-W186 HydrophobicContact CB-CE3 3.89Å; Q159-W186 HydrophobicContact CB-CZ3 4.07Å; Q159-W186 HydrophobicContact CG-CB 4.32Å; Q159-W186 HydrophobicContact CG-CD2 4.07Å; Q159-W186 HydrophobicContact CG-CE3 3.9Å; Q159-W186 HydrophobicContact CG-CG 4.25Å; P160-W186 HydrophobicContact CG-CZ2 4.44Å; R182-W186 PolarHBondContact O-N 3.02Å; R182-W186 VanDerWaalsContact O-N 3.09Å; H183-W186 PolarHBondContact O-N 3.16Å; Y184-W186 PolarHBondContact O-N 3.22Å; W186-N189 WeakPolarHBondContact O-CB 3.49Å; W186-N189 PolarHBondContact O-N 3.09Å; W186-Q190 HydrophobicContact CD2-CG 4.12Å; W186-Q190 HydrophobicContact CE3-CG 4.27Å; W186-Q190 HydrophobicContact CH2-CG 3.96Å; W186-Q190 HydrophobicContact CZ2-CG 3.76Å; W186-Q190 HydrophobicContact CZ3-CG 4.21Å; W186-Q190 WeakPolarHBondContact O-CG 3.26Å; W186-Q190 PolarHBondContact O-N 2.74Å
187	A	98.9	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-44.4	-178.1	0	0	0	0	0	112.3	L104 I106 S135 H183 Y184 N189 Q190 V191	L104-A187 HydrophobicContact CD1-CB 4.3Å; L104-A187 HydrophobicContact CD2-CB 4.02Å; I106-A187 HydrophobicContact CD1-CB 3.81Å; S135-A187 WeakPolarHBondContact OG-CB 3.41Å; H183-A187 VanDerWaalsContact O-CB 3.29Å; H183-A187 WeakPolarHBondContact O-CB 3.44Å; H183-A187 PolarHBondContact O-N 3.3Å; Y184-A187 PolarHBondContact O-N 3.19Å; A187-N189 VanDerWaalsContact C-N 3.33Å; A187-N189 PolarHBondContact O-N 3.24Å; A187-Q190 WeakPolarHBondContact O-CB 3.34Å; A187-Q190 PolarHBondContact O-N 2.99Å; A187-V191 PolarHBondContact O-N 2.94Å; A187-V191 VanDerWaalsContact O-N 3.14Å
188	L	98.9	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-35.9	176.7	-69.2	167.9	0	0	0	111.5	L104 Y184 Q190 V191 F192 V200 I202 W271	L104-L188 HydrophobicContact CD2-CD2 3.9Å; L104-L188 HydrophobicContact CD2-CG 4.36Å; Y184-L188 HydrophobicContact CD1-CD1 4.44Å; Y184-L188 WeakPolarHBondContact O-CB 3.36Å; Y184-L188 WeakPolarHBondContact O-CG 3.31Å; Y184-L188 PolarHBondContact O-N 2.81Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.41Å; L188-V191 PolarHBondContact O-N 2.81Å; L188-F192 HydrophobicContact CB-CD2 4.3Å; L188-F192 HydrophobicContact CD2-CE2 3.97Å; L188-F192 VanDerWaalsContact O-CD2 3.28Å; L188-F192 WeakPolarHBondContact O-CD2 3.39Å; L188-F192 PolarHBondContact O-N 3.25Å; L188-V200 HydrophobicContact CD2-CG1 4.08Å; L188-I202 HydrophobicContact CD2-CD1 4.31Å; L188-I202 HydrophobicContact CD2-CG1 4.03Å; L188-W271 HydrophobicContact CB-CD2 3.82Å; L188-W271 HydrophobicContact CB-CE3 4Å; L188-W271 HydrophobicContact CB-CH2 3.89Å; L188-W271 HydrophobicContact CB-CZ2 3.65Å; L188-W271 HydrophobicContact CB-CZ3 4.03Å; L188-W271 HydrophobicContact CD1-CD2 4.28Å; L188-W271 HydrophobicContact CD1-CE3 3.59Å; L188-W271 HydrophobicContact CD1-CH2 3.87Å; L188-W271 HydrophobicContact CD1-CZ2 4.48Å; L188-W271 HydrophobicContact CD1-CZ3 3.35Å; L188-W271 HydrophobicContact CG-CE3 4.36Å; L188-W271 HydrophobicContact CG-CZ3 4.32Å
189	N	98.8	Very high	98.5	Very high	31 Å²	31	39.9 Å²	39.9	17%	0.166	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-38.7	170.9	-83.1	0.9	0	0	0	112.7	R185 W186 A187 V191 R193 T194 W271 E275	R185-N189 WeakPolarHBondContact O-CB 3.43Å; R185-N189 PolarHBondContact O-N 3.39Å; R185-N189 VanDerWaalsContact O-N 3.08Å; W186-N189 WeakPolarHBondContact O-CB 3.49Å; W186-N189 PolarHBondContact O-N 3.09Å; A187-N189 VanDerWaalsContact C-N 3.33Å; A187-N189 PolarHBondContact O-N 3.24Å; N189-V191 VanDerWaalsContact C-N 3.31Å; N189-V191 PolarHBondContact O-N 2.74Å; N189-R193 WeakPolarHBondContact O-CA 3.26Å; N189-R193 VanDerWaalsContact O-CB 3.23Å; N189-R193 WeakPolarHBondContact O-CB 3.33Å; N189-R193 PolarHBondContact O-N 3.2Å; N189-T194 PolarHBondContact O-N 2.86Å; N189-W271 VanDerWaalsContact OD1-CZ2 3.29Å; N189-W271 WeakPolarHBondContact OD1-CZ2 3.49Å; N189-W271 PolarHBondContact OD1-NE1 2.9Å; N189-E275 VanDerWaalsContact CG-OE1 3.28Å; N189-E275 PolarHBondContact ND2-OE1 3.17Å; N189-E275 PolarHBondContact OD1-OE1 2.81Å
190	Q	98.9	Very high	98.5	Very high	39 Å²	39	37.3 Å²	37.3	18%	0.182	18%	0.184	C	C	.	.	I	π-helix	trans	-60.6	-43.4	173.5	-63.6	-50.5	-46.7	0	0	111.4	L157 W186 A187 L188 T194 L195	L157-Q190 HydrophobicContact CD1-CB 3.75Å; L157-Q190 HydrophobicContact CD1-CG 4.05Å; W186-Q190 HydrophobicContact CD2-CG 4.12Å; W186-Q190 HydrophobicContact CE3-CG 4.27Å; W186-Q190 HydrophobicContact CH2-CG 3.96Å; W186-Q190 HydrophobicContact CZ2-CG 3.76Å; W186-Q190 HydrophobicContact CZ3-CG 4.21Å; W186-Q190 WeakPolarHBondContact O-CG 3.26Å; W186-Q190 PolarHBondContact O-N 2.74Å; A187-Q190 WeakPolarHBondContact O-CB 3.34Å; A187-Q190 PolarHBondContact O-N 2.99Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 3.41Å; Q190-T194 VanDerWaalsContact O-CB 3.31Å; Q190-T194 WeakPolarHBondContact O-CB 3.25Å; Q190-T194 PolarHBondContact O-N 3.03Å; Q190-T194 PolarHBondContact OE1-OG1 3.33Å; Q190-L195 WeakPolarHBondContact O-CB 3.17Å; Q190-L195 WeakPolarHBondContact O-CG 3.33Å; Q190-L195 PolarHBondContact O-N 3.22Å
191	V	98.7	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-67.8	-48	-179.3	176.1	0	0	0	0	112.4	P102 L104 I133 A187 L188 N189 S196 H197 V200	P102-V191 HydrophobicContact CG-CG1 4.1Å; L104-V191 HydrophobicContact CB-CG2 4.37Å; L104-V191 HydrophobicContact CD1-CG2 4.14Å; L104-V191 HydrophobicContact CD2-CG2 4.03Å; L104-V191 HydrophobicContact CG-CG2 4.41Å; I133-V191 HydrophobicContact CD1-CG2 4.14Å; A187-V191 PolarHBondContact O-N 2.94Å; A187-V191 VanDerWaalsContact O-N 3.14Å; L188-V191 PolarHBondContact O-N 2.81Å; N189-V191 VanDerWaalsContact C-N 3.31Å; N189-V191 PolarHBondContact O-N 2.74Å; V191-S196 PolarHBondContact O-N 2.83Å; V191-H197 HydrophobicContact CG1-CB 3.95Å; V191-H197 PolarHBondContact O-N 2.82Å; V191-H197 VanDerWaalsContact O-N 3.09Å; V191-V200 HydrophobicContact CG1-CB 3.83Å; V191-V200 HydrophobicContact CG1-CG1 4.4Å; V191-V200 HydrophobicContact CG1-CG2 3.94Å; V191-V200 HydrophobicContact CG2-CG2 4.38Å
192	F	98.7	Very high	98.5	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.022	17%	0.172	C	C	.	.	I	π-helix	trans	-89.8	-36.3	-171.2	-68.7	-61.9	0	0	0	114.3	L188 H197 V200 L266 R268 W271	L188-F192 HydrophobicContact CB-CD2 4.3Å; L188-F192 HydrophobicContact CD2-CE2 3.97Å; L188-F192 VanDerWaalsContact O-CD2 3.28Å; L188-F192 WeakPolarHBondContact O-CD2 3.39Å; L188-F192 PolarHBondContact O-N 3.25Å; F192-H197 WeakPolarHBondContact CD1-O 3.4Å; F192-V200 HydrophobicContact CE1-CG1 4.32Å; F192-V200 HydrophobicContact CE2-CG1 3.84Å; F192-V200 HydrophobicContact CZ-CB 4.32Å; F192-V200 HydrophobicContact CZ-CG1 3.48Å; F192-V200 VanDerWaalsContact CZ-CG1 3.48Å; F192-L266 HydrophobicContact CE2-CD2 4.18Å; F192-L266 HydrophobicContact CZ-CD2 4.46Å; F192-L266 HydrophobicContact CZ-CG 4.43Å; F192-R268 HydrophobicContact CB-CG 4.48Å; F192-R268 HydrophobicContact CD1-CB 3.68Å; F192-R268 HydrophobicContact CD1-CG 3.97Å; F192-R268 VanDerWaalsContact CE1-CA 3.44Å; F192-R268 HydrophobicContact CE1-CB 3.85Å; F192-R268 HydrophobicContact CG-CG 4.47Å; F192-W271 HydrophobicContact CD2-CB 3.56Å; F192-W271 AromaticContact CD2-CD1 3.32Å; F192-W271 HydrophobicContact CD2-CD2 4.21Å; F192-W271 AromaticContact CD2-CG 3.37Å; F192-W271 HydrophobicContact CD2-CG 3.37Å; F192-W271 HydrophobicContact CE2-CB 3.51Å; F192-W271 HydrophobicContact CE2-CD2 4.47Å; F192-W271 AromaticContact CE2-CG 3.73Å; F192-W271 HydrophobicContact CE2-CG 3.73Å; F192-W271 HydrophobicContact CG-CB 4.27Å; F192-W271 AromaticContact CG-CD1 3.84Å; F192-W271 HydrophobicContact CG-CG 4.2Å; F192-W271 HydrophobicContact CZ-CB 4.2Å
193	R	97.5	Very high	98.5	Very high	119 Å²	119	33.2 Å²	33.2	45%	0.449	17%	0.165	S	C	.	.	I	π-helix	trans	-94.3	-47.8	-177.3	-57	-67.8	-170.8	-164.4	-2.1	112	N189 E272 E275	N189-R193 WeakPolarHBondContact O-CA 3.26Å; N189-R193 VanDerWaalsContact O-CB 3.23Å; N189-R193 WeakPolarHBondContact O-CB 3.33Å; N189-R193 PolarHBondContact O-N 3.2Å; R193-E272 IonicContact CZ-OE1 2.75Å; R193-E272 IonicContact NH1-OE1 2.73Å; R193-E272 PolarHBondContact NH1-OE1 3.31Å; R193-E275 IonicContact CZ-OE2 3.75Å; R193-E275 IonicContact NE-OE2 3.27Å; R193-E275 PolarHBondContact NE-OE2 2.96Å; R193-E275 VanDerWaalsContact NE-OE2 3.17Å; R193-E275 IonicContact NH2-OE2 2.88Å; R193-E275 PolarHBondContact NH2-OE2 3.48Å
194	T	97.8	Very high	98.5	Very high	86 Å²	86	35.5 Å²	35.5	53%	0.528	18%	0.176	S	C	.	.	I	π-helix	trans	-79.6	-54.4	-176.8	-47.5	0	0	0	0	111.5	N189 Q190 S196	N189-T194 PolarHBondContact O-N 2.86Å; Q190-T194 VanDerWaalsContact O-CB 3.31Å; Q190-T194 WeakPolarHBondContact O-CB 3.25Å; Q190-T194 PolarHBondContact O-N 3.03Å; Q190-T194 PolarHBondContact OE1-OG1 3.33Å; T194-S196 VanDerWaalsContact C-N 3.35Å
195	L	97.4	Very high	98.5	Very high	74 Å²	74	35.6 Å²	35.6	39%	0.387	18%	0.177	S	C	.	.	S	Bend	trans	-86.1	-8.8	-176	-62.2	172.5	0	0	0	113.1	I133 Q190 H197	I133-L195 HydrophobicContact CD1-CD1 3.51Å; I133-L195 HydrophobicContact CG1-CD1 4.36Å; Q190-L195 WeakPolarHBondContact O-CB 3.17Å; Q190-L195 WeakPolarHBondContact O-CG 3.33Å; Q190-L195 PolarHBondContact O-N 3.22Å; L195-H197 VanDerWaalsContact C-N 3.25Å; L195-H197 PolarHBondContact O-N 3.5Å
196	S	97.4	Very high	98.4	Very high	78 Å²	78	30.6 Å²	30.6	55%	0.545	16%	0.159	S	C	.	.			trans	54.4	37	174	-62.9	0	0	0	0	114.1	V191 T194 R268	V191-S196 PolarHBondContact O-N 2.83Å; T194-S196 VanDerWaalsContact C-N 3.35Å; S196-R268 PolarHBondContact O-NH2 2.9Å
197	H	98.3	Very high	98.4	Very high	35 Å²	35	27.9 Å²	27.9	16%	0.162	15%	0.149	C	C	.	.			trans	-75.1	151.4	169.3	-68.4	-69.1	0	0	0	111.3	P102 V191 F192 L195 R268	P102-H197 HydrophobicContact CG-CB 3.86Å; V191-H197 HydrophobicContact CG1-CB 3.95Å; V191-H197 PolarHBondContact O-N 2.82Å; V191-H197 VanDerWaalsContact O-N 3.09Å; F192-H197 WeakPolarHBondContact CD1-O 3.4Å; L195-H197 VanDerWaalsContact C-N 3.25Å; L195-H197 PolarHBondContact O-N 3.5Å; H197-R268 VanDerWaalsContact C-NH2 3.25Å; H197-R268 PolarHBondContact O-NE 2.79Å; H197-R268 PolarHBondContact O-NH2 3.49Å
198	S	98.1	Very high	98.3	Very high	47 Å²	47	29.4 Å²	29.4	33%	0.329	16%	0.155	S	C	.	.	S	Bend	trans	-92.7	-20.1	179.8	59.2	0	0	0	0	113.2	R268	S198-R268 WeakPolarHBondContact O-CB 3.46Å; S198-R268 PolarHBondContact O-N 3.14Å
199	S	98.6	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	166.9	176.8	57.3	0	0	0	0	110	P102 H221 L266	P102-S199 WeakPolarHBondContact CD-O 3.12Å; P102-S199 VanDerWaalsContact CG-O 3.23Å; P102-S199 WeakPolarHBondContact CG-O 3.17Å; S199-H221 PolarHBondContact OG-CD2 3.39Å; S199-H221 VanDerWaalsContact OG-CD2 3.31Å; S199-H221 PolarHBondContact OG-NE2 2.88Å; S199-L266 CarbonylContact C-O 3.58Å; S199-L266 VanDerWaalsContact CA-O 3.27Å; S199-L266 WeakPolarHBondContact CA-O 3.43Å
200	V	98.9	Very high	98.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	145.9	175	63.9	0	0	0	0	110.2	P102 L104 L188 V191 F192 I202 M265 L266	P102-V200 HydrophobicContact CG-CB 4.1Å; P102-V200 HydrophobicContact CG-CG2 4.06Å; L104-V200 HydrophobicContact CB-CG2 3.49Å; L104-V200 VanDerWaalsContact CB-CG2 3.49Å; L188-V200 HydrophobicContact CD2-CG1 4.08Å; V191-V200 HydrophobicContact CG1-CB 3.83Å; V191-V200 HydrophobicContact CG1-CG1 4.4Å; V191-V200 HydrophobicContact CG1-CG2 3.94Å; V191-V200 HydrophobicContact CG2-CG2 4.38Å; F192-V200 HydrophobicContact CE1-CG1 4.32Å; F192-V200 HydrophobicContact CE2-CG1 3.84Å; F192-V200 HydrophobicContact CZ-CB 4.32Å; F192-V200 HydrophobicContact CZ-CG1 3.48Å; F192-V200 VanDerWaalsContact CZ-CG1 3.48Å; V200-I202 HydrophobicContact CG1-CD1 3.69Å; V200-I202 HydrophobicContact CG1-CG1 4.19Å; V200-M265 CarbonylContact O-C 3.58Å; V200-M265 WeakPolarHBondContact O-CA 3.48Å; V200-L266 HydrophobicContact CG1-CB 4.36Å; V200-L266 PolarHBondContact N-O 2.7Å; V200-L266 PolarHBondContact O-N 2.76Å
201	V	98.9	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.2	165.6	177.8	0	0	0	0	108.6	I101 P102 I103 L104 V203 F213 F217 W264 M265	I101-V201 HydrophobicContact CG2-CG2 3.75Å; P102-V201 PolarHBondContact O-N 3.11Å; I103-V201 CarbonylContact C-O 3.4Å; I103-V201 WeakPolarHBondContact CA-O 3.3Å; I103-V201 HydrophobicContact CD1-CB 3.77Å; I103-V201 HydrophobicContact CD1-CG1 4.26Å; I103-V201 HydrophobicContact CD1-CG2 4.28Å; L104-V201 PolarHBondContact N-O 2.89Å; V201-V203 HydrophobicContact CG1-CG2 4.21Å; V201-F213 HydrophobicContact CG1-CE1 4.04Å; V201-F213 HydrophobicContact CG1-CZ 3.6Å; V201-F217 HydrophobicContact CG1-CD2 3.9Å; V201-F217 HydrophobicContact CG1-CE1 4.31Å; V201-F217 HydrophobicContact CG1-CE2 3.62Å; V201-F217 HydrophobicContact CG1-CG 4.39Å; V201-F217 HydrophobicContact CG1-CZ 3.84Å; V201-F217 HydrophobicContact CG2-CB 4.08Å; V201-F217 HydrophobicContact CG2-CD1 3.8Å; V201-F217 HydrophobicContact CG2-CD2 3.95Å; V201-F217 HydrophobicContact CG2-CE1 4.2Å; V201-F217 HydrophobicContact CG2-CE2 4.37Å; V201-F217 HydrophobicContact CG2-CG 3.65Å; V201-F217 HydrophobicContact CG2-CZ 4.48Å; V201-W264 CarbonylContact C-O 3.57Å; V201-W264 WeakPolarHBondContact CA-O 3.34Å; V201-M265 HydrophobicContact CG2-CB 4.09Å; V201-M265 HydrophobicContact CG2-CE 3.75Å; V201-M265 HydrophobicContact CG2-CG 4.26Å
202	I	98.9	Very high	98.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.9	-179.4	-52.8	87.8	0	0	0	109.9	L104 I106 Y184 L188 V200 G263 W264 L266	L104-I202 HydrophobicContact CD2-CG1 4.38Å; L104-I202 WeakPolarHBondContact O-CA 3.37Å; I106-I202 HydrophobicContact CG1-CG2 3.85Å; Y184-I202 HydrophobicContact CE1-CG2 3.91Å; L188-I202 HydrophobicContact CD2-CD1 4.31Å; L188-I202 HydrophobicContact CD2-CG1 4.03Å; V200-I202 HydrophobicContact CG1-CD1 3.69Å; V200-I202 HydrophobicContact CG1-CG1 4.19Å; I202-G263 CarbonylContact O-C 3.55Å; I202-G263 WeakPolarHBondContact O-CA 3.41Å; I202-W264 HydrophobicContact CB-CD2 4.43Å; I202-W264 HydrophobicContact CB-CZ2 4.25Å; I202-W264 HydrophobicContact CD1-CD2 3.87Å; I202-W264 HydrophobicContact CD1-CE3 3.89Å; I202-W264 HydrophobicContact CD1-CH2 3.91Å; I202-W264 HydrophobicContact CD1-CZ2 3.86Å; I202-W264 HydrophobicContact CD1-CZ3 3.93Å; I202-W264 VanDerWaalsContact CD1-O 3.28Å; I202-W264 WeakPolarHBondContact CD1-O 3.29Å; I202-W264 HydrophobicContact CG1-CZ2 4.08Å; I202-W264 PolarHBondContact N-O 2.97Å; I202-W264 PolarHBondContact O-N 3.19Å; I202-L266 HydrophobicContact CD1-CB 3.98Å
203	V	98.9	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.7	-179.6	-176	0	0	0	0	108.6	I103 L104 V105 I106 V201 L207 F213	I103-V203 HydrophobicContact CG2-CB 4.46Å; I103-V203 HydrophobicContact CG2-CG2 3.82Å; L104-V203 PolarHBondContact O-N 3.31Å; V105-V203 CarbonylContact C-O 3.54Å; V105-V203 VanDerWaalsContact CA-O 3.23Å; V105-V203 WeakPolarHBondContact CA-O 3.33Å; I106-V203 PolarHBondContact N-O 3.19Å; V201-V203 HydrophobicContact CG1-CG2 4.21Å; V203-L207 HydrophobicContact CG1-CB 3.82Å; V203-L207 HydrophobicContact CG1-CD1 4.02Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; V203-F213 HydrophobicContact CG2-CZ 3.74Å
204	E	98.7	Very high	98.4	Very high	53 Å²	53	23 Å²	23	25%	0.248	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	153.8	172.4	-62	-166.1	166.5	0	0	110.9	Y184 D206 L207	Y184-E204 WeakPolarHBondContact OH-CG 3.32Å; Y184-E204 PolarHBondContact OH-OE1 2.69Å; E204-D206 PolarHBondContact O-N 2.87Å; E204-L207 HydrophobicContact CB-CD1 4.42Å; E204-L207 HydrophobicContact CB-CG 4.29Å; E204-L207 PolarHBondContact O-N 3.37Å
205	D	98.1	Very high	98.4	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.027	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.2	-175.6	67.2	-13.6	0	0	0	115.2	I106 A107 R110 V113 C116 F309	I106-D205 WeakPolarHBondContact O-CB 3.32Å; I106-D205 PolarHBondContact O-N 3.21Å; A107-D205 HydrophobicContact CB-CB 3.97Å; R110-D205 IonicContact CZ-OD1 3.33Å; R110-D205 VanDerWaalsContact CZ-OD1 3.24Å; R110-D205 IonicContact NE-OD1 3.61Å; R110-D205 PolarHBondContact NE-OD1 3.49Å; R110-D205 IonicContact NE-OD2 3.59Å; R110-D205 IonicContact NH2-OD1 2.86Å; R110-D205 PolarHBondContact NH2-OD1 3.35Å; V113-D205 HydrophobicContact CB-CB 3.88Å; V113-D205 HydrophobicContact CG2-CB 3.68Å; C116-D205 WeakPolarHBondContact CB-O 3.46Å; D205-F309 WeakPolarHBondContact O-CZ 3.47Å
206	D	97.1	Very high	98.5	Very high	13 Å²	13	17 Å²	17	7%	0.07	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	13.5	175.5	70.2	22.4	0	0	0	115.1	R110 E204 T308 F309 G310	R110-D206 IonicContact CZ-OD2 2.73Å; R110-D206 IonicContact NH1-OD2 2.83Å; R110-D206 PolarHBondContact NH1-OD2 2.89Å; R110-D206 VanDerWaalsContact NH2-CG 3.29Å; R110-D206 IonicContact NH2-OD2 3.44Å; R110-D206 PolarHBondContact NH2-OD2 2.78Å; E204-D206 PolarHBondContact O-N 2.87Å; D206-T308 CarbonylContact O-C 3.52Å; D206-T308 WeakPolarHBondContact O-CA 3.37Å; D206-T308 PolarHBondContact O-OG1 3.08Å; D206-T308 PolarHBondContact OD1-OG1 3.49Å; D206-F309 VanDerWaalsContact C-CE1 3.47Å; D206-F309 HydrophobicContact CB-CD2 4.32Å; D206-F309 HydrophobicContact CB-CE2 4.14Å; D206-F309 WeakPolarHBondContact O-CD1 3.36Å; D206-F309 WeakPolarHBondContact O-CE1 3.35Å; D206-F309 WeakPolarHBondContact O-CG 3.38Å; D206-F309 PolarHBondContact O-N 3.18Å; D206-G310 WeakPolarHBondContact OD2-CA 3.43Å
207	L	98.3	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.3	175.8	-58.5	-176.1	0	0	0	112.2	C116 V203 E204 L262 T306 L307 F309	C116-L207 WeakPolarHBondContact CA-O 3.2Å; C116-L207 VanDerWaalsContact CB-O 3.23Å; C116-L207 WeakPolarHBondContact CB-O 3.35Å; C116-L207 PolarHBondContact SG-O 3.45Å; C116-L207 VanDerWaalsContact SG-O 3.34Å; V203-L207 HydrophobicContact CG1-CB 3.82Å; V203-L207 HydrophobicContact CG1-CD1 4.02Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; E204-L207 HydrophobicContact CB-CD1 4.42Å; E204-L207 HydrophobicContact CB-CG 4.29Å; E204-L207 PolarHBondContact O-N 3.37Å; L207-L262 HydrophobicContact CD2-CD2 4.12Å; L207-T306 HydrophobicContact CD1-CG2 4.4Å; L207-L307 CarbonylContact C-O 3.57Å; L207-L307 VanDerWaalsContact CA-O 3.31Å; L207-L307 WeakPolarHBondContact CA-O 3.46Å; L207-F309 VanDerWaalsContact C-CE1 3.47Å; L207-F309 WeakPolarHBondContact O-CE1 3.44Å
208	E	97.8	Very high	98.6	Very high	31 Å²	31	13.4 Å²	13.4	15%	0.145	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.9	165.5	172.6	168.3	157.4	0	0	109.1	R115 K119 T306 L307 F309 L329	R115-E208 IonicContact CZ-OE2 2.76Å; R115-E208 IonicContact NE-OE2 2.93Å; R115-E208 PolarHBondContact NE-OE2 3.47Å; R115-E208 IonicContact NH2-OE2 3.83Å; R115-E208 PolarHBondContact NH2-OE2 3.33Å; K119-E208 HydrophobicContact CB-CG 4.35Å; K119-E208 HydrophobicContact CD-CG 4.24Å; K119-E208 HydrophobicContact CG-CG 3.89Å; E208-T306 CarbonylContact O-C 3.43Å; E208-T306 VanDerWaalsContact O-CA 3.24Å; E208-T306 WeakPolarHBondContact O-CA 3.38Å; E208-L307 HydrophobicContact CB-CD1 4.04Å; E208-L307 HydrophobicContact CB-CG 4.05Å; E208-L307 PolarHBondContact N-O 3.37Å; E208-L307 PolarHBondContact O-N 3.14Å; E208-F309 HydrophobicContact CB-CD1 4.08Å; E208-F309 HydrophobicContact CB-CE1 4.09Å; E208-L329 HydrophobicContact CG-CD2 4.2Å
209	V	98.8	Very high	98.6	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.024	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.6	-173	-61.1	0	0	0	0	112.6	K119 L120 L123 F213 R305 T306	K119-V209 HydrophobicContact CB-CG2 4.28Å; L120-V209 HydrophobicContact CD2-CG1 3.79Å; L120-V209 HydrophobicContact CD2-CG2 4.03Å; L120-V209 HydrophobicContact CG-CG1 4.37Å; L120-V209 HydrophobicContact CG-CG2 4.35Å; L123-V209 HydrophobicContact CD1-CG2 4.02Å; V209-F213 HydrophobicContact CB-CB 3.88Å; V209-F213 HydrophobicContact CB-CD1 4.29Å; V209-F213 HydrophobicContact CB-CD2 3.73Å; V209-F213 HydrophobicContact CB-CE2 4.28Å; V209-F213 HydrophobicContact CB-CG 3.73Å; V209-F213 HydrophobicContact CG1-CD1 4.14Å; V209-F213 HydrophobicContact CG1-CD2 3.59Å; V209-F213 HydrophobicContact CG1-CE1 4.18Å; V209-F213 HydrophobicContact CG1-CE2 3.6Å; V209-F213 HydrophobicContact CG1-CG 3.86Å; V209-F213 HydrophobicContact CG1-CZ 3.92Å; V209-F213 HydrophobicContact CG2-CB 4.44Å; V209-F213 HydrophobicContact CG2-CG 4.48Å; V209-R305 CarbonylContact C-O 3.46Å; V209-R305 WeakPolarHBondContact CA-O 3.35Å; V209-T306 HydrophobicContact CG1-CG2 4.17Å
210	A	98.7	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.			trans	-78.2	159.9	178	0	0	0	0	0	112.4	D212 F213 R305 L329 N330	A210-D212 PolarHBondContact O-N 3.48Å; A210-D212 VanDerWaalsContact O-N 3.09Å; A210-F213 WeakPolarHBondContact O-CB 3.25Å; A210-F213 PolarHBondContact O-N 3.05Å; A210-R305 HydrophobicContact CB-CB 4.18Å; A210-R305 HydrophobicContact CB-CG 4.07Å; A210-R305 WeakPolarHBondContact CB-O 3.33Å; A210-R305 PolarHBondContact N-O 3.25Å; A210-L329 HydrophobicContact CB-CD1 3.77Å; A210-L329 HydrophobicContact CB-CG 4.18Å; A210-N330 HydrophobicContact CB-CB 4.09Å; A210-N330 VanDerWaalsContact CB-O 3.31Å; A210-N330 WeakPolarHBondContact CB-O 3.36Å
211	P	98.8	Very high	98.6	Very high	51 Å²	51	11.8 Å²	11.8	33%	0.331	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.6	-179.4	-26.8	35.9	0	0	0	115.2	L123 N330 F333	L123-P211 HydrophobicContact CD2-CB 4.34Å; P211-N330 VanDerWaalsContact CD-O 3.22Å; P211-N330 WeakPolarHBondContact CD-O 3.31Å; P211-F333 WeakPolarHBondContact O-CD2 3.37Å
212	D	98.8	Very high	98.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	15.1	179	62.5	-11.9	0	0	0	113.6	A210 F214 E215 Y216 R305 N330 F333 V334	A210-D212 PolarHBondContact O-N 3.48Å; A210-D212 VanDerWaalsContact O-N 3.09Å; D212-F214 PolarHBondContact O-N 3.13Å; D212-E215 HydrophobicContact CB-CB 4.33Å; D212-E215 WeakPolarHBondContact O-CB 3.32Å; D212-E215 PolarHBondContact O-N 2.87Å; D212-Y216 VanDerWaalsContact O-CB 3.25Å; D212-Y216 WeakPolarHBondContact O-CB 3.47Å; D212-Y216 PolarHBondContact O-N 3.38Å; D212-R305 WeakPolarHBondContact OD1-CG 3.28Å; D212-R305 IonicContact OD1-NE 3.21Å; D212-R305 PolarHBondContact OD1-NE 2.88Å; D212-R305 IonicContact OD2-CZ 3.98Å; D212-R305 IonicContact OD2-NE 3.01Å; D212-R305 PolarHBondContact OD2-NE 2.77Å; D212-R305 IonicContact OD2-NH2 3.79Å; D212-R305 PolarHBondContact OD2-NH2 2.84Å; D212-N330 VanDerWaalsContact CG-ND2 3.27Å; D212-N330 PolarHBondContact OD1-ND2 3.33Å; D212-N330 PolarHBondContact OD2-ND2 3.23Å; D212-F333 HydrophobicContact CB-CD2 3.77Å; D212-F333 HydrophobicContact CB-CE2 4.06Å; D212-F333 HydrophobicContact CB-CG 4.22Å; D212-V334 PolarHBondContact OD2-N 3.22Å
213	F	98.9	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.9	-49.1	-177.3	178.1	-90.9	0	0	0	113.1	I103 L120 V201 V203 V209 A210 Y216 F217 A235 R305 T306	I103-F213 HydrophobicContact CD1-CE1 4.22Å; L120-F213 HydrophobicContact CD2-CE1 4.18Å; V201-F213 HydrophobicContact CG1-CE1 4.04Å; V201-F213 HydrophobicContact CG1-CZ 3.6Å; V203-F213 HydrophobicContact CG2-CZ 3.74Å; V209-F213 HydrophobicContact CB-CB 3.88Å; V209-F213 HydrophobicContact CB-CD1 4.29Å; V209-F213 HydrophobicContact CB-CD2 3.73Å; V209-F213 HydrophobicContact CB-CE2 4.28Å; V209-F213 HydrophobicContact CB-CG 3.73Å; V209-F213 HydrophobicContact CG1-CD1 4.14Å; V209-F213 HydrophobicContact CG1-CD2 3.59Å; V209-F213 HydrophobicContact CG1-CE1 4.18Å; V209-F213 HydrophobicContact CG1-CE2 3.6Å; V209-F213 HydrophobicContact CG1-CG 3.86Å; V209-F213 HydrophobicContact CG1-CZ 3.92Å; V209-F213 HydrophobicContact CG2-CB 4.44Å; V209-F213 HydrophobicContact CG2-CG 4.48Å; A210-F213 WeakPolarHBondContact O-CB 3.25Å; A210-F213 PolarHBondContact O-N 3.05Å; F213-Y216 WeakPolarHBondContact O-CB 3.28Å; F213-Y216 PolarHBondContact O-N 2.97Å; F213-F217 HydrophobicContact CD1-CD2 4.17Å; F213-F217 HydrophobicContact CD1-CE2 4.43Å; F213-F217 HydrophobicContact CD2-CD2 4.32Å; F213-F217 AromaticContact CD2-CE2 3.89Å; F213-F217 HydrophobicContact CD2-CE2 3.89Å; F213-F217 AromaticContact CE1-CD2 3.92Å; F213-F217 HydrophobicContact CE1-CD2 3.92Å; F213-F217 AromaticContact CE1-CE2 3.99Å; F213-F217 HydrophobicContact CE1-CE2 3.99Å; F213-F217 HydrophobicContact CE2-CD2 4.11Å; F213-F217 AromaticContact CE2-CE2 3.42Å; F213-F217 HydrophobicContact CE2-CE2 3.42Å; F213-F217 VanDerWaalsContact CE2-CE2 3.42Å; F213-F217 HydrophobicContact CE2-CZ 4.42Å; F213-F217 HydrophobicContact CG-CD2 4.36Å; F213-F217 HydrophobicContact CG-CE2 4.38Å; F213-F217 AromaticContact CZ-CD2 3.89Å; F213-F217 HydrophobicContact CZ-CD2 3.89Å; F213-F217 AromaticContact CZ-CE2 3.46Å; F213-F217 HydrophobicContact CZ-CE2 3.46Å; F213-F217 VanDerWaalsContact CZ-CE2 3.46Å; F213-F217 VanDerWaalsContact O-CD2 3.29Å; F213-F217 WeakPolarHBondContact O-CD2 3.45Å; F213-F217 PolarHBondContact O-N 3.36Å; F213-A235 HydrophobicContact CD2-CB 4.45Å; F213-A235 HydrophobicContact CE2-CB 4.23Å; F213-R305 HydrophobicContact CD2-CB 4.3Å; F213-T306 HydrophobicContact CD2-CG2 4.11Å; F213-T306 HydrophobicContact CE2-CG2 3.7Å
214	F	98.9	Very high	98.5	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-70.2	-35.3	179.6	-65.9	-84.8	0	0	0	112.7	I103 L120 L123 R124 P125 Y130 D212 R218	I103-F214 HydrophobicContact CD1-CD1 4.31Å; I103-F214 HydrophobicContact CD1-CE1 3.83Å; I103-F214 HydrophobicContact CG1-CE1 3.71Å; I103-F214 HydrophobicContact CG1-CZ 4.39Å; L120-F214 HydrophobicContact CD2-CE2 4.46Å; L120-F214 HydrophobicContact CD2-CZ 3.96Å; L120-F214 WeakPolarHBondContact O-CE2 3.49Å; L120-F214 WeakPolarHBondContact O-CZ 3.29Å; L123-F214 HydrophobicContact CB-CD2 4.34Å; L123-F214 HydrophobicContact CB-CE2 4.13Å; L123-F214 VanDerWaalsContact O-CD2 3.22Å; L123-F214 WeakPolarHBondContact O-CD2 3.42Å; R124-F214 HydrophobicContact CB-CE1 4.44Å; R124-F214 HydrophobicContact CB-CE2 4.13Å; R124-F214 HydrophobicContact CB-CZ 3.9Å; R124-F214 HydrophobicContact CG-CE1 4.37Å; R124-F214 HydrophobicContact CG-CZ 4.31Å; P125-F214 HydrophobicContact CG-CB 3.99Å; P125-F214 HydrophobicContact CG-CG 4.37Å; Y130-F214 AromaticContact CD1-CD1 3.55Å; Y130-F214 HydrophobicContact CD1-CD1 3.55Å; Y130-F214 HydrophobicContact CD1-CE1 4.14Å; Y130-F214 HydrophobicContact CD2-CD1 4.22Å; Y130-F214 HydrophobicContact CE1-CB 4.32Å; Y130-F214 AromaticContact CE1-CD1 3.89Å; Y130-F214 HydrophobicContact CE1-CD1 3.89Å; Y130-F214 AromaticContact CG-CD1 3.67Å; Y130-F214 HydrophobicContact CG-CD1 3.67Å; Y130-F214 HydrophobicContact CG-CE1 4.05Å; Y130-F214 PolarHBondContact OH-O 2.74Å; D212-F214 PolarHBondContact O-N 3.13Å; F214-R218 VanDerWaalsContact O-CB 3.26Å; F214-R218 WeakPolarHBondContact O-CB 3.33Å; F214-R218 PolarHBondContact O-N 2.79Å
215	E	98.8	Very high	98.5	Very high	32 Å²	32	18.3 Å²	18.3	15%	0.15	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-43.7	176.2	176.4	63.1	-169.7	0	0	111.1	D212 R218 A219 F333 V334 P335 F336 T337	D212-E215 HydrophobicContact CB-CB 4.33Å; D212-E215 WeakPolarHBondContact O-CB 3.32Å; D212-E215 PolarHBondContact O-N 2.87Å; E215-R218 PolarHBondContact O-N 2.94Å; E215-A219 WeakPolarHBondContact O-CB 3.3Å; E215-A219 PolarHBondContact O-N 3.23Å; E215-A219 VanDerWaalsContact O-N 3.08Å; E215-F333 HydrophobicContact CB-CE2 4.06Å; E215-F333 HydrophobicContact CB-CZ 3.8Å; E215-F333 HydrophobicContact CG-CE1 4.19Å; E215-F333 HydrophobicContact CG-CE2 4.42Å; E215-F333 HydrophobicContact CG-CZ 3.72Å; E215-V334 VanDerWaalsContact CG-O 3.24Å; E215-V334 WeakPolarHBondContact CG-O 3.24Å; E215-P335 WeakPolarHBondContact OE1-CA 3.22Å; E215-F336 HydrophobicContact CG-CB 4.38Å; E215-F336 PolarHBondContact OE1-N 3.13Å; E215-T337 VanDerWaalsContact OE1-CB 3.26Å; E215-T337 WeakPolarHBondContact OE1-CB 3.14Å; E215-T337 VanDerWaalsContact OE1-CG2 3.32Å; E215-T337 WeakPolarHBondContact OE1-CG2 3.23Å; E215-T337 PolarHBondContact OE1-N 2.97Å; E215-T337 PolarHBondContact OE1-OG1 3.3Å
216	Y	98.9	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.1	-53.7	175.4	173.3	-106.2	0	0	0	111.9	D212 F213 A219 L220 V233 S234 L253 P301 R305 F336	D212-Y216 VanDerWaalsContact O-CB 3.25Å; D212-Y216 WeakPolarHBondContact O-CB 3.47Å; D212-Y216 PolarHBondContact O-N 3.38Å; F213-Y216 WeakPolarHBondContact O-CB 3.28Å; F213-Y216 PolarHBondContact O-N 2.97Å; Y216-A219 PolarHBondContact O-N 2.02Å; Y216-L220 HydrophobicContact CD1-CD1 4.3Å; Y216-L220 HydrophobicContact CD2-CD1 3.61Å; Y216-L220 HydrophobicContact CE1-CD1 3.92Å; Y216-L220 HydrophobicContact CE2-CD1 3.13Å; Y216-L220 HydrophobicContact CE2-CG 4.46Å; Y216-L220 HydrophobicContact CG-CD1 4.16Å; Y216-L220 WeakPolarHBondContact O-CB 3.4Å; Y216-L220 WeakPolarHBondContact O-CG 3.12Å; Y216-L220 PolarHBondContact O-N 2.91Å; Y216-V233 HydrophobicContact CD1-CG1 4.45Å; Y216-V233 HydrophobicContact CE1-CG1 3.53Å; Y216-S234 PolarHBondContact OH-O 2.96Å; Y216-L253 HydrophobicContact CD2-CD2 4.27Å; Y216-L253 HydrophobicContact CE2-CD1 4.05Å; Y216-L253 HydrophobicContact CE2-CD2 3.58Å; Y216-L253 HydrophobicContact CE2-CG 4.47Å; Y216-P301 HydrophobicContact CE2-CB 4.43Å; Y216-R305 HydrophobicContact CG-CG 4.3Å; Y216-F336 HydrophobicContact CD2-CD2 4.13Å; Y216-F336 HydrophobicContact CD2-CE1 4.49Å; Y216-F336 AromaticContact CD2-CE2 3.75Å; Y216-F336 HydrophobicContact CD2-CE2 3.75Å; Y216-F336 AromaticContact CD2-CZ 3.96Å; Y216-F336 HydrophobicContact CD2-CZ 3.96Å; Y216-F336 HydrophobicContact CG-CE2 4.41Å
217	F	98.9	Very high	98.5	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-36.6	179.6	-79.5	-62	0	0	0	112.8	V201 F213 A219 L220 H221 V233 A235 M265	V201-F217 HydrophobicContact CG1-CD2 3.9Å; V201-F217 HydrophobicContact CG1-CE1 4.31Å; V201-F217 HydrophobicContact CG1-CE2 3.62Å; V201-F217 HydrophobicContact CG1-CG 4.39Å; V201-F217 HydrophobicContact CG1-CZ 3.84Å; V201-F217 HydrophobicContact CG2-CB 4.08Å; V201-F217 HydrophobicContact CG2-CD1 3.8Å; V201-F217 HydrophobicContact CG2-CD2 3.95Å; V201-F217 HydrophobicContact CG2-CE1 4.2Å; V201-F217 HydrophobicContact CG2-CE2 4.37Å; V201-F217 HydrophobicContact CG2-CG 3.65Å; V201-F217 HydrophobicContact CG2-CZ 4.48Å; F213-F217 HydrophobicContact CD1-CD2 4.17Å; F213-F217 HydrophobicContact CD1-CE2 4.43Å; F213-F217 HydrophobicContact CD2-CD2 4.32Å; F213-F217 AromaticContact CD2-CE2 3.89Å; F213-F217 HydrophobicContact CD2-CE2 3.89Å; F213-F217 AromaticContact CE1-CD2 3.92Å; F213-F217 HydrophobicContact CE1-CD2 3.92Å; F213-F217 AromaticContact CE1-CE2 3.99Å; F213-F217 HydrophobicContact CE1-CE2 3.99Å; F213-F217 HydrophobicContact CE2-CD2 4.11Å; F213-F217 AromaticContact CE2-CE2 3.42Å; F213-F217 HydrophobicContact CE2-CE2 3.42Å; F213-F217 VanDerWaalsContact CE2-CE2 3.42Å; F213-F217 HydrophobicContact CE2-CZ 4.42Å; F213-F217 HydrophobicContact CG-CD2 4.36Å; F213-F217 HydrophobicContact CG-CE2 4.38Å; F213-F217 AromaticContact CZ-CD2 3.89Å; F213-F217 HydrophobicContact CZ-CD2 3.89Å; F213-F217 AromaticContact CZ-CE2 3.46Å; F213-F217 HydrophobicContact CZ-CE2 3.46Å; F213-F217 VanDerWaalsContact CZ-CE2 3.46Å; F213-F217 VanDerWaalsContact O-CD2 3.29Å; F213-F217 WeakPolarHBondContact O-CD2 3.45Å; F213-F217 PolarHBondContact O-N 3.36Å; F217-A219 VanDerWaalsContact C-N 3.33Å; F217-A219 PolarHBondContact O-N 3.31Å; F217-L220 PolarHBondContact O-N 2.75Å; F217-H221 WeakPolarHBondContact O-CB 3.33Å; F217-H221 PolarHBondContact O-N 2.74Å; F217-V233 HydrophobicContact CD1-CB 4.3Å; F217-V233 HydrophobicContact CD1-CG1 3.97Å; F217-V233 HydrophobicContact CE1-CB 4Å; F217-V233 HydrophobicContact CE1-CG1 3.7Å; F217-V233 WeakPolarHBondContact CE1-O 3.49Å; F217-A235 HydrophobicContact CE2-CB 4.22Å; F217-A235 HydrophobicContact CZ-CB 4.11Å; F217-M265 HydrophobicContact CB-CE 3.59Å; F217-M265 HydrophobicContact CD1-CB 3.73Å; F217-M265 HydrophobicContact CD1-CE 3.58Å; F217-M265 HydrophobicContact CD1-SD 4.44Å; F217-M265 HydrophobicContact CE1-CB 3.69Å; F217-M265 HydrophobicContact CG-CE 3.95Å; F217-M265 WeakPolarHBondContact O-CE 3.41Å
218	R	98.6	Very high	98.5	Very high	37 Å²	37	27 Å²	27	14%	0.14	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-46.6	175.8	-176.9	52.3	64.3	-178.8	-4.1	112.1	P99 Y130 F214 E215 P222 T337	P99-R218 VanDerWaalsContact O-CZ 3.27Å; P99-R218 PolarHBondContact O-NH1 3.46Å; P99-R218 PolarHBondContact O-NH2 3.3Å; Y130-R218 VanDerWaalsContact CZ-NH2 3.3Å; Y130-R218 WeakPolarHBondContact OH-CB 3.46Å; Y130-R218 PolarHBondContact OH-NE 2.94Å; Y130-R218 PolarHBondContact OH-NH2 3.2Å; F214-R218 VanDerWaalsContact O-CB 3.26Å; F214-R218 WeakPolarHBondContact O-CB 3.33Å; F214-R218 PolarHBondContact O-N 2.79Å; E215-R218 PolarHBondContact O-N 2.94Å; R218-P222 WeakPolarHBondContact O-CD 3.44Å; R218-T337 HydrophobicContact CB-CG2 4.1Å; R218-T337 HydrophobicContact CG-CG2 3.74Å
219	A	98.8	Very high	98.6	Very high	10 Å²	10	26.9 Å²	26.9	8%	0.083	16%	0.159	C	C	.	.	H	α-helix	trans	-70.2	-33.1	-177.7	0	0	0	0	0	112.6	E215 Y216 F217 P222 F336 T337 L341	E215-A219 WeakPolarHBondContact O-CB 3.3Å; E215-A219 PolarHBondContact O-N 3.23Å; E215-A219 VanDerWaalsContact O-N 3.08Å; Y216-A219 PolarHBondContact O-N 2.02Å; F217-A219 VanDerWaalsContact C-N 3.33Å; F217-A219 PolarHBondContact O-N 3.31Å; A219-P222 WeakPolarHBondContact O-CD 3.27Å; A219-P222 WeakPolarHBondContact O-CG 3.35Å; A219-F336 VanDerWaalsContact CB-C 3.49Å; A219-F336 HydrophobicContact CB-CB 3.41Å; A219-F336 VanDerWaalsContact CB-CB 3.41Å; A219-T337 HydrophobicContact CB-CG2 3.92Å; A219-L341 HydrophobicContact CB-CD1 3.79Å
220	L	98.8	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-91.3	-16.9	-175.9	-68.4	172.3	0	0	0	114.8	Y216 F217 V223 L224 V233 L253 I299 L341 L344	Y216-L220 HydrophobicContact CD1-CD1 4.3Å; Y216-L220 HydrophobicContact CD2-CD1 3.61Å; Y216-L220 HydrophobicContact CE1-CD1 3.92Å; Y216-L220 HydrophobicContact CE2-CD1 3.13Å; Y216-L220 HydrophobicContact CE2-CG 4.46Å; Y216-L220 HydrophobicContact CG-CD1 4.16Å; Y216-L220 WeakPolarHBondContact O-CB 3.4Å; Y216-L220 WeakPolarHBondContact O-CG 3.12Å; Y216-L220 PolarHBondContact O-N 2.91Å; F217-L220 PolarHBondContact O-N 2.75Å; L220-V223 HydrophobicContact CD2-CG2 4.31Å; L220-V223 WeakPolarHBondContact O-CB 3.25Å; L220-V223 PolarHBondContact O-N 2.79Å; L220-V223 VanDerWaalsContact O-N 3.15Å; L220-L224 PolarHBondContact O-N 3.15Å; L220-V233 HydrophobicContact CB-CG1 4.04Å; L220-V233 HydrophobicContact CB-CG2 3.88Å; L220-V233 HydrophobicContact CD1-CG1 3.48Å; L220-V233 VanDerWaalsContact CD1-CG1 3.48Å; L220-V233 HydrophobicContact CG-CG1 4.42Å; L220-L253 HydrophobicContact CD1-CD1 3.89Å; L220-L253 HydrophobicContact CD2-CD1 3.85Å; L220-L253 HydrophobicContact CG-CD1 4.28Å; L220-I299 HydrophobicContact CD1-CG2 3.9Å; L220-I299 HydrophobicContact CD2-CD1 3.74Å; L220-I299 HydrophobicContact CD2-CG2 4.13Å; L220-L341 HydrophobicContact CD2-CD1 3.8Å; L220-L341 HydrophobicContact CG-CD1 4.36Å; L220-L344 HydrophobicContact CD2-CD1 3.85Å
221	H	98.6	Very high	98.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-51.3	-52.3	172.5	179.3	-86.7	0	0	0	113.3	I101 S199 F217 V223 L224 Q225 M265	I101-H221 HydrophobicContact CD1-CB 3.9Å; S199-H221 PolarHBondContact OG-CD2 3.39Å; S199-H221 VanDerWaalsContact OG-CD2 3.31Å; S199-H221 PolarHBondContact OG-NE2 2.88Å; F217-H221 WeakPolarHBondContact O-CB 3.33Å; F217-H221 PolarHBondContact O-N 2.74Å; H221-V223 VanDerWaalsContact C-N 3.29Å; H221-V223 PolarHBondContact O-N 3.32Å; H221-L224 PolarHBondContact O-N 3.1Å; H221-Q225 PolarHBondContact CE1-NE2 2.86Å; H221-Q225 PolarHBondContact CE1-OE1 2.91Å; H221-Q225 PolarHBondContact ND1-OE1 2.94Å; H221-Q225 VanDerWaalsContact ND1-OE1 3.09Å; H221-Q225 WeakPolarHBondContact O-CG 3.5Å; H221-Q225 PolarHBondContact O-N 2.98Å; H221-M265 HydrophobicContact CB-CE 4.03Å; H221-M265 HydrophobicContact CB-SD 4.01Å
222	P	97.9	Very high	98.6	Very high	70 Å²	70	25.1 Å²	25.1	46%	0.455	15%	0.146	S	C	.	.	H	α-helix	trans	-64	-32.8	177.5	25.4	-35.1	0	0	0	113	R218 A219 Q225 S226	R218-P222 WeakPolarHBondContact O-CD 3.44Å; A219-P222 WeakPolarHBondContact O-CD 3.27Å; A219-P222 WeakPolarHBondContact O-CG 3.35Å; P222-Q225 PolarHBondContact O-N 3.17Å; P222-S226 WeakPolarHBondContact O-CB 3.21Å; P222-S226 PolarHBondContact O-N 3.3Å; P222-S226 PolarHBondContact O-OG 3.29Å; P222-S226 VanDerWaalsContact O-OG 3.08Å
223	V	98.4	Very high	98.6	Very high	12 Å²	12	25.1 Å²	25.1	7%	0.073	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-50.3	175.6	-176.1	0	0	0	0	109.9	L220 H221 Q225 S226 D227 L230 I299 L341 L344	L220-V223 HydrophobicContact CD2-CG2 4.31Å; L220-V223 WeakPolarHBondContact O-CB 3.25Å; L220-V223 PolarHBondContact O-N 2.79Å; L220-V223 VanDerWaalsContact O-N 3.15Å; H221-V223 VanDerWaalsContact C-N 3.29Å; H221-V223 PolarHBondContact O-N 3.32Å; V223-Q225 VanDerWaalsContact C-N 3.31Å; V223-Q225 PolarHBondContact O-N 3.45Å; V223-S226 PolarHBondContact O-N 2.78Å; V223-S226 PolarHBondContact O-OG 3.36Å; V223-D227 PolarHBondContact O-N 2.86Å; V223-D227 VanDerWaalsContact O-N 3.11Å; V223-L230 HydrophobicContact CG1-CD1 4.02Å; V223-I299 HydrophobicContact CB-CD1 4.34Å; V223-I299 HydrophobicContact CG1-CD1 3.73Å; V223-L341 HydrophobicContact CG2-CB 4.16Å; V223-L344 HydrophobicContact CG1-CB 4.39Å
224	L	98.7	Very high	98.6	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-38.2	177.2	179.2	60.9	0	0	0	112.5	L220 H221 L230 V233 M265 L267	L220-L224 PolarHBondContact O-N 3.15Å; H221-L224 PolarHBondContact O-N 3.1Å; L224-L230 HydrophobicContact CD1-CB 3.71Å; L224-V233 HydrophobicContact CB-CG2 4.08Å; L224-V233 HydrophobicContact CD2-CG2 4.15Å; L224-M265 HydrophobicContact CD2-CB 4.34Å; L224-M265 HydrophobicContact CD2-CG 3.94Å; L224-M265 HydrophobicContact CD2-SD 3.88Å; L224-L267 HydrophobicContact CD2-CD1 4.4Å; L224-L267 HydrophobicContact CD2-CD2 3.99Å; L224-L267 HydrophobicContact CD2-CG 3.82Å; L224-L267 HydrophobicContact CG-CD1 3.91Å; L224-L267 HydrophobicContact CG-CD2 4.3Å; L224-L267 HydrophobicContact CG-CG 3.9Å
225	Q	97.9	Very high	98.6	Very high	105 Å²	105	24.9 Å²	24.9	49%	0.491	15%	0.145	S	C	.	.	H	α-helix	trans	-70.1	-35.5	177.2	-73.5	-174	-52.6	0	0	113.3	H221 P222 V223 L267	H221-Q225 PolarHBondContact CE1-NE2 2.86Å; H221-Q225 PolarHBondContact CE1-OE1 2.91Å; H221-Q225 PolarHBondContact ND1-OE1 2.94Å; H221-Q225 VanDerWaalsContact ND1-OE1 3.09Å; H221-Q225 WeakPolarHBondContact O-CG 3.5Å; H221-Q225 PolarHBondContact O-N 2.98Å; P222-Q225 PolarHBondContact O-N 3.17Å; V223-Q225 VanDerWaalsContact C-N 3.31Å; V223-Q225 PolarHBondContact O-N 3.45Å; Q225-L267 HydrophobicContact CB-CD1 4.5Å; Q225-L267 HydrophobicContact CG-CD1 3.96Å; Q225-L267 HydrophobicContact CG-CD2 4Å
226	S	97.6	Very high	98.6	Very high	71 Å²	71	23.4 Å²	23.4	50%	0.497	14%	0.138	S	C	.	.	H	α-helix	trans	-82.7	-25.9	-174.8	66.7	0	0	0	0	114.3	P222 V223 P228 Q345	P222-S226 WeakPolarHBondContact O-CB 3.21Å; P222-S226 PolarHBondContact O-N 3.3Å; P222-S226 PolarHBondContact O-OG 3.29Å; P222-S226 VanDerWaalsContact O-OG 3.08Å; V223-S226 PolarHBondContact O-N 2.78Å; V223-S226 PolarHBondContact O-OG 3.36Å; S226-P228 WeakPolarHBondContact O-CD 3.38Å; S226-Q345 PolarHBondContact OG-NE2 3.24Å; S226-Q345 VanDerWaalsContact OG-NE2 3.11Å
227	D	98.4	Very high	98.6	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.053	14%	0.139	C	C	.	.			trans	-109.9	101.7	-172.5	-175	-4.8	0	0	0	111.1	V223 S229 L230 R255 E346	V223-D227 PolarHBondContact O-N 2.86Å; V223-D227 VanDerWaalsContact O-N 3.11Å; D227-S229 PolarHBondContact O-N 2.81Å; D227-S229 VanDerWaalsContact O-N 3.14Å; D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 3.09Å; D227-S229 PolarHBondContact OD1-OG 3.18Å; D227-S229 PolarHBondContact OD2-OG 3.11Å; D227-S229 VanDerWaalsContact OD2-OG 3.13Å; D227-L230 HydrophobicContact CB-CD1 4.05Å; D227-L230 HydrophobicContact CB-CG 4.27Å; D227-L230 WeakPolarHBondContact O-CB 3.31Å; D227-L230 PolarHBondContact O-N 2.78Å; D227-R255 IonicContact OD2-CZ 2.72Å; D227-R255 IonicContact OD2-NH1 3.11Å; D227-R255 PolarHBondContact OD2-NH1 2.92Å; D227-R255 IonicContact OD2-NH2 3.16Å; D227-E346 PolarHBondContact OD2-N 3.15Å
228	P	98	Very high	98.5	Very high	118 Å²	118	23.6 Å²	23.6	77%	0.766	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.9	-178.6	29.7	-36.2	0	0	0	113.7	S226	S226-P228 WeakPolarHBondContact O-CD 3.38Å
229	S	98.7	Very high	98.4	Very high	30 Å²	30	22.1 Å²	22.1	21%	0.21	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8	171.4	75.1	0	0	0	0	112.4	D227 R255 R296 A297 E346	D227-S229 PolarHBondContact O-N 2.81Å; D227-S229 VanDerWaalsContact O-N 3.14Å; D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 3.09Å; D227-S229 PolarHBondContact OD1-OG 3.18Å; D227-S229 PolarHBondContact OD2-OG 3.11Å; D227-S229 VanDerWaalsContact OD2-OG 3.13Å; S229-R255 PolarHBondContact OG-NH2 2.81Å; S229-R296 CarbonylContact O-C 3.49Å; S229-R296 WeakPolarHBondContact O-CA 3.12Å; S229-R296 WeakPolarHBondContact O-CB 3.38Å; S229-A297 PolarHBondContact O-N 2.88Å; S229-E346 VanDerWaalsContact OG-CB 3.27Å; S229-E346 WeakPolarHBondContact OG-CB 3.23Å
230	L	98.9	Very high	98.3	Very high	9 Å²	9	21.6 Å²	21.6	5%	0.047	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.8	167.4	-67.2	172.6	0	0	0	110.9	V223 L224 D227 R255 A297 I299	V223-L230 HydrophobicContact CG1-CD1 4.02Å; L224-L230 HydrophobicContact CD1-CB 3.71Å; D227-L230 HydrophobicContact CB-CD1 4.05Å; D227-L230 HydrophobicContact CB-CG 4.27Å; D227-L230 WeakPolarHBondContact O-CB 3.31Å; D227-L230 PolarHBondContact O-N 2.78Å; L230-R255 VanDerWaalsContact CD2-NH1 3.33Å; L230-R255 VanDerWaalsContact CG-NH1 3.35Å; L230-A297 VanDerWaalsContact CA-O 3.25Å; L230-A297 WeakPolarHBondContact CA-O 3.14Å; L230-A297 HydrophobicContact CD2-CB 4.18Å; L230-A297 VanDerWaalsContact CD2-O 3.26Å; L230-A297 WeakPolarHBondContact CD2-O 3.42Å; L230-I299 HydrophobicContact CD1-CD1 3.61Å; L230-I299 HydrophobicContact CD1-CG1 3.84Å; L230-I299 HydrophobicContact CD2-CG1 3.91Å
231	W	98.6	Very high	98.1	Very high	8 Å²	8	24.3 Å²	24.3	3%	0.03	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	-9.4	172.1	74.1	-34.9	0	0	0	114.3	F259 L274 M287 R293 R296 A297 C298	W231-F259 HydrophobicContact CZ2-CB 4.03Å; W231-F259 HydrophobicContact CZ2-CD2 4.19Å; W231-F259 HydrophobicContact CZ2-CG 4.24Å; W231-L274 HydrophobicContact CZ3-CD1 4.44Å; W231-L274 HydrophobicContact CZ3-CD2 4.34Å; W231-M287 HydrophobicContact CH2-CB 3.87Å; W231-M287 HydrophobicContact CH2-CE 3.72Å; W231-M287 HydrophobicContact CH2-CG 4.33Å; W231-M287 WeakPolarHBondContact CH2-O 3.42Å; W231-M287 HydrophobicContact CZ2-CE 4.34Å; W231-M287 HydrophobicContact CZ3-CE 3.83Å; W231-R293 HydrophobicContact CH2-CB 4.3Å; W231-R293 HydrophobicContact CZ2-CB 4.1Å; W231-R293 HydrophobicContact CZ2-CG 4.03Å; W231-R296 HydrophobicContact CB-CB 4.02Å; W231-R296 HydrophobicContact CG-CB 3.93Å; W231-A297 VanDerWaalsContact CD1-O 3.27Å; W231-A297 PolarHBondContact N-O 3.2Å; W231-A297 VanDerWaalsContact N-O 3.07Å; W231-C298 PolarHBondContact NE1-SG 2.85Å
232	C	98.9	Very high	97.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	164.4	172.9	96.7	0	0	0	0	113	F259 M265 C298 I299	C232-F259 HydrophobicContact CB-CE2 4.33Å; C232-M265 VanDerWaalsContact CA-O 3.31Å; C232-M265 WeakPolarHBondContact CA-O 3.31Å; C232-M265 WeakPolarHBondContact CB-O 3.47Å; C232-C298 HydrophobicContact CB-CB 4.2Å; C232-C298 WeakPolarHBondContact CB-SG 3.12Å; C232-C298 WeakPolarHBondContact O-CA 2.98Å; C232-C298 WeakPolarHBondContact O-CB 3.44Å; C232-C298 WeakPolarHBondContact SG-CB 3.36Å; C232-C298 CovalentContact SG-SG 2.02Å; C232-C298 PolarHBondContact SG-SG 2.91Å; C232-I299 PolarHBondContact O-N 2.96Å; C232-I299 VanDerWaalsContact O-N 3.09Å
233	V	98.9	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.6	163.1	175.1	0	0	0	0	106	Y216 F217 L220 L224 W264 M265 I299	Y216-V233 HydrophobicContact CD1-CG1 4.45Å; Y216-V233 HydrophobicContact CE1-CG1 3.53Å; F217-V233 HydrophobicContact CD1-CB 4.3Å; F217-V233 HydrophobicContact CD1-CG1 3.97Å; F217-V233 HydrophobicContact CE1-CB 4Å; F217-V233 HydrophobicContact CE1-CG1 3.7Å; F217-V233 WeakPolarHBondContact CE1-O 3.49Å; L220-V233 HydrophobicContact CB-CG1 4.04Å; L220-V233 HydrophobicContact CB-CG2 3.88Å; L220-V233 HydrophobicContact CD1-CG1 3.48Å; L220-V233 VanDerWaalsContact CD1-CG1 3.48Å; L220-V233 HydrophobicContact CG-CG1 4.42Å; L224-V233 HydrophobicContact CB-CG2 4.08Å; L224-V233 HydrophobicContact CD2-CG2 4.15Å; V233-W264 CarbonylContact O-C 3.58Å; V233-W264 WeakPolarHBondContact O-CA 3.49Å; V233-W264 WeakPolarHBondContact O-CB 3.16Å; V233-M265 HydrophobicContact CB-CB 4.13Å; V233-M265 PolarHBondContact N-O 3.09Å; V233-M265 PolarHBondContact O-N 2.8Å; V233-I299 HydrophobicContact CG1-CB 4.37Å; V233-I299 HydrophobicContact CG2-CB 4.25Å; V233-I299 HydrophobicContact CG2-CD1 4.48Å
234	S	98.9	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.4	175.5	175.3	0	0	0	0	110.3	Y216 W236 G261 G263 I299 P301	Y216-S234 PolarHBondContact OH-O 2.96Å; S234-W236 WeakPolarHBondContact OG-CB 3.26Å; S234-W236 PolarHBondContact OG-N 3.41Å; S234-G261 PolarHBondContact OG-O 3.48Å; S234-G263 CarbonylContact C-O 3.56Å; S234-G263 WeakPolarHBondContact CA-O 3.16Å; S234-I299 PolarHBondContact N-O 3.41Å; S234-P301 WeakPolarHBondContact O-CD 3.42Å
235	A	98.9	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-81.6	-3.4	171.2	0	0	0	0	0	112.2	F213 F217 G263 S304 R305 T306	F213-A235 HydrophobicContact CD2-CB 4.45Å; F213-A235 HydrophobicContact CE2-CB 4.23Å; F217-A235 HydrophobicContact CE2-CB 4.22Å; F217-A235 HydrophobicContact CZ-CB 4.11Å; A235-G263 VanDerWaalsContact CB-O 3.31Å; A235-G263 WeakPolarHBondContact CB-O 3.37Å; A235-G263 PolarHBondContact N-O 3.25Å; A235-S304 CarbonylContact O-C 3.6Å; A235-S304 VanDerWaalsContact O-CA 3.23Å; A235-S304 WeakPolarHBondContact O-CA 3.34Å; A235-S304 WeakPolarHBondContact O-CB 3.22Å; A235-R305 HydrophobicContact CB-CB 3.68Å; A235-R305 PolarHBondContact O-N 2.74Å; A235-T306 HydrophobicContact CB-CG2 3.87Å; A235-T306 WeakPolarHBondContact CB-OG1 3.42Å
236	W	98.7	Very high	97.2	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	16%	0.156	C	C	.	.			trans	-106	135.6	-169.7	-167.3	-100.2	0	0	0	113.1	S234 P260 L262 T306 T308 L324 I327	S234-W236 WeakPolarHBondContact OG-CB 3.26Å; S234-W236 PolarHBondContact OG-N 3.41Å; W236-P260 HydrophobicContact CB-CB 4.19Å; W236-L262 HydrophobicContact CB-CB 3.85Å; W236-L262 HydrophobicContact CD2-CB 3.79Å; W236-L262 HydrophobicContact CD2-CD1 3.5Å; W236-L262 VanDerWaalsContact CD2-CD1 3.5Å; W236-L262 HydrophobicContact CD2-CG 4.29Å; W236-L262 HydrophobicContact CE3-CB 3.83Å; W236-L262 HydrophobicContact CE3-CD1 4.02Å; W236-L262 HydrophobicContact CG-CB 3.81Å; W236-L262 HydrophobicContact CG-CD1 3.79Å; W236-L262 HydrophobicContact CG-CG 4.44Å; W236-L262 HydrophobicContact CH2-CD1 4.25Å; W236-L262 HydrophobicContact CZ2-CD1 3.73Å; W236-L262 HydrophobicContact CZ3-CD1 4.35Å; W236-T306 WeakPolarHBondContact CZ3-O 3.35Å; W236-T308 HydrophobicContact CH2-CG2 4.08Å; W236-L324 HydrophobicContact CZ2-CB 4.38Å; W236-L324 HydrophobicContact CZ2-CD2 3.79Å; W236-I327 HydrophobicContact CE3-CG2 4.36Å; W236-I327 HydrophobicContact CH2-CB 3.76Å; W236-I327 HydrophobicContact CH2-CG1 3.78Å; W236-I327 HydrophobicContact CH2-CG2 3.89Å; W236-I327 HydrophobicContact CZ2-CB 3.91Å; W236-I327 HydrophobicContact CZ2-CG1 3.39Å; W236-I327 HydrophobicContact CZ2-CG2 4.06Å; W236-I327 HydrophobicContact CZ3-CB 4.4Å; W236-I327 HydrophobicContact CZ3-CG2 4.07Å
237	N	98.6	Very high	97	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.011	15%	0.153	C	C	.	.			trans	-109.5	111	163.2	178.8	-4.3	0	0	0	108.8	N239 G240 R300 E302 S304 T409	N237-N239 PolarHBondContact O-N 3.3Å; N237-N239 VanDerWaalsContact O-N 3.16Å; N237-N239 PolarHBondContact OD1-N 2.89Å; N237-G240 VanDerWaalsContact CG-CA 3.48Å; N237-G240 WeakPolarHBondContact O-CA 3.02Å; N237-G240 PolarHBondContact O-N 3.31Å; N237-G240 PolarHBondContact OD1-N 2.9Å; N237-R300 PolarHBondContact ND2-NH1 3.25Å; N237-E302 PolarHBondContact ND2-O 2.82Å; N237-S304 PolarHBondContact N-OG 2.71Å; N237-T409 WeakPolarHBondContact OD1-CG2 3.38Å
238	D	97.1	Very high	96.9	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29	179.2	-69.2	-87.2	0	0	0	113.6	M399 R408 T409	D238-M399 HydrophobicContact CB-SD 3.86Å; D238-M399 VanDerWaalsContact O-SD 3.35Å; D238-R408 HydrophobicContact CB-CB 3.86Å; D238-R408 HydrophobicContact CB-CG 4.4Å; D238-R408 VanDerWaalsContact CG-CD 3.48Å; D238-R408 WeakPolarHBondContact OD1-CD 3.21Å; D238-R408 IonicContact OD1-CZ 3.21Å; D238-R408 IonicContact OD1-NE 3.2Å; D238-R408 IonicContact OD1-NH1 3.36Å; D238-R408 PolarHBondContact OD1-NH1 2.97Å; D238-T409 HydrophobicContact CB-CG2 3.76Å
239	N	97.6	Very high	96.8	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.032	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	15.8	176.1	-69.8	-56.8	0	0	0	112.2	N237 R241 M244 I398 M399 T409	N237-N239 PolarHBondContact O-N 3.3Å; N237-N239 VanDerWaalsContact O-N 3.16Å; N237-N239 PolarHBondContact OD1-N 2.89Å; N239-R241 PolarHBondContact O-N 3.4Å; N239-M244 VanDerWaalsContact O-CB 3.22Å; N239-M244 WeakPolarHBondContact O-CB 3.45Å; N239-I398 HydrophobicContact CB-CG2 4.49Å; N239-I398 WeakPolarHBondContact OD1-CA 3.47Å; N239-I398 WeakPolarHBondContact OD1-CB 3.49Å; N239-M399 PolarHBondContact OD1-N 2.87Å; N239-T409 PolarHBondContact ND2-OG1 3.37Å
240	G	96.8	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.158	C	C	.	.			trans	-78	28.6	-168.7	0	0	0	0	0	116.6	N237 V245 K328	N237-G240 VanDerWaalsContact CG-CA 3.48Å; N237-G240 WeakPolarHBondContact O-CA 3.02Å; N237-G240 PolarHBondContact O-N 3.31Å; N237-G240 PolarHBondContact OD1-N 2.9Å; G240-V245 VanDerWaalsContact CA-CG1 3.44Å; G240-K328 WeakPolarHBondContact O-CB 3.29Å; G240-K328 PolarHBondContact O-N 3.38Å
241	R	94.3	Very high	96.8	Very high	56 Å²	56	26.6 Å²	26.6	21%	0.211	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-79.3	162.3	-179.9	65.8	179	179.5	-139.9	-16.8	112.5	N239 G243 M244 V245 F326 I327 L396 G397	N239-R241 PolarHBondContact O-N 3.4Å; R241-G243 PolarHBondContact O-N 3.18Å; R241-M244 HydrophobicContact CG-CB 3.72Å; R241-M244 HydrophobicContact CG-CG 3.44Å; R241-M244 VanDerWaalsContact CG-CG 3.44Å; R241-M244 WeakPolarHBondContact O-CA 3.41Å; R241-M244 PolarHBondContact O-N 3.14Å; R241-V245 PolarHBondContact O-N 2.83Å; R241-F326 WeakPolarHBondContact CA-O 3.45Å; R241-F326 HydrophobicContact CB-CB 4.09Å; R241-F326 WeakPolarHBondContact CB-O 3.25Å; R241-I327 HydrophobicContact CB-CD1 4.37Å; R241-L396 PolarHBondContact NH2-O 3.27Å; R241-G397 PolarHBondContact NH1-O 3.09Å; R241-G397 PolarHBondContact NH2-O 3.1Å
242	D	90.9	Very high	96.7	Very high	104 Å²	104	28.5 Å²	28.5	56%	0.556	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	137.5	172.1	-87.5	-28.6	0	0	0	111.7	M244 K328	D242-M244 PolarHBondContact O-N 3.06Å; D242-K328 WeakPolarHBondContact OD1-CD 3.29Å; D242-K328 WeakPolarHBondContact OD1-CE 3.34Å; D242-K328 WeakPolarHBondContact OD1-CG 3.21Å; D242-K328 IonicContact OD1-NZ 3.52Å; D242-K328 PolarHBondContact OD1-NZ 2.91Å
243	G	92.6	Very high	96.7	Very high	50 Å²	50	28.5 Å²	28.5	52%	0.515	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-11.3	-173.2	0	0	0	0	0	115.3	R241	R241-G243 PolarHBondContact O-N 3.18Å
244	M	96.1	Very high	96.7	Very high	22 Å²	22	29 Å²	29	11%	0.108	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-0.3	176.4	-60.7	-63.3	163	0	0	114.7	N239 R241 D242 L396 I398 F417 F418 Y419	N239-M244 VanDerWaalsContact O-CB 3.22Å; N239-M244 WeakPolarHBondContact O-CB 3.45Å; R241-M244 HydrophobicContact CG-CB 3.72Å; R241-M244 HydrophobicContact CG-CG 3.44Å; R241-M244 VanDerWaalsContact CG-CG 3.44Å; R241-M244 WeakPolarHBondContact O-CA 3.41Å; R241-M244 PolarHBondContact O-N 3.14Å; D242-M244 PolarHBondContact O-N 3.06Å; M244-L396 WeakPolarHBondContact CE-O 3.29Å; M244-I398 HydrophobicContact SD-CG2 4.49Å; M244-F417 HydrophobicContact SD-CD2 4.21Å; M244-F418 VanDerWaalsContact C-CB 3.48Å; M244-F418 VanDerWaalsContact CA-O 3.24Å; M244-F418 WeakPolarHBondContact CA-O 3.48Å; M244-F418 WeakPolarHBondContact O-CB 3.36Å; M244-F418 PolarHBondContact O-N 3.15Å; M244-Y419 HydrophobicContact CE-CD2 3.58Å; M244-Y419 HydrophobicContact CE-CE2 3.7Å; M244-Y419 HydrophobicContact SD-CD2 3.8Å
245	V	97.2	Very high	96.7	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	18%	0.181	C	C	.	.	S	Bend	trans	-122.2	151.8	174.7	-59.6	0	0	0	0	109.7	G240 R241 P247 E302 I303 K328	G240-V245 VanDerWaalsContact CA-CG1 3.44Å; R241-V245 PolarHBondContact O-N 2.83Å; V245-P247 VanDerWaalsContact O-CD 3.28Å; V245-P247 WeakPolarHBondContact O-CD 3.49Å; V245-E302 WeakPolarHBondContact CA-OE1 3.16Å; V245-E302 HydrophobicContact CB-CG 4.29Å; V245-E302 WeakPolarHBondContact CG1-O 3.28Å; V245-I303 HydrophobicContact CB-CG1 4.24Å; V245-I303 HydrophobicContact CG2-CG1 4.17Å; V245-K328 HydrophobicContact CG2-CD 3.81Å
246	D	96.3	Very high	96.7	Very high	35 Å²	35	29.1 Å²	29.1	19%	0.187	18%	0.181	C	C	.	.			trans	-82.3	109	172.9	-174.4	-15.8	0	0	0	110.5	G248 Q249 E302 F418	D246-G248 PolarHBondContact O-N 3.45Å; D246-G248 WeakPolarHBondContact OD1-CA 3.45Å; D246-G248 PolarHBondContact OD1-N 2.87Å; D246-Q249 HydrophobicContact CB-CB 4.11Å; D246-Q249 HydrophobicContact CB-CG 4.28Å; D246-Q249 PolarHBondContact O-N 2.7Å; D246-Q249 VanDerWaalsContact O-N 3.12Å; D246-Q249 VanDerWaalsContact OD2-CG 3.26Å; D246-Q249 WeakPolarHBondContact OD2-CG 3.5Å; D246-E302 PolarHBondContact N-OE1 2.87Å; D246-F418 HydrophobicContact CB-CD1 4.44Å; D246-F418 HydrophobicContact CB-CD2 3.99Å; D246-F418 HydrophobicContact CB-CE1 4.44Å; D246-F418 HydrophobicContact CB-CE2 4.04Å; D246-F418 HydrophobicContact CB-CG 4.22Å; D246-F418 HydrophobicContact CB-CZ 4.26Å
247	P	93.1	Very high	96.7	Very high	68 Å²	68	29.7 Å²	29.7	44%	0.442	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.7	-178.8	31.6	-36.8	0	0	0	113.5	V245	V245-P247 VanDerWaalsContact O-CD 3.28Å; V245-P247 WeakPolarHBondContact O-CD 3.49Å
248	G	95.5	Very high	96.8	Very high	54 Å²	54	29.7 Å²	29.7	56%	0.557	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.4	174.9	0	0	0	0	0	113.6	D246 P250	D246-G248 PolarHBondContact O-N 3.45Å; D246-G248 WeakPolarHBondContact OD1-CA 3.45Å; D246-G248 PolarHBondContact OD1-N 2.87Å; G248-P250 VanDerWaalsContact O-CD 3.32Å; G248-P250 WeakPolarHBondContact O-CD 3.21Å
249	Q	96.8	Very high	96.8	Very high	91 Å²	91	29.6 Å²	29.6	43%	0.425	18%	0.183	S	C	.	.			trans	-121.6	53.5	-174	-64.6	-70.7	-2	0	0	113	D246 A251 L252	D246-Q249 HydrophobicContact CB-CB 4.11Å; D246-Q249 HydrophobicContact CB-CG 4.28Å; D246-Q249 PolarHBondContact O-N 2.7Å; D246-Q249 VanDerWaalsContact O-N 3.12Å; D246-Q249 VanDerWaalsContact OD2-CG 3.26Å; D246-Q249 WeakPolarHBondContact OD2-CG 3.5Å; Q249-A251 PolarHBondContact O-N 3.39Å; Q249-L252 HydrophobicContact CB-CB 3.93Å; Q249-L252 HydrophobicContact CB-CD2 4.26Å; Q249-L252 WeakPolarHBondContact O-CB 3.23Å; Q249-L252 PolarHBondContact O-N 2.99Å; Q249-L252 VanDerWaalsContact O-N 3.15Å
250	P	97.6	Very high	96.9	Very high	21 Å²	21	29.5 Å²	29.5	14%	0.136	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.9	179.2	29.6	-36.1	0	0	0	112.7	G248 I303 R305 V334	G248-P250 VanDerWaalsContact O-CD 3.32Å; G248-P250 WeakPolarHBondContact O-CD 3.21Å; P250-I303 HydrophobicContact CB-CD1 4.11Å; P250-R305 VanDerWaalsContact O-CZ 3.3Å; P250-R305 PolarHBondContact O-NH1 2.87Å; P250-R305 PolarHBondContact O-NH2 3.44Å; P250-V334 HydrophobicContact CB-CG2 3.81Å; P250-V334 HydrophobicContact CG-CG2 3.97Å
251	A	98.5	Very high	96.9	Very high	32 Å²	32	29.7 Å²	29.7	26%	0.264	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.9	179	0	0	0	0	0	114	Q249 L253 V334 L339	Q249-A251 PolarHBondContact O-N 3.39Å; A251-L253 PolarHBondContact O-N 2.75Å; A251-V334 HydrophobicContact CB-CG1 3.64Å; A251-V334 HydrophobicContact CB-CG2 4.42Å; A251-L339 HydrophobicContact CB-CD1 3.94Å
252	L	98.6	Very high	97.1	Very high	49 Å²	49	28.7 Å²	28.7	26%	0.257	18%	0.184	S	C	.	.			trans	-74	124	-175.6	-179.1	59.1	0	0	0	110.9	Q249 Y254 E302	Q249-L252 HydrophobicContact CB-CB 3.93Å; Q249-L252 HydrophobicContact CB-CD2 4.26Å; Q249-L252 WeakPolarHBondContact O-CB 3.23Å; Q249-L252 PolarHBondContact O-N 2.99Å; Q249-L252 VanDerWaalsContact O-N 3.15Å; L252-Y254 HydrophobicContact CD2-CE2 3.98Å; L252-Y254 WeakPolarHBondContact CD2-OH 3.42Å; L252-Y254 HydrophobicContact CG-CD2 4.48Å; L252-Y254 HydrophobicContact CG-CE2 3.72Å; L252-E302 HydrophobicContact CB-CB 4.1Å; L252-E302 WeakPolarHBondContact O-CB 3.43Å; L252-E302 PolarHBondContact O-N 2.88Å
253	L	98.9	Very high	97.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	155.8	176.8	-49.2	-179.2	0	0	0	111.1	Y216 L220 A251 I299 P301 F336 L341 Y343 L344	Y216-L253 HydrophobicContact CD2-CD2 4.27Å; Y216-L253 HydrophobicContact CE2-CD1 4.05Å; Y216-L253 HydrophobicContact CE2-CD2 3.58Å; Y216-L253 HydrophobicContact CE2-CG 4.47Å; L220-L253 HydrophobicContact CD1-CD1 3.89Å; L220-L253 HydrophobicContact CD2-CD1 3.85Å; L220-L253 HydrophobicContact CG-CD1 4.28Å; A251-L253 PolarHBondContact O-N 2.75Å; L253-I299 HydrophobicContact CB-CG2 4.16Å; L253-I299 HydrophobicContact CD1-CG2 4.3Å; L253-P301 HydrophobicContact CD2-CB 3.84Å; L253-F336 HydrophobicContact CD1-CD1 4.11Å; L253-F336 HydrophobicContact CD1-CE1 3.78Å; L253-F336 HydrophobicContact CD2-CE1 3.79Å; L253-F336 HydrophobicContact CD2-CZ 3.93Å; L253-F336 HydrophobicContact CG-CE1 3.86Å; L253-F336 HydrophobicContact CG-CZ 4.5Å; L253-L341 HydrophobicContact CD1-CD2 4.33Å; L253-Y343 WeakPolarHBondContact CA-OH 3.49Å; L253-Y343 VanDerWaalsContact CB-OH 3.3Å; L253-Y343 WeakPolarHBondContact CB-OH 3.37Å; L253-Y343 PolarHBondContact N-OH 2.7Å; L253-Y343 PolarHBondContact O-OH 2.75Å; L253-L344 HydrophobicContact CB-CD1 3.99Å; L253-L344 HydrophobicContact CB-CD2 4.03Å; L253-L344 HydrophobicContact CD1-CD1 3.83Å
254	Y	98.9	Very high	97.7	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.039	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.2	-176.4	-61.3	-95.8	0	0	0	111	L252 I299 R300 E302 Y349 F353 R423	L252-Y254 HydrophobicContact CD2-CE2 3.98Å; L252-Y254 WeakPolarHBondContact CD2-OH 3.42Å; L252-Y254 HydrophobicContact CG-CD2 4.48Å; L252-Y254 HydrophobicContact CG-CE2 3.72Å; Y254-I299 CarbonylContact O-C 3.54Å; Y254-I299 VanDerWaalsContact O-CA 3.3Å; Y254-I299 WeakPolarHBondContact O-CA 3.38Å; Y254-R300 VanDerWaalsContact CE2-NH1 3.26Å; Y254-R300 PolarHBondContact N-O 3.28Å; Y254-R300 PolarHBondContact O-N 2.94Å; Y254-E302 HydrophobicContact CE2-CB 3.95Å; Y254-E302 VanDerWaalsContact CE2-OE2 3.24Å; Y254-E302 WeakPolarHBondContact CE2-OE2 3.47Å; Y254-E302 PolarHBondContact OH-OE2 3.43Å; Y254-Y349 WeakPolarHBondContact CA-OH 3.17Å; Y254-Y349 WeakPolarHBondContact CB-OH 3.41Å; Y254-Y349 WeakPolarHBondContact CD1-OH 3.22Å; Y254-F353 HydrophobicContact CD1-CE2 4.5Å; Y254-R423 VanDerWaalsContact OH-CZ 3.22Å; Y254-R423 PolarHBondContact OH-NH1 3.23Å; Y254-R423 PolarHBondContact OH-NH2 2.87Å
255	R	98.9	Very high	97.9	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.011	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	148.6	158	-59.9	175.4	71.8	87.9	0.8	109.5	D227 S229 L230 A297 C298 L344 E346 Y349 Y411	D227-R255 IonicContact OD2-CZ 2.72Å; D227-R255 IonicContact OD2-NH1 3.11Å; D227-R255 PolarHBondContact OD2-NH1 2.92Å; D227-R255 IonicContact OD2-NH2 3.16Å; S229-R255 PolarHBondContact OG-NH2 2.81Å; L230-R255 VanDerWaalsContact CD2-NH1 3.33Å; L230-R255 VanDerWaalsContact CG-NH1 3.35Å; R255-A297 HydrophobicContact CB-CB 4.32Å; R255-C298 CarbonylContact C-O 3.47Å; R255-C298 WeakPolarHBondContact CA-O 2.94Å; R255-L344 WeakPolarHBondContact CD-O 3.31Å; R255-L344 PolarHBondContact NH1-O 3.34Å; R255-E346 IonicContact CZ-OE2 3.57Å; R255-E346 IonicContact NE-OE2 3.72Å; R255-E346 PolarHBondContact NE-OE2 3.19Å; R255-E346 IonicContact NH2-OE2 3.64Å; R255-E346 PolarHBondContact NH2-OE2 3.01Å; R255-Y349 HydrophobicContact CB-CD1 3.98Å; R255-Y349 HydrophobicContact CB-CE1 3.7Å; R255-Y349 HydrophobicContact CB-CG 4.48Å; R255-Y349 HydrophobicContact CG-CD1 3.79Å; R255-Y349 HydrophobicContact CG-CD2 4.03Å; R255-Y349 HydrophobicContact CG-CE1 3.94Å; R255-Y349 HydrophobicContact CG-CE2 4.19Å; R255-Y349 HydrophobicContact CG-CG 3.81Å; R255-Y349 VanDerWaalsContact N-CZ 3.3Å; R255-Y349 PolarHBondContact N-OH 3.08Å; R255-Y349 VanDerWaalsContact N-OH 3.12Å; R255-Y411 HydrophobicContact CB-CD2 3.82Å; R255-Y411 HydrophobicContact CB-CE2 3.84Å; R255-Y411 HydrophobicContact CB-CG 4.33Å; R255-Y411 WeakPolarHBondContact O-CB 3.2Å
256	T	98.9	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.4	176.1	175.4	0	0	0	0	110.2	F258 P260 A297 C298 R300 G410	T256-F258 VanDerWaalsContact C-N 3.31Å; T256-F258 WeakPolarHBondContact CG2-O 3.22Å; T256-F258 PolarHBondContact OG1-N 3.16Å; T256-F258 VanDerWaalsContact OG1-N 3.15Å; T256-F258 PolarHBondContact OG1-O 2.75Å; T256-F258 VanDerWaalsContact OG1-O 3.1Å; T256-P260 HydrophobicContact CG2-CG 4.17Å; T256-A297 CarbonylContact O-C 3.51Å; T256-A297 VanDerWaalsContact O-CA 3.26Å; T256-A297 WeakPolarHBondContact O-CA 3.33Å; T256-A297 WeakPolarHBondContact O-CB 3.41Å; T256-C298 HydrophobicContact CG2-CB 4.04Å; T256-C298 WeakPolarHBondContact CG2-O 3.39Å; T256-C298 PolarHBondContact N-O 2.99Å; T256-C298 PolarHBondContact O-N 3.33Å; T256-R300 HydrophobicContact CG2-CB 3.87Å; T256-R300 HydrophobicContact CG2-CG 3.57Å; T256-G410 CarbonylContact C-O 3.56Å; T256-G410 PolarHBondContact OG1-O 3.03Å
257	D	98.8	Very high	98.1	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.07	12%	0.124	C	C	.	.	S	Bend	trans	-80.1	-18.4	171.6	-65.1	-38.1	0	0	0	111.6	R293 V406 G410 Y411 R412 Y435	D257-R293 WeakPolarHBondContact O-CD 3.28Å; D257-V406 HydrophobicContact CB-CG1 3.95Å; D257-G410 PolarHBondContact N-O 2.97Å; D257-Y411 WeakPolarHBondContact OD2-CA 3.43Å; D257-R412 PolarHBondContact OD2-N 2.93Å; D257-Y435 HydrophobicContact CB-CE2 3.74Å; D257-Y435 WeakPolarHBondContact OD2-CE2 3.31Å; D257-Y435 PolarHBondContact OD2-OH 2.87Å
258	F	98.8	Very high	98.3	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	12%	0.115	C	C	.	.	S	Bend	trans	-80.7	121.8	172.8	-166.6	-87.6	0	0	0	109.7	T256 P260 K403 V406 R408	T256-F258 VanDerWaalsContact C-N 3.31Å; T256-F258 WeakPolarHBondContact CG2-O 3.22Å; T256-F258 PolarHBondContact OG1-N 3.16Å; T256-F258 VanDerWaalsContact OG1-N 3.15Å; T256-F258 PolarHBondContact OG1-O 2.75Å; T256-F258 VanDerWaalsContact OG1-O 3.1Å; F258-P260 WeakPolarHBondContact O-CD 3.36Å; F258-P260 WeakPolarHBondContact O-CG 3.49Å; F258-K403 HydrophobicContact CE2-CB 3.78Å; F258-K403 HydrophobicContact CE2-CG 3.61Å; F258-K403 HydrophobicContact CZ-CB 4.47Å; F258-K403 HydrophobicContact CZ-CG 3.93Å; F258-V406 HydrophobicContact CB-CG1 3.94Å; F258-V406 HydrophobicContact CD2-CB 4.39Å; F258-V406 HydrophobicContact CD2-CG1 4.2Å; F258-R408 HydrophobicContact CE2-CG 4.18Å; F258-R408 HydrophobicContact CZ-CG 4.16Å
259	F	98.8	Very high	98.5	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.115	C	C	.	.			trans	-73.5	109.7	172.3	172.7	-106.4	0	0	0	110.5	W231 C232 W264 W283 D284 M287 R288	W231-F259 HydrophobicContact CZ2-CB 4.03Å; W231-F259 HydrophobicContact CZ2-CD2 4.19Å; W231-F259 HydrophobicContact CZ2-CG 4.24Å; C232-F259 HydrophobicContact CB-CE2 4.33Å; F259-W264 AromaticContact CE2-CD2 3.98Å; F259-W264 HydrophobicContact CE2-CD2 3.98Å; F259-W264 AromaticContact CE2-CE3 3.71Å; F259-W264 HydrophobicContact CE2-CE3 3.71Å; F259-W264 HydrophobicContact CE2-CG 4.48Å; F259-W264 HydrophobicContact CE2-CZ3 4.06Å; F259-W264 AromaticContact CZ-CD2 3.77Å; F259-W264 HydrophobicContact CZ-CD2 3.77Å; F259-W264 AromaticContact CZ-CE2 3.91Å; F259-W264 AromaticContact CZ-CE3 3.82Å; F259-W264 HydrophobicContact CZ-CE3 3.82Å; F259-W264 HydrophobicContact CZ-CG 4.36Å; F259-W264 HydrophobicContact CZ-CH2 4.14Å; F259-W264 HydrophobicContact CZ-CZ2 4.11Å; F259-W264 AromaticContact CZ-CZ3 3.98Å; F259-W264 HydrophobicContact CZ-CZ3 3.98Å; F259-W283 HydrophobicContact CE1-CH2 4.09Å; F259-W283 AromaticContact CE1-CZ3 3.69Å; F259-W283 HydrophobicContact CE1-CZ3 3.69Å; F259-W283 HydrophobicContact CZ-CH2 4.25Å; F259-W283 AromaticContact CZ-CZ3 3.89Å; F259-W283 HydrophobicContact CZ-CZ3 3.89Å; F259-D284 HydrophobicContact CE1-CB 4.44Å; F259-M287 HydrophobicContact CD1-CB 4.09Å; F259-M287 HydrophobicContact CD1-CE 4.45Å; F259-M287 HydrophobicContact CD2-CE 4.16Å; F259-M287 HydrophobicContact CE1-CB 4.31Å; F259-M287 HydrophobicContact CE1-CE 4.03Å; F259-M287 HydrophobicContact CE1-SD 4.02Å; F259-M287 HydrophobicContact CE2-CE 3.72Å; F259-M287 HydrophobicContact CZ-CE 3.64Å; F259-M287 HydrophobicContact CZ-SD 4.03Å; F259-R288 HydrophobicContact CB-CG 3.97Å; F259-R288 HydrophobicContact CD1-CG 4.48Å; F259-R288 PolarHBondContact O-NE 3.28Å; F259-R288 PolarHBondContact O-NH2 2.98Å
260	P	98.2	Very high	98.6	Very high	4 Å²	4	19 Å²	19	3%	0.026	10%	0.099	C	C	.	.			trans	-85.5	-32	-172	-11.2	30.5	0	0	0	113.1	W236 T256 F258	W236-P260 HydrophobicContact CB-CB 4.19Å; T256-P260 HydrophobicContact CG2-CG 4.17Å; F258-P260 WeakPolarHBondContact O-CD 3.36Å; F258-P260 WeakPolarHBondContact O-CG 3.49Å
261	G	97.8	Very high	98.6	Very high	4 Å²	4	18 Å²	18	4%	0.041	9%	0.093	C	C	.	.			trans	69.1	-134.2	-169.7	0	0	0	0	0	112	S234 G263 W264	S234-G261 PolarHBondContact OG-O 3.48Å; G261-G263 PolarHBondContact O-N 3.49Å; G261-W264 VanDerWaalsContact C-CD1 3.46Å
262	L	97.9	Very high	98.6	Very high	35 Å²	35	20.3 Å²	20.3	18%	0.183	10%	0.098	C	C	.	.	S	Bend	trans	47.5	59.9	168.7	-63.1	171.6	0	0	0	115	L207 W236 T306	L207-L262 HydrophobicContact CD2-CD2 4.12Å; W236-L262 HydrophobicContact CB-CB 3.85Å; W236-L262 HydrophobicContact CD2-CB 3.79Å; W236-L262 HydrophobicContact CD2-CD1 3.5Å; W236-L262 VanDerWaalsContact CD2-CD1 3.5Å; W236-L262 HydrophobicContact CD2-CG 4.29Å; W236-L262 HydrophobicContact CE3-CB 3.83Å; W236-L262 HydrophobicContact CE3-CD1 4.02Å; W236-L262 HydrophobicContact CG-CB 3.81Å; W236-L262 HydrophobicContact CG-CD1 3.79Å; W236-L262 HydrophobicContact CG-CG 4.44Å; W236-L262 HydrophobicContact CH2-CD1 4.25Å; W236-L262 HydrophobicContact CZ2-CD1 3.73Å; W236-L262 HydrophobicContact CZ3-CD1 4.35Å; L262-T306 PolarHBondContact O-OG1 3.2Å
263	G	98.6	Very high	98.6	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	88.3	86.1	-170.1	0	0	0	0	0	110	I202 S234 A235 G261	I202-G263 CarbonylContact O-C 3.55Å; I202-G263 WeakPolarHBondContact O-CA 3.41Å; S234-G263 CarbonylContact C-O 3.56Å; S234-G263 WeakPolarHBondContact CA-O 3.16Å; A235-G263 VanDerWaalsContact CB-O 3.31Å; A235-G263 WeakPolarHBondContact CB-O 3.37Å; A235-G263 PolarHBondContact N-O 3.25Å; G261-G263 PolarHBondContact O-N 3.49Å
264	W	98.9	Very high	98.6	Very high	3 Å²	3	20 Å²	20	1%	0.011	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.7	-170.5	58.6	-73.5	0	0	0	113.1	Y184 V201 I202 V233 F259 G261 L266 W283 M287	Y184-W264 HydrophobicContact CE1-CZ2 4.23Å; V201-W264 CarbonylContact C-O 3.57Å; V201-W264 WeakPolarHBondContact CA-O 3.34Å; I202-W264 HydrophobicContact CB-CD2 4.43Å; I202-W264 HydrophobicContact CB-CZ2 4.25Å; I202-W264 HydrophobicContact CD1-CD2 3.87Å; I202-W264 HydrophobicContact CD1-CE3 3.89Å; I202-W264 HydrophobicContact CD1-CH2 3.91Å; I202-W264 HydrophobicContact CD1-CZ2 3.86Å; I202-W264 HydrophobicContact CD1-CZ3 3.93Å; I202-W264 VanDerWaalsContact CD1-O 3.28Å; I202-W264 WeakPolarHBondContact CD1-O 3.29Å; I202-W264 HydrophobicContact CG1-CZ2 4.08Å; I202-W264 PolarHBondContact N-O 2.97Å; I202-W264 PolarHBondContact O-N 3.19Å; V233-W264 CarbonylContact O-C 3.58Å; V233-W264 WeakPolarHBondContact O-CA 3.49Å; V233-W264 WeakPolarHBondContact O-CB 3.16Å; F259-W264 AromaticContact CE2-CD2 3.98Å; F259-W264 HydrophobicContact CE2-CD2 3.98Å; F259-W264 AromaticContact CE2-CE3 3.71Å; F259-W264 HydrophobicContact CE2-CE3 3.71Å; F259-W264 HydrophobicContact CE2-CG 4.48Å; F259-W264 HydrophobicContact CE2-CZ3 4.06Å; F259-W264 AromaticContact CZ-CD2 3.77Å; F259-W264 HydrophobicContact CZ-CD2 3.77Å; F259-W264 AromaticContact CZ-CE2 3.91Å; F259-W264 AromaticContact CZ-CE3 3.82Å; F259-W264 HydrophobicContact CZ-CE3 3.82Å; F259-W264 HydrophobicContact CZ-CG 4.36Å; F259-W264 HydrophobicContact CZ-CH2 4.14Å; F259-W264 HydrophobicContact CZ-CZ2 4.11Å; F259-W264 AromaticContact CZ-CZ3 3.98Å; F259-W264 HydrophobicContact CZ-CZ3 3.98Å; G261-W264 VanDerWaalsContact C-CD1 3.46Å; W264-L266 HydrophobicContact CE3-CB 4.17Å; W264-L266 HydrophobicContact CH2-CD2 4.12Å; W264-L266 HydrophobicContact CZ3-CB 3.73Å; W264-L266 HydrophobicContact CZ3-CD1 4.07Å; W264-L266 HydrophobicContact CZ3-CD2 3.91Å; W264-L266 HydrophobicContact CZ3-CG 4.1Å; W264-W283 AromaticContact CE2-CH2 3.93Å; W264-W283 HydrophobicContact CH2-CZ3 4.07Å; W264-W283 AromaticContact CZ2-CH2 3.58Å; W264-W283 HydrophobicContact CZ2-CH2 3.58Å; W264-W283 AromaticContact CZ2-CZ3 3.55Å; W264-W283 HydrophobicContact CZ2-CZ3 3.55Å; W264-W283 AromaticContact NE1-CH2 3.92Å; W264-M287 HydrophobicContact CH2-CE 4.22Å; W264-M287 HydrophobicContact CH2-SD 4.29Å; W264-M287 HydrophobicContact CZ3-CE 4.1Å
265	M	98.9	Very high	98.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.2	177.9	-174	-177.1	-79.8	0	0	111.2	I101 V200 V201 F217 H221 L224 C232 V233	I101-M265 HydrophobicContact CD1-CE 4.1Å; I101-M265 HydrophobicContact CG2-CE 3.82Å; V200-M265 CarbonylContact O-C 3.58Å; V200-M265 WeakPolarHBondContact O-CA 3.48Å; V201-M265 HydrophobicContact CG2-CB 4.09Å; V201-M265 HydrophobicContact CG2-CE 3.75Å; V201-M265 HydrophobicContact CG2-CG 4.26Å; F217-M265 HydrophobicContact CB-CE 3.59Å; F217-M265 HydrophobicContact CD1-CB 3.73Å; F217-M265 HydrophobicContact CD1-CE 3.58Å; F217-M265 HydrophobicContact CD1-SD 4.44Å; F217-M265 HydrophobicContact CE1-CB 3.69Å; F217-M265 HydrophobicContact CG-CE 3.95Å; F217-M265 WeakPolarHBondContact O-CE 3.41Å; H221-M265 HydrophobicContact CB-CE 4.03Å; H221-M265 HydrophobicContact CB-SD 4.01Å; L224-M265 HydrophobicContact CD2-CB 4.34Å; L224-M265 HydrophobicContact CD2-CG 3.94Å; L224-M265 HydrophobicContact CD2-SD 3.88Å; C232-M265 VanDerWaalsContact CA-O 3.31Å; C232-M265 WeakPolarHBondContact CA-O 3.31Å; C232-M265 WeakPolarHBondContact CB-O 3.47Å; V233-M265 HydrophobicContact CB-CB 4.13Å; V233-M265 PolarHBondContact N-O 3.09Å; V233-M265 PolarHBondContact O-N 2.8Å
266	L	98.8	Very high	98.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.3	174.9	-174.3	63.7	0	0	0	110	F192 S199 V200 I202 W264 A270 W271	F192-L266 HydrophobicContact CE2-CD2 4.18Å; F192-L266 HydrophobicContact CZ-CD2 4.46Å; F192-L266 HydrophobicContact CZ-CG 4.43Å; S199-L266 CarbonylContact C-O 3.58Å; S199-L266 VanDerWaalsContact CA-O 3.27Å; S199-L266 WeakPolarHBondContact CA-O 3.43Å; V200-L266 HydrophobicContact CG1-CB 4.36Å; V200-L266 PolarHBondContact N-O 2.7Å; V200-L266 PolarHBondContact O-N 2.76Å; I202-L266 HydrophobicContact CD1-CB 3.98Å; W264-L266 HydrophobicContact CE3-CB 4.17Å; W264-L266 HydrophobicContact CH2-CD2 4.12Å; W264-L266 HydrophobicContact CZ3-CB 3.73Å; W264-L266 HydrophobicContact CZ3-CD1 4.07Å; W264-L266 HydrophobicContact CZ3-CD2 3.91Å; W264-L266 HydrophobicContact CZ3-CG 4.1Å; L266-A270 HydrophobicContact CD1-CB 3.47Å; L266-A270 VanDerWaalsContact CD1-CB 3.47Å; L266-A270 HydrophobicContact CG-CB 4.38Å; L266-W271 HydrophobicContact CD2-CB 4.15Å; L266-W271 HydrophobicContact CD2-CE3 4.35Å
267	L	98.8	Very high	98.6	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.11	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	155	170.8	-57.7	-176.2	0	0	0	111.3	L224 Q225 E269 A270 W271	L224-L267 HydrophobicContact CD2-CD1 4.4Å; L224-L267 HydrophobicContact CD2-CD2 3.99Å; L224-L267 HydrophobicContact CD2-CG 3.82Å; L224-L267 HydrophobicContact CG-CD1 3.91Å; L224-L267 HydrophobicContact CG-CD2 4.3Å; L224-L267 HydrophobicContact CG-CG 3.9Å; Q225-L267 HydrophobicContact CB-CD1 4.5Å; Q225-L267 HydrophobicContact CG-CD1 3.96Å; Q225-L267 HydrophobicContact CG-CD2 4Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 WeakPolarHBondContact CB-OE2 3.24Å; L267-E269 PolarHBondContact O-N 2.9Å; L267-A270 PolarHBondContact O-N 3.45Å; L267-W271 PolarHBondContact O-N 3.05Å
268	R	98.6	Very high	98.6	Very high	69 Å²	69	29.6 Å²	29.6	26%	0.26	15%	0.147	S	C	.	.	H	α-helix	trans	-54.7	-44	179	179.8	-174.3	-64.4	-179.3	0.5	111.9	F192 S196 H197 S198 A270 W271 E272	F192-R268 HydrophobicContact CB-CG 4.48Å; F192-R268 HydrophobicContact CD1-CB 3.68Å; F192-R268 HydrophobicContact CD1-CG 3.97Å; F192-R268 VanDerWaalsContact CE1-CA 3.44Å; F192-R268 HydrophobicContact CE1-CB 3.85Å; F192-R268 HydrophobicContact CG-CG 4.47Å; S196-R268 PolarHBondContact O-NH2 2.9Å; H197-R268 VanDerWaalsContact C-NH2 3.25Å; H197-R268 PolarHBondContact O-NE 2.79Å; H197-R268 PolarHBondContact O-NH2 3.49Å; S198-R268 WeakPolarHBondContact O-CB 3.46Å; S198-R268 PolarHBondContact O-N 3.14Å; R268-A270 VanDerWaalsContact C-N 3.25Å; R268-A270 PolarHBondContact O-N 2.86Å; R268-W271 CarbonylContact O-C 3.56Å; R268-W271 WeakPolarHBondContact O-CA 3.44Å; R268-W271 WeakPolarHBondContact O-CB 3.23Å; R268-W271 PolarHBondContact O-N 2.94Å; R268-E272 HydrophobicContact CG-CG 4.14Å; R268-E272 WeakPolarHBondContact O-CG 3.24Å; R268-E272 PolarHBondContact O-N 3.26Å
269	E	98.4	Very high	98.6	Very high	117 Å²	117	30.6 Å²	30.6	55%	0.547	15%	0.154	S	C	.	.	H	α-helix	trans	-60.6	-38.6	-175.4	-61	74	-162.9	0	0	111.2	L267 E272 E273	L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 WeakPolarHBondContact CB-OE2 3.24Å; L267-E269 PolarHBondContact O-N 2.9Å; E269-E272 PolarHBondContact O-N 3.36Å; E269-E273 PolarHBondContact O-N 2.99Å; E269-E273 VanDerWaalsContact O-N 3.17Å
270	A	98.4	Very high	98.5	Very high	11 Å²	11	33.7 Å²	33.7	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-37.6	174.6	0	0	0	0	0	111.5	L266 L267 R268 E273 L274	L266-A270 HydrophobicContact CD1-CB 3.47Å; L266-A270 VanDerWaalsContact CD1-CB 3.47Å; L266-A270 HydrophobicContact CG-CB 4.38Å; L267-A270 PolarHBondContact O-N 3.45Å; R268-A270 VanDerWaalsContact C-N 3.25Å; R268-A270 PolarHBondContact O-N 2.86Å; A270-E273 WeakPolarHBondContact O-CB 3.48Å; A270-E273 PolarHBondContact O-N 2.81Å; A270-L274 WeakPolarHBondContact O-CG 3.37Å; A270-L274 PolarHBondContact O-N 2.99Å; A270-L274 VanDerWaalsContact O-N 3.09Å
271	W	98.8	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-42.5	172.7	-179.8	-114.3	0	0	0	112.5	R185 L188 N189 F192 L266 L267 R268 E273 L274 E275 W278	R185-W271 HydrophobicContact CB-CH2 4.32Å; R185-W271 HydrophobicContact CG-CH2 4.08Å; R185-W271 HydrophobicContact CG-CZ2 4.18Å; L188-W271 HydrophobicContact CB-CD2 3.82Å; L188-W271 HydrophobicContact CB-CE3 4Å; L188-W271 HydrophobicContact CB-CH2 3.89Å; L188-W271 HydrophobicContact CB-CZ2 3.65Å; L188-W271 HydrophobicContact CB-CZ3 4.03Å; L188-W271 HydrophobicContact CD1-CD2 4.28Å; L188-W271 HydrophobicContact CD1-CE3 3.59Å; L188-W271 HydrophobicContact CD1-CH2 3.87Å; L188-W271 HydrophobicContact CD1-CZ2 4.48Å; L188-W271 HydrophobicContact CD1-CZ3 3.35Å; L188-W271 HydrophobicContact CG-CE3 4.36Å; L188-W271 HydrophobicContact CG-CZ3 4.32Å; N189-W271 VanDerWaalsContact OD1-CZ2 3.29Å; N189-W271 WeakPolarHBondContact OD1-CZ2 3.49Å; N189-W271 PolarHBondContact OD1-NE1 2.9Å; F192-W271 HydrophobicContact CD2-CB 3.56Å; F192-W271 AromaticContact CD2-CD1 3.32Å; F192-W271 HydrophobicContact CD2-CD2 4.21Å; F192-W271 AromaticContact CD2-CG 3.37Å; F192-W271 HydrophobicContact CD2-CG 3.37Å; F192-W271 HydrophobicContact CE2-CB 3.51Å; F192-W271 HydrophobicContact CE2-CD2 4.47Å; F192-W271 AromaticContact CE2-CG 3.73Å; F192-W271 HydrophobicContact CE2-CG 3.73Å; F192-W271 HydrophobicContact CG-CB 4.27Å; F192-W271 AromaticContact CG-CD1 3.84Å; F192-W271 HydrophobicContact CG-CG 4.2Å; F192-W271 HydrophobicContact CZ-CB 4.2Å; L266-W271 HydrophobicContact CD2-CB 4.15Å; L266-W271 HydrophobicContact CD2-CE3 4.35Å; L267-W271 PolarHBondContact O-N 3.05Å; R268-W271 CarbonylContact O-C 3.56Å; R268-W271 WeakPolarHBondContact O-CA 3.44Å; R268-W271 WeakPolarHBondContact O-CB 3.23Å; R268-W271 PolarHBondContact O-N 2.94Å; W271-E273 PolarHBondContact O-N 3.39Å; W271-L274 HydrophobicContact CE3-CB 4.38Å; W271-L274 PolarHBondContact O-N 3.34Å; W271-E275 HydrophobicContact CD2-CB 4.23Å; W271-E275 HydrophobicContact CH2-CB 4.31Å; W271-E275 HydrophobicContact CZ2-CB 3.78Å; W271-E275 HydrophobicContact CZ2-CG 3.78Å; W271-E275 WeakPolarHBondContact O-CB 3.37Å; W271-E275 PolarHBondContact O-N 2.84Å; W271-W278 HydrophobicContact CE3-CZ3 4.48Å; W271-W278 HydrophobicContact CH2-CD2 4.02Å; W271-W278 AromaticContact CH2-CE3 3.94Å; W271-W278 HydrophobicContact CH2-CE3 3.94Å; W271-W278 HydrophobicContact CH2-CG 4.49Å; W271-W278 HydrophobicContact CH2-CZ3 4.33Å; W271-W278 HydrophobicContact CZ3-CD2 4.05Å; W271-W278 AromaticContact CZ3-CE3 3.51Å; W271-W278 HydrophobicContact CZ3-CE3 3.51Å; W271-W278 HydrophobicContact CZ3-CH2 4.1Å; W271-W278 AromaticContact CZ3-CZ3 3.56Å; W271-W278 HydrophobicContact CZ3-CZ3 3.56Å
272	E	98.6	Very high	98.4	Very high	82 Å²	82	36.9 Å²	36.9	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-29	177.3	-67.5	-174.2	144.8	0	0	112.6	R193 R268 E269 P276	R193-E272 IonicContact CZ-OE1 2.75Å; R193-E272 IonicContact NH1-OE1 2.73Å; R193-E272 PolarHBondContact NH1-OE1 3.31Å; R268-E272 HydrophobicContact CG-CG 4.14Å; R268-E272 WeakPolarHBondContact O-CG 3.24Å; R268-E272 PolarHBondContact O-N 3.26Å; E269-E272 PolarHBondContact O-N 3.36Å; E272-P276 VanDerWaalsContact O-CD 3.24Å; E272-P276 WeakPolarHBondContact O-CD 3.23Å
273	E	98.7	Very high	98.4	Very high	41 Å²	41	36 Å²	36	19%	0.192	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-41.1	170.4	-164	-154.6	133.5	0	0	112.4	E269 A270 W271 K277 R294 R296	E269-E273 PolarHBondContact O-N 2.99Å; E269-E273 VanDerWaalsContact O-N 3.17Å; A270-E273 WeakPolarHBondContact O-CB 3.48Å; A270-E273 PolarHBondContact O-N 2.81Å; W271-E273 PolarHBondContact O-N 3.39Å; E273-K277 WeakPolarHBondContact O-CE 3.31Å; E273-K277 IonicContact OE1-NZ 2.88Å; E273-K277 PolarHBondContact OE1-NZ 3.32Å; E273-R294 IonicContact OE1-CZ 3.27Å; E273-R294 VanDerWaalsContact OE1-CZ 3.29Å; E273-R294 IonicContact OE1-NE 2.9Å; E273-R294 PolarHBondContact OE1-NE 3.07Å; E273-R294 IonicContact OE1-NH1 3.2Å; E273-R294 PolarHBondContact OE1-NH1 2.65Å; E273-R294 IonicContact OE1-NH2 3.58Å; E273-R294 IonicContact OE2-NH1 3.25Å; E273-R296 IonicContact OE1-NH2 3.29Å; E273-R296 PolarHBondContact OE1-NH2 3.44Å; E273-R296 IonicContact OE2-CZ 3.97Å; E273-R296 VanDerWaalsContact OE2-CZ 3.27Å; E273-R296 IonicContact OE2-NH1 3.48Å; E273-R296 PolarHBondContact OE2-NH1 2.73Å; E273-R296 IonicContact OE2-NH2 2.81Å; E273-R296 PolarHBondContact OE2-NH2 3.07Å
274	L	98.8	Very high	98.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-83.4	-39.4	-171.6	-64.6	170.8	0	0	0	113.1	W231 A270 W271 P276 K277 W278 W286 M287 Q292	W231-L274 HydrophobicContact CZ3-CD1 4.44Å; W231-L274 HydrophobicContact CZ3-CD2 4.34Å; A270-L274 WeakPolarHBondContact O-CG 3.37Å; A270-L274 PolarHBondContact O-N 2.99Å; A270-L274 VanDerWaalsContact O-N 3.09Å; W271-L274 HydrophobicContact CE3-CB 4.38Å; W271-L274 PolarHBondContact O-N 3.34Å; L274-P276 VanDerWaalsContact C-CD 3.49Å; L274-K277 CarbonylContact O-C 3.56Å; L274-K277 WeakPolarHBondContact O-CG 3.48Å; L274-K277 PolarHBondContact O-N 3.03Å; L274-K277 VanDerWaalsContact O-N 3.13Å; L274-W278 HydrophobicContact CB-CE3 4.2Å; L274-W278 HydrophobicContact CB-CZ3 4.36Å; L274-W278 PolarHBondContact O-N 2.8Å; L274-W286 HydrophobicContact CB-CH2 4.16Å; L274-W286 HydrophobicContact CB-CZ3 4.34Å; L274-W286 HydrophobicContact CD2-CH2 3.6Å; L274-W286 HydrophobicContact CD2-CZ3 3.7Å; L274-W286 HydrophobicContact CG-CH2 4.46Å; L274-W286 HydrophobicContact CG-CZ3 4.49Å; L274-M287 HydrophobicContact CD1-CE 4.01Å; L274-M287 HydrophobicContact CD1-SD 4.38Å; L274-Q292 HydrophobicContact CD2-CB 4.25Å; L274-Q292 HydrophobicContact CD2-CG 4.1Å
275	E	98.6	Very high	98.3	Very high	27 Å²	27	40.2 Å²	40.2	13%	0.126	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-51.3	-47.9	-174.2	-177.1	-164.5	-179.6	0	0	113.5	N189 R193 W271 K277 W278	N189-E275 VanDerWaalsContact CG-OE1 3.28Å; N189-E275 PolarHBondContact ND2-OE1 3.17Å; N189-E275 PolarHBondContact OD1-OE1 2.81Å; R193-E275 IonicContact CZ-OE2 3.75Å; R193-E275 IonicContact NE-OE2 3.27Å; R193-E275 PolarHBondContact NE-OE2 2.96Å; R193-E275 VanDerWaalsContact NE-OE2 3.17Å; R193-E275 IonicContact NH2-OE2 2.88Å; R193-E275 PolarHBondContact NH2-OE2 3.48Å; W271-E275 HydrophobicContact CD2-CB 4.23Å; W271-E275 HydrophobicContact CH2-CB 4.31Å; W271-E275 HydrophobicContact CZ2-CB 3.78Å; W271-E275 HydrophobicContact CZ2-CG 3.78Å; W271-E275 WeakPolarHBondContact O-CB 3.37Å; W271-E275 PolarHBondContact O-N 2.84Å; E275-K277 PolarHBondContact O-N 3.06Å; E275-W278 WeakPolarHBondContact O-CB 3.18Å; E275-W278 PolarHBondContact O-N 2.81Å
276	P	98.7	Very high	98.3	Very high	106 Å²	106	41.6 Å²	41.6	69%	0.688	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-66.8	-23.3	-175.5	-21.7	35.5	0	0	0	113.5	E272 L274	E272-P276 VanDerWaalsContact O-CD 3.24Å; E272-P276 WeakPolarHBondContact O-CD 3.23Å; L274-P276 VanDerWaalsContact C-CD 3.49Å
277	K	98.6	Very high	98.3	Very high	68 Å²	68	41.6 Å²	41.6	30%	0.296	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-113.9	14.8	-177.9	56.6	175.5	-177.7	-172.1	0	112.5	E273 L274 E275 W286	E273-K277 WeakPolarHBondContact O-CE 3.31Å; E273-K277 IonicContact OE1-NZ 2.88Å; E273-K277 PolarHBondContact OE1-NZ 3.32Å; L274-K277 CarbonylContact O-C 3.56Å; L274-K277 WeakPolarHBondContact O-CG 3.48Å; L274-K277 PolarHBondContact O-N 3.03Å; L274-K277 VanDerWaalsContact O-N 3.13Å; E275-K277 PolarHBondContact O-N 3.06Å; K277-W286 HydrophobicContact CB-CZ2 4.29Å; K277-W286 HydrophobicContact CD-CZ2 4.13Å; K277-W286 HydrophobicContact CG-CH2 4.05Å; K277-W286 HydrophobicContact CG-CZ2 3.8Å; K277-W286 WeakPolarHBondContact O-CZ2 3.35Å
278	W	98.7	Very high	98.3	Very high	27 Å²	27	41.4 Å²	41.4	10%	0.102	21%	0.214	C	C	.	.			trans	-58.6	132.8	-174.3	-169.2	-96.9	0	0	0	111.2	S181 R185 W271 L274 E275 W283 W286 M287	S181-W278 PolarHBondContact O-NE1 3.09Å; S181-W278 PolarHBondContact OG-NE1 3.19Å; R185-W278 HydrophobicContact CB-CG 4.15Å; R185-W278 HydrophobicContact CG-CB 4.43Å; R185-W278 HydrophobicContact CG-CG 4.15Å; W271-W278 HydrophobicContact CE3-CZ3 4.48Å; W271-W278 HydrophobicContact CH2-CD2 4.02Å; W271-W278 AromaticContact CH2-CE3 3.94Å; W271-W278 HydrophobicContact CH2-CE3 3.94Å; W271-W278 HydrophobicContact CH2-CG 4.49Å; W271-W278 HydrophobicContact CH2-CZ3 4.33Å; W271-W278 HydrophobicContact CZ3-CD2 4.05Å; W271-W278 AromaticContact CZ3-CE3 3.51Å; W271-W278 HydrophobicContact CZ3-CE3 3.51Å; W271-W278 HydrophobicContact CZ3-CH2 4.1Å; W271-W278 AromaticContact CZ3-CZ3 3.56Å; W271-W278 HydrophobicContact CZ3-CZ3 3.56Å; L274-W278 HydrophobicContact CB-CE3 4.2Å; L274-W278 HydrophobicContact CB-CZ3 4.36Å; L274-W278 PolarHBondContact O-N 2.8Å; E275-W278 WeakPolarHBondContact O-CB 3.18Å; E275-W278 PolarHBondContact O-N 2.81Å; W278-W283 HydrophobicContact CH2-CB 3.92Å; W278-W283 HydrophobicContact CH2-CD2 4.21Å; W278-W283 AromaticContact CH2-CE3 3.78Å; W278-W283 HydrophobicContact CH2-CE3 3.78Å; W278-W283 HydrophobicContact CH2-CG 4.3Å; W278-W283 HydrophobicContact CZ2-CB 3.45Å; W278-W283 VanDerWaalsContact CZ2-CB 3.45Å; W278-W283 HydrophobicContact CZ2-CD2 4.21Å; W278-W283 HydrophobicContact CZ2-CE3 4.26Å; W278-W283 AromaticContact CZ2-CG 3.9Å; W278-W283 HydrophobicContact CZ2-CG 3.9Å; W278-W286 HydrophobicContact CE3-CE3 4.48Å; W278-W286 HydrophobicContact CE3-CH2 4.23Å; W278-W286 AromaticContact CE3-CZ3 3.69Å; W278-W286 HydrophobicContact CE3-CZ3 3.69Å; W278-W286 HydrophobicContact CZ3-CE3 4.46Å; W278-W286 AromaticContact CZ3-CZ3 3.82Å; W278-W286 HydrophobicContact CZ3-CZ3 3.82Å; W278-M287 HydrophobicContact CH2-SD 4.29Å; W278-M287 HydrophobicContact CZ3-SD 4.28Å
279	P	98.5	Very high	98.2	Very high	23 Å²	23	41.7 Å²	41.7	15%	0.149	22%	0.219	C	C	.	.			trans	-76.6	157.7	-170.3	33.7	-38.3	0	0	0	111.4	S181 S281 W283 W286	S181-P279 PolarHBondContact OG-O 3.01Å; P279-S281 VanDerWaalsContact C-N 3.27Å; P279-S281 PolarHBondContact O-N 3.12Å; P279-W283 HydrophobicContact CG-CB 4.17Å; P279-W286 HydrophobicContact CB-CB 4.12Å; P279-W286 HydrophobicContact CB-CD2 4.04Å; P279-W286 HydrophobicContact CB-CG 3.75Å; P279-W286 VanDerWaalsContact CD-CD2 3.48Å; P279-W286 VanDerWaalsContact CD-CE3 3.43Å; P279-W286 HydrophobicContact CG-CB 3.78Å; P279-W286 HydrophobicContact CG-CD2 3.53Å; P279-W286 HydrophobicContact CG-CE3 3.71Å; P279-W286 HydrophobicContact CG-CG 3.56Å; P279-W286 HydrophobicContact CG-CZ3 4.46Å
280	A	97.6	Very high	98.2	Very high	67 Å²	67	38.3 Å²	38.3	55%	0.554	21%	0.206	S	C	*	.	S	Bend	trans	-68.7	-26.4	176.3	0	0	0	0	0	113	Y178 S181	Y178-A280 WeakPolarHBondContact CA-O 3.19Å; Y178-A280 HydrophobicContact CD1-CB 3.89Å; Y178-A280 WeakPolarHBondContact CD1-O 3.46Å; Y178-A280 HydrophobicContact CE1-CB 3.57Å; S181-A280 WeakPolarHBondContact CB-O 3.43Å
281	S	97.3	Very high	98.2	Very high	15 Å²	15	43.3 Å²	43.3	11%	0.105	23%	0.228	C	C	.	.	S	Bend	trans	-157.7	173.8	-179	58.5	0	0	0	0	111.1	Y178 P279 W283	Y178-S281 WeakPolarHBondContact CE2-OG 3.5Å; P279-S281 VanDerWaalsContact C-N 3.27Å; P279-S281 PolarHBondContact O-N 3.12Å; S281-W283 VanDerWaalsContact C-N 3.31Å; S281-W283 PolarHBondContact O-N 3.29Å
282	F	96.4	Very high	98.2	Very high	60 Å²	60	44 Å²	44	26%	0.263	23%	0.231	S	C	.	.			trans	51.4	46.1	174.9	-50.9	-69.8	0	0	0	113.5	F174 Y177 D284 D285 W286	F174-F282 HydrophobicContact CB-CZ 3.87Å; F174-F282 HydrophobicContact CD1-CE1 4.32Å; F174-F282 AromaticContact CD1-CZ 3.95Å; F174-F282 HydrophobicContact CD1-CZ 3.95Å; F174-F282 HydrophobicContact CD2-CZ 4.06Å; F174-F282 HydrophobicContact CE1-CZ 4.43Å; F174-F282 HydrophobicContact CG-CE1 4.5Å; F174-F282 AromaticContact CG-CZ 3.73Å; F174-F282 HydrophobicContact CG-CZ 3.73Å; Y177-F282 AromaticContact CD1-CD1 3.77Å; Y177-F282 HydrophobicContact CD1-CD1 3.77Å; Y177-F282 AromaticContact CD1-CE1 3.82Å; Y177-F282 HydrophobicContact CD1-CE1 3.82Å; Y177-F282 HydrophobicContact CD2-CD1 4.43Å; Y177-F282 AromaticContact CD2-CE1 3.66Å; Y177-F282 HydrophobicContact CD2-CE1 3.66Å; Y177-F282 HydrophobicContact CD2-CZ 4.25Å; Y177-F282 HydrophobicContact CE1-CD1 4.3Å; Y177-F282 HydrophobicContact CE1-CE1 4.23Å; Y177-F282 HydrophobicContact CE2-CE1 4.1Å; Y177-F282 AromaticContact CG-CD1 3.84Å; Y177-F282 HydrophobicContact CG-CD1 3.84Å; Y177-F282 AromaticContact CG-CE1 3.51Å; Y177-F282 HydrophobicContact CG-CE1 3.51Å; Y177-F282 HydrophobicContact CG-CZ 4.27Å; F282-D284 VanDerWaalsContact C-N 3.27Å; F282-D284 PolarHBondContact O-N 3.23Å; F282-D285 PolarHBondContact O-N 2.94Å; F282-W286 WeakPolarHBondContact O-CB 3.39Å; F282-W286 PolarHBondContact O-N 2.92Å
283	W	98.4	Very high	98.2	Very high	16 Å²	16	40.8 Å²	40.8	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-36.1	-170.1	70.5	-90.5	0	0	0	113.8	Y184 F259 W264 W278 P279 S281 M287	Y184-W283 HydrophobicContact CD1-CD2 4.38Å; Y184-W283 HydrophobicContact CD1-CH2 4.42Å; Y184-W283 HydrophobicContact CD1-CZ2 4.13Å; Y184-W283 AromaticContact CD2-NE1 3.73Å; Y184-W283 AromaticContact CE1-CE2 3.84Å; Y184-W283 AromaticContact CE1-CH2 3.77Å; Y184-W283 HydrophobicContact CE1-CH2 3.77Å; Y184-W283 AromaticContact CE1-CZ2 3.45Å; Y184-W283 HydrophobicContact CE1-CZ2 3.45Å; Y184-W283 VanDerWaalsContact CE1-CZ2 3.45Å; Y184-W283 HydrophobicContact CE1-CZ3 4.4Å; Y184-W283 AromaticContact CE2-CE2 3.86Å; Y184-W283 AromaticContact CE2-CZ2 3.93Å; Y184-W283 HydrophobicContact CE2-CZ2 3.93Å; Y184-W283 AromaticContact CE2-NE1 3.6Å; Y184-W283 AromaticContact CZ-CE2 3.72Å; Y184-W283 AromaticContact CZ-CZ2 3.33Å; Y184-W283 AromaticContact CZ-NE1 3.95Å; Y184-W283 WeakPolarHBondContact OH-CZ2 3.33Å; F259-W283 HydrophobicContact CE1-CH2 4.09Å; F259-W283 AromaticContact CE1-CZ3 3.69Å; F259-W283 HydrophobicContact CE1-CZ3 3.69Å; F259-W283 HydrophobicContact CZ-CH2 4.25Å; F259-W283 AromaticContact CZ-CZ3 3.89Å; F259-W283 HydrophobicContact CZ-CZ3 3.89Å; W264-W283 AromaticContact CE2-CH2 3.93Å; W264-W283 HydrophobicContact CH2-CZ3 4.07Å; W264-W283 AromaticContact CZ2-CH2 3.58Å; W264-W283 HydrophobicContact CZ2-CH2 3.58Å; W264-W283 AromaticContact CZ2-CZ3 3.55Å; W264-W283 HydrophobicContact CZ2-CZ3 3.55Å; W264-W283 AromaticContact NE1-CH2 3.92Å; W278-W283 HydrophobicContact CH2-CB 3.92Å; W278-W283 HydrophobicContact CH2-CD2 4.21Å; W278-W283 AromaticContact CH2-CE3 3.78Å; W278-W283 HydrophobicContact CH2-CE3 3.78Å; W278-W283 HydrophobicContact CH2-CG 4.3Å; W278-W283 HydrophobicContact CZ2-CB 3.45Å; W278-W283 VanDerWaalsContact CZ2-CB 3.45Å; W278-W283 HydrophobicContact CZ2-CD2 4.21Å; W278-W283 HydrophobicContact CZ2-CE3 4.26Å; W278-W283 AromaticContact CZ2-CG 3.9Å; W278-W283 HydrophobicContact CZ2-CG 3.9Å; P279-W283 HydrophobicContact CG-CB 4.17Å; S281-W283 VanDerWaalsContact C-N 3.31Å; S281-W283 PolarHBondContact O-N 3.29Å; W283-M287 HydrophobicContact CE3-CG 4.42Å; W283-M287 HydrophobicContact CE3-SD 3.58Å; W283-M287 VanDerWaalsContact CE3-SD 3.58Å; W283-M287 HydrophobicContact CZ3-SD 3.56Å; W283-M287 VanDerWaalsContact CZ3-SD 3.56Å; W283-M287 WeakPolarHBondContact O-CG 3.22Å; W283-M287 PolarHBondContact O-N 3.31Å
284	D	97.3	Very high	98.2	Very high	46 Å²	46	46.2 Å²	46.2	25%	0.246	23%	0.234	C	C	.	.	H	α-helix	trans	-74.3	-44.1	-177.1	66.1	-45.7	0	0	0	111.5	F259 F282 W286 M287 R288	F259-D284 HydrophobicContact CE1-CB 4.44Å; F282-D284 VanDerWaalsContact C-N 3.27Å; F282-D284 PolarHBondContact O-N 3.23Å; D284-W286 VanDerWaalsContact C-N 3.33Å; D284-M287 PolarHBondContact O-N 3.27Å; D284-R288 WeakPolarHBondContact O-CG 3.45Å; D284-R288 PolarHBondContact O-N 2.95Å; D284-R288 VanDerWaalsContact O-N 3.12Å; D284-R288 IonicContact OD2-CZ 2.78Å; D284-R288 IonicContact OD2-NH1 3.29Å; D284-R288 PolarHBondContact OD2-NH1 3.3Å; D284-R288 IonicContact OD2-NH2 3.84Å; D284-R288 PolarHBondContact OD2-NH2 3.28Å
285	D	97.3	Very high	98.1	Very high	47 Å²	47	48.9 Å²	48.9	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-36.9	172	-91.7	-7.9	0	0	0	111.7	F282 R288 Q289 K403	F282-D285 PolarHBondContact O-N 2.94Å; D285-R288 WeakPolarHBondContact O-CB 3.15Å; D285-R288 PolarHBondContact O-N 3.42Å; D285-R288 IonicContact OD1-CZ 2.81Å; D285-R288 IonicContact OD1-NH1 3.41Å; D285-R288 PolarHBondContact OD1-NH1 3.15Å; D285-Q289 PolarHBondContact O-N 3.01Å; D285-K403 VanDerWaalsContact OD1-CD 3.28Å; D285-K403 WeakPolarHBondContact OD1-CD 3.49Å; D285-K403 WeakPolarHBondContact OD1-CE 3.43Å; D285-K403 IonicContact OD1-NZ 2.79Å; D285-K403 PolarHBondContact OD1-NZ 3.27Å; D285-K403 IonicContact OD2-NZ 2.81Å; D285-K403 PolarHBondContact OD2-NZ 2.85Å
286	W	98.6	Very high	98.1	Very high	29 Å²	29	49.4 Å²	49.4	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-42.3	171.9	171.5	82.7	0	0	0	112	L274 K277 W278 P279 F282 D284 R288 Q289 Q292	L274-W286 HydrophobicContact CB-CH2 4.16Å; L274-W286 HydrophobicContact CB-CZ3 4.34Å; L274-W286 HydrophobicContact CD2-CH2 3.6Å; L274-W286 HydrophobicContact CD2-CZ3 3.7Å; L274-W286 HydrophobicContact CG-CH2 4.46Å; L274-W286 HydrophobicContact CG-CZ3 4.49Å; K277-W286 HydrophobicContact CB-CZ2 4.29Å; K277-W286 HydrophobicContact CD-CZ2 4.13Å; K277-W286 HydrophobicContact CG-CH2 4.05Å; K277-W286 HydrophobicContact CG-CZ2 3.8Å; K277-W286 WeakPolarHBondContact O-CZ2 3.35Å; W278-W286 HydrophobicContact CE3-CE3 4.48Å; W278-W286 HydrophobicContact CE3-CH2 4.23Å; W278-W286 AromaticContact CE3-CZ3 3.69Å; W278-W286 HydrophobicContact CE3-CZ3 3.69Å; W278-W286 HydrophobicContact CZ3-CE3 4.46Å; W278-W286 AromaticContact CZ3-CZ3 3.82Å; W278-W286 HydrophobicContact CZ3-CZ3 3.82Å; P279-W286 HydrophobicContact CB-CB 4.12Å; P279-W286 HydrophobicContact CB-CD2 4.04Å; P279-W286 HydrophobicContact CB-CG 3.75Å; P279-W286 VanDerWaalsContact CD-CD2 3.48Å; P279-W286 VanDerWaalsContact CD-CE3 3.43Å; P279-W286 HydrophobicContact CG-CB 3.78Å; P279-W286 HydrophobicContact CG-CD2 3.53Å; P279-W286 HydrophobicContact CG-CE3 3.71Å; P279-W286 HydrophobicContact CG-CG 3.56Å; P279-W286 HydrophobicContact CG-CZ3 4.46Å; F282-W286 WeakPolarHBondContact O-CB 3.39Å; F282-W286 PolarHBondContact O-N 2.92Å; D284-W286 VanDerWaalsContact C-N 3.33Å; W286-R288 PolarHBondContact O-N 3.31Å; W286-Q289 VanDerWaalsContact O-CB 3.27Å; W286-Q289 WeakPolarHBondContact O-CB 3.18Å; W286-Q289 PolarHBondContact O-N 3.2Å; W286-Q289 VanDerWaalsContact O-N 3.11Å; W286-Q292 HydrophobicContact CD2-CG 3.72Å; W286-Q292 VanDerWaalsContact CE2-NE2 3.34Å; W286-Q292 HydrophobicContact CE3-CG 3.9Å; W286-Q292 HydrophobicContact CH2-CG 3.53Å; W286-Q292 HydrophobicContact CZ2-CG 3.29Å; W286-Q292 VanDerWaalsContact CZ2-NE2 3.31Å; W286-Q292 HydrophobicContact CZ3-CG 3.81Å; W286-Q292 PolarHBondContact O-OE1 2.99Å
287	M	98.6	Very high	98.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-32	173.7	-80.1	-176.1	67.5	0	0	112.2	W231 F259 W264 L274 W278 W283 D284 Q289	W231-M287 HydrophobicContact CH2-CB 3.87Å; W231-M287 HydrophobicContact CH2-CE 3.72Å; W231-M287 HydrophobicContact CH2-CG 4.33Å; W231-M287 WeakPolarHBondContact CH2-O 3.42Å; W231-M287 HydrophobicContact CZ2-CE 4.34Å; W231-M287 HydrophobicContact CZ3-CE 3.83Å; F259-M287 HydrophobicContact CD1-CB 4.09Å; F259-M287 HydrophobicContact CD1-CE 4.45Å; F259-M287 HydrophobicContact CD2-CE 4.16Å; F259-M287 HydrophobicContact CE1-CB 4.31Å; F259-M287 HydrophobicContact CE1-CE 4.03Å; F259-M287 HydrophobicContact CE1-SD 4.02Å; F259-M287 HydrophobicContact CE2-CE 3.72Å; F259-M287 HydrophobicContact CZ-CE 3.64Å; F259-M287 HydrophobicContact CZ-SD 4.03Å; W264-M287 HydrophobicContact CH2-CE 4.22Å; W264-M287 HydrophobicContact CH2-SD 4.29Å; W264-M287 HydrophobicContact CZ3-CE 4.1Å; L274-M287 HydrophobicContact CD1-CE 4.01Å; L274-M287 HydrophobicContact CD1-SD 4.38Å; W278-M287 HydrophobicContact CH2-SD 4.29Å; W278-M287 HydrophobicContact CZ3-SD 4.28Å; W283-M287 HydrophobicContact CE3-CG 4.42Å; W283-M287 HydrophobicContact CE3-SD 3.58Å; W283-M287 VanDerWaalsContact CE3-SD 3.58Å; W283-M287 HydrophobicContact CZ3-SD 3.56Å; W283-M287 VanDerWaalsContact CZ3-SD 3.56Å; W283-M287 WeakPolarHBondContact O-CG 3.22Å; W283-M287 PolarHBondContact O-N 3.31Å; D284-M287 PolarHBondContact O-N 3.27Å; M287-Q289 PolarHBondContact O-N 3.37Å
288	R	98.4	Very high	98.1	Very high	16 Å²	16	41.1 Å²	41.1	6%	0.06	22%	0.216	C	C	.	.	H	α-helix	trans	-70.4	-16.7	178	-67.9	166.9	-173.1	131.2	8.4	113.4	F259 D284 D285 W286 K403	F259-R288 HydrophobicContact CB-CG 3.97Å; F259-R288 HydrophobicContact CD1-CG 4.48Å; F259-R288 PolarHBondContact O-NE 3.28Å; F259-R288 PolarHBondContact O-NH2 2.98Å; D284-R288 WeakPolarHBondContact O-CG 3.45Å; D284-R288 PolarHBondContact O-N 2.95Å; D284-R288 VanDerWaalsContact O-N 3.12Å; D284-R288 IonicContact OD2-CZ 2.78Å; D284-R288 IonicContact OD2-NH1 3.29Å; D284-R288 PolarHBondContact OD2-NH1 3.3Å; D284-R288 IonicContact OD2-NH2 3.84Å; D284-R288 PolarHBondContact OD2-NH2 3.28Å; D285-R288 WeakPolarHBondContact O-CB 3.15Å; D285-R288 PolarHBondContact O-N 3.42Å; D285-R288 IonicContact OD1-CZ 2.81Å; D285-R288 IonicContact OD1-NH1 3.41Å; D285-R288 PolarHBondContact OD1-NH1 3.15Å; W286-R288 PolarHBondContact O-N 3.31Å; R288-K403 HydrophobicContact CB-CB 4.13Å; R288-K403 HydrophobicContact CG-CB 4.48Å
289	Q	98.4	Very high	98.1	Very high	76 Å²	76	39.9 Å²	39.9	36%	0.355	21%	0.211	S	C	.	.	S	Bend	trans	-65.2	145.5	179	-64.1	178.2	-1.6	0	0	111.5	D285 W286 M287 E291 Q292 R293	D285-Q289 PolarHBondContact O-N 3.01Å; W286-Q289 VanDerWaalsContact O-CB 3.27Å; W286-Q289 WeakPolarHBondContact O-CB 3.18Å; W286-Q289 PolarHBondContact O-N 3.2Å; W286-Q289 VanDerWaalsContact O-N 3.11Å; M287-Q289 PolarHBondContact O-N 3.37Å; Q289-E291 WeakPolarHBondContact CB-OE2 3.35Å; Q289-E291 PolarHBondContact O-N 3.11Å; Q289-Q292 PolarHBondContact O-N 3.31Å; Q289-R293 WeakPolarHBondContact O-CB 3.42Å; Q289-R293 PolarHBondContact O-N 3.33Å
290	P	98.1	Very high	98.2	Very high	45 Å²	45	38.9 Å²	38.9	29%	0.292	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-28.3	-175.9	23.4	-32	0	0	0	113.4	Q292 R294	P290-Q292 VanDerWaalsContact C-N 3.28Å; P290-Q292 PolarHBondContact O-N 3.24Å; P290-R294 WeakPolarHBondContact O-CA 3.07Å; P290-R294 PolarHBondContact O-N 2.92Å
291	E	98.2	Very high	98.2	Very high	117 Å²	117	35.7 Å²	35.7	55%	0.547	18%	0.178	S	C	.	.	H	α-helix	trans	-65.2	-30.7	179	-62.6	72.1	-158.7	0	0	112.6	Q289	Q289-E291 WeakPolarHBondContact CB-OE2 3.35Å; Q289-E291 PolarHBondContact O-N 3.11Å
292	Q	98.6	Very high	98.3	Very high	13 Å²	13	35 Å²	35	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-91.7	-53	175.3	-75.4	63	42	0	0	110.4	L274 W286 Q289 P290 R294 R296	L274-Q292 HydrophobicContact CD2-CB 4.25Å; L274-Q292 HydrophobicContact CD2-CG 4.1Å; W286-Q292 HydrophobicContact CD2-CG 3.72Å; W286-Q292 VanDerWaalsContact CE2-NE2 3.34Å; W286-Q292 HydrophobicContact CE3-CG 3.9Å; W286-Q292 HydrophobicContact CH2-CG 3.53Å; W286-Q292 HydrophobicContact CZ2-CG 3.29Å; W286-Q292 VanDerWaalsContact CZ2-NE2 3.31Å; W286-Q292 HydrophobicContact CZ3-CG 3.81Å; W286-Q292 PolarHBondContact O-OE1 2.99Å; Q289-Q292 PolarHBondContact O-N 3.31Å; P290-Q292 VanDerWaalsContact C-N 3.28Å; P290-Q292 PolarHBondContact O-N 3.24Å; Q292-R294 VanDerWaalsContact C-N 3.29Å; Q292-R294 PolarHBondContact O-N 3.06Å; Q292-R296 PolarHBondContact O-NH2 3.28Å
293	R	98.4	Very high	98.4	Very high	15 Å²	15	32.3 Å²	32.3	6%	0.057	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-36.3	-175.5	-174.7	171.7	59.4	84.7	-0.7	112.5	W231 D257 Q289 G295 R296	W231-R293 HydrophobicContact CH2-CB 4.3Å; W231-R293 HydrophobicContact CZ2-CB 4.1Å; W231-R293 HydrophobicContact CZ2-CG 4.03Å; D257-R293 WeakPolarHBondContact O-CD 3.28Å; Q289-R293 WeakPolarHBondContact O-CB 3.42Å; Q289-R293 PolarHBondContact O-N 3.33Å; R293-G295 PolarHBondContact O-N 3.26Å; R293-R296 VanDerWaalsContact CG-O 3.26Å; R293-R296 WeakPolarHBondContact CG-O 3.34Å; R293-R296 VanDerWaalsContact O-CB 3.32Å; R293-R296 WeakPolarHBondContact O-CB 3.41Å; R293-R296 PolarHBondContact O-N 2.87Å; R293-R296 PolarHBondContact O-NE 3.42Å; R293-R296 VanDerWaalsContact O-NE 3.09Å
294	R	98.1	Very high	98.4	Very high	156 Å²	156	31.6 Å²	31.6	59%	0.589	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.4	177.8	-63.7	178.2	170.3	-172.2	-5.5	113.6	E273 P290 Q292 R296	E273-R294 IonicContact OE1-CZ 3.27Å; E273-R294 VanDerWaalsContact OE1-CZ 3.29Å; E273-R294 IonicContact OE1-NE 2.9Å; E273-R294 PolarHBondContact OE1-NE 3.07Å; E273-R294 IonicContact OE1-NH1 3.2Å; E273-R294 PolarHBondContact OE1-NH1 2.65Å; E273-R294 IonicContact OE1-NH2 3.58Å; E273-R294 IonicContact OE2-NH1 3.25Å; P290-R294 WeakPolarHBondContact O-CA 3.07Å; P290-R294 PolarHBondContact O-N 2.92Å; Q292-R294 VanDerWaalsContact C-N 3.29Å; Q292-R294 PolarHBondContact O-N 3.06Å; R294-R296 PolarHBondContact O-N 3.44Å
295	G	97.5	Very high	98.5	Very high	56 Å²	56	29.4 Å²	29.4	58%	0.577	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	4	-178.9	0	0	0	0	0	115.4	R293	R293-G295 PolarHBondContact O-N 3.26Å
296	R	98.7	Very high	98.6	Very high	38 Å²	38	27.1 Å²	27.1	14%	0.143	14%	0.135	C	C	.	.			trans	-75.1	151.1	177	-63.2	169.8	-66.6	-165.7	-7.9	111.2	S229 W231 E273 Q292 R293 R294	S229-R296 CarbonylContact O-C 3.49Å; S229-R296 WeakPolarHBondContact O-CA 3.12Å; S229-R296 WeakPolarHBondContact O-CB 3.38Å; W231-R296 HydrophobicContact CB-CB 4.02Å; W231-R296 HydrophobicContact CG-CB 3.93Å; E273-R296 IonicContact OE1-NH2 3.29Å; E273-R296 PolarHBondContact OE1-NH2 3.44Å; E273-R296 IonicContact OE2-CZ 3.97Å; E273-R296 VanDerWaalsContact OE2-CZ 3.27Å; E273-R296 IonicContact OE2-NH1 3.48Å; E273-R296 PolarHBondContact OE2-NH1 2.73Å; E273-R296 IonicContact OE2-NH2 2.81Å; E273-R296 PolarHBondContact OE2-NH2 3.07Å; Q292-R296 PolarHBondContact O-NH2 3.28Å; R293-R296 VanDerWaalsContact CG-O 3.26Å; R293-R296 WeakPolarHBondContact CG-O 3.34Å; R293-R296 VanDerWaalsContact O-CB 3.32Å; R293-R296 WeakPolarHBondContact O-CB 3.41Å; R293-R296 PolarHBondContact O-N 2.87Å; R293-R296 PolarHBondContact O-NE 3.42Å; R293-R296 VanDerWaalsContact O-NE 3.09Å; R294-R296 PolarHBondContact O-N 3.44Å
297	A	98.9	Very high	98.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	163.8	179	0	0	0	0	0	111.5	S229 L230 W231 R255 T256 Y411	S229-A297 PolarHBondContact O-N 2.88Å; L230-A297 VanDerWaalsContact CA-O 3.25Å; L230-A297 WeakPolarHBondContact CA-O 3.14Å; L230-A297 HydrophobicContact CD2-CB 4.18Å; L230-A297 VanDerWaalsContact CD2-O 3.26Å; L230-A297 WeakPolarHBondContact CD2-O 3.42Å; W231-A297 VanDerWaalsContact CD1-O 3.27Å; W231-A297 PolarHBondContact N-O 3.2Å; W231-A297 VanDerWaalsContact N-O 3.07Å; R255-A297 HydrophobicContact CB-CB 4.32Å; T256-A297 CarbonylContact O-C 3.51Å; T256-A297 VanDerWaalsContact O-CA 3.26Å; T256-A297 WeakPolarHBondContact O-CA 3.33Å; T256-A297 WeakPolarHBondContact O-CB 3.41Å; A297-Y411 HydrophobicContact CB-CE2 4.4Å
298	C	98.9	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	158.6	163.6	-64.1	0	0	0	0	111.1	W231 C232 R255 T256	W231-C298 PolarHBondContact NE1-SG 2.85Å; C232-C298 HydrophobicContact CB-CB 4.2Å; C232-C298 WeakPolarHBondContact CB-SG 3.12Å; C232-C298 WeakPolarHBondContact O-CA 2.98Å; C232-C298 WeakPolarHBondContact O-CB 3.44Å; C232-C298 WeakPolarHBondContact SG-CB 3.36Å; C232-C298 CovalentContact SG-SG 2.02Å; C232-C298 PolarHBondContact SG-SG 2.91Å; R255-C298 CarbonylContact C-O 3.47Å; R255-C298 WeakPolarHBondContact CA-O 2.94Å; T256-C298 HydrophobicContact CG2-CB 4.04Å; T256-C298 WeakPolarHBondContact CG2-O 3.39Å; T256-C298 PolarHBondContact N-O 2.99Å; T256-C298 PolarHBondContact O-N 3.33Å
299	I	98.9	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.4	164.5	-60	176.8	0	0	0	108.8	L220 V223 L230 C232 V233 S234 L253 Y254 L344	L220-I299 HydrophobicContact CD1-CG2 3.9Å; L220-I299 HydrophobicContact CD2-CD1 3.74Å; L220-I299 HydrophobicContact CD2-CG2 4.13Å; V223-I299 HydrophobicContact CB-CD1 4.34Å; V223-I299 HydrophobicContact CG1-CD1 3.73Å; L230-I299 HydrophobicContact CD1-CD1 3.61Å; L230-I299 HydrophobicContact CD1-CG1 3.84Å; L230-I299 HydrophobicContact CD2-CG1 3.91Å; C232-I299 PolarHBondContact O-N 2.96Å; C232-I299 VanDerWaalsContact O-N 3.09Å; V233-I299 HydrophobicContact CG1-CB 4.37Å; V233-I299 HydrophobicContact CG2-CB 4.25Å; V233-I299 HydrophobicContact CG2-CD1 4.48Å; S234-I299 PolarHBondContact N-O 3.41Å; L253-I299 HydrophobicContact CB-CG2 4.16Å; L253-I299 HydrophobicContact CD1-CG2 4.3Å; Y254-I299 CarbonylContact O-C 3.54Å; Y254-I299 VanDerWaalsContact O-CA 3.3Å; Y254-I299 WeakPolarHBondContact O-CA 3.38Å; I299-L344 HydrophobicContact CD1-CB 4.27Å; I299-L344 HydrophobicContact CD1-CD1 4.05Å; I299-L344 HydrophobicContact CG2-CD1 4.26Å
300	R	98.9	Very high	97.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.4	174.2	68.8	83.9	176.4	171.4	3.3	111	N237 Y254 T256 E302 S416	N237-R300 PolarHBondContact ND2-NH1 3.25Å; Y254-R300 VanDerWaalsContact CE2-NH1 3.26Å; Y254-R300 PolarHBondContact N-O 3.28Å; Y254-R300 PolarHBondContact O-N 2.94Å; T256-R300 HydrophobicContact CG2-CB 3.87Å; T256-R300 HydrophobicContact CG2-CG 3.57Å; R300-E302 IonicContact NH1-OE2 2.7Å; R300-S416 PolarHBondContact NH2-O 2.78Å
301	P	98.9	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	166.1	179.2	35.7	-36.7	0	0	0	113.6	Y216 S234 L253 I303 R305	Y216-P301 HydrophobicContact CE2-CB 4.43Å; S234-P301 WeakPolarHBondContact O-CD 3.42Å; L253-P301 HydrophobicContact CD2-CB 3.84Å; P301-I303 VanDerWaalsContact CB-O 3.23Å; P301-I303 WeakPolarHBondContact CB-O 3.44Å; P301-I303 VanDerWaalsContact CG-O 3.28Å; P301-I303 WeakPolarHBondContact CG-O 3.44Å; P301-R305 VanDerWaalsContact CB-NH1 3.26Å
302	E	98.6	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-66.4	-49.6	163.6	179.4	62.1	170.6	0	0	111.2	N237 V245 D246 L252 Y254 R300 R423	N237-E302 PolarHBondContact ND2-O 2.82Å; V245-E302 WeakPolarHBondContact CA-OE1 3.16Å; V245-E302 HydrophobicContact CB-CG 4.29Å; V245-E302 WeakPolarHBondContact CG1-O 3.28Å; D246-E302 PolarHBondContact N-OE1 2.87Å; L252-E302 HydrophobicContact CB-CB 4.1Å; L252-E302 WeakPolarHBondContact O-CB 3.43Å; L252-E302 PolarHBondContact O-N 2.88Å; Y254-E302 HydrophobicContact CE2-CB 3.95Å; Y254-E302 VanDerWaalsContact CE2-OE2 3.24Å; Y254-E302 WeakPolarHBondContact CE2-OE2 3.47Å; Y254-E302 PolarHBondContact OH-OE2 3.43Å; R300-E302 IonicContact NH1-OE2 2.7Å; E302-R423 IonicContact OE1-CZ 3.21Å; E302-R423 VanDerWaalsContact OE1-CZ 3.27Å; E302-R423 IonicContact OE1-NH1 3.15Å; E302-R423 PolarHBondContact OE1-NH1 3.42Å; E302-R423 IonicContact OE1-NH2 2.85Å; E302-R423 PolarHBondContact OE1-NH2 2.83Å; E302-R423 IonicContact OE2-CZ 2.82Å; E302-R423 IonicContact OE2-NH1 2.73Å; E302-R423 PolarHBondContact OE2-NH1 3.5Å; E302-R423 IonicContact OE2-NH2 2.77Å
303	I	98.7	Very high	95.1	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	17%	0.167	C	C	.	.	S	Bend	trans	-109.7	127.2	176.9	-50	179.9	0	0	0	108.8	V245 P250 P301 R305 K328 N330	V245-I303 HydrophobicContact CB-CG1 4.24Å; V245-I303 HydrophobicContact CG2-CG1 4.17Å; P250-I303 HydrophobicContact CB-CD1 4.11Å; P301-I303 VanDerWaalsContact CB-O 3.23Å; P301-I303 WeakPolarHBondContact CB-O 3.44Å; P301-I303 VanDerWaalsContact CG-O 3.28Å; P301-I303 WeakPolarHBondContact CG-O 3.44Å; I303-R305 WeakPolarHBondContact O-CD 3.14Å; I303-R305 PolarHBondContact O-NH1 2.67Å; I303-K328 HydrophobicContact CG2-CD 3.91Å; I303-K328 HydrophobicContact CG2-CG 4.27Å; I303-N330 HydrophobicContact CB-CB 4.3Å; I303-N330 HydrophobicContact CG2-CB 3.77Å
304	S	98.8	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-60.4	143.4	-175.6	-59.1	0	0	0	0	112.5	A235 N237 T306 I327 N330	A235-S304 CarbonylContact O-C 3.6Å; A235-S304 VanDerWaalsContact O-CA 3.23Å; A235-S304 WeakPolarHBondContact O-CA 3.34Å; A235-S304 WeakPolarHBondContact O-CB 3.22Å; N237-S304 PolarHBondContact N-OG 2.71Å; S304-T306 VanDerWaalsContact CB-O 3.24Å; S304-T306 WeakPolarHBondContact CB-O 3.48Å; S304-I327 WeakPolarHBondContact OG-CG2 3.36Å; S304-N330 WeakPolarHBondContact O-CB 3.47Å; S304-N330 PolarHBondContact O-N 3.47Å
305	R	98.9	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-95.6	0.8	173.6	-89	59.7	-172.7	-163.8	-1.1	112.2	V209 A210 D212 F213 Y216 A235 P250 P301 I303 F336	V209-R305 CarbonylContact C-O 3.46Å; V209-R305 WeakPolarHBondContact CA-O 3.35Å; A210-R305 HydrophobicContact CB-CB 4.18Å; A210-R305 HydrophobicContact CB-CG 4.07Å; A210-R305 WeakPolarHBondContact CB-O 3.33Å; A210-R305 PolarHBondContact N-O 3.25Å; D212-R305 WeakPolarHBondContact OD1-CG 3.28Å; D212-R305 IonicContact OD1-NE 3.21Å; D212-R305 PolarHBondContact OD1-NE 2.88Å; D212-R305 IonicContact OD2-CZ 3.98Å; D212-R305 IonicContact OD2-NE 3.01Å; D212-R305 PolarHBondContact OD2-NE 2.77Å; D212-R305 IonicContact OD2-NH2 3.79Å; D212-R305 PolarHBondContact OD2-NH2 2.84Å; F213-R305 HydrophobicContact CD2-CB 4.3Å; Y216-R305 HydrophobicContact CG-CG 4.3Å; A235-R305 HydrophobicContact CB-CB 3.68Å; A235-R305 PolarHBondContact O-N 2.74Å; P250-R305 VanDerWaalsContact O-CZ 3.3Å; P250-R305 PolarHBondContact O-NH1 2.87Å; P250-R305 PolarHBondContact O-NH2 3.44Å; P301-R305 VanDerWaalsContact CB-NH1 3.26Å; I303-R305 WeakPolarHBondContact O-CD 3.14Å; I303-R305 PolarHBondContact O-NH1 2.67Å; R305-F336 VanDerWaalsContact NH2-CE2 3.29Å
306	T	98.6	Very high	91.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.7	172.3	42.3	0	0	0	0	110	L207 E208 V209 F213 A235 W236 L262 S304	L207-T306 HydrophobicContact CD1-CG2 4.4Å; E208-T306 CarbonylContact O-C 3.43Å; E208-T306 VanDerWaalsContact O-CA 3.24Å; E208-T306 WeakPolarHBondContact O-CA 3.38Å; V209-T306 HydrophobicContact CG1-CG2 4.17Å; F213-T306 HydrophobicContact CD2-CG2 4.11Å; F213-T306 HydrophobicContact CE2-CG2 3.7Å; A235-T306 HydrophobicContact CB-CG2 3.87Å; A235-T306 WeakPolarHBondContact CB-OG1 3.42Å; W236-T306 WeakPolarHBondContact CZ3-O 3.35Å; L262-T306 PolarHBondContact O-OG1 3.2Å; S304-T306 VanDerWaalsContact CB-O 3.24Å; S304-T306 WeakPolarHBondContact CB-O 3.48Å
307	L	95.8	Very high	90.4	Very high	36 Å²	36	34 Å²	34	19%	0.188	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.7	162	73	77.3	0	0	0	107.9	L207 E208 F309 L329	L207-L307 CarbonylContact C-O 3.57Å; L207-L307 VanDerWaalsContact CA-O 3.31Å; L207-L307 WeakPolarHBondContact CA-O 3.46Å; E208-L307 HydrophobicContact CB-CD1 4.04Å; E208-L307 HydrophobicContact CB-CG 4.05Å; E208-L307 PolarHBondContact N-O 3.37Å; E208-L307 PolarHBondContact O-N 3.14Å; L307-F309 HydrophobicContact CD1-CB 4.44Å; L307-F309 HydrophobicContact CD1-CD1 4.39Å; L307-L329 HydrophobicContact CB-CB 4.14Å; L307-L329 HydrophobicContact CB-CD1 4.4Å; L307-L329 HydrophobicContact CD2-CB 3.69Å; L307-L329 HydrophobicContact CD2-CD2 3.76Å; L307-L329 HydrophobicContact CD2-CG 4.25Å; L307-L329 HydrophobicContact CG-CB 4.26Å; L307-L329 HydrophobicContact CG-CD2 4.19Å
308	T	94.4	Very high	88.8	Confident	9 Å²	9	41.1 Å²	41.1	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.8	169.4	-178.1	0	0	0	0	110.7	D206 W236 G310 Y320 L324	D206-T308 CarbonylContact O-C 3.52Å; D206-T308 WeakPolarHBondContact O-CA 3.37Å; D206-T308 PolarHBondContact O-OG1 3.08Å; D206-T308 PolarHBondContact OD1-OG1 3.49Å; W236-T308 HydrophobicContact CH2-CG2 4.08Å; T308-G310 PolarHBondContact OG1-N 3.34Å; T308-G310 VanDerWaalsContact OG1-N 3.17Å; T308-Y320 HydrophobicContact CG2-CD2 3.97Å; T308-Y320 HydrophobicContact CG2-CE2 3.94Å; T308-L324 HydrophobicContact CG2-CB 3.59Å; T308-L324 HydrophobicContact CG2-CD1 4.31Å
309	F	92.9	Very high	87.6	Confident	29 Å²	29	45.2 Å²	45.2	13%	0.127	24%	0.235	C	C	.	.			trans	-112.4	7.2	169.5	56.1	-100.7	0	0	0	112.3	R115 C116 D205 D206 L207 E208 L307 R311	R115-F309 HydrophobicContact CB-CE1 4.14Å; R115-F309 HydrophobicContact CB-CE2 4.3Å; R115-F309 HydrophobicContact CB-CZ 3.78Å; R115-F309 HydrophobicContact CG-CD1 4.26Å; R115-F309 HydrophobicContact CG-CE1 3.73Å; R115-F309 HydrophobicContact CG-CZ 3.9Å; C116-F309 HydrophobicContact CB-CZ 4.32Å; D205-F309 WeakPolarHBondContact O-CZ 3.47Å; D206-F309 VanDerWaalsContact C-CE1 3.47Å; D206-F309 HydrophobicContact CB-CD2 4.32Å; D206-F309 HydrophobicContact CB-CE2 4.14Å; D206-F309 WeakPolarHBondContact O-CD1 3.36Å; D206-F309 WeakPolarHBondContact O-CE1 3.35Å; D206-F309 WeakPolarHBondContact O-CG 3.38Å; D206-F309 PolarHBondContact O-N 3.18Å; L207-F309 VanDerWaalsContact C-CE1 3.47Å; L207-F309 WeakPolarHBondContact O-CE1 3.44Å; E208-F309 HydrophobicContact CB-CD1 4.08Å; E208-F309 HydrophobicContact CB-CE1 4.09Å; L307-F309 HydrophobicContact CD1-CB 4.44Å; L307-F309 HydrophobicContact CD1-CD1 4.39Å; F309-R311 PolarHBondContact O-N 2.78Å; F309-R311 VanDerWaalsContact O-N 3.08Å
310	G	85.8	Confident	86.7	Confident	15 Å²	15	47 Å²	47	16%	0.155	24%	0.242	C	C	.	.			trans	-83.5	72.7	-174.5	0	0	0	0	0	114.1	D206 T308 Q312	D206-G310 WeakPolarHBondContact OD2-CA 3.43Å; T308-G310 PolarHBondContact OG1-N 3.34Å; T308-G310 VanDerWaalsContact OG1-N 3.17Å; G310-Q312 PolarHBondContact O-N 3.14Å
311	R	85.1	Confident	85.8	Confident	134 Å²	134	49.5 Å²	49.5	51%	0.506	26%	0.256	S	S	.	.			trans	-63	-41.2	175.5	-174.5	172.3	-177	-88.1	-8.8	112.8	F309 G317 Y320 D321	F309-R311 PolarHBondContact O-N 2.78Å; F309-R311 VanDerWaalsContact O-N 3.08Å; R311-G317 WeakPolarHBondContact O-CA 3.27Å; R311-Y320 HydrophobicContact CB-CD1 3.73Å; R311-Y320 HydrophobicContact CB-CE1 3.58Å; R311-Y320 HydrophobicContact CB-CG 4.27Å; R311-Y320 HydrophobicContact CG-CD1 3.68Å; R311-Y320 HydrophobicContact CG-CE1 3.88Å; R311-Y320 HydrophobicContact CG-CG 4.42Å; R311-D321 IonicContact CZ-OD2 3.46Å; R311-D321 IonicContact NE-OD1 3.85Å; R311-D321 IonicContact NE-OD2 3.7Å; R311-D321 PolarHBondContact NE-OD2 2.87Å; R311-D321 IonicContact NH2-OD2 2.72Å; R311-D321 PolarHBondContact NH2-OD2 3.08Å
312	Q	81	Confident	84.7	Confident	156 Å²	156	55.4 Å²	55.4	73%	0.729	28%	0.281	S	S	*	.	S	Bend	trans	-98	124.5	177.3	-66.4	179.6	3.7	0	0	109.6	R110 G310	R110-Q312 PolarHBondContact NH1-O 3.35Å; G310-Q312 PolarHBondContact O-N 3.14Å
313	G	81.6	Confident	83.8	Confident	33 Å²	33	56.7 Å²	56.7	34%	0.34	29%	0.287	S	S	.	.	S	Bend	trans	-169.4	-171.9	-179.1	0	0	0	0	0	110.9	S315 L316	G313-S315 PolarHBondContact O-N 3.3Å; G313-S315 VanDerWaalsContact O-N 3.15Å; G313-L316 PolarHBondContact O-N 2.94Å
314	V	79.7	Confident	83.1	Confident	73 Å²	73	58.3 Å²	58.3	44%	0.442	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.7	-175.2	175.8	0	0	0	0	113.1	Y177 I180 L316	Y177-V314 HydrophobicContact CD1-CG1 4.46Å; Y177-V314 HydrophobicContact CD2-CG1 3.94Å; Y177-V314 HydrophobicContact CE1-CG1 4.35Å; Y177-V314 HydrophobicContact CE2-CG1 3.81Å; Y177-V314 HydrophobicContact CG-CG1 4.27Å; I180-V314 HydrophobicContact CD1-CB 3.9Å; I180-V314 HydrophobicContact CD1-CG1 4.07Å; I180-V314 HydrophobicContact CD1-CG2 3.67Å; I180-V314 HydrophobicContact CG1-CG2 4.45Å; V314-L316 VanDerWaalsContact C-N 3.34Å
315	S	75.1	Confident	82.4	Confident	52 Å²	52	62.5 Å²	62.5	36%	0.364	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	6.6	178.9	62.7	0	0	0	0	114.8	Y177 G313 G317 Q318	Y177-S315 WeakPolarHBondContact OH-CA 3.24Å; Y177-S315 WeakPolarHBondContact OH-CB 3.2Å; G313-S315 PolarHBondContact O-N 3.3Å; G313-S315 VanDerWaalsContact O-N 3.15Å; S315-G317 PolarHBondContact O-N 2.71Å; S315-Q318 PolarHBondContact O-N 3.07Å
316	L	70.3	Confident	82	Confident	162 Å²	162	67.5 Å²	67.5	85%	0.848	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	26.1	-179.5	-55.7	176.7	0	0	0	114.3	G313 V314 Q318	G313-L316 PolarHBondContact O-N 2.94Å; V314-L316 VanDerWaalsContact C-N 3.34Å; L316-Q318 VanDerWaalsContact C-N 3.29Å; L316-Q318 PolarHBondContact O-N 2.91Å
317	G	68.4	Low	81.8	Confident	7 Å²	7	68.2 Å²	68.2	7%	0.072	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	7.7	174.2	0	0	0	0	0	115.7	R311 S315 F319 Y320 D321	R311-G317 WeakPolarHBondContact O-CA 3.27Å; S315-G317 PolarHBondContact O-N 2.71Å; G317-F319 VanDerWaalsContact C-N 3.27Å; G317-F319 PolarHBondContact O-N 3.23Å; G317-F319 VanDerWaalsContact O-N 3.15Å; G317-Y320 PolarHBondContact O-N 2.99Å; G317-D321 PolarHBondContact O-N 3.46Å
318	Q	65.6	Low	81.9	Confident	151 Å²	151	69.2 Å²	69.2	71%	0.706	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.7	-173.6	-172.9	178.4	3.8	0	0	113.8	S315 L316	S315-Q318 PolarHBondContact O-N 3.07Å; L316-Q318 VanDerWaalsContact C-N 3.29Å; L316-Q318 PolarHBondContact O-N 2.91Å
319	F	73.7	Confident	82	Confident	85 Å²	85	70.5 Å²	70.5	37%	0.373	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-20.7	177.9	-68.6	-84.7	0	0	0	113.5	G317 Y323 L324	G317-F319 VanDerWaalsContact C-N 3.27Å; G317-F319 PolarHBondContact O-N 3.23Å; G317-F319 VanDerWaalsContact O-N 3.15Å; F319-Y323 HydrophobicContact CD1-CD2 4.17Å; F319-Y323 HydrophobicContact CD1-CE2 4.4Å; F319-Y323 PolarHBondContact O-N 2.95Å; F319-L324 HydrophobicContact CB-CD1 4.37Å; F319-L324 HydrophobicContact CB-CG 4.49Å; F319-L324 PolarHBondContact O-N 2.72Å
320	Y	79.3	Confident	82.3	Confident	37 Å²	37	69.3 Å²	69.3	15%	0.145	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-51.7	-176.8	-179.7	-88.7	0	0	0	111.3	T308 R311 G317 K322 L324 K325	T308-Y320 HydrophobicContact CG2-CD2 3.97Å; T308-Y320 HydrophobicContact CG2-CE2 3.94Å; R311-Y320 HydrophobicContact CB-CD1 3.73Å; R311-Y320 HydrophobicContact CB-CE1 3.58Å; R311-Y320 HydrophobicContact CB-CG 4.27Å; R311-Y320 HydrophobicContact CG-CD1 3.68Å; R311-Y320 HydrophobicContact CG-CE1 3.88Å; R311-Y320 HydrophobicContact CG-CG 4.42Å; G317-Y320 PolarHBondContact O-N 2.99Å; Y320-K322 VanDerWaalsContact C-N 3.28Å; Y320-K322 PolarHBondContact O-N 3.27Å; Y320-L324 HydrophobicContact CD2-CB 4.42Å; Y320-L324 PolarHBondContact O-N 2.8Å; Y320-K325 HydrophobicContact CD1-CB 4.08Å; Y320-K325 HydrophobicContact CD1-CD 4.41Å; Y320-K325 HydrophobicContact CE1-CB 3.62Å; Y320-K325 HydrophobicContact CE1-CD 4.11Å; Y320-K325 HydrophobicContact CE1-CG 4.47Å; Y320-K325 HydrophobicContact CE2-CB 4.21Å; Y320-K325 WeakPolarHBondContact O-CG 3.42Å; Y320-K325 PolarHBondContact O-N 2.82Å; Y320-K325 VanDerWaalsContact O-N 3.08Å
321	D	79.9	Confident	82.8	Confident	55 Å²	55	73.2 Å²	73.2	29%	0.294	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-22.4	-174.5	-86.4	-39.9	0	0	0	113.6	R311 G317 K325 F326	R311-D321 IonicContact CZ-OD2 3.46Å; R311-D321 IonicContact NE-OD1 3.85Å; R311-D321 IonicContact NE-OD2 3.7Å; R311-D321 PolarHBondContact NE-OD2 2.87Å; R311-D321 IonicContact NH2-OD2 2.72Å; R311-D321 PolarHBondContact NH2-OD2 3.08Å; G317-D321 PolarHBondContact O-N 3.46Å; D321-K325 WeakPolarHBondContact O-CE 3.27Å; D321-K325 PolarHBondContact O-NZ 3.21Å; D321-K325 IonicContact OD1-NZ 3.17Å; D321-K325 PolarHBondContact OD1-NZ 2.89Å; D321-F326 WeakPolarHBondContact O-CE2 3.39Å
322	K	76.2	Confident	83.4	Confident	124 Å²	124	72.4 Å²	72.4	54%	0.539	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-37.7	-178.9	-168.8	175.6	176.5	-156.5	0	113	Y320	Y320-K322 VanDerWaalsContact C-N 3.28Å; Y320-K322 PolarHBondContact O-N 3.27Å
323	Y	79.9	Confident	84.2	Confident	28 Å²	28	70.5 Å²	70.5	11%	0.11	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-57	-171.3	-58.4	-76.4	0	0	0	113	F319 K325 F326 M399 D400	F319-Y323 HydrophobicContact CD1-CD2 4.17Å; F319-Y323 HydrophobicContact CD1-CE2 4.4Å; F319-Y323 PolarHBondContact O-N 2.95Å; Y323-K325 PolarHBondContact O-N 3.01Å; Y323-F326 PolarHBondContact O-N 2.76Å; Y323-M399 HydrophobicContact CD1-CE 4.41Å; Y323-M399 HydrophobicContact CD1-CG 3.84Å; Y323-M399 HydrophobicContact CD2-CE 4.11Å; Y323-M399 HydrophobicContact CE1-CG 4.08Å; Y323-M399 HydrophobicContact CG-CE 4.04Å; Y323-M399 HydrophobicContact CG-CG 4.37Å; Y323-D400 PolarHBondContact OH-OD1 3.33Å
324	L	83.1	Confident	85	Confident	38 Å²	38	69.3 Å²	69.3	20%	0.199	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-67.4	-36.3	-161.8	-50.5	174.6	0	0	0	113.9	W236 T308 F319 Y320 F326 I327	W236-L324 HydrophobicContact CZ2-CB 4.38Å; W236-L324 HydrophobicContact CZ2-CD2 3.79Å; T308-L324 HydrophobicContact CG2-CB 3.59Å; T308-L324 HydrophobicContact CG2-CD1 4.31Å; F319-L324 HydrophobicContact CB-CD1 4.37Å; F319-L324 HydrophobicContact CB-CG 4.49Å; F319-L324 PolarHBondContact O-N 2.72Å; Y320-L324 HydrophobicContact CD2-CB 4.42Å; Y320-L324 PolarHBondContact O-N 2.8Å; L324-F326 PolarHBondContact O-N 3.02Å; L324-F326 VanDerWaalsContact O-N 3.15Å; L324-I327 WeakPolarHBondContact O-CG1 3.4Å; L324-I327 PolarHBondContact O-N 2.9Å
325	K	85.8	Confident	85.9	Confident	88 Å²	88	68.1 Å²	68.1	38%	0.383	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-66.3	-16	-178.6	75.7	179.9	175.4	-164.9	0	114.5	Y320 D321 Y323	Y320-K325 HydrophobicContact CD1-CB 4.08Å; Y320-K325 HydrophobicContact CD1-CD 4.41Å; Y320-K325 HydrophobicContact CE1-CB 3.62Å; Y320-K325 HydrophobicContact CE1-CD 4.11Å; Y320-K325 HydrophobicContact CE1-CG 4.47Å; Y320-K325 HydrophobicContact CE2-CB 4.21Å; Y320-K325 WeakPolarHBondContact O-CG 3.42Å; Y320-K325 PolarHBondContact O-N 2.82Å; Y320-K325 VanDerWaalsContact O-N 3.08Å; D321-K325 WeakPolarHBondContact O-CE 3.27Å; D321-K325 PolarHBondContact O-NZ 3.21Å; D321-K325 IonicContact OD1-NZ 3.17Å; D321-K325 PolarHBondContact OD1-NZ 2.89Å; Y323-K325 PolarHBondContact O-N 3.01Å
326	F	90.6	Very high	87.1	Confident	106 Å²	106	65.6 Å²	65.6	47%	0.465	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-94.3	-4.3	-177.4	-59	-67.4	0	0	0	113	R241 D321 Y323 L324 K328	R241-F326 WeakPolarHBondContact CA-O 3.45Å; R241-F326 HydrophobicContact CB-CB 4.09Å; R241-F326 WeakPolarHBondContact CB-O 3.25Å; D321-F326 WeakPolarHBondContact O-CE2 3.39Å; Y323-F326 PolarHBondContact O-N 2.76Å; L324-F326 PolarHBondContact O-N 3.02Å; L324-F326 VanDerWaalsContact O-N 3.15Å; F326-K328 PolarHBondContact O-N 3.29Å
327	I	94.6	Very high	88.4	Confident	14 Å²	14	61.4 Å²	61.4	7%	0.072	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-67.2	129.6	179.3	-62.2	-52.4	0	0	0	109.8	W236 R241 S304 L324	W236-I327 HydrophobicContact CE3-CG2 4.36Å; W236-I327 HydrophobicContact CH2-CB 3.76Å; W236-I327 HydrophobicContact CH2-CG1 3.78Å; W236-I327 HydrophobicContact CH2-CG2 3.89Å; W236-I327 HydrophobicContact CZ2-CB 3.91Å; W236-I327 HydrophobicContact CZ2-CG1 3.39Å; W236-I327 HydrophobicContact CZ2-CG2 4.06Å; W236-I327 HydrophobicContact CZ3-CB 4.4Å; W236-I327 HydrophobicContact CZ3-CG2 4.07Å; R241-I327 HydrophobicContact CB-CD1 4.37Å; S304-I327 WeakPolarHBondContact OG-CG2 3.36Å; L324-I327 WeakPolarHBondContact O-CG1 3.4Å; L324-I327 PolarHBondContact O-N 2.9Å
328	K	95.9	Very high	89.8	Confident	58 Å²	58	69.2 Å²	69.2	25%	0.252	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-79.5	123.5	-177.6	-173.6	-163.8	-169.4	110	0	109.6	G240 D242 V245 I303 F326	G240-K328 WeakPolarHBondContact O-CB 3.29Å; G240-K328 PolarHBondContact O-N 3.38Å; D242-K328 WeakPolarHBondContact OD1-CD 3.29Å; D242-K328 WeakPolarHBondContact OD1-CE 3.34Å; D242-K328 WeakPolarHBondContact OD1-CG 3.21Å; D242-K328 IonicContact OD1-NZ 3.52Å; D242-K328 PolarHBondContact OD1-NZ 2.91Å; V245-K328 HydrophobicContact CG2-CD 3.81Å; I303-K328 HydrophobicContact CG2-CD 3.91Å; I303-K328 HydrophobicContact CG2-CG 4.27Å; F326-K328 PolarHBondContact O-N 3.29Å
329	L	98	Very high	91.4	Very high	35 Å²	35	65.4 Å²	65.4	18%	0.183	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-79.6	133.3	167	-172.3	66.6	0	0	0	110.6	E208 A210 L307 S331	E208-L329 HydrophobicContact CG-CD2 4.2Å; A210-L329 HydrophobicContact CB-CD1 3.77Å; A210-L329 HydrophobicContact CB-CG 4.18Å; L307-L329 HydrophobicContact CB-CB 4.14Å; L307-L329 HydrophobicContact CB-CD1 4.4Å; L307-L329 HydrophobicContact CD2-CB 3.69Å; L307-L329 HydrophobicContact CD2-CD2 3.76Å; L307-L329 HydrophobicContact CD2-CG 4.25Å; L307-L329 HydrophobicContact CG-CB 4.26Å; L307-L329 HydrophobicContact CG-CD2 4.19Å; L329-S331 PolarHBondContact O-N 3.21Å
330	N	98.3	Very high	92.5	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-64	131.6	172.1	-178.7	46.3	0	0	0	111	A210 P211 D212 I303 S304 K332	A210-N330 HydrophobicContact CB-CB 4.09Å; A210-N330 VanDerWaalsContact CB-O 3.31Å; A210-N330 WeakPolarHBondContact CB-O 3.36Å; P211-N330 VanDerWaalsContact CD-O 3.22Å; P211-N330 WeakPolarHBondContact CD-O 3.31Å; D212-N330 VanDerWaalsContact CG-ND2 3.27Å; D212-N330 PolarHBondContact OD1-ND2 3.33Å; D212-N330 PolarHBondContact OD2-ND2 3.23Å; I303-N330 HydrophobicContact CB-CB 4.3Å; I303-N330 HydrophobicContact CG2-CB 3.77Å; S304-N330 WeakPolarHBondContact O-CB 3.47Å; S304-N330 PolarHBondContact O-N 3.47Å; N330-K332 PolarHBondContact ND2-O 2.65Å; N330-K332 PolarHBondContact OD1-N 2.78Å; N330-K332 PolarHBondContact OD1-O 3.28Å
331	S	96.9	Very high	93.5	Very high	98 Å²	98	66.4 Å²	66.4	69%	0.685	33%	0.329	S	S	*	.			trans	-112.5	-6.1	174.9	58.8	0	0	0	0	113.4	L329	L329-S331 PolarHBondContact O-N 3.21Å
332	K	97.1	Very high	94.3	Very high	117 Å²	117	66.2 Å²	66.2	51%	0.509	34%	0.335	S	S	.	.	S	Bend	trans	-101.6	116.8	-178.6	-69.6	-178.5	-177.6	178.3	0	110.2	N330 V334	N330-K332 PolarHBondContact ND2-O 2.65Å; N330-K332 PolarHBondContact OD1-N 2.78Å; N330-K332 PolarHBondContact OD1-O 3.28Å; K332-V334 PolarHBondContact O-N 2.99Å
333	F	98.6	Very high	95.3	Very high	115 Å²	115	64.2 Å²	64.2	50%	0.504	32%	0.324	S	S	.	.			trans	-63.6	123.8	177.2	-172.7	-85.6	0	0	0	111.2	P211 D212 E215 P335	P211-F333 WeakPolarHBondContact O-CD2 3.37Å; D212-F333 HydrophobicContact CB-CD2 3.77Å; D212-F333 HydrophobicContact CB-CE2 4.06Å; D212-F333 HydrophobicContact CB-CG 4.22Å; E215-F333 HydrophobicContact CB-CE2 4.06Å; E215-F333 HydrophobicContact CB-CZ 3.8Å; E215-F333 HydrophobicContact CG-CE1 4.19Å; E215-F333 HydrophobicContact CG-CE2 4.42Å; E215-F333 HydrophobicContact CG-CZ 3.72Å; F333-P335 HydrophobicContact CE1-CB 4.18Å
334	V	98.8	Very high	96.2	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.055	32%	0.319	C	S	.	.			trans	-109.4	121.6	173.9	-179.9	0	0	0	0	109.3	D212 E215 P250 A251 K332 F336 L339	D212-V334 PolarHBondContact OD2-N 3.22Å; E215-V334 VanDerWaalsContact CG-O 3.24Å; E215-V334 WeakPolarHBondContact CG-O 3.24Å; P250-V334 HydrophobicContact CB-CG2 3.81Å; P250-V334 HydrophobicContact CG-CG2 3.97Å; A251-V334 HydrophobicContact CB-CG1 3.64Å; A251-V334 HydrophobicContact CB-CG2 4.42Å; K332-V334 PolarHBondContact O-N 2.99Å; V334-F336 HydrophobicContact CB-CD2 3.95Å; V334-F336 HydrophobicContact CB-CE2 3.64Å; V334-F336 HydrophobicContact CB-CZ 3.97Å; V334-F336 HydrophobicContact CG1-CD1 4.02Å; V334-F336 HydrophobicContact CG1-CD2 3.96Å; V334-F336 HydrophobicContact CG1-CE1 3.89Å; V334-F336 HydrophobicContact CG1-CE2 3.85Å; V334-F336 HydrophobicContact CG1-CG 4.05Å; V334-F336 HydrophobicContact CG1-CZ 3.81Å; V334-F336 HydrophobicContact CG2-CE2 4.45Å; V334-F336 HydrophobicContact CG2-CZ 4.49Å; V334-F336 WeakPolarHBondContact O-CD2 3.2Å; V334-F336 PolarHBondContact O-N 2.97Å; V334-L339 HydrophobicContact CG1-CD1 3.83Å
335	P	98.6	Very high	96.9	Very high	47 Å²	47	64 Å²	64	31%	0.305	32%	0.323	S	S	.	.			trans	-79	68.5	179.1	34.2	-36.2	0	0	0	111.4	E215 F333 T337 K338	E215-P335 WeakPolarHBondContact OE1-CA 3.22Å; F333-P335 HydrophobicContact CE1-CB 4.18Å; P335-T337 PolarHBondContact O-N 3.24Å; P335-K338 HydrophobicContact CB-CB 4.44Å; P335-K338 HydrophobicContact CB-CD 4.03Å; P335-K338 HydrophobicContact CB-CG 4.22Å; P335-K338 WeakPolarHBondContact O-CB 3.4Å; P335-K338 PolarHBondContact O-N 3.38Å
336	F	98.8	Very high	97.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-55	-32.4	-175.5	-74.5	-75.4	0	0	0	114.4	E215 Y216 A219 L253 R305 V334 K338 L339 L341	E215-F336 HydrophobicContact CG-CB 4.38Å; E215-F336 PolarHBondContact OE1-N 3.13Å; Y216-F336 HydrophobicContact CD2-CD2 4.13Å; Y216-F336 HydrophobicContact CD2-CE1 4.49Å; Y216-F336 AromaticContact CD2-CE2 3.75Å; Y216-F336 HydrophobicContact CD2-CE2 3.75Å; Y216-F336 AromaticContact CD2-CZ 3.96Å; Y216-F336 HydrophobicContact CD2-CZ 3.96Å; Y216-F336 HydrophobicContact CG-CE2 4.41Å; A219-F336 VanDerWaalsContact CB-C 3.49Å; A219-F336 HydrophobicContact CB-CB 3.41Å; A219-F336 VanDerWaalsContact CB-CB 3.41Å; L253-F336 HydrophobicContact CD1-CD1 4.11Å; L253-F336 HydrophobicContact CD1-CE1 3.78Å; L253-F336 HydrophobicContact CD2-CE1 3.79Å; L253-F336 HydrophobicContact CD2-CZ 3.93Å; L253-F336 HydrophobicContact CG-CE1 3.86Å; L253-F336 HydrophobicContact CG-CZ 4.5Å; R305-F336 VanDerWaalsContact NH2-CE2 3.29Å; V334-F336 HydrophobicContact CB-CD2 3.95Å; V334-F336 HydrophobicContact CB-CE2 3.64Å; V334-F336 HydrophobicContact CB-CZ 3.97Å; V334-F336 HydrophobicContact CG1-CD1 4.02Å; V334-F336 HydrophobicContact CG1-CD2 3.96Å; V334-F336 HydrophobicContact CG1-CE1 3.89Å; V334-F336 HydrophobicContact CG1-CE2 3.85Å; V334-F336 HydrophobicContact CG1-CG 4.05Å; V334-F336 HydrophobicContact CG1-CZ 3.81Å; V334-F336 HydrophobicContact CG2-CE2 4.45Å; V334-F336 HydrophobicContact CG2-CZ 4.49Å; V334-F336 WeakPolarHBondContact O-CD2 3.2Å; V334-F336 PolarHBondContact O-N 2.97Å; F336-K338 PolarHBondContact O-N 3.4Å; F336-K338 VanDerWaalsContact O-N 3.14Å; F336-L339 HydrophobicContact CD1-CD1 3.94Å; F336-L339 HydrophobicContact CE1-CD1 4.43Å; F336-L339 PolarHBondContact O-N 3.35Å; F336-L341 HydrophobicContact CD1-CD2 4.44Å
337	T	98.4	Very high	97.8	Very high	74 Å²	74	61.5 Å²	61.5	45%	0.454	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.2	-14.2	177.2	58.3	0	0	0	0	113.3	E215 R218 A219 P335	E215-T337 VanDerWaalsContact OE1-CB 3.26Å; E215-T337 WeakPolarHBondContact OE1-CB 3.14Å; E215-T337 VanDerWaalsContact OE1-CG2 3.32Å; E215-T337 WeakPolarHBondContact OE1-CG2 3.23Å; E215-T337 PolarHBondContact OE1-N 2.97Å; E215-T337 PolarHBondContact OE1-OG1 3.3Å; R218-T337 HydrophobicContact CB-CG2 4.1Å; R218-T337 HydrophobicContact CG-CG2 3.74Å; A219-T337 HydrophobicContact CB-CG2 3.92Å; P335-T337 PolarHBondContact O-N 3.24Å
338	K	98.4	Very high	97.9	Very high	171 Å²	171	63.2 Å²	63.2	74%	0.743	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-100.5	-2.9	175.6	-54.8	-174.7	-176.2	177.6	0	113.1	P335 F336	P335-K338 HydrophobicContact CB-CB 4.44Å; P335-K338 HydrophobicContact CB-CD 4.03Å; P335-K338 HydrophobicContact CB-CG 4.22Å; P335-K338 WeakPolarHBondContact O-CB 3.4Å; P335-K338 PolarHBondContact O-N 3.38Å; F336-K338 PolarHBondContact O-N 3.4Å; F336-K338 VanDerWaalsContact O-N 3.14Å
339	L	98.4	Very high	98	Very high	71 Å²	71	61 Å²	61	37%	0.372	32%	0.324	S	S	.	.	S	Bend	trans	-95.4	150.6	-179.2	-57	-175.5	0	0	0	110.5	A251 V334 F336 L341	A251-L339 HydrophobicContact CB-CD1 3.94Å; V334-L339 HydrophobicContact CG1-CD1 3.83Å; F336-L339 HydrophobicContact CD1-CD1 3.94Å; F336-L339 HydrophobicContact CE1-CD1 4.43Å; F336-L339 PolarHBondContact O-N 3.35Å; L339-L341 HydrophobicContact CB-CD2 4.08Å; L339-L341 PolarHBondContact O-N 2.83Å
340	D	97.9	Very high	98	Very high	127 Å²	127	63.3 Å²	63.3	68%	0.679	33%	0.331	S	S	*	.			trans	-78.6	113.2	166.4	-175.8	3.6	0	0	0	109.6	A342	D340-A342 WeakPolarHBondContact OD1-CB 3.4Å; D340-A342 PolarHBondContact OD1-N 2.93Å
341	L	98.5	Very high	97.9	Very high	16 Å²	16	67.7 Å²	67.7	8%	0.084	36%	0.358	C	S	.	.			trans	-104.2	7.8	179.7	-56.6	-178.2	0	0	0	112.3	A219 L220 V223 L253 F336 L339 Y343 L344	A219-L341 HydrophobicContact CB-CD1 3.79Å; L220-L341 HydrophobicContact CD2-CD1 3.8Å; L220-L341 HydrophobicContact CG-CD1 4.36Å; V223-L341 HydrophobicContact CG2-CB 4.16Å; L253-L341 HydrophobicContact CD1-CD2 4.33Å; F336-L341 HydrophobicContact CD1-CD2 4.44Å; L339-L341 HydrophobicContact CB-CD2 4.08Å; L339-L341 PolarHBondContact O-N 2.83Å; L341-Y343 HydrophobicContact CD2-CE1 4.22Å; L341-Y343 PolarHBondContact O-N 3.15Å; L341-Y343 VanDerWaalsContact O-N 3.13Å; L341-L344 HydrophobicContact CB-CD1 4.24Å; L341-L344 HydrophobicContact CD2-CD1 4.46Å; L341-L344 WeakPolarHBondContact O-CB 3.48Å; L341-L344 PolarHBondContact O-N 3.31Å
342	A	97	Very high	98	Very high	50 Å²	50	66.7 Å²	66.7	41%	0.413	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.1	179.8	0	0	0	0	0	112.7	D340 L344 Q345	D340-A342 WeakPolarHBondContact OD1-CB 3.4Å; D340-A342 PolarHBondContact OD1-N 2.93Å; A342-L344 PolarHBondContact O-N 3.16Å; A342-L344 VanDerWaalsContact O-N 3.1Å; A342-Q345 WeakPolarHBondContact O-CB 3.45Å; A342-Q345 VanDerWaalsContact O-CG 3.3Å; A342-Q345 WeakPolarHBondContact O-CG 3.24Å; A342-Q345 PolarHBondContact O-N 3.41Å; A342-Q345 VanDerWaalsContact O-N 3.11Å
343	Y	98.2	Very high	98	Very high	83 Å²	83	61.7 Å²	61.7	33%	0.325	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.3	-15.7	175.5	82.6	-90.7	0	0	0	113.8	L253 L341 Y349	L253-Y343 WeakPolarHBondContact CA-OH 3.49Å; L253-Y343 VanDerWaalsContact CB-OH 3.3Å; L253-Y343 WeakPolarHBondContact CB-OH 3.37Å; L253-Y343 PolarHBondContact N-OH 2.7Å; L253-Y343 PolarHBondContact O-OH 2.75Å; L341-Y343 HydrophobicContact CD2-CE1 4.22Å; L341-Y343 PolarHBondContact O-N 3.15Å; L341-Y343 VanDerWaalsContact O-N 3.13Å; Y343-Y349 HydrophobicContact CD2-CD2 4.33Å; Y343-Y349 WeakPolarHBondContact O-CA 3.44Å; Y343-Y349 VanDerWaalsContact O-CB 3.3Å; Y343-Y349 WeakPolarHBondContact O-CB 3.5Å; Y343-Y349 WeakPolarHBondContact O-CD2 3.37Å; Y343-Y349 PolarHBondContact O-N 2.87Å
344	L	98.6	Very high	97.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-85.6	-10.6	178	-65	168.1	0	0	0	113.7	L220 V223 L253 R255 I299 L341 A342 Y349	L220-L344 HydrophobicContact CD2-CD1 3.85Å; V223-L344 HydrophobicContact CG1-CB 4.39Å; L253-L344 HydrophobicContact CB-CD1 3.99Å; L253-L344 HydrophobicContact CB-CD2 4.03Å; L253-L344 HydrophobicContact CD1-CD1 3.83Å; R255-L344 WeakPolarHBondContact CD-O 3.31Å; R255-L344 PolarHBondContact NH1-O 3.34Å; I299-L344 HydrophobicContact CD1-CB 4.27Å; I299-L344 HydrophobicContact CD1-CD1 4.05Å; I299-L344 HydrophobicContact CG2-CD1 4.26Å; L341-L344 HydrophobicContact CB-CD1 4.24Å; L341-L344 HydrophobicContact CD2-CD1 4.46Å; L341-L344 WeakPolarHBondContact O-CB 3.48Å; L341-L344 PolarHBondContact O-N 3.31Å; A342-L344 PolarHBondContact O-N 3.16Å; A342-L344 VanDerWaalsContact O-N 3.1Å; L344-Y349 HydrophobicContact CD2-CD2 4.08Å; L344-Y349 HydrophobicContact CD2-CE2 4.1Å
345	Q	98.2	Very high	97.9	Very high	61 Å²	61	66 Å²	66	29%	0.285	35%	0.351	S	S	.	.	S	Bend	trans	-61.7	135.1	173.4	-65.2	-68.5	-24.7	0	0	109.7	S226 A342 D347 A348 Y349	S226-Q345 PolarHBondContact OG-NE2 3.24Å; S226-Q345 VanDerWaalsContact OG-NE2 3.11Å; A342-Q345 WeakPolarHBondContact O-CB 3.45Å; A342-Q345 VanDerWaalsContact O-CG 3.3Å; A342-Q345 WeakPolarHBondContact O-CG 3.24Å; A342-Q345 PolarHBondContact O-N 3.41Å; A342-Q345 VanDerWaalsContact O-N 3.11Å; Q345-D347 PolarHBondContact O-N 3.07Å; Q345-A348 PolarHBondContact O-N 2.87Å; Q345-A348 VanDerWaalsContact O-N 3.13Å; Q345-Y349 WeakPolarHBondContact O-CB 3.19Å; Q345-Y349 PolarHBondContact O-N 3.4Å
346	E	97.3	Very high	97.8	Very high	34 Å²	34	67.9 Å²	67.9	16%	0.159	36%	0.356	C	S	.	.	H	α-helix	trans	-50.3	-48.5	-167.6	174	57.7	-154.1	0	0	114.8	D227 S229 R255 A348 Y349 R350 Y411	D227-E346 PolarHBondContact OD2-N 3.15Å; S229-E346 VanDerWaalsContact OG-CB 3.27Å; S229-E346 WeakPolarHBondContact OG-CB 3.23Å; R255-E346 IonicContact CZ-OE2 3.57Å; R255-E346 IonicContact NE-OE2 3.72Å; R255-E346 PolarHBondContact NE-OE2 3.19Å; R255-E346 IonicContact NH2-OE2 3.64Å; R255-E346 PolarHBondContact NH2-OE2 3.01Å; E346-A348 PolarHBondContact O-N 2.76Å; E346-Y349 PolarHBondContact O-N 2.95Å; E346-R350 WeakPolarHBondContact O-CB 3.29Å; E346-R350 PolarHBondContact O-N 3.33Å; E346-R350 IonicContact OE1-NH1 3.48Å; E346-R350 PolarHBondContact OE1-NH1 3.23Å; E346-R350 VanDerWaalsContact OE1-NH1 3.16Å; E346-Y411 VanDerWaalsContact CD-OH 3.25Å; E346-Y411 PolarHBondContact OE1-OH 3.21Å; E346-Y411 PolarHBondContact OE2-OH 3.2Å
347	D	96.6	Very high	97.8	Very high	108 Å²	108	67.9 Å²	67.9	58%	0.578	36%	0.356	S	S	*	.	H	α-helix	trans	-67.1	-40.8	-177.4	-71.8	-31.2	0	0	0	112.6	Q345 R350 T351	Q345-D347 PolarHBondContact O-N 3.07Å; D347-R350 IonicContact OD1-CZ 2.8Å; D347-R350 IonicContact OD1-NH1 2.82Å; D347-R350 IonicContact OD1-NH2 3.38Å; D347-R350 PolarHBondContact OD1-NH2 2.8Å; D347-T351 WeakPolarHBondContact O-CB 3.19Å; D347-T351 PolarHBondContact O-N 2.97Å; D347-T351 PolarHBondContact O-OG1 2.6Å
348	A	97.8	Very high	97.7	Very high	50 Å²	50	67.1 Å²	67.1	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-47.5	176.8	0	0	0	0	0	111.1	Q345 E346 S352	Q345-A348 PolarHBondContact O-N 2.87Å; Q345-A348 VanDerWaalsContact O-N 3.13Å; E346-A348 PolarHBondContact O-N 2.76Å; A348-S352 WeakPolarHBondContact O-CB 3.48Å; A348-S352 PolarHBondContact O-N 2.85Å
349	Y	98.6	Very high	97.7	Very high	11 Å²	11	63.3 Å²	63.3	4%	0.043	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-51.5	179.9	-169.3	-88	0	0	0	111	Y254 R255 Y343 L344 Q345 E346 T351 S352 F353 Y411	Y254-Y349 WeakPolarHBondContact CA-OH 3.17Å; Y254-Y349 WeakPolarHBondContact CB-OH 3.41Å; Y254-Y349 WeakPolarHBondContact CD1-OH 3.22Å; R255-Y349 HydrophobicContact CB-CD1 3.98Å; R255-Y349 HydrophobicContact CB-CE1 3.7Å; R255-Y349 HydrophobicContact CB-CG 4.48Å; R255-Y349 HydrophobicContact CG-CD1 3.79Å; R255-Y349 HydrophobicContact CG-CD2 4.03Å; R255-Y349 HydrophobicContact CG-CE1 3.94Å; R255-Y349 HydrophobicContact CG-CE2 4.19Å; R255-Y349 HydrophobicContact CG-CG 3.81Å; R255-Y349 VanDerWaalsContact N-CZ 3.3Å; R255-Y349 PolarHBondContact N-OH 3.08Å; R255-Y349 VanDerWaalsContact N-OH 3.12Å; Y343-Y349 HydrophobicContact CD2-CD2 4.33Å; Y343-Y349 WeakPolarHBondContact O-CA 3.44Å; Y343-Y349 VanDerWaalsContact O-CB 3.3Å; Y343-Y349 WeakPolarHBondContact O-CB 3.5Å; Y343-Y349 WeakPolarHBondContact O-CD2 3.37Å; Y343-Y349 PolarHBondContact O-N 2.87Å; L344-Y349 HydrophobicContact CD2-CD2 4.08Å; L344-Y349 HydrophobicContact CD2-CE2 4.1Å; Q345-Y349 WeakPolarHBondContact O-CB 3.19Å; Q345-Y349 PolarHBondContact O-N 3.4Å; E346-Y349 PolarHBondContact O-N 2.95Å; Y349-T351 VanDerWaalsContact C-N 3.32Å; Y349-T351 PolarHBondContact O-N 3.01Å; Y349-S352 PolarHBondContact O-N 3.18Å; Y349-F353 HydrophobicContact CD1-CB 4Å; Y349-F353 HydrophobicContact CD1-CG 4.44Å; Y349-F353 HydrophobicContact CE1-CB 3.82Å; Y349-F353 HydrophobicContact CE1-CD1 4.18Å; Y349-F353 HydrophobicContact CE1-CD2 4.12Å; Y349-F353 AromaticContact CE1-CG 3.78Å; Y349-F353 HydrophobicContact CE1-CG 3.78Å; Y349-F353 WeakPolarHBondContact O-CA 3.41Å; Y349-F353 WeakPolarHBondContact O-CB 3.33Å; Y349-F353 PolarHBondContact O-N 3.33Å; Y349-Y411 HydrophobicContact CD1-CD1 4.28Å; Y349-Y411 AromaticContact CD1-CE1 3.7Å; Y349-Y411 HydrophobicContact CD1-CE1 3.7Å; Y349-Y411 AromaticContact CD1-CZ 3.95Å; Y349-Y411 AromaticContact CE1-CD1 3.74Å; Y349-Y411 HydrophobicContact CE1-CD1 3.74Å; Y349-Y411 AromaticContact CE1-CE1 3.64Å; Y349-Y411 HydrophobicContact CE1-CE1 3.64Å; Y349-Y411 HydrophobicContact CE1-CG 4.34Å
350	R	96.7	Very high	97.6	Very high	83 Å²	83	60.4 Å²	60.4	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-57.3	-46.9	-178.8	-178.2	177.5	66	-129.2	-2.3	111	E346 D347 T354	E346-R350 WeakPolarHBondContact O-CB 3.29Å; E346-R350 PolarHBondContact O-N 3.33Å; E346-R350 IonicContact OE1-NH1 3.48Å; E346-R350 PolarHBondContact OE1-NH1 3.23Å; E346-R350 VanDerWaalsContact OE1-NH1 3.16Å; D347-R350 IonicContact OD1-CZ 2.8Å; D347-R350 IonicContact OD1-NH1 2.82Å; D347-R350 IonicContact OD1-NH2 3.38Å; D347-R350 PolarHBondContact OD1-NH2 2.8Å; R350-T354 WeakPolarHBondContact O-CB 3.07Å; R350-T354 PolarHBondContact O-N 3.23Å; R350-T354 PolarHBondContact O-OG1 3.46Å
351	T	97.3	Very high	97.6	Very high	96 Å²	96	57 Å²	57	59%	0.589	32%	0.316	S	S	*	.	H	α-helix	trans	-63.1	-52.2	-179.9	-56.6	0	0	0	0	111.3	D347 Y349 K355	D347-T351 WeakPolarHBondContact O-CB 3.19Å; D347-T351 PolarHBondContact O-N 2.97Å; D347-T351 PolarHBondContact O-OG1 2.6Å; Y349-T351 VanDerWaalsContact C-N 3.32Å; Y349-T351 PolarHBondContact O-N 3.01Å; T351-K355 WeakPolarHBondContact O-CB 3.32Å; T351-K355 PolarHBondContact O-N 2.9Å; T351-K355 VanDerWaalsContact O-N 3.12Å
352	S	97.6	Very high	97.5	Very high	78 Å²	78	60.5 Å²	60.5	55%	0.545	34%	0.338	S	S	.	.	H	α-helix	trans	-65.6	-47.9	-177.8	-172.8	0	0	0	0	112.2	A348 Y349 K355 Q356	A348-S352 WeakPolarHBondContact O-CB 3.48Å; A348-S352 PolarHBondContact O-N 2.85Å; Y349-S352 PolarHBondContact O-N 3.18Å; S352-K355 PolarHBondContact O-N 3.16Å; S352-Q356 WeakPolarHBondContact O-CB 3.28Å; S352-Q356 PolarHBondContact O-N 2.86Å
353	F	97.9	Very high	97.5	Very high	11 Å²	11	59.2 Å²	59.2	5%	0.048	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-43.4	-178.5	-174	-103.7	0	0	0	111.8	Y254 Y349 K355 Q356 V357 Y411 V414 S416 Y425	Y254-F353 HydrophobicContact CD1-CE2 4.5Å; Y349-F353 HydrophobicContact CD1-CB 4Å; Y349-F353 HydrophobicContact CD1-CG 4.44Å; Y349-F353 HydrophobicContact CE1-CB 3.82Å; Y349-F353 HydrophobicContact CE1-CD1 4.18Å; Y349-F353 HydrophobicContact CE1-CD2 4.12Å; Y349-F353 AromaticContact CE1-CG 3.78Å; Y349-F353 HydrophobicContact CE1-CG 3.78Å; Y349-F353 WeakPolarHBondContact O-CA 3.41Å; Y349-F353 WeakPolarHBondContact O-CB 3.33Å; Y349-F353 PolarHBondContact O-N 3.33Å; F353-K355 VanDerWaalsContact C-N 3.34Å; F353-K355 PolarHBondContact O-N 3.37Å; F353-Q356 PolarHBondContact O-N 3.18Å; F353-V357 HydrophobicContact CD1-CG2 4.08Å; F353-V357 HydrophobicContact CD2-CG2 4.32Å; F353-V357 HydrophobicContact CE1-CG2 3.74Å; F353-V357 HydrophobicContact CE2-CG2 4Å; F353-V357 HydrophobicContact CG-CG2 4.36Å; F353-V357 HydrophobicContact CZ-CG2 3.69Å; F353-V357 WeakPolarHBondContact O-CB 3.45Å; F353-V357 VanDerWaalsContact O-CG2 3.26Å; F353-V357 WeakPolarHBondContact O-CG2 3.23Å; F353-V357 PolarHBondContact O-N 2.96Å; F353-Y411 AromaticContact CD1-CD1 3.74Å; F353-Y411 HydrophobicContact CD1-CD1 3.74Å; F353-Y411 HydrophobicContact CD1-CE1 4.13Å; F353-Y411 AromaticContact CE1-CD1 3.84Å; F353-Y411 HydrophobicContact CE1-CD1 3.84Å; F353-V414 HydrophobicContact CE1-CB 3.99Å; F353-V414 HydrophobicContact CE1-CG1 4.18Å; F353-V414 HydrophobicContact CE1-CG2 4.29Å; F353-V414 HydrophobicContact CZ-CB 4.18Å; F353-V414 HydrophobicContact CZ-CG1 3.95Å; F353-S416 WeakPolarHBondContact CZ-OG 3.43Å; F353-Y425 HydrophobicContact CE2-CE1 4.25Å
354	T	97.1	Very high	97.4	Very high	54 Å²	54	58.4 Å²	58.4	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-46.2	176.2	-59.1	0	0	0	0	110.6	R350 Q356 V357 Y358	R350-T354 WeakPolarHBondContact O-CB 3.07Å; R350-T354 PolarHBondContact O-N 3.23Å; R350-T354 PolarHBondContact O-OG1 3.46Å; T354-Q356 PolarHBondContact O-N 3.43Å; T354-V357 PolarHBondContact O-N 3.27Å; T354-Y358 HydrophobicContact CG2-CD2 3.76Å; T354-Y358 HydrophobicContact CG2-CE2 4.26Å; T354-Y358 WeakPolarHBondContact O-CB 3.31Å; T354-Y358 WeakPolarHBondContact O-CD2 3.4Å; T354-Y358 PolarHBondContact O-N 3.09Å
355	K	97.2	Very high	97.3	Very high	160 Å²	160	60.4 Å²	60.4	70%	0.696	34%	0.337	S	S	*	.	H	α-helix	trans	-58	-51	175.7	-176.4	178.4	179.2	-180	0	110.6	T351 S352 F353 V357 Y358 S359	T351-K355 WeakPolarHBondContact O-CB 3.32Å; T351-K355 PolarHBondContact O-N 2.9Å; T351-K355 VanDerWaalsContact O-N 3.12Å; S352-K355 PolarHBondContact O-N 3.16Å; F353-K355 VanDerWaalsContact C-N 3.34Å; F353-K355 PolarHBondContact O-N 3.37Å; K355-V357 PolarHBondContact O-N 3.38Å; K355-Y358 PolarHBondContact O-N 3.12Å; K355-S359 WeakPolarHBondContact O-CB 3.44Å; K355-S359 PolarHBondContact O-N 3.48Å; K355-S359 PolarHBondContact O-OG 2.92Å
356	Q	97	Very high	97.1	Very high	88 Å²	88	62.2 Å²	62.2	41%	0.411	35%	0.345	S	S	.	.	H	α-helix	trans	-59.6	-42.5	-178.8	-170.9	-177.1	21.6	0	0	113.1	S352 F353 T354 P378 Y425	S352-Q356 WeakPolarHBondContact O-CB 3.28Å; S352-Q356 PolarHBondContact O-N 2.86Å; F353-Q356 PolarHBondContact O-N 3.18Å; T354-Q356 PolarHBondContact O-N 3.43Å; Q356-P378 HydrophobicContact CG-CG 4.47Å; Q356-Y425 HydrophobicContact CG-CE2 4.24Å; Q356-Y425 PolarHBondContact NE2-OH 3.36Å; Q356-Y425 VanDerWaalsContact NE2-OH 3.15Å; Q356-Y425 PolarHBondContact OE1-OH 2.95Å
357	V	98.2	Very high	97	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-70.4	-51.6	-179.6	171.4	0	0	0	0	110.6	F353 T354 K355 A360 R380 V414 Y425 A427	F353-V357 HydrophobicContact CD1-CG2 4.08Å; F353-V357 HydrophobicContact CD2-CG2 4.32Å; F353-V357 HydrophobicContact CE1-CG2 3.74Å; F353-V357 HydrophobicContact CE2-CG2 4Å; F353-V357 HydrophobicContact CG-CG2 4.36Å; F353-V357 HydrophobicContact CZ-CG2 3.69Å; F353-V357 WeakPolarHBondContact O-CB 3.45Å; F353-V357 VanDerWaalsContact O-CG2 3.26Å; F353-V357 WeakPolarHBondContact O-CG2 3.23Å; F353-V357 PolarHBondContact O-N 2.96Å; T354-V357 PolarHBondContact O-N 3.27Å; K355-V357 PolarHBondContact O-N 3.38Å; V357-A360 VanDerWaalsContact O-CB 3.31Å; V357-A360 WeakPolarHBondContact O-CB 3.46Å; V357-A360 PolarHBondContact O-N 3.4Å; V357-R380 WeakPolarHBondContact O-CD 3.48Å; V357-V414 HydrophobicContact CG1-CG1 4.12Å; V357-V414 HydrophobicContact CG1-CG2 4.06Å; V357-V414 HydrophobicContact CG2-CG1 4Å; V357-Y425 HydrophobicContact CB-CD2 4.27Å; V357-Y425 HydrophobicContact CB-CG 4.44Å; V357-Y425 HydrophobicContact CG1-CD2 4.42Å; V357-Y425 HydrophobicContact CG1-CG 4.3Å; V357-Y425 HydrophobicContact CG2-CD1 3.94Å; V357-Y425 HydrophobicContact CG2-CD2 3.95Å; V357-Y425 HydrophobicContact CG2-CE1 4.16Å; V357-Y425 HydrophobicContact CG2-CE2 4.13Å; V357-Y425 HydrophobicContact CG2-CG 3.86Å; V357-A427 HydrophobicContact CG1-CB 3.98Å
358	Y	97.8	Very high	96.9	Very high	57 Å²	57	57.7 Å²	57.7	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-85.5	-12.6	-170.3	-69.8	-73.9	0	0	0	114.1	T354 K355 P428 P429 P430	T354-Y358 HydrophobicContact CG2-CD2 3.76Å; T354-Y358 HydrophobicContact CG2-CE2 4.26Å; T354-Y358 WeakPolarHBondContact O-CB 3.31Å; T354-Y358 WeakPolarHBondContact O-CD2 3.4Å; T354-Y358 PolarHBondContact O-N 3.09Å; K355-Y358 PolarHBondContact O-N 3.12Å; Y358-P428 WeakPolarHBondContact CE1-O 3.42Å; Y358-P428 PolarHBondContact OH-O 2.68Å; Y358-P428 VanDerWaalsContact OH-O 3.08Å; Y358-P429 PolarHBondContact OH-O 2.73Å; Y358-P430 HydrophobicContact CD1-CB 4.22Å; Y358-P430 HydrophobicContact CD1-CG 3.76Å; Y358-P430 HydrophobicContact CE1-CB 4.27Å; Y358-P430 HydrophobicContact CE1-CG 3.96Å
359	S	96.9	Very high	96.7	Very high	91 Å²	91	59.6 Å²	59.6	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.4	165.7	79.4	0	0	0	0	113.7	K355	K355-S359 WeakPolarHBondContact O-CB 3.44Å; K355-S359 PolarHBondContact O-N 3.48Å; K355-S359 PolarHBondContact O-OG 2.92Å
360	A	97.8	Very high	96.4	Very high	10 Å²	10	63.5 Å²	63.5	8%	0.083	34%	0.34	C	S	.	.	S	Bend	trans	-68.4	148.1	178.1	0	0	0	0	0	111.3	V357 V362 P378 R380 Y425	V357-A360 VanDerWaalsContact O-CB 3.31Å; V357-A360 WeakPolarHBondContact O-CB 3.46Å; V357-A360 PolarHBondContact O-N 3.4Å; A360-V362 PolarHBondContact O-N 3.09Å; A360-P378 HydrophobicContact CB-CB 4.45Å; A360-P378 HydrophobicContact CB-CG 4.15Å; A360-R380 HydrophobicContact CB-CB 4.15Å; A360-Y425 HydrophobicContact CB-CD2 4.31Å
361	A	96.9	Very high	96	Very high	56 Å²	56	61.6 Å²	61.6	46%	0.463	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	126.1	177.9	0	0	0	0	0	110.4	F379 R380	A361-F379 HydrophobicContact CB-CD1 4.05Å; A361-F379 HydrophobicContact CB-CE1 4.45Å; A361-F379 WeakPolarHBondContact O-CA 3.38Å; A361-R380 PolarHBondContact O-N 3Å
362	V	97.3	Very high	95.8	Very high	89 Å²	89	64.9 Å²	64.9	54%	0.539	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.1	177.1	-175	0	0	0	0	108.8	A360 R380	A360-V362 PolarHBondContact O-N 3.09Å; V362-R380 WeakPolarHBondContact CA-O 3.46Å
363	V	97.4	Very high	95.6	Very high	23 Å²	23	62.3 Å²	62.3	14%	0.139	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.8	-176.8	-63.2	0	0	0	0	111	V368 L373 F379 R380 L381	V363-V368 HydrophobicContact CB-CG2 4.47Å; V363-V368 HydrophobicContact CG2-CG2 3.5Å; V363-L373 HydrophobicContact CB-CD2 3.93Å; V363-L373 HydrophobicContact CG1-CD2 3.79Å; V363-L373 HydrophobicContact CG2-CD2 4.06Å; V363-F379 HydrophobicContact CG1-CB 4.09Å; V363-F379 HydrophobicContact CG1-CD1 3.55Å; V363-F379 HydrophobicContact CG1-CE1 4.36Å; V363-F379 HydrophobicContact CG1-CG 4.12Å; V363-F379 HydrophobicContact CG2-CB 3.83Å; V363-R380 PolarHBondContact N-O 2.84Å; V363-L381 WeakPolarHBondContact O-CD1 3.48Å
364	T	96.1	Very high	95.2	Very high	67 Å²	67	67 Å²	67	41%	0.411	36%	0.362	S	S	.	.			trans	-81.1	159.7	175.3	70.8	0	0	0	0	111.1	E366 D367 V368	T364-E366 VanDerWaalsContact C-N 3.27Å; T364-E366 PolarHBondContact O-N 3.28Å; T364-D367 PolarHBondContact O-N 2.66Å; T364-D367 PolarHBondContact OG1-N 3.4Å; T364-D367 VanDerWaalsContact OG1-N 3.13Å; T364-D367 PolarHBondContact OG1-OD2 3.01Å; T364-V368 WeakPolarHBondContact O-CG2 3.45Å; T364-V368 PolarHBondContact O-N 2.87Å
365	Y	95.2	Very high	94.8	Very high	41 Å²	41	66.8 Å²	66.8	16%	0.161	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-38.1	174.9	158.5	-102.1	0	0	0	111.3	D367 V368 K369 M392 S395 L396	Y365-D367 PolarHBondContact O-N 3.17Å; Y365-V368 PolarHBondContact O-N 3.33Å; Y365-K369 HydrophobicContact CE1-CD 4.06Å; Y365-K369 HydrophobicContact CE2-CB 4.32Å; Y365-K369 HydrophobicContact CE2-CD 4.04Å; Y365-K369 VanDerWaalsContact CZ-CD 3.49Å; Y365-K369 WeakPolarHBondContact O-CB 3.44Å; Y365-K369 PolarHBondContact O-N 3.01Å; Y365-K369 WeakPolarHBondContact OH-CD 3.39Å; Y365-K369 PolarHBondContact OH-NZ 3.17Å; Y365-M392 HydrophobicContact CD2-CG 4.05Å; Y365-M392 HydrophobicContact CG-CG 4.35Å; Y365-S395 WeakPolarHBondContact OH-CB 3.35Å; Y365-S395 PolarHBondContact OH-OG 2.97Å; Y365-L396 HydrophobicContact CD2-CD1 4.49Å; Y365-L396 HydrophobicContact CD2-CD2 4.3Å; Y365-L396 HydrophobicContact CD2-CG 4.29Å; Y365-L396 HydrophobicContact CE2-CD2 4.08Å; Y365-L396 HydrophobicContact CE2-CG 4.1Å
366	E	95.1	Very high	94.3	Very high	99 Å²	99	64.1 Å²	64.1	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-58.8	-46.1	176.9	-71	66.6	-150.5	0	0	111.1	T364 V368 K369 Q370	T364-E366 VanDerWaalsContact C-N 3.27Å; T364-E366 PolarHBondContact O-N 3.28Å; E366-V368 PolarHBondContact O-N 2.82Å; E366-K369 PolarHBondContact O-N 3.13Å; E366-Q370 VanDerWaalsContact O-CB 3.25Å; E366-Q370 WeakPolarHBondContact O-CB 3.23Å; E366-Q370 WeakPolarHBondContact O-CG 3.2Å; E366-Q370 PolarHBondContact O-N 3.33Å
367	D	94.8	Very high	94	Very high	48 Å²	48	61.3 Å²	61.3	26%	0.257	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-43.3	179.2	-63.7	-38.4	0	0	0	111.7	T364 Y365 G371 R372 L373	T364-D367 PolarHBondContact O-N 2.66Å; T364-D367 PolarHBondContact OG1-N 3.4Å; T364-D367 VanDerWaalsContact OG1-N 3.13Å; T364-D367 PolarHBondContact OG1-OD2 3.01Å; Y365-D367 PolarHBondContact O-N 3.17Å; D367-G371 WeakPolarHBondContact O-CA 3.42Å; D367-G371 PolarHBondContact O-N 3.17Å; D367-R372 HydrophobicContact CB-CB 4.45Å; D367-R372 PolarHBondContact O-N 2.88Å; D367-L373 HydrophobicContact CB-CD2 3.97Å
368	V	94.6	Very high	93.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-50.9	176.9	178.2	0	0	0	0	110.5	V363 T364 Y365 E366 Q370 G371 L373 L396 Y419 I424	V363-V368 HydrophobicContact CB-CG2 4.47Å; V363-V368 HydrophobicContact CG2-CG2 3.5Å; T364-V368 WeakPolarHBondContact O-CG2 3.45Å; T364-V368 PolarHBondContact O-N 2.87Å; Y365-V368 PolarHBondContact O-N 3.33Å; E366-V368 PolarHBondContact O-N 2.82Å; V368-Q370 PolarHBondContact O-N 3.25Å; V368-G371 PolarHBondContact O-N 3.08Å; V368-L373 HydrophobicContact CG2-CD1 4.34Å; V368-L373 HydrophobicContact CG2-CD2 4.14Å; V368-L396 HydrophobicContact CG1-CD1 4.18Å; V368-L396 HydrophobicContact CG1-CD2 3.86Å; V368-Y419 HydrophobicContact CG1-CD1 3.88Å; V368-Y419 HydrophobicContact CG1-CE1 4.31Å; V368-Y419 HydrophobicContact CG1-CG 4.47Å; V368-Y419 VanDerWaalsContact O-CE1 3.3Å; V368-Y419 WeakPolarHBondContact O-CE1 3.34Å; V368-I424 HydrophobicContact CG1-CD1 4.2Å; V368-I424 HydrophobicContact CG1-CG1 4.22Å; V368-I424 HydrophobicContact CG2-CD1 4.33Å
369	K	93.6	Very high	93.9	Very high	89 Å²	89	61 Å²	61	39%	0.387	37%	0.37	S	S	.	.	H	α-helix	trans	-65.7	-38.4	-175.7	-178.6	168.6	-178.2	179.6	0	112.6	Y365 E366 L396 R420	Y365-K369 HydrophobicContact CE1-CD 4.06Å; Y365-K369 HydrophobicContact CE2-CB 4.32Å; Y365-K369 HydrophobicContact CE2-CD 4.04Å; Y365-K369 VanDerWaalsContact CZ-CD 3.49Å; Y365-K369 WeakPolarHBondContact O-CB 3.44Å; Y365-K369 PolarHBondContact O-N 3.01Å; Y365-K369 WeakPolarHBondContact OH-CD 3.39Å; Y365-K369 PolarHBondContact OH-NZ 3.17Å; E366-K369 PolarHBondContact O-N 3.13Å; K369-L396 HydrophobicContact CB-CD2 4.31Å; K369-R420 PolarHBondContact O-NH1 3.04Å; K369-R420 PolarHBondContact O-NH2 3.06Å
370	Q	92.4	Very high	93.9	Very high	94 Å²	94	57.6 Å²	57.6	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-87.2	-10.5	-178.1	-63.9	170.8	-1.3	0	0	112.2	E366 V368 R372 R420	E366-Q370 VanDerWaalsContact O-CB 3.25Å; E366-Q370 WeakPolarHBondContact O-CB 3.23Å; E366-Q370 WeakPolarHBondContact O-CG 3.2Å; E366-Q370 PolarHBondContact O-N 3.33Å; V368-Q370 PolarHBondContact O-N 3.25Å; Q370-R372 HydrophobicContact CB-CG 4.09Å; Q370-R372 VanDerWaalsContact OE1-NH1 3.1Å; Q370-R420 VanDerWaalsContact C-NH1 3.31Å; Q370-R420 PolarHBondContact O-NH1 3.15Å
371	G	88.7	Confident	94	Very high	43 Å²	43	57.3 Å²	57.3	44%	0.443	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	30.7	179.4	0	0	0	0	0	113.2	D367 V368 L373	D367-G371 WeakPolarHBondContact O-CA 3.42Å; D367-G371 PolarHBondContact O-N 3.17Å; V368-G371 PolarHBondContact O-N 3.08Å; G371-L373 PolarHBondContact O-N 3.37Å
372	R	91.8	Very high	94	Very high	164 Å²	164	57.9 Å²	57.9	62%	0.619	33%	0.334	S	S	*	.			trans	-89.5	27.2	179.6	-59.7	-179.4	-177.1	168.8	1	112.6	D367 Q370	D367-R372 HydrophobicContact CB-CB 4.45Å; D367-R372 PolarHBondContact O-N 2.88Å; Q370-R372 HydrophobicContact CB-CG 4.09Å; Q370-R372 VanDerWaalsContact OE1-NH1 3.1Å
373	L	93.4	Very high	94	Very high	25 Å²	25	54 Å²	54	13%	0.131	31%	0.31	C	S	.	.			trans	-84.4	123.2	-176.4	-59.2	177.1	0	0	0	110.7	V363 D367 V368 G371 F379 R422 I424	V363-L373 HydrophobicContact CB-CD2 3.93Å; V363-L373 HydrophobicContact CG1-CD2 3.79Å; V363-L373 HydrophobicContact CG2-CD2 4.06Å; D367-L373 HydrophobicContact CB-CD2 3.97Å; V368-L373 HydrophobicContact CG2-CD1 4.34Å; V368-L373 HydrophobicContact CG2-CD2 4.14Å; G371-L373 PolarHBondContact O-N 3.37Å; L373-F379 HydrophobicContact CB-CD2 4.38Å; L373-F379 HydrophobicContact CB-CE1 4.38Å; L373-F379 HydrophobicContact CB-CE2 3.84Å; L373-F379 HydrophobicContact CB-CZ 3.85Å; L373-F379 HydrophobicContact CD1-CD2 3.8Å; L373-F379 HydrophobicContact CD1-CE2 4.02Å; L373-F379 HydrophobicContact CD1-CG 4.33Å; L373-F379 HydrophobicContact CD2-CD1 4.41Å; L373-F379 HydrophobicContact CD2-CG 4.36Å; L373-F379 HydrophobicContact CG-CD2 4.48Å; L373-F379 HydrophobicContact CG-CE2 4.43Å; L373-R422 HydrophobicContact CD1-CB 4.31Å; L373-R422 HydrophobicContact CD1-CG 4.36Å; L373-I424 HydrophobicContact CD1-CD1 3.71Å
374	S	88.9	Confident	93.9	Very high	109 Å²	109	57.2 Å²	57.2	76%	0.762	33%	0.333	S	S	*	.			trans	-91	131	178.3	-63.5	0	0	0	0	111.8	F379	S374-F379 WeakPolarHBondContact O-CE1 3.34Å; S374-F379 VanDerWaalsContact O-CZ 3.24Å; S374-F379 WeakPolarHBondContact O-CZ 3.09Å
375	G	89.7	Confident	93.9	Very high	50 Å²	50	56.4 Å²	56.4	52%	0.515	33%	0.33	S	S	.	.	S	Bend	trans	90.1	-176.2	-179.7	0	0	0	0	0	114.1	R422	G375-R422 PolarHBondContact O-NE 2.82Å; G375-R422 PolarHBondContact O-NH2 2.96Å
376	S	86.4	Confident	94	Very high	104 Å²	104	57.3 Å²	57.3	73%	0.727	34%	0.335	S	S	*	.	S	Bend	trans	-82.5	-15.2	-176.6	48.7	0	0	0	0	114	R422	S376-R422 WeakPolarHBondContact O-CD 3.35Å
377	G	90.3	Very high	94	Very high	29 Å²	29	57.6 Å²	57.6	30%	0.299	34%	0.339	S	S	.	.			trans	81.2	-168	-172.2	0	0	0	0	0	112.7
378	P	96.1	Very high	94.1	Very high	40 Å²	40	56.9 Å²	56.9	26%	0.26	34%	0.338	S	S	.	.			cis	-71.7	163	5.4	31.3	-36.7	0	0	0	113.5	Q356 A360 R423 Y425	Q356-P378 HydrophobicContact CG-CG 4.47Å; A360-P378 HydrophobicContact CB-CB 4.45Å; A360-P378 HydrophobicContact CB-CG 4.15Å; P378-R423 WeakPolarHBondContact CA-O 3.29Å; P378-R423 HydrophobicContact CB-CB 3.99Å; P378-R423 HydrophobicContact CB-CG 3.87Å; P378-Y425 HydrophobicContact CB-CD2 4.11Å; P378-Y425 HydrophobicContact CB-CE2 3.47Å; P378-Y425 VanDerWaalsContact CB-CE2 3.47Å; P378-Y425 HydrophobicContact CG-CE2 3.85Å
379	F	98	Very high	94.3	Very high	10 Å²	10	56.9 Å²	56.9	4%	0.044	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.9	175.3	-56	-82.4	0	0	0	111.1	A361 V363 L373 S374 R422 R423 I424 Y425	A361-F379 HydrophobicContact CB-CD1 4.05Å; A361-F379 HydrophobicContact CB-CE1 4.45Å; A361-F379 WeakPolarHBondContact O-CA 3.38Å; V363-F379 HydrophobicContact CG1-CB 4.09Å; V363-F379 HydrophobicContact CG1-CD1 3.55Å; V363-F379 HydrophobicContact CG1-CE1 4.36Å; V363-F379 HydrophobicContact CG1-CG 4.12Å; V363-F379 HydrophobicContact CG2-CB 3.83Å; L373-F379 HydrophobicContact CB-CD2 4.38Å; L373-F379 HydrophobicContact CB-CE1 4.38Å; L373-F379 HydrophobicContact CB-CE2 3.84Å; L373-F379 HydrophobicContact CB-CZ 3.85Å; L373-F379 HydrophobicContact CD1-CD2 3.8Å; L373-F379 HydrophobicContact CD1-CE2 4.02Å; L373-F379 HydrophobicContact CD1-CG 4.33Å; L373-F379 HydrophobicContact CD2-CD1 4.41Å; L373-F379 HydrophobicContact CD2-CG 4.36Å; L373-F379 HydrophobicContact CG-CD2 4.48Å; L373-F379 HydrophobicContact CG-CE2 4.43Å; S374-F379 WeakPolarHBondContact O-CE1 3.34Å; S374-F379 VanDerWaalsContact O-CZ 3.24Å; S374-F379 WeakPolarHBondContact O-CZ 3.09Å; F379-R422 HydrophobicContact CD2-CB 4.27Å; F379-R422 HydrophobicContact CE2-CB 4.18Å; F379-R422 HydrophobicContact CE2-CG 4.11Å; F379-R423 PolarHBondContact N-O 3.21Å; F379-I424 HydrophobicContact CB-CD1 4.07Å; F379-I424 HydrophobicContact CD2-CD1 4.13Å; F379-I424 WeakPolarHBondContact O-CA 3.11Å; F379-Y425 PolarHBondContact O-N 2.55Å
380	R	98.2	Very high	94.5	Very high	19 Å²	19	55.1 Å²	55.1	7%	0.072	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.9	175.7	-176.7	167.9	60.6	89.2	-4.8	110.6	V357 A360 A361 V362 V363 Y425 A427	V357-R380 WeakPolarHBondContact O-CD 3.48Å; A360-R380 HydrophobicContact CB-CB 4.15Å; A361-R380 PolarHBondContact O-N 3Å; V362-R380 WeakPolarHBondContact CA-O 3.46Å; V363-R380 PolarHBondContact N-O 2.84Å; R380-Y425 CarbonylContact C-O 3.59Å; R380-Y425 WeakPolarHBondContact CA-O 3.04Å; R380-A427 HydrophobicContact CG-CB 3.94Å
381	L	98	Very high	94.7	Very high	4 Å²	4	55 Å²	55	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.9	169.4	179.2	60.5	0	0	0	108.1	V363 M392 L396 I424 Y425 L426 A427	V363-L381 WeakPolarHBondContact O-CD1 3.48Å; L381-M392 HydrophobicContact CD1-SD 3.9Å; L381-M392 HydrophobicContact CD2-CG 4.48Å; L381-M392 HydrophobicContact CD2-SD 3.76Å; L381-M392 HydrophobicContact CG-SD 3.73Å; L381-L396 HydrophobicContact CD2-CD1 3.61Å; L381-I424 HydrophobicContact CB-CG2 4.25Å; L381-Y425 PolarHBondContact N-O 3.04Å; L381-L426 HydrophobicContact CB-CD1 4.38Å; L381-L426 HydrophobicContact CD2-CD1 4.11Å; L381-L426 HydrophobicContact CG-CD1 4.01Å; L381-L426 CarbonylContact O-C 3.52Å; L381-L426 WeakPolarHBondContact O-CA 3.4Å; L381-A427 PolarHBondContact O-N 2.84Å
382	Q	98.3	Very high	95.1	Very high	69 Å²	69	53.9 Å²	53.9	32%	0.322	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.2	-175	-170.8	173	-73.6	0	0	111.8	A427 P429	Q382-A427 VanDerWaalsContact CA-O 3.29Å; Q382-A427 WeakPolarHBondContact CA-O 3.2Å; Q382-P429 HydrophobicContact CG-CG 4.32Å
383	Y	97.7	Very high	95.3	Very high	8 Å²	8	46.1 Å²	46.1	3%	0.031	29%	0.29	C	S	.	.			trans	-110.5	152.8	164.6	71.9	-94.7	0	0	0	110.5	F389 G413 L426 A427 P428 P429 W439	Y383-F389 HydrophobicContact CD1-CB 4.5Å; Y383-F389 AromaticContact CD1-CD2 3.94Å; Y383-F389 HydrophobicContact CD1-CD2 3.94Å; Y383-F389 HydrophobicContact CD2-CB 3.81Å; Y383-F389 HydrophobicContact CD2-CD2 4.49Å; Y383-F389 AromaticContact CE1-CD2 3.88Å; Y383-F389 HydrophobicContact CE1-CD2 3.88Å; Y383-F389 HydrophobicContact CE2-CB 4.28Å; Y383-F389 HydrophobicContact CE2-CD2 4.47Å; Y383-F389 HydrophobicContact CG-CB 3.94Å; Y383-F389 HydrophobicContact CG-CD2 4.24Å; Y383-G413 WeakPolarHBondContact CE1-O 3.46Å; Y383-G413 WeakPolarHBondContact OH-CA 3.18Å; Y383-G413 PolarHBondContact OH-O 3.48Å; Y383-L426 HydrophobicContact CD1-CD1 3.78Å; Y383-L426 HydrophobicContact CD1-CG 3.8Å; Y383-L426 HydrophobicContact CE1-CG 4.34Å; Y383-L426 HydrophobicContact CG-CD1 4.45Å; Y383-A427 VanDerWaalsContact CD1-C 3.41Å; Y383-A427 WeakPolarHBondContact CD1-O 3.48Å; Y383-A427 PolarHBondContact N-O 3.22Å; Y383-P428 HydrophobicContact CE1-CB 4.34Å; Y383-P428 VanDerWaalsContact CE1-N 3.3Å; Y383-P428 HydrophobicContact CE2-CB 4.07Å; Y383-P429 WeakPolarHBondContact O-CD 3.42Å; Y383-W439 HydrophobicContact CD2-CH2 4.34Å; Y383-W439 HydrophobicContact CD2-CZ3 4.35Å; Y383-W439 AromaticContact CE2-CH2 3.93Å; Y383-W439 HydrophobicContact CE2-CH2 3.93Å; Y383-W439 AromaticContact CE2-CZ3 3.78Å; Y383-W439 HydrophobicContact CE2-CZ3 3.78Å
384	S	95.3	Very high	95.4	Very high	90 Å²	90	51.7 Å²	51.7	63%	0.629	31%	0.313	S	S	*	.			trans	-125.1	-7.3	-176.1	-56.8	0	0	0	0	113.6	S388	S384-S388 PolarHBondContact N-OG 2.79Å; S384-S388 VanDerWaalsContact N-OG 3.11Å
385	S	95.9	Very high	95.6	Very high	49 Å²	49	48.9 Å²	48.9	34%	0.343	29%	0.293	S	S	.	.	S	Bend	trans	-153.4	163.9	-178.5	71.5	0	0	0	0	111.4	D387 S388 F389	S385-D387 VanDerWaalsContact C-N 3.25Å; S385-D387 PolarHBondContact O-N 2.62Å; S385-S388 PolarHBondContact N-OG 2.76Å; S385-S388 PolarHBondContact O-N 2.92Å; S385-S388 PolarHBondContact O-OG 2.98Å; S385-S388 PolarHBondContact OG-N 3.21Å; S385-S388 VanDerWaalsContact OG-N 3.15Å; S385-S388 PolarHBondContact OG-OG 3.49Å; S385-F389 PolarHBondContact O-N 3.35Å
386	K	96.3	Very high	95.9	Very high	60 Å²	60	46.7 Å²	46.7	26%	0.261	27%	0.27	S	S	.	.	H	α-helix	trans	-50.4	-46.8	172.6	-173.1	-178.1	71.7	177.9	0	112.1	F389 K390 W439	K386-F389 WeakPolarHBondContact O-CB 3.42Å; K386-F389 PolarHBondContact O-N 3.4Å; K386-K390 HydrophobicContact CG-CD 4.44Å; K386-K390 WeakPolarHBondContact O-CG 3.44Å; K386-K390 PolarHBondContact O-N 2.91Å; K386-W439 HydrophobicContact CB-CD2 3.54Å; K386-W439 HydrophobicContact CB-CE3 3.81Å; K386-W439 HydrophobicContact CB-CG 3.89Å; K386-W439 HydrophobicContact CB-CH2 4.45Å; K386-W439 HydrophobicContact CB-CZ2 4.23Å; K386-W439 HydrophobicContact CB-CZ3 4.25Å; K386-W439 HydrophobicContact CD-CB 3.92Å; K386-W439 HydrophobicContact CD-CD2 4.46Å; K386-W439 HydrophobicContact CD-CG 3.94Å; K386-W439 HydrophobicContact CG-CB 4.11Å; K386-W439 HydrophobicContact CG-CD2 3.94Å; K386-W439 HydrophobicContact CG-CE3 4.11Å; K386-W439 HydrophobicContact CG-CG 3.93Å; K386-W439 VanDerWaalsContact N-CZ2 3.33Å
387	D	96.6	Very high	96.2	Very high	105 Å²	105	42.9 Å²	42.9	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-70.9	-42.2	-174.9	-60.1	-28.2	0	0	0	111.1	S385 F389 K390 V391	S385-D387 VanDerWaalsContact C-N 3.25Å; S385-D387 PolarHBondContact O-N 2.62Å; D387-F389 VanDerWaalsContact C-N 3.31Å; D387-F389 PolarHBondContact O-N 3.04Å; D387-K390 PolarHBondContact O-N 3.11Å; D387-V391 WeakPolarHBondContact O-CB 3.4Å; D387-V391 VanDerWaalsContact O-CG2 3.27Å; D387-V391 WeakPolarHBondContact O-CG2 3.43Å; D387-V391 PolarHBondContact O-N 3.15Å
388	S	96.8	Very high	96.4	Very high	33 Å²	33	41.5 Å²	41.5	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-40.4	174.6	68.1	0	0	0	0	111.8	S384 S385 M392	S384-S388 PolarHBondContact N-OG 2.79Å; S384-S388 VanDerWaalsContact N-OG 3.11Å; S385-S388 PolarHBondContact N-OG 2.76Å; S385-S388 PolarHBondContact O-N 2.92Å; S385-S388 PolarHBondContact O-OG 2.98Å; S385-S388 PolarHBondContact OG-N 3.21Å; S385-S388 VanDerWaalsContact OG-N 3.15Å; S385-S388 PolarHBondContact OG-OG 3.49Å; S388-M392 WeakPolarHBondContact O-CB 3.23Å; S388-M392 WeakPolarHBondContact O-CE 3.46Å; S388-M392 WeakPolarHBondContact O-CG 3.17Å; S388-M392 PolarHBondContact O-N 3.32Å
389	F	98	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-54.2	173.4	170.8	-93.3	0	0	0	110.7	Y383 S385 K386 D387 V391 M392 A393 L402 P407 V415 L426	Y383-F389 HydrophobicContact CD1-CB 4.5Å; Y383-F389 AromaticContact CD1-CD2 3.94Å; Y383-F389 HydrophobicContact CD1-CD2 3.94Å; Y383-F389 HydrophobicContact CD2-CB 3.81Å; Y383-F389 HydrophobicContact CD2-CD2 4.49Å; Y383-F389 AromaticContact CE1-CD2 3.88Å; Y383-F389 HydrophobicContact CE1-CD2 3.88Å; Y383-F389 HydrophobicContact CE2-CB 4.28Å; Y383-F389 HydrophobicContact CE2-CD2 4.47Å; Y383-F389 HydrophobicContact CG-CB 3.94Å; Y383-F389 HydrophobicContact CG-CD2 4.24Å; S385-F389 PolarHBondContact O-N 3.35Å; K386-F389 WeakPolarHBondContact O-CB 3.42Å; K386-F389 PolarHBondContact O-N 3.4Å; D387-F389 VanDerWaalsContact C-N 3.31Å; D387-F389 PolarHBondContact O-N 3.04Å; F389-V391 PolarHBondContact O-N 2.9Å; F389-M392 PolarHBondContact O-N 3.18Å; F389-A393 HydrophobicContact CE1-CB 4.25Å; F389-A393 HydrophobicContact CZ-CB 4.15Å; F389-A393 WeakPolarHBondContact O-CB 3.46Å; F389-A393 PolarHBondContact O-N 2.95Å; F389-L402 HydrophobicContact CD1-CD1 4Å; F389-L402 HydrophobicContact CD1-CD2 4.26Å; F389-L402 HydrophobicContact CD1-CG 4.39Å; F389-L402 HydrophobicContact CE1-CD1 3.97Å; F389-L402 HydrophobicContact CE1-CD2 4.19Å; F389-L402 HydrophobicContact CE1-CG 4.05Å; F389-P407 HydrophobicContact CE1-CB 3.93Å; F389-P407 HydrophobicContact CE2-CB 3.76Å; F389-P407 HydrophobicContact CE2-CG 4.32Å; F389-P407 HydrophobicContact CZ-CB 3.27Å; F389-P407 HydrophobicContact CZ-CG 4.28Å; F389-V415 HydrophobicContact CE2-CG2 3.96Å; F389-V415 HydrophobicContact CZ-CG2 4.35Å; F389-L426 HydrophobicContact CD2-CD2 3.69Å; F389-L426 HydrophobicContact CD2-CG 4.23Å; F389-L426 HydrophobicContact CE2-CD2 3.64Å; F389-L426 HydrophobicContact CE2-CG 4.36Å
390	K	97.3	Very high	96.2	Very high	53 Å²	53	40.9 Å²	40.9	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-44.6	-178.1	-76.2	-171.1	167.6	-172.6	0	112.3	K386 D387 K394 L402 S440	K386-K390 HydrophobicContact CG-CD 4.44Å; K386-K390 WeakPolarHBondContact O-CG 3.44Å; K386-K390 PolarHBondContact O-N 2.91Å; D387-K390 PolarHBondContact O-N 3.11Å; K390-K394 WeakPolarHBondContact O-CB 3.39Å; K390-K394 PolarHBondContact O-N 3.48Å; K390-L402 HydrophobicContact CD-CD1 4.38Å; K390-L402 HydrophobicContact CG-CD1 4.15Å; K390-S440 PolarHBondContact NZ-O 3.21Å; K390-S440 PolarHBondContact NZ-OXT 3.18Å
391	V	96.5	Very high	96	Very high	90 Å²	90	41.4 Å²	41.4	55%	0.545	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-48.5	179.2	168.9	0	0	0	0	111.3	D387 F389 S395	D387-V391 WeakPolarHBondContact O-CB 3.4Å; D387-V391 VanDerWaalsContact O-CG2 3.27Å; D387-V391 WeakPolarHBondContact O-CG2 3.43Å; D387-V391 PolarHBondContact O-N 3.15Å; F389-V391 PolarHBondContact O-N 2.9Å; V391-S395 VanDerWaalsContact O-CB 3.24Å; V391-S395 WeakPolarHBondContact O-CB 3.47Å; V391-S395 PolarHBondContact O-N 3.29Å; V391-S395 VanDerWaalsContact O-N 3.07Å; V391-S395 PolarHBondContact O-OG 3.42Å
392	M	97.3	Very high	95.9	Very high	21 Å²	21	41.6 Å²	41.6	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-45.7	179	-74.2	-174.9	-82.4	0	0	111.7	Y365 L381 S388 F389 S395 L396 L426	Y365-M392 HydrophobicContact CD2-CG 4.05Å; Y365-M392 HydrophobicContact CG-CG 4.35Å; L381-M392 HydrophobicContact CD1-SD 3.9Å; L381-M392 HydrophobicContact CD2-CG 4.48Å; L381-M392 HydrophobicContact CD2-SD 3.76Å; L381-M392 HydrophobicContact CG-SD 3.73Å; S388-M392 WeakPolarHBondContact O-CB 3.23Å; S388-M392 WeakPolarHBondContact O-CE 3.46Å; S388-M392 WeakPolarHBondContact O-CG 3.17Å; S388-M392 PolarHBondContact O-N 3.32Å; F389-M392 PolarHBondContact O-N 3.18Å; M392-S395 PolarHBondContact O-N 3.35Å; M392-L396 WeakPolarHBondContact O-CB 3.4Å; M392-L396 WeakPolarHBondContact O-CG 3.34Å; M392-L396 PolarHBondContact O-N 2.81Å; M392-L426 HydrophobicContact CB-CD1 4.35Å; M392-L426 HydrophobicContact CE-CD1 4.14Å; M392-L426 HydrophobicContact SD-CD1 4.16Å
393	A	96.8	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-54.7	179.5	0	0	0	0	0	111.2	F389 S395 L396 G397 I398 D400 L426	F389-A393 HydrophobicContact CE1-CB 4.25Å; F389-A393 HydrophobicContact CZ-CB 4.15Å; F389-A393 WeakPolarHBondContact O-CB 3.46Å; F389-A393 PolarHBondContact O-N 2.95Å; A393-S395 VanDerWaalsContact C-N 3.29Å; A393-S395 PolarHBondContact O-N 2.89Å; A393-L396 CarbonylContact O-C 3.46Å; A393-L396 PolarHBondContact O-N 2.91Å; A393-G397 CarbonylContact O-C 3.58Å; A393-G397 WeakPolarHBondContact O-CA 3.44Å; A393-G397 PolarHBondContact O-N 2.97Å; A393-I398 CarbonylContact C-O 3.58Å; A393-I398 VanDerWaalsContact CA-CG1 3.41Å; A393-I398 HydrophobicContact CB-CD1 4Å; A393-I398 HydrophobicContact CB-CG1 3.71Å; A393-I398 WeakPolarHBondContact O-CG1 3.47Å; A393-I398 PolarHBondContact O-N 3.16Å; A393-D400 HydrophobicContact CB-CB 3.88Å; A393-L426 HydrophobicContact CB-CD2 4.35Å
394	K	94.9	Very high	95.8	Very high	143 Å²	143	42.2 Å²	42.2	62%	0.622	24%	0.239	S	C	*	.	H	α-helix	trans	-58.3	-41	178.3	-177	176.8	178.2	-179	0	112.3	K390 G397 D400	K390-K394 WeakPolarHBondContact O-CB 3.39Å; K390-K394 PolarHBondContact O-N 3.48Å; K394-G397 WeakPolarHBondContact O-CA 3.13Å; K394-G397 PolarHBondContact O-N 3.27Å; K394-G397 VanDerWaalsContact O-N 3.14Å; K394-D400 HydrophobicContact CB-CB 4.2Å
395	S	94.2	Very high	95.9	Very high	49 Å²	49	38 Å²	38	34%	0.343	21%	0.21	S	C	.	.	H	α-helix	trans	-77.7	-30.2	-175.2	-57.2	0	0	0	0	114	Y365 V391 M392 A393	Y365-S395 WeakPolarHBondContact OH-CB 3.35Å; Y365-S395 PolarHBondContact OH-OG 2.97Å; V391-S395 VanDerWaalsContact O-CB 3.24Å; V391-S395 WeakPolarHBondContact O-CB 3.47Å; V391-S395 PolarHBondContact O-N 3.29Å; V391-S395 VanDerWaalsContact O-N 3.07Å; V391-S395 PolarHBondContact O-OG 3.42Å; M392-S395 PolarHBondContact O-N 3.35Å; A393-S395 VanDerWaalsContact C-N 3.29Å; A393-S395 PolarHBondContact O-N 2.89Å
396	L	95.3	Very high	96	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-82	-6.4	167.9	-61.9	175.5	0	0	0	111.6	R241 M244 Y365 V368 K369 L381 M392 A393 I398 F417 Y419	R241-L396 PolarHBondContact NH2-O 3.27Å; M244-L396 WeakPolarHBondContact CE-O 3.29Å; Y365-L396 HydrophobicContact CD2-CD1 4.49Å; Y365-L396 HydrophobicContact CD2-CD2 4.3Å; Y365-L396 HydrophobicContact CD2-CG 4.29Å; Y365-L396 HydrophobicContact CE2-CD2 4.08Å; Y365-L396 HydrophobicContact CE2-CG 4.1Å; V368-L396 HydrophobicContact CG1-CD1 4.18Å; V368-L396 HydrophobicContact CG1-CD2 3.86Å; K369-L396 HydrophobicContact CB-CD2 4.31Å; L381-L396 HydrophobicContact CD2-CD1 3.61Å; M392-L396 WeakPolarHBondContact O-CB 3.4Å; M392-L396 WeakPolarHBondContact O-CG 3.34Å; M392-L396 PolarHBondContact O-N 2.81Å; A393-L396 CarbonylContact O-C 3.46Å; A393-L396 PolarHBondContact O-N 2.91Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 PolarHBondContact O-N 3.44Å; L396-F417 HydrophobicContact CB-CE2 4.48Å; L396-F417 HydrophobicContact CD1-CE2 4.34Å; L396-F417 HydrophobicContact CD1-CZ 3.86Å; L396-Y419 HydrophobicContact CB-CE2 4.41Å; L396-Y419 HydrophobicContact CD2-CE1 4.24Å; L396-Y419 HydrophobicContact CD2-CE2 4.21Å
397	G	92.9	Very high	96.1	Very high	23 Å²	23	33 Å²	33	24%	0.237	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-1	174.9	0	0	0	0	0	114.4	R241 A393 K394	R241-G397 PolarHBondContact NH1-O 3.09Å; R241-G397 PolarHBondContact NH2-O 3.1Å; A393-G397 CarbonylContact O-C 3.58Å; A393-G397 WeakPolarHBondContact O-CA 3.44Å; A393-G397 PolarHBondContact O-N 2.97Å; K394-G397 WeakPolarHBondContact O-CA 3.13Å; K394-G397 PolarHBondContact O-N 3.27Å; K394-G397 VanDerWaalsContact O-N 3.14Å
398	I	93.9	Very high	96.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.16	C	C	.	.	S	Bend	trans	-67.8	161.1	174.8	57.1	169.7	0	0	0	109.5	N239 M244 A393 L396 D400 V415 F417 L426	N239-I398 HydrophobicContact CB-CG2 4.49Å; N239-I398 WeakPolarHBondContact OD1-CA 3.47Å; N239-I398 WeakPolarHBondContact OD1-CB 3.49Å; M244-I398 HydrophobicContact SD-CG2 4.49Å; A393-I398 CarbonylContact C-O 3.58Å; A393-I398 VanDerWaalsContact CA-CG1 3.41Å; A393-I398 HydrophobicContact CB-CD1 4Å; A393-I398 HydrophobicContact CB-CG1 3.71Å; A393-I398 WeakPolarHBondContact O-CG1 3.47Å; A393-I398 PolarHBondContact O-N 3.16Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 PolarHBondContact O-N 3.44Å; I398-D400 PolarHBondContact O-N 3.48Å; I398-V415 HydrophobicContact CD1-CG1 4Å; I398-F417 HydrophobicContact CD1-CD1 4.18Å; I398-F417 HydrophobicContact CD1-CE1 3.91Å; I398-F417 HydrophobicContact CD1-CZ 4.24Å; I398-F417 HydrophobicContact CG2-CB 4.26Å; I398-F417 HydrophobicContact CG2-CD1 4.28Å; I398-F417 HydrophobicContact CG2-CD2 3.72Å; I398-F417 HydrophobicContact CG2-CE2 4.1Å; I398-F417 HydrophobicContact CG2-CG 3.84Å; I398-L426 HydrophobicContact CD1-CD2 3.74Å
399	M	95.1	Very high	96.2	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.034	15%	0.15	C	C	.	.			trans	-64.3	128.1	-178.2	-61.9	-169.8	73.8	0	0	110.9	D238 N239 Y323 R408	D238-M399 HydrophobicContact CB-SD 3.86Å; D238-M399 VanDerWaalsContact O-SD 3.35Å; N239-M399 PolarHBondContact OD1-N 2.87Å; Y323-M399 HydrophobicContact CD1-CE 4.41Å; Y323-M399 HydrophobicContact CD1-CG 3.84Å; Y323-M399 HydrophobicContact CD2-CE 4.11Å; Y323-M399 HydrophobicContact CE1-CG 4.08Å; Y323-M399 HydrophobicContact CG-CE 4.04Å; Y323-M399 HydrophobicContact CG-CG 4.37Å; M399-R408 HydrophobicContact CB-CB 3.89Å; M399-R408 HydrophobicContact CB-CG 3.69Å; M399-R408 HydrophobicContact CE-CG 4.39Å; M399-R408 HydrophobicContact CG-CG 4.48Å; M399-R408 HydrophobicContact SD-CG 4.11Å
400	D	94.9	Very high	96.3	Very high	30 Å²	30	27.7 Å²	27.7	16%	0.16	15%	0.15	C	C	.	.			trans	-104.8	-4.3	-171.8	59.9	-41.4	0	0	0	113.6	Y323 A393 K394 I398	Y323-D400 PolarHBondContact OH-OD1 3.33Å; A393-D400 HydrophobicContact CB-CB 3.88Å; K394-D400 HydrophobicContact CB-CB 4.2Å; I398-D400 PolarHBondContact O-N 3.48Å
401	D	94.2	Very high	96.3	Very high	29 Å²	29	25.4 Å²	25.4	16%	0.155	14%	0.14	C	C	.	.			trans	-75.5	145.9	173	67.5	-55.6	0	0	0	111.7	R408	D401-R408 IonicContact OD1-NE 3.44Å; D401-R408 PolarHBondContact OD1-NE 2.83Å; D401-R408 IonicContact OD1-NH2 3.91Å; D401-R408 IonicContact OD2-CZ 3.3Å; D401-R408 IonicContact OD2-NE 2.7Å; D401-R408 PolarHBondContact OD2-NE 2.96Å; D401-R408 IonicContact OD2-NH2 2.89Å; D401-R408 PolarHBondContact OD2-NH2 3.24Å
402	L	96.7	Very high	96.4	Very high	9 Å²	9	25 Å²	25	5%	0.047	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.4	174.2	-58.7	100.1	0	0	0	109.2	F389 K390 G405 V406 P407 W439	F389-L402 HydrophobicContact CD1-CD1 4Å; F389-L402 HydrophobicContact CD1-CD2 4.26Å; F389-L402 HydrophobicContact CD1-CG 4.39Å; F389-L402 HydrophobicContact CE1-CD1 3.97Å; F389-L402 HydrophobicContact CE1-CD2 4.19Å; F389-L402 HydrophobicContact CE1-CG 4.05Å; K390-L402 HydrophobicContact CD-CD1 4.38Å; K390-L402 HydrophobicContact CG-CD1 4.15Å; L402-G405 WeakPolarHBondContact CD2-O 3.41Å; L402-V406 WeakPolarHBondContact CA-O 3.29Å; L402-P407 HydrophobicContact CD2-CB 4.27Å; L402-W439 WeakPolarHBondContact CB-O 3.46Å; L402-W439 HydrophobicContact CD2-CB 4.24Å; L402-W439 HydrophobicContact CD2-CE3 3.93Å
403	K	97.2	Very high	96.4	Very high	55 Å²	55	24 Å²	24	24%	0.239	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.5	174.4	-62	-64.7	-173.4	163.6	0	108.2	F258 D285 R288 G405 V406	F258-K403 HydrophobicContact CE2-CB 3.78Å; F258-K403 HydrophobicContact CE2-CG 3.61Å; F258-K403 HydrophobicContact CZ-CB 4.47Å; F258-K403 HydrophobicContact CZ-CG 3.93Å; D285-K403 VanDerWaalsContact OD1-CD 3.28Å; D285-K403 WeakPolarHBondContact OD1-CD 3.49Å; D285-K403 WeakPolarHBondContact OD1-CE 3.43Å; D285-K403 IonicContact OD1-NZ 2.79Å; D285-K403 PolarHBondContact OD1-NZ 3.27Å; D285-K403 IonicContact OD2-NZ 2.81Å; D285-K403 PolarHBondContact OD2-NZ 2.85Å; R288-K403 HydrophobicContact CB-CB 4.13Å; R288-K403 HydrophobicContact CG-CB 4.48Å; K403-G405 PolarHBondContact O-N 3.37Å; K403-V406 PolarHBondContact N-O 3.17Å; K403-V406 WeakPolarHBondContact O-CB 3.34Å; K403-V406 PolarHBondContact O-N 2.88Å
404	S	96.4	Very high	96.5	Very high	34 Å²	34	24.1 Å²	24.1	24%	0.238	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	42.6	-171.7	-57.4	0	0	0	0	112.4	V406	S404-V406 PolarHBondContact O-N 3.32Å
405	G	97.3	Very high	96.7	Very high	3 Å²	3	17.4 Å²	17.4	3%	0.031	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-3.7	-177.5	0	0	0	0	0	116.6	L402 K403 Y435 D436 W439	L402-G405 WeakPolarHBondContact CD2-O 3.41Å; K403-G405 PolarHBondContact O-N 3.37Å; G405-Y435 WeakPolarHBondContact O-CD1 3.41Å; G405-D436 VanDerWaalsContact CA-O 3.25Å; G405-D436 WeakPolarHBondContact CA-O 3.14Å; G405-W439 WeakPolarHBondContact CA-O 3.49Å; G405-W439 PolarHBondContact N-O 3.46Å
406	V	98.4	Very high	96.9	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.012	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.9	180	-170.7	0	0	0	0	110	D257 F258 L402 K403 S404 Y435	D257-V406 HydrophobicContact CB-CG1 3.95Å; F258-V406 HydrophobicContact CB-CG1 3.94Å; F258-V406 HydrophobicContact CD2-CB 4.39Å; F258-V406 HydrophobicContact CD2-CG1 4.2Å; L402-V406 WeakPolarHBondContact CA-O 3.29Å; K403-V406 PolarHBondContact N-O 3.17Å; K403-V406 WeakPolarHBondContact O-CB 3.34Å; K403-V406 PolarHBondContact O-N 2.88Å; S404-V406 PolarHBondContact O-N 3.32Å; V406-Y435 HydrophobicContact CB-CD1 4.35Å; V406-Y435 HydrophobicContact CB-CE1 4.21Å; V406-Y435 HydrophobicContact CG1-CE1 4.05Å; V406-Y435 HydrophobicContact CG1-CE2 4.25Å; V406-Y435 HydrophobicContact CG2-CD1 4Å; V406-Y435 HydrophobicContact CG2-CD2 3.8Å; V406-Y435 HydrophobicContact CG2-CE1 4.17Å; V406-Y435 HydrophobicContact CG2-CE2 3.96Å; V406-Y435 HydrophobicContact CG2-CG 3.8Å
407	P	98.2	Very high	97	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	151.2	173.6	32	-32.5	0	0	0	111	F389 L402 T409 G410 V415	F389-P407 HydrophobicContact CE1-CB 3.93Å; F389-P407 HydrophobicContact CE2-CB 3.76Å; F389-P407 HydrophobicContact CE2-CG 4.32Å; F389-P407 HydrophobicContact CZ-CB 3.27Å; F389-P407 HydrophobicContact CZ-CG 4.28Å; L402-P407 HydrophobicContact CD2-CB 4.27Å; P407-T409 PolarHBondContact O-N 3.24Å; P407-G410 WeakPolarHBondContact O-CA 3.48Å; P407-G410 PolarHBondContact O-N 3.43Å; P407-V415 HydrophobicContact CB-CG2 3.88Å; P407-V415 HydrophobicContact CG-CG2 3.89Å
408	R	97.9	Very high	97.1	Very high	24 Å²	24	15.4 Å²	15.4	9%	0.091	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	134.2	176.2	-65.9	-98	-175.3	-177.6	-2	111.4	D238 F258 M399 D401 G410	D238-R408 HydrophobicContact CB-CB 3.86Å; D238-R408 HydrophobicContact CB-CG 4.4Å; D238-R408 VanDerWaalsContact CG-CD 3.48Å; D238-R408 WeakPolarHBondContact OD1-CD 3.21Å; D238-R408 IonicContact OD1-CZ 3.21Å; D238-R408 IonicContact OD1-NE 3.2Å; D238-R408 IonicContact OD1-NH1 3.36Å; D238-R408 PolarHBondContact OD1-NH1 2.97Å; F258-R408 HydrophobicContact CE2-CG 4.18Å; F258-R408 HydrophobicContact CZ-CG 4.16Å; M399-R408 HydrophobicContact CB-CB 3.89Å; M399-R408 HydrophobicContact CB-CG 3.69Å; M399-R408 HydrophobicContact CE-CG 4.39Å; M399-R408 HydrophobicContact CG-CG 4.48Å; M399-R408 HydrophobicContact SD-CG 4.11Å; D401-R408 IonicContact OD1-NE 3.44Å; D401-R408 PolarHBondContact OD1-NE 2.83Å; D401-R408 IonicContact OD1-NH2 3.91Å; D401-R408 IonicContact OD2-CZ 3.3Å; D401-R408 IonicContact OD2-NE 2.7Å; D401-R408 PolarHBondContact OD2-NE 2.96Å; D401-R408 IonicContact OD2-NH2 2.89Å; D401-R408 PolarHBondContact OD2-NH2 3.24Å; R408-G410 PolarHBondContact O-N 3.49Å
409	T	97.9	Very high	97.2	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.018	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	9	-173.5	63.7	0	0	0	0	116	N237 D238 N239 P407	N237-T409 WeakPolarHBondContact OD1-CG2 3.38Å; D238-T409 HydrophobicContact CB-CG2 3.76Å; N239-T409 PolarHBondContact ND2-OG1 3.37Å; P407-T409 PolarHBondContact O-N 3.24Å
410	G	98.3	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.105	C	C	.	.			trans	-70.2	140.2	-175.6	0	0	0	0	0	112.2	T256 D257 P407 R408 V414	T256-G410 CarbonylContact C-O 3.56Å; T256-G410 PolarHBondContact OG1-O 3.03Å; D257-G410 PolarHBondContact N-O 2.97Å; P407-G410 WeakPolarHBondContact O-CA 3.48Å; P407-G410 PolarHBondContact O-N 3.43Å; R408-G410 PolarHBondContact O-N 3.49Å; G410-V414 WeakPolarHBondContact CA-O 3.48Å
411	Y	98.6	Very high	96.9	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.02	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-130.7	120.5	164.6	177.7	-104.6	0	0	0	108.3	R255 D257 A297 E346 Y349 F353 G413 V414	R255-Y411 HydrophobicContact CB-CD2 3.82Å; R255-Y411 HydrophobicContact CB-CE2 3.84Å; R255-Y411 HydrophobicContact CB-CG 4.33Å; R255-Y411 WeakPolarHBondContact O-CB 3.2Å; D257-Y411 WeakPolarHBondContact OD2-CA 3.43Å; A297-Y411 HydrophobicContact CB-CE2 4.4Å; E346-Y411 VanDerWaalsContact CD-OH 3.25Å; E346-Y411 PolarHBondContact OE1-OH 3.21Å; E346-Y411 PolarHBondContact OE2-OH 3.2Å; Y349-Y411 HydrophobicContact CD1-CD1 4.28Å; Y349-Y411 AromaticContact CD1-CE1 3.7Å; Y349-Y411 HydrophobicContact CD1-CE1 3.7Å; Y349-Y411 AromaticContact CD1-CZ 3.95Å; Y349-Y411 AromaticContact CE1-CD1 3.74Å; Y349-Y411 HydrophobicContact CE1-CD1 3.74Å; Y349-Y411 AromaticContact CE1-CE1 3.64Å; Y349-Y411 HydrophobicContact CE1-CE1 3.64Å; Y349-Y411 HydrophobicContact CE1-CG 4.34Å; F353-Y411 AromaticContact CD1-CD1 3.74Å; F353-Y411 HydrophobicContact CD1-CD1 3.74Å; F353-Y411 HydrophobicContact CD1-CE1 4.13Å; F353-Y411 AromaticContact CE1-CD1 3.84Å; F353-Y411 HydrophobicContact CE1-CD1 3.84Å; Y411-G413 PolarHBondContact O-N 3.43Å; Y411-V414 PolarHBondContact N-O 2.86Å; Y411-V414 WeakPolarHBondContact O-CB 3.34Å; Y411-V414 PolarHBondContact O-N 2.86Å
412	R	97.8	Very high	97	Very high	81 Å²	81	26.8 Å²	26.8	31%	0.306	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	42.4	-172.3	-55.8	-173.3	66.6	99.8	6.2	113.2	D257 V414 W432 Y435	D257-R412 PolarHBondContact OD2-N 2.93Å; R412-V414 PolarHBondContact O-N 3.37Å; R412-W432 HydrophobicContact CB-CE3 3.74Å; R412-W432 HydrophobicContact CB-CH2 4.39Å; R412-W432 HydrophobicContact CB-CZ3 3.56Å; R412-W432 HydrophobicContact CG-CZ3 4.05Å; R412-Y435 PolarHBondContact N-OH 3.02Å
413	G	97.9	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-10.3	-175	0	0	0	0	0	115.5	Y383 Y411 Y435	Y383-G413 WeakPolarHBondContact CE1-O 3.46Å; Y383-G413 WeakPolarHBondContact OH-CA 3.18Å; Y383-G413 PolarHBondContact OH-O 3.48Å; Y411-G413 PolarHBondContact O-N 3.43Å; G413-Y435 PolarHBondContact N-OH 3.08Å
414	V	98.8	Very high	97	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-83.8	122.4	-178.2	-174.7	0	0	0	0	110.9	F353 V357 G410 Y411 R412 Y425 L426 A427	F353-V414 HydrophobicContact CE1-CB 3.99Å; F353-V414 HydrophobicContact CE1-CG1 4.18Å; F353-V414 HydrophobicContact CE1-CG2 4.29Å; F353-V414 HydrophobicContact CZ-CB 4.18Å; F353-V414 HydrophobicContact CZ-CG1 3.95Å; V357-V414 HydrophobicContact CG1-CG1 4.12Å; V357-V414 HydrophobicContact CG1-CG2 4.06Å; V357-V414 HydrophobicContact CG2-CG1 4Å; G410-V414 WeakPolarHBondContact CA-O 3.48Å; Y411-V414 PolarHBondContact N-O 2.86Å; Y411-V414 WeakPolarHBondContact O-CB 3.34Å; Y411-V414 PolarHBondContact O-N 2.86Å; R412-V414 PolarHBondContact O-N 3.37Å; V414-Y425 HydrophobicContact CG1-CD1 4.12Å; V414-Y425 HydrophobicContact CG1-CG 4.38Å; V414-L426 WeakPolarHBondContact CA-O 3.42Å; V414-A427 HydrophobicContact CB-CB 4.48Å; V414-A427 HydrophobicContact CG1-CB 4.16Å; V414-A427 HydrophobicContact CG2-CB 3.91Å
415	V	98.7	Very high	97.2	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.2	169.3	-179.1	0	0	0	0	109.1	F389 I398 P407 F417 L426	F389-V415 HydrophobicContact CE2-CG2 3.96Å; F389-V415 HydrophobicContact CZ-CG2 4.35Å; I398-V415 HydrophobicContact CD1-CG1 4Å; P407-V415 HydrophobicContact CB-CG2 3.88Å; P407-V415 HydrophobicContact CG-CG2 3.89Å; V415-F417 HydrophobicContact CG1-CD1 4.22Å; V415-L426 HydrophobicContact CB-CB 4.36Å; V415-L426 PolarHBondContact N-O 3.17Å; V415-L426 PolarHBondContact O-N 2.92Å
416	S	98.3	Very high	97.2	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.021	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.6	-179.8	-57.6	0	0	0	0	110.6	R300 F353 Y425	R300-S416 PolarHBondContact NH2-O 2.78Å; F353-S416 WeakPolarHBondContact CZ-OG 3.43Å; S416-Y425 VanDerWaalsContact OG-CD1 3.31Å; S416-Y425 WeakPolarHBondContact OG-CD1 3.3Å; S416-Y425 WeakPolarHBondContact OG-CE1 3.31Å
417	F	97.7	Very high	97.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161.5	-179.2	62.6	-74.2	0	0	0	111	M244 L396 I398 V415 Y419 I424 L426	M244-F417 HydrophobicContact SD-CD2 4.21Å; L396-F417 HydrophobicContact CB-CE2 4.48Å; L396-F417 HydrophobicContact CD1-CE2 4.34Å; L396-F417 HydrophobicContact CD1-CZ 3.86Å; I398-F417 HydrophobicContact CD1-CD1 4.18Å; I398-F417 HydrophobicContact CD1-CE1 3.91Å; I398-F417 HydrophobicContact CD1-CZ 4.24Å; I398-F417 HydrophobicContact CG2-CB 4.26Å; I398-F417 HydrophobicContact CG2-CD1 4.28Å; I398-F417 HydrophobicContact CG2-CD2 3.72Å; I398-F417 HydrophobicContact CG2-CE2 4.1Å; I398-F417 HydrophobicContact CG2-CG 3.84Å; V415-F417 HydrophobicContact CG1-CD1 4.22Å; F417-Y419 HydrophobicContact CE2-CD2 4.26Å; F417-Y419 HydrophobicContact CE2-CG 4.33Å; F417-I424 HydrophobicContact CD1-CB 4.4Å; F417-I424 HydrophobicContact CD2-CB 4.48Å; F417-I424 HydrophobicContact CE1-CB 3.92Å; F417-I424 HydrophobicContact CE1-CG2 3.79Å; F417-I424 HydrophobicContact CE2-CB 4.02Å; F417-I424 HydrophobicContact CE2-CG1 4.34Å; F417-I424 HydrophobicContact CE2-CG2 4.29Å; F417-I424 HydrophobicContact CZ-CB 3.7Å; F417-I424 HydrophobicContact CZ-CG1 4.4Å; F417-I424 HydrophobicContact CZ-CG2 3.54Å; F417-I424 PolarHBondContact N-O 2.01Å; F417-I424 VanDerWaalsContact N-O 3.08Å; F417-I424 PolarHBondContact O-N 3.46Å; F417-L426 HydrophobicContact CE1-CB 3.91Å
418	F	95.8	Very high	97.2	Very high	29 Å²	29	23.3 Å²	23.3	13%	0.127	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.3	169.5	-145	-126.7	0	0	0	108.9	M244 D246 G421 R422 R423	M244-F418 VanDerWaalsContact C-CB 3.48Å; M244-F418 VanDerWaalsContact CA-O 3.24Å; M244-F418 WeakPolarHBondContact CA-O 3.48Å; M244-F418 WeakPolarHBondContact O-CB 3.36Å; M244-F418 PolarHBondContact O-N 3.15Å; D246-F418 HydrophobicContact CB-CD1 4.44Å; D246-F418 HydrophobicContact CB-CD2 3.99Å; D246-F418 HydrophobicContact CB-CE1 4.44Å; D246-F418 HydrophobicContact CB-CE2 4.04Å; D246-F418 HydrophobicContact CB-CG 4.22Å; D246-F418 HydrophobicContact CB-CZ 4.26Å; F418-G421 WeakPolarHBondContact CZ-O 3.4Å; F418-R422 CarbonylContact C-O 3.53Å; F418-R422 WeakPolarHBondContact CA-O 3.32Å; F418-R422 VanDerWaalsContact CD2-C 3.42Å; F418-R422 VanDerWaalsContact CD2-O 3.31Å; F418-R422 WeakPolarHBondContact CD2-O 3.28Å; F418-R422 VanDerWaalsContact CE2-C 3.47Å; F418-R423 HydrophobicContact CD2-CB 4.45Å
419	Y	94.9	Very high	97.2	Very high	28 Å²	28	24.5 Å²	24.5	11%	0.11	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	122.2	174.4	-168.7	-97.5	0	0	0	108.6	M244 V368 L396 F417 G421 R422	M244-Y419 HydrophobicContact CE-CD2 3.58Å; M244-Y419 HydrophobicContact CE-CE2 3.7Å; M244-Y419 HydrophobicContact SD-CD2 3.8Å; V368-Y419 HydrophobicContact CG1-CD1 3.88Å; V368-Y419 HydrophobicContact CG1-CE1 4.31Å; V368-Y419 HydrophobicContact CG1-CG 4.47Å; V368-Y419 VanDerWaalsContact O-CE1 3.3Å; V368-Y419 WeakPolarHBondContact O-CE1 3.34Å; L396-Y419 HydrophobicContact CB-CE2 4.41Å; L396-Y419 HydrophobicContact CD2-CE1 4.24Å; L396-Y419 HydrophobicContact CD2-CE2 4.21Å; F417-Y419 HydrophobicContact CE2-CD2 4.26Å; F417-Y419 HydrophobicContact CE2-CG 4.33Å; Y419-G421 PolarHBondContact O-N 2.95Å; Y419-G421 VanDerWaalsContact O-N 3.14Å; Y419-R422 PolarHBondContact N-O 3.24Å; Y419-R422 PolarHBondContact O-N 3.27Å
420	R	92.4	Very high	97	Very high	153 Å²	153	28.5 Å²	28.5	58%	0.577	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	43.4	179.8	-63.2	-177.9	173.9	-160.6	-2.2	113.5	K369 Q370	K369-R420 PolarHBondContact O-NH1 3.04Å; K369-R420 PolarHBondContact O-NH2 3.06Å; Q370-R420 VanDerWaalsContact C-NH1 3.31Å; Q370-R420 PolarHBondContact O-NH1 3.15Å
421	G	92.3	Very high	96.6	Very high	36 Å²	36	32.1 Å²	32.1	37%	0.371	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	12.5	177	0	0	0	0	0	115.3	F418 Y419	F418-G421 WeakPolarHBondContact CZ-O 3.4Å; Y419-G421 PolarHBondContact O-N 2.95Å; Y419-G421 VanDerWaalsContact O-N 3.14Å
422	R	94.9	Very high	96.4	Very high	90 Å²	90	34.5 Å²	34.5	34%	0.34	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.5	-179.2	-61.6	-62.1	-174.3	-98.4	-1.1	111.6	L373 G375 S376 F379 F418 Y419 I424	L373-R422 HydrophobicContact CD1-CB 4.31Å; L373-R422 HydrophobicContact CD1-CG 4.36Å; G375-R422 PolarHBondContact O-NE 2.82Å; G375-R422 PolarHBondContact O-NH2 2.96Å; S376-R422 WeakPolarHBondContact O-CD 3.35Å; F379-R422 HydrophobicContact CD2-CB 4.27Å; F379-R422 HydrophobicContact CE2-CB 4.18Å; F379-R422 HydrophobicContact CE2-CG 4.11Å; F418-R422 CarbonylContact C-O 3.53Å; F418-R422 WeakPolarHBondContact CA-O 3.32Å; F418-R422 VanDerWaalsContact CD2-C 3.42Å; F418-R422 VanDerWaalsContact CD2-O 3.31Å; F418-R422 WeakPolarHBondContact CD2-O 3.28Å; F418-R422 VanDerWaalsContact CE2-C 3.47Å; Y419-R422 PolarHBondContact N-O 3.24Å; Y419-R422 PolarHBondContact O-N 3.27Å; R422-I424 HydrophobicContact CB-CD1 4.33Å
423	R	97.4	Very high	96.1	Very high	24 Å²	24	34.8 Å²	34.8	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.1	171.9	179.7	63.8	59.8	-164.8	-4.4	109.9	Y254 E302 P378 F379 F418 Y425	Y254-R423 VanDerWaalsContact OH-CZ 3.22Å; Y254-R423 PolarHBondContact OH-NH1 3.23Å; Y254-R423 PolarHBondContact OH-NH2 2.87Å; E302-R423 IonicContact OE1-CZ 3.21Å; E302-R423 VanDerWaalsContact OE1-CZ 3.27Å; E302-R423 IonicContact OE1-NH1 3.15Å; E302-R423 PolarHBondContact OE1-NH1 3.42Å; E302-R423 IonicContact OE1-NH2 2.85Å; E302-R423 PolarHBondContact OE1-NH2 2.83Å; E302-R423 IonicContact OE2-CZ 2.82Å; E302-R423 IonicContact OE2-NH1 2.73Å; E302-R423 PolarHBondContact OE2-NH1 3.5Å; E302-R423 IonicContact OE2-NH2 2.77Å; P378-R423 WeakPolarHBondContact CA-O 3.29Å; P378-R423 HydrophobicContact CB-CB 3.99Å; P378-R423 HydrophobicContact CB-CG 3.87Å; F379-R423 PolarHBondContact N-O 3.21Å; F418-R423 HydrophobicContact CD2-CB 4.45Å; R423-Y425 HydrophobicContact CG-CE1 4.07Å; R423-Y425 HydrophobicContact CG-CE2 4.36Å
424	I	98.2	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.9	177	-49.7	-59.6	0	0	0	109.7	V368 L373 F379 L381 F417 R422	V368-I424 HydrophobicContact CG1-CD1 4.2Å; V368-I424 HydrophobicContact CG1-CG1 4.22Å; V368-I424 HydrophobicContact CG2-CD1 4.33Å; L373-I424 HydrophobicContact CD1-CD1 3.71Å; F379-I424 HydrophobicContact CB-CD1 4.07Å; F379-I424 HydrophobicContact CD2-CD1 4.13Å; F379-I424 WeakPolarHBondContact O-CA 3.11Å; L381-I424 HydrophobicContact CB-CG2 4.25Å; F417-I424 HydrophobicContact CD1-CB 4.4Å; F417-I424 HydrophobicContact CD2-CB 4.48Å; F417-I424 HydrophobicContact CE1-CB 3.92Å; F417-I424 HydrophobicContact CE1-CG2 3.79Å; F417-I424 HydrophobicContact CE2-CB 4.02Å; F417-I424 HydrophobicContact CE2-CG1 4.34Å; F417-I424 HydrophobicContact CE2-CG2 4.29Å; F417-I424 HydrophobicContact CZ-CB 3.7Å; F417-I424 HydrophobicContact CZ-CG1 4.4Å; F417-I424 HydrophobicContact CZ-CG2 3.54Å; F417-I424 PolarHBondContact N-O 2.01Å; F417-I424 VanDerWaalsContact N-O 3.08Å; F417-I424 PolarHBondContact O-N 3.46Å; R422-I424 HydrophobicContact CB-CD1 4.33Å
425	Y	98.6	Very high	95.9	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	106	167.5	-59.6	-55	0	0	0	109.1	F353 Q356 V357 A360 P378 F379 R380 L381 V414 S416 R423 A427	F353-Y425 HydrophobicContact CE2-CE1 4.25Å; Q356-Y425 HydrophobicContact CG-CE2 4.24Å; Q356-Y425 PolarHBondContact NE2-OH 3.36Å; Q356-Y425 VanDerWaalsContact NE2-OH 3.15Å; Q356-Y425 PolarHBondContact OE1-OH 2.95Å; V357-Y425 HydrophobicContact CB-CD2 4.27Å; V357-Y425 HydrophobicContact CB-CG 4.44Å; V357-Y425 HydrophobicContact CG1-CD2 4.42Å; V357-Y425 HydrophobicContact CG1-CG 4.3Å; V357-Y425 HydrophobicContact CG2-CD1 3.94Å; V357-Y425 HydrophobicContact CG2-CD2 3.95Å; V357-Y425 HydrophobicContact CG2-CE1 4.16Å; V357-Y425 HydrophobicContact CG2-CE2 4.13Å; V357-Y425 HydrophobicContact CG2-CG 3.86Å; A360-Y425 HydrophobicContact CB-CD2 4.31Å; P378-Y425 HydrophobicContact CB-CD2 4.11Å; P378-Y425 HydrophobicContact CB-CE2 3.47Å; P378-Y425 VanDerWaalsContact CB-CE2 3.47Å; P378-Y425 HydrophobicContact CG-CE2 3.85Å; F379-Y425 PolarHBondContact O-N 2.55Å; R380-Y425 CarbonylContact C-O 3.59Å; R380-Y425 WeakPolarHBondContact CA-O 3.04Å; L381-Y425 PolarHBondContact N-O 3.04Å; V414-Y425 HydrophobicContact CG1-CD1 4.12Å; V414-Y425 HydrophobicContact CG1-CG 4.38Å; S416-Y425 VanDerWaalsContact OG-CD1 3.31Å; S416-Y425 WeakPolarHBondContact OG-CD1 3.3Å; S416-Y425 WeakPolarHBondContact OG-CE1 3.31Å; R423-Y425 HydrophobicContact CG-CE1 4.07Å; R423-Y425 HydrophobicContact CG-CE2 4.36Å; Y425-A427 PolarHBondContact O-N 3.09Å
426	L	98.6	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	105.1	165.7	176.9	62.8	0	0	0	107.4	L381 Y383 F389 M392 A393 I398 V414 V415 F417	L381-L426 HydrophobicContact CB-CD1 4.38Å; L381-L426 HydrophobicContact CD2-CD1 4.11Å; L381-L426 HydrophobicContact CG-CD1 4.01Å; L381-L426 CarbonylContact O-C 3.52Å; L381-L426 WeakPolarHBondContact O-CA 3.4Å; Y383-L426 HydrophobicContact CD1-CD1 3.78Å; Y383-L426 HydrophobicContact CD1-CG 3.8Å; Y383-L426 HydrophobicContact CE1-CG 4.34Å; Y383-L426 HydrophobicContact CG-CD1 4.45Å; F389-L426 HydrophobicContact CD2-CD2 3.69Å; F389-L426 HydrophobicContact CD2-CG 4.23Å; F389-L426 HydrophobicContact CE2-CD2 3.64Å; F389-L426 HydrophobicContact CE2-CG 4.36Å; M392-L426 HydrophobicContact CB-CD1 4.35Å; M392-L426 HydrophobicContact CE-CD1 4.14Å; M392-L426 HydrophobicContact SD-CD1 4.16Å; A393-L426 HydrophobicContact CB-CD2 4.35Å; I398-L426 HydrophobicContact CD1-CD2 3.74Å; V414-L426 WeakPolarHBondContact CA-O 3.42Å; V415-L426 HydrophobicContact CB-CB 4.36Å; V415-L426 PolarHBondContact N-O 3.17Å; V415-L426 PolarHBondContact O-N 2.92Å; F417-L426 HydrophobicContact CE1-CB 3.91Å
427	A	98.6	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.1	-165	0	0	0	0	0	112.5	V357 R380 L381 Q382 Y383 V414 Y425	V357-A427 HydrophobicContact CG1-CB 3.98Å; R380-A427 HydrophobicContact CG-CB 3.94Å; L381-A427 PolarHBondContact O-N 2.84Å; Q382-A427 VanDerWaalsContact CA-O 3.29Å; Q382-A427 WeakPolarHBondContact CA-O 3.2Å; Y383-A427 VanDerWaalsContact CD1-C 3.41Å; Y383-A427 WeakPolarHBondContact CD1-O 3.48Å; Y383-A427 PolarHBondContact N-O 3.22Å; V414-A427 HydrophobicContact CB-CB 4.48Å; V414-A427 HydrophobicContact CG1-CB 4.16Å; V414-A427 HydrophobicContact CG2-CB 3.91Å; Y425-A427 PolarHBondContact O-N 3.09Å
428	P	98.1	Very high	95.4	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.019	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.4	169.7	166.8	31.6	-33.8	0	0	0	110.4	Y358 Y383 W432	Y358-P428 WeakPolarHBondContact CE1-O 3.42Å; Y358-P428 PolarHBondContact OH-O 2.68Å; Y358-P428 VanDerWaalsContact OH-O 3.08Å; Y383-P428 HydrophobicContact CE1-CB 4.34Å; Y383-P428 VanDerWaalsContact CE1-N 3.3Å; Y383-P428 HydrophobicContact CE2-CB 4.07Å; P428-W432 HydrophobicContact CB-CB 3.97Å; P428-W432 HydrophobicContact CB-CG 3.95Å; P428-W432 HydrophobicContact CG-CB 3.62Å; P428-W432 HydrophobicContact CG-CD2 4.33Å; P428-W432 HydrophobicContact CG-CG 3.56Å
429	P	96.8	Very high	95.2	Very high	50 Å²	50	55.9 Å²	55.9	33%	0.325	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-59.7	158.1	175	-19.8	34.1	0	0	0	111.9	Y358 Q382 Y383 W432	Y358-P429 PolarHBondContact OH-O 2.73Å; Q382-P429 HydrophobicContact CG-CG 4.32Å; Y383-P429 WeakPolarHBondContact O-CD 3.42Å; P429-W432 PolarHBondContact O-N 3.21Å
430	P	94.6	Very high	94.4	Very high	86 Å²	86	59.3 Å²	59.3	56%	0.558	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	141.9	169.1	-21.7	31.4	0	0	0	111.1	Y358	Y358-P430 HydrophobicContact CD1-CB 4.22Å; Y358-P430 HydrophobicContact CD1-CG 3.76Å; Y358-P430 HydrophobicContact CE1-CB 4.27Å; Y358-P430 HydrophobicContact CE1-CG 3.96Å
431	G	90.3	Very high	94.5	Very high	77 Å²	77	54.7 Å²	54.7	79%	0.794	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	4.3	-178.3	0	0	0	0	0	115.2	S433	G431-S433 PolarHBondContact O-N 2.87Å
432	W	94.2	Very high	94.6	Very high	55 Å²	55	55.6 Å²	55.6	21%	0.208	33%	0.325	C	S	.	.			trans	-55.5	130.4	169.8	-176.7	93.9	0	0	0	111.5	R412 P428 P429 Q434 Y435	R412-W432 HydrophobicContact CB-CE3 3.74Å; R412-W432 HydrophobicContact CB-CH2 4.39Å; R412-W432 HydrophobicContact CB-CZ3 3.56Å; R412-W432 HydrophobicContact CG-CZ3 4.05Å; P428-W432 HydrophobicContact CB-CB 3.97Å; P428-W432 HydrophobicContact CB-CG 3.95Å; P428-W432 HydrophobicContact CG-CB 3.62Å; P428-W432 HydrophobicContact CG-CD2 4.33Å; P428-W432 HydrophobicContact CG-CG 3.56Å; P429-W432 PolarHBondContact O-N 3.21Å; W432-Q434 WeakPolarHBondContact CZ2-O 3.48Å; W432-Q434 PolarHBondContact NE1-O 3.43Å; W432-Q434 VanDerWaalsContact NE1-O 3.16Å; W432-Y435 HydrophobicContact CH2-CD1 4.23Å; W432-Y435 AromaticContact CH2-CD2 3.68Å; W432-Y435 HydrophobicContact CH2-CD2 3.68Å; W432-Y435 HydrophobicContact CH2-CE1 4.13Å; W432-Y435 AromaticContact CH2-CE2 3.57Å; W432-Y435 HydrophobicContact CH2-CE2 3.57Å; W432-Y435 HydrophobicContact CH2-CG 4.03Å; W432-Y435 AromaticContact CH2-CZ 3.82Å; W432-Y435 AromaticContact CZ2-CD1 3.58Å; W432-Y435 HydrophobicContact CZ2-CD1 3.58Å; W432-Y435 AromaticContact CZ2-CD2 3.83Å; W432-Y435 HydrophobicContact CZ2-CD2 3.83Å; W432-Y435 AromaticContact CZ2-CE1 3.67Å; W432-Y435 HydrophobicContact CZ2-CE1 3.67Å; W432-Y435 AromaticContact CZ2-CE2 3.93Å; W432-Y435 HydrophobicContact CZ2-CE2 3.93Å; W432-Y435 AromaticContact CZ2-CG 3.67Å; W432-Y435 HydrophobicContact CZ2-CG 3.67Å; W432-Y435 AromaticContact CZ2-CZ 3.86Å; W432-Y435 VanDerWaalsContact CZ2-N 3.32Å
433	S	90.8	Very high	94.6	Very high	87 Å²	87	53.7 Å²	53.7	61%	0.608	32%	0.324	S	S	*	.			trans	-119.5	-34.2	-173.4	58	0	0	0	0	114.2	G431	G431-S433 PolarHBondContact O-N 2.87Å
434	Q	94.9	Very high	94.4	Very high	148 Å²	148	55.5 Å²	55.5	69%	0.692	34%	0.338	S	S	*	.			trans	-154.1	157.1	-172.6	65.7	-173.9	-3.4	0	0	113.4	W432	W432-Q434 WeakPolarHBondContact CZ2-O 3.48Å; W432-Q434 PolarHBondContact NE1-O 3.43Å; W432-Q434 VanDerWaalsContact NE1-O 3.16Å
435	Y	97.6	Very high	94.2	Very high	30 Å²	30	58.9 Å²	58.9	12%	0.118	36%	0.359	C	S	.	.			trans	-76.9	146.9	170	-69	-71.9	0	0	0	110.7	D257 G405 V406 R412 G413 W432 P437	D257-Y435 HydrophobicContact CB-CE2 3.74Å; D257-Y435 WeakPolarHBondContact OD2-CE2 3.31Å; D257-Y435 PolarHBondContact OD2-OH 2.87Å; G405-Y435 WeakPolarHBondContact O-CD1 3.41Å; V406-Y435 HydrophobicContact CB-CD1 4.35Å; V406-Y435 HydrophobicContact CB-CE1 4.21Å; V406-Y435 HydrophobicContact CG1-CE1 4.05Å; V406-Y435 HydrophobicContact CG1-CE2 4.25Å; V406-Y435 HydrophobicContact CG2-CD1 4Å; V406-Y435 HydrophobicContact CG2-CD2 3.8Å; V406-Y435 HydrophobicContact CG2-CE1 4.17Å; V406-Y435 HydrophobicContact CG2-CE2 3.96Å; V406-Y435 HydrophobicContact CG2-CG 3.8Å; R412-Y435 PolarHBondContact N-OH 3.02Å; G413-Y435 PolarHBondContact N-OH 3.08Å; W432-Y435 HydrophobicContact CH2-CD1 4.23Å; W432-Y435 AromaticContact CH2-CD2 3.68Å; W432-Y435 HydrophobicContact CH2-CD2 3.68Å; W432-Y435 HydrophobicContact CH2-CE1 4.13Å; W432-Y435 AromaticContact CH2-CE2 3.57Å; W432-Y435 HydrophobicContact CH2-CE2 3.57Å; W432-Y435 HydrophobicContact CH2-CG 4.03Å; W432-Y435 AromaticContact CH2-CZ 3.82Å; W432-Y435 AromaticContact CZ2-CD1 3.58Å; W432-Y435 HydrophobicContact CZ2-CD1 3.58Å; W432-Y435 AromaticContact CZ2-CD2 3.83Å; W432-Y435 HydrophobicContact CZ2-CD2 3.83Å; W432-Y435 AromaticContact CZ2-CE1 3.67Å; W432-Y435 HydrophobicContact CZ2-CE1 3.67Å; W432-Y435 AromaticContact CZ2-CE2 3.93Å; W432-Y435 HydrophobicContact CZ2-CE2 3.93Å; W432-Y435 AromaticContact CZ2-CG 3.67Å; W432-Y435 HydrophobicContact CZ2-CG 3.67Å; W432-Y435 AromaticContact CZ2-CZ 3.86Å; W432-Y435 VanDerWaalsContact CZ2-N 3.32Å; Y435-P437 WeakPolarHBondContact O-CD 3.46Å
436	D	95.8	Very high	93.9	Very high	68 Å²	68	62.7 Å²	62.7	36%	0.364	38%	0.382	S	S	.	.			trans	-102.6	108.1	171.5	178.9	-8.6	0	0	0	108.9	G405 T438 W439	G405-D436 VanDerWaalsContact CA-O 3.25Å; G405-D436 WeakPolarHBondContact CA-O 3.14Å; D436-T438 PolarHBondContact O-N 3.23Å; D436-T438 VanDerWaalsContact OD1-CB 3.29Å; D436-T438 WeakPolarHBondContact OD1-CB 3.31Å; D436-T438 WeakPolarHBondContact OD1-CG2 3.44Å; D436-T438 PolarHBondContact OD1-N 3.41Å; D436-T438 PolarHBondContact OD1-OG1 3.07Å; D436-T438 PolarHBondContact OD2-OG1 3.21Å; D436-T438 VanDerWaalsContact OD2-OG1 3.07Å; D436-W439 HydrophobicContact CB-CG 4.28Å; D436-W439 WeakPolarHBondContact O-CB 3.43Å; D436-W439 PolarHBondContact O-N 3.17Å; D436-W439 PolarHBondContact OD2-NE1 3.32Å
437	P	94.2	Very high	93.6	Very high	79 Å²	79	67.1 Å²	67.1	51%	0.513	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.1	-178.5	-24	34.9	0	0	0	114.4	Y435 W439	Y435-P437 WeakPolarHBondContact O-CD 3.46Å; P437-W439 PolarHBondContact O-N 2.72Å
438	T	93.9	Very high	93.2	Very high	100 Å²	100	72.3 Å²	72.3	61%	0.613	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.1	175.4	74.3	0	0	0	0	112.8	D436 S440	D436-T438 PolarHBondContact O-N 3.23Å; D436-T438 VanDerWaalsContact OD1-CB 3.29Å; D436-T438 WeakPolarHBondContact OD1-CB 3.31Å; D436-T438 WeakPolarHBondContact OD1-CG2 3.44Å; D436-T438 PolarHBondContact OD1-N 3.41Å; D436-T438 PolarHBondContact OD1-OG1 3.07Å; D436-T438 PolarHBondContact OD2-OG1 3.21Å; D436-T438 VanDerWaalsContact OD2-OG1 3.07Å; T438-S440 VanDerWaalsContact C-N 3.32Å; T438-S440 PolarHBondContact O-N 3.41Å
439	W	91.9	Very high	92.8	Very high	57 Å²	57	78.1 Å²	78.1	22%	0.216	48%	0.476	C	S	.	.			trans	-77.8	84.7	172.3	-70.5	31.8	0	0	0	110.3	Y383 K386 L402 G405 D436 P437	Y383-W439 HydrophobicContact CD2-CH2 4.34Å; Y383-W439 HydrophobicContact CD2-CZ3 4.35Å; Y383-W439 AromaticContact CE2-CH2 3.93Å; Y383-W439 HydrophobicContact CE2-CH2 3.93Å; Y383-W439 AromaticContact CE2-CZ3 3.78Å; Y383-W439 HydrophobicContact CE2-CZ3 3.78Å; K386-W439 HydrophobicContact CB-CD2 3.54Å; K386-W439 HydrophobicContact CB-CE3 3.81Å; K386-W439 HydrophobicContact CB-CG 3.89Å; K386-W439 HydrophobicContact CB-CH2 4.45Å; K386-W439 HydrophobicContact CB-CZ2 4.23Å; K386-W439 HydrophobicContact CB-CZ3 4.25Å; K386-W439 HydrophobicContact CD-CB 3.92Å; K386-W439 HydrophobicContact CD-CD2 4.46Å; K386-W439 HydrophobicContact CD-CG 3.94Å; K386-W439 HydrophobicContact CG-CB 4.11Å; K386-W439 HydrophobicContact CG-CD2 3.94Å; K386-W439 HydrophobicContact CG-CE3 4.11Å; K386-W439 HydrophobicContact CG-CG 3.93Å; K386-W439 VanDerWaalsContact N-CZ2 3.33Å; L402-W439 WeakPolarHBondContact CB-O 3.46Å; L402-W439 HydrophobicContact CD2-CB 4.24Å; L402-W439 HydrophobicContact CD2-CE3 3.93Å; G405-W439 WeakPolarHBondContact CA-O 3.49Å; G405-W439 PolarHBondContact N-O 3.46Å; D436-W439 HydrophobicContact CB-CG 4.28Å; D436-W439 WeakPolarHBondContact O-CB 3.43Å; D436-W439 PolarHBondContact O-N 3.17Å; D436-W439 PolarHBondContact OD2-NE1 3.32Å; P437-W439 PolarHBondContact O-N 2.72Å
440	S	78.2	Confident	92.4	Very high	100 Å²	100	80.6 Å²	80.6	70%	0.699	49%	0.489	S	S	*	.			trans	-94.7	0	169.2	65.4	0	0	0	0	111.8	K390 T438	K390-S440 PolarHBondContact NZ-O 3.21Å; K390-S440 PolarHBondContact NZ-OXT 3.18Å; T438-S440 VanDerWaalsContact C-N 3.32Å; T438-S440 PolarHBondContact O-N 3.41Å

Retrieved 440 of 440 residues in 1374.6 ms (Link to these results)

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