A0A087YJI8_POEFO Loading...

Synaptic vesicle glycoprotein 2Ca

AlphaFold DB , UniProt , Accession A0A087YJI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 741 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	S	46.1	Very low	42.5	Very low	152 Å²	152	117.2 Å²	117.2	100%	1.063	64%	0.644	S	S	*	*				0	-57.1	0	41.9	0	0	0	0	111.9	F3 S4	S1-F3 PolarHBondContact O-N 2.82Å; S1-S4 PolarHBondContact O-N 3.3Å
2	T	39.6	Very low	42.6	Very low	123 Å²	123	115.6 Å²	115.6	76%	0.755	63%	0.634	S	S	*	*	H	α-helix	trans	-58.9	-19.2	-168.3	-18.8	0	0	0	0	116.9
3	F	34.7	Very low	42.9	Very low	188 Å²	188	115.6 Å²	115.6	83%	0.825	63%	0.633	S	S	*	*	H	α-helix	trans	-85.6	-10.2	-177.6	-144.3	-91.9	0	0	0	114.5	S1	S1-F3 PolarHBondContact O-N 2.82Å
4	S	38.6	Very low	43.2	Very low	75 Å²	75	119.9 Å²	119.9	52%	0.524	64%	0.635	S	S	.	*	H	α-helix	trans	-85	-43.5	179.9	-160.7	0	0	0	0	112.3	S1 T6 M7 E8	S1-S4 PolarHBondContact O-N 3.3Å; S4-T6 PolarHBondContact O-N 2.79Å; S4-M7 WeakPolarHBondContact O-CB 3.35Å; S4-M7 PolarHBondContact O-N 3.23Å; S4-M7 VanDerWaalsContact O-N 3.08Å; S4-E8 PolarHBondContact O-N 2.99Å
5	A	42.2	Very low	44	Very low	52 Å²	52	116.7 Å²	116.7	43%	0.43	62%	0.622	S	S	.	*	H	α-helix	trans	-60.9	-42.8	-173.2	0	0	0	0	0	112.8	M7 E8 D9	A5-M7 PolarHBondContact O-N 3.27Å; A5-E8 PolarHBondContact O-N 3.31Å; A5-D9 PolarHBondContact O-N 3.35Å
6	T	45.3	Very low	44.7	Very low	85 Å²	85	113.4 Å²	113.4	52%	0.521	61%	0.611	S	S	.	*	H	α-helix	trans	-62.5	-26.2	177.8	47.3	0	0	0	0	113.3	S4 T10	S4-T6 PolarHBondContact O-N 2.79Å; T6-T10 WeakPolarHBondContact O-CB 3.15Å; T6-T10 PolarHBondContact O-N 2.99Å; T6-T10 PolarHBondContact O-OG1 2.88Å
7	M	40.9	Very low	45.1	Very low	145 Å²	145	114.3 Å²	114.3	71%	0.714	61%	0.614	S	S	*	*	H	α-helix	trans	-80.4	-39.9	178.5	-157	168.6	-172.4	0	0	111.4	S4 A5 T10 Y11	S4-M7 WeakPolarHBondContact O-CB 3.35Å; S4-M7 PolarHBondContact O-N 3.23Å; S4-M7 VanDerWaalsContact O-N 3.08Å; A5-M7 PolarHBondContact O-N 3.27Å; M7-T10 PolarHBondContact O-N 2.75Å; M7-Y11 PolarHBondContact O-N 3.03Å; M7-Y11 VanDerWaalsContact O-N 3.09Å
8	E	42	Very low	46.1	Very low	122 Å²	122	112.8 Å²	112.8	57%	0.57	61%	0.61	S	S	*	*	H	α-helix	trans	-67.1	-44.1	174.4	-69.5	-179.3	104.1	0	0	112.1	S4 A5 T10 Y11 N12	S4-E8 PolarHBondContact O-N 2.99Å; A5-E8 PolarHBondContact O-N 3.31Å; E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 3.17Å; E8-Y11 PolarHBondContact O-N 2.79Å; E8-Y11 VanDerWaalsContact O-N 3.13Å; E8-N12 WeakPolarHBondContact O-CB 3.24Å; E8-N12 PolarHBondContact O-N 2.72Å; E8-N12 PolarHBondContact O-ND2 3.08Å
9	D	45.3	Very low	46.8	Very low	107 Å²	107	114.5 Å²	114.5	57%	0.572	61%	0.611	S	S	*	*	H	α-helix	trans	-59.5	-42	175.3	-78.1	-30	0	0	0	111.8	A5 Y11 N12 N13	A5-D9 PolarHBondContact O-N 3.35Å; D9-Y11 VanDerWaalsContact C-N 3.31Å; D9-Y11 PolarHBondContact O-N 2.88Å; D9-N12 PolarHBondContact O-N 3.48Å; D9-N13 WeakPolarHBondContact O-CB 2.94Å; D9-N13 PolarHBondContact O-N 3.44Å
10	T	45.8	Very low	47.7	Very low	74 Å²	74	110.5 Å²	110.5	45%	0.454	60%	0.598	S	S	.	*	H	α-helix	trans	-64.6	-36.1	176.6	-58.6	0	0	0	0	111.8	T6 M7 E8 R14	T6-T10 WeakPolarHBondContact O-CB 3.15Å; T6-T10 PolarHBondContact O-N 2.99Å; T6-T10 PolarHBondContact O-OG1 2.88Å; M7-T10 PolarHBondContact O-N 2.75Å; E8-T10 VanDerWaalsContact C-N 3.31Å; E8-T10 PolarHBondContact O-N 3.17Å; T10-R14 WeakPolarHBondContact O-CG 3.35Å; T10-R14 PolarHBondContact O-N 3.09Å
11	Y	46.4	Very low	48.1	Very low	166 Å²	166	107.2 Å²	107.2	65%	0.651	59%	0.586	S	S	*	*	H	α-helix	trans	-72.5	-42.1	177.7	-156.1	-94.2	0	0	0	112	M7 E8 D9 N13 R14 T15	M7-Y11 PolarHBondContact O-N 3.03Å; M7-Y11 VanDerWaalsContact O-N 3.09Å; E8-Y11 PolarHBondContact O-N 2.79Å; E8-Y11 VanDerWaalsContact O-N 3.13Å; D9-Y11 VanDerWaalsContact C-N 3.31Å; D9-Y11 PolarHBondContact O-N 2.88Å; Y11-N13 PolarHBondContact O-N 3.05Å; Y11-R14 PolarHBondContact O-N 2.82Å; Y11-T15 HydrophobicContact CD1-CG2 4.26Å; Y11-T15 HydrophobicContact CE1-CG2 4.16Å; Y11-T15 PolarHBondContact O-N 3.23Å
12	N	43.8	Very low	48.6	Very low	98 Å²	98	107.1 Å²	107.1	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-63	-39.7	175	-75.5	-35.8	0	0	0	112.3	E8 D9 R14 T15 S16	E8-N12 WeakPolarHBondContact O-CB 3.24Å; E8-N12 PolarHBondContact O-N 2.72Å; E8-N12 PolarHBondContact O-ND2 3.08Å; D9-N12 PolarHBondContact O-N 3.48Å; N12-R14 VanDerWaalsContact C-N 3.34Å; N12-R14 PolarHBondContact O-N 3.14Å; N12-T15 PolarHBondContact O-N 2.87Å; N12-T15 PolarHBondContact O-OG1 2.91Å; N12-T15 VanDerWaalsContact O-OG1 3.1Å; N12-S16 PolarHBondContact O-N 2.68Å; N12-S16 PolarHBondContact O-OG 3.3Å
13	N	47.5	Very low	49.9	Very low	116 Å²	116	105 Å²	105	62%	0.62	55%	0.55	S	S	*	*	H	α-helix	trans	-67.5	-32.2	174.6	-112.9	-20.7	0	0	0	112.9	D9 Y11 S16 L17	D9-N13 WeakPolarHBondContact O-CB 2.94Å; D9-N13 PolarHBondContact O-N 3.44Å; Y11-N13 PolarHBondContact O-N 3.05Å; N13-S16 PolarHBondContact O-OG 3.29Å; N13-L17 WeakPolarHBondContact O-CB 3.23Å; N13-L17 PolarHBondContact O-N 2.96Å
14	R	46.1	Very low	50.9	Low	176 Å²	176	102.5 Å²	102.5	66%	0.664	54%	0.543	S	S	*	.	H	α-helix	trans	-69.1	-40.9	173.6	-74.8	174.4	177.2	-165.2	-1.3	111.9	T10 Y11 N12 V18	T10-R14 WeakPolarHBondContact O-CG 3.35Å; T10-R14 PolarHBondContact O-N 3.09Å; Y11-R14 PolarHBondContact O-N 2.82Å; N12-R14 VanDerWaalsContact C-N 3.34Å; N12-R14 PolarHBondContact O-N 3.14Å; R14-V18 WeakPolarHBondContact O-CG2 3.39Å; R14-V18 PolarHBondContact O-N 3.04Å; R14-V18 VanDerWaalsContact O-N 3.11Å
15	T	56	Low	52.2	Low	72 Å²	72	103 Å²	103	44%	0.442	54%	0.543	S	S	.	.	H	α-helix	trans	-72.5	-33.2	178.8	60.8	0	0	0	0	113.2	Y11 N12 K19	Y11-T15 HydrophobicContact CD1-CG2 4.26Å; Y11-T15 HydrophobicContact CE1-CG2 4.16Å; Y11-T15 PolarHBondContact O-N 3.23Å; N12-T15 PolarHBondContact O-N 2.87Å; N12-T15 PolarHBondContact O-OG1 2.91Å; N12-T15 VanDerWaalsContact O-OG1 3.1Å; T15-K19 WeakPolarHBondContact O-CB 3.4Å; T15-K19 PolarHBondContact O-N 3.43Å
16	S	54.3	Low	53.2	Low	63 Å²	63	106.5 Å²	106.5	44%	0.441	55%	0.548	S	S	.	.	H	α-helix	trans	-65.1	-43.2	173.3	70.8	0	0	0	0	112	N12 N13 K19 G20	N12-S16 PolarHBondContact O-N 2.68Å; N12-S16 PolarHBondContact O-OG 3.3Å; N13-S16 PolarHBondContact O-OG 3.29Å; S16-K19 WeakPolarHBondContact O-CB 3.18Å; S16-K19 PolarHBondContact O-N 3.49Å; S16-G20 PolarHBondContact O-N 2.96Å
17	L	52.5	Low	54	Low	129 Å²	129	106.5 Å²	106.5	68%	0.675	54%	0.542	S	S	*	.	H	α-helix	trans	-66.6	-42.1	179.4	-147.7	166.7	0	0	0	111.5	N13 K19 G20 A21	N13-L17 WeakPolarHBondContact O-CB 3.23Å; N13-L17 PolarHBondContact O-N 2.96Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.18Å; L17-G20 PolarHBondContact O-N 3.27Å; L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 2.98Å
18	V	61.9	Low	54.8	Low	88 Å²	88	102.1 Å²	102.1	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-34.5	172.8	169.2	0	0	0	0	112.2	R14 K22	R14-V18 WeakPolarHBondContact O-CG2 3.39Å; R14-V18 PolarHBondContact O-N 3.04Å; R14-V18 VanDerWaalsContact O-N 3.11Å; V18-K22 PolarHBondContact O-N 3.27Å; V18-K22 VanDerWaalsContact O-N 3.1Å
19	K	60.4	Low	55.7	Low	144 Å²	144	103.6 Å²	103.6	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-68.2	-47.7	174.8	-168.7	177.5	-179.9	-176.9	0	111.2	T15 S16 L17 A21 K22 D23	T15-K19 WeakPolarHBondContact O-CB 3.4Å; T15-K19 PolarHBondContact O-N 3.43Å; S16-K19 WeakPolarHBondContact O-CB 3.18Å; S16-K19 PolarHBondContact O-N 3.49Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.18Å; K19-A21 VanDerWaalsContact C-N 3.33Å; K19-A21 PolarHBondContact O-N 3.42Å; K19-K22 PolarHBondContact O-N 3.46Å; K19-K22 VanDerWaalsContact O-N 3.13Å; K19-D23 PolarHBondContact O-N 2.83Å
20	G	63.9	Low	56.7	Low	35 Å²	35	105.6 Å²	105.6	36%	0.361	53%	0.533	S	S	.	.	H	α-helix	trans	-57.1	-43	174.3	0	0	0	0	0	112.8	S16 L17 K22 D23 M24	S16-G20 PolarHBondContact O-N 2.96Å; L17-G20 PolarHBondContact O-N 3.27Å; G20-K22 PolarHBondContact O-N 3.04Å; G20-D23 PolarHBondContact O-N 3.39Å; G20-M24 WeakPolarHBondContact O-CG 3.48Å; G20-M24 PolarHBondContact O-N 2.82Å
21	A	56	Low	57.3	Low	41 Å²	41	107.9 Å²	107.9	34%	0.339	54%	0.539	S	S	.	.	H	α-helix	trans	-61.4	-41.9	174.6	0	0	0	0	0	112.7	L17 K19 M24 V25	L17-A21 WeakPolarHBondContact O-CB 3.46Å; L17-A21 PolarHBondContact O-N 2.98Å; K19-A21 VanDerWaalsContact C-N 3.33Å; K19-A21 PolarHBondContact O-N 3.42Å; A21-M24 PolarHBondContact O-N 3.45Å; A21-V25 WeakPolarHBondContact O-CG2 3.37Å; A21-V25 PolarHBondContact O-N 3.37Å
22	K	58.4	Low	57.9	Low	150 Å²	150	104.2 Å²	104.2	65%	0.652	53%	0.533	S	S	*	.	H	α-helix	trans	-63.8	-41.4	175.2	-81.7	-178.3	174.1	178.5	0	112.6	V18 K19 G20 V25 K26	V18-K22 PolarHBondContact O-N 3.27Å; V18-K22 VanDerWaalsContact O-N 3.1Å; K19-K22 PolarHBondContact O-N 3.46Å; K19-K22 VanDerWaalsContact O-N 3.13Å; G20-K22 PolarHBondContact O-N 3.04Å; K22-V25 PolarHBondContact O-N 3.4Å; K22-K26 WeakPolarHBondContact O-CB 3.25Å; K22-K26 PolarHBondContact O-N 3.35Å
23	D	64.9	Low	58.6	Low	78 Å²	78	101.9 Å²	101.9	42%	0.417	53%	0.528	S	S	.	.	H	α-helix	trans	-71.1	-37.3	178.4	-72.4	-40.4	0	0	0	111.7	K19 G20 V25 K26 E27	K19-D23 PolarHBondContact O-N 2.83Å; G20-D23 PolarHBondContact O-N 3.39Å; D23-V25 PolarHBondContact O-N 2.95Å; D23-K26 WeakPolarHBondContact O-CB 3.39Å; D23-K26 PolarHBondContact O-N 3.48Å; D23-E27 PolarHBondContact O-N 2.99Å
24	M	55.9	Low	59.3	Low	137 Å²	137	103.7 Å²	103.7	68%	0.675	53%	0.53	S	S	*	.	H	α-helix	trans	-59.9	-43.6	169.6	-72.9	-166.6	-60.9	0	0	112.6	G20 A21 K26 E27 A28	G20-M24 WeakPolarHBondContact O-CG 3.48Å; G20-M24 PolarHBondContact O-N 2.82Å; A21-M24 PolarHBondContact O-N 3.45Å; M24-K26 VanDerWaalsContact C-N 3.28Å; M24-K26 PolarHBondContact O-N 2.85Å; M24-E27 PolarHBondContact O-N 3.24Å; M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.47Å; M24-A28 PolarHBondContact O-N 3.39Å
25	V	65.7	Low	59.9	Low	85 Å²	85	103 Å²	103	52%	0.515	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-33.7	175.9	168.6	0	0	0	0	111.7	A21 K22 D23 K29	A21-V25 WeakPolarHBondContact O-CG2 3.37Å; A21-V25 PolarHBondContact O-N 3.37Å; K22-V25 PolarHBondContact O-N 3.4Å; D23-V25 PolarHBondContact O-N 2.95Å; V25-K29 WeakPolarHBondContact O-CB 3.26Å; V25-K29 WeakPolarHBondContact O-CG 3.42Å; V25-K29 PolarHBondContact O-N 2.91Å
26	K	64.3	Low	59.9	Low	125 Å²	125	103.4 Å²	103.4	54%	0.543	53%	0.534	S	S	.	.	H	α-helix	trans	-69.9	-41.1	176.6	-171.4	179.5	179.3	-175.8	0	111.9	K22 D23 M24 K29 R30	K22-K26 WeakPolarHBondContact O-CB 3.25Å; K22-K26 PolarHBondContact O-N 3.35Å; D23-K26 WeakPolarHBondContact O-CB 3.39Å; D23-K26 PolarHBondContact O-N 3.48Å; M24-K26 VanDerWaalsContact C-N 3.28Å; M24-K26 PolarHBondContact O-N 2.85Å; K26-K29 PolarHBondContact O-N 3.24Å; K26-R30 PolarHBondContact O-N 3.34Å
27	E	60.9	Low	60	Low	86 Å²	86	105 Å²	105	40%	0.402	54%	0.538	S	S	.	.	H	α-helix	trans	-70.7	-40.1	174.7	-139.8	61.9	-117	0	0	111.3	D23 M24 K29 R30 H31	D23-E27 PolarHBondContact O-N 2.99Å; M24-E27 PolarHBondContact O-N 3.24Å; E27-K29 PolarHBondContact O-N 2.99Å; E27-R30 WeakPolarHBondContact O-CB 3.46Å; E27-R30 PolarHBondContact O-N 2.69Å; E27-R30 VanDerWaalsContact O-N 3.12Å; E27-R30 WeakPolarHBondContact OE1-CD 3.44Å; E27-R30 IonicContact OE1-NH1 3.42Å; E27-R30 PolarHBondContact OE1-NH1 2.68Å; E27-R30 VanDerWaalsContact OE1-NH1 3.14Å; E27-R30 IonicContact OE2-NH1 2.79Å; E27-H31 PolarHBondContact O-CD2 2.94Å; E27-H31 PolarHBondContact O-N 3.48Å
28	A	57.8	Low	59.9	Low	53 Å²	53	106.5 Å²	106.5	44%	0.438	54%	0.539	S	S	.	.	H	α-helix	trans	-58.3	-45.4	171.9	0	0	0	0	0	111.7	M24 R30 H31 T32	M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.47Å; M24-A28 PolarHBondContact O-N 3.39Å; A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 2.81Å; A28-H31 PolarHBondContact O-N 2.73Å; A28-T32 PolarHBondContact O-N 2.85Å; A28-T32 PolarHBondContact O-OG1 2.98Å; A28-T32 VanDerWaalsContact O-OG1 3.13Å
29	K	62.6	Low	59.8	Low	153 Å²	153	107 Å²	107	67%	0.665	54%	0.542	S	S	*	.	H	α-helix	trans	-61.3	-37.7	173.8	-78.9	-173.5	176.5	-170.8	0	112.7	V25 K26 E27 A33	V25-K29 WeakPolarHBondContact O-CB 3.26Å; V25-K29 WeakPolarHBondContact O-CG 3.42Å; V25-K29 PolarHBondContact O-N 2.91Å; K26-K29 PolarHBondContact O-N 3.24Å; E27-K29 PolarHBondContact O-N 2.99Å; K29-A33 VanDerWaalsContact O-CB 3.31Å; K29-A33 WeakPolarHBondContact O-CB 3.48Å; K29-A33 PolarHBondContact O-N 3.13Å
30	R	64.9	Low	59.7	Low	148 Å²	148	104.3 Å²	104.3	56%	0.558	54%	0.537	S	S	*	.	H	α-helix	trans	-65.1	-42.5	172.6	-83.2	174.8	157.3	-176	-5	112.8	K26 E27 A28 A33 K34	K26-R30 PolarHBondContact O-N 3.34Å; E27-R30 WeakPolarHBondContact O-CB 3.46Å; E27-R30 PolarHBondContact O-N 2.69Å; E27-R30 VanDerWaalsContact O-N 3.12Å; E27-R30 WeakPolarHBondContact OE1-CD 3.44Å; E27-R30 IonicContact OE1-NH1 3.42Å; E27-R30 PolarHBondContact OE1-NH1 2.68Å; E27-R30 VanDerWaalsContact OE1-NH1 3.14Å; E27-R30 IonicContact OE2-NH1 2.79Å; A28-R30 VanDerWaalsContact C-N 3.33Å; A28-R30 PolarHBondContact O-N 2.81Å; R30-A33 PolarHBondContact O-N 2.92Å; R30-K34 WeakPolarHBondContact O-CB 3.44Å; R30-K34 WeakPolarHBondContact O-CG 3.39Å; R30-K34 PolarHBondContact O-N 3.15Å
31	H	59.9	Low	59.1	Low	123 Å²	123	107.1 Å²	107.1	57%	0.569	54%	0.544	S	S	*	.	H	α-helix	trans	-65.3	-43.3	176.5	-86.8	-106.1	0	0	0	111.4	E27 A28 K34 K35	E27-H31 PolarHBondContact O-CD2 2.94Å; E27-H31 PolarHBondContact O-N 3.48Å; A28-H31 PolarHBondContact O-N 2.73Å; H31-K34 PolarHBondContact O-N 3.1Å; H31-K35 WeakPolarHBondContact O-CB 3.49Å; H31-K35 PolarHBondContact O-N 3.28Å
32	T	58.4	Low	58.6	Low	88 Å²	88	113.3 Å²	113.3	54%	0.54	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-46.2	173.7	-59.5	0	0	0	0	111.6	A28 K34 K35 V36	A28-T32 PolarHBondContact O-N 2.85Å; A28-T32 PolarHBondContact O-OG1 2.98Å; A28-T32 VanDerWaalsContact O-OG1 3.13Å; T32-K34 PolarHBondContact O-N 3.44Å; T32-K35 CarbonylContact O-C 3.58Å; T32-K35 WeakPolarHBondContact O-CB 3.23Å; T32-K35 PolarHBondContact O-N 3.3Å; T32-V36 HydrophobicContact CG2-CG2 4.32Å; T32-V36 WeakPolarHBondContact O-CG2 3.18Å; T32-V36 PolarHBondContact O-N 2.99Å
33	A	57.5	Low	58	Low	50 Å²	50	108.5 Å²	108.5	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-60	-44.5	176.7	0	0	0	0	0	112.4	K29 R30 K35 V36 N37	K29-A33 VanDerWaalsContact O-CB 3.31Å; K29-A33 WeakPolarHBondContact O-CB 3.48Å; K29-A33 PolarHBondContact O-N 3.13Å; R30-A33 PolarHBondContact O-N 2.92Å; A33-K35 VanDerWaalsContact C-N 3.28Å; A33-K35 PolarHBondContact O-N 3.31Å; A33-V36 PolarHBondContact O-N 2.8Å; A33-N37 PolarHBondContact O-N 3.12Å; A33-N37 PolarHBondContact O-OD1 2.67Å
34	K	61.8	Low	57	Low	153 Å²	153	107.4 Å²	107.4	67%	0.665	55%	0.549	S	S	*	.	H	α-helix	trans	-60.6	-36.1	172.7	-76.9	-178.9	175.4	-178.9	0	112.7	R30 H31 T32 K38	R30-K34 WeakPolarHBondContact O-CB 3.44Å; R30-K34 WeakPolarHBondContact O-CG 3.39Å; R30-K34 PolarHBondContact O-N 3.15Å; H31-K34 PolarHBondContact O-N 3.1Å; T32-K34 PolarHBondContact O-N 3.44Å; K34-K38 WeakPolarHBondContact O-CB 3.27Å; K34-K38 PolarHBondContact O-N 2.93Å; K34-K38 VanDerWaalsContact O-N 3.15Å
35	K	59.8	Low	56.4	Low	163 Å²	163	106.2 Å²	106.2	71%	0.709	55%	0.545	S	S	*	.	H	α-helix	trans	-72.7	-38.4	178.5	-148.5	178.8	-172.5	-173.5	0	111.8	H31 T32 A33 V39	H31-K35 WeakPolarHBondContact O-CB 3.49Å; H31-K35 PolarHBondContact O-N 3.28Å; T32-K35 CarbonylContact O-C 3.58Å; T32-K35 WeakPolarHBondContact O-CB 3.23Å; T32-K35 PolarHBondContact O-N 3.3Å; A33-K35 VanDerWaalsContact C-N 3.28Å; A33-K35 PolarHBondContact O-N 3.31Å; K35-V39 WeakPolarHBondContact O-CG2 3.47Å; K35-V39 PolarHBondContact O-N 2.94Å
36	V	56.7	Low	55.4	Low	79 Å²	79	107.6 Å²	107.6	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-50.5	174.9	170.3	0	0	0	0	110.8	T32 A33 K38 V39 V40	T32-V36 HydrophobicContact CG2-CG2 4.32Å; T32-V36 WeakPolarHBondContact O-CG2 3.18Å; T32-V36 PolarHBondContact O-N 2.99Å; A33-V36 PolarHBondContact O-N 2.8Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.39Å; V36-V39 WeakPolarHBondContact O-CA 3.38Å; V36-V39 WeakPolarHBondContact O-CB 3.46Å; V36-V39 PolarHBondContact O-N 2.84Å; V36-V40 HydrophobicContact CG1-CG2 4.34Å; V36-V40 WeakPolarHBondContact O-CG2 3.41Å; V36-V40 PolarHBondContact O-N 2.93Å
37	N	54.7	Low	54.3	Low	97 Å²	97	111.3 Å²	111.3	52%	0.519	56%	0.558	S	S	.	*	H	α-helix	trans	-55.2	-48.1	175.8	-76.5	38.7	0	0	0	111	A33 V39 V40 D41	A33-N37 PolarHBondContact O-N 3.12Å; A33-N37 PolarHBondContact O-OD1 2.67Å; N37-V39 PolarHBondContact O-N 3.25Å; N37-V39 VanDerWaalsContact O-N 3.08Å; N37-V40 CarbonylContact O-C 3.5Å; N37-V40 WeakPolarHBondContact O-CA 3.47Å; N37-V40 PolarHBondContact O-N 3.34Å; N37-D41 PolarHBondContact O-N 2.77Å; N37-D41 VanDerWaalsContact O-OD2 3.1Å
38	K	51.3	Low	53.3	Low	161 Å²	161	110.9 Å²	110.9	70%	0.7	57%	0.565	S	S	*	*	H	α-helix	trans	-64.7	-14.9	178.2	-166.8	167.7	-176.1	177	0	114.7	K34 V36 R42	K34-K38 WeakPolarHBondContact O-CB 3.27Å; K34-K38 PolarHBondContact O-N 2.93Å; K34-K38 VanDerWaalsContact O-N 3.15Å; V36-K38 VanDerWaalsContact C-N 3.32Å; V36-K38 PolarHBondContact O-N 3.39Å; K38-R42 WeakPolarHBondContact O-CB 3.36Å
39	V	58.9	Low	52.3	Low	97 Å²	97	112.1 Å²	112.1	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-88.5	-38.3	169.4	168.6	0	0	0	0	111.1	K35 V36 N37 R42 A43	K35-V39 WeakPolarHBondContact O-CG2 3.47Å; K35-V39 PolarHBondContact O-N 2.94Å; V36-V39 WeakPolarHBondContact O-CA 3.38Å; V36-V39 WeakPolarHBondContact O-CB 3.46Å; V36-V39 PolarHBondContact O-N 2.84Å; N37-V39 PolarHBondContact O-N 3.25Å; N37-V39 VanDerWaalsContact O-N 3.08Å; V39-R42 PolarHBondContact O-N 3Å; V39-A43 WeakPolarHBondContact O-CB 3.13Å; V39-A43 PolarHBondContact O-N 2.64Å
40	V	59.7	Low	51.1	Low	89 Å²	89	112.2 Å²	112.2	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-65.1	-44.9	174.5	173.6	0	0	0	0	111.4	V36 N37 R42 A43 A44	V36-V40 HydrophobicContact CG1-CG2 4.34Å; V36-V40 WeakPolarHBondContact O-CG2 3.41Å; V36-V40 PolarHBondContact O-N 2.93Å; N37-V40 CarbonylContact O-C 3.5Å; N37-V40 WeakPolarHBondContact O-CA 3.47Å; N37-V40 PolarHBondContact O-N 3.34Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.37Å; V40-A43 PolarHBondContact O-N 2.69Å; V40-A44 PolarHBondContact O-N 3.45Å
41	D	50.9	Low	49.5	Very low	93 Å²	93	115.5 Å²	115.5	50%	0.497	59%	0.585	S	S	.	*	H	α-helix	trans	-57	-48.4	175.3	-57.5	-31.5	0	0	0	110	N37 A43 A44 D45	N37-D41 PolarHBondContact O-N 2.77Å; N37-D41 VanDerWaalsContact O-OD2 3.1Å; D41-A43 PolarHBondContact O-N 3.05Å; D41-A44 WeakPolarHBondContact O-CB 3.27Å; D41-A44 PolarHBondContact O-N 3.48Å; D41-A44 VanDerWaalsContact O-N 3.16Å; D41-D45 PolarHBondContact O-N 3.15Å
42	R	44.4	Very low	48.2	Very low	171 Å²	171	117 Å²	117	65%	0.645	60%	0.597	S	S	*	*	H	α-helix	trans	-65.8	-36.6	179	-172.8	176	-177.7	160.4	6.2	113.1	K38 V39 V40 A44 D45 E46	K38-R42 WeakPolarHBondContact O-CB 3.36Å; V39-R42 PolarHBondContact O-N 3Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.37Å; R42-A44 VanDerWaalsContact C-N 3.32Å; R42-D45 PolarHBondContact O-N 3.44Å; R42-E46 IonicContact NE-OE1 3.14Å; R42-E46 PolarHBondContact O-N 3.28Å
43	A	46.2	Very low	46.9	Very low	49 Å²	49	123 Å²	123	41%	0.405	61%	0.612	S	S	.	*	H	α-helix	trans	-67.7	-33.7	174.2	0	0	0	0	0	111.7	V39 V40 D41 E46 Y47	V39-A43 WeakPolarHBondContact O-CB 3.13Å; V39-A43 PolarHBondContact O-N 2.64Å; V40-A43 PolarHBondContact O-N 2.69Å; D41-A43 PolarHBondContact O-N 3.05Å; A43-E46 PolarHBondContact O-N 2.91Å; A43-Y47 WeakPolarHBondContact O-CB 3.29Å; A43-Y47 PolarHBondContact O-N 3.02Å
44	A	44.3	Very low	45.6	Very low	56 Å²	56	126.8 Å²	126.8	46%	0.463	63%	0.629	S	S	.	*	H	α-helix	trans	-70.4	-36.8	174.3	0	0	0	0	0	112.6	V40 D41 R42 Y47 S48	V40-A44 PolarHBondContact O-N 3.45Å; D41-A44 WeakPolarHBondContact O-CB 3.27Å; D41-A44 PolarHBondContact O-N 3.48Å; D41-A44 VanDerWaalsContact O-N 3.16Å; R42-A44 VanDerWaalsContact C-N 3.32Å; A44-Y47 PolarHBondContact O-N 3.41Å; A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3.36Å; A44-S48 PolarHBondContact O-OG 2.93Å
45	D	43.4	Very low	44.1	Very low	111 Å²	111	130.2 Å²	130.2	59%	0.594	64%	0.638	S	S	*	*	H	α-helix	trans	-62.6	-45.4	171.2	-70.3	-25.7	0	0	0	111.2	D41 R42 S48 S49	D41-D45 PolarHBondContact O-N 3.15Å; R42-D45 PolarHBondContact O-N 3.44Å; D45-S48 PolarHBondContact O-N 3.13Å; D45-S48 PolarHBondContact O-OG 3.39Å; D45-S48 VanDerWaalsContact O-OG 3.05Å; D45-S49 WeakPolarHBondContact O-CB 3.25Å; D45-S49 PolarHBondContact O-N 3.5Å
46	E	45.8	Very low	42.6	Very low	115 Å²	115	132 Å²	132	54%	0.537	65%	0.646	S	S	.	*	H	α-helix	trans	-63.9	-44	175.8	-76.6	171.1	-178.4	0	0	111.6	R42 A43 S48 S49 H50	R42-E46 IonicContact NE-OE1 3.14Å; R42-E46 PolarHBondContact O-N 3.28Å; A43-E46 PolarHBondContact O-N 2.91Å; E46-S48 VanDerWaalsContact C-N 3.33Å; E46-S48 PolarHBondContact O-N 2.93Å; E46-S49 PolarHBondContact O-N 2.91Å; E46-S49 PolarHBondContact O-OG 3.01Å; E46-H50 PolarHBondContact O-N 3.32Å
47	Y	40.3	Very low	41.2	Very low	202 Å²	202	136.1 Å²	136.1	79%	0.792	66%	0.66	S	S	*	*	H	α-helix	trans	-67.3	-30.6	179.7	-136.4	-93.5	0	0	0	113.6	A43 A44	A43-Y47 WeakPolarHBondContact O-CB 3.29Å; A43-Y47 PolarHBondContact O-N 3.02Å; A44-Y47 PolarHBondContact O-N 3.41Å
48	S	39.8	Very low	39.8	Very low	78 Å²	78	138 Å²	138	55%	0.545	67%	0.67	S	S	.	*	H	α-helix	trans	-79.3	-32.3	175.1	56.3	0	0	0	0	112.5	A44 D45 E46 H50	A44-S48 WeakPolarHBondContact O-CB 3.46Å; A44-S48 PolarHBondContact O-N 3.36Å; A44-S48 PolarHBondContact O-OG 2.93Å; D45-S48 PolarHBondContact O-N 3.13Å; D45-S48 PolarHBondContact O-OG 3.39Å; D45-S48 VanDerWaalsContact O-OG 3.05Å; E46-S48 VanDerWaalsContact C-N 3.33Å; E46-S48 PolarHBondContact O-N 2.93Å; S48-H50 VanDerWaalsContact C-N 3.3Å; S48-H50 PolarHBondContact O-N 3.35Å
49	S	37	Very low	38.6	Very low	78 Å²	78	139.1 Å²	139.1	55%	0.545	68%	0.678	S	S	.	*	H	α-helix	trans	-61	-37.8	173.2	80.1	0	0	0	0	112.9	D45 E46 R51	D45-S49 WeakPolarHBondContact O-CB 3.25Å; D45-S49 PolarHBondContact O-N 3.5Å; E46-S49 PolarHBondContact O-N 2.91Å; E46-S49 PolarHBondContact O-OG 3.01Å; S49-R51 VanDerWaalsContact C-N 3.25Å; S49-R51 PolarHBondContact O-N 2.96Å
50	H	38.1	Very low	37	Very low	155 Å²	155	144 Å²	144	72%	0.718	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-72.8	-14.9	-171	-143.1	-35	0	0	0	114.1	E46 S48	E46-H50 PolarHBondContact O-N 3.32Å; S48-H50 VanDerWaalsContact C-N 3.3Å; S48-H50 PolarHBondContact O-N 3.35Å
51	R	31.6	Very low	35.4	Very low	217 Å²	217	147.2 Å²	147.2	82%	0.819	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-85.8	-4.1	-173.7	-159.7	172.6	-178.9	-179.7	1	114.5	S49	S49-R51 VanDerWaalsContact C-N 3.25Å; S49-R51 PolarHBondContact O-N 2.96Å
52	N	31.3	Very low	34.3	Very low	154 Å²	154	151.5 Å²	151.5	82%	0.824	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-98.4	6.8	-174.4	-105.9	10.1	0	0	0	115.2
53	Y	31.8	Very low	33.4	Very low	216 Å²	216	150 Å²	150	85%	0.847	73%	0.73	S	S	*	*	S	Bend	trans	-122.6	7.4	-171.5	-106.2	-80.9	0	0	0	116.2
54	T	29.8	Very low	32.5	Very low	128 Å²	128	156 Å²	156	79%	0.785	75%	0.75	S	S	*	*			trans	-120.5	71.7	179.4	42.9	0	0	0	0	112
55	R	30.4	Very low	31.6	Very low	226 Å²	226	159.7 Å²	159.7	85%	0.853	76%	0.762	S	S	*	*			trans	-155.2	83.7	164.6	-169.2	-179.2	-172.9	165.8	5.3	112.4
56	F	28.2	Very low	30.7	Very low	199 Å²	199	162.5 Å²	162.5	87%	0.873	77%	0.769	S	S	*	*			trans	-179.1	147.9	139.4	-95	-63.7	0	0	0	106.7
57	Q	26.7	Very low	29.7	Very low	167 Å²	167	166.3 Å²	166.3	78%	0.78	78%	0.78	S	S	*	*			trans	68.6	124.4	-176.3	-57.4	-165.4	-91	0	0	116.6
58	D	25.8	Very low	28.9	Very low	136 Å²	136	165.7 Å²	165.7	73%	0.727	78%	0.784	S	S	*	*			cis	-124.8	-127.3	-23.6	-87	-52.4	0	0	0	108
59	E	26	Very low	28.1	Very low	185 Å²	185	169.2 Å²	169.2	86%	0.864	79%	0.792	S	S	*	*			cis	-164.3	115.3	-0.3	-169.5	169.5	-123	0	0	106.9
60	E	25.9	Very low	27.4	Very low	200 Å²	200	171.7 Å²	171.7	94%	0.935	79%	0.794	S	S	*	*			trans	-158.2	137.4	175.7	-126.5	164.9	-142	0	0	111.2
61	D	26.6	Very low	26.7	Very low	156 Å²	156	173.1 Å²	173.1	83%	0.834	80%	0.799	S	S	*	*			trans	-89.9	165.3	-167.9	-52	-90.6	0	0	0	115.3
62	E	26.8	Very low	26.2	Very low	182 Å²	182	166.5 Å²	166.5	85%	0.85	80%	0.798	S	S	*	*				-175.4	157.1	123.8	-102.1	171.7	178.6	0	0	113.9
63	D	26.2	Very low	25.8	Very low	140 Å²	140	167.5 Å²	167.5	75%	0.749	80%	0.798	S	S	*	*			trans	69.5	101	158.5	-63.7	-5	0	0	0	124.8
64	E	26.7	Very low	25.4	Very low	175 Å²	175	166 Å²	166	82%	0.818	80%	0.799	S	S	*	*				60.5	104.5	119.7	-75.2	-162.6	170.7	0	0	124.2
65	D	25.5	Very low	25.1	Very low	134 Å²	134	163.8 Å²	163.8	72%	0.717	80%	0.801	S	S	*	*				98.8	149.5	106.3	-135.8	12.2	0	0	0	123.9
66	F	25.5	Very low	24.8	Very low	170 Å²	170	162.2 Å²	162.2	75%	0.746	80%	0.803	S	S	*	*			trans	76.6	140	164.5	-96.1	-89.1	0	0	0	126
67	Y	23.2	Very low	24.6	Very low	195 Å²	195	157.8 Å²	157.8	77%	0.765	80%	0.797	S	S	*	*			trans	-67.7	149.1	173.9	-63	-107.9	0	0	0	113.9
68	H	24.4	Very low	24.5	Very low	188 Å²	188	154.7 Å²	154.7	87%	0.87	79%	0.793	S	S	*	*				-173.7	176.7	94.3	-122.2	-87	0	0	0	115.8
69	H	23	Very low	24.4	Very low	153 Å²	153	158.5 Å²	158.5	71%	0.708	80%	0.797	S	S	*	*			trans	-116.4	139.8	-167.4	-170.3	23.8	0	0	0	112.7
70	Q	22.5	Very low	24.5	Very low	129 Å²	129	155.1 Å²	155.1	60%	0.603	78%	0.784	S	S	*	*			trans	82.9	139	150.6	-113.2	-171.4	29.5	0	0	122.6
71	K	22.7	Very low	24.7	Very low	185 Å²	185	152.1 Å²	152.1	80%	0.804	78%	0.775	S	S	*	*			trans	69.5	136.8	149.8	-75	165.4	176.6	150.6	0	121.1
72	G	22.2	Very low	25	Very low	79 Å²	79	152.7 Å²	152.7	81%	0.814	77%	0.773	S	S	*	*			trans	157.3	91.8	153.6	0	0	0	0	0	116.7
73	H	22.2	Very low	25.2	Very low	174 Å²	174	153.2 Å²	153.2	81%	0.806	78%	0.775	S	S	*	*			trans	-33.9	169.1	172.5	-95.7	-22.5	0	0	0	122.7
74	E	23.1	Very low	25.4	Very low	186 Å²	186	150.3 Å²	150.3	87%	0.869	78%	0.778	S	S	*	*			trans	80.7	139.5	150.2	-76.9	158	-136.9	0	0	120.6
75	G	24.1	Very low	25.6	Very low	81 Å²	81	147.6 Å²	147.6	84%	0.835	78%	0.779	S	S	*	*			trans	144.3	91.8	176.2	0	0	0	0	0	114.9
76	E	23.8	Very low	26.1	Very low	193 Å²	193	146.4 Å²	146.4	90%	0.902	78%	0.781	S	S	*	*			trans	-66.1	156	176.8	-54.8	167.4	100.9	0	0	112
77	S	23.1	Very low	26.3	Very low	105 Å²	105	145.8 Å²	145.8	73%	0.734	79%	0.785	S	S	*	*				172.5	158.6	64.1	43.3	0	0	0	0	113.4
78	C	24.4	Very low	27	Very low	103 Å²	103	140.8 Å²	140.8	70%	0.696	78%	0.784	S	S	*	*			trans	58.7	112.8	155.4	-67.2	0	0	0	0	120.6
79	R	25.2	Very low	27.6	Very low	216 Å²	216	138 Å²	138	82%	0.815	78%	0.781	S	S	*	*				106.9	147.5	84.4	-82.9	-171.1	134	132.1	4.9	110.7
80	D	28.3	Very low	28	Very low	113 Å²	113	139.8 Å²	139.8	60%	0.604	79%	0.789	S	S	*	*			cis	-156.8	153.3	-12.7	-98.1	-21.7	0	0	0	107.9
81	N	29.4	Very low	28.4	Very low	137 Å²	137	136.9 Å²	136.9	73%	0.733	79%	0.794	S	S	*	*			trans	65.6	157.2	166.7	-63	16.9	0	0	0	118
82	E	32.3	Very low	28.8	Very low	169 Å²	169	135.9 Å²	135.9	79%	0.79	79%	0.791	S	S	*	*			cis	-140.2	-179.8	7.6	-146.4	144.6	-106.9	0	0	112.7
83	E	31.2	Very low	29.7	Very low	193 Å²	193	139.7 Å²	139.7	90%	0.902	79%	0.793	S	S	*	*			trans	-106	163.2	-154	-54.6	177	118.1	0	0	117
84	G	30.4	Very low	30.4	Very low	79 Å²	79	137.5 Å²	137.5	81%	0.814	79%	0.787	S	S	*	*			trans	98.2	142.9	154.4	0	0	0	0	0	116.6
85	S	31.1	Very low	31.1	Very low	118 Å²	118	137.5 Å²	137.5	83%	0.825	79%	0.788	S	S	*	*			cis	-152	146.9	-10.9	-169	0	0	0	0	109.6
86	S	35.3	Very low	31.7	Very low	109 Å²	109	141 Å²	141	76%	0.762	79%	0.787	S	S	*	*			trans	-76.8	151.5	156.7	55	0	0	0	0	110.1
87	D	31.2	Very low	32.4	Very low	156 Å²	156	140.7 Å²	140.7	83%	0.834	79%	0.785	S	S	*	*			trans	-147	156.5	135.1	-151.9	-9	0	0	0	109.4
88	A	37.3	Very low	33	Very low	90 Å²	90	142.5 Å²	142.5	74%	0.744	79%	0.785	S	S	*	*			trans	-144.2	112	-175.8	0	0	0	0	0	110.8
89	T	36.1	Very low	33.5	Very low	130 Å²	130	147.1 Å²	147.1	80%	0.798	79%	0.79	S	S	*	*			trans	-118	86.1	177.3	49.4	0	0	0	0	111.1
90	E	32.8	Very low	33.9	Very low	191 Å²	191	145.3 Å²	145.3	89%	0.893	79%	0.791	S	S	*	*				27.9	117	121	-170.7	171.1	-156.7	0	0	118.2
91	G	30.1	Very low	34.1	Very low	67 Å²	67	142.7 Å²	142.7	69%	0.691	79%	0.79	S	S	*	*			trans	88	98.8	135.9	0	0	0	0	0	118.9
92	H	31.8	Very low	34.2	Very low	164 Å²	164	144.1 Å²	144.1	76%	0.759	79%	0.792	S	S	*	*				-159.6	118.6	111.3	-121.4	-93.4	0	0	0	110.4	D94	H92-D94 IonicContact CE1-OD2 3.8Å; H92-D94 IonicContact CG-OD2 3.74Å; H92-D94 IonicContact ND1-OD1 3.9Å; H92-D94 IonicContact ND1-OD2 3.59Å; H92-D94 PolarHBondContact ND1-OD2 3.43Å
93	D	39.7	Very low	34.1	Very low	160 Å²	160	146.4 Å²	146.4	86%	0.856	80%	0.795	S	S	*	*			trans	-90.4	128.3	159.2	-64.6	-51.3	0	0	0	106.9
94	D	37.9	Very low	34.1	Very low	127 Å²	127	145.4 Å²	145.4	68%	0.679	79%	0.791	S	S	*	*			trans	-137	95.3	169.5	-79.6	-60.9	0	0	0	110	H92	H92-D94 IonicContact CE1-OD2 3.8Å; H92-D94 IonicContact CG-OD2 3.74Å; H92-D94 IonicContact ND1-OD1 3.9Å; H92-D94 IonicContact ND1-OD2 3.59Å; H92-D94 PolarHBondContact ND1-OD2 3.43Å
95	E	37.6	Very low	34.1	Very low	187 Å²	187	144.1 Å²	144.1	87%	0.874	78%	0.777	S	S	*	*			trans	61.4	117.2	154.2	-51.3	-162.9	140.1	0	0	121.2	E97	E95-E97 PolarHBondContact O-N 2.76Å
96	D	36.9	Very low	34.4	Very low	153 Å²	153	145.8 Å²	145.8	82%	0.818	78%	0.775	S	S	*	*			trans	-70.5	104.9	162.9	-71.8	-71.4	0	0	0	111.9	I98	D96-I98 PolarHBondContact O-N 3.4Å
97	E	37.4	Very low	34.1	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.874	78%	0.778	S	S	*	*			trans	-89	75.6	158.8	-77.6	-155.5	142.8	0	0	111.3	E95 Y99	E95-E97 PolarHBondContact O-N 2.76Å; E97-Y99 PolarHBondContact O-N 3.35Å
98	I	35.7	Very low	33.9	Very low	143 Å²	143	143.8 Å²	143.8	73%	0.733	77%	0.771	S	S	*	*			trans	-69.4	96.6	160	-62.5	176.4	0	0	0	107.4	D96 E100	D96-I98 PolarHBondContact O-N 3.4Å; I98-E100 PolarHBondContact O-N 2.89Å
99	Y	34.9	Very low	33.6	Very low	201 Å²	201	145.9 Å²	145.9	79%	0.788	78%	0.78	S	S	*	*			trans	-67.3	101.5	-179.6	-168.6	-97	0	0	0	111.3	E97 G101	E97-Y99 PolarHBondContact O-N 3.35Å; Y99-G101 PolarHBondContact O-N 3.04Å
100	E	34.5	Very low	33.3	Very low	178 Å²	178	144 Å²	144	83%	0.832	78%	0.777	S	S	*	*			trans	-62.7	101.9	168.9	-70.1	-163.1	150.1	0	0	109.5	I98 E102	I98-E100 PolarHBondContact O-N 2.89Å; E100-E102 PolarHBondContact O-N 3.26Å; E100-E102 VanDerWaalsContact O-N 3.17Å
101	G	32.3	Very low	33.2	Very low	57 Å²	57	139.6 Å²	139.6	59%	0.588	77%	0.773	S	S	*	*			trans	-65.1	114.9	172.8	0	0	0	0	0	110.4	Y99 Y103	Y99-G101 PolarHBondContact O-N 3.04Å; G101-Y103 PolarHBondContact O-N 3.47Å
102	E	30.7	Very low	33.1	Very low	168 Å²	168	143.4 Å²	143.4	79%	0.785	78%	0.778	S	S	*	*			trans	-54.1	102.8	175.7	-75.8	-164.3	135.7	0	0	110.8	E100 Q104	E100-E102 PolarHBondContact O-N 3.26Å; E100-E102 VanDerWaalsContact O-N 3.17Å; E102-Q104 VanDerWaalsContact C-N 3.29Å; E102-Q104 PolarHBondContact O-N 3.44Å
103	Y	30.6	Very low	33.2	Very low	217 Å²	217	145.5 Å²	145.5	85%	0.851	79%	0.785	S	S	*	*			trans	-75	85.4	176.7	-157.8	-84.1	0	0	0	108.7	G101 G105	G101-Y103 PolarHBondContact O-N 3.47Å; Y103-G105 VanDerWaalsContact C-N 3.33Å; Y103-G105 PolarHBondContact O-N 2.9Å
104	Q	31.8	Very low	32.6	Very low	172 Å²	172	146.6 Å²	146.6	80%	0.804	78%	0.782	S	S	*	*			trans	-59.7	95.6	176.2	-73.5	-168.4	-6.6	0	0	109.7	E102	E102-Q104 VanDerWaalsContact C-N 3.29Å; E102-Q104 PolarHBondContact O-N 3.44Å
105	G	30.4	Very low	32	Very low	52 Å²	52	148.8 Å²	148.8	54%	0.536	79%	0.788	S	S	.	*			trans	-65.3	142.1	-170.2	0	0	0	0	0	112.4	Y103	Y103-G105 VanDerWaalsContact C-N 3.33Å; Y103-G105 PolarHBondContact O-N 2.9Å
106	I	37.2	Very low	31.5	Very low	153 Å²	153	149.8 Å²	149.8	79%	0.785	79%	0.789	S	S	*	*			trans	-48.3	126.8	168.7	-58.5	165.8	0	0	0	108.3	S108	I106-S108 PolarHBondContact O-N 3.27Å
107	P	29.3	Very low	31	Very low	125 Å²	125	152.1 Å²	152.1	81%	0.812	80%	0.795	S	S	*	*			trans	-67.2	92.3	-177	25.7	-34	0	0	0	110.8	S109	P107-S109 PolarHBondContact O-N 3.39Å
108	S	26.8	Very low	30.5	Very low	98 Å²	98	146.6 Å²	146.6	69%	0.685	79%	0.789	S	S	*	*			trans	-66.8	116.9	-179.5	61.1	0	0	0	0	110.8	I106 A110	I106-S108 PolarHBondContact O-N 3.27Å; S108-A110 PolarHBondContact O-N 3.29Å
109	S	30.1	Very low	30	Very low	134 Å²	134	149.1 Å²	149.1	94%	0.937	80%	0.797	S	S	*	*	S	Bend	trans	-77.6	50.3	-174.8	47	0	0	0	0	113	P107	P107-S109 PolarHBondContact O-N 3.39Å
110	A	31.6	Very low	30.2	Very low	90 Å²	90	146.4 Å²	146.4	74%	0.744	80%	0.802	S	S	*	*			trans	-127.3	13.3	-167.4	0	0	0	0	0	114.7	S108	S108-A110 PolarHBondContact O-N 3.29Å
111	A	30.6	Very low	29.9	Very low	98 Å²	98	142.2 Å²	142.2	81%	0.81	80%	0.798	S	S	*	*	S	Bend	trans	-126.1	19.1	-170.6	0	0	0	0	0	116.5
112	D	28.1	Very low	30.4	Very low	148 Å²	148	148 Å²	148	79%	0.791	81%	0.814	S	S	*	*			trans	-144.4	114.1	158.7	-150.2	-18.3	0	0	0	113.7
113	K	32.3	Very low	31.2	Very low	208 Å²	208	143.2 Å²	143.2	90%	0.904	81%	0.81	S	S	*	*			trans	-149.7	75.1	175.2	-103.7	-171.2	-179.7	175.7	0	110.7
114	K	27.6	Very low	31.1	Very low	183 Å²	183	142 Å²	142	80%	0.796	81%	0.812	S	S	*	*			trans	-151.7	124.1	152.2	-112.8	160.1	-171.9	174.3	0	113
115	H	25.5	Very low	31.4	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.796	80%	0.798	S	S	*	*	S	Bend	trans	57.1	89.7	170.1	-64.1	-77.2	0	0	0	118.3
116	K	26.2	Very low	32.1	Very low	208 Å²	208	143 Å²	143	90%	0.904	81%	0.811	S	S	*	*				-159.7	133.5	95.5	-102.9	163.9	-176.6	174.2	0	112.2
117	E	27.7	Very low	32.5	Very low	202 Å²	202	138.6 Å²	138.6	94%	0.944	79%	0.794	S	S	*	*			trans	-80.7	137.8	159	-61.5	173.9	125.3	0	0	107.8
118	G	26.2	Very low	33.2	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	78%	0.782	S	S	*	*			trans	167.3	75.3	-179.9	0	0	0	0	0	117
119	Q	26.2	Very low	34.2	Very low	195 Å²	195	136.2 Å²	136.2	91%	0.911	78%	0.777	S	S	*	*			trans	62.1	147	157.3	-64.3	179.1	-18.4	0	0	119.2	A121	Q119-A121 PolarHBondContact O-N 3.47Å
120	V	39.3	Very low	35.4	Very low	145 Å²	145	133.6 Å²	133.6	88%	0.879	76%	0.755	S	S	*	*			trans	-76.8	108.4	173.2	176.7	0	0	0	0	109	L122	V120-L122 PolarHBondContact O-N 2.94Å
121	A	27.8	Very low	36.3	Very low	90 Å²	90	136.9 Å²	136.9	74%	0.744	75%	0.748	S	S	*	*			trans	-81.2	97.7	174.9	0	0	0	0	0	110.8	Q119 G123	Q119-A121 PolarHBondContact O-N 3.47Å; A121-G123 PolarHBondContact O-N 3.19Å
122	L	42.4	Very low	38	Very low	177 Å²	177	137 Å²	137	93%	0.927	74%	0.736	S	S	*	*			trans	-73.1	93	172.7	-175.2	76.1	0	0	0	110.2	V120	V120-L122 PolarHBondContact O-N 2.94Å
123	G	46.7	Very low	39.8	Very low	69 Å²	69	136.8 Å²	136.8	71%	0.711	72%	0.724	S	S	*	*			trans	127.6	96.4	167.2	0	0	0	0	0	115.2	A121	A121-G123 PolarHBondContact O-N 3.19Å
124	Q	29	Very low	41.5	Very low	190 Å²	190	129 Å²	129	89%	0.888	70%	0.696	S	S	*	*			trans	-118.4	152.9	149	-82.8	178.5	-70.7	0	0	108.3
125	P	39.2	Very low	43.7	Very low	79 Å²	79	124.6 Å²	124.6	51%	0.513	68%	0.678	S	S	.	*			trans	-82.4	146.4	-150.6	32.3	-37.3	0	0	0	113.7	S127	P125-S127 WeakPolarHBondContact CB-OG 3.49Å; P125-S127 WeakPolarHBondContact CG-OG 3.08Å; P125-S127 PolarHBondContact O-N 3.19Å; P125-S127 VanDerWaalsContact O-N 3.09Å
126	M	43.5	Very low	45.9	Very low	166 Å²	166	119.8 Å²	119.8	82%	0.818	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-3.8	171.8	-160.7	-177.6	-67.1	0	0	112.9	V130	M126-V130 HydrophobicContact CG-CG2 4.47Å; M126-V130 WeakPolarHBondContact O-CB 3.42Å; M126-V130 WeakPolarHBondContact O-CG2 3.34Å
127	S	45.7	Very low	48	Very low	61 Å²	61	114.3 Å²	114.3	43%	0.427	64%	0.635	S	S	.	*	H	α-helix	trans	-66.1	-42.7	-179.2	49.5	0	0	0	0	113.1	P125 V130 R131	P125-S127 WeakPolarHBondContact CB-OG 3.49Å; P125-S127 WeakPolarHBondContact CG-OG 3.08Å; P125-S127 PolarHBondContact O-N 3.19Å; P125-S127 VanDerWaalsContact O-N 3.09Å; S127-V130 PolarHBondContact O-N 2.96Å; S127-R131 WeakPolarHBondContact O-CB 3.48Å; S127-R131 PolarHBondContact O-N 3.14Å
128	D	44.9	Very low	50.2	Low	102 Å²	102	111 Å²	111	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-79.7	-38.8	-160.6	-57.6	-7.3	0	0	0	110.4	V130 R131 D132	D128-V130 VanDerWaalsContact C-N 3.29Å; D128-V130 PolarHBondContact O-N 3.38Å; D128-R131 WeakPolarHBondContact O-CB 3.37Å; D128-R131 PolarHBondContact O-N 3.4Å; D128-D132 WeakPolarHBondContact O-CB 3.27Å; D128-D132 PolarHBondContact O-N 3Å
129	A	48.7	Very low	52.6	Low	72 Å²	72	112.7 Å²	112.7	60%	0.595	61%	0.608	S	S	*	*	H	α-helix	trans	-69.4	-21.6	169.4	0	0	0	0	0	113.9	R133	A129-R133 PolarHBondContact O-N 3.34Å
130	V	53.6	Low	54.9	Low	78 Å²	78	105.2 Å²	105.2	47%	0.473	57%	0.572	S	S	.	*	H	α-helix	trans	-79.9	-36.2	171.7	166.5	0	0	0	0	110.7	M126 S127 D128 S134	M126-V130 HydrophobicContact CG-CG2 4.47Å; M126-V130 WeakPolarHBondContact O-CB 3.42Å; M126-V130 WeakPolarHBondContact O-CG2 3.34Å; S127-V130 PolarHBondContact O-N 2.96Å; D128-V130 VanDerWaalsContact C-N 3.29Å; D128-V130 PolarHBondContact O-N 3.38Å; V130-S134 WeakPolarHBondContact O-CB 3.42Å; V130-S134 PolarHBondContact O-N 3.25Å
131	R	51.9	Low	56.5	Low	159 Å²	159	101.6 Å²	101.6	60%	0.6	55%	0.548	S	S	*	.	H	α-helix	trans	-64.9	-52.5	175.8	180	176.8	-179	165.8	2.3	111.5	S127 D128 R133 S134 E135	S127-R131 WeakPolarHBondContact O-CB 3.48Å; S127-R131 PolarHBondContact O-N 3.14Å; D128-R131 WeakPolarHBondContact O-CB 3.37Å; D128-R131 PolarHBondContact O-N 3.4Å; R131-R133 VanDerWaalsContact C-N 3.31Å; R131-R133 PolarHBondContact O-N 2.94Å; R131-S134 WeakPolarHBondContact CA-OG 3.38Å; R131-S134 CarbonylContact O-C 3.59Å; R131-S134 WeakPolarHBondContact O-CA 3.5Å; R131-S134 WeakPolarHBondContact O-CB 3.48Å; R131-S134 PolarHBondContact O-N 2.9Å; R131-S134 PolarHBondContact O-OG 2.69Å; R131-E135 VanDerWaalsContact CG-OE1 3.23Å; R131-E135 WeakPolarHBondContact CG-OE1 3.08Å; R131-E135 IonicContact CZ-OE1 3.33Å; R131-E135 IonicContact NE-OE1 2.68Å; R131-E135 PolarHBondContact NE-OE1 3.32Å; R131-E135 IonicContact NH2-OE1 3.23Å; R131-E135 PolarHBondContact O-N 3.41Å
132	D	66.3	Low	58.8	Low	102 Å²	102	99.7 Å²	99.7	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-52.7	-47.6	177	-167.2	41.3	0	0	0	111.2	D128 S134 E135 L136	D128-D132 WeakPolarHBondContact O-CB 3.27Å; D128-D132 PolarHBondContact O-N 3Å; D132-S134 PolarHBondContact O-N 3.1Å; D132-E135 PolarHBondContact O-N 2.92Å; D132-L136 WeakPolarHBondContact O-CG 3.44Å; D132-L136 PolarHBondContact O-N 3.5Å
133	R	65.8	Low	60.5	Low	143 Å²	143	92.6 Å²	92.6	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-30.4	174.1	-173.9	159.3	59	-170.1	-2.3	114.2	A129 R131 E135 E137	A129-R133 PolarHBondContact O-N 3.34Å; R131-R133 VanDerWaalsContact C-N 3.31Å; R131-R133 PolarHBondContact O-N 2.94Å; R133-E135 VanDerWaalsContact C-N 3.35Å; R133-E137 WeakPolarHBondContact O-CB 3.35Å; R133-E137 WeakPolarHBondContact O-CG 3.47Å; R133-E137 PolarHBondContact O-N 3.22Å
134	S	67.2	Low	61.8	Low	45 Å²	45	90.5 Å²	90.5	32%	0.315	47%	0.466	S	S	.	.	H	α-helix	trans	-74.7	-25.4	175.5	74.7	0	0	0	0	113.4	V130 R131 D132 Q138	V130-S134 WeakPolarHBondContact O-CB 3.42Å; V130-S134 PolarHBondContact O-N 3.25Å; R131-S134 WeakPolarHBondContact CA-OG 3.38Å; R131-S134 CarbonylContact O-C 3.59Å; R131-S134 WeakPolarHBondContact O-CA 3.5Å; R131-S134 WeakPolarHBondContact O-CB 3.48Å; R131-S134 PolarHBondContact O-N 2.9Å; R131-S134 PolarHBondContact O-OG 2.69Å; D132-S134 PolarHBondContact O-N 3.1Å; S134-Q138 WeakPolarHBondContact O-CG 3.42Å; S134-Q138 PolarHBondContact O-N 2.85Å; S134-Q138 PolarHBondContact O-NE2 3.46Å
135	E	74.5	Confident	64.1	Low	90 Å²	90	85.9 Å²	85.9	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-78.4	-42.2	174.2	-68.2	172.5	-165.5	0	0	108.9	R131 D132 R133 E137 Q138 E139	R131-E135 VanDerWaalsContact CG-OE1 3.23Å; R131-E135 WeakPolarHBondContact CG-OE1 3.08Å; R131-E135 IonicContact CZ-OE1 3.33Å; R131-E135 IonicContact NE-OE1 2.68Å; R131-E135 PolarHBondContact NE-OE1 3.32Å; R131-E135 IonicContact NH2-OE1 3.23Å; R131-E135 PolarHBondContact O-N 3.41Å; D132-E135 PolarHBondContact O-N 2.92Å; R133-E135 VanDerWaalsContact C-N 3.35Å; E135-E137 PolarHBondContact O-N 3.48Å; E135-Q138 WeakPolarHBondContact O-CB 3.47Å; E135-Q138 PolarHBondContact O-N 3.49Å; E135-Q138 VanDerWaalsContact O-N 3.13Å; E135-E139 PolarHBondContact O-N 3.28Å
136	L	70.4	Confident	66	Low	71 Å²	71	87.1 Å²	87.1	37%	0.372	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-36.6	169	-70.3	168.5	0	0	0	114.2	D132 Q138 R140	D132-L136 WeakPolarHBondContact O-CG 3.44Å; D132-L136 PolarHBondContact O-N 3.5Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 2.98Å; L136-R140 PolarHBondContact O-N 3.18Å; L136-R140 VanDerWaalsContact O-N 3.15Å
137	E	70.6	Confident	67.8	Low	93 Å²	93	79.5 Å²	79.5	44%	0.435	41%	0.406	S	S	.	.	H	α-helix	trans	-65.2	-32.8	173.6	-82.2	-176.4	175.7	0	0	111.9	R133 E135 D141	R133-E137 WeakPolarHBondContact O-CB 3.35Å; R133-E137 WeakPolarHBondContact O-CG 3.47Å; R133-E137 PolarHBondContact O-N 3.22Å; E135-E137 PolarHBondContact O-N 3.48Å; E137-D141 WeakPolarHBondContact O-CB 3.32Å; E137-D141 PolarHBondContact O-N 2.92Å
138	Q	74.5	Confident	69.4	Low	132 Å²	132	76.6 Å²	76.6	62%	0.617	39%	0.386	S	S	*	.	H	α-helix	trans	-75.4	-40	176.5	-75.4	166.9	61.8	0	0	112.7	S134 E135 L136 R140 D141 A142	S134-Q138 WeakPolarHBondContact O-CG 3.42Å; S134-Q138 PolarHBondContact O-N 2.85Å; S134-Q138 PolarHBondContact O-NE2 3.46Å; E135-Q138 WeakPolarHBondContact O-CB 3.47Å; E135-Q138 PolarHBondContact O-N 3.49Å; E135-Q138 VanDerWaalsContact O-N 3.13Å; L136-Q138 VanDerWaalsContact C-N 3.29Å; L136-Q138 PolarHBondContact O-N 2.98Å; Q138-R140 VanDerWaalsContact C-N 3.3Å; Q138-R140 PolarHBondContact O-N 2.9Å; Q138-D141 PolarHBondContact O-N 3.39Å; Q138-A142 WeakPolarHBondContact O-CB 3.35Å; Q138-A142 PolarHBondContact O-N 2.91Å
139	E	76.3	Confident	71	Confident	107 Å²	107	77.1 Å²	77.1	50%	0.5	39%	0.385	S	S	.	.	H	α-helix	trans	-58.2	-44.1	171.9	-70.7	-165.7	156.6	0	0	111.2	E135 A142 D143 R400	E135-E139 PolarHBondContact O-N 3.28Å; E139-A142 PolarHBondContact O-N 3.33Å; E139-D143 PolarHBondContact O-N 3.36Å; E139-R400 IonicContact OE2-NH1 2.75Å
140	R	73.8	Confident	72.7	Confident	38 Å²	38	76.9 Å²	76.9	14%	0.143	37%	0.372	C	S	.	.	H	α-helix	trans	-68.7	-40.5	179.6	-160.1	-158.9	81.4	-89.1	-15.3	112.8	L136 Q138 A142 D143 E144 P399	L136-R140 PolarHBondContact O-N 3.18Å; L136-R140 VanDerWaalsContact O-N 3.15Å; Q138-R140 VanDerWaalsContact C-N 3.3Å; Q138-R140 PolarHBondContact O-N 2.9Å; R140-A142 PolarHBondContact O-N 3.34Å; R140-D143 PolarHBondContact O-N 2.8Å; R140-E144 IonicContact CZ-OE1 3.39Å; R140-E144 IonicContact NE-OE1 3.71Å; R140-E144 PolarHBondContact NE-OE1 3.29Å; R140-E144 IonicContact NH2-OE1 3.14Å; R140-E144 PolarHBondContact NH2-OE1 3.34Å; R140-E144 IonicContact NH2-OE2 3.88Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 2.82Å; R140-P399 HydrophobicContact CG-CB 3.84Å
141	D	73.3	Confident	74.2	Confident	70 Å²	70	73.5 Å²	73.5	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-31.3	175	-80.3	14.2	0	0	0	110.9	E137 Q138 E145 R680	E137-D141 WeakPolarHBondContact O-CB 3.32Å; E137-D141 PolarHBondContact O-N 2.92Å; Q138-D141 PolarHBondContact O-N 3.39Å; D141-E145 PolarHBondContact O-N 3Å; D141-R680 IonicContact OD1-NH2 2.73Å
142	A	76	Confident	75.6	Confident	50 Å²	50	66.4 Å²	66.4	41%	0.413	32%	0.324	S	S	.	.	H	α-helix	trans	-74.1	-39.2	172.5	0	0	0	0	0	113.5	Q138 E139 R140 E144 E145 E146	Q138-A142 WeakPolarHBondContact O-CB 3.35Å; Q138-A142 PolarHBondContact O-N 2.91Å; E139-A142 PolarHBondContact O-N 3.33Å; R140-A142 PolarHBondContact O-N 3.34Å; A142-E144 VanDerWaalsContact C-N 3.3Å; A142-E144 PolarHBondContact O-N 3.31Å; A142-E145 PolarHBondContact O-N 2.99Å; A142-E146 PolarHBondContact O-N 3.15Å
143	D	77.9	Confident	76.4	Confident	27 Å²	27	66.8 Å²	66.8	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-36.8	171.3	-82.2	-15.6	0	0	0	111.8	E139 R140 E146 L147 K397 P399	E139-D143 PolarHBondContact O-N 3.36Å; R140-D143 PolarHBondContact O-N 2.8Å; D143-E146 PolarHBondContact O-N 3.44Å; D143-L147 VanDerWaalsContact O-CB 3.29Å; D143-L147 WeakPolarHBondContact O-CB 3.48Å; D143-L147 PolarHBondContact O-N 3.29Å; D143-K397 WeakPolarHBondContact OD1-CE 3.29Å; D143-K397 IonicContact OD1-NZ 2.79Å; D143-K397 PolarHBondContact OD1-NZ 3.29Å; D143-P399 HydrophobicContact CB-CB 4.01Å
144	E	75	Confident	77.3	Confident	25 Å²	25	60 Å²	60	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-43.2	171.2	-78.7	173	-145.4	0	0	111	R140 A142 A148 P399 R680	R140-E144 IonicContact CZ-OE1 3.39Å; R140-E144 IonicContact NE-OE1 3.71Å; R140-E144 PolarHBondContact NE-OE1 3.29Å; R140-E144 IonicContact NH2-OE1 3.14Å; R140-E144 PolarHBondContact NH2-OE1 3.34Å; R140-E144 IonicContact NH2-OE2 3.88Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 2.82Å; A142-E144 VanDerWaalsContact C-N 3.3Å; A142-E144 PolarHBondContact O-N 3.31Å; E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.27Å; E144-A148 PolarHBondContact O-N 2.95Å; E144-P399 HydrophobicContact CG-CB 4.42Å; E144-P399 HydrophobicContact CG-CG 4.49Å; E144-R680 IonicContact OE2-NH2 3.5Å; E144-R680 PolarHBondContact OE2-NH2 2.8Å
145	E	77	Confident	78.2	Confident	94 Å²	94	58 Å²	58	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-69.7	-37.2	177.2	-74.8	-167.7	-173.1	0	0	114.2	D141 A142 Q149 M741	D141-E145 PolarHBondContact O-N 3Å; A142-E145 PolarHBondContact O-N 2.99Å; E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 3.27Å; E145-Q149 PolarHBondContact O-NE2 2.92Å; E145-M741 HydrophobicContact CG-CE 4.22Å; E145-M741 HydrophobicContact CG-CG 4.49Å; E145-M741 WeakPolarHBondContact OE1-CE 3.45Å
146	E	79	Confident	78.6	Confident	104 Å²	104	59.2 Å²	59.2	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-45.4	174.2	-77.7	-171.1	-173.7	0	0	111.6	A142 D143 A148 Q149 H150 K397	A142-E146 PolarHBondContact O-N 3.15Å; D143-E146 PolarHBondContact O-N 3.44Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 3.3Å; E146-Q149 PolarHBondContact O-N 2.88Å; E146-H150 WeakPolarHBondContact O-CB 3.46Å; E146-H150 PolarHBondContact O-N 3.34Å; E146-K397 IonicContact OE1-NZ 2.81Å; E146-K397 WeakPolarHBondContact OE2-CD 3.32Å; E146-K397 WeakPolarHBondContact OE2-CE 3.34Å; E146-K397 IonicContact OE2-NZ 3.84Å; E146-K397 PolarHBondContact OE2-NZ 3.13Å
147	L	81.6	Confident	79.2	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-42.8	175.2	172.3	57.2	0	0	0	111.2	D143 Q149 H150 Y151 L361 I396 P399	D143-L147 VanDerWaalsContact O-CB 3.29Å; D143-L147 WeakPolarHBondContact O-CB 3.48Å; D143-L147 PolarHBondContact O-N 3.29Å; L147-Q149 VanDerWaalsContact C-N 3.35Å; L147-Q149 PolarHBondContact O-N 2.78Å; L147-H150 PolarHBondContact O-N 2.9Å; L147-Y151 VanDerWaalsContact O-CB 3.23Å; L147-Y151 WeakPolarHBondContact O-CB 3.46Å; L147-Y151 PolarHBondContact O-N 3.14Å; L147-L361 HydrophobicContact CD1-CB 4.35Å; L147-L361 HydrophobicContact CD1-CD1 4.28Å; L147-L361 HydrophobicContact CD2-CB 4.28Å; L147-I396 HydrophobicContact CD1-CG2 3.52Å; L147-P399 HydrophobicContact CD2-CG 4.47Å
148	A	78.8	Confident	79.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-43.7	177.2	0	0	0	0	0	113.1	E144 E146 E152 R358 V739 L740	E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.27Å; E144-A148 PolarHBondContact O-N 2.95Å; E146-A148 VanDerWaalsContact C-N 3.31Å; E146-A148 PolarHBondContact O-N 3.3Å; A148-E152 PolarHBondContact O-N 3.35Å; A148-R358 VanDerWaalsContact CB-NH2 3.32Å; A148-V739 HydrophobicContact CB-CG1 3.98Å; A148-L740 WeakPolarHBondContact CB-O 3.46Å
149	Q	79.8	Confident	80.2	Confident	112 Å²	112	48.3 Å²	48.3	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-70	-44.7	178.1	-70	174.8	60.1	0	0	111.9	E145 E146 L147 Y151 E152 L153	E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 3.27Å; E145-Q149 PolarHBondContact O-NE2 2.92Å; E146-Q149 PolarHBondContact O-N 2.88Å; L147-Q149 VanDerWaalsContact C-N 3.35Å; L147-Q149 PolarHBondContact O-N 2.78Å; Q149-Y151 VanDerWaalsContact C-N 3.35Å; Q149-Y151 PolarHBondContact O-N 2.93Å; Q149-E152 PolarHBondContact O-N 2.86Å; Q149-L153 PolarHBondContact O-N 2.86Å
150	H	83.3	Confident	80.6	Confident	68 Å²	68	44.8 Å²	44.8	32%	0.315	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-43.4	178.2	-168.4	69.6	0	0	0	111.1	E146 L147 E152 L153 I154	E146-H150 WeakPolarHBondContact O-CB 3.46Å; E146-H150 PolarHBondContact O-N 3.34Å; L147-H150 PolarHBondContact O-N 2.9Å; H150-E152 PolarHBondContact O-N 3.17Å; H150-L153 WeakPolarHBondContact O-CB 3.35Å; H150-L153 PolarHBondContact O-N 3.16Å; H150-L153 VanDerWaalsContact O-N 3.09Å; H150-I154 WeakPolarHBondContact O-CG1 3.34Å; H150-I154 PolarHBondContact O-N 3.45Å; H150-I154 VanDerWaalsContact O-N 3.09Å
151	Y	84.4	Confident	81.3	Confident	6 Å²	6	43.6 Å²	43.6	2%	0.024	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-41	178.6	-177.2	-90.2	0	0	0	113.8	L147 Q149 L153 I154 M155 E281 R358 L361 L373	L147-Y151 VanDerWaalsContact O-CB 3.23Å; L147-Y151 WeakPolarHBondContact O-CB 3.46Å; L147-Y151 PolarHBondContact O-N 3.14Å; Q149-Y151 VanDerWaalsContact C-N 3.35Å; Q149-Y151 PolarHBondContact O-N 2.93Å; Y151-L153 VanDerWaalsContact C-N 3.28Å; Y151-L153 PolarHBondContact O-N 3.38Å; Y151-I154 PolarHBondContact O-N 3.16Å; Y151-M155 HydrophobicContact CD1-CG 3.97Å; Y151-M155 HydrophobicContact CE1-CG 3.5Å; Y151-M155 VanDerWaalsContact CE1-CG 3.5Å; Y151-M155 HydrophobicContact CE1-SD 4.36Å; Y151-M155 HydrophobicContact CE2-CG 4.44Å; Y151-M155 WeakPolarHBondContact O-CG 3.14Å; Y151-M155 PolarHBondContact O-N 3.43Å; Y151-E281 WeakPolarHBondContact CE1-O 3.21Å; Y151-E281 PolarHBondContact OH-O 3.37Å; Y151-R358 HydrophobicContact CD2-CB 4.44Å; Y151-R358 HydrophobicContact CE1-CB 4.33Å; Y151-R358 HydrophobicContact CE2-CB 3.83Å; Y151-R358 HydrophobicContact CE2-CG 4.41Å; Y151-L361 HydrophobicContact CD2-CD1 3.83Å; Y151-L361 HydrophobicContact CE2-CD1 4.2Å; Y151-L373 HydrophobicContact CE2-CD2 4.03Å
152	E	81.6	Confident	82	Confident	11 Å²	11	42.6 Å²	42.6	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-30.5	175.9	-74.4	-94.6	-155.3	0	0	112.2	A148 Q149 H150 Q156 R285 R288 V739	A148-E152 PolarHBondContact O-N 3.35Å; Q149-E152 PolarHBondContact O-N 2.86Å; H150-E152 PolarHBondContact O-N 3.17Å; E152-Q156 VanDerWaalsContact O-CG 3.32Å; E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.43Å; E152-Q156 VanDerWaalsContact O-N 3.11Å; E152-R285 VanDerWaalsContact OE2-CB 3.3Å; E152-R285 WeakPolarHBondContact OE2-CB 3.12Å; E152-R285 PolarHBondContact OE2-N 2.98Å; E152-R288 IonicContact OE1-CZ 3.79Å; E152-R288 IonicContact OE1-NH1 3.71Å; E152-R288 PolarHBondContact OE1-NH1 3.46Å; E152-R288 IonicContact OE2-NH1 3.14Å; E152-V739 HydrophobicContact CG-CG1 4.2Å
153	L	83.1	Confident	82.7	Confident	109 Å²	109	40.6 Å²	40.6	57%	0.571	20%	0.204	S	C	*	.	H	α-helix	trans	-68.8	-45.3	172.4	-65.9	168.1	0	0	0	111.3	Q149 H150 Y151 M155 Q156 E157	Q149-L153 PolarHBondContact O-N 2.86Å; H150-L153 WeakPolarHBondContact O-CB 3.35Å; H150-L153 PolarHBondContact O-N 3.16Å; H150-L153 VanDerWaalsContact O-N 3.09Å; Y151-L153 VanDerWaalsContact C-N 3.28Å; Y151-L153 PolarHBondContact O-N 3.38Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 3.46Å; L153-Q156 WeakPolarHBondContact O-CB 3.35Å; L153-Q156 PolarHBondContact O-N 3.11Å; L153-Q156 VanDerWaalsContact O-N 3.11Å; L153-E157 PolarHBondContact O-N 3.36Å; L153-E157 VanDerWaalsContact O-N 3.08Å
154	I	85.3	Confident	83.3	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-56.3	-44.1	174.1	-56.2	173.7	0	0	0	110.5	H150 Y151 Q156 E157 C158 L373 F391 V393 I396	H150-I154 WeakPolarHBondContact O-CG1 3.34Å; H150-I154 PolarHBondContact O-N 3.45Å; H150-I154 VanDerWaalsContact O-N 3.09Å; Y151-I154 PolarHBondContact O-N 3.16Å; I154-Q156 VanDerWaalsContact C-N 3.3Å; I154-Q156 PolarHBondContact O-N 3.23Å; I154-E157 PolarHBondContact O-N 3.47Å; I154-C158 PolarHBondContact O-N 2.99Å; I154-C158 PolarHBondContact O-SG 2.9Å; I154-L373 HydrophobicContact CD1-CD1 4.42Å; I154-L373 HydrophobicContact CG2-CD1 4.25Å; I154-L373 HydrophobicContact CG2-CD2 4.07Å; I154-F391 HydrophobicContact CG2-CE2 3.71Å; I154-F391 HydrophobicContact CG2-CZ 3.61Å; I154-V393 HydrophobicContact CD1-CG1 3.89Å; I154-V393 HydrophobicContact CG1-CG1 4.04Å; I154-V393 HydrophobicContact CG1-CG2 4.06Å; I154-I396 HydrophobicContact CD1-CD1 3.74Å; I154-I396 HydrophobicContact CD1-CG1 4Å
155	M	85.7	Confident	84.2	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-70.3	-24	-179.8	-71.5	-55.6	-54.2	0	0	113.6	Y151 L153 G159 V282 L373	Y151-M155 HydrophobicContact CD1-CG 3.97Å; Y151-M155 HydrophobicContact CE1-CG 3.5Å; Y151-M155 VanDerWaalsContact CE1-CG 3.5Å; Y151-M155 HydrophobicContact CE1-SD 4.36Å; Y151-M155 HydrophobicContact CE2-CG 4.44Å; Y151-M155 WeakPolarHBondContact O-CG 3.14Å; Y151-M155 PolarHBondContact O-N 3.43Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 3.46Å; M155-G159 PolarHBondContact O-N 2.87Å; M155-V282 WeakPolarHBondContact CE-O 3.29Å; M155-L373 HydrophobicContact SD-CD2 3.87Å
156	Q	84.3	Confident	84.9	Confident	115 Å²	115	43.2 Å²	43.2	54%	0.537	21%	0.211	S	C	.	.	H	α-helix	trans	-71.8	-40.4	168.6	-72.7	170.7	33.7	0	0	111.7	E152 L153 I154 G159	E152-Q156 VanDerWaalsContact O-CG 3.32Å; E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.43Å; E152-Q156 VanDerWaalsContact O-N 3.11Å; L153-Q156 WeakPolarHBondContact O-CB 3.35Å; L153-Q156 PolarHBondContact O-N 3.11Å; L153-Q156 VanDerWaalsContact O-N 3.11Å; I154-Q156 VanDerWaalsContact C-N 3.3Å; I154-Q156 PolarHBondContact O-N 3.23Å; Q156-G159 PolarHBondContact O-N 3.48Å
157	E	83	Confident	85.6	Confident	60 Å²	60	38.3 Å²	38.3	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-65.4	-47	175.5	-174.1	179.4	166	0	0	112.1	L153 I154 G159 M381 T392 V393	L153-E157 PolarHBondContact O-N 3.36Å; L153-E157 VanDerWaalsContact O-N 3.08Å; I154-E157 PolarHBondContact O-N 3.47Å; E157-G159 PolarHBondContact O-N 2.54Å; E157-M381 WeakPolarHBondContact O-CE 3.24Å; E157-T392 VanDerWaalsContact CD-OG1 3.27Å; E157-T392 WeakPolarHBondContact OE1-CB 3Å; E157-T392 WeakPolarHBondContact OE1-CG2 3.03Å; E157-T392 PolarHBondContact OE1-N 3.31Å; E157-T392 PolarHBondContact OE1-OG1 3.38Å; E157-T392 PolarHBondContact OE2-OG1 3.47Å; E157-T392 VanDerWaalsContact OE2-OG1 3.11Å; E157-V393 WeakPolarHBondContact OE2-CG2 3.4Å
158	C	83.1	Confident	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56	-33.8	171.9	-65.7	0	0	0	0	112.4	I154 I376 H377 N380	I154-C158 PolarHBondContact O-N 2.99Å; I154-C158 PolarHBondContact O-SG 2.9Å; C158-I376 HydrophobicContact CB-CG2 4.28Å; C158-H377 HydrophobicContact CB-CB 4.44Å; C158-N380 PolarHBondContact O-ND2 3.27Å
159	G	82.2	Confident	87	Confident	7 Å²	7	44 Å²	44	7%	0.072	21%	0.213	C	C	.	.			trans	63.7	176.5	179.7	0	0	0	0	0	114.4	M155 Q156 E157 Q164 N380	M155-G159 PolarHBondContact O-N 2.87Å; Q156-G159 PolarHBondContact O-N 3.48Å; E157-G159 PolarHBondContact O-N 2.54Å; G159-Q164 PolarHBondContact O-NE2 3.09Å; G159-N380 PolarHBondContact O-ND2 2.9Å
160	H	84.9	Confident	87.7	Confident	33 Å²	33	39.4 Å²	39.4	15%	0.153	19%	0.192	C	C	.	.	S	Bend	trans	-92.4	131.2	172.8	-164.3	98.3	0	0	0	111	Q164 W165 H291 R384	H160-Q164 WeakPolarHBondContact CE1-CB 3.46Å; H160-W165 AromaticContact CD2-NE1 3.87Å; H160-W165 AromaticContact NE2-CD1 2.84Å; H160-W165 AromaticContact NE2-CD2 3.6Å; H160-W165 AromaticContact NE2-CE2 3.06Å; H160-W165 AromaticContact NE2-CG 3.49Å; H160-W165 AromaticContact NE2-CZ2 3.81Å; H160-W165 AromaticContact NE2-NE1 2.52Å; H160-W165 PolarHBondContact NE2-NE1 2.96Å; H160-H291 AromaticContact CE1-CD2 3.08Å; H160-H291 PolarHBondContact CE1-CD2 3.16Å; H160-H291 AromaticContact CE1-CE1 3.59Å; H160-H291 AromaticContact CE1-CG 3.58Å; H160-H291 AromaticContact CE1-ND1 3.84Å; H160-H291 AromaticContact CE1-NE2 3.11Å; H160-H291 PolarHBondContact CE1-NE2 3.22Å; H160-H291 AromaticContact ND1-NE2 3.79Å; H160-H291 AromaticContact NE2-CE1 3.69Å; H160-H291 AromaticContact NE2-NE2 3.72Å; H160-R384 PolarHBondContact O-NH2 3.09Å
161	G	87.1	Confident	88.3	Confident	14 Å²	14	36.1 Å²	36.1	14%	0.144	18%	0.177	C	C	.	.	S	Bend	trans	-160.5	-149.2	-177.8	0	0	0	0	0	113	F163 N380	G161-F163 VanDerWaalsContact C-N 3.28Å; G161-F163 PolarHBondContact O-N 2.93Å; G161-N380 WeakPolarHBondContact CA-OD1 3.38Å
162	S	87.9	Confident	88.8	Confident	48 Å²	48	35.9 Å²	35.9	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-67.2	-27.9	-172.6	-166.2	0	0	0	0	113.5	W165 Q166 N380	S162-W165 PolarHBondContact O-N 3.37Å; S162-Q166 WeakPolarHBondContact O-CG 3.27Å; S162-Q166 PolarHBondContact O-N 2.95Å; S162-N380 PolarHBondContact N-OD1 3.4Å
163	F	91.3	Very high	89.5	Confident	9 Å²	9	37.8 Å²	37.8	4%	0.039	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-47.8	-178.9	-174.8	-86	0	0	0	111.6	G161 W165 Q166 L167 V282 P354 I376 T379 N380	G161-F163 VanDerWaalsContact C-N 3.28Å; G161-F163 PolarHBondContact O-N 2.93Å; F163-W165 VanDerWaalsContact C-N 3.28Å; F163-W165 PolarHBondContact O-N 3.43Å; F163-Q166 PolarHBondContact O-N 3.21Å; F163-L167 HydrophobicContact CE1-CD2 4.49Å; F163-L167 PolarHBondContact O-N 3.02Å; F163-V282 HydrophobicContact CD1-CG1 4.18Å; F163-V282 HydrophobicContact CE1-CG1 3.94Å; F163-P354 HydrophobicContact CE2-CG 3.99Å; F163-P354 HydrophobicContact CZ-CG 3.57Å; F163-I376 HydrophobicContact CD1-CB 4.45Å; F163-I376 HydrophobicContact CD1-CD1 4.43Å; F163-I376 HydrophobicContact CD1-CG1 3.72Å; F163-I376 HydrophobicContact CD1-CG2 4.22Å; F163-I376 HydrophobicContact CD2-CG1 4.33Å; F163-I376 HydrophobicContact CE1-CD1 4.09Å; F163-I376 HydrophobicContact CE1-CG1 3.67Å; F163-I376 HydrophobicContact CE2-CG1 4.28Å; F163-I376 HydrophobicContact CG-CG1 4.06Å; F163-I376 HydrophobicContact CG-CG2 4.45Å; F163-I376 HydrophobicContact CZ-CG1 3.96Å; F163-T379 HydrophobicContact CB-CG2 4.02Å; F163-N380 PolarHBondContact N-OD1 3.41Å; F163-N380 VanDerWaalsContact N-OD1 3.09Å
164	Q	92	Very high	90	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-34.9	178	-69	89.7	-7.3	0	0	112.1	G159 H160 L167 F168 V282 L283 N380	G159-Q164 PolarHBondContact O-NE2 3.09Å; H160-Q164 WeakPolarHBondContact CE1-CB 3.46Å; Q164-L167 PolarHBondContact O-N 3.4Å; Q164-F168 VanDerWaalsContact O-CB 3.22Å; Q164-F168 WeakPolarHBondContact O-CB 3.47Å; Q164-F168 PolarHBondContact O-N 3.49Å; Q164-V282 HydrophobicContact CG-CG1 4.35Å; Q164-L283 HydrophobicContact CB-CD1 4.26Å; Q164-L283 HydrophobicContact CG-CD1 3.96Å; Q164-N380 PolarHBondContact NE2-ND2 3.3Å; Q164-N380 PolarHBondContact OE1-ND2 3.37Å; Q164-N380 PolarHBondContact OE1-OD1 3.1Å
165	W	92.1	Very high	90.5	Very high	105 Å²	105	32.6 Å²	32.6	40%	0.398	16%	0.159	S	C	.	.	H	α-helix	trans	-69.5	-37.5	174.5	-79.6	107.4	0	0	0	112.9	H160 S162 F163 F168 F169 H291	H160-W165 AromaticContact CD2-NE1 3.87Å; H160-W165 AromaticContact NE2-CD1 2.84Å; H160-W165 AromaticContact NE2-CD2 3.6Å; H160-W165 AromaticContact NE2-CE2 3.06Å; H160-W165 AromaticContact NE2-CG 3.49Å; H160-W165 AromaticContact NE2-CZ2 3.81Å; H160-W165 AromaticContact NE2-NE1 2.52Å; H160-W165 PolarHBondContact NE2-NE1 2.96Å; S162-W165 PolarHBondContact O-N 3.37Å; F163-W165 VanDerWaalsContact C-N 3.28Å; F163-W165 PolarHBondContact O-N 3.43Å; W165-F168 AromaticContact CE3-CD1 3.67Å; W165-F168 HydrophobicContact CE3-CD1 3.67Å; W165-F168 HydrophobicContact CE3-CE1 4.11Å; W165-F168 HydrophobicContact CE3-CG 4.27Å; W165-F168 AromaticContact CZ3-CD1 3.7Å; W165-F168 HydrophobicContact CZ3-CD1 3.7Å; W165-F168 AromaticContact CZ3-CE1 3.65Å; W165-F168 HydrophobicContact CZ3-CE1 3.65Å; W165-F168 HydrophobicContact CZ3-CG 4.42Å; W165-F168 HydrophobicContact CZ3-CZ 4.34Å; W165-F168 WeakPolarHBondContact O-CB 3.42Å; W165-F168 PolarHBondContact O-N 3.47Å; W165-F169 HydrophobicContact CE3-CE2 4.23Å; W165-F169 WeakPolarHBondContact O-CD2 3.3Å; W165-F169 PolarHBondContact O-N 2.76Å; W165-F169 VanDerWaalsContact O-N 3.11Å; W165-H291 AromaticContact CZ2-CE1 3.88Å
166	Q	93.1	Very high	90.9	Very high	95 Å²	95	33.8 Å²	33.8	44%	0.444	17%	0.165	S	C	.	.	H	α-helix	trans	-62	-48.5	171.7	-73.5	167	-17.4	0	0	110.7	S162 F163 F168 F169 V170 M353	S162-Q166 WeakPolarHBondContact O-CG 3.27Å; S162-Q166 PolarHBondContact O-N 2.95Å; F163-Q166 PolarHBondContact O-N 3.21Å; Q166-F168 VanDerWaalsContact C-N 3.34Å; Q166-F168 PolarHBondContact O-N 3.21Å; Q166-F169 PolarHBondContact O-N 3.45Å; Q166-V170 WeakPolarHBondContact O-CG2 3.34Å; Q166-V170 PolarHBondContact O-N 2.79Å; Q166-M353 HydrophobicContact CB-CE 4.05Å
167	L	93.3	Very high	91.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-41.6	177	-172	64.3	0	0	0	112.3	F163 Q164 F169 V170 L171 F278 F279 V282 M353	F163-L167 HydrophobicContact CE1-CD2 4.49Å; F163-L167 PolarHBondContact O-N 3.02Å; Q164-L167 PolarHBondContact O-N 3.4Å; L167-F169 VanDerWaalsContact C-N 3.35Å; L167-F169 PolarHBondContact O-N 2.85Å; L167-V170 PolarHBondContact O-N 2.88Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CD2-CD1 4.3Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 HydrophobicContact CG-CG 4.12Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.23Å; L167-F278 HydrophobicContact CD1-CE1 3.86Å; L167-F278 HydrophobicContact CD1-CZ 3.91Å; L167-F279 HydrophobicContact CD2-CD2 4.07Å; L167-F279 HydrophobicContact CG-CD2 4.12Å; L167-V282 HydrophobicContact CD2-CB 3.77Å; L167-V282 HydrophobicContact CD2-CG1 3.7Å; L167-V282 HydrophobicContact CD2-CG2 3.87Å; L167-M353 HydrophobicContact CB-CE 3.94Å; L167-M353 HydrophobicContact CD1-CE 4.02Å
168	F	94.6	Very high	91.9	Very high	11 Å²	11	25.6 Å²	25.6	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-55.9	-44.4	173.9	175.5	-100.9	0	0	0	112.6	Q164 W165 Q166 G172 F279 W294 L295 F298	Q164-F168 VanDerWaalsContact O-CB 3.22Å; Q164-F168 WeakPolarHBondContact O-CB 3.47Å; Q164-F168 PolarHBondContact O-N 3.49Å; W165-F168 AromaticContact CE3-CD1 3.67Å; W165-F168 HydrophobicContact CE3-CD1 3.67Å; W165-F168 HydrophobicContact CE3-CE1 4.11Å; W165-F168 HydrophobicContact CE3-CG 4.27Å; W165-F168 AromaticContact CZ3-CD1 3.7Å; W165-F168 HydrophobicContact CZ3-CD1 3.7Å; W165-F168 AromaticContact CZ3-CE1 3.65Å; W165-F168 HydrophobicContact CZ3-CE1 3.65Å; W165-F168 HydrophobicContact CZ3-CG 4.42Å; W165-F168 HydrophobicContact CZ3-CZ 4.34Å; W165-F168 WeakPolarHBondContact O-CB 3.42Å; W165-F168 PolarHBondContact O-N 3.47Å; Q166-F168 VanDerWaalsContact C-N 3.34Å; Q166-F168 PolarHBondContact O-N 3.21Å; F168-G172 WeakPolarHBondContact O-CA 3.47Å; F168-G172 PolarHBondContact O-N 3.36Å; F168-F279 HydrophobicContact CB-CE2 3.79Å; F168-F279 HydrophobicContact CB-CZ 3.71Å; F168-F279 AromaticContact CD2-CE1 3.95Å; F168-F279 HydrophobicContact CD2-CE1 3.95Å; F168-F279 HydrophobicContact CD2-CE2 4.42Å; F168-F279 AromaticContact CD2-CZ 3.62Å; F168-F279 HydrophobicContact CD2-CZ 3.62Å; F168-F279 HydrophobicContact CG-CZ 4.14Å; F168-W294 HydrophobicContact CE2-CB 3.81Å; F168-W294 HydrophobicContact CZ-CB 3.82Å; F168-L295 HydrophobicContact CD2-CB 4.24Å; F168-L295 HydrophobicContact CD2-CD1 4.15Å; F168-L295 HydrophobicContact CE2-CB 3.95Å; F168-L295 HydrophobicContact CE2-CD1 4.36Å; F168-F298 HydrophobicContact CD1-CE2 4.16Å; F168-F298 AromaticContact CE1-CE2 3.59Å; F168-F298 HydrophobicContact CE1-CE2 3.59Å; F168-F298 HydrophobicContact CE1-CZ 4.11Å; F168-F298 HydrophobicContact CE2-CE2 4.33Å; F168-F298 HydrophobicContact CZ-CD2 4.48Å; F168-F298 AromaticContact CZ-CE2 3.68Å; F168-F298 HydrophobicContact CZ-CE2 3.68Å
169	F	94.9	Very high	92.2	Very high	114 Å²	114	25.6 Å²	25.6	50%	0.5	13%	0.127	S	C	.	.	H	α-helix	trans	-70.9	-39.5	176.7	-74.8	-64.4	0	0	0	113.1	W165 Q166 L167 G172 L173 F298	W165-F169 HydrophobicContact CE3-CE2 4.23Å; W165-F169 WeakPolarHBondContact O-CD2 3.3Å; W165-F169 PolarHBondContact O-N 2.76Å; W165-F169 VanDerWaalsContact O-N 3.11Å; Q166-F169 PolarHBondContact O-N 3.45Å; L167-F169 VanDerWaalsContact C-N 3.35Å; L167-F169 PolarHBondContact O-N 2.85Å; F169-G172 PolarHBondContact O-N 2.78Å; F169-L173 WeakPolarHBondContact O-CG 3.48Å; F169-L173 PolarHBondContact O-N 3.28Å; F169-F298 HydrophobicContact CD1-CE1 4.37Å; F169-F298 AromaticContact CD1-CZ 3.74Å; F169-F298 HydrophobicContact CD1-CZ 3.74Å; F169-F298 HydrophobicContact CE1-CZ 4.05Å
170	V	95.1	Very high	92.8	Very high	16 Å²	16	25.3 Å²	25.3	10%	0.097	12%	0.124	C	C	.	.	H	α-helix	trans	-65.8	-45.3	178.4	175.9	0	0	0	0	111.5	Q166 L167 G172 L173 A174 A349 L350 M353	Q166-V170 WeakPolarHBondContact O-CG2 3.34Å; Q166-V170 PolarHBondContact O-N 2.79Å; L167-V170 PolarHBondContact O-N 2.88Å; V170-G172 VanDerWaalsContact C-N 3.34Å; V170-L173 PolarHBondContact O-N 3.42Å; V170-A174 PolarHBondContact O-N 3.42Å; V170-A349 HydrophobicContact CB-CB 4.4Å; V170-A349 HydrophobicContact CG1-CB 3.82Å; V170-A349 HydrophobicContact CG2-CB 3.95Å; V170-L350 HydrophobicContact CG1-CD2 3.74Å; V170-L350 HydrophobicContact CG1-CG 3.85Å; V170-M353 HydrophobicContact CB-CG 4.24Å; V170-M353 HydrophobicContact CG1-CG 3.97Å; V170-M353 HydrophobicContact CG2-CE 4.38Å; V170-M353 HydrophobicContact CG2-CG 4.02Å; V170-M353 HydrophobicContact CG2-SD 4.01Å
171	L	95.5	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73.2	-28.3	176.4	-62.6	-175.5	0	0	0	112.3	L167 A174 L175 L234 V275 F278 F279 L295 L350	L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.4Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CD2-CD1 4.3Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 HydrophobicContact CG-CG 4.12Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.23Å; L171-A174 WeakPolarHBondContact O-CB 3.45Å; L171-A174 PolarHBondContact O-N 3.43Å; L171-L175 PolarHBondContact O-N 2.97Å; L171-L234 HydrophobicContact CD2-CD2 3.77Å; L171-V275 HydrophobicContact CB-CG1 3.84Å; L171-V275 HydrophobicContact CD1-CG1 4.48Å; L171-V275 HydrophobicContact CD2-CG2 4.24Å; L171-F278 HydrophobicContact CD1-CB 4.45Å; L171-F278 HydrophobicContact CD1-CD1 3.97Å; L171-F278 HydrophobicContact CD1-CG 4.35Å; L171-F278 HydrophobicContact CD2-CD1 3.74Å; L171-F278 HydrophobicContact CD2-CE1 4.1Å; L171-F278 HydrophobicContact CG-CD1 4.45Å; L171-F279 HydrophobicContact CD1-CB 3.75Å; L171-F279 HydrophobicContact CD1-CD2 4Å; L171-F279 HydrophobicContact CD1-CG 4.25Å; L171-L295 HydrophobicContact CB-CD1 4.34Å; L171-L350 HydrophobicContact CD2-CD2 4.04Å
172	G	95.4	Very high	93.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-48	167.9	0	0	0	0	0	112.2	F168 F169 V170 A174 L175 M176 F298	F168-G172 WeakPolarHBondContact O-CA 3.47Å; F168-G172 PolarHBondContact O-N 3.36Å; F169-G172 PolarHBondContact O-N 2.78Å; V170-G172 VanDerWaalsContact C-N 3.34Å; G172-A174 PolarHBondContact O-N 3.38Å; G172-L175 PolarHBondContact O-N 3.2Å; G172-M176 WeakPolarHBondContact O-CB 3.46Å; G172-M176 PolarHBondContact O-N 2.84Å; G172-F298 VanDerWaalsContact CA-CD2 3.46Å; G172-F298 VanDerWaalsContact O-CB 3.22Å; G172-F298 WeakPolarHBondContact O-CB 3.46Å
173	L	94.7	Very high	93	Very high	52 Å²	52	23.6 Å²	23.6	27%	0.272	11%	0.107	S	C	.	.	H	α-helix	trans	-59	-34.5	174	-70.4	173.3	0	0	0	112.5	F169 V170 M176 S177 A346	F169-L173 WeakPolarHBondContact O-CG 3.48Å; F169-L173 PolarHBondContact O-N 3.28Å; V170-L173 PolarHBondContact O-N 3.42Å; L173-M176 HydrophobicContact CD2-CE 3.63Å; L173-M176 HydrophobicContact CD2-SD 4.45Å; L173-S177 PolarHBondContact O-N 2.98Å; L173-A346 HydrophobicContact CB-CB 4.06Å
174	A	95.5	Very high	92.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-47.9	174.6	0	0	0	0	0	112.2	V170 L171 G172 M176 S177 D178 M238 V275 A346	V170-A174 PolarHBondContact O-N 3.42Å; L171-A174 WeakPolarHBondContact O-CB 3.45Å; L171-A174 PolarHBondContact O-N 3.43Å; G172-A174 PolarHBondContact O-N 3.38Å; A174-M176 VanDerWaalsContact C-N 3.35Å; A174-M176 PolarHBondContact O-N 2.97Å; A174-S177 WeakPolarHBondContact O-CB 3.46Å; A174-S177 PolarHBondContact O-N 3.35Å; A174-S177 VanDerWaalsContact O-N 3.16Å; A174-D178 PolarHBondContact O-N 3.34Å; A174-D178 VanDerWaalsContact O-N 3.15Å; A174-M238 HydrophobicContact CB-CE 3.77Å; A174-M238 WeakPolarHBondContact O-CE 3.19Å; A174-V275 HydrophobicContact CB-CG2 3.85Å; A174-A346 HydrophobicContact CB-CB 4.37Å
175	L	94.4	Very high	92.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-68.4	-32	175.7	-73.2	169.1	0	0	0	113.4	L171 G172 S177 D178 G179 V272 V275 F276 L295 F298	L171-L175 PolarHBondContact O-N 2.97Å; G172-L175 PolarHBondContact O-N 3.2Å; L175-S177 PolarHBondContact O-N 2.73Å; L175-D178 PolarHBondContact O-N 2.95Å; L175-D178 VanDerWaalsContact O-N 3.16Å; L175-G179 PolarHBondContact O-N 2.59Å; L175-V272 HydrophobicContact CD2-CG2 4.1Å; L175-V275 HydrophobicContact CD1-CG1 3.63Å; L175-V275 HydrophobicContact CD2-CB 4.4Å; L175-V275 HydrophobicContact CD2-CG1 4.26Å; L175-V275 HydrophobicContact CG-CB 4.3Å; L175-V275 HydrophobicContact CG-CG1 3.74Å; L175-V275 HydrophobicContact CG-CG2 4.48Å; L175-F276 HydrophobicContact CD1-CD2 4.48Å; L175-F276 HydrophobicContact CD1-CE2 3.84Å; L175-F276 HydrophobicContact CD1-CZ 4.2Å; L175-F276 HydrophobicContact CD2-CD2 4.37Å; L175-F276 HydrophobicContact CD2-CE2 3.95Å; L175-L295 HydrophobicContact CD1-CD1 4.02Å; L175-L295 HydrophobicContact CD1-CD2 4.13Å; L175-L295 HydrophobicContact CD1-CG 3.62Å; L175-F298 HydrophobicContact CB-CB 4.33Å
176	M	94.9	Very high	91.8	Very high	27 Å²	27	21.3 Å²	21.3	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-37.9	171.3	-166.5	179.2	77.6	0	0	110.7	G172 L173 A174 V180 F298 I301 G302 P342	G172-M176 WeakPolarHBondContact O-CB 3.46Å; G172-M176 PolarHBondContact O-N 2.84Å; L173-M176 HydrophobicContact CD2-CE 3.63Å; L173-M176 HydrophobicContact CD2-SD 4.45Å; A174-M176 VanDerWaalsContact C-N 3.35Å; A174-M176 PolarHBondContact O-N 2.97Å; M176-V180 WeakPolarHBondContact O-CG2 3.16Å; M176-V180 PolarHBondContact O-N 3.35Å; M176-V180 VanDerWaalsContact O-N 3.1Å; M176-F298 VanDerWaalsContact CA-O 3.31Å; M176-F298 WeakPolarHBondContact CA-O 3.43Å; M176-F298 HydrophobicContact CB-CB 4.46Å; M176-I301 HydrophobicContact CG-CG2 4.34Å; M176-I301 HydrophobicContact SD-CG2 3.82Å; M176-G302 WeakPolarHBondContact O-CA 3.35Å; M176-P342 HydrophobicContact CE-CB 3.73Å; M176-P342 HydrophobicContact CE-CG 3.95Å
177	S	93.9	Very high	91.3	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-70	-31.1	173.2	-172.2	0	0	0	0	114.1	L173 A174 L175 E181 C343	L173-S177 PolarHBondContact O-N 2.98Å; A174-S177 WeakPolarHBondContact O-CB 3.46Å; A174-S177 PolarHBondContact O-N 3.35Å; A174-S177 VanDerWaalsContact O-N 3.16Å; L175-S177 PolarHBondContact O-N 2.73Å; S177-E181 PolarHBondContact O-N 3.41Å; S177-C343 WeakPolarHBondContact OG-CA 3.49Å; S177-C343 WeakPolarHBondContact OG-CB 3.42Å; S177-C343 PolarHBondContact OG-SG 3.37Å
178	D	92.9	Very high	90.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-67.6	-50.8	174.6	-179.2	102.6	0	0	0	110.8	A174 L175 V180 E181 V182 I268 A271 W299	A174-D178 PolarHBondContact O-N 3.34Å; A174-D178 VanDerWaalsContact O-N 3.15Å; L175-D178 PolarHBondContact O-N 2.95Å; L175-D178 VanDerWaalsContact O-N 3.16Å; D178-V180 VanDerWaalsContact C-N 3.3Å; D178-V180 PolarHBondContact O-N 3.14Å; D178-E181 PolarHBondContact O-N 3.42Å; D178-V182 WeakPolarHBondContact O-CG2 3.4Å; D178-V182 PolarHBondContact O-N 3.02Å; D178-V182 VanDerWaalsContact O-N 3.15Å; D178-I268 HydrophobicContact CB-CD1 4.03Å; D178-I268 HydrophobicContact CB-CG1 4.03Å; D178-A271 HydrophobicContact CB-CB 4.35Å; D178-W299 PolarHBondContact OD2-NE1 3.09Å
179	G	91.4	Very high	89.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.3	-44.7	176.2	0	0	0	0	0	112.1	L175 V182 F183	L175-G179 PolarHBondContact O-N 2.59Å; G179-V182 PolarHBondContact O-N 3.32Å; G179-F183 WeakPolarHBondContact O-CD2 3.21Å; G179-F183 PolarHBondContact O-N 3.19Å; G179-F183 VanDerWaalsContact O-N 3.16Å
180	V	93.3	Very high	88.9	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-52.3	177.3	169.5	0	0	0	0	112.3	M176 D178 V182 F183 V184 G302 Y305 A306 C339 P342	M176-V180 WeakPolarHBondContact O-CG2 3.16Å; M176-V180 PolarHBondContact O-N 3.35Å; M176-V180 VanDerWaalsContact O-N 3.1Å; D178-V180 VanDerWaalsContact C-N 3.3Å; D178-V180 PolarHBondContact O-N 3.14Å; V180-V182 VanDerWaalsContact C-N 3.32Å; V180-V182 PolarHBondContact O-N 3.45Å; V180-F183 PolarHBondContact O-N 3.49Å; V180-V184 HydrophobicContact CG1-CG2 3.81Å; V180-V184 WeakPolarHBondContact O-CB 3.38Å; V180-V184 WeakPolarHBondContact O-CG2 3.38Å; V180-V184 PolarHBondContact O-N 3.05Å; V180-G302 VanDerWaalsContact CG2-O 3.24Å; V180-G302 WeakPolarHBondContact CG2-O 3.23Å; V180-Y305 HydrophobicContact CG2-CD1 3.72Å; V180-A306 HydrophobicContact CG2-CB 4.42Å; V180-C339 HydrophobicContact CG1-CB 3.48Å; V180-C339 VanDerWaalsContact CG1-CB 3.48Å; V180-C339 WeakPolarHBondContact CG1-O 3.3Å; V180-P342 HydrophobicContact CG2-CG 4.46Å
181	E	90.2	Very high	88	Confident	7 Å²	7	16.4 Å²	16.4	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-35.9	-176.2	-173.8	59.2	-155.1	0	0	112.1	S177 D178 R261 I268	S177-E181 PolarHBondContact O-N 3.41Å; D178-E181 PolarHBondContact O-N 3.42Å; E181-R261 IonicContact OE1-CZ 3.74Å; E181-R261 IonicContact OE1-NE 2.99Å; E181-R261 IonicContact OE1-NH1 2.9Å; E181-R261 PolarHBondContact OE1-NH1 3.34Å; E181-R261 IonicContact OE2-NH1 2.73Å; E181-I268 HydrophobicContact CB-CG1 4.44Å; E181-I268 HydrophobicContact CG-CG2 4.34Å
182	V	88.2	Confident	87.1	Confident	8 Å²	8	16.4 Å²	16.4	5%	0.048	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-48.4	175.4	172.7	0	0	0	0	111.6	D178 G179 V180 Y211 M214 W299	D178-V182 WeakPolarHBondContact O-CG2 3.4Å; D178-V182 PolarHBondContact O-N 3.02Å; D178-V182 VanDerWaalsContact O-N 3.15Å; G179-V182 PolarHBondContact O-N 3.32Å; V180-V182 VanDerWaalsContact C-N 3.32Å; V180-V182 PolarHBondContact O-N 3.45Å; V182-Y211 HydrophobicContact CG1-CE1 4.37Å; V182-M214 HydrophobicContact CG2-CE 3.48Å; V182-M214 VanDerWaalsContact CG2-CE 3.48Å; V182-M214 HydrophobicContact CG2-SD 3.82Å; V182-W299 HydrophobicContact CG1-CZ2 4.41Å
183	F	86.6	Confident	86	Confident	45 Å²	45	18.1 Å²	18.1	20%	0.197	11%	0.109	C	C	.	.	H	α-helix	trans	-82.2	-26.4	-176.3	-70.9	-71.2	0	0	0	114	G179 V180 V185 G186 F187 W299 E303 A306	G179-F183 WeakPolarHBondContact O-CD2 3.21Å; G179-F183 PolarHBondContact O-N 3.19Å; G179-F183 VanDerWaalsContact O-N 3.16Å; V180-F183 PolarHBondContact O-N 3.49Å; F183-V185 PolarHBondContact O-N 3.09Å; F183-G186 PolarHBondContact O-N 3.19Å; F183-G186 VanDerWaalsContact O-N 3.13Å; F183-F187 HydrophobicContact CB-CE2 4.15Å; F183-F187 VanDerWaalsContact O-CD2 3.29Å; F183-F187 WeakPolarHBondContact O-CD2 3.29Å; F183-F187 PolarHBondContact O-N 3.33Å; F183-W299 HydrophobicContact CE2-CE3 4.47Å; F183-W299 AromaticContact CE2-CH2 3.47Å; F183-W299 HydrophobicContact CE2-CH2 3.47Å; F183-W299 VanDerWaalsContact CE2-CH2 3.47Å; F183-W299 HydrophobicContact CE2-CZ2 4.02Å; F183-W299 AromaticContact CE2-CZ3 3.72Å; F183-W299 HydrophobicContact CE2-CZ3 3.72Å; F183-W299 AromaticContact CZ-CH2 3.71Å; F183-W299 HydrophobicContact CZ-CH2 3.71Å; F183-W299 HydrophobicContact CZ-CZ3 4Å; F183-E303 HydrophobicContact CD1-CG 4.36Å; F183-E303 HydrophobicContact CD2-CB 3.61Å; F183-E303 HydrophobicContact CD2-CG 3.62Å; F183-E303 HydrophobicContact CE1-CG 4.18Å; F183-E303 HydrophobicContact CE2-CB 3.52Å; F183-E303 HydrophobicContact CE2-CG 3.44Å; F183-E303 VanDerWaalsContact CE2-CG 3.44Å; F183-E303 HydrophobicContact CG-CB 4.48Å; F183-E303 HydrophobicContact CG-CG 4.1Å; F183-E303 HydrophobicContact CZ-CB 4.29Å; F183-E303 HydrophobicContact CZ-CG 3.73Å; F183-A306 HydrophobicContact CB-CB 4.21Å
184	V	87.7	Confident	84.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-54.8	-38.8	176	160.7	0	0	0	0	112.2	V180 G186 F187 V188 F335 V336 C339	V180-V184 HydrophobicContact CG1-CG2 3.81Å; V180-V184 WeakPolarHBondContact O-CB 3.38Å; V180-V184 WeakPolarHBondContact O-CG2 3.38Å; V180-V184 PolarHBondContact O-N 3.05Å; V184-G186 VanDerWaalsContact C-N 3.31Å; V184-G186 PolarHBondContact O-N 3.23Å; V184-F187 PolarHBondContact O-N 3.36Å; V184-V188 HydrophobicContact CG1-CG2 3.98Å; V184-V188 WeakPolarHBondContact O-CB 3.2Å; V184-V188 VanDerWaalsContact O-CG2 3.32Å; V184-V188 WeakPolarHBondContact O-CG2 3.28Å; V184-V188 PolarHBondContact O-N 2.91Å; V184-F335 HydrophobicContact CB-CE1 4.29Å; V184-F335 HydrophobicContact CG1-CE1 4.05Å; V184-F335 HydrophobicContact CG2-CE1 3.97Å; V184-F335 HydrophobicContact CG2-CZ 3.8Å; V184-V336 HydrophobicContact CG1-CG2 4.22Å; V184-C339 HydrophobicContact CG2-CB 3.52Å; V184-C339 WeakPolarHBondContact CG2-SG 3.46Å
185	V	82.6	Confident	83.9	Confident	16 Å²	16	20.7 Å²	20.7	10%	0.097	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-44.2	179.8	-178.4	0	0	0	0	110.9	F183 V188 L189 V210	F183-V185 PolarHBondContact O-N 3.09Å; V185-V188 PolarHBondContact O-N 3.12Å; V185-L189 WeakPolarHBondContact O-CB 3.36Å; V185-L189 PolarHBondContact O-N 2.67Å; V185-V210 HydrophobicContact CG1-CG2 4.39Å; V185-V210 HydrophobicContact CG2-CB 4.31Å; V185-V210 HydrophobicContact CG2-CG1 4.18Å; V185-V210 HydrophobicContact CG2-CG2 3.98Å
186	G	78.9	Confident	83	Confident	50 Å²	50	22.3 Å²	22.3	52%	0.515	13%	0.133	S	C	.	.	H	α-helix	trans	-65.6	-37	179.2	0	0	0	0	0	113.8	F183 V184	F183-G186 PolarHBondContact O-N 3.19Å; F183-G186 VanDerWaalsContact O-N 3.13Å; V184-G186 VanDerWaalsContact C-N 3.31Å; V184-G186 PolarHBondContact O-N 3.23Å
187	F	82.2	Confident	81.8	Confident	22 Å²	22	24.3 Å²	24.3	10%	0.096	15%	0.149	C	C	.	.	H	α-helix	trans	-77.6	-30.1	177.6	-64.2	-54.6	0	0	0	113.5	F183 V184 A306 A310 I314 F335 Y597 N600	F183-F187 HydrophobicContact CB-CE2 4.15Å; F183-F187 VanDerWaalsContact O-CD2 3.29Å; F183-F187 WeakPolarHBondContact O-CD2 3.29Å; F183-F187 PolarHBondContact O-N 3.33Å; V184-F187 PolarHBondContact O-N 3.36Å; F187-A306 HydrophobicContact CE2-CB 4.3Å; F187-A310 HydrophobicContact CB-CB 3.94Å; F187-A310 HydrophobicContact CD1-CB 4.12Å; F187-A310 HydrophobicContact CD2-CB 4.02Å; F187-A310 HydrophobicContact CG-CB 3.76Å; F187-I314 HydrophobicContact CB-CD1 4.39Å; F187-F335 HydrophobicContact CB-CE1 3.93Å; F187-F335 HydrophobicContact CB-CZ 4.11Å; F187-F335 HydrophobicContact CD2-CZ 4.24Å; F187-Y597 HydrophobicContact CB-CE1 4.17Å; F187-Y597 AromaticContact CD1-CD1 3.94Å; F187-Y597 HydrophobicContact CD1-CD1 3.94Å; F187-Y597 AromaticContact CD1-CE1 3.84Å; F187-Y597 HydrophobicContact CD1-CE1 3.84Å; F187-Y597 HydrophobicContact CG-CE1 4.4Å; F187-Y597 PolarHBondContact O-OH 3.44Å; F187-N600 HydrophobicContact CE1-CB 3.97Å
188	V	82.4	Confident	80.6	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-78	-37.4	178.2	168.4	0	0	0	0	112.3	V184 V185 S191 A192 F257 W332 F335 V336	V184-V188 HydrophobicContact CG1-CG2 3.98Å; V184-V188 WeakPolarHBondContact O-CB 3.2Å; V184-V188 VanDerWaalsContact O-CG2 3.32Å; V184-V188 WeakPolarHBondContact O-CG2 3.28Å; V184-V188 PolarHBondContact O-N 2.91Å; V185-V188 PolarHBondContact O-N 3.12Å; V188-S191 PolarHBondContact O-N 3.2Å; V188-A192 HydrophobicContact CG1-CB 3.91Å; V188-A192 PolarHBondContact O-N 3.37Å; V188-F257 HydrophobicContact CG1-CZ 4.22Å; V188-W332 HydrophobicContact CG1-CD2 4.27Å; V188-W332 HydrophobicContact CG1-CE3 3.53Å; V188-W332 HydrophobicContact CG1-CZ3 3.72Å; V188-W332 HydrophobicContact CG2-CE3 4.39Å; V188-F335 HydrophobicContact CG2-CD1 3.76Å; V188-F335 HydrophobicContact CG2-CE1 3.87Å; V188-V336 HydrophobicContact CG2-CG2 3.61Å
189	L	76.3	Confident	79.2	Confident	32 Å²	32	29.3 Å²	29.3	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-45.3	-52.7	-168.9	-179	64	0	0	0	114.3	V185 S191 A192 E193 L206	V185-L189 WeakPolarHBondContact O-CB 3.36Å; V185-L189 PolarHBondContact O-N 2.67Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.37Å; L189-A192 PolarHBondContact O-N 3.08Å; L189-E193 HydrophobicContact CD1-CG 4.22Å; L189-E193 WeakPolarHBondContact CD1-OE1 3.09Å; L189-E193 VanDerWaalsContact CG-OE1 3.32Å; L189-E193 WeakPolarHBondContact CG-OE1 3.42Å; L189-E193 WeakPolarHBondContact O-CG 3.06Å; L189-E193 PolarHBondContact O-N 3.49Å; L189-L206 HydrophobicContact CD1-CB 3.84Å; L189-L206 HydrophobicContact CD1-CD2 3.52Å; L189-L206 HydrophobicContact CD1-CG 3.83Å
190	P	74.3	Confident	77.7	Confident	69 Å²	69	36.3 Å²	36.3	45%	0.448	22%	0.218	S	C	.	.	H	α-helix	trans	-69.3	-25.8	-176.9	-16.9	32.5	0	0	0	113.7	T194	P190-T194 PolarHBondContact O-OG1 2.96Å
191	S	76.4	Confident	75.9	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-83.2	-32.9	177.8	-60.1	0	0	0	0	112	V188 L189 T194 D195	V188-S191 PolarHBondContact O-N 3.2Å; L189-S191 VanDerWaalsContact C-N 3.29Å; L189-S191 PolarHBondContact O-N 3.37Å; S191-T194 PolarHBondContact O-OG1 2.67Å; S191-D195 VanDerWaalsContact O-CB 3.27Å; S191-D195 WeakPolarHBondContact O-CB 3.39Å; S191-D195 PolarHBondContact O-N 3.07Å; S191-D195 VanDerWaalsContact O-N 3.11Å
192	A	77	Confident	74.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-73.4	-37.4	175.7	0	0	0	0	0	112.2	V188 L189 T194 M196 W332	V188-A192 HydrophobicContact CG1-CB 3.91Å; V188-A192 PolarHBondContact O-N 3.37Å; L189-A192 PolarHBondContact O-N 3.08Å; A192-T194 VanDerWaalsContact C-N 3.33Å; A192-T194 PolarHBondContact O-N 3.49Å; A192-M196 WeakPolarHBondContact O-CB 3.29Å; A192-M196 WeakPolarHBondContact O-CG 3.4Å; A192-M196 PolarHBondContact O-N 2.83Å; A192-W332 HydrophobicContact CB-CH2 4.12Å; A192-W332 HydrophobicContact CB-CZ2 4.01Å
193	E	72.4	Confident	72.9	Confident	35 Å²	35	43.9 Å²	43.9	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-39.9	176.2	-74.9	169.1	-177.2	0	0	112.9	L189 C197 I198 S203	L189-E193 HydrophobicContact CD1-CG 4.22Å; L189-E193 WeakPolarHBondContact CD1-OE1 3.09Å; L189-E193 VanDerWaalsContact CG-OE1 3.32Å; L189-E193 WeakPolarHBondContact CG-OE1 3.42Å; L189-E193 WeakPolarHBondContact O-CG 3.06Å; L189-E193 PolarHBondContact O-N 3.49Å; E193-C197 PolarHBondContact O-N 3.4Å; E193-I198 HydrophobicContact CB-CB 4.37Å; E193-I198 HydrophobicContact CG-CB 4.41Å; E193-I198 HydrophobicContact CG-CD1 4.36Å; E193-I198 PolarHBondContact O-N 3.3Å; E193-S203 WeakPolarHBondContact OE1-CA 3.48Å; E193-S203 WeakPolarHBondContact OE1-CB 3.28Å; E193-S203 PolarHBondContact OE1-OG 3.46Å
194	T	71.9	Confident	71.7	Confident	68 Å²	68	43.9 Å²	43.9	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-78.6	-35.9	179.9	43.6	0	0	0	0	112.7	P190 S191 A192 M585	P190-T194 PolarHBondContact O-OG1 2.96Å; S191-T194 PolarHBondContact O-OG1 2.67Å; A192-T194 VanDerWaalsContact C-N 3.33Å; A192-T194 PolarHBondContact O-N 3.49Å; T194-M585 WeakPolarHBondContact OG1-CE 3.25Å
195	D	74.5	Confident	70.7	Confident	39 Å²	39	52.5 Å²	52.5	21%	0.209	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-40.8	170.3	-175.4	40.5	0	0	0	112.2	S191 H330 W332 R333	S191-D195 VanDerWaalsContact O-CB 3.27Å; S191-D195 WeakPolarHBondContact O-CB 3.39Å; S191-D195 PolarHBondContact O-N 3.07Å; S191-D195 VanDerWaalsContact O-N 3.11Å; D195-H330 IonicContact OD1-CD2 3.61Å; D195-H330 PolarHBondContact OD1-CD2 3.23Å; D195-H330 IonicContact OD1-NE2 3.64Å; D195-W332 HydrophobicContact CB-CZ2 4.4Å; D195-W332 VanDerWaalsContact OD2-CZ2 3.23Å; D195-W332 WeakPolarHBondContact OD2-CZ2 3.22Å; D195-W332 PolarHBondContact OD2-NE1 3.28Å; D195-R333 IonicContact OD2-CZ 3.72Å; D195-R333 IonicContact OD2-NE 3.7Å; D195-R333 PolarHBondContact OD2-NE 3.39Å; D195-R333 IonicContact OD2-NH2 3.3Å; D195-R333 PolarHBondContact OD2-NH2 3.45Å
196	M	74.1	Confident	70	Confident	34 Å²	34	51.9 Å²	51.9	17%	0.167	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	13.1	-172.8	-61.3	-175.3	-174.3	0	0	115.1	A192 I198 Y254 F257 W332	A192-M196 WeakPolarHBondContact O-CB 3.29Å; A192-M196 WeakPolarHBondContact O-CG 3.4Å; A192-M196 PolarHBondContact O-N 2.83Å; M196-I198 VanDerWaalsContact C-N 3.32Å; M196-I198 HydrophobicContact CB-CD1 3.99Å; M196-I198 HydrophobicContact CB-CG1 3.76Å; M196-I198 PolarHBondContact O-N 2.88Å; M196-Y254 HydrophobicContact SD-CD2 3.99Å; M196-Y254 HydrophobicContact SD-CG 4.36Å; M196-F257 HydrophobicContact CE-CB 4.3Å; M196-F257 HydrophobicContact CE-CD1 4.46Å; M196-F257 HydrophobicContact CE-CG 4.19Å; M196-W332 HydrophobicContact CE-CH2 4Å; M196-W332 HydrophobicContact CE-CZ2 4.1Å
197	C	71.5	Confident	69.7	Low	70 Å²	70	50.3 Å²	50.3	47%	0.473	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.9	-179	-68.9	0	0	0	0	114.5	E193 C583	E193-C197 PolarHBondContact O-N 3.4Å; C197-C583 WeakPolarHBondContact CA-SG 3.41Å; C197-C583 HydrophobicContact CB-CB 4.25Å; C197-C583 WeakPolarHBondContact CB-SG 3.36Å; C197-C583 WeakPolarHBondContact SG-CB 3.39Å; C197-C583 CovalentContact SG-SG 2.03Å; C197-C583 PolarHBondContact SG-SG 2.69Å
198	I	67.9	Low	69.6	Low	20 Å²	20	50.1 Å²	50.1	10%	0.103	30%	0.299	C	S	.	.			trans	-80.1	129.6	-170.4	-57.8	-170.7	0	0	0	111.4	E193 M196 N200 S202 Y254	E193-I198 HydrophobicContact CB-CB 4.37Å; E193-I198 HydrophobicContact CG-CB 4.41Å; E193-I198 HydrophobicContact CG-CD1 4.36Å; E193-I198 PolarHBondContact O-N 3.3Å; M196-I198 VanDerWaalsContact C-N 3.32Å; M196-I198 HydrophobicContact CB-CD1 3.99Å; M196-I198 HydrophobicContact CB-CG1 3.76Å; M196-I198 PolarHBondContact O-N 2.88Å; I198-N200 PolarHBondContact O-N 3.49Å; I198-S202 WeakPolarHBondContact CG2-OG 3.48Å; I198-Y254 HydrophobicContact CD1-CD1 4.26Å; I198-Y254 HydrophobicContact CD1-CD2 3.48Å; I198-Y254 VanDerWaalsContact CD1-CD2 3.48Å; I198-Y254 HydrophobicContact CD1-CE1 4.21Å; I198-Y254 HydrophobicContact CD1-CE2 3.45Å; I198-Y254 VanDerWaalsContact CD1-CE2 3.45Å; I198-Y254 HydrophobicContact CD1-CG 3.91Å
199	P	63.3	Low	69.7	Low	87 Å²	87	52.2 Å²	52.2	57%	0.565	31%	0.309	S	S	*	.			trans	-70.3	130.2	172.8	27.7	-32.5	0	0	0	111.1	S201 S202	P199-S201 PolarHBondContact O-N 3.22Å; P199-S202 PolarHBondContact O-N 3.17Å; P199-S202 PolarHBondContact O-OG 2.76Å
200	N	59.1	Low	70.2	Confident	148 Å²	148	50.9 Å²	50.9	79%	0.791	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-46.6	-29.7	-170.4	-62.8	-9.4	0	0	0	115.9	I198 S202 S203	I198-N200 PolarHBondContact O-N 3.49Å; N200-S202 PolarHBondContact O-N 3Å; N200-S203 WeakPolarHBondContact O-CB 3.26Å; N200-S203 PolarHBondContact O-N 3.16Å
201	S	56.7	Low	70.9	Confident	112 Å²	112	49.3 Å²	49.3	78%	0.783	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68.2	-14.3	178.6	57.7	0	0	0	0	114.7	P199	P199-S201 PolarHBondContact O-N 3.22Å
202	S	58	Low	71.6	Confident	32 Å²	32	53 Å²	53	22%	0.224	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-104.6	-6.7	-178.7	60.9	0	0	0	0	114.6	I198 P199 N200 Y254	I198-S202 WeakPolarHBondContact CG2-OG 3.48Å; P199-S202 PolarHBondContact O-N 3.17Å; P199-S202 PolarHBondContact O-OG 2.76Å; N200-S202 PolarHBondContact O-N 3Å; S202-Y254 PolarHBondContact O-OH 2.69Å
203	S	56.9	Low	72.3	Confident	30 Å²	30	53.1 Å²	53.1	21%	0.21	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-62.5	177.4	164.9	0	0	0	0	114	E193 N200 W205 L206	E193-S203 WeakPolarHBondContact OE1-CA 3.48Å; E193-S203 WeakPolarHBondContact OE1-CB 3.28Å; E193-S203 PolarHBondContact OE1-OG 3.46Å; N200-S203 WeakPolarHBondContact O-CB 3.26Å; N200-S203 PolarHBondContact O-N 3.16Å; S203-W205 PolarHBondContact O-N 3.37Å; S203-L206 PolarHBondContact O-N 2.97Å; S203-L206 VanDerWaalsContact O-N 3.13Å
204	G	62.1	Low	73.3	Confident	46 Å²	46	51.5 Å²	51.5	47%	0.474	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-12.8	-169.3	0	0	0	0	0	116.2	S208	G204-S208 PolarHBondContact O-N 2.94Å; G204-S208 PolarHBondContact O-OG 3.39Å; G204-S208 VanDerWaalsContact O-OG 3.05Å
205	W	66.1	Low	74.4	Confident	180 Å²	180	50.7 Å²	50.7	68%	0.682	29%	0.292	S	S	*	.	H	α-helix	trans	-69.7	-36.1	175.1	-75.7	97.6	0	0	0	112.6	S203 G207 S208 I209	S203-W205 PolarHBondContact O-N 3.37Å; W205-G207 VanDerWaalsContact C-N 3.35Å; W205-G207 PolarHBondContact O-N 3.49Å; W205-S208 PolarHBondContact O-N 2.93Å; W205-I209 WeakPolarHBondContact O-CB 3.1Å; W205-I209 PolarHBondContact O-N 2.99Å
206	L	68	Low	75.3	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-38	-178.7	171.7	56.2	0	0	0	112	L189 S203 Y254 F257 L258	L189-L206 HydrophobicContact CD1-CB 3.84Å; L189-L206 HydrophobicContact CD1-CD2 3.52Å; L189-L206 HydrophobicContact CD1-CG 3.83Å; S203-L206 PolarHBondContact O-N 2.97Å; S203-L206 VanDerWaalsContact O-N 3.13Å; L206-Y254 HydrophobicContact CB-CE2 4.44Å; L206-Y254 HydrophobicContact CD2-CE2 4.2Å; L206-F257 HydrophobicContact CD1-CD1 4.16Å; L206-F257 HydrophobicContact CD1-CE1 3.79Å; L206-F257 HydrophobicContact CD2-CD1 4.41Å; L206-F257 HydrophobicContact CD2-CE1 3.81Å; L206-F257 HydrophobicContact CG-CE1 4.48Å; L206-L258 HydrophobicContact CB-CD2 3.99Å; L206-L258 HydrophobicContact CD1-CD2 3.61Å; L206-L258 HydrophobicContact CD1-CG 4.48Å; L206-L258 HydrophobicContact CG-CD2 4.36Å
207	G	71.6	Confident	76.3	Confident	17 Å²	17	50.6 Å²	50.6	18%	0.175	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-48.6	171.3	0	0	0	0	0	112.6	W205 I209 Y211	W205-G207 VanDerWaalsContact C-N 3.35Å; W205-G207 PolarHBondContact O-N 3.49Å; G207-I209 PolarHBondContact O-N 3.44Å; G207-Y211 VanDerWaalsContact O-CD2 3.31Å; G207-Y211 WeakPolarHBondContact O-CD2 3.46Å
208	S	81.4	Confident	77.3	Confident	17 Å²	17	47.3 Å²	47.3	12%	0.119	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-31.5	-173.6	-58.3	0	0	0	0	113.9	G204 W205 V210 Y211 L212	G204-S208 PolarHBondContact O-N 2.94Å; G204-S208 PolarHBondContact O-OG 3.39Å; G204-S208 VanDerWaalsContact O-OG 3.05Å; W205-S208 PolarHBondContact O-N 2.93Å; S208-V210 VanDerWaalsContact C-N 3.33Å; S208-V210 PolarHBondContact O-N 2.89Å; S208-Y211 PolarHBondContact O-N 3.41Å; S208-L212 PolarHBondContact O-N 3.11Å; S208-L212 VanDerWaalsContact O-N 3.14Å
209	I	84.4	Confident	78.5	Confident	47 Å²	47	49.9 Å²	49.9	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-70.7	-28.1	-175.2	-145.4	179.2	0	0	0	112.7	W205 G207 L212 G213 L258 V262	W205-I209 WeakPolarHBondContact O-CB 3.1Å; W205-I209 PolarHBondContact O-N 2.99Å; G207-I209 PolarHBondContact O-N 3.44Å; I209-L212 PolarHBondContact O-N 3.04Å; I209-G213 PolarHBondContact O-N 3.19Å; I209-L258 HydrophobicContact CG2-CD2 3.82Å; I209-V262 HydrophobicContact CB-CG2 4.11Å; I209-V262 HydrophobicContact CD1-CG2 3.6Å; I209-V262 HydrophobicContact CG1-CG2 3.51Å; I209-V262 HydrophobicContact CG2-CG2 3.73Å
210	V	86.8	Confident	80	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-72.1	-42.7	177	-176.1	0	0	0	0	110.7	V185 S208 L212 G213 M214 R261	V185-V210 HydrophobicContact CG1-CG2 4.39Å; V185-V210 HydrophobicContact CG2-CB 4.31Å; V185-V210 HydrophobicContact CG2-CG1 4.18Å; V185-V210 HydrophobicContact CG2-CG2 3.98Å; S208-V210 VanDerWaalsContact C-N 3.33Å; S208-V210 PolarHBondContact O-N 2.89Å; V210-L212 VanDerWaalsContact C-N 3.26Å; V210-L212 PolarHBondContact O-N 3.19Å; V210-G213 CarbonylContact O-C 3.55Å; V210-G213 WeakPolarHBondContact O-CA 3.41Å; V210-G213 PolarHBondContact O-N 3.08Å; V210-G213 VanDerWaalsContact O-N 3.08Å; V210-M214 WeakPolarHBondContact O-CG 3.27Å; V210-M214 PolarHBondContact O-N 2.94Å; V210-R261 HydrophobicContact CG2-CB 3.86Å
211	Y	88.8	Confident	81.6	Confident	36 Å²	36	42.7 Å²	42.7	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-35.4	171.6	-70.5	-71.8	0	0	0	112.4	V182 G207 S208 M214 M215 K693 A696	V182-Y211 HydrophobicContact CG1-CE1 4.37Å; G207-Y211 VanDerWaalsContact O-CD2 3.31Å; G207-Y211 WeakPolarHBondContact O-CD2 3.46Å; S208-Y211 PolarHBondContact O-N 3.41Å; Y211-M214 HydrophobicContact CD1-SD 4.34Å; Y211-M214 PolarHBondContact O-N 3.38Å; Y211-M215 WeakPolarHBondContact O-CB 3.21Å; Y211-M215 PolarHBondContact O-N 2.99Å; Y211-K693 HydrophobicContact CD1-CD 4.19Å; Y211-A696 HydrophobicContact CD1-CB 4.43Å
212	L	90.6	Very high	83.3	Confident	85 Å²	85	37.4 Å²	37.4	45%	0.445	20%	0.199	S	C	.	.	H	α-helix	trans	-66.3	-39.5	172.5	-172	151.3	0	0	0	111.8	S208 I209 V210 M215 V216	S208-L212 PolarHBondContact O-N 3.11Å; S208-L212 VanDerWaalsContact O-N 3.14Å; I209-L212 PolarHBondContact O-N 3.04Å; V210-L212 VanDerWaalsContact C-N 3.26Å; V210-L212 PolarHBondContact O-N 3.19Å; L212-M215 HydrophobicContact CG-CE 4.23Å; L212-M215 WeakPolarHBondContact O-CB 3.41Å; L212-M215 PolarHBondContact O-N 3Å; L212-V216 PolarHBondContact O-N 3.35Å
213	G	93	Very high	84.8	Confident	3 Å²	3	35.9 Å²	35.9	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-50.4	168.9	0	0	0	0	0	112.1	I209 V210 M215 V216 G217 F266	I209-G213 PolarHBondContact O-N 3.19Å; V210-G213 CarbonylContact O-C 3.55Å; V210-G213 WeakPolarHBondContact O-CA 3.41Å; V210-G213 PolarHBondContact O-N 3.08Å; V210-G213 VanDerWaalsContact O-N 3.08Å; G213-M215 VanDerWaalsContact C-N 3.31Å; G213-M215 PolarHBondContact O-N 3.11Å; G213-V216 PolarHBondContact O-N 3.34Å; G213-G217 PolarHBondContact O-N 3.47Å; G213-F266 WeakPolarHBondContact O-CA 3.24Å
214	M	93.3	Very high	86.4	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-37.4	177.1	-65.8	-175.6	95.4	0	0	113	V182 V210 Y211 G217 A218 G265 I268 K693	V182-M214 HydrophobicContact CG2-CE 3.48Å; V182-M214 VanDerWaalsContact CG2-CE 3.48Å; V182-M214 HydrophobicContact CG2-SD 3.82Å; V210-M214 WeakPolarHBondContact O-CG 3.27Å; V210-M214 PolarHBondContact O-N 2.94Å; Y211-M214 HydrophobicContact CD1-SD 4.34Å; Y211-M214 PolarHBondContact O-N 3.38Å; M214-G217 PolarHBondContact O-N 3.35Å; M214-A218 VanDerWaalsContact O-CB 3.25Å; M214-A218 WeakPolarHBondContact O-CB 3.49Å; M214-A218 PolarHBondContact O-N 3.4Å; M214-G265 VanDerWaalsContact CA-O 3.26Å; M214-G265 WeakPolarHBondContact CA-O 3.33Å; M214-G265 PolarHBondContact N-O 3.23Å; M214-I268 HydrophobicContact CE-CG2 4.05Å; M214-I268 HydrophobicContact CG-CG2 4.17Å; M214-K693 HydrophobicContact CB-CD 4.15Å; M214-K693 HydrophobicContact CB-CG 3.92Å; M214-K693 HydrophobicContact SD-CD 4.06Å
215	M	94	Very high	87.8	Confident	50 Å²	50	33.5 Å²	33.5	25%	0.246	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-48.4	176.7	177.6	-173.6	72.6	0	0	111.5	Y211 L212 G213 F219 A690 K693 L694	Y211-M215 WeakPolarHBondContact O-CB 3.21Å; Y211-M215 PolarHBondContact O-N 2.99Å; L212-M215 HydrophobicContact CG-CE 4.23Å; L212-M215 WeakPolarHBondContact O-CB 3.41Å; L212-M215 PolarHBondContact O-N 3Å; G213-M215 VanDerWaalsContact C-N 3.31Å; G213-M215 PolarHBondContact O-N 3.11Å; M215-F219 PolarHBondContact O-N 3.31Å; M215-A690 HydrophobicContact CG-CB 4.18Å; M215-A690 WeakPolarHBondContact CG-O 3.45Å; M215-A690 WeakPolarHBondContact O-CB 3.4Å; M215-K693 HydrophobicContact CB-CB 3.94Å; M215-L694 HydrophobicContact SD-CB 3.82Å; M215-L694 HydrophobicContact SD-CD1 4.05Å; M215-L694 HydrophobicContact SD-CG 4.42Å
216	V	94.3	Very high	88.8	Confident	72 Å²	72	25.6 Å²	25.6	44%	0.436	13%	0.133	S	C	.	.	H	α-helix	trans	-70.1	-38.3	178.8	-178.6	0	0	0	0	110.7	L212 G213 F220 F266	L212-V216 PolarHBondContact O-N 3.35Å; G213-V216 PolarHBondContact O-N 3.34Å; V216-F220 WeakPolarHBondContact O-CB 3.25Å; V216-F220 PolarHBondContact O-N 2.86Å; V216-F266 HydrophobicContact CB-CD2 4.31Å; V216-F266 HydrophobicContact CG1-CD2 4.04Å; V216-F266 HydrophobicContact CG1-CE2 4.05Å
217	G	94.4	Very high	89.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-47.6	176.4	0	0	0	0	0	113.5	G213 M214 F219 F220 W221 F266	G213-G217 PolarHBondContact O-N 3.47Å; M214-G217 PolarHBondContact O-N 3.35Å; G217-F219 VanDerWaalsContact C-N 3.32Å; G217-F219 PolarHBondContact O-N 2.87Å; G217-F220 PolarHBondContact O-N 3.47Å; G217-W221 WeakPolarHBondContact O-CB 3.25Å; G217-W221 PolarHBondContact O-N 3.18Å; G217-F266 VanDerWaalsContact CA-O 3.23Å; G217-F266 WeakPolarHBondContact CA-O 3.47Å
218	A	93.7	Very high	90.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-43.6	179.4	0	0	0	0	0	112.3	M214 G222 G269 G686 N689 A690	M214-A218 VanDerWaalsContact O-CB 3.25Å; M214-A218 WeakPolarHBondContact O-CB 3.49Å; M214-A218 PolarHBondContact O-N 3.4Å; A218-G222 PolarHBondContact O-N 3.36Å; A218-G269 VanDerWaalsContact CA-O 3.25Å; A218-G269 WeakPolarHBondContact CA-O 3.34Å; A218-G269 WeakPolarHBondContact CB-O 3.34Å; A218-G686 CarbonylContact C-O 3.57Å; A218-G686 WeakPolarHBondContact O-CA 3.33Å; A218-N689 HydrophobicContact CB-CB 4.07Å; A218-N689 WeakPolarHBondContact CB-ND2 3.35Å; A218-A690 HydrophobicContact CB-CB 4.38Å
219	F	92.6	Very high	90.5	Very high	74 Å²	74	29.8 Å²	29.8	33%	0.325	15%	0.149	S	C	.	.	H	α-helix	trans	-66.7	-48.2	176.5	-177.5	-99.3	0	0	0	112.2	M215 G217 G223 L434 F687 A690	M215-F219 PolarHBondContact O-N 3.31Å; G217-F219 VanDerWaalsContact C-N 3.32Å; G217-F219 PolarHBondContact O-N 2.87Å; F219-G223 PolarHBondContact O-N 3.39Å; F219-L434 HydrophobicContact CE2-CD1 4.1Å; F219-L434 HydrophobicContact CE2-CD2 3.74Å; F219-L434 HydrophobicContact CE2-CG 4.44Å; F219-L434 HydrophobicContact CZ-CD2 3.95Å; F219-F687 HydrophobicContact CD2-CD2 4.37Å; F219-F687 HydrophobicContact CE2-CD2 4.36Å; F219-A690 HydrophobicContact CB-CB 4.14Å
220	F	93.4	Very high	90.9	Very high	62 Å²	62	27.6 Å²	27.6	27%	0.272	14%	0.137	S	C	.	.	H	α-helix	trans	-68.3	-54.7	-176.4	178.1	-96.4	0	0	0	112.7	V216 G217 G223 M224 F266	V216-F220 WeakPolarHBondContact O-CB 3.25Å; V216-F220 PolarHBondContact O-N 2.86Å; G217-F220 PolarHBondContact O-N 3.47Å; F220-G223 PolarHBondContact O-N 3.48Å; F220-M224 HydrophobicContact CE1-CE 4.08Å; F220-M224 HydrophobicContact CE2-CE 3.77Å; F220-M224 HydrophobicContact CZ-CE 3.46Å; F220-M224 VanDerWaalsContact CZ-CE 3.46Å; F220-M224 WeakPolarHBondContact O-CB 3.39Å; F220-M224 PolarHBondContact O-N 3.15Å; F220-F266 HydrophobicContact CB-CE2 3.94Å; F220-F266 HydrophobicContact CB-CZ 4.24Å; F220-F266 HydrophobicContact CD1-CE1 4.44Å; F220-F266 HydrophobicContact CD1-CE2 4.08Å; F220-F266 AromaticContact CD1-CZ 3.49Å; F220-F266 HydrophobicContact CD1-CZ 3.49Å; F220-F266 VanDerWaalsContact CD1-CZ 3.49Å; F220-F266 AromaticContact CE1-CZ 3.99Å; F220-F266 HydrophobicContact CE1-CZ 3.99Å; F220-F266 HydrophobicContact CG-CE2 4.12Å; F220-F266 AromaticContact CG-CZ 3.92Å; F220-F266 HydrophobicContact CG-CZ 3.92Å
221	W	94.3	Very high	91.2	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.087	15%	0.145	C	C	.	.	H	α-helix	trans	-72.3	-33	-175.5	-64.2	119.1	0	0	0	112.6	G217 M224 S225 C233 I236 C237 F266 I274	G217-W221 WeakPolarHBondContact O-CB 3.25Å; G217-W221 PolarHBondContact O-N 3.18Å; W221-M224 PolarHBondContact O-N 3.44Å; W221-S225 PolarHBondContact O-N 2.86Å; W221-S225 PolarHBondContact O-OG 2.65Å; W221-C233 PolarHBondContact O-SG 3.37Å; W221-I236 HydrophobicContact CH2-CB 4.41Å; W221-I236 HydrophobicContact CH2-CG2 3.54Å; W221-I236 HydrophobicContact CZ3-CB 4.36Å; W221-I236 HydrophobicContact CZ3-CG2 3.88Å; W221-C237 HydrophobicContact CD2-CB 3.76Å; W221-C237 HydrophobicContact CE3-CB 4.26Å; W221-C237 HydrophobicContact CG-CB 3.95Å; W221-C237 HydrophobicContact CZ2-CB 4.28Å; W221-F266 AromaticContact CE2-CE1 3.76Å; W221-F266 HydrophobicContact CZ2-CD1 4.37Å; W221-F266 AromaticContact CZ2-CE1 3.63Å; W221-F266 HydrophobicContact CZ2-CE1 3.63Å; W221-F266 HydrophobicContact CZ2-CZ 4.23Å; W221-F266 AromaticContact NE1-CD1 3.83Å; W221-F266 AromaticContact NE1-CE1 3.57Å; W221-F266 AromaticContact NE1-CZ 3.82Å; W221-F266 PolarHBondContact NE1-O 3.3Å; W221-I274 HydrophobicContact CB-CD1 4.06Å
222	G	91.2	Very high	91.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-45	171.4	0	0	0	0	0	112	A218 M224 S225 G682 T683	A218-G222 PolarHBondContact O-N 3.36Å; G222-M224 VanDerWaalsContact C-N 3.29Å; G222-M224 PolarHBondContact O-N 2.9Å; G222-S225 PolarHBondContact O-OG 3.44Å; G222-G682 CarbonylContact C-O 3.53Å; G222-G682 VanDerWaalsContact C-O 3.32Å; G222-G682 VanDerWaalsContact CA-O 3.27Å; G222-G682 WeakPolarHBondContact CA-O 3.38Å; G222-G682 CarbonylContact O-C 3.56Å; G222-G682 VanDerWaalsContact O-CA 3.29Å; G222-G682 WeakPolarHBondContact O-CA 3.35Å; G222-T683 PolarHBondContact O-N 3.26Å
223	G	89.9	Confident	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-34.5	171.6	0	0	0	0	0	113.6	F219 F220	F219-G223 PolarHBondContact O-N 3.39Å; F220-G223 PolarHBondContact O-N 3.48Å
224	M	90.1	Very high	91.6	Very high	27 Å²	27	27.8 Å²	27.8	13%	0.133	13%	0.134	C	C	.	.	H	α-helix	trans	-74.8	-32.3	-178.3	-163.1	64.9	69.2	0	0	113.4	F220 W221 G222 D226 K227 V228 I430	F220-M224 HydrophobicContact CE1-CE 4.08Å; F220-M224 HydrophobicContact CE2-CE 3.77Å; F220-M224 HydrophobicContact CZ-CE 3.46Å; F220-M224 VanDerWaalsContact CZ-CE 3.46Å; F220-M224 WeakPolarHBondContact O-CB 3.39Å; F220-M224 PolarHBondContact O-N 3.15Å; W221-M224 PolarHBondContact O-N 3.44Å; G222-M224 VanDerWaalsContact C-N 3.29Å; G222-M224 PolarHBondContact O-N 2.9Å; M224-D226 VanDerWaalsContact C-N 3.31Å; M224-D226 PolarHBondContact O-N 3.38Å; M224-K227 PolarHBondContact O-N 2.98Å; M224-K227 VanDerWaalsContact O-N 3.14Å; M224-V228 HydrophobicContact CG-CB 4.28Å; M224-V228 HydrophobicContact CG-CG2 3.8Å; M224-V228 PolarHBondContact O-N 3.39Å; M224-V228 HydrophobicContact SD-CG2 3.53Å; M224-V228 VanDerWaalsContact SD-CG2 3.53Å; M224-I430 HydrophobicContact CE-CD1 4.04Å
225	S	90.9	Very high	91.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.5	-27.9	-179	55	0	0	0	0	114.2	W221 G222 K227 G229 R230	W221-S225 PolarHBondContact O-N 2.86Å; W221-S225 PolarHBondContact O-OG 2.65Å; G222-S225 PolarHBondContact O-OG 3.44Å; S225-K227 PolarHBondContact O-N 2.82Å; S225-G229 CarbonylContact O-C 3.58Å; S225-G229 PolarHBondContact O-N 2.87Å; S225-R230 PolarHBondContact O-NH1 3.3Å
226	D	88.4	Confident	91.7	Very high	14 Å²	14	31.4 Å²	31.4	8%	0.075	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-27.9	174.6	-65.8	-12.5	0	0	0	111	M224 R230 R680 G682 T683	M224-D226 VanDerWaalsContact C-N 3.31Å; M224-D226 PolarHBondContact O-N 3.38Å; D226-R230 PolarHBondContact O-NH1 3.39Å; D226-R680 VanDerWaalsContact OD2-C 3.3Å; D226-R680 WeakPolarHBondContact OD2-CA 3.32Å; D226-G682 WeakPolarHBondContact OD1-CA 3.07Å; D226-G682 PolarHBondContact OD1-N 3.18Å; D226-T683 VanDerWaalsContact OD2-CB 3.28Å; D226-T683 WeakPolarHBondContact OD2-CB 3.34Å; D226-T683 PolarHBondContact OD2-N 2.66Å; D226-T683 PolarHBondContact OD2-OG1 2.9Å
227	K	83.7	Confident	91.7	Very high	65 Å²	65	28 Å²	28	28%	0.283	13%	0.133	S	C	.	.	H	α-helix	trans	-105.3	-40.8	-172.6	-72.1	-175.9	138.8	-151.8	0	116.1	M224 S225 Y359 E426 I430	M224-K227 PolarHBondContact O-N 2.98Å; M224-K227 VanDerWaalsContact O-N 3.14Å; S225-K227 PolarHBondContact O-N 2.82Å; K227-Y359 PolarHBondContact O-OH 3.27Å; K227-E426 WeakPolarHBondContact CD-OE2 3.35Å; K227-E426 PolarHBondContact NZ-O 2.86Å; K227-E426 IonicContact NZ-OE2 3.62Å; K227-E426 PolarHBondContact NZ-OE2 3.39Å; K227-I430 HydrophobicContact CD-CG1 4.35Å
228	V	85.9	Confident	91.7	Very high	61 Å²	61	28 Å²	28	37%	0.37	13%	0.133	S	C	.	.	H	α-helix	trans	-95.4	-12.1	-173.1	176.4	0	0	0	0	112	M224 H232 Y359	M224-V228 HydrophobicContact CG-CB 4.28Å; M224-V228 HydrophobicContact CG-CG2 3.8Å; M224-V228 PolarHBondContact O-N 3.39Å; M224-V228 HydrophobicContact SD-CG2 3.53Å; M224-V228 VanDerWaalsContact SD-CG2 3.53Å; V228-H232 HydrophobicContact CG1-CB 4.19Å; V228-Y359 PolarHBondContact O-OH 3.43Å
229	G	87.6	Confident	91.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.			trans	103.3	150.9	-172.2	0	0	0	0	0	111.5	S225 C233 E355 Y359	S225-G229 CarbonylContact O-C 3.58Å; S225-G229 PolarHBondContact O-N 2.87Å; G229-C233 WeakPolarHBondContact O-CB 3.49Å; G229-C233 PolarHBondContact O-N 2.91Å; G229-C233 VanDerWaalsContact O-N 3.16Å; G229-E355 WeakPolarHBondContact CA-OE2 3.41Å; G229-Y359 VanDerWaalsContact CA-CE1 3.44Å; G229-Y359 VanDerWaalsContact CA-CZ 3.45Å; G229-Y359 VanDerWaalsContact N-CZ 3.29Å; G229-Y359 PolarHBondContact N-OH 3.47Å
230	R	92.1	Very high	91.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-75.6	-49.8	-170.7	-70.3	63.1	160.1	155.7	-14.6	110.1	S225 D226 L234 I274 F278 E281 E355 Y359 E362	S225-R230 PolarHBondContact O-NH1 3.3Å; D226-R230 PolarHBondContact O-NH1 3.39Å; R230-L234 WeakPolarHBondContact O-CB 3.41Å; R230-L234 PolarHBondContact O-N 3.02Å; R230-I274 HydrophobicContact CB-CG2 4.25Å; R230-I274 WeakPolarHBondContact O-CG2 3.15Å; R230-F278 HydrophobicContact CB-CB 3.91Å; R230-F278 HydrophobicContact CB-CD1 4.5Å; R230-F278 HydrophobicContact CB-CD2 4.18Å; R230-F278 HydrophobicContact CB-CG 3.96Å; R230-F278 HydrophobicContact CG-CB 4.28Å; R230-E281 IonicContact CZ-OE1 2.77Å; R230-E281 VanDerWaalsContact CZ-OE1 3.3Å; R230-E281 IonicContact CZ-OE2 2.67Å; R230-E281 IonicContact NE-OE1 3.73Å; R230-E281 PolarHBondContact NE-OE1 3.42Å; R230-E281 IonicContact NE-OE2 2.69Å; R230-E281 PolarHBondContact NE-OE2 2.87Å; R230-E281 IonicContact NH2-OE1 3.69Å; R230-E281 PolarHBondContact NH2-OE1 2.65Å; R230-E281 IonicContact NH2-OE2 3.42Å; R230-E355 WeakPolarHBondContact CA-OE1 3.47Å; R230-E355 PolarHBondContact N-OE1 3.18Å; R230-E355 PolarHBondContact N-OE2 2.85Å; R230-Y359 VanDerWaalsContact NH1-CD2 3.28Å; R230-E362 IonicContact CZ-OE2 2.64Å; R230-E362 IonicContact NH1-OE2 2.9Å; R230-E362 IonicContact NH2-OE2 3.7Å; R230-E362 PolarHBondContact NH2-OE2 2.83Å
231	R	92.9	Very high	91.9	Very high	53 Å²	53	25.4 Å²	25.4	20%	0.2	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-46.1	176.3	168.3	179.4	168.2	-116.9	21.4	111.7	L234 L235 F278 L350 T351 M353 P354 E355	R231-L234 PolarHBondContact O-N 2.94Å; R231-L235 WeakPolarHBondContact O-CB 3.36Å; R231-L235 PolarHBondContact O-N 3.04Å; R231-F278 HydrophobicContact CB-CE1 4.28Å; R231-F278 HydrophobicContact CB-CZ 4.42Å; R231-L350 PolarHBondContact NE-O 3.43Å; R231-T351 PolarHBondContact NH2-O 2.9Å; R231-M353 WeakPolarHBondContact CD-O 3.43Å; R231-M353 PolarHBondContact NE-O 2.97Å; R231-M353 PolarHBondContact NH2-O 3.26Å; R231-P354 VanDerWaalsContact CD-O 3.29Å; R231-P354 WeakPolarHBondContact CD-O 3.38Å; R231-E355 WeakPolarHBondContact CB-OE2 3.42Å; R231-E355 PolarHBondContact N-OE1 2.65Å; R231-E355 PolarHBondContact N-OE2 3.05Å; R231-E355 VanDerWaalsContact N-OE2 3.16Å
232	H	91.8	Very high	91.8	Very high	80 Å²	80	25 Å²	25	37%	0.37	13%	0.132	S	C	.	.	H	α-helix	trans	-62.4	-45	-179	-69.5	89.4	0	0	0	111.9	V228 L235 I236 E355	V228-H232 HydrophobicContact CG1-CB 4.19Å; H232-L235 PolarHBondContact O-N 3.33Å; H232-I236 WeakPolarHBondContact O-CD1 3.47Å; H232-I236 VanDerWaalsContact O-CG1 3.3Å; H232-I236 WeakPolarHBondContact O-CG1 3.12Å; H232-I236 PolarHBondContact O-N 3.12Å; H232-E355 IonicContact CE1-OE2 3.57Å; H232-E355 IonicContact CG-OE2 3.65Å; H232-E355 PolarHBondContact N-OE2 3.03Å; H232-E355 VanDerWaalsContact N-OE2 3.14Å; H232-E355 IonicContact ND1-OE2 2.68Å; H232-E355 PolarHBondContact ND1-OE2 2.8Å
233	C	93.5	Very high	91.9	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-46.6	176.7	-165.1	0	0	0	0	111.9	W221 G229 L235 I236 C237 I274	W221-C233 PolarHBondContact O-SG 3.37Å; G229-C233 WeakPolarHBondContact O-CB 3.49Å; G229-C233 PolarHBondContact O-N 2.91Å; G229-C233 VanDerWaalsContact O-N 3.16Å; C233-L235 PolarHBondContact O-N 2.96Å; C233-I236 PolarHBondContact O-N 2.75Å; C233-C237 WeakPolarHBondContact O-CB 3.43Å; C233-C237 PolarHBondContact O-N 3.12Å; C233-I274 HydrophobicContact CB-CD1 3.96Å; C233-I274 WeakPolarHBondContact SG-CD1 3.42Å
234	L	94.6	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-40	178.8	-173.5	59.6	0	0	0	112.9	L171 R230 R231 C237 M238 A271 I274 V275 L350	L171-L234 HydrophobicContact CD2-CD2 3.77Å; R230-L234 WeakPolarHBondContact O-CB 3.41Å; R230-L234 PolarHBondContact O-N 3.02Å; R231-L234 PolarHBondContact O-N 2.94Å; L234-C237 PolarHBondContact O-SG 3.49Å; L234-M238 HydrophobicContact CD1-CE 4.38Å; L234-M238 HydrophobicContact CD1-CG 4.18Å; L234-M238 VanDerWaalsContact O-CB 3.31Å; L234-M238 WeakPolarHBondContact O-CB 3.37Å; L234-M238 WeakPolarHBondContact O-CG 3.31Å; L234-M238 PolarHBondContact O-N 3.44Å; L234-A271 HydrophobicContact CD1-CB 4.35Å; L234-I274 HydrophobicContact CB-CG2 3.87Å; L234-I274 HydrophobicContact CD1-CB 4.48Å; L234-V275 HydrophobicContact CD1-CG2 3.92Å; L234-V275 HydrophobicContact CD2-CG2 3.74Å; L234-L350 HydrophobicContact CD2-CD1 3.81Å; L234-L350 HydrophobicContact CD2-CD2 3.78Å; L234-L350 HydrophobicContact CD2-CG 4.47Å; L234-L350 HydrophobicContact CG-CD1 3.78Å
235	L	95.4	Very high	92.2	Very high	49 Å²	49	32.4 Å²	32.4	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-64.4	-44	178.3	-171.9	157.3	0	0	0	111.1	R231 H232 C233 S239 T351	R231-L235 WeakPolarHBondContact O-CB 3.36Å; R231-L235 PolarHBondContact O-N 3.04Å; H232-L235 PolarHBondContact O-N 3.33Å; C233-L235 PolarHBondContact O-N 2.96Å; L235-S239 VanDerWaalsContact O-CB 3.25Å; L235-S239 WeakPolarHBondContact O-CB 3.46Å; L235-S239 PolarHBondContact O-N 3Å; L235-S239 PolarHBondContact O-OG 3.08Å; L235-T351 HydrophobicContact CD1-CG2 4.28Å
236	I	94.6	Very high	92.2	Very high	79 Å²	79	37 Å²	37	41%	0.405	19%	0.185	S	C	.	.	H	α-helix	trans	-67.5	-45.1	178.8	-62.4	164.2	0	0	0	110.7	W221 H232 C233 S239 T240	W221-I236 HydrophobicContact CH2-CB 4.41Å; W221-I236 HydrophobicContact CH2-CG2 3.54Å; W221-I236 HydrophobicContact CZ3-CB 4.36Å; W221-I236 HydrophobicContact CZ3-CG2 3.88Å; H232-I236 WeakPolarHBondContact O-CD1 3.47Å; H232-I236 VanDerWaalsContact O-CG1 3.3Å; H232-I236 WeakPolarHBondContact O-CG1 3.12Å; H232-I236 PolarHBondContact O-N 3.12Å; C233-I236 PolarHBondContact O-N 2.75Å; I236-S239 PolarHBondContact O-N 3.09Å; I236-T240 WeakPolarHBondContact O-CB 3.27Å; I236-T240 PolarHBondContact O-N 3.44Å; I236-T240 PolarHBondContact O-OG1 3.33Å
237	C	94.6	Very high	92.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-39.4	-177.5	93.6	0	0	0	0	111.6	W221 C233 L234 T240 N241 G267	W221-C237 HydrophobicContact CD2-CB 3.76Å; W221-C237 HydrophobicContact CE3-CB 4.26Å; W221-C237 HydrophobicContact CG-CB 3.95Å; W221-C237 HydrophobicContact CZ2-CB 4.28Å; C233-C237 WeakPolarHBondContact O-CB 3.43Å; C233-C237 PolarHBondContact O-N 3.12Å; L234-C237 PolarHBondContact O-SG 3.49Å; C237-T240 WeakPolarHBondContact O-CB 3.21Å; C237-T240 PolarHBondContact O-N 2.91Å; C237-N241 PolarHBondContact O-N 3.01Å; C237-G267 WeakPolarHBondContact CB-O 3.36Å; C237-G267 CarbonylContact O-C 3.58Å; C237-G267 WeakPolarHBondContact O-CA 3.47Å; C237-G267 PolarHBondContact SG-O 3.24Å; C237-G267 VanDerWaalsContact SG-O 3.35Å
238	M	93.9	Very high	92.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69	-41.8	173.1	-75.4	-63.7	-173.1	0	0	113.2	A174 L234 T240 N241 G242 I268 A271 C343 V347	A174-M238 HydrophobicContact CB-CE 3.77Å; A174-M238 WeakPolarHBondContact O-CE 3.19Å; L234-M238 HydrophobicContact CD1-CE 4.38Å; L234-M238 HydrophobicContact CD1-CG 4.18Å; L234-M238 VanDerWaalsContact O-CB 3.31Å; L234-M238 WeakPolarHBondContact O-CB 3.37Å; L234-M238 WeakPolarHBondContact O-CG 3.31Å; L234-M238 PolarHBondContact O-N 3.44Å; M238-T240 VanDerWaalsContact C-N 3.25Å; M238-T240 PolarHBondContact O-N 3.1Å; M238-N241 PolarHBondContact O-N 2.99Å; M238-N241 VanDerWaalsContact O-N 3.17Å; M238-G242 PolarHBondContact O-N 3.46Å; M238-I268 HydrophobicContact CE-CD1 3.64Å; M238-I268 HydrophobicContact SD-CD1 3.54Å; M238-I268 VanDerWaalsContact SD-CD1 3.54Å; M238-A271 HydrophobicContact CE-CB 3.46Å; M238-A271 VanDerWaalsContact CE-CB 3.46Å; M238-C343 PolarHBondContact O-SG 2.99Å; M238-C343 VanDerWaalsContact O-SG 3.38Å; M238-V347 HydrophobicContact CB-CG2 3.6Å
239	S	95.1	Very high	92.9	Very high	48 Å²	48	33.2 Å²	33.2	34%	0.336	17%	0.165	S	C	.	.	H	α-helix	trans	-62.1	-37.1	176	-59.1	0	0	0	0	111.6	L235 I236 F243	L235-S239 VanDerWaalsContact O-CB 3.25Å; L235-S239 WeakPolarHBondContact O-CB 3.46Å; L235-S239 PolarHBondContact O-N 3Å; L235-S239 PolarHBondContact O-OG 3.08Å; I236-S239 PolarHBondContact O-N 3.09Å; S239-F243 WeakPolarHBondContact O-CB 3.24Å; S239-F243 PolarHBondContact O-N 3.39Å; S239-F243 VanDerWaalsContact O-N 3.12Å
240	T	94.7	Very high	92.8	Very high	31 Å²	31	38.3 Å²	38.3	19%	0.19	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-48.4	172.8	-55.1	0	0	0	0	110.7	I236 C237 M238 F244 V263	I236-T240 WeakPolarHBondContact O-CB 3.27Å; I236-T240 PolarHBondContact O-N 3.44Å; I236-T240 PolarHBondContact O-OG1 3.33Å; C237-T240 WeakPolarHBondContact O-CB 3.21Å; C237-T240 PolarHBondContact O-N 2.91Å; M238-T240 VanDerWaalsContact C-N 3.25Å; M238-T240 PolarHBondContact O-N 3.1Å; T240-F244 HydrophobicContact CG2-CD2 4.04Å; T240-F244 HydrophobicContact CG2-CE2 4.33Å; T240-F244 WeakPolarHBondContact O-CD2 3.34Å; T240-F244 PolarHBondContact O-N 3.14Å; T240-F244 VanDerWaalsContact O-N 3.16Å; T240-V263 HydrophobicContact CG2-CG1 4.12Å
241	N	94.2	Very high	92.6	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-56.9	177.1	-176.9	52.4	0	0	0	112	C237 M238 F243 F244 A245 A264 I268	C237-N241 PolarHBondContact O-N 3.01Å; M238-N241 PolarHBondContact O-N 2.99Å; M238-N241 VanDerWaalsContact O-N 3.17Å; N241-F243 VanDerWaalsContact C-N 3.31Å; N241-F243 PolarHBondContact O-N 3.47Å; N241-F244 PolarHBondContact O-N 2.97Å; N241-A245 WeakPolarHBondContact O-CB 3.42Å; N241-A245 PolarHBondContact O-N 3.31Å; N241-A264 WeakPolarHBondContact OD1-CB 3.16Å; N241-A264 PolarHBondContact OD1-O 3.47Å; N241-I268 HydrophobicContact CB-CB 4.14Å; N241-I268 HydrophobicContact CB-CD1 4.43Å
242	G	92.8	Very high	92	Very high	13 Å²	13	40.6 Å²	40.6	13%	0.134	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-40.6	-176.5	0	0	0	0	0	113.4	M238 F246	M238-G242 PolarHBondContact O-N 3.46Å; G242-F246 WeakPolarHBondContact O-CB 3.46Å; G242-F246 PolarHBondContact O-N 3.46Å; G242-F246 VanDerWaalsContact O-N 3.07Å
243	F	94.3	Very high	91.5	Very high	126 Å²	126	38.8 Å²	38.8	55%	0.553	20%	0.204	S	C	*	.	H	α-helix	trans	-64.8	-50.1	176.7	178.9	-99.6	0	0	0	112.5	S239 N241 L247	S239-F243 WeakPolarHBondContact O-CB 3.24Å; S239-F243 PolarHBondContact O-N 3.39Å; S239-F243 VanDerWaalsContact O-N 3.12Å; N241-F243 VanDerWaalsContact C-N 3.31Å; N241-F243 PolarHBondContact O-N 3.47Å; F243-L247 HydrophobicContact CE1-CD2 4.2Å; F243-L247 VanDerWaalsContact O-CB 3.26Å; F243-L247 WeakPolarHBondContact O-CB 3.23Å; F243-L247 PolarHBondContact O-N 3Å
244	F	94.4	Very high	90.9	Very high	55 Å²	55	41.4 Å²	41.4	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-75.6	-31.7	-176.9	-79.6	-76.8	0	0	0	113.4	T240 N241 L247 S248 C260 V263 A264	T240-F244 HydrophobicContact CG2-CD2 4.04Å; T240-F244 HydrophobicContact CG2-CE2 4.33Å; T240-F244 WeakPolarHBondContact O-CD2 3.34Å; T240-F244 PolarHBondContact O-N 3.14Å; T240-F244 VanDerWaalsContact O-N 3.16Å; N241-F244 PolarHBondContact O-N 2.97Å; F244-L247 HydrophobicContact CD1-CD2 4.21Å; F244-L247 HydrophobicContact CE1-CD2 4.32Å; F244-S248 WeakPolarHBondContact O-CB 3.36Å; F244-S248 PolarHBondContact O-N 3.18Å; F244-C260 HydrophobicContact CD1-CB 4.44Å; F244-V263 HydrophobicContact CD1-CB 4.15Å; F244-V263 HydrophobicContact CD1-CG1 4.19Å; F244-V263 HydrophobicContact CD2-CB 4.14Å; F244-V263 HydrophobicContact CD2-CG1 3.4Å; F244-V263 VanDerWaalsContact CD2-CG1 3.4Å; F244-V263 HydrophobicContact CE1-CB 4.43Å; F244-V263 HydrophobicContact CE1-CG1 4.24Å; F244-V263 HydrophobicContact CE2-CB 4.43Å; F244-V263 HydrophobicContact CE2-CG1 3.46Å; F244-V263 VanDerWaalsContact CE2-CG1 3.46Å; F244-V263 HydrophobicContact CG-CB 4Å; F244-V263 HydrophobicContact CG-CG1 3.8Å; F244-V263 HydrophobicContact CZ-CG1 3.89Å; F244-A264 HydrophobicContact CB-CB 4.08Å
245	A	91.4	Very high	90.4	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-49.8	171.4	0	0	0	0	0	111	N241 S248 A264	N241-A245 WeakPolarHBondContact O-CB 3.42Å; N241-A245 PolarHBondContact O-N 3.31Å; A245-S248 WeakPolarHBondContact O-CB 3.45Å; A245-S248 PolarHBondContact O-N 3.07Å; A245-S248 PolarHBondContact O-OG 3.38Å; A245-A264 HydrophobicContact CB-CB 4.46Å
246	F	91.4	Very high	90	Very high	97 Å²	97	46.2 Å²	46.2	43%	0.425	25%	0.252	S	S	.	.	H	α-helix	trans	-58	-50	174.5	177.8	-101.4	0	0	0	111.6	G242 S248 S249 F250 V337	G242-F246 WeakPolarHBondContact O-CB 3.46Å; G242-F246 PolarHBondContact O-N 3.46Å; G242-F246 VanDerWaalsContact O-N 3.07Å; F246-S248 VanDerWaalsContact C-N 3.26Å; F246-S248 PolarHBondContact O-N 3.35Å; F246-S249 WeakPolarHBondContact O-CB 3.32Å; F246-S249 PolarHBondContact O-N 3.09Å; F246-S249 VanDerWaalsContact O-N 3.14Å; F246-S249 PolarHBondContact O-OG 3.46Å; F246-F250 HydrophobicContact CD1-CE2 4.06Å; F246-F250 HydrophobicContact CD2-CE2 4.23Å; F246-F250 HydrophobicContact CE1-CD2 4.37Å; F246-F250 AromaticContact CE1-CE2 3.59Å; F246-F250 HydrophobicContact CE1-CE2 3.59Å; F246-F250 HydrophobicContact CE1-CZ 4.31Å; F246-F250 AromaticContact CE2-CE2 3.78Å; F246-F250 HydrophobicContact CE2-CE2 3.78Å; F246-F250 HydrophobicContact CE2-CZ 4.18Å; F246-F250 HydrophobicContact CG-CE2 4.37Å; F246-F250 AromaticContact CZ-CE2 3.44Å; F246-F250 HydrophobicContact CZ-CE2 3.44Å; F246-F250 VanDerWaalsContact CZ-CE2 3.44Å; F246-F250 AromaticContact CZ-CZ 3.8Å; F246-F250 HydrophobicContact CZ-CZ 3.8Å; F246-F250 WeakPolarHBondContact O-CD2 3.4Å; F246-V337 HydrophobicContact CD2-CG1 4.24Å; F246-V337 HydrophobicContact CD2-CG2 4.34Å; F246-V337 HydrophobicContact CE2-CG1 4.11Å; F246-V337 HydrophobicContact CE2-CG2 4.42Å
247	L	91.9	Very high	89.7	Confident	61 Å²	61	42.6 Å²	42.6	32%	0.319	23%	0.234	S	C	.	.	H	α-helix	trans	-56.5	-39.2	177.8	-178.4	60.5	0	0	0	112.1	F243 F244 S249 F250 V251	F243-L247 HydrophobicContact CE1-CD2 4.2Å; F243-L247 VanDerWaalsContact O-CB 3.26Å; F243-L247 WeakPolarHBondContact O-CB 3.23Å; F243-L247 PolarHBondContact O-N 3Å; F244-L247 HydrophobicContact CD1-CD2 4.21Å; F244-L247 HydrophobicContact CE1-CD2 4.32Å; L247-S249 PolarHBondContact O-N 3.02Å; L247-S249 VanDerWaalsContact O-N 3.14Å; L247-F250 PolarHBondContact O-N 3.06Å; L247-F250 VanDerWaalsContact O-N 3.12Å; L247-V251 PolarHBondContact O-N 3.14Å
248	S	90.1	Very high	89.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-28.5	-179.8	82	0	0	0	0	113.6	F244 A245 F246 F250 V251 F257 R261	F244-S248 WeakPolarHBondContact O-CB 3.36Å; F244-S248 PolarHBondContact O-N 3.18Å; A245-S248 WeakPolarHBondContact O-CB 3.45Å; A245-S248 PolarHBondContact O-N 3.07Å; A245-S248 PolarHBondContact O-OG 3.38Å; F246-S248 VanDerWaalsContact C-N 3.26Å; F246-S248 PolarHBondContact O-N 3.35Å; S248-F250 VanDerWaalsContact C-N 3.33Å; S248-F250 PolarHBondContact O-N 3.4Å; S248-V251 PolarHBondContact O-N 2.94Å; S248-F257 VanDerWaalsContact O-CD2 3.31Å; S248-F257 WeakPolarHBondContact O-CD2 3.49Å; S248-R261 PolarHBondContact OG-NE 3.48Å
249	S	88.7	Confident	89.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-32.8	178.8	69.6	0	0	0	0	113.4	F246 L247 R333 V337	F246-S249 WeakPolarHBondContact O-CB 3.32Å; F246-S249 PolarHBondContact O-N 3.09Å; F246-S249 VanDerWaalsContact O-N 3.14Å; F246-S249 PolarHBondContact O-OG 3.46Å; L247-S249 PolarHBondContact O-N 3.02Å; L247-S249 VanDerWaalsContact O-N 3.14Å; S249-R333 WeakPolarHBondContact O-CD 3.38Å; S249-R333 PolarHBondContact O-NH1 2.83Å; S249-V337 VanDerWaalsContact OG-CG2 3.27Å; S249-V337 WeakPolarHBondContact OG-CG2 3.36Å
250	F	87.2	Confident	89.1	Confident	106 Å²	106	46.6 Å²	46.6	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-85.8	-15.1	-179.8	-61.2	-84.3	0	0	0	113.3	F246 L247 S248 Q252 F329	F246-F250 HydrophobicContact CD1-CE2 4.06Å; F246-F250 HydrophobicContact CD2-CE2 4.23Å; F246-F250 HydrophobicContact CE1-CD2 4.37Å; F246-F250 AromaticContact CE1-CE2 3.59Å; F246-F250 HydrophobicContact CE1-CE2 3.59Å; F246-F250 HydrophobicContact CE1-CZ 4.31Å; F246-F250 AromaticContact CE2-CE2 3.78Å; F246-F250 HydrophobicContact CE2-CE2 3.78Å; F246-F250 HydrophobicContact CE2-CZ 4.18Å; F246-F250 HydrophobicContact CG-CE2 4.37Å; F246-F250 AromaticContact CZ-CE2 3.44Å; F246-F250 HydrophobicContact CZ-CE2 3.44Å; F246-F250 VanDerWaalsContact CZ-CE2 3.44Å; F246-F250 AromaticContact CZ-CZ 3.8Å; F246-F250 HydrophobicContact CZ-CZ 3.8Å; F246-F250 WeakPolarHBondContact O-CD2 3.4Å; L247-F250 PolarHBondContact O-N 3.06Å; L247-F250 VanDerWaalsContact O-N 3.12Å; S248-F250 VanDerWaalsContact C-N 3.33Å; S248-F250 PolarHBondContact O-N 3.4Å; F250-Q252 PolarHBondContact O-N 3.12Å; F250-F329 HydrophobicContact CD1-CE2 4.12Å; F250-F329 HydrophobicContact CE1-CE2 4.13Å
251	V	87.5	Confident	88.9	Confident	12 Å²	12	45.2 Å²	45.2	7%	0.073	24%	0.242	C	C	.	.			trans	-77.4	119.5	-176.8	173.3	0	0	0	0	111	L247 S248 G253 L256 F257 R333	L247-V251 PolarHBondContact O-N 3.14Å; S248-V251 PolarHBondContact O-N 2.94Å; V251-G253 WeakPolarHBondContact CG1-O 3.27Å; V251-L256 HydrophobicContact CG1-CB 3.65Å; V251-L256 HydrophobicContact CG1-CD2 3.88Å; V251-L256 HydrophobicContact CG1-CG 3.75Å; V251-L256 HydrophobicContact CG2-CD2 4Å; V251-L256 HydrophobicContact CG2-CG 4.09Å; V251-F257 HydrophobicContact CG1-CB 4Å; V251-R333 PolarHBondContact O-NH1 3.11Å
252	Q	79.8	Confident	88.8	Confident	89 Å²	89	46.9 Å²	46.9	42%	0.416	25%	0.252	S	S	.	.			trans	-85	-30.3	175.9	-68.1	176.3	-51.7	0	0	113.2	F250 A326	F250-Q252 PolarHBondContact O-N 3.12Å; Q252-A326 PolarHBondContact NE2-O 3.47Å
253	G	81.3	Confident	88.9	Confident	42 Å²	42	48.2 Å²	48.2	43%	0.433	26%	0.258	S	S	.	.	S	Bend	trans	-84.9	119	-176.2	0	0	0	0	0	113.5	V251 G255 L256 F257	V251-G253 WeakPolarHBondContact CG1-O 3.27Å; G253-G255 VanDerWaalsContact C-N 3.33Å; G253-G255 PolarHBondContact O-N 3.14Å; G253-L256 PolarHBondContact O-N 3.07Å; G253-F257 PolarHBondContact O-N 3.15Å
254	Y	81.5	Confident	88.9	Confident	56 Å²	56	42.2 Å²	42.2	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-48	-45.6	-176.5	179.6	-126.8	0	0	0	114.8	M196 I198 S202 L206 L256 F257 L258	M196-Y254 HydrophobicContact SD-CD2 3.99Å; M196-Y254 HydrophobicContact SD-CG 4.36Å; I198-Y254 HydrophobicContact CD1-CD1 4.26Å; I198-Y254 HydrophobicContact CD1-CD2 3.48Å; I198-Y254 VanDerWaalsContact CD1-CD2 3.48Å; I198-Y254 HydrophobicContact CD1-CE1 4.21Å; I198-Y254 HydrophobicContact CD1-CE2 3.45Å; I198-Y254 VanDerWaalsContact CD1-CE2 3.45Å; I198-Y254 HydrophobicContact CD1-CG 3.91Å; S202-Y254 PolarHBondContact O-OH 2.69Å; L206-Y254 HydrophobicContact CB-CE2 4.44Å; L206-Y254 HydrophobicContact CD2-CE2 4.2Å; Y254-L256 PolarHBondContact O-N 3.28Å; Y254-F257 WeakPolarHBondContact O-CB 3.27Å; Y254-F257 PolarHBondContact O-N 3.22Å; Y254-L258 HydrophobicContact CD1-CD1 3.97Å; Y254-L258 HydrophobicContact CD2-CD1 4.26Å; Y254-L258 HydrophobicContact CD2-CG 4.23Å; Y254-L258 HydrophobicContact CE1-CD1 3.61Å; Y254-L258 HydrophobicContact CE1-CG 4.48Å; Y254-L258 HydrophobicContact CE2-CD1 3.9Å; Y254-L258 HydrophobicContact CE2-CD2 4.18Å; Y254-L258 HydrophobicContact CE2-CG 3.86Å; Y254-L258 HydrophobicContact CG-CD1 4.29Å; Y254-L258 WeakPolarHBondContact O-CB 3.48Å; Y254-L258 WeakPolarHBondContact O-CG 3.38Å; Y254-L258 PolarHBondContact O-N 2.93Å
255	G	83.6	Confident	88.8	Confident	53 Å²	53	39.6 Å²	39.6	55%	0.546	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-34.8	179	0	0	0	0	0	114.3	G253 L259	G253-G255 VanDerWaalsContact C-N 3.33Å; G253-G255 PolarHBondContact O-N 3.14Å; G255-L259 PolarHBondContact O-N 3.27Å; G255-L259 VanDerWaalsContact O-N 3.13Å
256	L	88.1	Confident	89	Confident	97 Å²	97	42.1 Å²	42.1	51%	0.508	23%	0.231	S	C	.	.	H	α-helix	trans	-78.1	-32.4	175.2	-175.9	65.6	0	0	0	111	V251 G253 Y254 L259 C260	V251-L256 HydrophobicContact CG1-CB 3.65Å; V251-L256 HydrophobicContact CG1-CD2 3.88Å; V251-L256 HydrophobicContact CG1-CG 3.75Å; V251-L256 HydrophobicContact CG2-CD2 4Å; V251-L256 HydrophobicContact CG2-CG 4.09Å; G253-L256 PolarHBondContact O-N 3.07Å; Y254-L256 PolarHBondContact O-N 3.28Å; L256-L259 HydrophobicContact CD1-CD2 3.96Å; L256-L259 WeakPolarHBondContact O-CB 3.21Å; L256-L259 PolarHBondContact O-N 3.12Å; L256-C260 PolarHBondContact O-N 2.9Å; L256-C260 PolarHBondContact O-SG 2.94Å
257	F	87.9	Confident	89.1	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-47.8	173.8	176.2	-103.3	0	0	0	111.1	V188 M196 L206 S248 V251 G253 Y254 L259 C260 R261 W332	V188-F257 HydrophobicContact CG1-CZ 4.22Å; M196-F257 HydrophobicContact CE-CB 4.3Å; M196-F257 HydrophobicContact CE-CD1 4.46Å; M196-F257 HydrophobicContact CE-CG 4.19Å; L206-F257 HydrophobicContact CD1-CD1 4.16Å; L206-F257 HydrophobicContact CD1-CE1 3.79Å; L206-F257 HydrophobicContact CD2-CD1 4.41Å; L206-F257 HydrophobicContact CD2-CE1 3.81Å; L206-F257 HydrophobicContact CG-CE1 4.48Å; S248-F257 VanDerWaalsContact O-CD2 3.31Å; S248-F257 WeakPolarHBondContact O-CD2 3.49Å; V251-F257 HydrophobicContact CG1-CB 4Å; G253-F257 PolarHBondContact O-N 3.15Å; Y254-F257 WeakPolarHBondContact O-CB 3.27Å; Y254-F257 PolarHBondContact O-N 3.22Å; F257-L259 PolarHBondContact O-N 3.38Å; F257-C260 PolarHBondContact O-N 3.27Å; F257-R261 HydrophobicContact CE1-CG 4.45Å; F257-R261 HydrophobicContact CE2-CG 4.43Å; F257-R261 HydrophobicContact CZ-CG 4.26Å; F257-R261 WeakPolarHBondContact O-CG 3.48Å; F257-R261 PolarHBondContact O-N 3.19Å; F257-W332 AromaticContact CE2-CH2 3.99Å; F257-W332 HydrophobicContact CE2-CH2 3.99Å; F257-W332 AromaticContact CE2-CZ3 3.88Å; F257-W332 HydrophobicContact CE2-CZ3 3.88Å; F257-W332 HydrophobicContact CZ-CH2 4.21Å; F257-W332 HydrophobicContact CZ-CZ3 4.04Å
258	L	87.4	Confident	89.2	Confident	27 Å²	27	34.6 Å²	34.6	14%	0.141	20%	0.195	C	C	.	.	H	α-helix	trans	-53.3	-50.7	169.8	-77	166.2	0	0	0	111.3	L206 I209 Y254 C260 R261 V262	L206-L258 HydrophobicContact CB-CD2 3.99Å; L206-L258 HydrophobicContact CD1-CD2 3.61Å; L206-L258 HydrophobicContact CD1-CG 4.48Å; L206-L258 HydrophobicContact CG-CD2 4.36Å; I209-L258 HydrophobicContact CG2-CD2 3.82Å; Y254-L258 HydrophobicContact CD1-CD1 3.97Å; Y254-L258 HydrophobicContact CD2-CD1 4.26Å; Y254-L258 HydrophobicContact CD2-CG 4.23Å; Y254-L258 HydrophobicContact CE1-CD1 3.61Å; Y254-L258 HydrophobicContact CE1-CG 4.48Å; Y254-L258 HydrophobicContact CE2-CD1 3.9Å; Y254-L258 HydrophobicContact CE2-CD2 4.18Å; Y254-L258 HydrophobicContact CE2-CG 3.86Å; Y254-L258 HydrophobicContact CG-CD1 4.29Å; Y254-L258 WeakPolarHBondContact O-CB 3.48Å; Y254-L258 WeakPolarHBondContact O-CG 3.38Å; Y254-L258 PolarHBondContact O-N 2.93Å; L258-C260 PolarHBondContact O-N 3.49Å; L258-R261 PolarHBondContact O-N 3.42Å; L258-R261 VanDerWaalsContact O-N 3.14Å; L258-V262 WeakPolarHBondContact O-CG2 3.4Å; L258-V262 PolarHBondContact O-N 2.88Å
259	L	91.1	Very high	89.2	Confident	102 Å²	102	34.6 Å²	34.6	53%	0.534	20%	0.195	S	C	.	.	H	α-helix	trans	-56.1	-49.7	179.1	-171.2	84.3	0	0	0	111.6	G255 L256 F257 R261 V262 V263	G255-L259 PolarHBondContact O-N 3.27Å; G255-L259 VanDerWaalsContact O-N 3.13Å; L256-L259 HydrophobicContact CD1-CD2 3.96Å; L256-L259 WeakPolarHBondContact O-CB 3.21Å; L256-L259 PolarHBondContact O-N 3.12Å; F257-L259 PolarHBondContact O-N 3.38Å; L259-R261 VanDerWaalsContact C-N 3.29Å; L259-R261 PolarHBondContact O-N 3.02Å; L259-V262 PolarHBondContact O-N 3.25Å; L259-V263 WeakPolarHBondContact O-CG2 3.36Å; L259-V263 PolarHBondContact O-N 3.41Å
260	C	92.5	Very high	89.3	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-40.7	177.7	-67.3	0	0	0	0	111.7	F244 L256 F257 L258 V263 A264	F244-C260 HydrophobicContact CD1-CB 4.44Å; L256-C260 PolarHBondContact O-N 2.9Å; L256-C260 PolarHBondContact O-SG 2.94Å; F257-C260 PolarHBondContact O-N 3.27Å; L258-C260 PolarHBondContact O-N 3.49Å; C260-V263 PolarHBondContact O-N 3.44Å; C260-A264 WeakPolarHBondContact O-CB 3.43Å; C260-A264 PolarHBondContact O-N 3.42Å
261	R	90.4	Very high	89.6	Confident	3 Å²	3	29.6 Å²	29.6	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-72.4	-29.3	178.3	-68.7	-58.8	-169.6	121.2	12	114.2	E181 V210 S248 F257 L258 L259 G265	E181-R261 IonicContact OE1-CZ 3.74Å; E181-R261 IonicContact OE1-NE 2.99Å; E181-R261 IonicContact OE1-NH1 2.9Å; E181-R261 PolarHBondContact OE1-NH1 3.34Å; E181-R261 IonicContact OE2-NH1 2.73Å; V210-R261 HydrophobicContact CG2-CB 3.86Å; S248-R261 PolarHBondContact OG-NE 3.48Å; F257-R261 HydrophobicContact CE1-CG 4.45Å; F257-R261 HydrophobicContact CE2-CG 4.43Å; F257-R261 HydrophobicContact CZ-CG 4.26Å; F257-R261 WeakPolarHBondContact O-CG 3.48Å; F257-R261 PolarHBondContact O-N 3.19Å; L258-R261 PolarHBondContact O-N 3.42Å; L258-R261 VanDerWaalsContact O-N 3.14Å; L259-R261 VanDerWaalsContact C-N 3.29Å; L259-R261 PolarHBondContact O-N 3.02Å; R261-G265 PolarHBondContact O-N 2.9Å
262	V	92.5	Very high	89.8	Confident	37 Å²	37	29.6 Å²	29.6	22%	0.224	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-42.8	169.5	175.1	0	0	0	0	111.2	I209 L258 L259 G265 F266	I209-V262 HydrophobicContact CB-CG2 4.11Å; I209-V262 HydrophobicContact CD1-CG2 3.6Å; I209-V262 HydrophobicContact CG1-CG2 3.51Å; I209-V262 HydrophobicContact CG2-CG2 3.73Å; L258-V262 WeakPolarHBondContact O-CG2 3.4Å; L258-V262 PolarHBondContact O-N 2.88Å; L259-V262 PolarHBondContact O-N 3.25Å; V262-G265 PolarHBondContact O-N 3.29Å; V262-F266 WeakPolarHBondContact O-CB 3.4Å; V262-F266 PolarHBondContact O-N 3.18Å
263	V	94.6	Very high	90.5	Very high	42 Å²	42	25.3 Å²	25.3	26%	0.255	15%	0.153	S	C	.	.	H	α-helix	trans	-73.1	-35.5	-179.8	-176.2	0	0	0	0	111.7	T240 F244 L259 C260 F266 G267	T240-V263 HydrophobicContact CG2-CG1 4.12Å; F244-V263 HydrophobicContact CD1-CB 4.15Å; F244-V263 HydrophobicContact CD1-CG1 4.19Å; F244-V263 HydrophobicContact CD2-CB 4.14Å; F244-V263 HydrophobicContact CD2-CG1 3.4Å; F244-V263 VanDerWaalsContact CD2-CG1 3.4Å; F244-V263 HydrophobicContact CE1-CB 4.43Å; F244-V263 HydrophobicContact CE1-CG1 4.24Å; F244-V263 HydrophobicContact CE2-CB 4.43Å; F244-V263 HydrophobicContact CE2-CG1 3.46Å; F244-V263 VanDerWaalsContact CE2-CG1 3.46Å; F244-V263 HydrophobicContact CG-CB 4Å; F244-V263 HydrophobicContact CG-CG1 3.8Å; F244-V263 HydrophobicContact CZ-CG1 3.89Å; L259-V263 WeakPolarHBondContact O-CG2 3.36Å; L259-V263 PolarHBondContact O-N 3.41Å; C260-V263 PolarHBondContact O-N 3.44Å; V263-F266 PolarHBondContact O-N 2.85Å; V263-G267 PolarHBondContact O-N 2.91Å
264	A	93.3	Very high	91.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-50.2	168.4	0	0	0	0	0	111	N241 F244 A245 C260 F266 G267 I268	N241-A264 WeakPolarHBondContact OD1-CB 3.16Å; N241-A264 PolarHBondContact OD1-O 3.47Å; F244-A264 HydrophobicContact CB-CB 4.08Å; A245-A264 HydrophobicContact CB-CB 4.46Å; C260-A264 WeakPolarHBondContact O-CB 3.43Å; C260-A264 PolarHBondContact O-N 3.42Å; A264-F266 VanDerWaalsContact C-N 3.3Å; A264-F266 PolarHBondContact O-N 3.49Å; A264-G267 WeakPolarHBondContact O-CA 3.48Å; A264-G267 PolarHBondContact O-N 2.83Å; A264-I268 PolarHBondContact O-N 2.86Å
265	G	93	Very high	91.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-51.9	-43.9	172.6	0	0	0	0	0	113.5	M214 R261 V262 I268 G269	M214-G265 VanDerWaalsContact CA-O 3.26Å; M214-G265 WeakPolarHBondContact CA-O 3.33Å; M214-G265 PolarHBondContact N-O 3.23Å; R261-G265 PolarHBondContact O-N 2.9Å; V262-G265 PolarHBondContact O-N 3.29Å; G265-I268 PolarHBondContact O-N 3.23Å; G265-G269 PolarHBondContact O-N 2.96Å
266	F	95.2	Very high	92.2	Very high	54 Å²	54	18.3 Å²	18.3	24%	0.237	10%	0.097	C	C	.	.	H	α-helix	trans	-64.3	-39.9	174.6	172.4	-97.6	0	0	0	112.9	G213 V216 G217 F220 W221 V262 V263 A264	G213-F266 WeakPolarHBondContact O-CA 3.24Å; V216-F266 HydrophobicContact CB-CD2 4.31Å; V216-F266 HydrophobicContact CG1-CD2 4.04Å; V216-F266 HydrophobicContact CG1-CE2 4.05Å; G217-F266 VanDerWaalsContact CA-O 3.23Å; G217-F266 WeakPolarHBondContact CA-O 3.47Å; F220-F266 HydrophobicContact CB-CE2 3.94Å; F220-F266 HydrophobicContact CB-CZ 4.24Å; F220-F266 HydrophobicContact CD1-CE1 4.44Å; F220-F266 HydrophobicContact CD1-CE2 4.08Å; F220-F266 AromaticContact CD1-CZ 3.49Å; F220-F266 HydrophobicContact CD1-CZ 3.49Å; F220-F266 VanDerWaalsContact CD1-CZ 3.49Å; F220-F266 AromaticContact CE1-CZ 3.99Å; F220-F266 HydrophobicContact CE1-CZ 3.99Å; F220-F266 HydrophobicContact CG-CE2 4.12Å; F220-F266 AromaticContact CG-CZ 3.92Å; F220-F266 HydrophobicContact CG-CZ 3.92Å; W221-F266 AromaticContact CE2-CE1 3.76Å; W221-F266 HydrophobicContact CZ2-CD1 4.37Å; W221-F266 AromaticContact CZ2-CE1 3.63Å; W221-F266 HydrophobicContact CZ2-CE1 3.63Å; W221-F266 HydrophobicContact CZ2-CZ 4.23Å; W221-F266 AromaticContact NE1-CD1 3.83Å; W221-F266 AromaticContact NE1-CE1 3.57Å; W221-F266 AromaticContact NE1-CZ 3.82Å; W221-F266 PolarHBondContact NE1-O 3.3Å; V262-F266 WeakPolarHBondContact O-CB 3.4Å; V262-F266 PolarHBondContact O-N 3.18Å; V263-F266 PolarHBondContact O-N 2.85Å; A264-F266 VanDerWaalsContact C-N 3.3Å; A264-F266 PolarHBondContact O-N 3.49Å
267	G	94.3	Very high	92.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64	-49.4	173.5	0	0	0	0	0	112.4	C237 V263 A264	C237-G267 WeakPolarHBondContact CB-O 3.36Å; C237-G267 CarbonylContact O-C 3.58Å; C237-G267 WeakPolarHBondContact O-CA 3.47Å; C237-G267 PolarHBondContact SG-O 3.24Å; C237-G267 VanDerWaalsContact SG-O 3.35Å; V263-G267 PolarHBondContact O-N 2.91Å; A264-G267 WeakPolarHBondContact O-CA 3.48Å; A264-G267 PolarHBondContact O-N 2.83Å
268	I	92.4	Very high	92.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-75.2	-30.2	-172.6	-160.5	58	0	0	0	113.5	D178 E181 M214 M238 N241 A264 G265 G270 A271	D178-I268 HydrophobicContact CB-CD1 4.03Å; D178-I268 HydrophobicContact CB-CG1 4.03Å; E181-I268 HydrophobicContact CB-CG1 4.44Å; E181-I268 HydrophobicContact CG-CG2 4.34Å; M214-I268 HydrophobicContact CE-CG2 4.05Å; M214-I268 HydrophobicContact CG-CG2 4.17Å; M238-I268 HydrophobicContact CE-CD1 3.64Å; M238-I268 HydrophobicContact SD-CD1 3.54Å; M238-I268 VanDerWaalsContact SD-CD1 3.54Å; N241-I268 HydrophobicContact CB-CB 4.14Å; N241-I268 HydrophobicContact CB-CD1 4.43Å; A264-I268 PolarHBondContact O-N 2.86Å; G265-I268 PolarHBondContact O-N 3.23Å; I268-G270 PolarHBondContact O-N 3.38Å; I268-A271 HydrophobicContact CD1-CB 4.01Å; I268-A271 VanDerWaalsContact O-CB 3.24Å; I268-A271 WeakPolarHBondContact O-CB 3.29Å; I268-A271 PolarHBondContact O-N 3.19Å
269	G	91.1	Very high	92.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.7	179.7	0	0	0	0	0	115.2	A218 G265 N689	A218-G269 VanDerWaalsContact CA-O 3.25Å; A218-G269 WeakPolarHBondContact CA-O 3.34Å; A218-G269 WeakPolarHBondContact CB-O 3.34Å; G265-G269 PolarHBondContact O-N 2.96Å; G269-N689 PolarHBondContact O-ND2 3.5Å
270	G	90.1	Very high	92.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-20.1	172.9	0	0	0	0	0	115.4	I268 V272 P273 I274	I268-G270 PolarHBondContact O-N 3.38Å; G270-V272 PolarHBondContact O-N 3.22Å; G270-P273 WeakPolarHBondContact O-CD 3.44Å; G270-P273 WeakPolarHBondContact O-CG 3.29Å; G270-I274 VanDerWaalsContact O-CD1 3.27Å; G270-I274 WeakPolarHBondContact O-CD1 3.27Å; G270-I274 WeakPolarHBondContact O-CG1 3.19Å; G270-I274 PolarHBondContact O-N 3.24Å
271	A	93.3	Very high	92.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61	-49.7	-169	0	0	0	0	0	112.9	D178 L234 M238 I268 I274 V275	D178-A271 HydrophobicContact CB-CB 4.35Å; L234-A271 HydrophobicContact CD1-CB 4.35Å; M238-A271 HydrophobicContact CE-CB 3.46Å; M238-A271 VanDerWaalsContact CE-CB 3.46Å; I268-A271 HydrophobicContact CD1-CB 4.01Å; I268-A271 VanDerWaalsContact O-CB 3.24Å; I268-A271 WeakPolarHBondContact O-CB 3.29Å; I268-A271 PolarHBondContact O-N 3.19Å; A271-I274 PolarHBondContact O-N 2.88Å; A271-V275 VanDerWaalsContact O-CB 3.32Å; A271-V275 WeakPolarHBondContact O-CB 3.26Å; A271-V275 VanDerWaalsContact O-CG2 3.28Å; A271-V275 WeakPolarHBondContact O-CG2 3.38Å; A271-V275 PolarHBondContact O-N 2.95Å
272	V	92.8	Very high	92.7	Very high	12 Å²	12	7.6 Å²	7.6	7%	0.073	4%	0.041	C	C	.	.	H	α-helix	trans	-56	-62.1	-178.6	-176.6	0	0	0	0	112.4	L175 G270 I274 V275 F276 F685	L175-V272 HydrophobicContact CD2-CG2 4.1Å; G270-V272 PolarHBondContact O-N 3.22Å; V272-I274 PolarHBondContact O-N 2.95Å; V272-V275 PolarHBondContact O-N 3.13Å; V272-F276 HydrophobicContact CG1-CD2 3.73Å; V272-F276 HydrophobicContact CG1-CE2 3.95Å; V272-F276 WeakPolarHBondContact O-CB 3.41Å; V272-F276 WeakPolarHBondContact O-CD2 3.48Å; V272-F276 PolarHBondContact O-N 3.14Å; V272-F276 VanDerWaalsContact O-N 3.08Å; V272-F685 HydrophobicContact CG1-CE2 3.84Å; V272-F685 HydrophobicContact CG1-CZ 4.07Å
273	P	93.3	Very high	92.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57.7	-35.6	-177.4	19.9	-31.8	0	0	0	113.2	G270 S277 F685	G270-P273 WeakPolarHBondContact O-CD 3.44Å; G270-P273 WeakPolarHBondContact O-CG 3.29Å; P273-S277 VanDerWaalsContact O-CB 3.27Å; P273-S277 WeakPolarHBondContact O-CB 3.34Å; P273-S277 PolarHBondContact O-N 3.02Å; P273-S277 VanDerWaalsContact O-N 3.12Å; P273-S277 PolarHBondContact O-OG 3.24Å; P273-F685 HydrophobicContact CB-CB 3.89Å; P273-F685 HydrophobicContact CB-CD2 3.62Å; P273-F685 HydrophobicContact CB-CE2 4.42Å; P273-F685 HydrophobicContact CB-CG 3.91Å
274	I	94.4	Very high	91.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-75.8	-47.3	-176.9	-56.2	169	0	0	0	111.2	W221 R230 C233 L234 G270 A271 V272 F276 S277 F278	W221-I274 HydrophobicContact CB-CD1 4.06Å; R230-I274 HydrophobicContact CB-CG2 4.25Å; R230-I274 WeakPolarHBondContact O-CG2 3.15Å; C233-I274 HydrophobicContact CB-CD1 3.96Å; C233-I274 WeakPolarHBondContact SG-CD1 3.42Å; L234-I274 HydrophobicContact CB-CG2 3.87Å; L234-I274 HydrophobicContact CD1-CB 4.48Å; G270-I274 VanDerWaalsContact O-CD1 3.27Å; G270-I274 WeakPolarHBondContact O-CD1 3.27Å; G270-I274 WeakPolarHBondContact O-CG1 3.19Å; G270-I274 PolarHBondContact O-N 3.24Å; A271-I274 PolarHBondContact O-N 2.88Å; V272-I274 PolarHBondContact O-N 2.95Å; I274-F276 PolarHBondContact O-N 3.32Å; I274-S277 PolarHBondContact O-N 2.98Å; I274-F278 VanDerWaalsContact O-CB 3.24Å; I274-F278 WeakPolarHBondContact O-CB 3.41Å; I274-F278 PolarHBondContact O-N 3.41Å
275	V	95.3	Very high	90.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.6	-49.9	177.5	162.7	0	0	0	0	110.7	L171 A174 L175 L234 A271 V272 S277 F278 F279 L295	L171-V275 HydrophobicContact CB-CG1 3.84Å; L171-V275 HydrophobicContact CD1-CG1 4.48Å; L171-V275 HydrophobicContact CD2-CG2 4.24Å; A174-V275 HydrophobicContact CB-CG2 3.85Å; L175-V275 HydrophobicContact CD1-CG1 3.63Å; L175-V275 HydrophobicContact CD2-CB 4.4Å; L175-V275 HydrophobicContact CD2-CG1 4.26Å; L175-V275 HydrophobicContact CG-CB 4.3Å; L175-V275 HydrophobicContact CG-CG1 3.74Å; L175-V275 HydrophobicContact CG-CG2 4.48Å; L234-V275 HydrophobicContact CD1-CG2 3.92Å; L234-V275 HydrophobicContact CD2-CG2 3.74Å; A271-V275 VanDerWaalsContact O-CB 3.32Å; A271-V275 WeakPolarHBondContact O-CB 3.26Å; A271-V275 VanDerWaalsContact O-CG2 3.28Å; A271-V275 WeakPolarHBondContact O-CG2 3.38Å; A271-V275 PolarHBondContact O-N 2.95Å; V272-V275 PolarHBondContact O-N 3.13Å; V275-S277 VanDerWaalsContact C-N 3.35Å; V275-S277 PolarHBondContact O-N 3.18Å; V275-F278 PolarHBondContact O-N 3.47Å; V275-F279 WeakPolarHBondContact O-CB 3.33Å; V275-F279 PolarHBondContact O-N 3.36Å; V275-L295 HydrophobicContact CG1-CD2 3.88Å
276	F	93.3	Very high	90	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.018	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-38.2	-178.2	-87.7	-80.7	0	0	0	112.1	L175 V272 I274 A280 L292 C296 D669 T673 F685	L175-F276 HydrophobicContact CD1-CD2 4.48Å; L175-F276 HydrophobicContact CD1-CE2 3.84Å; L175-F276 HydrophobicContact CD1-CZ 4.2Å; L175-F276 HydrophobicContact CD2-CD2 4.37Å; L175-F276 HydrophobicContact CD2-CE2 3.95Å; V272-F276 HydrophobicContact CG1-CD2 3.73Å; V272-F276 HydrophobicContact CG1-CE2 3.95Å; V272-F276 WeakPolarHBondContact O-CB 3.41Å; V272-F276 WeakPolarHBondContact O-CD2 3.48Å; V272-F276 PolarHBondContact O-N 3.14Å; V272-F276 VanDerWaalsContact O-N 3.08Å; I274-F276 PolarHBondContact O-N 3.32Å; F276-A280 VanDerWaalsContact O-CB 3.26Å; F276-A280 WeakPolarHBondContact O-CB 3.32Å; F276-A280 PolarHBondContact O-N 3.4Å; F276-A280 VanDerWaalsContact O-N 3.16Å; F276-L292 HydrophobicContact CD1-CD2 3.87Å; F276-L292 HydrophobicContact CE1-CD2 4.44Å; F276-C296 VanDerWaalsContact CZ-SG 3.56Å; F276-D669 HydrophobicContact CD1-CB 4.16Å; F276-D669 HydrophobicContact CE1-CB 3.78Å; F276-D669 HydrophobicContact CE2-CB 4.29Å; F276-D669 HydrophobicContact CZ-CB 3.86Å; F276-T673 HydrophobicContact CB-CG2 3.6Å; F276-T673 HydrophobicContact CD1-CG2 4.17Å; F276-T673 HydrophobicContact CG-CG2 4.32Å; F276-F685 HydrophobicContact CB-CE1 3.93Å; F276-F685 HydrophobicContact CB-CZ 4.3Å; F276-F685 HydrophobicContact CD2-CZ 4.41Å; F276-F685 HydrophobicContact CG-CE1 4.34Å; F276-F685 HydrophobicContact CG-CZ 4.38Å
277	S	92.1	Very high	89.1	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-67.3	-47	174.8	-58	0	0	0	0	112.6	P273 I274 V275 F279 A280 E281 R681	P273-S277 VanDerWaalsContact O-CB 3.27Å; P273-S277 WeakPolarHBondContact O-CB 3.34Å; P273-S277 PolarHBondContact O-N 3.02Å; P273-S277 VanDerWaalsContact O-N 3.12Å; P273-S277 PolarHBondContact O-OG 3.24Å; I274-S277 PolarHBondContact O-N 2.98Å; V275-S277 VanDerWaalsContact C-N 3.35Å; V275-S277 PolarHBondContact O-N 3.18Å; S277-F279 PolarHBondContact O-N 3.42Å; S277-A280 PolarHBondContact O-N 3.33Å; S277-E281 WeakPolarHBondContact O-CG 3.45Å; S277-E281 PolarHBondContact O-N 3.07Å; S277-E281 VanDerWaalsContact O-N 3.15Å; S277-R681 WeakPolarHBondContact OG-CD 3.18Å; S277-R681 WeakPolarHBondContact OG-CG 3.4Å
278	F	93.4	Very high	88.6	Confident	3 Å²	3	18.8 Å²	18.8	1%	0.013	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-41.6	-178.1	-175.2	-160.9	0	0	0	112.1	L167 L171 R230 R231 I274 V275 E281 V282 P354	L167-F278 HydrophobicContact CD1-CE1 3.86Å; L167-F278 HydrophobicContact CD1-CZ 3.91Å; L171-F278 HydrophobicContact CD1-CB 4.45Å; L171-F278 HydrophobicContact CD1-CD1 3.97Å; L171-F278 HydrophobicContact CD1-CG 4.35Å; L171-F278 HydrophobicContact CD2-CD1 3.74Å; L171-F278 HydrophobicContact CD2-CE1 4.1Å; L171-F278 HydrophobicContact CG-CD1 4.45Å; R230-F278 HydrophobicContact CB-CB 3.91Å; R230-F278 HydrophobicContact CB-CD1 4.5Å; R230-F278 HydrophobicContact CB-CD2 4.18Å; R230-F278 HydrophobicContact CB-CG 3.96Å; R230-F278 HydrophobicContact CG-CB 4.28Å; R231-F278 HydrophobicContact CB-CE1 4.28Å; R231-F278 HydrophobicContact CB-CZ 4.42Å; I274-F278 VanDerWaalsContact O-CB 3.24Å; I274-F278 WeakPolarHBondContact O-CB 3.41Å; I274-F278 PolarHBondContact O-N 3.41Å; V275-F278 PolarHBondContact O-N 3.47Å; F278-E281 PolarHBondContact O-N 2.9Å; F278-V282 HydrophobicContact CD2-CG2 4.43Å; F278-V282 HydrophobicContact CE2-CG2 4.33Å; F278-P354 WeakPolarHBondContact CZ-O 3.45Å
279	F	93.2	Very high	88	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.4	-39.6	176.9	-162	-124.4	0	0	0	111.9	L167 F168 L171 V275 S277 E281 V282 L283 H291 L292 L295	L167-F279 HydrophobicContact CD2-CD2 4.07Å; L167-F279 HydrophobicContact CG-CD2 4.12Å; F168-F279 HydrophobicContact CB-CE2 3.79Å; F168-F279 HydrophobicContact CB-CZ 3.71Å; F168-F279 AromaticContact CD2-CE1 3.95Å; F168-F279 HydrophobicContact CD2-CE1 3.95Å; F168-F279 HydrophobicContact CD2-CE2 4.42Å; F168-F279 AromaticContact CD2-CZ 3.62Å; F168-F279 HydrophobicContact CD2-CZ 3.62Å; F168-F279 HydrophobicContact CG-CZ 4.14Å; L171-F279 HydrophobicContact CD1-CB 3.75Å; L171-F279 HydrophobicContact CD1-CD2 4Å; L171-F279 HydrophobicContact CD1-CG 4.25Å; V275-F279 WeakPolarHBondContact O-CB 3.33Å; V275-F279 PolarHBondContact O-N 3.36Å; S277-F279 PolarHBondContact O-N 3.42Å; F279-E281 VanDerWaalsContact C-N 3.25Å; F279-E281 PolarHBondContact O-N 2.87Å; F279-V282 PolarHBondContact O-N 2.89Å; F279-L283 HydrophobicContact CD1-CD1 4.23Å; F279-L283 HydrophobicContact CD1-CD2 3.97Å; F279-L283 HydrophobicContact CD2-CD1 3.75Å; F279-L283 HydrophobicContact CE1-CD1 3.99Å; F279-L283 HydrophobicContact CE1-CD2 3.48Å; F279-L283 VanDerWaalsContact CE1-CD2 3.48Å; F279-L283 HydrophobicContact CE1-CG 4.41Å; F279-L283 HydrophobicContact CE2-CD1 3.44Å; F279-L283 VanDerWaalsContact CE2-CD1 3.44Å; F279-L283 HydrophobicContact CE2-CD2 4.43Å; F279-L283 HydrophobicContact CG-CD1 4.13Å; F279-L283 HydrophobicContact CZ-CD1 3.56Å; F279-L283 HydrophobicContact CZ-CD2 3.72Å; F279-L283 HydrophobicContact CZ-CG 4.3Å; F279-L283 WeakPolarHBondContact O-CD1 3.5Å; F279-L283 PolarHBondContact O-N 2.9Å; F279-H291 HydrophobicContact CE1-CB 3.85Å; F279-H291 HydrophobicContact CZ-CB 4.24Å; F279-L292 HydrophobicContact CB-CD2 4.19Å; F279-L292 HydrophobicContact CD1-CD2 3.73Å; F279-L292 HydrophobicContact CD1-CG 4.27Å; F279-L292 HydrophobicContact CG-CD2 4.45Å; F279-L295 HydrophobicContact CB-CD2 4.01Å; F279-L295 HydrophobicContact CD1-CD2 3.62Å; F279-L295 HydrophobicContact CE1-CD2 4.28Å; F279-L295 HydrophobicContact CG-CD2 3.94Å
280	A	90.3	Very high	87.6	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-30.6	177.2	0	0	0	0	0	113.4	F276 S277 L292 L740	F276-A280 VanDerWaalsContact O-CB 3.26Å; F276-A280 WeakPolarHBondContact O-CB 3.32Å; F276-A280 PolarHBondContact O-N 3.4Å; F276-A280 VanDerWaalsContact O-N 3.16Å; S277-A280 PolarHBondContact O-N 3.33Å; A280-L292 HydrophobicContact CB-CD1 4.29Å; A280-L292 HydrophobicContact CB-CD2 4.42Å; A280-L740 HydrophobicContact CB-CD1 4.4Å
281	E	89.2	Confident	87.5	Confident	3 Å²	3	21.9 Å²	21.9	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-73.3	-22.6	177.4	-72.9	166.2	-165.5	0	0	113.9	Y151 R230 S277 F278 F279 S356 T678 R681	Y151-E281 WeakPolarHBondContact CE1-O 3.21Å; Y151-E281 PolarHBondContact OH-O 3.37Å; R230-E281 IonicContact CZ-OE1 2.77Å; R230-E281 VanDerWaalsContact CZ-OE1 3.3Å; R230-E281 IonicContact CZ-OE2 2.67Å; R230-E281 IonicContact NE-OE1 3.73Å; R230-E281 PolarHBondContact NE-OE1 3.42Å; R230-E281 IonicContact NE-OE2 2.69Å; R230-E281 PolarHBondContact NE-OE2 2.87Å; R230-E281 IonicContact NH2-OE1 3.69Å; R230-E281 PolarHBondContact NH2-OE1 2.65Å; R230-E281 IonicContact NH2-OE2 3.42Å; S277-E281 WeakPolarHBondContact O-CG 3.45Å; S277-E281 PolarHBondContact O-N 3.07Å; S277-E281 VanDerWaalsContact O-N 3.15Å; F278-E281 PolarHBondContact O-N 2.9Å; F279-E281 VanDerWaalsContact C-N 3.25Å; F279-E281 PolarHBondContact O-N 2.87Å; E281-S356 WeakPolarHBondContact OE2-CB 3.27Å; E281-S356 PolarHBondContact OE2-OG 3.16Å; E281-T678 HydrophobicContact CG-CG2 3.76Å; E281-T678 VanDerWaalsContact OE1-CG2 3.28Å; E281-T678 WeakPolarHBondContact OE1-CG2 3.32Å; E281-R681 IonicContact OE1-NH1 3.7Å
282	V	89.4	Confident	87.3	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-103.6	0.1	-174.6	-179.5	0	0	0	0	112.4	M155 F163 Q164 L167 F278 F279 I376	M155-V282 WeakPolarHBondContact CE-O 3.29Å; F163-V282 HydrophobicContact CD1-CG1 4.18Å; F163-V282 HydrophobicContact CE1-CG1 3.94Å; Q164-V282 HydrophobicContact CG-CG1 4.35Å; L167-V282 HydrophobicContact CD2-CB 3.77Å; L167-V282 HydrophobicContact CD2-CG1 3.7Å; L167-V282 HydrophobicContact CD2-CG2 3.87Å; F278-V282 HydrophobicContact CD2-CG2 4.43Å; F278-V282 HydrophobicContact CE2-CG2 4.33Å; F279-V282 PolarHBondContact O-N 2.89Å; V282-I376 HydrophobicContact CG1-CD1 4.4Å
283	L	87.8	Confident	87.1	Confident	5 Å²	5	21.3 Å²	21.3	3%	0.026	10%	0.097	C	C	.	.	S	Bend	trans	-112	136	-177.3	-96.6	67.4	0	0	0	112.8	Q164 F279 R288 H291	Q164-L283 HydrophobicContact CB-CD1 4.26Å; Q164-L283 HydrophobicContact CG-CD1 3.96Å; F279-L283 HydrophobicContact CD1-CD1 4.23Å; F279-L283 HydrophobicContact CD1-CD2 3.97Å; F279-L283 HydrophobicContact CD2-CD1 3.75Å; F279-L283 HydrophobicContact CE1-CD1 3.99Å; F279-L283 HydrophobicContact CE1-CD2 3.48Å; F279-L283 VanDerWaalsContact CE1-CD2 3.48Å; F279-L283 HydrophobicContact CE1-CG 4.41Å; F279-L283 HydrophobicContact CE2-CD1 3.44Å; F279-L283 VanDerWaalsContact CE2-CD1 3.44Å; F279-L283 HydrophobicContact CE2-CD2 4.43Å; F279-L283 HydrophobicContact CG-CD1 4.13Å; F279-L283 HydrophobicContact CZ-CD1 3.56Å; F279-L283 HydrophobicContact CZ-CD2 3.72Å; F279-L283 HydrophobicContact CZ-CG 4.3Å; F279-L283 WeakPolarHBondContact O-CD1 3.5Å; F279-L283 PolarHBondContact O-N 2.9Å; L283-R288 HydrophobicContact CB-CB 4.35Å; L283-R288 HydrophobicContact CB-CG 4.36Å; L283-H291 HydrophobicContact CD2-CB 3.36Å
284	S	81.8	Confident	86.9	Confident	17 Å²	17	24 Å²	24	12%	0.119	11%	0.107	C	C	.	.			trans	-68.3	139.1	174	60	0	0	0	0	111.6	E286 K287 R288	S284-E286 PolarHBondContact O-N 3.49Å; S284-K287 PolarHBondContact O-N 3.3Å; S284-K287 VanDerWaalsContact O-N 3.12Å; S284-R288 PolarHBondContact O-N 2.84Å
285	R	73.8	Confident	86.8	Confident	81 Å²	81	24 Å²	24	31%	0.306	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-39.2	-175.6	173.3	172.4	150.7	-177.3	-9.2	116.5	E152 K287 S737	E152-R285 VanDerWaalsContact OE2-CB 3.3Å; E152-R285 WeakPolarHBondContact OE2-CB 3.12Å; E152-R285 PolarHBondContact OE2-N 2.98Å; R285-K287 PolarHBondContact O-N 3.43Å; R285-S737 PolarHBondContact NH1-O 3.37Å; R285-S737 PolarHBondContact NH2-O 2.98Å
286	E	73.6	Confident	86.5	Confident	168 Å²	168	24.2 Å²	24.2	79%	0.785	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-38.9	-177	-64.4	-167.1	145.5	0	0	113.8	S284	S284-E286 PolarHBondContact O-N 3.49Å
287	K	76.9	Confident	86.4	Confident	95 Å²	95	25.9 Å²	25.9	41%	0.413	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-2.3	-173.7	-60.1	-161.7	173.2	-153.5	0	114.3	S284 R285 G289 E290 H291	S284-K287 PolarHBondContact O-N 3.3Å; S284-K287 VanDerWaalsContact O-N 3.12Å; R285-K287 PolarHBondContact O-N 3.43Å; K287-G289 VanDerWaalsContact C-N 3.25Å; K287-G289 PolarHBondContact O-N 3.42Å; K287-E290 PolarHBondContact O-N 2.91Å; K287-H291 PolarHBondContact O-CD2 3.42Å; K287-H291 PolarHBondContact O-N 3.4Å; K287-H291 VanDerWaalsContact O-N 3.11Å
288	R	83.9	Confident	86.5	Confident	2 Å²	2	27 Å²	27	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-54.4	-40.6	-179.2	-172.9	168.2	62.1	-136.4	2.6	112.4	E152 L283 S284 L292 E674	E152-R288 IonicContact OE1-CZ 3.79Å; E152-R288 IonicContact OE1-NH1 3.71Å; E152-R288 PolarHBondContact OE1-NH1 3.46Å; E152-R288 IonicContact OE2-NH1 3.14Å; L283-R288 HydrophobicContact CB-CB 4.35Å; L283-R288 HydrophobicContact CB-CG 4.36Å; S284-R288 PolarHBondContact O-N 2.84Å; R288-L292 HydrophobicContact CG-CD1 3.6Å; R288-L292 HydrophobicContact CG-CG 4.37Å; R288-L292 VanDerWaalsContact O-CB 3.3Å; R288-L292 WeakPolarHBondContact O-CB 3.41Å; R288-L292 VanDerWaalsContact O-CD1 3.31Å; R288-L292 WeakPolarHBondContact O-CD1 3.39Å; R288-L292 WeakPolarHBondContact O-CG 3.48Å; R288-L292 PolarHBondContact O-N 3.19Å; R288-E674 IonicContact CZ-OE1 2.76Å; R288-E674 IonicContact NE-OE1 3.46Å; R288-E674 PolarHBondContact NE-OE1 3.08Å; R288-E674 IonicContact NH2-OE1 2.69Å; R288-E674 PolarHBondContact NH2-OE1 2.99Å
289	G	79	Confident	86.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-58.7	176.8	0	0	0	0	0	113.5	K287 H291 L292 S293	K287-G289 VanDerWaalsContact C-N 3.25Å; K287-G289 PolarHBondContact O-N 3.42Å; G289-H291 VanDerWaalsContact C-N 3.34Å; G289-H291 PolarHBondContact O-N 3.37Å; G289-L292 PolarHBondContact O-N 3.12Å; G289-S293 WeakPolarHBondContact O-CB 3.34Å; G289-S293 PolarHBondContact O-N 2.86Å
290	E	82.3	Confident	86.3	Confident	58 Å²	58	28.9 Å²	28.9	27%	0.271	13%	0.129	S	C	.	.	H	α-helix	trans	-49.3	-54.3	178.1	-152.1	-154.8	145.2	0	0	111.5	K287 S293 W294 D619	K287-E290 PolarHBondContact O-N 2.91Å; E290-S293 WeakPolarHBondContact O-CB 3.24Å; E290-S293 PolarHBondContact O-N 3.39Å; E290-W294 PolarHBondContact O-N 2.96Å; E290-W294 PolarHBondContact OE1-NE1 2.85Å; E290-D619 WeakPolarHBondContact CB-OD2 3.43Å
291	H	88.3	Confident	86.4	Confident	7 Å²	7	32.1 Å²	32.1	3%	0.032	15%	0.145	C	C	.	.	H	α-helix	trans	-73.3	-34	-173	-71.4	-55.7	0	0	0	113.8	H160 W165 F279 L283 K287 G289 S293 W294 L295	H160-H291 AromaticContact CE1-CD2 3.08Å; H160-H291 PolarHBondContact CE1-CD2 3.16Å; H160-H291 AromaticContact CE1-CE1 3.59Å; H160-H291 AromaticContact CE1-CG 3.58Å; H160-H291 AromaticContact CE1-ND1 3.84Å; H160-H291 AromaticContact CE1-NE2 3.11Å; H160-H291 PolarHBondContact CE1-NE2 3.22Å; H160-H291 AromaticContact ND1-NE2 3.79Å; H160-H291 AromaticContact NE2-CE1 3.69Å; H160-H291 AromaticContact NE2-NE2 3.72Å; W165-H291 AromaticContact CZ2-CE1 3.88Å; F279-H291 HydrophobicContact CE1-CB 3.85Å; F279-H291 HydrophobicContact CZ-CB 4.24Å; L283-H291 HydrophobicContact CD2-CB 3.36Å; K287-H291 PolarHBondContact O-CD2 3.42Å; K287-H291 PolarHBondContact O-N 3.4Å; K287-H291 VanDerWaalsContact O-N 3.11Å; G289-H291 VanDerWaalsContact C-N 3.34Å; G289-H291 PolarHBondContact O-N 3.37Å; H291-S293 VanDerWaalsContact C-N 3.3Å; H291-W294 PolarHBondContact O-N 3.38Å; H291-L295 WeakPolarHBondContact O-CB 3.32Å; H291-L295 PolarHBondContact O-N 3.36Å
292	L	89.8	Confident	86.6	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.3	-34.4	171.1	-71.1	163.9	0	0	0	111	F276 F279 A280 R288 G289 L295 C296 V670	F276-L292 HydrophobicContact CD1-CD2 3.87Å; F276-L292 HydrophobicContact CE1-CD2 4.44Å; F279-L292 HydrophobicContact CB-CD2 4.19Å; F279-L292 HydrophobicContact CD1-CD2 3.73Å; F279-L292 HydrophobicContact CD1-CG 4.27Å; F279-L292 HydrophobicContact CG-CD2 4.45Å; A280-L292 HydrophobicContact CB-CD1 4.29Å; A280-L292 HydrophobicContact CB-CD2 4.42Å; R288-L292 HydrophobicContact CG-CD1 3.6Å; R288-L292 HydrophobicContact CG-CG 4.37Å; R288-L292 VanDerWaalsContact O-CB 3.3Å; R288-L292 WeakPolarHBondContact O-CB 3.41Å; R288-L292 VanDerWaalsContact O-CD1 3.31Å; R288-L292 WeakPolarHBondContact O-CD1 3.39Å; R288-L292 WeakPolarHBondContact O-CG 3.48Å; R288-L292 PolarHBondContact O-N 3.19Å; G289-L292 PolarHBondContact O-N 3.12Å; L292-L295 WeakPolarHBondContact O-CB 3.33Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-C296 PolarHBondContact O-N 3.26Å; L292-C296 PolarHBondContact O-SG 3.02Å; L292-V670 HydrophobicContact CB-CG2 3.71Å; L292-V670 HydrophobicContact CD1-CG1 4.26Å
293	S	87.4	Confident	86.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-42.6	174.6	-158.6	0	0	0	0	112.3	G289 E290 H291 L295 C296 A615	G289-S293 WeakPolarHBondContact O-CB 3.34Å; G289-S293 PolarHBondContact O-N 2.86Å; E290-S293 WeakPolarHBondContact O-CB 3.24Å; E290-S293 PolarHBondContact O-N 3.39Å; H291-S293 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact O-N 3.36Å; S293-C296 WeakPolarHBondContact O-CB 3.34Å; S293-C296 PolarHBondContact O-N 3.17Å; S293-A615 WeakPolarHBondContact OG-CA 3.44Å
294	W	90.5	Very high	86.9	Confident	58 Å²	58	33.4 Å²	33.4	22%	0.22	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-29.8	170.3	-76.3	118.6	0	0	0	112.6	F168 E290 H291 M297 A615 L616	F168-W294 HydrophobicContact CE2-CB 3.81Å; F168-W294 HydrophobicContact CZ-CB 3.82Å; E290-W294 PolarHBondContact O-N 2.96Å; E290-W294 PolarHBondContact OE1-NE1 2.85Å; H291-W294 PolarHBondContact O-N 3.38Å; W294-M297 HydrophobicContact CE3-CE 3.58Å; W294-M297 HydrophobicContact CE3-CG 4.29Å; W294-M297 HydrophobicContact CE3-SD 3.61Å; W294-M297 HydrophobicContact CZ3-CE 3.79Å; W294-M297 HydrophobicContact CZ3-SD 3.63Å; W294-M297 WeakPolarHBondContact O-CB 3.28Å; W294-M297 PolarHBondContact O-N 2.99Å; W294-A615 HydrophobicContact CD2-CB 4.15Å; W294-A615 HydrophobicContact CE3-CB 4.31Å; W294-L616 HydrophobicContact CH2-CD2 4.27Å; W294-L616 HydrophobicContact CZ2-CD2 3.94Å
295	L	92.1	Very high	87.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71	-34.8	178.9	-178.1	64.4	0	0	0	111.4	F168 L171 L175 V275 F279 H291 L292 S293 M297 F298	F168-L295 HydrophobicContact CD2-CB 4.24Å; F168-L295 HydrophobicContact CD2-CD1 4.15Å; F168-L295 HydrophobicContact CE2-CB 3.95Å; F168-L295 HydrophobicContact CE2-CD1 4.36Å; L171-L295 HydrophobicContact CB-CD1 4.34Å; L175-L295 HydrophobicContact CD1-CD1 4.02Å; L175-L295 HydrophobicContact CD1-CD2 4.13Å; L175-L295 HydrophobicContact CD1-CG 3.62Å; V275-L295 HydrophobicContact CG1-CD2 3.88Å; F279-L295 HydrophobicContact CB-CD2 4.01Å; F279-L295 HydrophobicContact CD1-CD2 3.62Å; F279-L295 HydrophobicContact CE1-CD2 4.28Å; F279-L295 HydrophobicContact CG-CD2 3.94Å; H291-L295 WeakPolarHBondContact O-CB 3.32Å; H291-L295 PolarHBondContact O-N 3.36Å; L292-L295 WeakPolarHBondContact O-CB 3.33Å; L292-L295 PolarHBondContact O-N 3.26Å; S293-L295 PolarHBondContact O-N 3.36Å; L295-M297 PolarHBondContact O-N 3.12Å; L295-M297 VanDerWaalsContact O-N 3.14Å; L295-F298 HydrophobicContact CD1-CD2 4.27Å; L295-F298 PolarHBondContact O-N 2.83Å; L295-F298 VanDerWaalsContact O-N 3.16Å
296	C	89.4	Confident	88.3	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-55.8	-27.5	171.8	-55.9	0	0	0	0	113	F276 L292 S293 F298 W299 N666	F276-C296 VanDerWaalsContact CZ-SG 3.56Å; L292-C296 PolarHBondContact O-N 3.26Å; L292-C296 PolarHBondContact O-SG 3.02Å; S293-C296 WeakPolarHBondContact O-CB 3.34Å; S293-C296 PolarHBondContact O-N 3.17Å; C296-F298 PolarHBondContact O-N 3.05Å; C296-W299 WeakPolarHBondContact O-CB 3.26Å; C296-W299 PolarHBondContact O-N 3.29Å; C296-N666 HydrophobicContact CB-CB 4.3Å; C296-N666 WeakPolarHBondContact CB-OD1 3.47Å
297	M	90.9	Very high	89.1	Confident	39 Å²	39	23.9 Å²	23.9	19%	0.192	11%	0.106	C	C	.	.	H	α-helix	trans	-58.4	-32.4	178.3	-66.7	-153.1	-44.5	0	0	113.1	W294 L295 W299 M300 I301 N611 I612	W294-M297 HydrophobicContact CE3-CE 3.58Å; W294-M297 HydrophobicContact CE3-CG 4.29Å; W294-M297 HydrophobicContact CE3-SD 3.61Å; W294-M297 HydrophobicContact CZ3-CE 3.79Å; W294-M297 HydrophobicContact CZ3-SD 3.63Å; W294-M297 WeakPolarHBondContact O-CB 3.28Å; W294-M297 PolarHBondContact O-N 2.99Å; L295-M297 PolarHBondContact O-N 3.12Å; L295-M297 VanDerWaalsContact O-N 3.14Å; M297-W299 PolarHBondContact O-N 3.4Å; M297-M300 PolarHBondContact O-N 2.7Å; M297-M300 VanDerWaalsContact O-N 3.15Å; M297-I301 WeakPolarHBondContact O-CG1 3.47Å; M297-I301 PolarHBondContact O-N 3.23Å; M297-N611 WeakPolarHBondContact CG-OD1 3.26Å; M297-I612 HydrophobicContact SD-CG1 4.09Å
298	F	93.5	Very high	89.8	Confident	24 Å²	24	20.3 Å²	20.3	11%	0.105	9%	0.094	C	C	.	.	H	α-helix	trans	-65	-29.8	-178	-78.3	-86.5	0	0	0	113.1	F168 F169 G172 L175 M176 L295 C296 I301 G302	F168-F298 HydrophobicContact CD1-CE2 4.16Å; F168-F298 AromaticContact CE1-CE2 3.59Å; F168-F298 HydrophobicContact CE1-CE2 3.59Å; F168-F298 HydrophobicContact CE1-CZ 4.11Å; F168-F298 HydrophobicContact CE2-CE2 4.33Å; F168-F298 HydrophobicContact CZ-CD2 4.48Å; F168-F298 AromaticContact CZ-CE2 3.68Å; F168-F298 HydrophobicContact CZ-CE2 3.68Å; F169-F298 HydrophobicContact CD1-CE1 4.37Å; F169-F298 AromaticContact CD1-CZ 3.74Å; F169-F298 HydrophobicContact CD1-CZ 3.74Å; F169-F298 HydrophobicContact CE1-CZ 4.05Å; G172-F298 VanDerWaalsContact CA-CD2 3.46Å; G172-F298 VanDerWaalsContact O-CB 3.22Å; G172-F298 WeakPolarHBondContact O-CB 3.46Å; L175-F298 HydrophobicContact CB-CB 4.33Å; M176-F298 VanDerWaalsContact CA-O 3.31Å; M176-F298 WeakPolarHBondContact CA-O 3.43Å; M176-F298 HydrophobicContact CB-CB 4.46Å; L295-F298 HydrophobicContact CD1-CD2 4.27Å; L295-F298 PolarHBondContact O-N 2.83Å; L295-F298 VanDerWaalsContact O-N 3.16Å; C296-F298 PolarHBondContact O-N 3.05Å; F298-I301 HydrophobicContact CD1-CD1 4.4Å; F298-I301 PolarHBondContact O-N 2.82Å; F298-G302 PolarHBondContact O-N 2.89Å
299	W	92.8	Very high	90.1	Very high	39 Å²	39	22.6 Å²	22.6	15%	0.148	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-43.6	174	-162.6	82.8	0	0	0	111	D178 V182 F183 C296 M297 G302 E303	D178-W299 PolarHBondContact OD2-NE1 3.09Å; V182-W299 HydrophobicContact CG1-CZ2 4.41Å; F183-W299 HydrophobicContact CE2-CE3 4.47Å; F183-W299 AromaticContact CE2-CH2 3.47Å; F183-W299 HydrophobicContact CE2-CH2 3.47Å; F183-W299 VanDerWaalsContact CE2-CH2 3.47Å; F183-W299 HydrophobicContact CE2-CZ2 4.02Å; F183-W299 AromaticContact CE2-CZ3 3.72Å; F183-W299 HydrophobicContact CE2-CZ3 3.72Å; F183-W299 AromaticContact CZ-CH2 3.71Å; F183-W299 HydrophobicContact CZ-CH2 3.71Å; F183-W299 HydrophobicContact CZ-CZ3 4Å; C296-W299 WeakPolarHBondContact O-CB 3.26Å; C296-W299 PolarHBondContact O-N 3.29Å; M297-W299 PolarHBondContact O-N 3.4Å; W299-G302 WeakPolarHBondContact O-CA 3.3Å; W299-G302 PolarHBondContact O-N 2.83Å; W299-G302 VanDerWaalsContact O-N 3.08Å; W299-E303 PolarHBondContact O-N 3.07Å
300	M	90.4	Very high	90.5	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.02	11%	0.106	C	C	.	.	H	α-helix	trans	-67.6	-35.4	174.2	-30.2	-47.9	-51.2	0	0	112.4	M297 G302 E303 I304 V607 L608 N611 I662	M297-M300 PolarHBondContact O-N 2.7Å; M297-M300 VanDerWaalsContact O-N 3.15Å; M300-G302 PolarHBondContact O-N 3.49Å; M300-E303 VanDerWaalsContact CE-OE2 3.24Å; M300-E303 WeakPolarHBondContact CE-OE2 3.48Å; M300-E303 WeakPolarHBondContact O-CB 3.25Å; M300-E303 PolarHBondContact O-N 3.05Å; M300-I304 WeakPolarHBondContact O-CB 3.34Å; M300-I304 WeakPolarHBondContact O-CD1 3.47Å; M300-I304 VanDerWaalsContact O-CG1 3.24Å; M300-I304 WeakPolarHBondContact O-CG1 3.25Å; M300-I304 PolarHBondContact O-N 3.43Å; M300-V607 HydrophobicContact CE-CG1 3.46Å; M300-V607 VanDerWaalsContact CE-CG1 3.46Å; M300-L608 HydrophobicContact CB-CD2 4.38Å; M300-N611 HydrophobicContact CG-CB 4.17Å; M300-N611 WeakPolarHBondContact CG-ND2 3.4Å; M300-N611 PolarHBondContact SD-ND2 2.88Å; M300-N611 VanDerWaalsContact SD-ND2 3.39Å; M300-I662 HydrophobicContact CE-CD1 4Å; M300-I662 HydrophobicContact CE-CG2 3.98Å; M300-I662 HydrophobicContact SD-CG2 4.1Å
301	I	92.4	Very high	90.7	Very high	69 Å²	69	23 Å²	23	35%	0.354	11%	0.105	S	C	.	.	H	α-helix	trans	-63.3	-33.3	172.8	-65.9	166.8	0	0	0	109.8	M176 M297 F298 Y305	M176-I301 HydrophobicContact CG-CG2 4.34Å; M176-I301 HydrophobicContact SD-CG2 3.82Å; M297-I301 WeakPolarHBondContact O-CG1 3.47Å; M297-I301 PolarHBondContact O-N 3.23Å; F298-I301 HydrophobicContact CD1-CD1 4.4Å; F298-I301 PolarHBondContact O-N 2.82Å; I301-Y305 VanDerWaalsContact O-CB 3.23Å; I301-Y305 WeakPolarHBondContact O-CB 3.47Å; I301-Y305 PolarHBondContact O-N 2.99Å
302	G	93.5	Very high	90.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-47.7	170.8	0	0	0	0	0	113.2	M176 V180 F298 W299 M300 I304 Y305 A306	M176-G302 WeakPolarHBondContact O-CA 3.35Å; V180-G302 VanDerWaalsContact CG2-O 3.24Å; V180-G302 WeakPolarHBondContact CG2-O 3.23Å; F298-G302 PolarHBondContact O-N 2.89Å; W299-G302 WeakPolarHBondContact O-CA 3.3Å; W299-G302 PolarHBondContact O-N 2.83Å; W299-G302 VanDerWaalsContact O-N 3.08Å; M300-G302 PolarHBondContact O-N 3.49Å; G302-I304 VanDerWaalsContact C-N 3.33Å; G302-I304 PolarHBondContact O-N 3.26Å; G302-Y305 PolarHBondContact O-N 3.09Å; G302-A306 WeakPolarHBondContact O-CB 3.36Å; G302-A306 PolarHBondContact O-N 3.35Å
303	E	90.2	Very high	90.4	Very high	13 Å²	13	25 Å²	25	6%	0.061	12%	0.122	C	C	.	.	H	α-helix	trans	-54	-48.1	173.4	179.9	-179.4	169.8	0	0	111.9	F183 W299 M300 A306 S307 T604	F183-E303 HydrophobicContact CD1-CG 4.36Å; F183-E303 HydrophobicContact CD2-CB 3.61Å; F183-E303 HydrophobicContact CD2-CG 3.62Å; F183-E303 HydrophobicContact CE1-CG 4.18Å; F183-E303 HydrophobicContact CE2-CB 3.52Å; F183-E303 HydrophobicContact CE2-CG 3.44Å; F183-E303 VanDerWaalsContact CE2-CG 3.44Å; F183-E303 HydrophobicContact CG-CB 4.48Å; F183-E303 HydrophobicContact CG-CG 4.1Å; F183-E303 HydrophobicContact CZ-CB 4.29Å; F183-E303 HydrophobicContact CZ-CG 3.73Å; W299-E303 PolarHBondContact O-N 3.07Å; M300-E303 VanDerWaalsContact CE-OE2 3.24Å; M300-E303 WeakPolarHBondContact CE-OE2 3.48Å; M300-E303 WeakPolarHBondContact O-CB 3.25Å; M300-E303 PolarHBondContact O-N 3.05Å; E303-A306 PolarHBondContact O-N 3.01Å; E303-S307 PolarHBondContact O-N 3.41Å; E303-S307 PolarHBondContact O-OG 3.43Å; E303-T604 HydrophobicContact CG-CG2 3.67Å; E303-T604 WeakPolarHBondContact OE1-CG2 3.5Å
304	I	92.3	Very high	89.9	Confident	24 Å²	24	25.3 Å²	25.3	12%	0.123	12%	0.124	C	C	.	.	H	α-helix	trans	-72.5	-32.9	-178.6	-63.5	163.6	0	0	0	111.5	M300 G302 S307 A308 F601 L605 L608	M300-I304 WeakPolarHBondContact O-CB 3.34Å; M300-I304 WeakPolarHBondContact O-CD1 3.47Å; M300-I304 VanDerWaalsContact O-CG1 3.24Å; M300-I304 WeakPolarHBondContact O-CG1 3.25Å; M300-I304 PolarHBondContact O-N 3.43Å; G302-I304 VanDerWaalsContact C-N 3.33Å; G302-I304 PolarHBondContact O-N 3.26Å; I304-S307 PolarHBondContact O-OG 3.16Å; I304-A308 WeakPolarHBondContact O-CB 3.48Å; I304-A308 PolarHBondContact O-N 2.98Å; I304-F601 HydrophobicContact CG2-CE2 4.06Å; I304-L605 HydrophobicContact CD1-CD2 4.39Å; I304-L605 HydrophobicContact CG2-CD2 4.13Å; I304-L608 HydrophobicContact CD1-CD1 3.68Å; I304-L608 HydrophobicContact CD1-CD2 3.57Å; I304-L608 HydrophobicContact CD1-CG 3.46Å; I304-L608 VanDerWaalsContact CD1-CG 3.46Å
305	Y	93.8	Very high	89	Confident	64 Å²	64	23.1 Å²	23.1	25%	0.251	12%	0.117	S	C	.	.	H	α-helix	trans	-65	-45.3	170.8	178.7	-97.2	0	0	0	111	V180 I301 G302 A308 M309 V338 P342	V180-Y305 HydrophobicContact CG2-CD1 3.72Å; I301-Y305 VanDerWaalsContact O-CB 3.23Å; I301-Y305 WeakPolarHBondContact O-CB 3.47Å; I301-Y305 PolarHBondContact O-N 2.99Å; G302-Y305 PolarHBondContact O-N 3.09Å; Y305-A308 PolarHBondContact O-N 2.84Å; Y305-M309 HydrophobicContact CD1-CG 4.21Å; Y305-M309 HydrophobicContact CD2-CG 4.15Å; Y305-M309 HydrophobicContact CE1-CG 3.89Å; Y305-M309 HydrophobicContact CE2-CG 3.81Å; Y305-M309 HydrophobicContact CE2-SD 4.16Å; Y305-M309 HydrophobicContact CG-CG 4.35Å; Y305-M309 WeakPolarHBondContact O-CB 3.37Å; Y305-M309 VanDerWaalsContact O-CG 3.24Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.19Å; Y305-V338 WeakPolarHBondContact OH-CG1 3.38Å; Y305-V338 PolarHBondContact OH-O 3.28Å; Y305-P342 HydrophobicContact CD1-CG 4.14Å; Y305-P342 HydrophobicContact CE1-CG 3.74Å
306	A	92.1	Very high	87.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-46.2	176.9	0	0	0	0	0	111.9	V180 F183 F187 G302 E303 M309 A310 F335	V180-A306 HydrophobicContact CG2-CB 4.42Å; F183-A306 HydrophobicContact CB-CB 4.21Å; F187-A306 HydrophobicContact CE2-CB 4.3Å; G302-A306 WeakPolarHBondContact O-CB 3.36Å; G302-A306 PolarHBondContact O-N 3.35Å; E303-A306 PolarHBondContact O-N 3.01Å; A306-M309 PolarHBondContact O-N 3.3Å; A306-A310 VanDerWaalsContact O-CB 3.25Å; A306-A310 WeakPolarHBondContact O-CB 3.34Å; A306-A310 PolarHBondContact O-N 3.38Å; A306-F335 WeakPolarHBondContact O-CE2 3.5Å
307	S	90.4	Very high	86.3	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-67.7	-38.8	178.8	69.6	0	0	0	0	112.6	E303 I304 A310 W311 T604	E303-S307 PolarHBondContact O-N 3.41Å; E303-S307 PolarHBondContact O-OG 3.43Å; I304-S307 PolarHBondContact O-OG 3.16Å; S307-A310 PolarHBondContact O-N 2.92Å; S307-W311 WeakPolarHBondContact O-CB 3.25Å; S307-W311 PolarHBondContact O-N 2.86Å; S307-T604 PolarHBondContact OG-OG1 3.18Å
308	A	91.3	Very high	84.5	Confident	20 Å²	20	31.7 Å²	31.7	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-42.3	175	0	0	0	0	0	112.8	I304 Y305 A312 F601	I304-A308 WeakPolarHBondContact O-CB 3.48Å; I304-A308 PolarHBondContact O-N 2.98Å; Y305-A308 PolarHBondContact O-N 2.84Å; A308-A312 VanDerWaalsContact O-CB 3.24Å; A308-A312 WeakPolarHBondContact O-CB 3.4Å; A308-A312 PolarHBondContact O-N 3.25Å; A308-F601 HydrophobicContact CB-CD2 3.94Å; A308-F601 HydrophobicContact CB-CE2 3.81Å
309	M	90.4	Very high	82.6	Confident	50 Å²	50	37.3 Å²	37.3	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-70.8	-34	176.6	-67.4	-58.4	95.3	0	0	111.7	Y305 A306 A312 I313 F335 V338	Y305-M309 HydrophobicContact CD1-CG 4.21Å; Y305-M309 HydrophobicContact CD2-CG 4.15Å; Y305-M309 HydrophobicContact CE1-CG 3.89Å; Y305-M309 HydrophobicContact CE2-CG 3.81Å; Y305-M309 HydrophobicContact CE2-SD 4.16Å; Y305-M309 HydrophobicContact CG-CG 4.35Å; Y305-M309 WeakPolarHBondContact O-CB 3.37Å; Y305-M309 VanDerWaalsContact O-CG 3.24Å; Y305-M309 WeakPolarHBondContact O-CG 3.49Å; Y305-M309 PolarHBondContact O-N 3.19Å; A306-M309 PolarHBondContact O-N 3.3Å; M309-A312 PolarHBondContact O-N 3.23Å; M309-I313 HydrophobicContact CB-CD1 4.38Å; M309-I313 VanDerWaalsContact O-CB 3.31Å; M309-I313 WeakPolarHBondContact O-CB 3.22Å; M309-I313 WeakPolarHBondContact O-CG1 3.34Å; M309-I313 PolarHBondContact O-N 2.99Å; M309-F335 HydrophobicContact CB-CD2 3.95Å; M309-F335 HydrophobicContact CB-CE2 3.84Å; M309-V338 HydrophobicContact CG-CG1 4.02Å; M309-V338 HydrophobicContact SD-CG1 3.92Å
310	A	87.1	Confident	80.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-49.7	173.3	0	0	0	0	0	110.6	F187 A306 S307 A312 I313 I314 P315 F335 Y597	F187-A310 HydrophobicContact CB-CB 3.94Å; F187-A310 HydrophobicContact CD1-CB 4.12Å; F187-A310 HydrophobicContact CD2-CB 4.02Å; F187-A310 HydrophobicContact CG-CB 3.76Å; A306-A310 VanDerWaalsContact O-CB 3.25Å; A306-A310 WeakPolarHBondContact O-CB 3.34Å; A306-A310 PolarHBondContact O-N 3.38Å; S307-A310 PolarHBondContact O-N 2.92Å; A310-A312 PolarHBondContact O-N 3.03Å; A310-I313 PolarHBondContact O-N 2.79Å; A310-I314 HydrophobicContact CB-CD1 3.96Å; A310-I314 WeakPolarHBondContact O-CB 3.46Å; A310-I314 WeakPolarHBondContact O-CG1 3.27Å; A310-I314 PolarHBondContact O-N 3.35Å; A310-P315 VanDerWaalsContact O-CD 3.3Å; A310-P315 WeakPolarHBondContact O-CD 3.3Å; A310-F335 HydrophobicContact CB-CD2 4.33Å; A310-F335 HydrophobicContact CB-CE1 4.48Å; A310-F335 HydrophobicContact CB-CE2 3.72Å; A310-F335 HydrophobicContact CB-CZ 3.81Å; A310-Y597 HydrophobicContact CB-CD1 3.87Å; A310-Y597 HydrophobicContact CB-CE1 4.16Å
311	W	86.7	Confident	79.4	Confident	66 Å²	66	45.5 Å²	45.5	25%	0.25	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-37.6	175.3	170.3	61.9	0	0	0	113.5	S307 P315 Y594 F598	S307-W311 WeakPolarHBondContact O-CB 3.25Å; S307-W311 PolarHBondContact O-N 2.86Å; W311-P315 VanDerWaalsContact O-CD 3.25Å; W311-P315 WeakPolarHBondContact O-CD 3.43Å; W311-P315 WeakPolarHBondContact O-CG 3.31Å; W311-Y594 AromaticContact CE2-CE2 3.9Å; W311-Y594 HydrophobicContact CZ2-CE2 4.19Å; W311-Y594 WeakPolarHBondContact CZ2-OH 3.25Å; W311-Y594 AromaticContact NE1-CD2 3.64Å; W311-Y594 AromaticContact NE1-CE2 3.15Å; W311-Y594 AromaticContact NE1-CZ 3.38Å; W311-F598 HydrophobicContact CD2-CD2 4.41Å; W311-F598 AromaticContact CE2-CD2 3.81Å; W311-F598 HydrophobicContact CZ2-CD2 4.01Å; W311-F598 HydrophobicContact CZ2-CE2 4.39Å; W311-F598 AromaticContact NE1-CD2 3.81Å
312	A	85.6	Confident	77.6	Confident	45 Å²	45	46 Å²	46	37%	0.372	25%	0.25	S	S	.	.	H	α-helix	trans	-77.8	-25.7	-179.1	0	0	0	0	0	114.5	A308 M309 A310 H316	A308-A312 VanDerWaalsContact O-CB 3.24Å; A308-A312 WeakPolarHBondContact O-CB 3.4Å; A308-A312 PolarHBondContact O-N 3.25Å; M309-A312 PolarHBondContact O-N 3.23Å; A310-A312 PolarHBondContact O-N 3.03Å; A312-H316 PolarHBondContact O-CD2 2.69Å
313	I	84.9	Confident	75.6	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-111	-46.3	-171.6	-59.3	171.2	0	0	0	112.3	M309 A310 H316 W319 S331 V334 F335 V338	M309-I313 HydrophobicContact CB-CD1 4.38Å; M309-I313 VanDerWaalsContact O-CB 3.31Å; M309-I313 WeakPolarHBondContact O-CB 3.22Å; M309-I313 WeakPolarHBondContact O-CG1 3.34Å; M309-I313 PolarHBondContact O-N 2.99Å; A310-I313 PolarHBondContact O-N 2.79Å; I313-H316 PolarHBondContact O-N 3.22Å; I313-W319 HydrophobicContact CG1-CZ3 4.24Å; I313-W319 HydrophobicContact CG2-CE3 4.42Å; I313-S331 WeakPolarHBondContact CG2-O 3.3Å; I313-V334 HydrophobicContact CG2-CB 4.11Å; I313-V334 HydrophobicContact CG2-CG1 4.3Å; I313-F335 HydrophobicContact CB-CB 4.34Å; I313-F335 HydrophobicContact CD1-CB 4.46Å; I313-F335 HydrophobicContact CG2-CB 4.1Å; I313-V338 HydrophobicContact CD1-CB 4.02Å; I313-V338 HydrophobicContact CD1-CG1 4.15Å; I313-V338 HydrophobicContact CD1-CG2 3.84Å
314	I	78.3	Confident	73.9	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.026	31%	0.312	C	S	.	.	S	Bend	trans	-69.5	-43.8	-168.8	-54.8	174.7	0	0	0	112.6	F187 A310 H316 Y317 F335 Y597	F187-I314 HydrophobicContact CB-CD1 4.39Å; A310-I314 HydrophobicContact CB-CD1 3.96Å; A310-I314 WeakPolarHBondContact O-CB 3.46Å; A310-I314 WeakPolarHBondContact O-CG1 3.27Å; A310-I314 PolarHBondContact O-N 3.35Å; I314-H316 VanDerWaalsContact C-N 3.33Å; I314-H316 PolarHBondContact O-N 3.4Å; I314-Y317 WeakPolarHBondContact O-CD2 3.49Å; I314-Y317 WeakPolarHBondContact O-CE2 3.38Å; I314-F335 HydrophobicContact CD1-CB 4.5Å; I314-F335 HydrophobicContact CD1-CD1 3.89Å; I314-F335 HydrophobicContact CD1-CE1 4.27Å; I314-F335 HydrophobicContact CD1-CG 4.11Å; I314-F335 HydrophobicContact CG1-CB 4.13Å; I314-F335 HydrophobicContact CG1-CD1 4.43Å; I314-F335 HydrophobicContact CG1-CG 4.21Å; I314-Y597 HydrophobicContact CB-CE2 4.2Å; I314-Y597 HydrophobicContact CD1-CE1 3.87Å; I314-Y597 HydrophobicContact CG2-CE2 3.9Å
315	P	71.1	Confident	72	Confident	13 Å²	13	61 Å²	61	8%	0.084	35%	0.351	C	S	.	.	S	Bend	trans	-69.7	-25.3	175.4	-19.5	33	0	0	0	114.2	A310 W311 Y317 Y594 Y597	A310-P315 VanDerWaalsContact O-CD 3.3Å; A310-P315 WeakPolarHBondContact O-CD 3.3Å; W311-P315 VanDerWaalsContact O-CD 3.25Å; W311-P315 WeakPolarHBondContact O-CD 3.43Å; W311-P315 WeakPolarHBondContact O-CG 3.31Å; P315-Y317 PolarHBondContact O-N 3.28Å; P315-Y317 VanDerWaalsContact O-N 3.17Å; P315-Y594 HydrophobicContact CB-CD2 4.3Å; P315-Y597 HydrophobicContact CG-CD2 3.95Å
316	H	69.3	Low	70.2	Confident	105 Å²	105	61.3 Å²	61.3	49%	0.486	37%	0.366	S	S	.	.			trans	-93.7	72.9	-170.2	-71.6	-53.7	0	0	0	111.9	A312 I313 I314 G318 Y594	A312-H316 PolarHBondContact O-CD2 2.69Å; I313-H316 PolarHBondContact O-N 3.22Å; I314-H316 VanDerWaalsContact C-N 3.33Å; I314-H316 PolarHBondContact O-N 3.4Å; H316-G318 PolarHBondContact O-N 3.27Å; H316-Y594 AromaticContact NE2-CE2 3.98Å
317	Y	56.1	Low	68.9	Low	40 Å²	40	68 Å²	68	16%	0.157	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-61.9	-2	-170.4	-101.8	-84.2	0	0	0	118	I314 P315 W319 S320 S331 F587	I314-Y317 WeakPolarHBondContact O-CD2 3.49Å; I314-Y317 WeakPolarHBondContact O-CE2 3.38Å; P315-Y317 PolarHBondContact O-N 3.28Å; P315-Y317 VanDerWaalsContact O-N 3.17Å; Y317-W319 PolarHBondContact O-N 3.37Å; Y317-S320 PolarHBondContact O-N 3.28Å; Y317-S320 PolarHBondContact O-OG 3.26Å; Y317-S331 VanDerWaalsContact CD1-OG 3.25Å; Y317-S331 WeakPolarHBondContact CD1-OG 3.31Å; Y317-S331 VanDerWaalsContact CE1-OG 3.24Å; Y317-S331 WeakPolarHBondContact CE1-OG 3.47Å; Y317-F587 HydrophobicContact CD1-CD1 4.13Å; Y317-F587 AromaticContact CD1-CE1 3.69Å; Y317-F587 HydrophobicContact CD1-CE1 3.69Å; Y317-F587 HydrophobicContact CD1-CE2 4.11Å; Y317-F587 AromaticContact CD1-CZ 3.66Å; Y317-F587 HydrophobicContact CD1-CZ 3.66Å; Y317-F587 AromaticContact CD2-CD1 3.73Å; Y317-F587 HydrophobicContact CD2-CD1 3.73Å; Y317-F587 AromaticContact CD2-CE1 3.83Å; Y317-F587 HydrophobicContact CD2-CE1 3.83Å; Y317-F587 HydrophobicContact CD2-CG 4.48Å; Y317-F587 HydrophobicContact CE1-CD1 4.17Å; Y317-F587 AromaticContact CE1-CE1 3.34Å; Y317-F587 HydrophobicContact CE1-CE1 3.34Å; Y317-F587 HydrophobicContact CE1-CE2 4.23Å; Y317-F587 AromaticContact CE1-CZ 3.35Å; Y317-F587 HydrophobicContact CE1-CZ 3.35Å; Y317-F587 AromaticContact CE2-CD1 3.77Å; Y317-F587 HydrophobicContact CE2-CD1 3.77Å; Y317-F587 AromaticContact CE2-CE1 3.48Å; Y317-F587 HydrophobicContact CE2-CE1 3.48Å; Y317-F587 VanDerWaalsContact CE2-CE1 3.48Å; Y317-F587 HydrophobicContact CE2-CZ 4.36Å; Y317-F587 AromaticContact CG-CD1 3.93Å; Y317-F587 HydrophobicContact CG-CD1 3.93Å; Y317-F587 AromaticContact CG-CE1 3.94Å; Y317-F587 HydrophobicContact CG-CE1 3.94Å; Y317-F587 HydrophobicContact CG-CG 4.32Å; Y317-F587 HydrophobicContact CG-CZ 4.3Å; Y317-F587 AromaticContact CZ-CE1 3.23Å; Y317-F587 AromaticContact CZ-CZ 3.76Å
318	G	51.7	Low	67.7	Low	77 Å²	77	73.5 Å²	73.5	79%	0.794	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-67.2	0.8	176	0	0	0	0	0	115.7	H316	H316-G318 PolarHBondContact O-N 3.27Å
319	W	53.3	Low	66.9	Low	142 Å²	142	74.9 Å²	74.9	54%	0.538	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-106.5	10.3	177.5	-74.8	8.1	0	0	0	113.9	I313 Y317 F321 V334	I313-W319 HydrophobicContact CG1-CZ3 4.24Å; I313-W319 HydrophobicContact CG2-CE3 4.42Å; Y317-W319 PolarHBondContact O-N 3.37Å; W319-F321 WeakPolarHBondContact O-CD2 3.43Å; W319-F321 PolarHBondContact O-N 3.06Å; W319-V334 HydrophobicContact CE3-CG1 4.09Å; W319-V334 HydrophobicContact CZ3-CG1 4.48Å
320	S	56.8	Low	66.3	Low	64 Å²	64	73.5 Å²	73.5	45%	0.448	41%	0.413	S	S	.	.			trans	-74	111.9	174	59	0	0	0	0	111.4	Y317 F329	Y317-S320 PolarHBondContact O-N 3.28Å; Y317-S320 PolarHBondContact O-OG 3.26Å; S320-F329 WeakPolarHBondContact CA-O 3.48Å
321	F	59.2	Low	66	Low	152 Å²	152	73.5 Å²	73.5	67%	0.667	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.1	177	-69.5	-85	0	0	0	110.5	W319 F329	W319-F321 WeakPolarHBondContact O-CD2 3.43Å; W319-F321 PolarHBondContact O-N 3.06Å; F321-F329 PolarHBondContact N-O 3.16Å; F321-F329 WeakPolarHBondContact O-CB 3.46Å; F321-F329 PolarHBondContact O-N 3.39Å
322	S	55.5	Low	65.8	Low	78 Å²	78	70.4 Å²	70.4	55%	0.545	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.6	173.6	-173.1	0	0	0	0	109.8	G324 Y327	S322-G324 PolarHBondContact OG-O 2.82Å; S322-Y327 WeakPolarHBondContact CA-O 3.41Å
323	M	50.7	Low	65.9	Low	167 Å²	167	68.7 Å²	68.7	82%	0.823	39%	0.385	S	S	*	.			trans	-106.9	76.7	-177.8	-160.5	164.7	-160.7	0	0	110.6	Y327	M323-Y327 PolarHBondContact N-O 2.89Å
324	G	55.6	Low	66	Low	52 Å²	52	69.5 Å²	69.5	54%	0.536	39%	0.391	S	S	.	.	S	Bend	trans	81.9	-174.3	-172	0	0	0	0	0	112.6	S322 A326	S322-G324 PolarHBondContact OG-O 2.82Å; G324-A326 VanDerWaalsContact C-N 3.28Å; G324-A326 PolarHBondContact O-N 3.42Å
325	S	53.2	Low	66.6	Low	135 Å²	135	69.2 Å²	69.2	94%	0.944	39%	0.389	S	S	*	.	S	Bend	trans	-76.3	-4.7	-170.7	49.1	0	0	0	0	115.8
326	A	55.7	Low	67.5	Low	69 Å²	69	68.7 Å²	68.7	57%	0.57	39%	0.386	S	S	*	.	S	Bend	trans	-121.8	-10.8	-172.5	0	0	0	0	0	115.2	Q252 G324	Q252-A326 PolarHBondContact NE2-O 3.47Å; G324-A326 VanDerWaalsContact C-N 3.28Å; G324-A326 PolarHBondContact O-N 3.42Å
327	Y	63.8	Low	68.5	Low	141 Å²	141	65.6 Å²	65.6	55%	0.553	37%	0.374	S	S	*	.			trans	-124.9	98.1	-177.4	-72.8	-77.3	0	0	0	111.1	S322 M323	S322-Y327 WeakPolarHBondContact CA-O 3.41Å; M323-Y327 PolarHBondContact N-O 2.89Å
328	Q	66.3	Low	70.2	Confident	117 Å²	117	65.1 Å²	65.1	55%	0.547	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.4	168.4	-59	-159.4	20.3	0	0	110	H330	Q328-H330 WeakPolarHBondContact CB-NE2 3.08Å; Q328-H330 PolarHBondContact OE1-CE1 3.19Å
329	F	73.8	Confident	72.1	Confident	48 Å²	48	61.6 Å²	61.6	21%	0.211	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	88.6	178.5	-156.9	-97.9	0	0	0	109.6	F250 S320 F321 R333 V334 V337	F250-F329 HydrophobicContact CD1-CE2 4.12Å; F250-F329 HydrophobicContact CE1-CE2 4.13Å; S320-F329 WeakPolarHBondContact CA-O 3.48Å; F321-F329 PolarHBondContact N-O 3.16Å; F321-F329 WeakPolarHBondContact O-CB 3.46Å; F321-F329 PolarHBondContact O-N 3.39Å; F329-R333 HydrophobicContact CD1-CB 4.12Å; F329-R333 HydrophobicContact CD2-CB 4.16Å; F329-R333 HydrophobicContact CE1-CB 3.75Å; F329-R333 HydrophobicContact CE2-CB 3.79Å; F329-R333 HydrophobicContact CG-CB 4.33Å; F329-R333 HydrophobicContact CZ-CB 3.58Å; F329-V334 HydrophobicContact CD1-CG2 3.73Å; F329-V334 HydrophobicContact CE1-CB 4.36Å; F329-V334 HydrophobicContact CE1-CG2 3.64Å; F329-V337 HydrophobicContact CZ-CG2 4.37Å
330	H	77.6	Confident	73.9	Confident	22 Å²	22	55.3 Å²	55.3	10%	0.102	32%	0.317	C	S	.	.			trans	-69.4	154.4	-178.8	-63.1	-76.8	0	0	0	112.6	D195 Q328 W332 R333	D195-H330 IonicContact OD1-CD2 3.61Å; D195-H330 PolarHBondContact OD1-CD2 3.23Å; D195-H330 IonicContact OD1-NE2 3.64Å; Q328-H330 WeakPolarHBondContact CB-NE2 3.08Å; Q328-H330 PolarHBondContact OE1-CE1 3.19Å; H330-W332 PolarHBondContact O-N 3.25Å; H330-R333 WeakPolarHBondContact O-CB 3.22Å; H330-R333 PolarHBondContact O-N 3.4Å
331	S	81.2	Confident	75.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-53.6	-33.6	-172.5	-43.5	0	0	0	0	114.1	I313 Y317 R333 V334 F335	I313-S331 WeakPolarHBondContact CG2-O 3.3Å; Y317-S331 VanDerWaalsContact CD1-OG 3.25Å; Y317-S331 WeakPolarHBondContact CD1-OG 3.31Å; Y317-S331 VanDerWaalsContact CE1-OG 3.24Å; Y317-S331 WeakPolarHBondContact CE1-OG 3.47Å; S331-R333 VanDerWaalsContact C-N 3.25Å; S331-R333 PolarHBondContact O-N 3.06Å; S331-V334 WeakPolarHBondContact O-CB 3.45Å; S331-V334 PolarHBondContact O-N 2.86Å; S331-F335 PolarHBondContact O-N 2.52Å
332	W	82.9	Confident	77.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-28.6	177.2	74.2	-103.6	0	0	0	113	V188 A192 D195 M196 F257 H330 F335 V336	V188-W332 HydrophobicContact CG1-CD2 4.27Å; V188-W332 HydrophobicContact CG1-CE3 3.53Å; V188-W332 HydrophobicContact CG1-CZ3 3.72Å; V188-W332 HydrophobicContact CG2-CE3 4.39Å; A192-W332 HydrophobicContact CB-CH2 4.12Å; A192-W332 HydrophobicContact CB-CZ2 4.01Å; D195-W332 HydrophobicContact CB-CZ2 4.4Å; D195-W332 VanDerWaalsContact OD2-CZ2 3.23Å; D195-W332 WeakPolarHBondContact OD2-CZ2 3.22Å; D195-W332 PolarHBondContact OD2-NE1 3.28Å; M196-W332 HydrophobicContact CE-CH2 4Å; M196-W332 HydrophobicContact CE-CZ2 4.1Å; F257-W332 AromaticContact CE2-CH2 3.99Å; F257-W332 HydrophobicContact CE2-CH2 3.99Å; F257-W332 AromaticContact CE2-CZ3 3.88Å; F257-W332 HydrophobicContact CE2-CZ3 3.88Å; F257-W332 HydrophobicContact CZ-CH2 4.21Å; F257-W332 HydrophobicContact CZ-CZ3 4.04Å; H330-W332 PolarHBondContact O-N 3.25Å; W332-F335 WeakPolarHBondContact O-CB 3.38Å; W332-F335 PolarHBondContact O-N 3.09Å; W332-V336 HydrophobicContact CE3-CG2 4.32Å; W332-V336 WeakPolarHBondContact O-CG2 3.36Å; W332-V336 PolarHBondContact O-N 3.08Å
333	R	87.2	Confident	79	Confident	9 Å²	9	46.1 Å²	46.1	3%	0.034	26%	0.263	C	S	.	.	H	α-helix	trans	-73.3	-36.4	175.7	-59.4	174.7	178.1	-87.7	-0.9	111.1	D195 S249 V251 F329 H330 S331 V336 V337	D195-R333 IonicContact OD2-CZ 3.72Å; D195-R333 IonicContact OD2-NE 3.7Å; D195-R333 PolarHBondContact OD2-NE 3.39Å; D195-R333 IonicContact OD2-NH2 3.3Å; D195-R333 PolarHBondContact OD2-NH2 3.45Å; S249-R333 WeakPolarHBondContact O-CD 3.38Å; S249-R333 PolarHBondContact O-NH1 2.83Å; V251-R333 PolarHBondContact O-NH1 3.11Å; F329-R333 HydrophobicContact CD1-CB 4.12Å; F329-R333 HydrophobicContact CD2-CB 4.16Å; F329-R333 HydrophobicContact CE1-CB 3.75Å; F329-R333 HydrophobicContact CE2-CB 3.79Å; F329-R333 HydrophobicContact CG-CB 4.33Å; F329-R333 HydrophobicContact CZ-CB 3.58Å; H330-R333 WeakPolarHBondContact O-CB 3.22Å; H330-R333 PolarHBondContact O-N 3.4Å; S331-R333 VanDerWaalsContact C-N 3.25Å; S331-R333 PolarHBondContact O-N 3.06Å; R333-V336 PolarHBondContact O-N 2.95Å; R333-V337 PolarHBondContact O-N 3.15Å
334	V	87.1	Confident	81.1	Confident	23 Å²	23	42.1 Å²	42.1	14%	0.139	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-44.8	171.3	-172.7	0	0	0	0	110.6	I313 W319 F329 S331 V336 V337 V338	I313-V334 HydrophobicContact CG2-CB 4.11Å; I313-V334 HydrophobicContact CG2-CG1 4.3Å; W319-V334 HydrophobicContact CE3-CG1 4.09Å; W319-V334 HydrophobicContact CZ3-CG1 4.48Å; F329-V334 HydrophobicContact CD1-CG2 3.73Å; F329-V334 HydrophobicContact CE1-CB 4.36Å; F329-V334 HydrophobicContact CE1-CG2 3.64Å; S331-V334 WeakPolarHBondContact O-CB 3.45Å; S331-V334 PolarHBondContact O-N 2.86Å; V334-V336 VanDerWaalsContact C-N 3.35Å; V334-V336 PolarHBondContact O-N 2.97Å; V334-V337 PolarHBondContact O-N 3.25Å; V334-V337 VanDerWaalsContact O-N 3.16Å; V334-V338 WeakPolarHBondContact O-CG2 3.17Å; V334-V338 PolarHBondContact O-N 2.84Å
335	F	89.7	Confident	82.9	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.8	-45.9	176.1	166.9	-110.6	0	0	0	112.2	V184 F187 V188 A306 M309 A310 I313 I314 S331 W332 V337 V338 C339	V184-F335 HydrophobicContact CB-CE1 4.29Å; V184-F335 HydrophobicContact CG1-CE1 4.05Å; V184-F335 HydrophobicContact CG2-CE1 3.97Å; V184-F335 HydrophobicContact CG2-CZ 3.8Å; F187-F335 HydrophobicContact CB-CE1 3.93Å; F187-F335 HydrophobicContact CB-CZ 4.11Å; F187-F335 HydrophobicContact CD2-CZ 4.24Å; V188-F335 HydrophobicContact CG2-CD1 3.76Å; V188-F335 HydrophobicContact CG2-CE1 3.87Å; A306-F335 WeakPolarHBondContact O-CE2 3.5Å; M309-F335 HydrophobicContact CB-CD2 3.95Å; M309-F335 HydrophobicContact CB-CE2 3.84Å; A310-F335 HydrophobicContact CB-CD2 4.33Å; A310-F335 HydrophobicContact CB-CE1 4.48Å; A310-F335 HydrophobicContact CB-CE2 3.72Å; A310-F335 HydrophobicContact CB-CZ 3.81Å; I313-F335 HydrophobicContact CB-CB 4.34Å; I313-F335 HydrophobicContact CD1-CB 4.46Å; I313-F335 HydrophobicContact CG2-CB 4.1Å; I314-F335 HydrophobicContact CD1-CB 4.5Å; I314-F335 HydrophobicContact CD1-CD1 3.89Å; I314-F335 HydrophobicContact CD1-CE1 4.27Å; I314-F335 HydrophobicContact CD1-CG 4.11Å; I314-F335 HydrophobicContact CG1-CB 4.13Å; I314-F335 HydrophobicContact CG1-CD1 4.43Å; I314-F335 HydrophobicContact CG1-CG 4.21Å; S331-F335 PolarHBondContact O-N 2.52Å; W332-F335 WeakPolarHBondContact O-CB 3.38Å; W332-F335 PolarHBondContact O-N 3.09Å; F335-V337 VanDerWaalsContact C-N 3.34Å; F335-V337 PolarHBondContact O-N 3.43Å; F335-V338 PolarHBondContact O-N 3.02Å; F335-C339 WeakPolarHBondContact CE2-SG 3.28Å; F335-C339 WeakPolarHBondContact O-CB 3.41Å; F335-C339 PolarHBondContact O-N 2.79Å; F335-C339 PolarHBondContact O-SG 2.74Å
336	V	90.3	Very high	84.8	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-40.9	176.3	174.8	0	0	0	0	112.4	V184 V188 W332 R333 V334 C339 A340	V184-V336 HydrophobicContact CG1-CG2 4.22Å; V188-V336 HydrophobicContact CG2-CG2 3.61Å; W332-V336 HydrophobicContact CE3-CG2 4.32Å; W332-V336 WeakPolarHBondContact O-CG2 3.36Å; W332-V336 PolarHBondContact O-N 3.08Å; R333-V336 PolarHBondContact O-N 2.95Å; V334-V336 VanDerWaalsContact C-N 3.35Å; V334-V336 PolarHBondContact O-N 2.97Å; V336-C339 PolarHBondContact O-N 2.7Å; V336-A340 PolarHBondContact O-N 3.16Å
337	V	91.3	Very high	86.7	Confident	40 Å²	40	34.7 Å²	34.7	24%	0.242	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-42.2	176.8	175.7	0	0	0	0	111.7	F246 S249 F329 R333 V334 F335 C339 A340	F246-V337 HydrophobicContact CD2-CG1 4.24Å; F246-V337 HydrophobicContact CD2-CG2 4.34Å; F246-V337 HydrophobicContact CE2-CG1 4.11Å; F246-V337 HydrophobicContact CE2-CG2 4.42Å; S249-V337 VanDerWaalsContact OG-CG2 3.27Å; S249-V337 WeakPolarHBondContact OG-CG2 3.36Å; F329-V337 HydrophobicContact CZ-CG2 4.37Å; R333-V337 PolarHBondContact O-N 3.15Å; V334-V337 PolarHBondContact O-N 3.25Å; V334-V337 VanDerWaalsContact O-N 3.16Å; F335-V337 VanDerWaalsContact C-N 3.34Å; F335-V337 PolarHBondContact O-N 3.43Å; V337-C339 VanDerWaalsContact C-N 3.31Å; V337-C339 PolarHBondContact O-N 3.16Å; V337-A340 WeakPolarHBondContact O-CB 3.38Å; V337-A340 PolarHBondContact O-N 3.49Å
338	V	92	Very high	88.2	Confident	30 Å²	30	31.7 Å²	31.7	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-40.3	176.4	171.7	0	0	0	0	111	Y305 M309 I313 V334 F335 A340 L341	Y305-V338 WeakPolarHBondContact OH-CG1 3.38Å; Y305-V338 PolarHBondContact OH-O 3.28Å; M309-V338 HydrophobicContact CG-CG1 4.02Å; M309-V338 HydrophobicContact SD-CG1 3.92Å; I313-V338 HydrophobicContact CD1-CB 4.02Å; I313-V338 HydrophobicContact CD1-CG1 4.15Å; I313-V338 HydrophobicContact CD1-CG2 3.84Å; V334-V338 WeakPolarHBondContact O-CG2 3.17Å; V334-V338 PolarHBondContact O-N 2.84Å; F335-V338 PolarHBondContact O-N 3.02Å; V338-A340 PolarHBondContact O-N 3.2Å; V338-L341 HydrophobicContact CG1-CD1 4.41Å; V338-L341 VanDerWaalsContact O-CB 3.3Å; V338-L341 WeakPolarHBondContact O-CB 3.26Å; V338-L341 VanDerWaalsContact O-CG 3.31Å; V338-L341 WeakPolarHBondContact O-CG 3.34Å; V338-L341 PolarHBondContact O-N 3.27Å; V338-L341 VanDerWaalsContact O-N 3.09Å
339	C	90.7	Very high	89.5	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-16.3	176.3	-76	0	0	0	0	114.9	V180 V184 F335 V336 V337 L341 P342	V180-C339 HydrophobicContact CG1-CB 3.48Å; V180-C339 VanDerWaalsContact CG1-CB 3.48Å; V180-C339 WeakPolarHBondContact CG1-O 3.3Å; V184-C339 HydrophobicContact CG2-CB 3.52Å; V184-C339 WeakPolarHBondContact CG2-SG 3.46Å; F335-C339 WeakPolarHBondContact CE2-SG 3.28Å; F335-C339 WeakPolarHBondContact O-CB 3.41Å; F335-C339 PolarHBondContact O-N 2.79Å; F335-C339 PolarHBondContact O-SG 2.74Å; V336-C339 PolarHBondContact O-N 2.7Å; V337-C339 VanDerWaalsContact C-N 3.31Å; V337-C339 PolarHBondContact O-N 3.16Å; C339-L341 VanDerWaalsContact C-N 3.34Å; C339-P342 WeakPolarHBondContact O-CD 3.31Å
340	A	91.4	Very high	90.5	Very high	9 Å²	9	24.9 Å²	24.9	7%	0.074	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.2	170.9	0	0	0	0	0	113.4	V336 V337 V338 C343 V344	V336-A340 PolarHBondContact O-N 3.16Å; V337-A340 WeakPolarHBondContact O-CB 3.38Å; V337-A340 PolarHBondContact O-N 3.49Å; V338-A340 PolarHBondContact O-N 3.2Å; A340-C343 VanDerWaalsContact O-CB 3.27Å; A340-C343 WeakPolarHBondContact O-CB 3.23Å; A340-C343 PolarHBondContact O-N 3.04Å; A340-C343 VanDerWaalsContact O-N 3.08Å; A340-V344 PolarHBondContact O-N 2.68Å; A340-V344 VanDerWaalsContact O-N 3.15Å
341	L	91.6	Very high	91.2	Very high	92 Å²	92	26.9 Å²	26.9	48%	0.482	16%	0.164	S	C	.	.	H	α-helix	trans	-61.5	-43.7	-176.5	-61.6	172.8	0	0	0	113.8	V338 C339 C343 V344 C345	V338-L341 HydrophobicContact CG1-CD1 4.41Å; V338-L341 VanDerWaalsContact O-CB 3.3Å; V338-L341 WeakPolarHBondContact O-CB 3.26Å; V338-L341 VanDerWaalsContact O-CG 3.31Å; V338-L341 WeakPolarHBondContact O-CG 3.34Å; V338-L341 PolarHBondContact O-N 3.27Å; V338-L341 VanDerWaalsContact O-N 3.09Å; C339-L341 VanDerWaalsContact C-N 3.34Å; L341-C343 PolarHBondContact O-N 3.26Å; L341-V344 PolarHBondContact O-N 3.11Å; L341-C345 PolarHBondContact O-N 3.4Å; L341-C345 PolarHBondContact O-SG 3.38Å; L341-C345 VanDerWaalsContact O-SG 3.37Å
342	P	93.4	Very high	91.7	Very high	7 Å²	7	34.6 Å²	34.6	5%	0.045	20%	0.198	C	C	.	.	H	α-helix	trans	-51.2	-41.1	169.5	-30.9	37.8	0	0	0	113.9	M176 V180 Y305 C339 C345 A346	M176-P342 HydrophobicContact CE-CB 3.73Å; M176-P342 HydrophobicContact CE-CG 3.95Å; V180-P342 HydrophobicContact CG2-CG 4.46Å; Y305-P342 HydrophobicContact CD1-CG 4.14Å; Y305-P342 HydrophobicContact CE1-CG 3.74Å; C339-P342 WeakPolarHBondContact O-CD 3.31Å; P342-C345 PolarHBondContact O-N 3.04Å; P342-A346 WeakPolarHBondContact O-CB 3.29Å; P342-A346 PolarHBondContact O-N 3.27Å
343	C	93.9	Very high	92.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-47.4	-179.9	-159.4	0	0	0	0	111.4	S177 M238 A340 L341 C345 A346 V347	S177-C343 WeakPolarHBondContact OG-CA 3.49Å; S177-C343 WeakPolarHBondContact OG-CB 3.42Å; S177-C343 PolarHBondContact OG-SG 3.37Å; M238-C343 PolarHBondContact O-SG 2.99Å; M238-C343 VanDerWaalsContact O-SG 3.38Å; A340-C343 VanDerWaalsContact O-CB 3.27Å; A340-C343 WeakPolarHBondContact O-CB 3.23Å; A340-C343 PolarHBondContact O-N 3.04Å; A340-C343 VanDerWaalsContact O-N 3.08Å; L341-C343 PolarHBondContact O-N 3.26Å; C343-C345 PolarHBondContact O-N 3.11Å; C343-A346 PolarHBondContact O-N 3.08Å; C343-V347 WeakPolarHBondContact O-CG2 3.46Å; C343-V347 PolarHBondContact O-N 3.45Å
344	V	93.7	Very high	92.4	Very high	83 Å²	83	36.1 Å²	36.1	50%	0.503	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-44	177.5	178.5	0	0	0	0	111	A340 L341 A346 V347 V348	A340-V344 PolarHBondContact O-N 2.68Å; A340-V344 VanDerWaalsContact O-N 3.15Å; L341-V344 PolarHBondContact O-N 3.11Å; V344-A346 PolarHBondContact O-N 2.75Å; V344-V347 PolarHBondContact O-N 3.15Å; V344-V348 WeakPolarHBondContact O-CG2 3.33Å; V344-V348 PolarHBondContact O-N 3.49Å
345	C	93.9	Very high	92.6	Very high	71 Å²	71	35.1 Å²	35.1	48%	0.48	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-42.2	175.2	-70.2	0	0	0	0	112.4	L341 P342 C343 A349	L341-C345 PolarHBondContact O-N 3.4Å; L341-C345 PolarHBondContact O-SG 3.38Å; L341-C345 VanDerWaalsContact O-SG 3.37Å; P342-C345 PolarHBondContact O-N 3.04Å; C343-C345 PolarHBondContact O-N 3.11Å; C345-A349 VanDerWaalsContact O-CB 3.29Å; C345-A349 WeakPolarHBondContact O-CB 3.42Å; C345-A349 PolarHBondContact O-N 3.43Å
346	A	94.3	Very high	92.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-45	176.6	0	0	0	0	0	112.2	L173 A174 P342 C343 V344 A349 L350	L173-A346 HydrophobicContact CB-CB 4.06Å; A174-A346 HydrophobicContact CB-CB 4.37Å; P342-A346 WeakPolarHBondContact O-CB 3.29Å; P342-A346 PolarHBondContact O-N 3.27Å; C343-A346 PolarHBondContact O-N 3.08Å; V344-A346 PolarHBondContact O-N 2.75Å; A346-A349 PolarHBondContact O-N 3.37Å; A346-L350 WeakPolarHBondContact O-CB 3.21Å; A346-L350 VanDerWaalsContact O-CG 3.25Å; A346-L350 WeakPolarHBondContact O-CG 3.23Å; A346-L350 PolarHBondContact O-N 3.47Å
347	V	95.3	Very high	92.5	Very high	30 Å²	30	35.1 Å²	35.1	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-49.6	176.7	170.4	0	0	0	0	110.8	M238 C343 V344 A349 L350 T351	M238-V347 HydrophobicContact CB-CG2 3.6Å; C343-V347 WeakPolarHBondContact O-CG2 3.46Å; C343-V347 PolarHBondContact O-N 3.45Å; V344-V347 PolarHBondContact O-N 3.15Å; V347-A349 PolarHBondContact O-N 3.08Å; V347-L350 PolarHBondContact O-N 3.23Å; V347-T351 WeakPolarHBondContact O-CG2 3.32Å; V347-T351 PolarHBondContact O-N 2.77Å
348	V	95.3	Very high	92.2	Very high	78 Å²	78	33.5 Å²	33.5	47%	0.473	19%	0.191	S	C	.	.	H	α-helix	trans	-58.8	-47	177	171.4	0	0	0	0	111	V344 L350 T351 F352	V344-V348 WeakPolarHBondContact O-CG2 3.33Å; V344-V348 PolarHBondContact O-N 3.49Å; V348-L350 PolarHBondContact O-N 3.44Å; V348-T351 WeakPolarHBondContact O-CB 3.42Å; V348-T351 PolarHBondContact O-N 2.79Å; V348-T351 PolarHBondContact O-OG1 3.14Å; V348-F352 HydrophobicContact CG1-CE2 4.04Å; V348-F352 VanDerWaalsContact O-CD2 3.27Å; V348-F352 WeakPolarHBondContact O-CD2 3.18Å
349	A	94.1	Very high	91.9	Very high	21 Å²	21	33.3 Å²	33.3	17%	0.174	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-38.7	179.3	0	0	0	0	0	113	V170 C345 A346 V347 T351 F352	V170-A349 HydrophobicContact CB-CB 4.4Å; V170-A349 HydrophobicContact CG1-CB 3.82Å; V170-A349 HydrophobicContact CG2-CB 3.95Å; C345-A349 VanDerWaalsContact O-CB 3.29Å; C345-A349 WeakPolarHBondContact O-CB 3.42Å; C345-A349 PolarHBondContact O-N 3.43Å; A346-A349 PolarHBondContact O-N 3.37Å; V347-A349 PolarHBondContact O-N 3.08Å; A349-T351 VanDerWaalsContact C-N 3.25Å; A349-T351 PolarHBondContact O-N 3.24Å; A349-F352 PolarHBondContact O-N 3.13Å
350	L	93.6	Very high	91.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-23.9	176	-75.7	166.1	0	0	0	113.6	V170 L171 R231 L234 A346 V347 V348 F352	V170-L350 HydrophobicContact CG1-CD2 3.74Å; V170-L350 HydrophobicContact CG1-CG 3.85Å; L171-L350 HydrophobicContact CD2-CD2 4.04Å; R231-L350 PolarHBondContact NE-O 3.43Å; L234-L350 HydrophobicContact CD2-CD1 3.81Å; L234-L350 HydrophobicContact CD2-CD2 3.78Å; L234-L350 HydrophobicContact CD2-CG 4.47Å; L234-L350 HydrophobicContact CG-CD1 3.78Å; A346-L350 WeakPolarHBondContact O-CB 3.21Å; A346-L350 VanDerWaalsContact O-CG 3.25Å; A346-L350 WeakPolarHBondContact O-CG 3.23Å; A346-L350 PolarHBondContact O-N 3.47Å; V347-L350 PolarHBondContact O-N 3.23Å; V348-L350 PolarHBondContact O-N 3.44Å; L350-F352 VanDerWaalsContact C-N 3.25Å; L350-F352 PolarHBondContact O-N 3.38Å
351	T	92.8	Very high	91.3	Very high	64 Å²	64	34.1 Å²	34.1	39%	0.393	19%	0.188	S	C	.	.	H	α-helix	trans	-62.4	-32.5	173.4	69.7	0	0	0	0	112.8	R231 L235 V347 V348 A349	R231-T351 PolarHBondContact NH2-O 2.9Å; L235-T351 HydrophobicContact CD1-CG2 4.28Å; V347-T351 WeakPolarHBondContact O-CG2 3.32Å; V347-T351 PolarHBondContact O-N 2.77Å; V348-T351 WeakPolarHBondContact O-CB 3.42Å; V348-T351 PolarHBondContact O-N 2.79Å; V348-T351 PolarHBondContact O-OG1 3.14Å; A349-T351 VanDerWaalsContact C-N 3.25Å; A349-T351 PolarHBondContact O-N 3.24Å
352	F	91.3	Very high	90.6	Very high	163 Å²	163	31.2 Å²	31.2	72%	0.715	17%	0.172	S	C	*	.	H	α-helix	trans	-87.2	-17.6	-174.8	-63.9	-74.2	0	0	0	114.5	V348 A349 L350	V348-F352 HydrophobicContact CG1-CE2 4.04Å; V348-F352 VanDerWaalsContact O-CD2 3.27Å; V348-F352 WeakPolarHBondContact O-CD2 3.18Å; A349-F352 PolarHBondContact O-N 3.13Å; L350-F352 VanDerWaalsContact C-N 3.25Å; L350-F352 PolarHBondContact O-N 3.38Å
353	M	91.5	Very high	89.9	Confident	20 Å²	20	33.3 Å²	33.3	10%	0.099	19%	0.185	C	C	.	.	S	Bend	trans	-80.9	151.9	179	-54.9	-50.4	-85.7	0	0	110.8	Q166 L167 V170 R231	Q166-M353 HydrophobicContact CB-CE 4.05Å; L167-M353 HydrophobicContact CB-CE 3.94Å; L167-M353 HydrophobicContact CD1-CE 4.02Å; V170-M353 HydrophobicContact CB-CG 4.24Å; V170-M353 HydrophobicContact CG1-CG 3.97Å; V170-M353 HydrophobicContact CG2-CE 4.38Å; V170-M353 HydrophobicContact CG2-CG 4.02Å; V170-M353 HydrophobicContact CG2-SD 4.01Å; R231-M353 WeakPolarHBondContact CD-O 3.43Å; R231-M353 PolarHBondContact NE-O 2.97Å; R231-M353 PolarHBondContact NH2-O 3.26Å
354	P	92.4	Very high	89.1	Confident	20 Å²	20	34.8 Å²	34.8	13%	0.13	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-73.8	171.7	170.1	32.1	-35.1	0	0	0	111.6	F163 R231 F278 I372	F163-P354 HydrophobicContact CE2-CG 3.99Å; F163-P354 HydrophobicContact CZ-CG 3.57Å; R231-P354 VanDerWaalsContact CD-O 3.29Å; R231-P354 WeakPolarHBondContact CD-O 3.38Å; F278-P354 WeakPolarHBondContact CZ-O 3.45Å; P354-I372 HydrophobicContact CB-CD1 3.88Å; P354-I372 HydrophobicContact CB-CG1 3.95Å; P354-I372 HydrophobicContact CB-CG2 4.13Å; P354-I372 HydrophobicContact CG-CG2 4.13Å
355	E	91.4	Very high	88.6	Confident	3 Å²	3	35 Å²	35	1%	0.014	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-76.4	167.3	167.5	-176.3	56.5	-90.1	0	0	110.4	G229 R230 R231 H232 Y359 Y360	G229-E355 WeakPolarHBondContact CA-OE2 3.41Å; R230-E355 WeakPolarHBondContact CA-OE1 3.47Å; R230-E355 PolarHBondContact N-OE1 3.18Å; R230-E355 PolarHBondContact N-OE2 2.85Å; R231-E355 WeakPolarHBondContact CB-OE2 3.42Å; R231-E355 PolarHBondContact N-OE1 2.65Å; R231-E355 PolarHBondContact N-OE2 3.05Å; R231-E355 VanDerWaalsContact N-OE2 3.16Å; H232-E355 IonicContact CE1-OE2 3.57Å; H232-E355 IonicContact CG-OE2 3.65Å; H232-E355 PolarHBondContact N-OE2 3.03Å; H232-E355 VanDerWaalsContact N-OE2 3.14Å; H232-E355 IonicContact ND1-OE2 2.68Å; H232-E355 PolarHBondContact ND1-OE2 2.8Å; E355-Y359 HydrophobicContact CG-CD1 3.67Å; E355-Y359 HydrophobicContact CG-CE1 4.12Å; E355-Y360 HydrophobicContact CB-CE2 3.81Å; E355-Y360 HydrophobicContact CG-CE1 4.29Å; E355-Y360 HydrophobicContact CG-CE2 4.13Å
356	S	90.3	Very high	88	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-61.4	127.6	175.9	177	0	0	0	0	112	E281 R358 Y359 Y360	E281-S356 WeakPolarHBondContact OE2-CB 3.27Å; E281-S356 PolarHBondContact OE2-OG 3.16Å; S356-R358 VanDerWaalsContact C-N 3.29Å; S356-R358 PolarHBondContact O-N 2.89Å; S356-R358 PolarHBondContact OG-N 2.68Å; S356-Y359 PolarHBondContact O-N 3.44Å; S356-Y360 PolarHBondContact O-N 3.32Å
357	P	88.1	Confident	87.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-32.1	175.1	24.7	-30.8	0	0	0	112.1	Y360 L361 I372 L373 I376	P357-Y360 PolarHBondContact O-N 3.46Å; P357-L361 WeakPolarHBondContact O-CG 3.35Å; P357-L361 PolarHBondContact O-N 2.99Å; P357-I372 HydrophobicContact CB-CB 4.16Å; P357-I372 HydrophobicContact CB-CG2 3.85Å; P357-I372 HydrophobicContact CG-CG2 3.99Å; P357-L373 HydrophobicContact CB-CD2 4.05Å; P357-L373 HydrophobicContact CB-CG 3.86Å; P357-L373 HydrophobicContact CG-CD2 4.11Å; P357-L373 HydrophobicContact CG-CG 4.44Å; P357-I376 HydrophobicContact CG-CD1 4.04Å
358	R	84.6	Confident	87.1	Confident	6 Å²	6	41.2 Å²	41.2	2%	0.023	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-38.1	178.7	-172.4	155	173.2	162.7	-3.5	112.3	A148 Y151 S356 Y360 L361 E362 T678 L740 M741	A148-R358 VanDerWaalsContact CB-NH2 3.32Å; Y151-R358 HydrophobicContact CD2-CB 4.44Å; Y151-R358 HydrophobicContact CE1-CB 4.33Å; Y151-R358 HydrophobicContact CE2-CB 3.83Å; Y151-R358 HydrophobicContact CE2-CG 4.41Å; S356-R358 VanDerWaalsContact C-N 3.29Å; S356-R358 PolarHBondContact O-N 2.89Å; S356-R358 PolarHBondContact OG-N 2.68Å; R358-Y360 VanDerWaalsContact C-N 3.3Å; R358-Y360 PolarHBondContact O-N 2.63Å; R358-L361 PolarHBondContact O-N 2.95Å; R358-E362 HydrophobicContact CG-CG 4.46Å; R358-E362 IonicContact NE-OE1 2.65Å; R358-E362 WeakPolarHBondContact O-CG 3.37Å; R358-E362 PolarHBondContact O-N 3.41Å; R358-T678 HydrophobicContact CG-CG2 3.95Å; R358-T678 PolarHBondContact NE-OG1 3.49Å; R358-T678 PolarHBondContact NH2-OG1 2.63Å; R358-L740 VanDerWaalsContact CZ-O 3.29Å; R358-L740 PolarHBondContact NH1-O 3.14Å; R358-L740 PolarHBondContact NH2-O 3.08Å; R358-M741 PolarHBondContact NH2-O 2.97Å; R358-M741 PolarHBondContact NH2-OXT 3.24Å
359	Y	85.6	Confident	86.7	Confident	25 Å²	25	37.5 Å²	37.5	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-56.1	-43.6	171.4	167.2	-114.1	0	0	0	112	K227 V228 G229 R230 E355 S356 L361 E362 V363	K227-Y359 PolarHBondContact O-OH 3.27Å; V228-Y359 PolarHBondContact O-OH 3.43Å; G229-Y359 VanDerWaalsContact CA-CE1 3.44Å; G229-Y359 VanDerWaalsContact CA-CZ 3.45Å; G229-Y359 VanDerWaalsContact N-CZ 3.29Å; G229-Y359 PolarHBondContact N-OH 3.47Å; R230-Y359 VanDerWaalsContact NH1-CD2 3.28Å; E355-Y359 HydrophobicContact CG-CD1 3.67Å; E355-Y359 HydrophobicContact CG-CE1 4.12Å; S356-Y359 PolarHBondContact O-N 3.44Å; Y359-L361 PolarHBondContact O-N 2.92Å; Y359-E362 PolarHBondContact O-N 2.99Å; Y359-V363 HydrophobicContact CD2-CG2 3.78Å; Y359-V363 HydrophobicContact CE2-CG2 3.4Å; Y359-V363 WeakPolarHBondContact O-CB 3.44Å; Y359-V363 WeakPolarHBondContact O-CG2 3.36Å; Y359-V363 PolarHBondContact O-N 3.07Å
360	Y	86.3	Confident	86.3	Confident	29 Å²	29	39.9 Å²	39.9	11%	0.114	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-33.1	178.2	-71.8	-39.8	0	0	0	113.6	E355 S356 P357 R358 V363 G364 K365 E368 I372	E355-Y360 HydrophobicContact CB-CE2 3.81Å; E355-Y360 HydrophobicContact CG-CE1 4.29Å; E355-Y360 HydrophobicContact CG-CE2 4.13Å; S356-Y360 PolarHBondContact O-N 3.32Å; P357-Y360 PolarHBondContact O-N 3.46Å; R358-Y360 VanDerWaalsContact C-N 3.3Å; R358-Y360 PolarHBondContact O-N 2.63Å; Y360-V363 CarbonylContact O-C 3.59Å; Y360-V363 PolarHBondContact O-N 3.28Å; Y360-G364 PolarHBondContact O-N 3.16Å; Y360-G364 VanDerWaalsContact O-N 3.1Å; Y360-K365 HydrophobicContact CD1-CB 4.28Å; Y360-K365 HydrophobicContact CD1-CD 3.99Å; Y360-K365 HydrophobicContact CE1-CD 4.27Å; Y360-K365 HydrophobicContact CG-CB 4.45Å; Y360-K365 WeakPolarHBondContact O-CA 3.38Å; Y360-K365 PolarHBondContact O-N 3.29Å; Y360-E368 HydrophobicContact CD1-CB 4.43Å; Y360-E368 HydrophobicContact CD2-CB 3.74Å; Y360-E368 VanDerWaalsContact CE1-OE2 3.27Å; Y360-E368 WeakPolarHBondContact CE1-OE2 3.36Å; Y360-E368 HydrophobicContact CE2-CB 3.96Å; Y360-E368 HydrophobicContact CG-CB 3.99Å; Y360-E368 VanDerWaalsContact CZ-OE2 3.28Å; Y360-I372 HydrophobicContact CD2-CD1 3.81Å; Y360-I372 HydrophobicContact CE2-CD1 3.55Å
361	L	83.5	Confident	86.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.3	-39.2	172.4	-62.3	172.5	0	0	0	111.9	L147 Y151 P357 R358 Y359 G364 L373 I396	L147-L361 HydrophobicContact CD1-CB 4.35Å; L147-L361 HydrophobicContact CD1-CD1 4.28Å; L147-L361 HydrophobicContact CD2-CB 4.28Å; Y151-L361 HydrophobicContact CD2-CD1 3.83Å; Y151-L361 HydrophobicContact CE2-CD1 4.2Å; P357-L361 WeakPolarHBondContact O-CG 3.35Å; P357-L361 PolarHBondContact O-N 2.99Å; R358-L361 PolarHBondContact O-N 2.95Å; Y359-L361 PolarHBondContact O-N 2.92Å; L361-G364 PolarHBondContact O-N 3.02Å; L361-G364 VanDerWaalsContact O-N 3.15Å; L361-L373 HydrophobicContact CD1-CD1 4.21Å; L361-I396 HydrophobicContact CD1-CD1 4.11Å; L361-I396 HydrophobicContact CD1-CG2 4.32Å; L361-I396 HydrophobicContact CD2-CB 4.46Å; L361-I396 HydrophobicContact CD2-CD1 3.9Å; L361-I396 HydrophobicContact CD2-CG2 4.07Å
362	E	77.4	Confident	86	Confident	31 Å²	31	43 Å²	43	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-36.3	173.3	-70.3	169.7	170.1	0	0	112.5	R230 R358 Y359 G364 T678 V679	R230-E362 IonicContact CZ-OE2 2.64Å; R230-E362 IonicContact NH1-OE2 2.9Å; R230-E362 IonicContact NH2-OE2 3.7Å; R230-E362 PolarHBondContact NH2-OE2 2.83Å; R358-E362 HydrophobicContact CG-CG 4.46Å; R358-E362 IonicContact NE-OE1 2.65Å; R358-E362 WeakPolarHBondContact O-CG 3.37Å; R358-E362 PolarHBondContact O-N 3.41Å; Y359-E362 PolarHBondContact O-N 2.99Å; E362-G364 PolarHBondContact O-N 3.49Å; E362-T678 WeakPolarHBondContact OE1-CB 3.45Å; E362-T678 WeakPolarHBondContact OE1-CG2 3.35Å; E362-V679 HydrophobicContact CG-CG2 4.02Å; E362-V679 PolarHBondContact OE1-N 3.03Å
363	V	78.3	Confident	85.9	Confident	52 Å²	52	35.2 Å²	35.2	32%	0.315	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	2.6	175.4	179.4	0	0	0	0	112.3	Y359 Y360 K365 Q401	Y359-V363 HydrophobicContact CD2-CG2 3.78Å; Y359-V363 HydrophobicContact CE2-CG2 3.4Å; Y359-V363 WeakPolarHBondContact O-CB 3.44Å; Y359-V363 WeakPolarHBondContact O-CG2 3.36Å; Y359-V363 PolarHBondContact O-N 3.07Å; Y360-V363 CarbonylContact O-C 3.59Å; Y360-V363 PolarHBondContact O-N 3.28Å; V363-K365 HydrophobicContact CG1-CG 4.3Å; V363-K365 PolarHBondContact O-N 3.33Å; V363-Q401 PolarHBondContact O-NE2 3.3Å
364	G	76.7	Confident	85.8	Confident	32 Å²	32	38.1 Å²	38.1	33%	0.33	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	7.5	177.9	0	0	0	0	0	115.3	Y360 L361 E362 H366	Y360-G364 PolarHBondContact O-N 3.16Å; Y360-G364 VanDerWaalsContact O-N 3.1Å; L361-G364 PolarHBondContact O-N 3.02Å; L361-G364 VanDerWaalsContact O-N 3.15Å; E362-G364 PolarHBondContact O-N 3.49Å; G364-H366 VanDerWaalsContact C-N 3.29Å; G364-H366 PolarHBondContact O-N 3.14Å
365	K	83.1	Confident	85.7	Confident	87 Å²	87	41.6 Å²	41.6	38%	0.378	20%	0.204	S	C	.	.			trans	-79.4	73.8	174.5	-68.5	-155	-175.8	-172	0	111.4	Y360 V363 D367 E368 G369	Y360-K365 HydrophobicContact CD1-CB 4.28Å; Y360-K365 HydrophobicContact CD1-CD 3.99Å; Y360-K365 HydrophobicContact CE1-CD 4.27Å; Y360-K365 HydrophobicContact CG-CB 4.45Å; Y360-K365 WeakPolarHBondContact O-CA 3.38Å; Y360-K365 PolarHBondContact O-N 3.29Å; V363-K365 HydrophobicContact CG1-CG 4.3Å; V363-K365 PolarHBondContact O-N 3.33Å; K365-D367 VanDerWaalsContact C-N 3.35Å; K365-D367 PolarHBondContact O-N 3.05Å; K365-E368 HydrophobicContact CB-CB 4.27Å; K365-E368 HydrophobicContact CD-CB 4.37Å; K365-E368 HydrophobicContact CD-CG 4.22Å; K365-E368 WeakPolarHBondContact CD-OE1 3.16Å; K365-E368 WeakPolarHBondContact CD-OE2 3.21Å; K365-E368 IonicContact NZ-OE1 2.77Å; K365-E368 PolarHBondContact NZ-OE1 3.4Å; K365-E368 IonicContact NZ-OE2 3.14Å; K365-E368 PolarHBondContact NZ-OE2 3.47Å; K365-E368 PolarHBondContact O-N 3.45Å; K365-G369 PolarHBondContact O-N 3.35Å; K365-G369 VanDerWaalsContact O-N 3.13Å
366	H	81.3	Confident	85.6	Confident	53 Å²	53	41.4 Å²	41.4	25%	0.245	20%	0.203	C	C	.	.	H	α-helix	trans	-45.7	-54.9	-179.5	-178	-94.7	0	0	0	113.1	G364 G369 W370 I398	G364-H366 VanDerWaalsContact C-N 3.29Å; G364-H366 PolarHBondContact O-N 3.14Å; H366-G369 PolarHBondContact O-N 3Å; H366-W370 WeakPolarHBondContact O-CB 3.41Å; H366-W370 PolarHBondContact O-N 3.28Å; H366-I398 HydrophobicContact CB-CD1 3.9Å
367	D	84.4	Confident	85.5	Confident	111 Å²	111	41.6 Å²	41.6	59%	0.594	20%	0.204	S	C	*	.	H	α-helix	trans	-74.6	-36	-167.8	-54.9	-26.9	0	0	0	112.8	K365 W370 M371	K365-D367 VanDerWaalsContact C-N 3.35Å; K365-D367 PolarHBondContact O-N 3.05Å; D367-W370 PolarHBondContact O-N 2.84Å; D367-M371 WeakPolarHBondContact O-CB 3.42Å; D367-M371 WeakPolarHBondContact O-CE 3.43Å; D367-M371 VanDerWaalsContact O-CG 3.27Å; D367-M371 WeakPolarHBondContact O-CG 3.35Å; D367-M371 PolarHBondContact O-N 2.88Å
368	E	87.1	Confident	85.5	Confident	68 Å²	68	44.7 Å²	44.7	32%	0.318	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-39.8	172.8	-71	179.3	-148.9	0	0	111.2	Y360 K365 M371 I372	Y360-E368 HydrophobicContact CD1-CB 4.43Å; Y360-E368 HydrophobicContact CD2-CB 3.74Å; Y360-E368 VanDerWaalsContact CE1-OE2 3.27Å; Y360-E368 WeakPolarHBondContact CE1-OE2 3.36Å; Y360-E368 HydrophobicContact CE2-CB 3.96Å; Y360-E368 HydrophobicContact CG-CB 3.99Å; Y360-E368 VanDerWaalsContact CZ-OE2 3.28Å; K365-E368 HydrophobicContact CB-CB 4.27Å; K365-E368 HydrophobicContact CD-CB 4.37Å; K365-E368 HydrophobicContact CD-CG 4.22Å; K365-E368 WeakPolarHBondContact CD-OE1 3.16Å; K365-E368 WeakPolarHBondContact CD-OE2 3.21Å; K365-E368 IonicContact NZ-OE1 2.77Å; K365-E368 PolarHBondContact NZ-OE1 3.4Å; K365-E368 IonicContact NZ-OE2 3.14Å; K365-E368 PolarHBondContact NZ-OE2 3.47Å; K365-E368 PolarHBondContact O-N 3.45Å; E368-M371 HydrophobicContact CG-CE 4.39Å; E368-I372 WeakPolarHBondContact O-CD1 3.47Å; E368-I372 WeakPolarHBondContact O-CG1 3.49Å; E368-I372 PolarHBondContact O-N 2.96Å
369	G	86.7	Confident	85.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-47.3	174	0	0	0	0	0	112.9	K365 H366 I372 L373	K365-G369 PolarHBondContact O-N 3.35Å; K365-G369 VanDerWaalsContact O-N 3.13Å; H366-G369 PolarHBondContact O-N 3Å; G369-I372 PolarHBondContact O-N 2.9Å; G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 3.14Å
370	W	86.5	Confident	85.9	Confident	72 Å²	72	45.2 Å²	45.2	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-42	-179.6	-173.4	94.1	0	0	0	112.4	H366 D367 I372 L373 K374 F391 V393	H366-W370 WeakPolarHBondContact O-CB 3.41Å; H366-W370 PolarHBondContact O-N 3.28Å; D367-W370 PolarHBondContact O-N 2.84Å; W370-I372 VanDerWaalsContact C-N 3.28Å; W370-I372 PolarHBondContact O-N 2.92Å; W370-L373 PolarHBondContact O-N 3.5Å; W370-K374 HydrophobicContact CH2-CD 3.71Å; W370-K374 HydrophobicContact CZ2-CD 4.44Å; W370-K374 HydrophobicContact CZ3-CD 3.83Å; W370-K374 WeakPolarHBondContact O-CB 3.49Å; W370-K374 PolarHBondContact O-N 2.71Å; W370-F391 HydrophobicContact CZ2-CD1 4.28Å; W370-F391 AromaticContact NE1-CD1 3.91Å; W370-F391 AromaticContact NE1-CE1 3.59Å; W370-V393 PolarHBondContact NE1-O 3.04Å
371	M	88.9	Confident	85.8	Confident	112 Å²	112	44.2 Å²	44.2	55%	0.552	22%	0.223	S	C	*	.	H	α-helix	trans	-58.4	-39.7	175.1	-78.7	-171.3	-68	0	0	112.3	D367 E368 Q375	D367-M371 WeakPolarHBondContact O-CB 3.42Å; D367-M371 WeakPolarHBondContact O-CE 3.43Å; D367-M371 VanDerWaalsContact O-CG 3.27Å; D367-M371 WeakPolarHBondContact O-CG 3.35Å; D367-M371 PolarHBondContact O-N 2.88Å; E368-M371 HydrophobicContact CG-CE 4.39Å; M371-Q375 WeakPolarHBondContact O-CB 3.35Å; M371-Q375 PolarHBondContact O-N 3.23Å
372	I	90.4	Very high	85.9	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-74.8	-40	179.3	-68.7	165.4	0	0	0	111.3	P354 P357 Y360 E368 G369 W370 K374 Q375 I376	P354-I372 HydrophobicContact CB-CD1 3.88Å; P354-I372 HydrophobicContact CB-CG1 3.95Å; P354-I372 HydrophobicContact CB-CG2 4.13Å; P354-I372 HydrophobicContact CG-CG2 4.13Å; P357-I372 HydrophobicContact CB-CB 4.16Å; P357-I372 HydrophobicContact CB-CG2 3.85Å; P357-I372 HydrophobicContact CG-CG2 3.99Å; Y360-I372 HydrophobicContact CD2-CD1 3.81Å; Y360-I372 HydrophobicContact CE2-CD1 3.55Å; E368-I372 WeakPolarHBondContact O-CD1 3.47Å; E368-I372 WeakPolarHBondContact O-CG1 3.49Å; E368-I372 PolarHBondContact O-N 2.96Å; G369-I372 PolarHBondContact O-N 2.9Å; W370-I372 VanDerWaalsContact C-N 3.28Å; W370-I372 PolarHBondContact O-N 2.92Å; I372-K374 VanDerWaalsContact C-N 3.32Å; I372-K374 PolarHBondContact O-N 3.34Å; I372-Q375 WeakPolarHBondContact O-CB 3.27Å; I372-Q375 PolarHBondContact O-N 3.28Å; I372-Q375 VanDerWaalsContact O-N 3.15Å; I372-I376 HydrophobicContact CG2-CD1 4.01Å; I372-I376 HydrophobicContact CG2-CG1 4.48Å; I372-I376 VanDerWaalsContact O-CG1 3.27Å; I372-I376 WeakPolarHBondContact O-CG1 3.47Å; I372-I376 PolarHBondContact O-N 3.47Å
373	L	89.6	Confident	86.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-44.9	172.7	-73.3	166.8	0	0	0	111.4	Y151 I154 M155 P357 L361 G369 W370 I376 H377 F391 I396	Y151-L373 HydrophobicContact CE2-CD2 4.03Å; I154-L373 HydrophobicContact CD1-CD1 4.42Å; I154-L373 HydrophobicContact CG2-CD1 4.25Å; I154-L373 HydrophobicContact CG2-CD2 4.07Å; M155-L373 HydrophobicContact SD-CD2 3.87Å; P357-L373 HydrophobicContact CB-CD2 4.05Å; P357-L373 HydrophobicContact CB-CG 3.86Å; P357-L373 HydrophobicContact CG-CD2 4.11Å; P357-L373 HydrophobicContact CG-CG 4.44Å; L361-L373 HydrophobicContact CD1-CD1 4.21Å; G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 3.14Å; W370-L373 PolarHBondContact O-N 3.5Å; L373-I376 PolarHBondContact O-N 3.39Å; L373-H377 WeakPolarHBondContact O-CB 3.45Å; L373-H377 PolarHBondContact O-N 3.06Å; L373-F391 HydrophobicContact CB-CZ 3.97Å; L373-I396 HydrophobicContact CD1-CD1 4.01Å
374	K	88.9	Confident	86.3	Confident	81 Å²	81	59.1 Å²	59.1	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-43.9	172.4	-179.5	170.8	177.9	176	0	112.2	W370 I372 I376 H377 D378	W370-K374 HydrophobicContact CH2-CD 3.71Å; W370-K374 HydrophobicContact CZ2-CD 4.44Å; W370-K374 HydrophobicContact CZ3-CD 3.83Å; W370-K374 WeakPolarHBondContact O-CB 3.49Å; W370-K374 PolarHBondContact O-N 2.71Å; I372-K374 VanDerWaalsContact C-N 3.32Å; I372-K374 PolarHBondContact O-N 3.34Å; K374-I376 VanDerWaalsContact C-N 3.3Å; K374-I376 PolarHBondContact O-N 2.87Å; K374-H377 PolarHBondContact O-N 3.18Å; K374-D378 WeakPolarHBondContact CE-OD2 3.44Å; K374-D378 WeakPolarHBondContact CG-OD2 3.34Å; K374-D378 WeakPolarHBondContact O-CB 3.41Å; K374-D378 VanDerWaalsContact O-CG 3.23Å; K374-D378 PolarHBondContact O-N 3.38Å
375	Q	89.7	Confident	86.4	Confident	92 Å²	92	60.6 Å²	60.6	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-58.6	-40.7	176.2	-174.8	-176.2	-0	0	0	112.2	M371 I372 T379	M371-Q375 WeakPolarHBondContact O-CB 3.35Å; M371-Q375 PolarHBondContact O-N 3.23Å; I372-Q375 WeakPolarHBondContact O-CB 3.27Å; I372-Q375 PolarHBondContact O-N 3.28Å; I372-Q375 VanDerWaalsContact O-N 3.15Å; Q375-T379 WeakPolarHBondContact O-CB 3.08Å; Q375-T379 PolarHBondContact O-N 3.41Å; Q375-T379 VanDerWaalsContact O-N 3.08Å; Q375-T379 PolarHBondContact O-OG1 3.05Å
376	I	90	Very high	86.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-51.5	176.1	-65.3	164.2	0	0	0	110.1	C158 F163 V282 P357 I372 L373 K374 T379 N380	C158-I376 HydrophobicContact CB-CG2 4.28Å; F163-I376 HydrophobicContact CD1-CB 4.45Å; F163-I376 HydrophobicContact CD1-CD1 4.43Å; F163-I376 HydrophobicContact CD1-CG1 3.72Å; F163-I376 HydrophobicContact CD1-CG2 4.22Å; F163-I376 HydrophobicContact CD2-CG1 4.33Å; F163-I376 HydrophobicContact CE1-CD1 4.09Å; F163-I376 HydrophobicContact CE1-CG1 3.67Å; F163-I376 HydrophobicContact CE2-CG1 4.28Å; F163-I376 HydrophobicContact CG-CG1 4.06Å; F163-I376 HydrophobicContact CG-CG2 4.45Å; F163-I376 HydrophobicContact CZ-CG1 3.96Å; V282-I376 HydrophobicContact CG1-CD1 4.4Å; P357-I376 HydrophobicContact CG-CD1 4.04Å; I372-I376 HydrophobicContact CG2-CD1 4.01Å; I372-I376 HydrophobicContact CG2-CG1 4.48Å; I372-I376 VanDerWaalsContact O-CG1 3.27Å; I372-I376 WeakPolarHBondContact O-CG1 3.47Å; I372-I376 PolarHBondContact O-N 3.47Å; L373-I376 PolarHBondContact O-N 3.39Å; K374-I376 VanDerWaalsContact C-N 3.3Å; K374-I376 PolarHBondContact O-N 2.87Å; I376-T379 PolarHBondContact O-N 3.47Å; I376-N380 WeakPolarHBondContact O-CB 3.23Å; I376-N380 VanDerWaalsContact O-CG 3.27Å; I376-N380 PolarHBondContact O-N 3.34Å; I376-N380 PolarHBondContact O-ND2 3.32Å
377	H	89.1	Confident	85.8	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-54.6	-56.2	177.1	171	-87.2	0	0	0	111.5	C158 L373 K374 T379 N380 M381 K389 F391	C158-H377 HydrophobicContact CB-CB 4.44Å; L373-H377 WeakPolarHBondContact O-CB 3.45Å; L373-H377 PolarHBondContact O-N 3.06Å; K374-H377 PolarHBondContact O-N 3.18Å; H377-T379 VanDerWaalsContact C-N 3.33Å; H377-T379 PolarHBondContact O-N 2.93Å; H377-N380 PolarHBondContact O-N 3.2Å; H377-M381 WeakPolarHBondContact NE2-CG 3.21Å; H377-M381 WeakPolarHBondContact O-CG 3.32Å; H377-M381 PolarHBondContact O-N 3.46Å; H377-K389 PolarHBondContact CE1-O 2.03Å; H377-K389 VanDerWaalsContact CE1-O 3.31Å; H377-F391 HydrophobicContact CB-CD2 3.97Å; H377-F391 HydrophobicContact CB-CE2 4.46Å; H377-F391 AromaticContact CD2-CD2 3.97Å; H377-F391 AromaticContact CG-CD2 3.86Å
378	D	87.7	Confident	84.6	Confident	67 Å²	67	66 Å²	66	36%	0.358	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-38.1	-173.9	-66.3	-1.5	0	0	0	111.1	K374 N380 R382	K374-D378 WeakPolarHBondContact CE-OD2 3.44Å; K374-D378 WeakPolarHBondContact CG-OD2 3.34Å; K374-D378 WeakPolarHBondContact O-CB 3.41Å; K374-D378 VanDerWaalsContact O-CG 3.23Å; K374-D378 PolarHBondContact O-N 3.38Å; D378-N380 PolarHBondContact O-N 3.23Å; D378-R382 WeakPolarHBondContact O-CB 3.31Å; D378-R382 PolarHBondContact O-N 3Å
379	T	88.4	Confident	83.7	Confident	42 Å²	42	67.9 Å²	67.9	26%	0.258	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-42.7	173.3	-59.6	0	0	0	0	111.5	F163 Q375 I376 H377 A383	F163-T379 HydrophobicContact CB-CG2 4.02Å; Q375-T379 WeakPolarHBondContact O-CB 3.08Å; Q375-T379 PolarHBondContact O-N 3.41Å; Q375-T379 VanDerWaalsContact O-N 3.08Å; Q375-T379 PolarHBondContact O-OG1 3.05Å; I376-T379 PolarHBondContact O-N 3.47Å; H377-T379 VanDerWaalsContact C-N 3.33Å; H377-T379 PolarHBondContact O-N 2.93Å; T379-A383 WeakPolarHBondContact O-CB 3.36Å; T379-A383 PolarHBondContact O-N 2.92Å; T379-A383 VanDerWaalsContact O-N 3.08Å
380	N	89.1	Confident	82.8	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-74.7	-39.2	-177.9	-74.3	-14.5	0	0	0	113	C158 G159 G161 S162 F163 Q164 I376 H377 D378 A383 R384	C158-N380 PolarHBondContact O-ND2 3.27Å; G159-N380 PolarHBondContact O-ND2 2.9Å; G161-N380 WeakPolarHBondContact CA-OD1 3.38Å; S162-N380 PolarHBondContact N-OD1 3.4Å; F163-N380 PolarHBondContact N-OD1 3.41Å; F163-N380 VanDerWaalsContact N-OD1 3.09Å; Q164-N380 PolarHBondContact NE2-ND2 3.3Å; Q164-N380 PolarHBondContact OE1-ND2 3.37Å; Q164-N380 PolarHBondContact OE1-OD1 3.1Å; I376-N380 WeakPolarHBondContact O-CB 3.23Å; I376-N380 VanDerWaalsContact O-CG 3.27Å; I376-N380 PolarHBondContact O-N 3.34Å; I376-N380 PolarHBondContact O-ND2 3.32Å; H377-N380 PolarHBondContact O-N 3.2Å; D378-N380 PolarHBondContact O-N 3.23Å; N380-A383 PolarHBondContact O-N 3.4Å; N380-R384 VanDerWaalsContact O-CG 3.29Å; N380-R384 WeakPolarHBondContact O-CG 3.48Å; N380-R384 PolarHBondContact O-N 3.08Å; N380-R384 VanDerWaalsContact O-N 3.07Å
381	M	85.8	Confident	82.3	Confident	8 Å²	8	70.7 Å²	70.7	4%	0.039	36%	0.363	C	S	.	.	H	α-helix	trans	-72.6	-35.9	177.2	-64	-52.2	168.2	0	0	112	E157 H377 R384 G385 Q386 K389	E157-M381 WeakPolarHBondContact O-CE 3.24Å; H377-M381 WeakPolarHBondContact NE2-CG 3.21Å; H377-M381 WeakPolarHBondContact O-CG 3.32Å; H377-M381 PolarHBondContact O-N 3.46Å; M381-R384 CarbonylContact O-C 3.49Å; M381-R384 PolarHBondContact O-N 3.33Å; M381-G385 PolarHBondContact O-N 3.22Å; M381-G385 VanDerWaalsContact O-N 3.14Å; M381-Q386 PolarHBondContact O-N 3.22Å; M381-K389 HydrophobicContact CG-CB 4.45Å; M381-K389 HydrophobicContact SD-CD 4.05Å
382	R	85.7	Confident	81.1	Confident	203 Å²	203	69.9 Å²	69.9	77%	0.766	37%	0.365	S	S	*	.	H	α-helix	trans	-61.5	-44.2	170.1	-166.8	179.4	-146.5	157.7	6.9	111.7	D378 R384 G385	D378-R382 WeakPolarHBondContact O-CB 3.31Å; D378-R382 PolarHBondContact O-N 3Å; R382-R384 PolarHBondContact O-N 3.34Å; R382-G385 PolarHBondContact O-N 3.29Å; R382-G385 VanDerWaalsContact O-N 3.1Å
383	A	82.5	Confident	80.1	Confident	65 Å²	65	69.8 Å²	69.8	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-23.4	175.1	0	0	0	0	0	113.8	T379 N380	T379-A383 WeakPolarHBondContact O-CB 3.36Å; T379-A383 PolarHBondContact O-N 2.92Å; T379-A383 VanDerWaalsContact O-N 3.08Å; N380-A383 PolarHBondContact O-N 3.4Å
384	R	81.5	Confident	78.7	Confident	129 Å²	129	76 Å²	76	49%	0.487	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.8	173.4	-71.3	171.3	176.8	-160.6	-1.2	113.9	H160 N380 M381 R382 Q386	H160-R384 PolarHBondContact O-NH2 3.09Å; N380-R384 VanDerWaalsContact O-CG 3.29Å; N380-R384 WeakPolarHBondContact O-CG 3.48Å; N380-R384 PolarHBondContact O-N 3.08Å; N380-R384 VanDerWaalsContact O-N 3.07Å; M381-R384 CarbonylContact O-C 3.49Å; M381-R384 PolarHBondContact O-N 3.33Å; R382-R384 PolarHBondContact O-N 3.34Å; R384-Q386 VanDerWaalsContact C-N 3.33Å
385	G	78.3	Confident	77.3	Confident	62 Å²	62	82.7 Å²	82.7	64%	0.639	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	24.2	-176.3	0	0	0	0	0	114.5	M381 R382	M381-G385 PolarHBondContact O-N 3.22Å; M381-G385 VanDerWaalsContact O-N 3.14Å; R382-G385 PolarHBondContact O-N 3.29Å; R382-G385 VanDerWaalsContact O-N 3.1Å
386	Q	80.4	Confident	76.3	Confident	93 Å²	93	79 Å²	79	44%	0.435	40%	0.404	S	S	.	.			trans	-125	54	178.7	-63.7	-172.6	-15.8	0	0	112.2	M381 R384 E388 K389	M381-Q386 PolarHBondContact O-N 3.22Å; R384-Q386 VanDerWaalsContact C-N 3.33Å; Q386-E388 PolarHBondContact O-N 3.16Å; Q386-E388 VanDerWaalsContact O-N 3.12Å; Q386-K389 HydrophobicContact CB-CD 4.43Å; Q386-K389 PolarHBondContact O-N 3.31Å
387	P	71.9	Confident	75	Confident	90 Å²	90	83.7 Å²	83.7	58%	0.584	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.6	-172.8	31.7	-38.2	0	0	0	114.6	K389	P387-K389 VanDerWaalsContact C-N 3.33Å
388	E	58.7	Low	73.9	Confident	183 Å²	183	86 Å²	86	86%	0.855	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.4	-178	-61.9	174.5	171.2	0	0	113.7	Q386 V390	Q386-E388 PolarHBondContact O-N 3.16Å; Q386-E388 VanDerWaalsContact O-N 3.12Å; E388-V390 PolarHBondContact O-N 3.29Å
389	K	68.9	Low	72.7	Confident	107 Å²	107	83.4 Å²	83.4	47%	0.465	42%	0.423	S	S	.	.			trans	-66.3	123.6	174.8	-81.3	178.9	167.6	170.3	0	109.8	H377 M381 Q386 P387	H377-K389 PolarHBondContact CE1-O 2.03Å; H377-K389 VanDerWaalsContact CE1-O 3.31Å; M381-K389 HydrophobicContact CG-CB 4.45Å; M381-K389 HydrophobicContact SD-CD 4.05Å; Q386-K389 HydrophobicContact CB-CD 4.43Å; Q386-K389 PolarHBondContact O-N 3.31Å; P387-K389 VanDerWaalsContact C-N 3.33Å
390	V	67.4	Low	71.2	Confident	119 Å²	119	89.9 Å²	89.9	72%	0.721	44%	0.443	S	S	*	.			trans	-85	128.7	173.6	-176.3	0	0	0	0	108.5	E388 T392	E388-V390 PolarHBondContact O-N 3.29Å; V390-T392 WeakPolarHBondContact O-CG2 3.49Å; V390-T392 PolarHBondContact O-N 2.97Å
391	F	74.4	Confident	69.6	Low	12 Å²	12	95.9 Å²	95.9	5%	0.053	47%	0.471	C	S	.	.			trans	-62.8	115.8	170	-177.2	-113.8	0	0	0	109.3	I154 W370 L373 H377 V393	I154-F391 HydrophobicContact CG2-CE2 3.71Å; I154-F391 HydrophobicContact CG2-CZ 3.61Å; W370-F391 HydrophobicContact CZ2-CD1 4.28Å; W370-F391 AromaticContact NE1-CD1 3.91Å; W370-F391 AromaticContact NE1-CE1 3.59Å; L373-F391 HydrophobicContact CB-CZ 3.97Å; H377-F391 HydrophobicContact CB-CD2 3.97Å; H377-F391 HydrophobicContact CB-CE2 4.46Å; H377-F391 AromaticContact CD2-CD2 3.97Å; H377-F391 AromaticContact CG-CD2 3.86Å; F391-V393 VanDerWaalsContact C-N 3.34Å; F391-V393 HydrophobicContact CD1-CB 4.43Å; F391-V393 HydrophobicContact CE1-CB 3.86Å; F391-V393 HydrophobicContact CE2-CB 4.5Å; F391-V393 HydrophobicContact CE2-CG2 4.38Å; F391-V393 HydrophobicContact CZ-CB 3.91Å; F391-V393 HydrophobicContact CZ-CG2 4.23Å; F391-V393 PolarHBondContact O-N 3Å
392	T	65.3	Low	68	Low	95 Å²	95	99.1 Å²	99.1	58%	0.583	49%	0.488	S	S	*	.			trans	-84.8	-5.6	-164.8	65.2	0	0	0	0	114.8	E157 V390 N394	E157-T392 VanDerWaalsContact CD-OG1 3.27Å; E157-T392 WeakPolarHBondContact OE1-CB 3Å; E157-T392 WeakPolarHBondContact OE1-CG2 3.03Å; E157-T392 PolarHBondContact OE1-N 3.31Å; E157-T392 PolarHBondContact OE1-OG1 3.38Å; E157-T392 PolarHBondContact OE2-OG1 3.47Å; E157-T392 VanDerWaalsContact OE2-OG1 3.11Å; V390-T392 WeakPolarHBondContact O-CG2 3.49Å; V390-T392 PolarHBondContact O-N 2.97Å; T392-N394 PolarHBondContact O-N 3.4Å
393	V	68.9	Low	66.2	Low	14 Å²	14	94.9 Å²	94.9	9%	0.085	48%	0.481	C	S	.	.			trans	-91.9	103.2	-167	-176.2	0	0	0	0	111.3	I154 E157 W370 F391 I396	I154-V393 HydrophobicContact CD1-CG1 3.89Å; I154-V393 HydrophobicContact CG1-CG1 4.04Å; I154-V393 HydrophobicContact CG1-CG2 4.06Å; E157-V393 WeakPolarHBondContact OE2-CG2 3.4Å; W370-V393 PolarHBondContact NE1-O 3.04Å; F391-V393 VanDerWaalsContact C-N 3.34Å; F391-V393 HydrophobicContact CD1-CB 4.43Å; F391-V393 HydrophobicContact CE1-CB 3.86Å; F391-V393 HydrophobicContact CE2-CB 4.5Å; F391-V393 HydrophobicContact CE2-CG2 4.38Å; F391-V393 HydrophobicContact CZ-CB 3.91Å; F391-V393 HydrophobicContact CZ-CG2 4.23Å; F391-V393 PolarHBondContact O-N 3Å; V393-I396 HydrophobicContact CG1-CG1 4.11Å
394	N	60.9	Low	64.4	Low	130 Å²	130	100.3 Å²	100.3	70%	0.695	50%	0.495	S	S	*	.			trans	-101.7	-12.9	-173.1	-68.1	-26.2	0	0	0	115.3	T392	T392-N394 PolarHBondContact O-N 3.4Å
395	R	58.7	Low	62.7	Low	222 Å²	222	101.6 Å²	101.6	84%	0.838	51%	0.511	S	S	*	.			trans	-148.9	131	177.6	-71.3	-171.3	175.8	-176.5	-1.7	110.5
396	I	68.9	Low	61.2	Low	14 Å²	14	102.5 Å²	102.5	7%	0.072	50%	0.503	C	S	.	.			trans	-117.1	131.8	172.6	-59	173	0	0	0	107.7	L147 I154 L361 L373 V393	L147-I396 HydrophobicContact CD1-CG2 3.52Å; I154-I396 HydrophobicContact CD1-CD1 3.74Å; I154-I396 HydrophobicContact CD1-CG1 4Å; L361-I396 HydrophobicContact CD1-CD1 4.11Å; L361-I396 HydrophobicContact CD1-CG2 4.32Å; L361-I396 HydrophobicContact CD2-CB 4.46Å; L361-I396 HydrophobicContact CD2-CD1 3.9Å; L361-I396 HydrophobicContact CD2-CG2 4.07Å; L373-I396 HydrophobicContact CD1-CD1 4.01Å; V393-I396 HydrophobicContact CG1-CG1 4.11Å
397	K	63.3	Low	59.8	Low	99 Å²	99	104.6 Å²	104.6	43%	0.43	51%	0.513	S	S	.	.			trans	-74.6	138.9	175.1	-161	-168.4	-170.8	-164.1	0	109.3	D143 E146	D143-K397 WeakPolarHBondContact OD1-CE 3.29Å; D143-K397 IonicContact OD1-NZ 2.79Å; D143-K397 PolarHBondContact OD1-NZ 3.29Å; E146-K397 IonicContact OE1-NZ 2.81Å; E146-K397 WeakPolarHBondContact OE2-CD 3.32Å; E146-K397 WeakPolarHBondContact OE2-CE 3.34Å; E146-K397 IonicContact OE2-NZ 3.84Å; E146-K397 PolarHBondContact OE2-NZ 3.13Å
398	I	64.3	Low	58.5	Low	52 Å²	52	108.8 Å²	108.8	27%	0.267	53%	0.527	S	S	.	.			trans	-124.2	132.4	-172.6	-60.6	176.8	0	0	0	109.2	H366	H366-I398 HydrophobicContact CB-CD1 3.9Å
399	P	62.8	Low	58	Low	13 Å²	13	107.9 Å²	107.9	8%	0.084	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-65.6	136.6	174.6	27.3	-34.6	0	0	0	111.4	R140 D143 E144 L147 Q401	R140-P399 HydrophobicContact CG-CB 3.84Å; D143-P399 HydrophobicContact CB-CB 4.01Å; E144-P399 HydrophobicContact CG-CB 4.42Å; E144-P399 HydrophobicContact CG-CG 4.49Å; L147-P399 HydrophobicContact CD2-CG 4.47Å; P399-Q401 PolarHBondContact O-N 3.44Å
400	R	56.5	Low	57.1	Low	178 Å²	178	105.3 Å²	105.3	67%	0.672	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-65.8	131	177.3	-68.3	173.5	171.5	158.9	-5.3	111.4	E139	E139-R400 IonicContact OE2-NH1 2.75Å
401	Q	56.3	Low	56.4	Low	126 Å²	126	102.1 Å²	102.1	59%	0.589	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-83	146	172.7	-70.2	-178	-6.3	0	0	111.4	V363 P399	V363-Q401 PolarHBondContact O-NE2 3.3Å; P399-Q401 PolarHBondContact O-N 3.44Å
402	L	52.7	Low	55.6	Low	75 Å²	75	108.4 Å²	108.4	39%	0.393	55%	0.549	S	S	.	.			trans	-103.9	-4.3	178.2	-86.1	80.3	0	0	0	113.8	E404	L402-E404 PolarHBondContact O-N 3.04Å
403	D	47	Very low	55.6	Low	114 Å²	114	105.5 Å²	105.5	61%	0.61	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.1	-160.4	-76.6	-28.8	0	0	0	116.2	L405 V406	D403-L405 PolarHBondContact O-N 2.94Å; D403-V406 PolarHBondContact O-N 3.29Å
404	E	45.7	Very low	56.2	Low	179 Å²	179	111 Å²	111	84%	0.836	57%	0.567	S	S	*	*	H	α-helix	trans	-54.3	-27.7	174.9	-78.8	-166	127.6	0	0	113.2	L402 V406	L402-E404 PolarHBondContact O-N 3.04Å; E404-V406 PolarHBondContact O-N 3.24Å
405	L	44.4	Very low	57	Low	157 Å²	157	109.7 Å²	109.7	82%	0.822	57%	0.566	S	S	*	*	H	α-helix	trans	-66.1	-18	176.8	-89	142.2	0	0	0	114.4	D403	D403-L405 PolarHBondContact O-N 2.94Å
406	V	48.4	Very low	58	Low	80 Å²	80	103.7 Å²	103.7	49%	0.485	55%	0.553	S	S	.	*	H	α-helix	trans	-87.5	-28.5	-176.2	-176.3	0	0	0	0	112.4	D403 E404	D403-V406 PolarHBondContact O-N 3.29Å; E404-V406 PolarHBondContact O-N 3.24Å
407	E	50	Low	58.3	Low	138 Å²	138	106.3 Å²	106.3	65%	0.645	57%	0.573	S	S	*	*	H	α-helix	trans	-73.9	-30.1	-175.9	-67.5	-136	114.7	0	0	113.4	E409 S410	E407-E409 VanDerWaalsContact C-N 3.35Å; E407-E409 PolarHBondContact O-N 3.16Å; E407-S410 VanDerWaalsContact O-CB 3.23Å; E407-S410 WeakPolarHBondContact O-CB 3.2Å; E407-S410 PolarHBondContact O-N 3.42Å; E407-S410 VanDerWaalsContact O-N 3.08Å; E407-S410 PolarHBondContact O-OG 3.22Å
408	M	45.2	Very low	59	Low	177 Å²	177	105.3 Å²	105.3	87%	0.872	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-63	-32.7	-174.5	-73	-161.4	174.6	0	0	114.5	S410	M408-S410 VanDerWaalsContact C-N 3.27Å; M408-S410 PolarHBondContact O-N 3.14Å
409	E	48.6	Very low	59.6	Low	164 Å²	164	109 Å²	109	77%	0.766	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-79.1	-11	179	-155.7	174.3	-143.6	0	0	112.5	E407 G411	E407-E409 VanDerWaalsContact C-N 3.35Å; E407-E409 PolarHBondContact O-N 3.16Å; E409-G411 PolarHBondContact O-N 3.26Å; E409-G411 VanDerWaalsContact O-N 3.14Å
410	S	48.9	Very low	60.4	Low	54 Å²	54	114.8 Å²	114.8	38%	0.378	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-72.1	-7.7	-172.9	77.8	0	0	0	0	115.1	E407 M408 T412 K418	E407-S410 VanDerWaalsContact O-CB 3.23Å; E407-S410 WeakPolarHBondContact O-CB 3.2Å; E407-S410 PolarHBondContact O-N 3.42Å; E407-S410 VanDerWaalsContact O-N 3.08Å; E407-S410 PolarHBondContact O-OG 3.22Å; M408-S410 VanDerWaalsContact C-N 3.27Å; M408-S410 PolarHBondContact O-N 3.14Å; S410-T412 PolarHBondContact O-N 3.28Å; S410-K418 WeakPolarHBondContact O-CE 3.37Å; S410-K418 PolarHBondContact O-NZ 3.13Å
411	G	54	Low	61.6	Low	51 Å²	51	111.3 Å²	111.3	53%	0.526	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-61.5	-46	-169.3	0	0	0	0	0	115.2	E409 K418	E409-G411 PolarHBondContact O-N 3.26Å; E409-G411 VanDerWaalsContact O-N 3.14Å; G411-K418 PolarHBondContact O-NZ 2.95Å
412	T	56.4	Low	62.6	Low	145 Å²	145	113.1 Å²	113.1	89%	0.89	60%	0.599	S	S	*	*	S	Bend	trans	-101	-0.7	-154.1	49.7	0	0	0	0	116.7	S410	S410-T412 PolarHBondContact O-N 3.28Å
413	G	64.6	Low	63.9	Low	34 Å²	34	112.9 Å²	112.9	35%	0.351	60%	0.597	S	S	.	*	S	Bend	trans	-86.1	151.4	-176.4	0	0	0	0	0	116.3	K418	G413-K418 WeakPolarHBondContact O-CE 3.11Å
414	N	81.9	Confident	65.5	Low	128 Å²	128	115 Å²	115	68%	0.684	60%	0.601	S	S	*	*			trans	-55.1	148.2	166.5	-81.2	-18.6	0	0	0	111.6	V416 S417 K418	N414-V416 VanDerWaalsContact C-N 3.33Å; N414-V416 PolarHBondContact O-N 2.91Å; N414-S417 CarbonylContact O-C 3.57Å; N414-S417 WeakPolarHBondContact O-CA 3.48Å; N414-S417 VanDerWaalsContact O-CB 3.24Å; N414-S417 WeakPolarHBondContact O-CB 3.18Å; N414-S417 PolarHBondContact O-N 3.32Å; N414-K418 PolarHBondContact O-N 3.35Å
415	P	78	Confident	67.1	Low	103 Å²	103	108.5 Å²	108.5	67%	0.669	58%	0.578	S	S	*	*	H	α-helix	trans	-58.8	-39.4	-174.2	21.7	-33.4	0	0	0	113.6	S417 K418 F419	P415-S417 VanDerWaalsContact C-N 3.31Å; P415-S417 PolarHBondContact O-N 3.25Å; P415-K418 PolarHBondContact O-N 2.99Å; P415-F419 PolarHBondContact O-N 3.47Å
416	V	79.1	Confident	68.9	Low	96 Å²	96	104.5 Å²	104.5	58%	0.582	56%	0.555	S	S	*	*	H	α-helix	trans	-63	-38.2	173.7	178.3	0	0	0	0	111.5	N414 F419 F420	N414-V416 VanDerWaalsContact C-N 3.33Å; N414-V416 PolarHBondContact O-N 2.91Å; V416-F419 PolarHBondContact O-N 3.24Å; V416-F420 HydrophobicContact CG1-CD2 3.78Å; V416-F420 HydrophobicContact CG1-CE2 3.61Å; V416-F420 VanDerWaalsContact O-CD2 3.25Å; V416-F420 WeakPolarHBondContact O-CD2 3.09Å; V416-F420 PolarHBondContact O-N 3.02Å
417	S	76.6	Confident	70.6	Confident	70 Å²	70	105 Å²	105	49%	0.49	55%	0.553	S	S	.	*	H	α-helix	trans	-67.2	-41.8	175	-167.3	0	0	0	0	111.5	N414 P415 F419 F420 F421	N414-S417 CarbonylContact O-C 3.57Å; N414-S417 WeakPolarHBondContact O-CA 3.48Å; N414-S417 VanDerWaalsContact O-CB 3.24Å; N414-S417 WeakPolarHBondContact O-CB 3.18Å; N414-S417 PolarHBondContact O-N 3.32Å; P415-S417 VanDerWaalsContact C-N 3.31Å; P415-S417 PolarHBondContact O-N 3.25Å; S417-F419 VanDerWaalsContact C-N 3.31Å; S417-F419 PolarHBondContact O-N 3.45Å; S417-F420 PolarHBondContact O-N 2.76Å; S417-F421 VanDerWaalsContact O-CB 3.26Å; S417-F421 WeakPolarHBondContact O-CB 3.33Å; S417-F421 PolarHBondContact O-N 2.83Å
418	K	77.7	Confident	72.1	Confident	77 Å²	77	103.4 Å²	103.4	34%	0.335	55%	0.546	S	S	.	.	H	α-helix	trans	-61.2	-38.5	174.2	-58.6	-161.1	-171.1	-158.3	0	111.9	S410 G411 G413 N414 P415 R422	S410-K418 WeakPolarHBondContact O-CE 3.37Å; S410-K418 PolarHBondContact O-NZ 3.13Å; G411-K418 PolarHBondContact O-NZ 2.95Å; G413-K418 WeakPolarHBondContact O-CE 3.11Å; N414-K418 PolarHBondContact O-N 3.35Å; P415-K418 PolarHBondContact O-N 2.99Å; K418-R422 WeakPolarHBondContact O-CB 3.46Å; K418-R422 WeakPolarHBondContact O-CG 3.49Å; K418-R422 PolarHBondContact O-N 3.43Å
419	F	77.4	Confident	73.7	Confident	129 Å²	129	95.6 Å²	95.6	57%	0.566	51%	0.511	S	S	*	.	H	α-helix	trans	-65.2	-49.5	175.6	-177.3	-107.5	0	0	0	112.5	P415 V416 S417 F421 R422 I423	P415-F419 PolarHBondContact O-N 3.47Å; V416-F419 PolarHBondContact O-N 3.24Å; S417-F419 VanDerWaalsContact C-N 3.31Å; S417-F419 PolarHBondContact O-N 3.45Å; F419-F421 VanDerWaalsContact C-N 3.33Å; F419-F421 PolarHBondContact O-N 2.93Å; F419-R422 PolarHBondContact O-N 3.47Å; F419-I423 HydrophobicContact CD1-CD1 3.97Å; F419-I423 HydrophobicContact CE1-CD1 3.44Å; F419-I423 VanDerWaalsContact CE1-CD1 3.44Å; F419-I423 HydrophobicContact CE2-CD1 4.12Å; F419-I423 HydrophobicContact CZ-CD1 3.53Å; F419-I423 PolarHBondContact O-N 3.05Å
420	F	79.4	Confident	75.5	Confident	136 Å²	136	88.1 Å²	88.1	60%	0.596	48%	0.476	S	S	*	.	H	α-helix	trans	-64.2	-35.8	175.2	-78.7	-62.9	0	0	0	112.9	V416 S417 K424	V416-F420 HydrophobicContact CG1-CD2 3.78Å; V416-F420 HydrophobicContact CG1-CE2 3.61Å; V416-F420 VanDerWaalsContact O-CD2 3.25Å; V416-F420 WeakPolarHBondContact O-CD2 3.09Å; V416-F420 PolarHBondContact O-N 3.02Å; S417-F420 PolarHBondContact O-N 2.76Å; F420-K424 VanDerWaalsContact O-CB 3.27Å; F420-K424 WeakPolarHBondContact O-CB 3.42Å; F420-K424 PolarHBondContact O-N 3.17Å
421	F	80.8	Confident	77.2	Confident	104 Å²	104	91.3 Å²	91.3	46%	0.456	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-47.2	174.9	-175.2	-91.2	0	0	0	111.3	S417 F419 K424 A425	S417-F421 VanDerWaalsContact O-CB 3.26Å; S417-F421 WeakPolarHBondContact O-CB 3.33Å; S417-F421 PolarHBondContact O-N 2.83Å; F419-F421 VanDerWaalsContact C-N 3.33Å; F419-F421 PolarHBondContact O-N 2.93Å; F421-K424 PolarHBondContact O-N 3.26Å; F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.89Å
422	R	77.9	Confident	78.7	Confident	165 Å²	165	92.7 Å²	92.7	62%	0.623	48%	0.476	S	S	*	.	H	α-helix	trans	-57.2	-53	174.1	-77.6	178.7	172.6	-173	-5.5	111.4	K418 F419 K424 A425 E426	K418-R422 WeakPolarHBondContact O-CB 3.46Å; K418-R422 WeakPolarHBondContact O-CG 3.49Å; K418-R422 PolarHBondContact O-N 3.43Å; F419-R422 PolarHBondContact O-N 3.47Å; R422-K424 VanDerWaalsContact C-N 3.27Å; R422-K424 PolarHBondContact O-N 3.05Å; R422-A425 PolarHBondContact O-N 3.33Å; R422-A425 VanDerWaalsContact O-N 3.12Å; R422-E426 WeakPolarHBondContact O-CG 3.44Å; R422-E426 PolarHBondContact O-N 2.96Å
423	I	80.1	Confident	80.1	Confident	69 Å²	69	86.9 Å²	86.9	35%	0.354	44%	0.439	S	S	.	.	H	α-helix	trans	-55.2	-42.9	176.7	-72.7	176.6	0	0	0	111.9	F419 E426 I427	F419-I423 HydrophobicContact CD1-CD1 3.97Å; F419-I423 HydrophobicContact CE1-CD1 3.44Å; F419-I423 VanDerWaalsContact CE1-CD1 3.44Å; F419-I423 HydrophobicContact CE2-CD1 4.12Å; F419-I423 HydrophobicContact CZ-CD1 3.53Å; F419-I423 PolarHBondContact O-N 3.05Å; I423-E426 PolarHBondContact O-N 3.17Å; I423-I427 HydrophobicContact CG2-CD1 3.68Å; I423-I427 HydrophobicContact CG2-CG1 4.47Å; I423-I427 WeakPolarHBondContact O-CB 3.32Å; I423-I427 VanDerWaalsContact O-CG1 3.29Å; I423-I427 WeakPolarHBondContact O-CG1 3.41Å; I423-I427 PolarHBondContact O-N 2.86Å
424	K	81.3	Confident	81.2	Confident	160 Å²	160	86.1 Å²	86.1	70%	0.696	43%	0.427	S	S	*	.	H	α-helix	trans	-66.3	-41.3	178.7	-173.5	-178.1	176.5	-171.1	0	112.2	F420 F421 R422 H428	F420-K424 VanDerWaalsContact O-CB 3.27Å; F420-K424 WeakPolarHBondContact O-CB 3.42Å; F420-K424 PolarHBondContact O-N 3.17Å; F421-K424 PolarHBondContact O-N 3.26Å; R422-K424 VanDerWaalsContact C-N 3.27Å; R422-K424 PolarHBondContact O-N 3.05Å; K424-H428 VanDerWaalsContact O-CB 3.25Å; K424-H428 WeakPolarHBondContact O-CB 3.38Å; K424-H428 PolarHBondContact O-N 3.17Å
425	A	78.9	Confident	81.5	Confident	42 Å²	42	84 Å²	84	35%	0.347	41%	0.414	S	S	.	.	H	α-helix	trans	-65.1	-40.6	174.8	0	0	0	0	0	111.5	F421 R422 H428 G429	F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.89Å; R422-A425 PolarHBondContact O-N 3.33Å; R422-A425 VanDerWaalsContact O-N 3.12Å; A425-H428 PolarHBondContact O-N 3.42Å; A425-G429 PolarHBondContact O-N 2.78Å
426	E	81.9	Confident	81.8	Confident	72 Å²	72	82.4 Å²	82.4	34%	0.336	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-52.3	177.2	-65	-45	150.6	0	0	112	K227 R422 I423 H428 G429 I430	K227-E426 WeakPolarHBondContact CD-OE2 3.35Å; K227-E426 PolarHBondContact NZ-O 2.86Å; K227-E426 IonicContact NZ-OE2 3.62Å; K227-E426 PolarHBondContact NZ-OE2 3.39Å; R422-E426 WeakPolarHBondContact O-CG 3.44Å; R422-E426 PolarHBondContact O-N 2.96Å; I423-E426 PolarHBondContact O-N 3.17Å; E426-H428 VanDerWaalsContact C-N 3.27Å; E426-H428 PolarHBondContact O-N 3.1Å; E426-G429 PolarHBondContact O-N 3.25Å; E426-G429 VanDerWaalsContact O-N 3.1Å; E426-I430 WeakPolarHBondContact O-CG1 3.31Å; E426-I430 PolarHBondContact O-N 2.89Å
427	I	83	Confident	82.1	Confident	90 Å²	90	77.9 Å²	77.9	46%	0.462	37%	0.369	S	S	.	.	H	α-helix	trans	-59	-38.5	176.4	-67.9	169.7	0	0	0	111.1	I423 I430 Y431	I423-I427 HydrophobicContact CG2-CD1 3.68Å; I423-I427 HydrophobicContact CG2-CG1 4.47Å; I423-I427 WeakPolarHBondContact O-CB 3.32Å; I423-I427 VanDerWaalsContact O-CG1 3.29Å; I423-I427 WeakPolarHBondContact O-CG1 3.41Å; I423-I427 PolarHBondContact O-N 2.86Å; I427-I430 PolarHBondContact O-N 3.48Å; I427-Y431 WeakPolarHBondContact O-CB 3.4Å; I427-Y431 PolarHBondContact O-N 2.92Å
428	H	82.3	Confident	82.7	Confident	106 Å²	106	76.9 Å²	76.9	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-41.3	176	-171	58.1	0	0	0	112	K424 A425 E426 Y431 L432	K424-H428 VanDerWaalsContact O-CB 3.25Å; K424-H428 WeakPolarHBondContact O-CB 3.38Å; K424-H428 PolarHBondContact O-N 3.17Å; A425-H428 PolarHBondContact O-N 3.42Å; E426-H428 VanDerWaalsContact C-N 3.27Å; E426-H428 PolarHBondContact O-N 3.1Å; H428-Y431 WeakPolarHBondContact O-CB 3.49Å; H428-Y431 PolarHBondContact O-N 3.3Å; H428-L432 WeakPolarHBondContact O-CG 3.27Å; H428-L432 PolarHBondContact O-N 2.92Å
429	G	79.9	Confident	83.1	Confident	13 Å²	13	79.9 Å²	79.9	13%	0.134	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-38.2	173.8	0	0	0	0	0	113.6	A425 E426 Y431 L432 N433	A425-G429 PolarHBondContact O-N 2.78Å; E426-G429 PolarHBondContact O-N 3.25Å; E426-G429 VanDerWaalsContact O-N 3.1Å; G429-Y431 VanDerWaalsContact C-N 3.33Å; G429-L432 PolarHBondContact O-N 3.47Å; G429-N433 PolarHBondContact O-N 3.5Å
430	I	85.4	Confident	83	Confident	6 Å²	6	83.6 Å²	83.6	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-60.8	-44.9	172.2	-67	171.7	0	0	0	110.3	M224 K227 E426 I427 L432 N433 L434	M224-I430 HydrophobicContact CE-CD1 4.04Å; K227-I430 HydrophobicContact CD-CG1 4.35Å; E426-I430 WeakPolarHBondContact O-CG1 3.31Å; E426-I430 PolarHBondContact O-N 2.89Å; I427-I430 PolarHBondContact O-N 3.48Å; I430-L432 PolarHBondContact O-N 3.3Å; I430-N433 PolarHBondContact O-N 2.89Å; I430-L434 PolarHBondContact O-N 2.72Å
431	Y	85.3	Confident	82.9	Confident	121 Å²	121	81.1 Å²	81.1	48%	0.475	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-39.9	175	177.6	-100.7	0	0	0	112.4	I427 H428 G429 L434 M435	I427-Y431 WeakPolarHBondContact O-CB 3.4Å; I427-Y431 PolarHBondContact O-N 2.92Å; H428-Y431 WeakPolarHBondContact O-CB 3.49Å; H428-Y431 PolarHBondContact O-N 3.3Å; G429-Y431 VanDerWaalsContact C-N 3.33Å; Y431-L434 PolarHBondContact O-N 2.83Å; Y431-M435 HydrophobicContact CD1-CG 4.22Å; Y431-M435 HydrophobicContact CD2-CG 4.37Å; Y431-M435 HydrophobicContact CE1-CG 3.78Å; Y431-M435 HydrophobicContact CE2-CG 3.93Å; Y431-M435 HydrophobicContact CE2-SD 4.12Å; Y431-M435 WeakPolarHBondContact O-CB 3.13Å; Y431-M435 VanDerWaalsContact O-CG 3.27Å; Y431-M435 WeakPolarHBondContact O-CG 3.24Å; Y431-M435 PolarHBondContact O-N 3.3Å
432	L	84.9	Confident	82.9	Confident	81 Å²	81	77.9 Å²	77.9	42%	0.424	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-41.9	174.8	-72.5	171.2	0	0	0	112	H428 G429 I430 M435 K436	H428-L432 WeakPolarHBondContact O-CG 3.27Å; H428-L432 PolarHBondContact O-N 2.92Å; G429-L432 PolarHBondContact O-N 3.47Å; I430-L432 PolarHBondContact O-N 3.3Å; L432-M435 PolarHBondContact O-N 3.39Å; L432-K436 WeakPolarHBondContact O-CG 3.35Å; L432-K436 PolarHBondContact O-N 3.1Å
433	N	86	Confident	83.3	Confident	22 Å²	22	74.4 Å²	74.4	12%	0.118	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-43.7	174.4	-83.5	2.9	0	0	0	111.7	G429 I430 M435 K436 C437 T683	G429-N433 PolarHBondContact O-N 3.5Å; I430-N433 PolarHBondContact O-N 2.89Å; N433-M435 PolarHBondContact O-N 3.17Å; N433-K436 WeakPolarHBondContact O-CB 3.27Å; N433-K436 PolarHBondContact O-N 3.41Å; N433-K436 VanDerWaalsContact O-N 3.14Å; N433-C437 PolarHBondContact O-N 3.41Å; N433-C437 PolarHBondContact O-SG 3Å; N433-C437 VanDerWaalsContact O-SG 3.35Å; N433-T683 HydrophobicContact CB-CG2 4.07Å
434	L	87.8	Confident	83.6	Confident	18 Å²	18	76.4 Å²	76.4	9%	0.094	36%	0.364	C	S	.	.	H	α-helix	trans	-58.4	-47.6	174	-177.6	74.5	0	0	0	111.5	F219 I430 Y431 K436 C437 F438 T683 F687	F219-L434 HydrophobicContact CE2-CD1 4.1Å; F219-L434 HydrophobicContact CE2-CD2 3.74Å; F219-L434 HydrophobicContact CE2-CG 4.44Å; F219-L434 HydrophobicContact CZ-CD2 3.95Å; I430-L434 PolarHBondContact O-N 2.72Å; Y431-L434 PolarHBondContact O-N 2.83Å; L434-K436 VanDerWaalsContact C-N 3.26Å; L434-K436 PolarHBondContact O-N 2.9Å; L434-C437 WeakPolarHBondContact O-CB 3.25Å; L434-C437 PolarHBondContact O-N 3.08Å; L434-C437 VanDerWaalsContact O-N 3.09Å; L434-F438 HydrophobicContact CD1-CE2 4.08Å; L434-F438 HydrophobicContact CG-CD2 4.35Å; L434-F438 HydrophobicContact CG-CE2 4.26Å; L434-F438 WeakPolarHBondContact O-CD2 3.1Å; L434-F438 PolarHBondContact O-N 2.86Å; L434-T683 HydrophobicContact CB-CG2 4.04Å; L434-T683 HydrophobicContact CD1-CG2 4.42Å; L434-F687 HydrophobicContact CD1-CB 3.79Å; L434-F687 HydrophobicContact CD1-CD2 3.7Å; L434-F687 HydrophobicContact CD1-CE2 4.47Å; L434-F687 HydrophobicContact CD1-CG 3.74Å
435	M	87.8	Confident	83.9	Confident	83 Å²	83	70.3 Å²	70.3	41%	0.409	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-27.4	178.4	-68.7	-60.8	-66.8	0	0	112.4	Y431 L432 N433 F438 K439	Y431-M435 HydrophobicContact CD1-CG 4.22Å; Y431-M435 HydrophobicContact CD2-CG 4.37Å; Y431-M435 HydrophobicContact CE1-CG 3.78Å; Y431-M435 HydrophobicContact CE2-CG 3.93Å; Y431-M435 HydrophobicContact CE2-SD 4.12Å; Y431-M435 WeakPolarHBondContact O-CB 3.13Å; Y431-M435 VanDerWaalsContact O-CG 3.27Å; Y431-M435 WeakPolarHBondContact O-CG 3.24Å; Y431-M435 PolarHBondContact O-N 3.3Å; L432-M435 PolarHBondContact O-N 3.39Å; N433-M435 PolarHBondContact O-N 3.17Å; M435-F438 PolarHBondContact O-N 3.13Å; M435-K439 PolarHBondContact O-N 3.41Å
436	K	84.8	Confident	84.4	Confident	70 Å²	70	68.4 Å²	68.4	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-68.1	-39.4	169	-74.4	174.7	177.2	-174.3	0	111.8	L432 N433 L434 F438 K439	L432-K436 WeakPolarHBondContact O-CG 3.35Å; L432-K436 PolarHBondContact O-N 3.1Å; N433-K436 WeakPolarHBondContact O-CB 3.27Å; N433-K436 PolarHBondContact O-N 3.41Å; N433-K436 VanDerWaalsContact O-N 3.14Å; L434-K436 VanDerWaalsContact C-N 3.26Å; L434-K436 PolarHBondContact O-N 2.9Å; K436-F438 PolarHBondContact O-N 2.98Å; K436-K439 PolarHBondContact O-N 3Å
437	C	85.9	Confident	84.9	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.014	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-21	174.1	-61.6	0	0	0	0	113.7	N433 L434 T446 F676	N433-C437 PolarHBondContact O-N 3.41Å; N433-C437 PolarHBondContact O-SG 3Å; N433-C437 VanDerWaalsContact O-SG 3.35Å; L434-C437 WeakPolarHBondContact O-CB 3.25Å; L434-C437 PolarHBondContact O-N 3.08Å; L434-C437 VanDerWaalsContact O-N 3.09Å; C437-T446 WeakPolarHBondContact O-CB 3.25Å; C437-T446 PolarHBondContact O-OG1 3.32Å; C437-F676 HydrophobicContact CB-CE1 4.44Å
438	F	87.4	Confident	85.4	Confident	49 Å²	49	67.6 Å²	67.6	22%	0.215	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.2	174.8	-77.1	-68.5	0	0	0	114.8	L434 M435 K436 Q443 T446 M447 F687	L434-F438 HydrophobicContact CD1-CE2 4.08Å; L434-F438 HydrophobicContact CG-CD2 4.35Å; L434-F438 HydrophobicContact CG-CE2 4.26Å; L434-F438 WeakPolarHBondContact O-CD2 3.1Å; L434-F438 PolarHBondContact O-N 2.86Å; M435-F438 PolarHBondContact O-N 3.13Å; K436-F438 PolarHBondContact O-N 2.98Å; F438-Q443 WeakPolarHBondContact O-CB 3.26Å; F438-Q443 VanDerWaalsContact O-CD 3.26Å; F438-Q443 VanDerWaalsContact O-CG 3.26Å; F438-Q443 WeakPolarHBondContact O-CG 3.36Å; F438-T446 HydrophobicContact CD1-CG2 4.15Å; F438-T446 HydrophobicContact CE1-CG2 3.74Å; F438-T446 HydrophobicContact CE2-CG2 4.42Å; F438-T446 HydrophobicContact CZ-CG2 3.9Å; F438-M447 HydrophobicContact CD1-CE 3.87Å; F438-M447 HydrophobicContact CE1-CE 3.74Å; F438-M447 HydrophobicContact CE1-SD 4.02Å; F438-F687 HydrophobicContact CE2-CD1 4.47Å; F438-F687 HydrophobicContact CE2-CE1 4.08Å; F438-F687 HydrophobicContact CE2-CE2 4.42Å; F438-F687 HydrophobicContact CE2-CZ 4.05Å; F438-F687 HydrophobicContact CZ-CD1 4.24Å; F438-F687 AromaticContact CZ-CE1 3.53Å; F438-F687 HydrophobicContact CZ-CE1 3.53Å; F438-F687 HydrophobicContact CZ-CE2 4.45Å; F438-F687 AromaticContact CZ-CZ 3.65Å; F438-F687 HydrophobicContact CZ-CZ 3.65Å
439	K	86	Confident	85.9	Confident	139 Å²	139	62.5 Å²	62.5	60%	0.604	29%	0.292	S	S	*	.	S	Bend	trans	-95.8	161.2	170.7	-74.8	-179.5	177.9	-173.9	0	111.7	M435 K436 M442 Q443	M435-K439 PolarHBondContact O-N 3.41Å; K436-K439 PolarHBondContact O-N 3Å; K439-M442 PolarHBondContact O-N 3.21Å; K439-M442 VanDerWaalsContact O-N 3.09Å; K439-Q443 WeakPolarHBondContact O-CB 3.45Å; K439-Q443 PolarHBondContact O-N 3.18Å
440	Y	76.1	Confident	86.5	Confident	208 Å²	208	62.5 Å²	62.5	82%	0.816	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	140.6	166	-174.5	-91.9	0	0	0	110.2
441	P	77.7	Confident	87	Confident	84 Å²	84	66.2 Å²	66.2	55%	0.545	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.3	-16	3.1	32.3	-34.2	0	0	0	115.1	Q443	P441-Q443 PolarHBondContact O-N 3.16Å
442	M	81.1	Confident	87.5	Confident	35 Å²	35	60.4 Å²	60.4	17%	0.172	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.7	-164.7	-68.6	166.9	-178.3	0	0	115.1	K439 E444 N445 T446 P677	K439-M442 PolarHBondContact O-N 3.21Å; K439-M442 VanDerWaalsContact O-N 3.09Å; M442-E444 PolarHBondContact O-N 3.43Å; M442-E444 VanDerWaalsContact O-N 3.09Å; M442-N445 PolarHBondContact O-N 3Å; M442-T446 PolarHBondContact O-N 2.94Å; M442-T446 PolarHBondContact O-OG1 3.03Å; M442-T446 VanDerWaalsContact O-OG1 3.12Å; M442-P677 HydrophobicContact CE-CB 4.09Å; M442-P677 HydrophobicContact CE-CG 3.67Å; M442-P677 WeakPolarHBondContact SD-CD 3.35Å; M442-P677 HydrophobicContact SD-CG 3.72Å
443	Q	85.6	Confident	87.9	Confident	92 Å²	92	56.8 Å²	56.8	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-45.3	-42.9	-179.5	-174.9	179.6	9.7	0	0	114.3	F438 K439 P441 M447	F438-Q443 WeakPolarHBondContact O-CB 3.26Å; F438-Q443 VanDerWaalsContact O-CD 3.26Å; F438-Q443 VanDerWaalsContact O-CG 3.26Å; F438-Q443 WeakPolarHBondContact O-CG 3.36Å; K439-Q443 WeakPolarHBondContact O-CB 3.45Å; K439-Q443 PolarHBondContact O-N 3.18Å; P441-Q443 PolarHBondContact O-N 3.16Å; Q443-M447 WeakPolarHBondContact O-CB 3.36Å; Q443-M447 VanDerWaalsContact O-CG 3.25Å; Q443-M447 WeakPolarHBondContact O-CG 3.49Å; Q443-M447 PolarHBondContact O-N 3.06Å
444	E	86.8	Confident	88.4	Confident	112 Å²	112	59.2 Å²	59.2	52%	0.523	28%	0.278	S	S	.	.	H	α-helix	trans	-69.6	-38	-177.3	-160.1	-174.8	-153.1	0	0	112	M442 R448	M442-E444 PolarHBondContact O-N 3.43Å; M442-E444 VanDerWaalsContact O-N 3.09Å; E444-R448 WeakPolarHBondContact O-CB 3.46Å; E444-R448 VanDerWaalsContact O-CG 3.3Å; E444-R448 WeakPolarHBondContact O-CG 3.42Å; E444-R448 PolarHBondContact O-N 3.26Å; E444-R448 IonicContact OE1-CZ 2.7Å; E444-R448 IonicContact OE1-NH1 3.45Å; E444-R448 IonicContact OE1-NH2 2.62Å; E444-R448 PolarHBondContact OE1-NH2 2.9Å; E444-R448 IonicContact OE2-CZ 2.76Å; E444-R448 IonicContact OE2-NH1 3.32Å; E444-R448 PolarHBondContact OE2-NH1 3.45Å; E444-R448 IonicContact OE2-NH2 3.51Å; E444-R448 PolarHBondContact OE2-NH2 3.45Å
445	N	87.2	Confident	88.8	Confident	32 Å²	32	59.3 Å²	59.3	17%	0.171	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-46.4	175.8	-65	-11.8	0	0	0	110.6	M442 M447 R448 L449 P733	M442-N445 PolarHBondContact O-N 3Å; N445-M447 VanDerWaalsContact C-N 3.32Å; N445-M447 PolarHBondContact O-N 3.47Å; N445-R448 PolarHBondContact O-N 3.44Å; N445-L449 WeakPolarHBondContact O-CB 3.34Å; N445-L449 WeakPolarHBondContact O-CG 3.23Å; N445-L449 PolarHBondContact O-N 3.45Å; N445-P733 VanDerWaalsContact OD1-CD 3.22Å; N445-P733 WeakPolarHBondContact OD1-CD 3.24Å; N445-P733 WeakPolarHBondContact OD1-CG 3.33Å
446	T	90.4	Very high	89.1	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-56.2	-45.1	176.2	-51.4	0	0	0	0	111.4	C437 F438 M442 A450 F676	C437-T446 WeakPolarHBondContact O-CB 3.25Å; C437-T446 PolarHBondContact O-OG1 3.32Å; F438-T446 HydrophobicContact CD1-CG2 4.15Å; F438-T446 HydrophobicContact CE1-CG2 3.74Å; F438-T446 HydrophobicContact CE2-CG2 4.42Å; F438-T446 HydrophobicContact CZ-CG2 3.9Å; M442-T446 PolarHBondContact O-N 2.94Å; M442-T446 PolarHBondContact O-OG1 3.03Å; M442-T446 VanDerWaalsContact O-OG1 3.12Å; T446-A450 VanDerWaalsContact O-CB 3.25Å; T446-A450 WeakPolarHBondContact O-CB 3.49Å; T446-A450 PolarHBondContact O-N 3.26Å; T446-F676 HydrophobicContact CG2-CE1 4.44Å; T446-F676 HydrophobicContact CG2-CZ 4.38Å
447	M	91.4	Very high	89.5	Confident	91 Å²	91	52 Å²	52	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-67.5	-42.4	177.9	-73.5	-68.1	-171.2	0	0	112.8	F438 Q443 N445 A450 I451	F438-M447 HydrophobicContact CD1-CE 3.87Å; F438-M447 HydrophobicContact CE1-CE 3.74Å; F438-M447 HydrophobicContact CE1-SD 4.02Å; Q443-M447 WeakPolarHBondContact O-CB 3.36Å; Q443-M447 VanDerWaalsContact O-CG 3.25Å; Q443-M447 WeakPolarHBondContact O-CG 3.49Å; Q443-M447 PolarHBondContact O-N 3.06Å; N445-M447 VanDerWaalsContact C-N 3.32Å; N445-M447 PolarHBondContact O-N 3.47Å; M447-A450 PolarHBondContact O-N 3.39Å; M447-I451 WeakPolarHBondContact O-CG1 3.46Å; M447-I451 PolarHBondContact O-N 2.88Å; M447-I451 VanDerWaalsContact O-N 3.16Å
448	R	92.8	Very high	89.8	Confident	54 Å²	54	52.7 Å²	52.7	20%	0.204	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-46.8	175.6	-75.6	173.4	176	136.5	5.1	111.5	E444 N445 I451 V452 V728 R731 L732	E444-R448 WeakPolarHBondContact O-CB 3.46Å; E444-R448 VanDerWaalsContact O-CG 3.3Å; E444-R448 WeakPolarHBondContact O-CG 3.42Å; E444-R448 PolarHBondContact O-N 3.26Å; E444-R448 IonicContact OE1-CZ 2.7Å; E444-R448 IonicContact OE1-NH1 3.45Å; E444-R448 IonicContact OE1-NH2 2.62Å; E444-R448 PolarHBondContact OE1-NH2 2.9Å; E444-R448 IonicContact OE2-CZ 2.76Å; E444-R448 IonicContact OE2-NH1 3.32Å; E444-R448 PolarHBondContact OE2-NH1 3.45Å; E444-R448 IonicContact OE2-NH2 3.51Å; E444-R448 PolarHBondContact OE2-NH2 3.45Å; N445-R448 PolarHBondContact O-N 3.44Å; R448-I451 PolarHBondContact O-N 3.48Å; R448-V452 WeakPolarHBondContact O-CG2 3.31Å; R448-V452 PolarHBondContact O-N 3.47Å; R448-V728 HydrophobicContact CB-CG1 4.12Å; R448-V728 HydrophobicContact CG-CG1 4.13Å; R448-R731 WeakPolarHBondContact CD-O 3.24Å; R448-R731 PolarHBondContact NE-O 3.13Å; R448-R731 VanDerWaalsContact NE-O 3.14Å; R448-R731 PolarHBondContact NH1-O 3.4Å; R448-L732 HydrophobicContact CB-CD2 3.48Å; R448-L732 VanDerWaalsContact CB-CD2 3.48Å; R448-L732 HydrophobicContact CB-CG 4.19Å; R448-L732 HydrophobicContact CG-CD2 4.4Å
449	L	92.8	Very high	90	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-46	176.7	-74.7	172.4	0	0	0	111.8	N445 I451 V452 W453 L668 V671 F676 L732	N445-L449 WeakPolarHBondContact O-CB 3.34Å; N445-L449 WeakPolarHBondContact O-CG 3.23Å; N445-L449 PolarHBondContact O-N 3.45Å; L449-I451 VanDerWaalsContact C-N 3.26Å; L449-I451 PolarHBondContact O-N 2.88Å; L449-V452 PolarHBondContact O-N 2.99Å; L449-V452 VanDerWaalsContact O-N 3.07Å; L449-W453 WeakPolarHBondContact O-CB 3.34Å; L449-W453 VanDerWaalsContact O-CD1 3.29Å; L449-W453 PolarHBondContact O-N 3.11Å; L449-L668 HydrophobicContact CD2-CD1 4.1Å; L449-V671 HydrophobicContact CD2-CG1 4.3Å; L449-F676 HydrophobicContact CD1-CE2 4.03Å; L449-F676 HydrophobicContact CD1-CZ 4.2Å; L449-L732 HydrophobicContact CD2-CD1 3.9Å; L449-L732 HydrophobicContact CD2-CD2 4.27Å; L449-L732 HydrophobicContact CG-CD2 4.07Å
450	A	94.1	Very high	90.2	Very high	13 Å²	13	44.4 Å²	44.4	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-54.5	-41.8	176.3	0	0	0	0	0	112.4	T446 M447 F454 F687 L691	T446-A450 VanDerWaalsContact O-CB 3.25Å; T446-A450 WeakPolarHBondContact O-CB 3.49Å; T446-A450 PolarHBondContact O-N 3.26Å; M447-A450 PolarHBondContact O-N 3.39Å; A450-F454 VanDerWaalsContact O-CB 3.27Å; A450-F454 WeakPolarHBondContact O-CB 3.25Å; A450-F454 PolarHBondContact O-N 3.23Å; A450-F687 HydrophobicContact CB-CE1 4.48Å; A450-L691 HydrophobicContact CB-CD1 3.54Å
451	I	94.9	Very high	90.7	Very high	83 Å²	83	35.1 Å²	35.1	43%	0.426	18%	0.175	S	C	.	.	H	α-helix	trans	-66.3	-46.1	174.9	-66.5	163.8	0	0	0	111	M447 R448 L449 F454 T455 V728	M447-I451 WeakPolarHBondContact O-CG1 3.46Å; M447-I451 PolarHBondContact O-N 2.88Å; M447-I451 VanDerWaalsContact O-N 3.16Å; R448-I451 PolarHBondContact O-N 3.48Å; L449-I451 VanDerWaalsContact C-N 3.26Å; L449-I451 PolarHBondContact O-N 2.88Å; I451-F454 PolarHBondContact O-N 3.17Å; I451-T455 HydrophobicContact CG2-CG2 4.17Å; I451-T455 WeakPolarHBondContact O-CB 3.29Å; I451-T455 VanDerWaalsContact O-CG2 3.26Å; I451-T455 WeakPolarHBondContact O-CG2 3.42Å; I451-T455 PolarHBondContact O-N 2.93Å; I451-T455 PolarHBondContact O-OG1 3.32Å; I451-V728 HydrophobicContact CB-CG1 4.34Å; I451-V728 HydrophobicContact CG2-CB 4.38Å; I451-V728 HydrophobicContact CG2-CG1 4.19Å; I451-V728 HydrophobicContact CG2-CG2 4.21Å
452	V	95.3	Very high	91.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-46.2	-179.6	177	0	0	0	0	111.5	R448 L449 T455 L456 L627 M631 L668 V728	R448-V452 WeakPolarHBondContact O-CG2 3.31Å; R448-V452 PolarHBondContact O-N 3.47Å; L449-V452 PolarHBondContact O-N 2.99Å; L449-V452 VanDerWaalsContact O-N 3.07Å; V452-T455 PolarHBondContact O-N 2.91Å; V452-T455 PolarHBondContact O-OG1 3.26Å; V452-L456 VanDerWaalsContact O-CB 3.27Å; V452-L456 WeakPolarHBondContact O-CB 3.48Å; V452-L456 PolarHBondContact O-N 2.87Å; V452-L627 HydrophobicContact CG1-CD1 4.17Å; V452-L627 HydrophobicContact CG1-CD2 4.35Å; V452-M631 HydrophobicContact CG1-CE 4.28Å; V452-M631 HydrophobicContact CG1-SD 3.74Å; V452-L668 HydrophobicContact CB-CD1 4.27Å; V452-L668 HydrophobicContact CG1-CD1 3.64Å; V452-L668 HydrophobicContact CG1-CD2 4.1Å; V452-L668 HydrophobicContact CG1-CG 4.48Å; V452-V728 HydrophobicContact CG2-CB 4.35Å; V452-V728 HydrophobicContact CG2-CG1 4.13Å
453	W	95.1	Very high	91.2	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-45.1	175.1	-84.7	97.2	0	0	0	112.7	L449 S457 W665 L668 D669 T672 F685 C688 C692	L449-W453 WeakPolarHBondContact O-CB 3.34Å; L449-W453 VanDerWaalsContact O-CD1 3.29Å; L449-W453 PolarHBondContact O-N 3.11Å; W453-S457 WeakPolarHBondContact O-CB 3.45Å; W453-S457 PolarHBondContact O-N 3.27Å; W453-S457 VanDerWaalsContact O-N 3.1Å; W453-W665 AromaticContact CE3-CZ3 3.8Å; W453-W665 HydrophobicContact CE3-CZ3 3.8Å; W453-W665 HydrophobicContact CZ3-CE3 4.32Å; W453-W665 AromaticContact CZ3-CZ3 3.76Å; W453-W665 HydrophobicContact CZ3-CZ3 3.76Å; W453-L668 HydrophobicContact CB-CD2 4.38Å; W453-L668 HydrophobicContact CD2-CD2 3.53Å; W453-L668 HydrophobicContact CD2-CG 3.94Å; W453-L668 HydrophobicContact CE3-CD2 3.86Å; W453-L668 HydrophobicContact CG-CD1 4.38Å; W453-L668 HydrophobicContact CG-CD2 3.72Å; W453-L668 HydrophobicContact CG-CG 4.21Å; W453-L668 HydrophobicContact CZ2-CD2 4.46Å; W453-L668 HydrophobicContact CZ2-CG 4.12Å; W453-L668 HydrophobicContact CZ3-CD2 4.48Å; W453-D669 VanDerWaalsContact CH2-OD1 3.26Å; W453-D669 WeakPolarHBondContact CH2-OD1 3.37Å; W453-T672 HydrophobicContact CZ2-CG2 4.32Å; W453-T672 PolarHBondContact NE1-OG1 2.95Å; W453-F685 AromaticContact CH2-CE2 3.81Å; W453-F685 HydrophobicContact CH2-CE2 3.81Å; W453-F685 HydrophobicContact CH2-CZ 4.15Å; W453-F685 HydrophobicContact CZ2-CD2 4.38Å; W453-F685 AromaticContact CZ2-CE2 3.71Å; W453-F685 HydrophobicContact CZ2-CE2 3.71Å; W453-F685 AromaticContact CZ2-CZ 3.9Å; W453-F685 HydrophobicContact CZ2-CZ 3.9Å; W453-C688 HydrophobicContact CD2-CB 4.25Å; W453-C688 HydrophobicContact CG-CB 3.93Å; W453-C692 HydrophobicContact CD2-CB 4.43Å; W453-C692 HydrophobicContact CE3-CB 3.49Å; W453-C692 VanDerWaalsContact CE3-CB 3.49Å; W453-C692 HydrophobicContact CZ3-CB 3.98Å
454	F	95.6	Very high	90.9	Very high	73 Å²	73	27.3 Å²	27.3	32%	0.32	14%	0.136	S	C	.	.	H	α-helix	trans	-63.5	-48.2	177.3	-175.7	-82.3	0	0	0	111.6	A450 I451 F458 A695 L698	A450-F454 VanDerWaalsContact O-CB 3.27Å; A450-F454 WeakPolarHBondContact O-CB 3.25Å; A450-F454 PolarHBondContact O-N 3.23Å; I451-F454 PolarHBondContact O-N 3.17Å; F454-F458 HydrophobicContact CE1-CB 4.42Å; F454-F458 VanDerWaalsContact O-CB 3.24Å; F454-F458 WeakPolarHBondContact O-CB 3.46Å; F454-F458 PolarHBondContact O-N 3.41Å; F454-A695 HydrophobicContact CB-CB 4.45Å; F454-A695 HydrophobicContact CD2-CB 3.62Å; F454-A695 HydrophobicContact CE2-CB 3.87Å; F454-A695 HydrophobicContact CG-CB 3.97Å; F454-A695 HydrophobicContact CZ-CB 4.41Å; F454-A695 WeakPolarHBondContact O-CB 3.26Å; F454-L698 HydrophobicContact CE2-CD1 4.08Å; F454-L698 HydrophobicContact CZ-CD1 4.2Å
455	T	95.3	Very high	90.4	Very high	20 Å²	20	24.4 Å²	24.4	12%	0.123	13%	0.125	C	C	.	.	H	α-helix	trans	-71	-41.1	-175.2	52.4	0	0	0	0	112.9	I451 V452 G459 V721 G725	I451-T455 HydrophobicContact CG2-CG2 4.17Å; I451-T455 WeakPolarHBondContact O-CB 3.29Å; I451-T455 VanDerWaalsContact O-CG2 3.26Å; I451-T455 WeakPolarHBondContact O-CG2 3.42Å; I451-T455 PolarHBondContact O-N 2.93Å; I451-T455 PolarHBondContact O-OG1 3.32Å; V452-T455 PolarHBondContact O-N 2.91Å; V452-T455 PolarHBondContact O-OG1 3.26Å; T455-G459 PolarHBondContact O-N 2.95Å; T455-G459 VanDerWaalsContact O-N 3.11Å; T455-V721 HydrophobicContact CG2-CG1 3.82Å; T455-V721 WeakPolarHBondContact O-CG1 3.38Å; T455-G725 VanDerWaalsContact OG1-CA 3.25Å; T455-G725 WeakPolarHBondContact OG1-CA 3.24Å
456	L	94.6	Very high	90.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-46.7	173.7	-176	57.4	0	0	0	111	V452 Y460 M631 A664 W665 L668 L722	V452-L456 VanDerWaalsContact O-CB 3.27Å; V452-L456 WeakPolarHBondContact O-CB 3.48Å; V452-L456 PolarHBondContact O-N 2.87Å; L456-Y460 WeakPolarHBondContact O-CB 3.24Å; L456-Y460 PolarHBondContact O-N 3.28Å; L456-M631 HydrophobicContact CB-CE 3.84Å; L456-M631 HydrophobicContact CD1-CE 4.31Å; L456-M631 HydrophobicContact CD1-CG 4.28Å; L456-A664 HydrophobicContact CD1-CB 4.02Å; L456-A664 HydrophobicContact CD2-CB 3.94Å; L456-W665 HydrophobicContact CB-CH2 4.46Å; L456-W665 HydrophobicContact CD2-CD2 3.56Å; L456-W665 HydrophobicContact CD2-CE3 3.62Å; L456-W665 HydrophobicContact CD2-CG 4.01Å; L456-W665 HydrophobicContact CD2-CH2 4.35Å; L456-W665 HydrophobicContact CD2-CZ2 4.33Å; L456-W665 HydrophobicContact CD2-CZ3 4.01Å; L456-W665 HydrophobicContact CG-CD2 3.97Å; L456-W665 HydrophobicContact CG-CE3 4.2Å; L456-W665 HydrophobicContact CG-CH2 4.06Å; L456-W665 HydrophobicContact CG-CZ2 3.84Å; L456-W665 HydrophobicContact CG-CZ3 4.23Å; L456-L668 HydrophobicContact CD2-CD2 3.81Å; L456-L722 HydrophobicContact CD1-CD2 3.84Å
457	S	93.3	Very high	89.5	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-51	178.9	-176.7	0	0	0	0	112.9	W453 G459 Y460 Y461 C692 A696	W453-S457 WeakPolarHBondContact O-CB 3.45Å; W453-S457 PolarHBondContact O-N 3.27Å; W453-S457 VanDerWaalsContact O-N 3.1Å; S457-G459 VanDerWaalsContact C-N 3.32Å; S457-G459 PolarHBondContact O-N 2.88Å; S457-Y460 PolarHBondContact O-N 3.21Å; S457-Y461 PolarHBondContact O-N 3.39Å; S457-Y461 WeakPolarHBondContact OG-CD2 3.08Å; S457-C692 WeakPolarHBondContact CB-O 3.37Å; S457-C692 PolarHBondContact OG-O 3.32Å; S457-A696 PolarHBondContact OG-N 2.86Å
458	F	93.2	Very high	88.5	Confident	16 Å²	16	23 Å²	23	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-41.4	-178.9	-177	-100	0	0	0	112.1	F454 G462 A695 L698 I702 F703 M717 V721	F454-F458 HydrophobicContact CE1-CB 4.42Å; F454-F458 VanDerWaalsContact O-CB 3.24Å; F454-F458 WeakPolarHBondContact O-CB 3.46Å; F454-F458 PolarHBondContact O-N 3.41Å; F458-G462 PolarHBondContact O-N 2.94Å; F458-A695 HydrophobicContact CB-CB 4.31Å; F458-L698 HydrophobicContact CD2-CB 4.48Å; F458-L698 HydrophobicContact CE2-CB 4.48Å; F458-I702 HydrophobicContact CE2-CD1 4.11Å; F458-I702 HydrophobicContact CZ-CD1 4.31Å; F458-F703 HydrophobicContact CD1-CE2 4.16Å; F458-F703 AromaticContact CE1-CE2 3.71Å; F458-F703 HydrophobicContact CE1-CE2 3.71Å; F458-F703 HydrophobicContact CE1-CZ 4.34Å; F458-F703 HydrophobicContact CE2-CE2 4.23Å; F458-F703 HydrophobicContact CZ-CD2 4.36Å; F458-F703 AromaticContact CZ-CE2 3.75Å; F458-F703 HydrophobicContact CZ-CE2 3.75Å; F458-M717 HydrophobicContact CE1-CE 3.87Å; F458-M717 HydrophobicContact CE1-CG 4.11Å; F458-M717 HydrophobicContact CE1-SD 4.03Å; F458-M717 HydrophobicContact CZ-CE 3.79Å; F458-M717 HydrophobicContact CZ-SD 4.08Å; F458-V721 HydrophobicContact CD1-CG1 4.16Å; F458-V721 HydrophobicContact CD1-CG2 4.24Å; F458-V721 HydrophobicContact CE1-CG2 4.4Å
459	G	91.1	Very high	87.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.7	-45.2	176.1	0	0	0	0	0	113	T455 S457 L463 Y657	T455-G459 PolarHBondContact O-N 2.95Å; T455-G459 VanDerWaalsContact O-N 3.11Å; S457-G459 VanDerWaalsContact C-N 3.32Å; S457-G459 PolarHBondContact O-N 2.88Å; G459-L463 WeakPolarHBondContact O-CB 3.34Å; G459-L463 PolarHBondContact O-N 3.4Å; G459-Y657 PolarHBondContact O-OH 2.97Å
460	Y	90.1	Very high	86.8	Confident	13 Å²	13	23.9 Å²	23.9	5%	0.051	13%	0.132	C	C	.	.	H	α-helix	trans	-72.3	-61.6	-175	-176.6	-106.5	0	0	0	113.1	L456 S457 G462 L463 S464 Y657 I662 W665	L456-Y460 WeakPolarHBondContact O-CB 3.24Å; L456-Y460 PolarHBondContact O-N 3.28Å; S457-Y460 PolarHBondContact O-N 3.21Å; Y460-G462 VanDerWaalsContact C-N 3.35Å; Y460-G462 PolarHBondContact O-N 2.95Å; Y460-L463 PolarHBondContact O-N 3.15Å; Y460-S464 WeakPolarHBondContact O-CB 3.36Å; Y460-S464 PolarHBondContact O-N 2.83Å; Y460-S464 PolarHBondContact O-OG 3.29Å; Y460-Y657 WeakPolarHBondContact CA-OH 3.33Å; Y460-I662 HydrophobicContact CE2-CG1 4.3Å; Y460-W665 AromaticContact CD1-CE2 3.85Å; Y460-W665 AromaticContact CD1-CZ2 3.89Å; Y460-W665 HydrophobicContact CD1-CZ2 3.89Å; Y460-W665 AromaticContact CD1-NE1 3.24Å; Y460-W665 AromaticContact CD2-NE1 3.8Å; Y460-W665 AromaticContact CE1-NE1 3.64Å; Y460-W665 HydrophobicContact CG-CZ2 4.19Å; Y460-W665 AromaticContact CG-NE1 3.33Å; Y460-W665 VanDerWaalsContact CG-NE1 3.33Å
461	Y	86.7	Confident	85.7	Confident	13 Å²	13	26.7 Å²	26.7	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-68.3	-36.5	-175.9	-68.1	-76.3	0	0	0	111.8	S457 L463 S464 V465 W665 A696 N700	S457-Y461 PolarHBondContact O-N 3.39Å; S457-Y461 WeakPolarHBondContact OG-CD2 3.08Å; Y461-L463 PolarHBondContact O-N 2.8Å; Y461-S464 WeakPolarHBondContact CA-OG 3.32Å; Y461-S464 PolarHBondContact O-N 3.04Å; Y461-S464 PolarHBondContact O-OG 2.97Å; Y461-S464 VanDerWaalsContact O-OG 3.09Å; Y461-V465 PolarHBondContact O-N 3.3Å; Y461-V465 VanDerWaalsContact O-N 3.14Å; Y461-W665 HydrophobicContact CD2-CZ2 4.12Å; Y461-W665 AromaticContact CE2-CH2 3.82Å; Y461-W665 HydrophobicContact CE2-CH2 3.82Å; Y461-W665 AromaticContact CE2-CZ2 3.54Å; Y461-W665 HydrophobicContact CE2-CZ2 3.54Å; Y461-A696 HydrophobicContact CD2-CB 3.8Å; Y461-A696 HydrophobicContact CG-CB 3.89Å; Y461-N700 PolarHBondContact O-OD1 2.97Å
462	G	85.8	Confident	84.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.4	-46.5	175.1	0	0	0	0	0	112.6	F458 Y460 W466 F703	F458-G462 PolarHBondContact O-N 2.94Å; Y460-G462 VanDerWaalsContact C-N 3.35Å; Y460-G462 PolarHBondContact O-N 2.95Å; G462-W466 WeakPolarHBondContact O-CB 3.42Å; G462-W466 PolarHBondContact O-N 2.92Å; G462-F703 WeakPolarHBondContact O-CB 3.19Å; G462-F703 WeakPolarHBondContact O-CD1 3.48Å; G462-F703 WeakPolarHBondContact O-CG 3.41Å
463	L	83.3	Confident	83.6	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-73.6	-37.5	174.9	-77	179.4	0	0	0	113.5	G459 Y460 Y461 V465 W466 F467 C638 Y657 F703 A718	G459-L463 WeakPolarHBondContact O-CB 3.34Å; G459-L463 PolarHBondContact O-N 3.4Å; Y460-L463 PolarHBondContact O-N 3.15Å; Y461-L463 PolarHBondContact O-N 2.8Å; L463-V465 VanDerWaalsContact C-N 3.26Å; L463-V465 PolarHBondContact O-N 3.34Å; L463-W466 HydrophobicContact CD2-CD2 4.47Å; L463-W466 HydrophobicContact CD2-CE3 3.75Å; L463-W466 HydrophobicContact CD2-CZ3 4.25Å; L463-W466 PolarHBondContact O-N 3.34Å; L463-F467 HydrophobicContact CB-CD2 4.17Å; L463-F467 HydrophobicContact CB-CE2 4.06Å; L463-F467 HydrophobicContact CD1-CE2 4.3Å; L463-F467 HydrophobicContact CD2-CD2 4.45Å; L463-F467 HydrophobicContact CD2-CE2 3.86Å; L463-F467 HydrophobicContact CD2-CZ 4.41Å; L463-F467 HydrophobicContact CG-CE2 4.3Å; L463-F467 VanDerWaalsContact O-CD2 3.28Å; L463-F467 WeakPolarHBondContact O-CD2 3.03Å; L463-F467 PolarHBondContact O-N 3.09Å; L463-C638 VanDerWaalsContact CD1-SG 3.57Å; L463-Y657 HydrophobicContact CB-CE1 4.43Å; L463-Y657 HydrophobicContact CD1-CE1 4.24Å; L463-Y657 HydrophobicContact CD1-CE2 4.09Å; L463-F703 HydrophobicContact CD2-CD1 4.11Å; L463-F703 HydrophobicContact CD2-CE1 3.67Å; L463-F703 HydrophobicContact CG-CD1 4.5Å; L463-F703 HydrophobicContact CG-CE1 3.85Å; L463-A718 HydrophobicContact CD1-CB 3.4Å; L463-A718 HydrophobicContact CD2-CB 4.21Å; L463-A718 HydrophobicContact CG-CB 3.69Å
464	S	79.3	Confident	82.6	Confident	47 Å²	47	36.1 Å²	36.1	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-64.7	-30.2	-176.6	71.8	0	0	0	0	113.1	Y460 Y461 P468	Y460-S464 WeakPolarHBondContact O-CB 3.36Å; Y460-S464 PolarHBondContact O-N 2.83Å; Y460-S464 PolarHBondContact O-OG 3.29Å; Y461-S464 WeakPolarHBondContact CA-OG 3.32Å; Y461-S464 PolarHBondContact O-N 3.04Å; Y461-S464 PolarHBondContact O-OG 2.97Å; Y461-S464 VanDerWaalsContact O-OG 3.09Å; S464-P468 WeakPolarHBondContact O-CD 3.36Å; S464-P468 WeakPolarHBondContact O-CG 3.49Å
465	V	76.9	Confident	81.5	Confident	51 Å²	51	38.5 Å²	38.5	31%	0.309	20%	0.198	S	C	.	.	H	α-helix	trans	-81.7	-40.3	171.6	177.7	0	0	0	0	111.4	Y461 L463 F467 P468 D469 N700	Y461-V465 PolarHBondContact O-N 3.3Å; Y461-V465 VanDerWaalsContact O-N 3.14Å; L463-V465 VanDerWaalsContact C-N 3.26Å; L463-V465 PolarHBondContact O-N 3.34Å; V465-F467 PolarHBondContact O-N 3.39Å; V465-P468 WeakPolarHBondContact O-CD 3.32Å; V465-D469 PolarHBondContact O-N 3.32Å; V465-N700 WeakPolarHBondContact CG2-OD1 3.49Å
466	W	82.9	Confident	80.4	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-39.4	-177.1	-176	74.5	0	0	0	114.4	G462 L463 D469 V470 F703 K711 P714 I715	G462-W466 WeakPolarHBondContact O-CB 3.42Å; G462-W466 PolarHBondContact O-N 2.92Å; L463-W466 HydrophobicContact CD2-CD2 4.47Å; L463-W466 HydrophobicContact CD2-CE3 3.75Å; L463-W466 HydrophobicContact CD2-CZ3 4.25Å; L463-W466 PolarHBondContact O-N 3.34Å; W466-D469 PolarHBondContact O-N 3.05Å; W466-V470 HydrophobicContact CD2-CG2 3.81Å; W466-V470 HydrophobicContact CE3-CG2 4.41Å; W466-V470 HydrophobicContact CG-CG2 4.2Å; W466-V470 HydrophobicContact CH2-CG2 4.3Å; W466-V470 HydrophobicContact CZ2-CG2 3.66Å; W466-V470 WeakPolarHBondContact O-CB 3.3Å; W466-V470 WeakPolarHBondContact O-CG2 3.48Å; W466-V470 PolarHBondContact O-N 3.16Å; W466-F703 HydrophobicContact CB-CB 4.09Å; W466-F703 HydrophobicContact CB-CD1 4.16Å; W466-F703 VanDerWaalsContact CD1-O 3.23Å; W466-F703 HydrophobicContact CG-CB 4.34Å; W466-F703 HydrophobicContact CG-CD1 4.25Å; W466-K711 HydrophobicContact CH2-CB 4.17Å; W466-K711 HydrophobicContact CH2-CG 4.48Å; W466-K711 HydrophobicContact CZ2-CB 4.5Å; W466-P714 HydrophobicContact CD2-CB 3.95Å; W466-P714 HydrophobicContact CD2-CG 4.36Å; W466-P714 HydrophobicContact CE3-CB 4.34Å; W466-P714 HydrophobicContact CG-CB 4.5Å; W466-P714 HydrophobicContact CH2-CB 4.12Å; W466-P714 HydrophobicContact CH2-CG 4.37Å; W466-P714 HydrophobicContact CZ2-CB 3.71Å; W466-P714 HydrophobicContact CZ2-CG 3.56Å; W466-P714 HydrophobicContact CZ3-CB 4.42Å; W466-I715 HydrophobicContact CH2-CD1 4.04Å; W466-I715 HydrophobicContact CH2-CG1 3.92Å; W466-I715 HydrophobicContact CZ3-CD1 4.08Å; W466-I715 HydrophobicContact CZ3-CG1 3.8Å
467	F	74.9	Confident	79.7	Confident	17 Å²	17	44 Å²	44	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-51	-178.2	-85.1	-65.8	0	0	0	113.1	L463 V465 D469 V470 I471 L641 L654	L463-F467 HydrophobicContact CB-CD2 4.17Å; L463-F467 HydrophobicContact CB-CE2 4.06Å; L463-F467 HydrophobicContact CD1-CE2 4.3Å; L463-F467 HydrophobicContact CD2-CD2 4.45Å; L463-F467 HydrophobicContact CD2-CE2 3.86Å; L463-F467 HydrophobicContact CD2-CZ 4.41Å; L463-F467 HydrophobicContact CG-CE2 4.3Å; L463-F467 VanDerWaalsContact O-CD2 3.28Å; L463-F467 WeakPolarHBondContact O-CD2 3.03Å; L463-F467 PolarHBondContact O-N 3.09Å; V465-F467 PolarHBondContact O-N 3.39Å; F467-D469 PolarHBondContact O-N 2.65Å; F467-V470 PolarHBondContact O-N 3.35Å; F467-I471 VanDerWaalsContact O-CG1 3.3Å; F467-I471 WeakPolarHBondContact O-CG1 3.27Å; F467-I471 PolarHBondContact O-N 3.34Å; F467-L641 HydrophobicContact CE2-CD1 4.13Å; F467-L641 HydrophobicContact CZ-CD1 3.68Å; F467-L654 HydrophobicContact CD2-CD1 3.69Å; F467-L654 HydrophobicContact CE2-CD1 3.8Å; F467-L654 HydrophobicContact CG-CD1 4.27Å; F467-L654 HydrophobicContact CZ-CD1 4.45Å
468	P	71.3	Confident	78.9	Confident	73 Å²	73	48.9 Å²	48.9	47%	0.474	26%	0.258	S	S	.	.	H	α-helix	trans	-55.3	-45.1	171.7	-28.4	35.3	0	0	0	114	S464 V465 I471 K472	S464-P468 WeakPolarHBondContact O-CD 3.36Å; S464-P468 WeakPolarHBondContact O-CG 3.49Å; V465-P468 WeakPolarHBondContact O-CD 3.32Å; P468-I471 PolarHBondContact O-N 3.47Å; P468-K472 WeakPolarHBondContact O-CB 3.36Å; P468-K472 PolarHBondContact O-N 2.52Å
469	D	72.8	Confident	78.1	Confident	62 Å²	62	52.1 Å²	52.1	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-68.9	-35.3	-178.5	-81.5	-28.2	0	0	0	112.8	V465 W466 F467 K472 H473 V707	V465-D469 PolarHBondContact O-N 3.32Å; W466-D469 PolarHBondContact O-N 3.05Å; F467-D469 PolarHBondContact O-N 2.65Å; D469-K472 PolarHBondContact O-N 3.43Å; D469-H473 WeakPolarHBondContact O-CB 3.44Å; D469-H473 PolarHBondContact O-N 3.17Å; D469-V707 HydrophobicContact CB-CG1 4.45Å; D469-V707 HydrophobicContact CB-CG2 4.02Å
470	V	76.4	Confident	77.4	Confident	11 Å²	11	55 Å²	55	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-40.5	170.9	168.2	0	0	0	0	111.6	W466 F467 H473 L474 V707	W466-V470 HydrophobicContact CD2-CG2 3.81Å; W466-V470 HydrophobicContact CE3-CG2 4.41Å; W466-V470 HydrophobicContact CG-CG2 4.2Å; W466-V470 HydrophobicContact CH2-CG2 4.3Å; W466-V470 HydrophobicContact CZ2-CG2 3.66Å; W466-V470 WeakPolarHBondContact O-CB 3.3Å; W466-V470 WeakPolarHBondContact O-CG2 3.48Å; W466-V470 PolarHBondContact O-N 3.16Å; F467-V470 PolarHBondContact O-N 3.35Å; V470-H473 PolarHBondContact O-N 3.39Å; V470-L474 HydrophobicContact CG1-CD1 3.72Å; V470-L474 HydrophobicContact CG1-CG 4.33Å; V470-L474 WeakPolarHBondContact O-CB 3.39Å; V470-L474 WeakPolarHBondContact O-CD1 3.17Å; V470-L474 WeakPolarHBondContact O-CG 3.45Å; V470-L474 PolarHBondContact O-N 3.17Å; V470-V707 HydrophobicContact CG2-CB 4.36Å; V470-V707 HydrophobicContact CG2-CG1 3.93Å; V470-V707 HydrophobicContact CG2-CG2 4.31Å
471	I	71.9	Confident	76.9	Confident	73 Å²	73	58.8 Å²	58.8	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-45.1	175.6	-69.2	164.4	0	0	0	110	F467 P468 L474 Q475	F467-I471 VanDerWaalsContact O-CG1 3.3Å; F467-I471 WeakPolarHBondContact O-CG1 3.27Å; F467-I471 PolarHBondContact O-N 3.34Å; P468-I471 PolarHBondContact O-N 3.47Å; I471-L474 PolarHBondContact O-N 2.86Å; I471-Q475 WeakPolarHBondContact O-CB 3.32Å; I471-Q475 VanDerWaalsContact O-CG 3.29Å; I471-Q475 WeakPolarHBondContact O-CG 3.27Å; I471-Q475 PolarHBondContact O-N 3.12Å
472	K	70.9	Confident	76.7	Confident	138 Å²	138	64 Å²	64	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-61.6	-41.4	176.1	-175.4	-179.4	176.8	-174.6	0	112.4	P468 D469 Q475 A476	P468-K472 WeakPolarHBondContact O-CB 3.36Å; P468-K472 PolarHBondContact O-N 2.52Å; D469-K472 PolarHBondContact O-N 3.43Å; K472-Q475 PolarHBondContact O-N 2.82Å; K472-A476 WeakPolarHBondContact O-CB 3.17Å; K472-A476 PolarHBondContact O-N 3.33Å
473	H	75	Confident	76.7	Confident	77 Å²	77	66 Å²	66	36%	0.356	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-48.1	175.3	-166.6	-55.6	0	0	0	111.3	D469 V470 Q475 A476 D477 V707	D469-H473 WeakPolarHBondContact O-CB 3.44Å; D469-H473 PolarHBondContact O-N 3.17Å; V470-H473 PolarHBondContact O-N 3.39Å; H473-Q475 VanDerWaalsContact C-N 3.32Å; H473-Q475 PolarHBondContact O-N 3.47Å; H473-A476 WeakPolarHBondContact O-CB 3.31Å; H473-A476 PolarHBondContact O-N 3.36Å; H473-A476 VanDerWaalsContact O-N 3.09Å; H473-D477 IonicContact CE1-OD1 2.83Å; H473-D477 PolarHBondContact CE1-OD1 3.27Å; H473-D477 IonicContact CE1-OD2 3.05Å; H473-D477 PolarHBondContact CE1-OD2 2.9Å; H473-D477 VanDerWaalsContact CE1-OD2 3.32Å; H473-D477 IonicContact ND1-OD1 2.82Å; H473-D477 IonicContact ND1-OD2 4Å; H473-D477 PolarHBondContact ND1-OD2 3.49Å; H473-D477 VanDerWaalsContact O-CG 3.29Å; H473-D477 PolarHBondContact O-N 3.47Å; H473-V707 HydrophobicContact CB-CG1 3.92Å
474	L	74	Confident	76.8	Confident	71 Å²	71	71.1 Å²	71.1	37%	0.372	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-36.6	178.7	-67.4	164.5	0	0	0	112.3	V470 I471 D477 E478 K711	V470-L474 HydrophobicContact CG1-CD1 3.72Å; V470-L474 HydrophobicContact CG1-CG 4.33Å; V470-L474 WeakPolarHBondContact O-CB 3.39Å; V470-L474 WeakPolarHBondContact O-CD1 3.17Å; V470-L474 WeakPolarHBondContact O-CG 3.45Å; V470-L474 PolarHBondContact O-N 3.17Å; I471-L474 PolarHBondContact O-N 2.86Å; L474-D477 PolarHBondContact O-N 3.14Å; L474-E478 WeakPolarHBondContact O-CB 3.31Å; L474-E478 PolarHBondContact O-N 2.96Å; L474-K711 VanDerWaalsContact CD1-NZ 3.3Å
475	Q	71.8	Confident	77.2	Confident	122 Å²	122	73.4 Å²	73.4	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-65.8	-38.5	172.4	-75.1	173.5	-8.1	0	0	111.8	I471 K472 H473 Y479	I471-Q475 WeakPolarHBondContact O-CB 3.32Å; I471-Q475 VanDerWaalsContact O-CG 3.29Å; I471-Q475 WeakPolarHBondContact O-CG 3.27Å; I471-Q475 PolarHBondContact O-N 3.12Å; K472-Q475 PolarHBondContact O-N 2.82Å; H473-Q475 VanDerWaalsContact C-N 3.32Å; H473-Q475 PolarHBondContact O-N 3.47Å; Q475-Y479 VanDerWaalsContact O-CB 3.24Å; Q475-Y479 WeakPolarHBondContact O-CB 3.33Å; Q475-Y479 PolarHBondContact O-N 3.25Å
476	A	73.3	Confident	77.8	Confident	57 Å²	57	73.4 Å²	73.4	47%	0.471	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-40.9	174.7	0	0	0	0	0	112.2	K472 H473 Y479 A480	K472-A476 WeakPolarHBondContact O-CB 3.17Å; K472-A476 PolarHBondContact O-N 3.33Å; H473-A476 WeakPolarHBondContact O-CB 3.31Å; H473-A476 PolarHBondContact O-N 3.36Å; H473-A476 VanDerWaalsContact O-N 3.09Å; A476-Y479 PolarHBondContact O-N 3.24Å; A476-A480 VanDerWaalsContact O-CB 3.32Å; A476-A480 WeakPolarHBondContact O-CB 3.48Å; A476-A480 PolarHBondContact O-N 3.09Å
477	D	78.5	Confident	78.1	Confident	80 Å²	80	78.2 Å²	78.2	43%	0.428	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-44.9	173.5	-64.2	-42.8	0	0	0	111.2	H473 L474 A480 S481	H473-D477 IonicContact CE1-OD1 2.83Å; H473-D477 PolarHBondContact CE1-OD1 3.27Å; H473-D477 IonicContact CE1-OD2 3.05Å; H473-D477 PolarHBondContact CE1-OD2 2.9Å; H473-D477 VanDerWaalsContact CE1-OD2 3.32Å; H473-D477 IonicContact ND1-OD1 2.82Å; H473-D477 IonicContact ND1-OD2 4Å; H473-D477 PolarHBondContact ND1-OD2 3.49Å; H473-D477 VanDerWaalsContact O-CG 3.29Å; H473-D477 PolarHBondContact O-N 3.47Å; L474-D477 PolarHBondContact O-N 3.14Å; D477-A480 PolarHBondContact O-N 3.29Å; D477-S481 WeakPolarHBondContact O-CB 3.48Å; D477-S481 PolarHBondContact O-N 3.44Å
478	E	77.2	Confident	78.7	Confident	101 Å²	101	82.6 Å²	82.6	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-65.9	-39.9	178.2	-169.9	-175.8	172.2	0	0	111.3	L474 S481 K482	L474-E478 WeakPolarHBondContact O-CB 3.31Å; L474-E478 PolarHBondContact O-N 2.96Å; E478-S481 PolarHBondContact O-N 2.94Å; E478-S481 PolarHBondContact O-OG 3.36Å; E478-K482 VanDerWaalsContact CD-NZ 3.34Å; E478-K482 HydrophobicContact CG-CD 4.49Å; E478-K482 WeakPolarHBondContact O-CG 3.31Å; E478-K482 PolarHBondContact O-N 3.45Å; E478-K482 WeakPolarHBondContact OE1-CE 3.44Å; E478-K482 IonicContact OE1-NZ 3.59Å; E478-K482 PolarHBondContact OE1-NZ 3.11Å
479	Y	75.3	Confident	79.5	Confident	85 Å²	85	81.6 Å²	81.6	33%	0.333	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-49.4	173.4	-172.6	-93.9	0	0	0	110.8	Q475 A476 S481 K482 N502	Q475-Y479 VanDerWaalsContact O-CB 3.24Å; Q475-Y479 WeakPolarHBondContact O-CB 3.33Å; Q475-Y479 PolarHBondContact O-N 3.25Å; A476-Y479 PolarHBondContact O-N 3.24Å; Y479-S481 VanDerWaalsContact C-N 3.26Å; Y479-S481 PolarHBondContact O-N 2.92Å; Y479-K482 PolarHBondContact O-N 2.96Å; Y479-N502 WeakPolarHBondContact CD1-OD1 3.45Å; Y479-N502 HydrophobicContact CE1-CB 3.87Å; Y479-N502 VanDerWaalsContact CE1-CG 3.44Å; Y479-N502 WeakPolarHBondContact CE1-OD1 3.23Å; Y479-N502 HydrophobicContact CE2-CB 4.14Å; Y479-N502 PolarHBondContact O-ND2 2.82Å
480	A	76.4	Confident	80.4	Confident	61 Å²	61	85.8 Å²	85.8	50%	0.504	44%	0.435	S	S	.	.	H	α-helix	trans	-59.7	-33.9	175.6	0	0	0	0	0	112.9	A476 D477 K482 V483	A476-A480 VanDerWaalsContact O-CB 3.32Å; A476-A480 WeakPolarHBondContact O-CB 3.48Å; A476-A480 PolarHBondContact O-N 3.09Å; D477-A480 PolarHBondContact O-N 3.29Å; A480-K482 PolarHBondContact O-N 3.24Å; A480-V483 WeakPolarHBondContact O-CG2 3.16Å; A480-V483 PolarHBondContact O-N 3.22Å
481	S	79.6	Confident	81	Confident	92 Å²	92	87.2 Å²	87.2	64%	0.643	44%	0.442	S	S	*	.	H	α-helix	trans	-67.7	-20	175.8	82	0	0	0	0	113.9	D477 E478 Y479	D477-S481 WeakPolarHBondContact O-CB 3.48Å; D477-S481 PolarHBondContact O-N 3.44Å; E478-S481 PolarHBondContact O-N 2.94Å; E478-S481 PolarHBondContact O-OG 3.36Å; Y479-S481 VanDerWaalsContact C-N 3.26Å; Y479-S481 PolarHBondContact O-N 2.92Å
482	K	82.9	Confident	81.9	Confident	121 Å²	121	88.7 Å²	88.7	53%	0.526	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	10.2	-179.3	-67.2	169.8	-174.9	171.1	0	113.5	E478 Y479 A480 Q484 N502	E478-K482 VanDerWaalsContact CD-NZ 3.34Å; E478-K482 HydrophobicContact CG-CD 4.49Å; E478-K482 WeakPolarHBondContact O-CG 3.31Å; E478-K482 PolarHBondContact O-N 3.45Å; E478-K482 WeakPolarHBondContact OE1-CE 3.44Å; E478-K482 IonicContact OE1-NZ 3.59Å; E478-K482 PolarHBondContact OE1-NZ 3.11Å; Y479-K482 PolarHBondContact O-N 2.96Å; A480-K482 PolarHBondContact O-N 3.24Å; K482-Q484 PolarHBondContact O-N 3.29Å; K482-N502 VanDerWaalsContact C-ND2 3.27Å; K482-N502 PolarHBondContact O-ND2 3.21Å
483	V	85.6	Confident	82.8	Confident	44 Å²	44	84.8 Å²	84.8	27%	0.267	45%	0.446	S	S	.	.			trans	-59.7	127.4	178.7	168	0	0	0	0	110.7	A480 I485 N502 I504	A480-V483 WeakPolarHBondContact O-CG2 3.16Å; A480-V483 PolarHBondContact O-N 3.22Å; V483-I485 HydrophobicContact CG1-CG1 3.97Å; V483-N502 WeakPolarHBondContact CA-O 3.32Å; V483-N502 WeakPolarHBondContact CG2-OD1 3.49Å; V483-N502 PolarHBondContact N-ND2 3.4Å; V483-I504 HydrophobicContact CG1-CB 4.44Å; V483-I504 HydrophobicContact CG1-CD1 3.73Å; V483-I504 HydrophobicContact CG1-CG1 3.73Å
484	Q	86.1	Confident	83.6	Confident	106 Å²	106	85.6 Å²	85.6	50%	0.495	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116	173.4	-64.5	-176.9	-6.6	0	0	109.6	K482 N502 Q503 I504	K482-Q484 PolarHBondContact O-N 3.29Å; Q484-N502 PolarHBondContact N-O 2.98Å; Q484-Q503 HydrophobicContact CB-CG 4.39Å; Q484-Q503 CarbonylContact O-C 3.6Å; Q484-Q503 VanDerWaalsContact O-CA 3.31Å; Q484-Q503 WeakPolarHBondContact O-CA 3.28Å; Q484-I504 PolarHBondContact O-N 3.01Å
485	I	88.4	Confident	84.4	Confident	95 Å²	95	85.2 Å²	85.2	49%	0.487	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.1	178.7	-52.1	179.9	0	0	0	109.1	V483 I487 I504	V483-I485 HydrophobicContact CG1-CG1 3.97Å; I485-I487 HydrophobicContact CG2-CD1 4.13Å; I485-I487 HydrophobicContact CG2-CG1 3.94Å; I485-I504 CarbonylContact C-O 3.59Å; I485-I504 WeakPolarHBondContact CA-O 3.33Å; I485-I504 HydrophobicContact CG1-CB 4.5Å
486	H	88.3	Confident	85.3	Confident	52 Å²	52	80.1 Å²	80.1	24%	0.241	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.3	175.1	-55.4	110.4	0	0	0	109.9	E489 Q503 I504 H505 R506	H486-E489 HydrophobicContact CB-CG 4.03Å; H486-E489 VanDerWaalsContact CB-OE2 3.24Å; H486-E489 WeakPolarHBondContact CB-OE2 3.48Å; H486-E489 IonicContact CD2-OE1 3.73Å; H486-E489 IonicContact CG-OE1 2.61Å; H486-E489 IonicContact CG-OE2 3.78Å; H486-Q503 PolarHBondContact CE1-OE1 2.91Å; H486-Q503 VanDerWaalsContact CE1-OE1 3.32Å; H486-I504 PolarHBondContact N-O 3.38Å; H486-H505 AromaticContact CG-ND1 3.97Å; H486-H505 AromaticContact ND1-CE1 3.38Å; H486-H505 PolarHBondContact ND1-CE1 3.1Å; H486-H505 AromaticContact ND1-ND1 3.66Å; H486-H505 WeakPolarHBondContact O-CA 3.41Å; H486-R506 PolarHBondContact O-N 3.03Å
487	I	89.3	Confident	86	Confident	104 Å²	104	83 Å²	83	53%	0.533	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.4	-170.1	-52.6	177.9	0	0	0	109.9	I485 E489 R506	I485-I487 HydrophobicContact CG2-CD1 4.13Å; I485-I487 HydrophobicContact CG2-CG1 3.94Å; I487-E489 VanDerWaalsContact C-N 3.26Å; I487-E489 PolarHBondContact O-N 2.62Å; I487-R506 WeakPolarHBondContact CA-O 3.34Å; I487-R506 HydrophobicContact CG1-CB 4.46Å
488	N	88.1	Confident	86.4	Confident	109 Å²	109	83.7 Å²	83.7	58%	0.583	43%	0.432	S	S	*	.	S	Bend	trans	57.9	34.4	178.9	-56.6	-25.2	0	0	0	113.6	R506 N507	N488-R506 PolarHBondContact N-O 2.9Å; N488-N507 WeakPolarHBondContact CA-O 3.41Å; N488-N507 PolarHBondContact OD1-ND2 2.69Å
489	E	87.4	Confident	86.7	Confident	52 Å²	52	81.7 Å²	81.7	24%	0.243	43%	0.426	C	S	.	.			trans	-69	144.2	176.1	-66.5	-172.9	123.4	0	0	111.4	H486 I487 H505 G508 T509	H486-E489 HydrophobicContact CB-CG 4.03Å; H486-E489 VanDerWaalsContact CB-OE2 3.24Å; H486-E489 WeakPolarHBondContact CB-OE2 3.48Å; H486-E489 IonicContact CD2-OE1 3.73Å; H486-E489 IonicContact CG-OE1 2.61Å; H486-E489 IonicContact CG-OE2 3.78Å; I487-E489 VanDerWaalsContact C-N 3.26Å; I487-E489 PolarHBondContact O-N 2.62Å; E489-H505 IonicContact OE2-CE1 2.74Å; E489-H505 IonicContact OE2-CG 3.48Å; E489-H505 IonicContact OE2-ND1 3.35Å; E489-H505 PolarHBondContact OE2-ND1 3.11Å; E489-G508 CarbonylContact O-C 3.59Å; E489-G508 WeakPolarHBondContact O-CA 3.31Å; E489-T509 PolarHBondContact O-N 3.22Å; E489-T509 PolarHBondContact O-OG1 3.38Å; E489-T509 VanDerWaalsContact O-OG1 3.13Å
490	R	91.1	Very high	87.3	Confident	151 Å²	151	78 Å²	78	57%	0.57	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	105	171.5	-173.4	168.8	-175.6	-72.4	-10.7	108.9	E492 T509	R490-E492 VanDerWaalsContact CZ-CD 3.45Å; R490-E492 IonicContact CZ-OE1 2.68Å; R490-E492 IonicContact CZ-OE2 3.4Å; R490-E492 IonicContact NH1-OE1 3.88Å; R490-E492 IonicContact NH1-OE2 2.68Å; R490-E492 PolarHBondContact NH1-OE2 2.95Å; R490-E492 IonicContact NH2-OE1 3.5Å; R490-E492 PolarHBondContact NH2-OE1 3.16Å; R490-E492 IonicContact NH2-OE2 3.35Å; R490-E492 PolarHBondContact NH2-OE2 2.9Å; R490-T509 WeakPolarHBondContact CA-O 3.45Å; R490-T509 WeakPolarHBondContact CB-OG1 3.47Å; R490-T509 WeakPolarHBondContact CG-OG1 3.49Å
491	I	89.7	Confident	87.7	Confident	41 Å²	41	78.9 Å²	78.9	21%	0.21	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.6	-177.3	-56.5	-176.9	0	0	0	107.2	F494 F496 T509 F510 I511	I491-F494 HydrophobicContact CG2-CB 3.6Å; I491-F494 HydrophobicContact CG2-CG 4.36Å; I491-F496 HydrophobicContact CD1-CZ 3.99Å; I491-F496 HydrophobicContact CG2-CZ 4.42Å; I491-T509 PolarHBondContact N-O 3.01Å; I491-F510 HydrophobicContact CB-CD1 4.23Å; I491-F510 HydrophobicContact CD1-CD1 4.5Å; I491-F510 HydrophobicContact CD1-CE1 3.97Å; I491-I511 PolarHBondContact O-N 3.4Å
492	E	91.4	Very high	88	Confident	104 Å²	104	75.3 Å²	75.3	49%	0.486	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.3	179.5	-56.4	-167.6	109.2	0	0	111	R490 F494 I511	R490-E492 VanDerWaalsContact CZ-CD 3.45Å; R490-E492 IonicContact CZ-OE1 2.68Å; R490-E492 IonicContact CZ-OE2 3.4Å; R490-E492 IonicContact NH1-OE1 3.88Å; R490-E492 IonicContact NH1-OE2 2.68Å; R490-E492 PolarHBondContact NH1-OE2 2.95Å; R490-E492 IonicContact NH2-OE1 3.5Å; R490-E492 PolarHBondContact NH2-OE1 3.16Å; R490-E492 IonicContact NH2-OE2 3.35Å; R490-E492 PolarHBondContact NH2-OE2 2.9Å; E492-F494 VanDerWaalsContact C-N 3.3Å; E492-F494 PolarHBondContact O-N 3.25Å; E492-I511 CarbonylContact C-O 3.54Å; E492-I511 VanDerWaalsContact CA-O 3.26Å; E492-I511 WeakPolarHBondContact CA-O 3.36Å; E492-I511 HydrophobicContact CG-CB 4.15Å; E492-I511 HydrophobicContact CG-CD1 4.48Å
493	G	89	Confident	88.3	Confident	55 Å²	55	70.8 Å²	70.8	57%	0.567	36%	0.361	S	S	*	.	S	Bend	trans	64.3	26.2	174.2	0	0	0	0	0	115.3	I511 D513	G493-I511 PolarHBondContact N-O 3.03Å; G493-D513 PolarHBondContact N-OD1 3.42Å
494	F	91.3	Very high	88.5	Confident	94 Å²	94	70.4 Å²	70.4	41%	0.412	36%	0.357	S	S	.	.			trans	-93.6	141.5	179.4	-170.6	-98	0	0	0	112.2	I491 E492 F496 F498 D513 Q514	I491-F494 HydrophobicContact CG2-CB 3.6Å; I491-F494 HydrophobicContact CG2-CG 4.36Å; E492-F494 VanDerWaalsContact C-N 3.3Å; E492-F494 PolarHBondContact O-N 3.25Å; F494-F496 AromaticContact CD1-CD1 3.85Å; F494-F496 HydrophobicContact CD1-CD1 3.85Å; F494-F496 AromaticContact CD1-CD2 3.74Å; F494-F496 HydrophobicContact CD1-CD2 3.74Å; F494-F496 AromaticContact CD1-CE1 3.83Å; F494-F496 HydrophobicContact CD1-CE1 3.83Å; F494-F496 AromaticContact CD1-CE2 3.71Å; F494-F496 HydrophobicContact CD1-CE2 3.71Å; F494-F496 AromaticContact CD1-CG 3.8Å; F494-F496 HydrophobicContact CD1-CG 3.8Å; F494-F496 AromaticContact CD1-CZ 3.76Å; F494-F496 HydrophobicContact CD1-CZ 3.76Å; F494-F496 AromaticContact CE1-CD1 3.66Å; F494-F496 HydrophobicContact CE1-CD1 3.66Å; F494-F496 HydrophobicContact CE1-CD2 4.33Å; F494-F496 AromaticContact CE1-CE1 3.85Å; F494-F496 HydrophobicContact CE1-CE1 3.85Å; F494-F496 HydrophobicContact CE1-CE2 4.5Å; F494-F496 AromaticContact CE1-CG 3.92Å; F494-F496 HydrophobicContact CE1-CG 3.92Å; F494-F496 HydrophobicContact CE1-CZ 4.27Å; F494-F498 HydrophobicContact CE1-CE1 4Å; F494-F498 HydrophobicContact CE1-CZ 4.45Å; F494-F498 HydrophobicContact CZ-CE1 4.18Å; F494-D513 PolarHBondContact N-OD1 2.89Å; F494-D513 WeakPolarHBondContact O-CA 3.35Å; F494-Q514 PolarHBondContact O-N 3.43Å
495	T	91.5	Very high	88.8	Confident	63 Å²	63	65.9 Å²	65.9	39%	0.387	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	105.2	173.8	-51.8	0	0	0	0	110.3	N497 Q514 V516	T495-N497 PolarHBondContact O-N 3.44Å; T495-Q514 CarbonylContact C-O 3.57Å; T495-Q514 WeakPolarHBondContact CA-O 3.45Å; T495-Q514 HydrophobicContact CG2-CB 4.18Å; T495-V516 HydrophobicContact CG2-CG2 4.4Å
496	F	90.1	Very high	88.9	Confident	16 Å²	16	66.8 Å²	66.8	7%	0.07	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	117.2	169.5	-62.3	-88.8	0	0	0	109.9	I491 F494 F498 L500 F510 D513 Q514 F515 V516 M518	I491-F496 HydrophobicContact CD1-CZ 3.99Å; I491-F496 HydrophobicContact CG2-CZ 4.42Å; F494-F496 AromaticContact CD1-CD1 3.85Å; F494-F496 HydrophobicContact CD1-CD1 3.85Å; F494-F496 AromaticContact CD1-CD2 3.74Å; F494-F496 HydrophobicContact CD1-CD2 3.74Å; F494-F496 AromaticContact CD1-CE1 3.83Å; F494-F496 HydrophobicContact CD1-CE1 3.83Å; F494-F496 AromaticContact CD1-CE2 3.71Å; F494-F496 HydrophobicContact CD1-CE2 3.71Å; F494-F496 AromaticContact CD1-CG 3.8Å; F494-F496 HydrophobicContact CD1-CG 3.8Å; F494-F496 AromaticContact CD1-CZ 3.76Å; F494-F496 HydrophobicContact CD1-CZ 3.76Å; F494-F496 AromaticContact CE1-CD1 3.66Å; F494-F496 HydrophobicContact CE1-CD1 3.66Å; F494-F496 HydrophobicContact CE1-CD2 4.33Å; F494-F496 AromaticContact CE1-CE1 3.85Å; F494-F496 HydrophobicContact CE1-CE1 3.85Å; F494-F496 HydrophobicContact CE1-CE2 4.5Å; F494-F496 AromaticContact CE1-CG 3.92Å; F494-F496 HydrophobicContact CE1-CG 3.92Å; F494-F496 HydrophobicContact CE1-CZ 4.27Å; F496-F498 HydrophobicContact CD1-CE1 4.24Å; F496-F498 AromaticContact CD1-CZ 3.98Å; F496-F498 HydrophobicContact CD1-CZ 3.98Å; F496-L500 HydrophobicContact CD1-CD1 4.48Å; F496-F510 HydrophobicContact CE2-CD1 4.42Å; F496-F510 HydrophobicContact CE2-CE1 4.46Å; F496-F510 HydrophobicContact CZ-CE1 4.23Å; F496-D513 HydrophobicContact CE2-CB 4.39Å; F496-Q514 PolarHBondContact N-O 3.42Å; F496-F515 HydrophobicContact CB-CD1 4.01Å; F496-F515 HydrophobicContact CB-CE1 4.48Å; F496-F515 AromaticContact CD2-CD1 3.62Å; F496-F515 HydrophobicContact CD2-CD1 3.62Å; F496-F515 AromaticContact CD2-CE1 3.33Å; F496-F515 HydrophobicContact CD2-CE1 3.33Å; F496-F515 HydrophobicContact CD2-CE2 4.33Å; F496-F515 HydrophobicContact CD2-CG 4.24Å; F496-F515 AromaticContact CD2-CZ 3.72Å; F496-F515 HydrophobicContact CD2-CZ 3.72Å; F496-F515 HydrophobicContact CE2-CD1 4.33Å; F496-F515 AromaticContact CE2-CE1 3.57Å; F496-F515 HydrophobicContact CE2-CE1 3.57Å; F496-F515 HydrophobicContact CE2-CE2 4.48Å; F496-F515 AromaticContact CE2-CZ 3.66Å; F496-F515 HydrophobicContact CE2-CZ 3.66Å; F496-F515 AromaticContact CG-CD1 3.97Å; F496-F515 HydrophobicContact CG-CD1 3.97Å; F496-F515 AromaticContact CG-CE1 3.94Å; F496-F515 HydrophobicContact CG-CE1 3.94Å; F496-F515 HydrophobicContact CZ-CE1 4.33Å; F496-V516 PolarHBondContact O-N 2.96Å; F496-M518 HydrophobicContact CB-CE 3.83Å; F496-M518 HydrophobicContact CB-SD 3.37Å; F496-M518 WeakPolarHBondContact CB-SD 3.28Å; F496-M518 HydrophobicContact CG-SD 4.45Å
497	N	88.7	Confident	89.1	Confident	117 Å²	117	68.5 Å²	68.5	63%	0.626	34%	0.344	S	S	*	.			trans	-130.8	22	-179.7	66.8	-5.6	0	0	0	112.7	T495	T495-N497 PolarHBondContact O-N 3.44Å
498	F	86.2	Confident	89.1	Confident	95 Å²	95	63.6 Å²	63.6	42%	0.417	32%	0.319	S	S	.	.	S	Bend	trans	-136.8	152.6	-176.9	58.4	-89.8	0	0	0	110.3	F494 F496 L500 M518	F494-F498 HydrophobicContact CE1-CE1 4Å; F494-F498 HydrophobicContact CE1-CZ 4.45Å; F494-F498 HydrophobicContact CZ-CE1 4.18Å; F496-F498 HydrophobicContact CD1-CE1 4.24Å; F496-F498 AromaticContact CD1-CZ 3.98Å; F496-F498 HydrophobicContact CD1-CZ 3.98Å; F498-L500 HydrophobicContact CD2-CD2 4.21Å; F498-L500 HydrophobicContact CE2-CD2 3.57Å; F498-L500 HydrophobicContact CZ-CD2 4.36Å; F498-L500 PolarHBondContact O-N 2.98Å; F498-M518 WeakPolarHBondContact O-CE 3.42Å
499	T	85.1	Confident	89.3	Confident	58 Å²	58	60.5 Å²	60.5	36%	0.356	30%	0.304	S	S	.	.			trans	-63.1	129.3	177.9	-54.1	0	0	0	0	111.2	E501 K519 K521	T499-E501 HydrophobicContact CG2-CG 3.42Å; T499-E501 VanDerWaalsContact CG2-CG 3.42Å; T499-K519 WeakPolarHBondContact CA-O 3.07Å; T499-K519 HydrophobicContact CG2-CB 4.14Å; T499-K519 WeakPolarHBondContact CG2-O 3.31Å; T499-K521 HydrophobicContact CG2-CG 4.37Å
500	L	86.6	Confident	89.6	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.4	164.5	-63.8	175.6	0	0	0	108.5	F496 F498 M518 K519 L520 K521 V523	F496-L500 HydrophobicContact CD1-CD1 4.48Å; F498-L500 HydrophobicContact CD2-CD2 4.21Å; F498-L500 HydrophobicContact CE2-CD2 3.57Å; F498-L500 HydrophobicContact CZ-CD2 4.36Å; F498-L500 PolarHBondContact O-N 2.98Å; L500-M518 HydrophobicContact CD1-CE 3.87Å; L500-M518 HydrophobicContact CG-CE 3.92Å; L500-K519 PolarHBondContact N-O 2.97Å; L500-L520 HydrophobicContact CB-CD2 4.01Å; L500-L520 HydrophobicContact CD1-CD2 3.9Å; L500-L520 HydrophobicContact CG-CD2 4.37Å; L500-K521 PolarHBondContact O-N 2.9Å; L500-V523 HydrophobicContact CB-CG2 3.82Å; L500-V523 VanDerWaalsContact O-CG2 3.29Å; L500-V523 WeakPolarHBondContact O-CG2 3.14Å
501	E	85.7	Confident	89.8	Confident	81 Å²	81	52.1 Å²	52.1	38%	0.379	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.2	179	-53.8	-163.5	167.6	0	0	110.7	T499 Q503 K521	T499-E501 HydrophobicContact CG2-CG 3.42Å; T499-E501 VanDerWaalsContact CG2-CG 3.42Å; E501-Q503 WeakPolarHBondContact O-CG 3.49Å; E501-K521 CarbonylContact C-O 3.44Å; E501-K521 WeakPolarHBondContact CA-O 3.28Å; E501-K521 HydrophobicContact CB-CB 4.37Å; E501-K521 HydrophobicContact CG-CB 4.08Å; E501-K521 HydrophobicContact CG-CD 4.11Å; E501-K521 HydrophobicContact CG-CG 4.28Å; E501-K521 VanDerWaalsContact OE1-CD 3.32Å; E501-K521 WeakPolarHBondContact OE1-CD 3.37Å; E501-K521 WeakPolarHBondContact OE1-CE 3.41Å; E501-K521 IonicContact OE1-NZ 3.36Å; E501-K521 PolarHBondContact OE1-NZ 3.08Å
502	N	85.1	Confident	89.9	Confident	16 Å²	16	55.5 Å²	55.5	9%	0.086	29%	0.287	C	S	.	.	S	Bend	trans	61.5	45.7	168.5	-155.6	35.2	0	0	0	115.3	Y479 K482 V483 Q484 K521	Y479-N502 WeakPolarHBondContact CD1-OD1 3.45Å; Y479-N502 HydrophobicContact CE1-CB 3.87Å; Y479-N502 VanDerWaalsContact CE1-CG 3.44Å; Y479-N502 WeakPolarHBondContact CE1-OD1 3.23Å; Y479-N502 HydrophobicContact CE2-CB 4.14Å; Y479-N502 PolarHBondContact O-ND2 2.82Å; K482-N502 VanDerWaalsContact C-ND2 3.27Å; K482-N502 PolarHBondContact O-ND2 3.21Å; V483-N502 WeakPolarHBondContact CA-O 3.32Å; V483-N502 WeakPolarHBondContact CG2-OD1 3.49Å; V483-N502 PolarHBondContact N-ND2 3.4Å; Q484-N502 PolarHBondContact N-O 2.98Å; N502-K521 PolarHBondContact N-O 3.35Å
503	Q	89.1	Confident	90	Very high	26 Å²	26	50.6 Å²	50.6	12%	0.121	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.3	-174.6	-46.8	-165.3	1.1	0	0	112.4	Q484 H486 E501 H505 V523 T524	Q484-Q503 HydrophobicContact CB-CG 4.39Å; Q484-Q503 CarbonylContact O-C 3.6Å; Q484-Q503 VanDerWaalsContact O-CA 3.31Å; Q484-Q503 WeakPolarHBondContact O-CA 3.28Å; H486-Q503 PolarHBondContact CE1-OE1 2.91Å; H486-Q503 VanDerWaalsContact CE1-OE1 3.32Å; E501-Q503 WeakPolarHBondContact O-CG 3.49Å; Q503-H505 PolarHBondContact OE1-CE1 3.48Å; Q503-H505 PolarHBondContact OE1-NE2 2.91Å; Q503-V523 HydrophobicContact CB-CG1 4.44Å; Q503-V523 CarbonylContact O-C 3.54Å; Q503-V523 VanDerWaalsContact O-CA 3.26Å; Q503-V523 WeakPolarHBondContact O-CA 3.44Å; Q503-T524 PolarHBondContact O-N 2.82Å
504	I	90.4	Very high	90.1	Very high	36 Å²	36	52 Å²	52	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112.4	172.4	-57.9	179.9	0	0	0	108.6	V483 Q484 I485 H486 R506 T524 I526	V483-I504 HydrophobicContact CG1-CB 4.44Å; V483-I504 HydrophobicContact CG1-CD1 3.73Å; V483-I504 HydrophobicContact CG1-CG1 3.73Å; Q484-I504 PolarHBondContact O-N 3.01Å; I485-I504 CarbonylContact C-O 3.59Å; I485-I504 WeakPolarHBondContact CA-O 3.33Å; I485-I504 HydrophobicContact CG1-CB 4.5Å; H486-I504 PolarHBondContact N-O 3.38Å; I504-R506 HydrophobicContact CG2-CG 4.03Å; I504-T524 CarbonylContact C-O 3.32Å; I504-T524 VanDerWaalsContact CA-O 3.3Å; I504-T524 WeakPolarHBondContact CA-O 3.37Å; I504-I526 HydrophobicContact CG2-CD1 3.87Å; I504-I526 HydrophobicContact CG2-CG1 4.35Å
505	H	91.8	Very high	90.2	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.7	176	-55.3	-96.3	0	0	0	108.9	H486 E489 Q503 T524 F525 I526	H486-H505 AromaticContact CG-ND1 3.97Å; H486-H505 AromaticContact ND1-CE1 3.38Å; H486-H505 PolarHBondContact ND1-CE1 3.1Å; H486-H505 AromaticContact ND1-ND1 3.66Å; H486-H505 WeakPolarHBondContact O-CA 3.41Å; E489-H505 IonicContact OE2-CE1 2.74Å; E489-H505 IonicContact OE2-CG 3.48Å; E489-H505 IonicContact OE2-ND1 3.35Å; E489-H505 PolarHBondContact OE2-ND1 3.11Å; Q503-H505 PolarHBondContact OE1-CE1 3.48Å; Q503-H505 PolarHBondContact OE1-NE2 2.91Å; H505-T524 PolarHBondContact N-O 3.2Å; H505-F525 HydrophobicContact CB-CD1 3.71Å; H505-F525 HydrophobicContact CB-CE1 3.94Å; H505-F525 AromaticContact CD2-CD1 3.98Å; H505-F525 AromaticContact CD2-CE1 3.49Å; H505-F525 VanDerWaalsContact CD2-CE1 3.49Å; H505-F525 WeakPolarHBondContact CD2-CE1 3.25Å; H505-F525 AromaticContact CD2-CZ 3.87Å; H505-F525 AromaticContact CG-CE1 3.73Å; H505-I526 PolarHBondContact O-N 2.89Å
506	R	91.8	Very high	90.2	Very high	115 Å²	115	46.8 Å²	46.8	43%	0.434	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131	-179.5	-60.6	-168.6	174.3	-170.6	-2.5	111.3	H486 I487 N488 I504 G508 I526	H486-R506 PolarHBondContact O-N 3.03Å; I487-R506 WeakPolarHBondContact CA-O 3.34Å; I487-R506 HydrophobicContact CG1-CB 4.46Å; N488-R506 PolarHBondContact N-O 2.9Å; I504-R506 HydrophobicContact CG2-CG 4.03Å; R506-G508 PolarHBondContact O-N 3.29Å; R506-I526 WeakPolarHBondContact CA-O 3.3Å; R506-I526 HydrophobicContact CG-CB 4.33Å; R506-I526 HydrophobicContact CG-CD1 4.41Å
507	N	91.3	Very high	89.9	Confident	88 Å²	88	51.5 Å²	51.5	47%	0.471	26%	0.257	S	S	.	.	S	Bend	trans	53.3	41	-179.5	-169.2	40.5	0	0	0	111.9	N488 I526 D527	N488-N507 WeakPolarHBondContact CA-O 3.41Å; N488-N507 PolarHBondContact OD1-ND2 2.69Å; N507-I526 PolarHBondContact N-O 3.44Å; N507-D527 WeakPolarHBondContact CA-O 3.47Å
508	G	90.2	Very high	89.8	Confident	1 Å²	1	46 Å²	46	1%	0.01	23%	0.227	C	C	.	.			trans	-83	144.6	179.6	0	0	0	0	0	111.7	E489 R506 S528 T529	E489-G508 CarbonylContact O-C 3.59Å; E489-G508 WeakPolarHBondContact O-CA 3.31Å; R506-G508 PolarHBondContact O-N 3.29Å; G508-S528 PolarHBondContact N-OG 3.47Å; G508-S528 VanDerWaalsContact N-OG 3.15Å; G508-S528 CarbonylContact O-C 3.55Å; G508-S528 VanDerWaalsContact O-CA 3.25Å; G508-S528 WeakPolarHBondContact O-CA 3.36Å; G508-S528 WeakPolarHBondContact O-CB 3.4Å; G508-T529 PolarHBondContact O-N 3.43Å
509	T	92.9	Very high	89.7	Confident	44 Å²	44	43.8 Å²	43.8	27%	0.27	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.5	174	39.5	0	0	0	0	110.4	E489 R490 I491 T529	E489-T509 PolarHBondContact O-N 3.22Å; E489-T509 PolarHBondContact O-OG1 3.38Å; E489-T509 VanDerWaalsContact O-OG1 3.13Å; R490-T509 WeakPolarHBondContact CA-O 3.45Å; R490-T509 WeakPolarHBondContact CB-OG1 3.47Å; R490-T509 WeakPolarHBondContact CG-OG1 3.49Å; I491-T509 PolarHBondContact N-O 3.01Å; T509-T529 WeakPolarHBondContact CA-O 3.11Å
510	F	93.8	Very high	89.6	Confident	3 Å²	3	41.1 Å²	41.1	1%	0.013	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127	-177.9	-61	-90.4	0	0	0	108.6	I491 F496 D513 F515 F525 T529 F530 R531	I491-F510 HydrophobicContact CB-CD1 4.23Å; I491-F510 HydrophobicContact CD1-CD1 4.5Å; I491-F510 HydrophobicContact CD1-CE1 3.97Å; F496-F510 HydrophobicContact CE2-CD1 4.42Å; F496-F510 HydrophobicContact CE2-CE1 4.46Å; F496-F510 HydrophobicContact CZ-CE1 4.23Å; F510-D513 VanDerWaalsContact C-OD2 3.28Å; F510-D513 WeakPolarHBondContact CA-OD2 3.48Å; F510-D513 VanDerWaalsContact CB-OD2 3.26Å; F510-D513 WeakPolarHBondContact CB-OD2 3.39Å; F510-F515 HydrophobicContact CD1-CZ 4.04Å; F510-F515 HydrophobicContact CE1-CZ 4.44Å; F510-F525 HydrophobicContact CE2-CD1 4.14Å; F510-F525 HydrophobicContact CE2-CE1 4.03Å; F510-F525 HydrophobicContact CZ-CD1 4.34Å; F510-F525 AromaticContact CZ-CE1 3.8Å; F510-F525 HydrophobicContact CZ-CE1 3.8Å; F510-T529 PolarHBondContact N-O 2.95Å; F510-F530 HydrophobicContact CB-CD1 3.59Å; F510-F530 HydrophobicContact CB-CE1 4.05Å; F510-F530 HydrophobicContact CB-CG 4.33Å; F510-F530 HydrophobicContact CD1-CE1 4.31Å; F510-F530 AromaticContact CD2-CD1 3.75Å; F510-F530 HydrophobicContact CD2-CD1 3.75Å; F510-F530 AromaticContact CD2-CE1 3.42Å; F510-F530 HydrophobicContact CD2-CE1 3.42Å; F510-F530 VanDerWaalsContact CD2-CE1 3.42Å; F510-F530 HydrophobicContact CD2-CE2 4.48Å; F510-F530 HydrophobicContact CD2-CG 4.4Å; F510-F530 AromaticContact CD2-CZ 3.84Å; F510-F530 HydrophobicContact CD2-CZ 3.84Å; F510-F530 AromaticContact CE2-CE1 3.9Å; F510-F530 HydrophobicContact CE2-CE1 3.9Å; F510-F530 HydrophobicContact CE2-CZ 4Å; F510-F530 AromaticContact CG-CD1 3.76Å; F510-F530 HydrophobicContact CG-CD1 3.76Å; F510-F530 AromaticContact CG-CE1 3.67Å; F510-F530 HydrophobicContact CG-CE1 3.67Å; F510-F530 CarbonylContact O-C 3.47Å; F510-F530 WeakPolarHBondContact O-CA 3.44Å; F510-R531 PolarHBondContact O-N 3.04Å
511	I	93.6	Very high	89.3	Confident	24 Å²	24	42.2 Å²	42.2	12%	0.123	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	115.9	-169.5	-44.9	-178.4	0	0	0	111	I491 E492 G493 D513 R531	I491-I511 PolarHBondContact O-N 3.4Å; E492-I511 CarbonylContact C-O 3.54Å; E492-I511 VanDerWaalsContact CA-O 3.26Å; E492-I511 WeakPolarHBondContact CA-O 3.36Å; E492-I511 HydrophobicContact CG-CB 4.15Å; E492-I511 HydrophobicContact CG-CD1 4.48Å; G493-I511 PolarHBondContact N-O 3.03Å; I511-D513 PolarHBondContact N-OD2 2.86Å; I511-D513 PolarHBondContact O-N 3.39Å; I511-R531 CarbonylContact C-O 3.43Å; I511-R531 WeakPolarHBondContact CA-O 3.26Å; I511-R531 HydrophobicContact CG2-CB 4.3Å
512	H	93.1	Very high	89.1	Confident	112 Å²	112	40.7 Å²	40.7	52%	0.519	20%	0.204	S	C	.	.	S	Bend	trans	60.3	19	-171.2	-48.9	106.7	0	0	0	114.7	R531 Y532	H512-R531 PolarHBondContact N-O 3.24Å; H512-Y532 AromaticContact CD2-CD2 3.98Å; H512-Y532 AromaticContact NE2-CD2 3.56Å; H512-Y532 AromaticContact NE2-CG 3.97Å
513	D	92.3	Very high	89.2	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.			trans	-78.4	146.6	-179.7	-59.6	-50.2	0	0	0	112.6	G493 F494 F496 F510 I511 F515 C533 T534	G493-D513 PolarHBondContact N-OD1 3.42Å; F494-D513 PolarHBondContact N-OD1 2.89Å; F494-D513 WeakPolarHBondContact O-CA 3.35Å; F496-D513 HydrophobicContact CE2-CB 4.39Å; F510-D513 VanDerWaalsContact C-OD2 3.28Å; F510-D513 WeakPolarHBondContact CA-OD2 3.48Å; F510-D513 VanDerWaalsContact CB-OD2 3.26Å; F510-D513 WeakPolarHBondContact CB-OD2 3.39Å; I511-D513 PolarHBondContact N-OD2 2.86Å; I511-D513 PolarHBondContact O-N 3.39Å; D513-F515 HydrophobicContact CB-CE2 3.96Å; D513-F515 HydrophobicContact CB-CZ 4.4Å; D513-C533 WeakPolarHBondContact O-CA 3.42Å; D513-C533 WeakPolarHBondContact O-CB 3.36Å; D513-T534 PolarHBondContact O-N 2.77Å; D513-T534 VanDerWaalsContact O-N 3.08Å
514	Q	92.3	Very high	89.2	Confident	86 Å²	86	40 Å²	40	40%	0.402	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.5	-176.7	-56.2	-169.2	-34.4	0	0	110.6	F494 T495 F496 V516 T534	F494-Q514 PolarHBondContact O-N 3.43Å; T495-Q514 CarbonylContact C-O 3.57Å; T495-Q514 WeakPolarHBondContact CA-O 3.45Å; T495-Q514 HydrophobicContact CG2-CB 4.18Å; F496-Q514 PolarHBondContact N-O 3.42Å; Q514-V516 HydrophobicContact CB-CG2 4.06Å; Q514-T534 WeakPolarHBondContact CG-OG1 3.48Å
515	F	92.5	Very high	89.3	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	101.7	178.7	-60.7	-97.2	0	0	0	107.4	F496 F510 D513 M518 F530 C533 T534 F535 D536 V538	F496-F515 HydrophobicContact CB-CD1 4.01Å; F496-F515 HydrophobicContact CB-CE1 4.48Å; F496-F515 AromaticContact CD2-CD1 3.62Å; F496-F515 HydrophobicContact CD2-CD1 3.62Å; F496-F515 AromaticContact CD2-CE1 3.33Å; F496-F515 HydrophobicContact CD2-CE1 3.33Å; F496-F515 HydrophobicContact CD2-CE2 4.33Å; F496-F515 HydrophobicContact CD2-CG 4.24Å; F496-F515 AromaticContact CD2-CZ 3.72Å; F496-F515 HydrophobicContact CD2-CZ 3.72Å; F496-F515 HydrophobicContact CE2-CD1 4.33Å; F496-F515 AromaticContact CE2-CE1 3.57Å; F496-F515 HydrophobicContact CE2-CE1 3.57Å; F496-F515 HydrophobicContact CE2-CE2 4.48Å; F496-F515 AromaticContact CE2-CZ 3.66Å; F496-F515 HydrophobicContact CE2-CZ 3.66Å; F496-F515 AromaticContact CG-CD1 3.97Å; F496-F515 HydrophobicContact CG-CD1 3.97Å; F496-F515 AromaticContact CG-CE1 3.94Å; F496-F515 HydrophobicContact CG-CE1 3.94Å; F496-F515 HydrophobicContact CZ-CE1 4.33Å; F510-F515 HydrophobicContact CD1-CZ 4.04Å; F510-F515 HydrophobicContact CE1-CZ 4.44Å; D513-F515 HydrophobicContact CB-CE2 3.96Å; D513-F515 HydrophobicContact CB-CZ 4.4Å; F515-M518 HydrophobicContact CB-CG 4.42Å; F515-M518 HydrophobicContact CB-SD 3.57Å; F515-M518 VanDerWaalsContact CB-SD 3.57Å; F515-M518 HydrophobicContact CD1-CE 4.11Å; F515-M518 HydrophobicContact CD1-SD 3.64Å; F515-M518 HydrophobicContact CG-SD 4.08Å; F515-F530 HydrophobicContact CE2-CD1 4.3Å; F515-F530 HydrophobicContact CE2-CE1 4.34Å; F515-F530 HydrophobicContact CZ-CD1 4.35Å; F515-F530 AromaticContact CZ-CE1 3.97Å; F515-F530 HydrophobicContact CZ-CE1 3.97Å; F515-C533 HydrophobicContact CE2-CB 4.38Å; F515-T534 PolarHBondContact N-O 3.19Å; F515-F535 HydrophobicContact CB-CD1 3.6Å; F515-F535 HydrophobicContact CB-CE1 3.95Å; F515-F535 HydrophobicContact CB-CG 4.2Å; F515-F535 HydrophobicContact CD1-CD1 4.49Å; F515-F535 AromaticContact CD1-CE1 3.98Å; F515-F535 HydrophobicContact CD1-CE1 3.98Å; F515-F535 AromaticContact CD2-CD1 3.94Å; F515-F535 HydrophobicContact CD2-CD1 3.94Å; F515-F535 HydrophobicContact CD2-CD2 4.43Å; F515-F535 AromaticContact CD2-CE1 3.57Å; F515-F535 HydrophobicContact CD2-CE1 3.57Å; F515-F535 HydrophobicContact CD2-CE2 4.11Å; F515-F535 HydrophobicContact CD2-CG 4.35Å; F515-F535 AromaticContact CD2-CZ 3.66Å; F515-F535 HydrophobicContact CD2-CZ 3.66Å; F515-F535 HydrophobicContact CE1-CE1 4.4Å; F515-F535 HydrophobicContact CE2-CE1 4.04Å; F515-F535 HydrophobicContact CE2-CE2 4.36Å; F515-F535 AromaticContact CE2-CZ 3.78Å; F515-F535 HydrophobicContact CE2-CZ 3.78Å; F515-F535 AromaticContact CG-CD1 3.77Å; F515-F535 HydrophobicContact CG-CD1 3.77Å; F515-F535 AromaticContact CG-CE1 3.56Å; F515-F535 HydrophobicContact CG-CE1 3.56Å; F515-F535 HydrophobicContact CG-CG 4.5Å; F515-F535 HydrophobicContact CG-CZ 4.15Å; F515-F535 HydrophobicContact CZ-CE1 4.44Å; F515-F535 HydrophobicContact CZ-CZ 4.34Å; F515-F535 CarbonylContact O-C 3.54Å; F515-F535 WeakPolarHBondContact O-CA 3.24Å; F515-D536 PolarHBondContact O-N 3.47Å; F515-V538 HydrophobicContact CB-CG2 3.99Å; F515-V538 VanDerWaalsContact O-CG2 3.29Å; F515-V538 WeakPolarHBondContact O-CG2 3.42Å
516	V	90.8	Very high	89.3	Confident	44 Å²	44	39.4 Å²	39.4	27%	0.267	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.6	-164.6	-175.5	0	0	0	0	111.4	T495 F496 Q514 M518 D536	T495-V516 HydrophobicContact CG2-CG2 4.4Å; F496-V516 PolarHBondContact O-N 2.96Å; Q514-V516 HydrophobicContact CB-CG2 4.06Å; V516-M518 VanDerWaalsContact C-N 3.3Å; V516-M518 PolarHBondContact O-N 2.79Å; V516-D536 CarbonylContact C-O 2.98Å; V516-D536 WeakPolarHBondContact CA-O 3.43Å; V516-D536 HydrophobicContact CG1-CB 4.37Å; V516-D536 HydrophobicContact CG2-CB 4.39Å
517	N	85.3	Confident	89.3	Confident	115 Å²	115	37.4 Å²	37.4	62%	0.615	20%	0.197	S	C	*	.	S	Bend	trans	46.5	52.5	178.8	-174.1	13.6	0	0	0	112.2	D536	N517-D536 PolarHBondContact N-O 3.47Å
518	M	85.9	Confident	89.4	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.015	18%	0.175	C	C	.	.			trans	-133.2	165.4	-174	66.9	174.1	-68.6	0	0	111.3	F496 F498 L500 F515 V516 L520 V538 T539	F496-M518 HydrophobicContact CB-CE 3.83Å; F496-M518 HydrophobicContact CB-SD 3.37Å; F496-M518 WeakPolarHBondContact CB-SD 3.28Å; F496-M518 HydrophobicContact CG-SD 4.45Å; F498-M518 WeakPolarHBondContact O-CE 3.42Å; L500-M518 HydrophobicContact CD1-CE 3.87Å; L500-M518 HydrophobicContact CG-CE 3.92Å; F515-M518 HydrophobicContact CB-CG 4.42Å; F515-M518 HydrophobicContact CB-SD 3.57Å; F515-M518 VanDerWaalsContact CB-SD 3.57Å; F515-M518 HydrophobicContact CD1-CE 4.11Å; F515-M518 HydrophobicContact CD1-SD 3.64Å; F515-M518 HydrophobicContact CG-SD 4.08Å; V516-M518 VanDerWaalsContact C-N 3.3Å; V516-M518 PolarHBondContact O-N 2.79Å; M518-L520 HydrophobicContact CE-CD2 3.92Å; M518-V538 HydrophobicContact CG-CG1 4.29Å; M518-V538 HydrophobicContact CG-CG2 3.96Å; M518-V538 WeakPolarHBondContact O-CA 3.46Å; M518-T539 PolarHBondContact O-N 3.02Å
519	K	83.4	Confident	89.6	Confident	48 Å²	48	34.3 Å²	34.3	21%	0.209	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.6	-178.9	-46.9	-163.8	173.3	-152.2	0	111.5	T499 L500 T539 V588	T499-K519 WeakPolarHBondContact CA-O 3.07Å; T499-K519 HydrophobicContact CG2-CB 4.14Å; T499-K519 WeakPolarHBondContact CG2-O 3.31Å; L500-K519 PolarHBondContact N-O 2.97Å; K519-T539 CarbonylContact C-O 3.49Å; K519-T539 VanDerWaalsContact CA-O 3.25Å; K519-T539 WeakPolarHBondContact CA-O 3.16Å; K519-T539 VanDerWaalsContact CD-OG1 3.29Å; K519-T539 WeakPolarHBondContact CD-OG1 3.34Å; K519-T539 VanDerWaalsContact CG-OG1 3.3Å; K519-T539 WeakPolarHBondContact CG-OG1 3.23Å; K519-V588 HydrophobicContact CD-CG2 4.42Å; K519-V588 VanDerWaalsContact NZ-CG2 3.28Å
520	L	83.4	Confident	89.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.1	172.2	-55.7	177.6	0	0	0	107.1	L500 M518 V523 F525 V538 T539 S540 V541 S543 F545	L500-L520 HydrophobicContact CB-CD2 4.01Å; L500-L520 HydrophobicContact CD1-CD2 3.9Å; L500-L520 HydrophobicContact CG-CD2 4.37Å; M518-L520 HydrophobicContact CE-CD2 3.92Å; L520-V523 HydrophobicContact CB-CB 4.23Å; L520-V523 HydrophobicContact CB-CG2 4.16Å; L520-V523 HydrophobicContact CD2-CG2 4.34Å; L520-F525 HydrophobicContact CD1-CE2 4.32Å; L520-V538 HydrophobicContact CD1-CG1 4.38Å; L520-V538 HydrophobicContact CG-CG1 4.28Å; L520-T539 PolarHBondContact N-O 2.94Å; L520-S540 CarbonylContact O-C 3.55Å; L520-S540 WeakPolarHBondContact O-CA 3.48Å; L520-V541 PolarHBondContact O-N 3.39Å; L520-S543 VanDerWaalsContact C-OG 3.31Å; L520-S543 PolarHBondContact O-OG 2.85Å; L520-S543 VanDerWaalsContact O-OG 3.13Å; L520-F545 HydrophobicContact CD1-CZ 4.07Å
521	K	81.3	Confident	89.5	Confident	30 Å²	30	37.6 Å²	37.6	13%	0.13	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.7	173	-59.7	-168.7	-165.9	163.3	0	110.1	T499 L500 E501 N502 V523 V541 D589	T499-K521 HydrophobicContact CG2-CG 4.37Å; L500-K521 PolarHBondContact O-N 2.9Å; E501-K521 CarbonylContact C-O 3.44Å; E501-K521 WeakPolarHBondContact CA-O 3.28Å; E501-K521 HydrophobicContact CB-CB 4.37Å; E501-K521 HydrophobicContact CG-CB 4.08Å; E501-K521 HydrophobicContact CG-CD 4.11Å; E501-K521 HydrophobicContact CG-CG 4.28Å; E501-K521 VanDerWaalsContact OE1-CD 3.32Å; E501-K521 WeakPolarHBondContact OE1-CD 3.37Å; E501-K521 WeakPolarHBondContact OE1-CE 3.41Å; E501-K521 IonicContact OE1-NZ 3.36Å; E501-K521 PolarHBondContact OE1-NZ 3.08Å; N502-K521 PolarHBondContact N-O 3.35Å; K521-V523 PolarHBondContact O-N 3.15Å; K521-V523 VanDerWaalsContact O-N 3.17Å; K521-V541 WeakPolarHBondContact CA-O 3.48Å; K521-D589 VanDerWaalsContact NZ-CG 3.34Å; K521-D589 IonicContact NZ-OD1 3.57Å; K521-D589 PolarHBondContact NZ-OD1 2.92Å; K521-D589 IonicContact NZ-OD2 2.69Å; K521-D589 PolarHBondContact NZ-OD2 2.97Å
522	S	81.4	Confident	89.5	Confident	49 Å²	49	42.4 Å²	42.4	34%	0.343	21%	0.206	S	C	.	.	S	Bend	trans	53	34.2	-179	-50.2	0	0	0	0	113.1	V541 S543	S522-V541 PolarHBondContact N-O 2.87Å; S522-S543 PolarHBondContact N-OG 3.49Å
523	V	87.2	Confident	89.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.			trans	-93.3	127.9	179.1	-176	0	0	0	0	109.3	L500 Q503 L520 K521 F525 S543 L544	L500-V523 HydrophobicContact CB-CG2 3.82Å; L500-V523 VanDerWaalsContact O-CG2 3.29Å; L500-V523 WeakPolarHBondContact O-CG2 3.14Å; Q503-V523 HydrophobicContact CB-CG1 4.44Å; Q503-V523 CarbonylContact O-C 3.54Å; Q503-V523 VanDerWaalsContact O-CA 3.26Å; Q503-V523 WeakPolarHBondContact O-CA 3.44Å; L520-V523 HydrophobicContact CB-CB 4.23Å; L520-V523 HydrophobicContact CB-CG2 4.16Å; L520-V523 HydrophobicContact CD2-CG2 4.34Å; K521-V523 PolarHBondContact O-N 3.15Å; K521-V523 VanDerWaalsContact O-N 3.17Å; V523-F525 HydrophobicContact CB-CE2 4.49Å; V523-F525 HydrophobicContact CG1-CD2 4.12Å; V523-F525 HydrophobicContact CG1-CE2 3.49Å; V523-F525 VanDerWaalsContact CG1-CE2 3.49Å; V523-F525 HydrophobicContact CG1-CZ 3.83Å; V523-S543 PolarHBondContact N-OG 2.9Å; V523-S543 CarbonylContact O-C 3.51Å; V523-S543 WeakPolarHBondContact O-CA 3.23Å; V523-S543 WeakPolarHBondContact O-CB 3.31Å; V523-L544 PolarHBondContact O-N 2.78Å
524	T	89.4	Confident	89.5	Confident	26 Å²	26	39.1 Å²	39.1	16%	0.16	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.8	177.4	-51.9	0	0	0	0	111	Q503 I504 H505 I526 L544 K546	Q503-T524 PolarHBondContact O-N 2.82Å; I504-T524 CarbonylContact C-O 3.32Å; I504-T524 VanDerWaalsContact CA-O 3.3Å; I504-T524 WeakPolarHBondContact CA-O 3.37Å; H505-T524 PolarHBondContact N-O 3.2Å; T524-I526 HydrophobicContact CG2-CD1 4.1Å; T524-I526 HydrophobicContact CG2-CG1 3.76Å; T524-L544 WeakPolarHBondContact CA-O 3.35Å; T524-L544 HydrophobicContact CG2-CB 4.47Å; T524-K546 HydrophobicContact CG2-CD 3.94Å
525	F	91.6	Very high	89.4	Confident	3 Å²	3	35.1 Å²	35.1	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.3	169.6	-64.7	-88.1	0	0	0	109.1	H505 F510 L520 V523 F530 L544 F545 K546	H505-F525 HydrophobicContact CB-CD1 3.71Å; H505-F525 HydrophobicContact CB-CE1 3.94Å; H505-F525 AromaticContact CD2-CD1 3.98Å; H505-F525 AromaticContact CD2-CE1 3.49Å; H505-F525 VanDerWaalsContact CD2-CE1 3.49Å; H505-F525 WeakPolarHBondContact CD2-CE1 3.25Å; H505-F525 AromaticContact CD2-CZ 3.87Å; H505-F525 AromaticContact CG-CE1 3.73Å; F510-F525 HydrophobicContact CE2-CD1 4.14Å; F510-F525 HydrophobicContact CE2-CE1 4.03Å; F510-F525 HydrophobicContact CZ-CD1 4.34Å; F510-F525 AromaticContact CZ-CE1 3.8Å; F510-F525 HydrophobicContact CZ-CE1 3.8Å; L520-F525 HydrophobicContact CD1-CE2 4.32Å; V523-F525 HydrophobicContact CB-CE2 4.49Å; V523-F525 HydrophobicContact CG1-CD2 4.12Å; V523-F525 HydrophobicContact CG1-CE2 3.49Å; V523-F525 VanDerWaalsContact CG1-CE2 3.49Å; V523-F525 HydrophobicContact CG1-CZ 3.83Å; F525-F530 AromaticContact CD1-CZ 3.73Å; F525-F530 HydrophobicContact CD1-CZ 3.73Å; F525-F530 AromaticContact CE1-CZ 3.99Å; F525-F530 HydrophobicContact CE1-CZ 3.99Å; F525-F530 HydrophobicContact CG-CZ 4.04Å; F525-F530 HydrophobicContact CZ-CZ 4.49Å; F525-L544 PolarHBondContact N-O 3.26Å; F525-F545 HydrophobicContact CB-CD1 3.77Å; F525-F545 HydrophobicContact CB-CE1 4.26Å; F525-F545 AromaticContact CD2-CD1 3.66Å; F525-F545 HydrophobicContact CD2-CD1 3.66Å; F525-F545 AromaticContact CD2-CE1 3.29Å; F525-F545 HydrophobicContact CD2-CE1 3.29Å; F525-F545 HydrophobicContact CD2-CZ 4.01Å; F525-F545 AromaticContact CE2-CE1 3.81Å; F525-F545 HydrophobicContact CE2-CE1 3.81Å; F525-F545 HydrophobicContact CE2-CZ 4.26Å; F525-F545 AromaticContact CG-CD1 3.97Å; F525-F545 HydrophobicContact CG-CD1 3.97Å; F525-F545 AromaticContact CG-CE1 3.93Å; F525-F545 HydrophobicContact CG-CE1 3.93Å; F525-K546 PolarHBondContact O-N 3.19Å
526	I	92.1	Very high	89.3	Confident	33 Å²	33	38.1 Å²	38.1	17%	0.169	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.3	-178.7	-46.1	-178.9	0	0	0	108.4	I504 H505 R506 N507 T524 S528 K546	I504-I526 HydrophobicContact CG2-CD1 3.87Å; I504-I526 HydrophobicContact CG2-CG1 4.35Å; H505-I526 PolarHBondContact O-N 2.89Å; R506-I526 WeakPolarHBondContact CA-O 3.3Å; R506-I526 HydrophobicContact CG-CB 4.33Å; R506-I526 HydrophobicContact CG-CD1 4.41Å; N507-I526 PolarHBondContact N-O 3.44Å; T524-I526 HydrophobicContact CG2-CD1 4.1Å; T524-I526 HydrophobicContact CG2-CG1 3.76Å; I526-S528 PolarHBondContact O-N 3.17Å; I526-S528 PolarHBondContact O-OG 3.36Å; I526-K546 WeakPolarHBondContact CA-O 3.44Å; I526-K546 HydrophobicContact CG1-CB 4.45Å; I526-K546 HydrophobicContact CG1-CD 4.35Å; I526-K546 HydrophobicContact CG2-CB 4.38Å
527	D	92.3	Very high	89.1	Confident	73 Å²	73	38.8 Å²	38.8	39%	0.39	19%	0.193	S	C	.	.	S	Bend	trans	53.3	28.4	178.2	-52.2	-47.2	0	0	0	113.5	N507 K546 N547	N507-D527 WeakPolarHBondContact CA-O 3.47Å; D527-K546 PolarHBondContact N-O 2.78Å; D527-N547 WeakPolarHBondContact CA-O 3.12Å; D527-N547 PolarHBondContact OD1-ND2 2.76Å
528	S	93	Very high	89	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.			trans	-104.6	140	-167.9	-62.2	0	0	0	0	112.6	G508 I526 C548 T549	G508-S528 PolarHBondContact N-OG 3.47Å; G508-S528 VanDerWaalsContact N-OG 3.15Å; G508-S528 CarbonylContact O-C 3.55Å; G508-S528 VanDerWaalsContact O-CA 3.25Å; G508-S528 WeakPolarHBondContact O-CA 3.36Å; G508-S528 WeakPolarHBondContact O-CB 3.4Å; I526-S528 PolarHBondContact O-N 3.17Å; I526-S528 PolarHBondContact O-OG 3.36Å; S528-C548 CarbonylContact O-C 3.6Å; S528-C548 WeakPolarHBondContact O-CA 3.28Å; S528-C548 WeakPolarHBondContact O-CB 3.31Å; S528-T549 PolarHBondContact O-N 2.6Å
529	T	93.1	Very high	88.8	Confident	23 Å²	23	33.7 Å²	33.7	14%	0.141	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.8	-178.1	-53.4	0	0	0	0	111.2	G508 T509 F510 R531 T549 I551	G508-T529 PolarHBondContact O-N 3.43Å; T509-T529 WeakPolarHBondContact CA-O 3.11Å; F510-T529 PolarHBondContact N-O 2.95Å; T529-R531 HydrophobicContact CG2-CG 3.86Å; T529-T549 CarbonylContact C-O 3.47Å; T529-T549 WeakPolarHBondContact CA-O 3.48Å; T529-T549 WeakPolarHBondContact CB-OG1 3.39Å; T529-T549 WeakPolarHBondContact CG2-OG1 3.49Å; T529-T549 PolarHBondContact OG1-OG1 3.4Å; T529-I551 HydrophobicContact CG2-CD1 4.44Å
530	F	93.6	Very high	88.6	Confident	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126	174.7	-60.4	-93.5	0	0	0	109.2	F510 F515 F525 C533 F535 F545 T549 F550 I551 T553	F510-F530 HydrophobicContact CB-CD1 3.59Å; F510-F530 HydrophobicContact CB-CE1 4.05Å; F510-F530 HydrophobicContact CB-CG 4.33Å; F510-F530 HydrophobicContact CD1-CE1 4.31Å; F510-F530 AromaticContact CD2-CD1 3.75Å; F510-F530 HydrophobicContact CD2-CD1 3.75Å; F510-F530 AromaticContact CD2-CE1 3.42Å; F510-F530 HydrophobicContact CD2-CE1 3.42Å; F510-F530 VanDerWaalsContact CD2-CE1 3.42Å; F510-F530 HydrophobicContact CD2-CE2 4.48Å; F510-F530 HydrophobicContact CD2-CG 4.4Å; F510-F530 AromaticContact CD2-CZ 3.84Å; F510-F530 HydrophobicContact CD2-CZ 3.84Å; F510-F530 AromaticContact CE2-CE1 3.9Å; F510-F530 HydrophobicContact CE2-CE1 3.9Å; F510-F530 HydrophobicContact CE2-CZ 4Å; F510-F530 AromaticContact CG-CD1 3.76Å; F510-F530 HydrophobicContact CG-CD1 3.76Å; F510-F530 AromaticContact CG-CE1 3.67Å; F510-F530 HydrophobicContact CG-CE1 3.67Å; F510-F530 CarbonylContact O-C 3.47Å; F510-F530 WeakPolarHBondContact O-CA 3.44Å; F515-F530 HydrophobicContact CE2-CD1 4.3Å; F515-F530 HydrophobicContact CE2-CE1 4.34Å; F515-F530 HydrophobicContact CZ-CD1 4.35Å; F515-F530 AromaticContact CZ-CE1 3.97Å; F515-F530 HydrophobicContact CZ-CE1 3.97Å; F525-F530 AromaticContact CD1-CZ 3.73Å; F525-F530 HydrophobicContact CD1-CZ 3.73Å; F525-F530 AromaticContact CE1-CZ 3.99Å; F525-F530 HydrophobicContact CE1-CZ 3.99Å; F525-F530 HydrophobicContact CG-CZ 4.04Å; F525-F530 HydrophobicContact CZ-CZ 4.49Å; F530-C533 HydrophobicContact CB-CB 4.38Å; F530-F535 HydrophobicContact CD1-CE2 4.47Å; F530-F535 HydrophobicContact CD1-CZ 4.02Å; F530-F535 HydrophobicContact CE1-CZ 4.07Å; F530-F545 HydrophobicContact CE2-CD1 4.26Å; F530-F545 HydrophobicContact CE2-CE1 4.31Å; F530-F545 HydrophobicContact CZ-CE1 4.17Å; F530-T549 PolarHBondContact N-O 2.93Å; F530-F550 HydrophobicContact CB-CD1 3.72Å; F530-F550 HydrophobicContact CB-CE1 4.05Å; F530-F550 HydrophobicContact CD1-CE1 4.41Å; F530-F550 AromaticContact CD2-CD1 3.76Å; F530-F550 HydrophobicContact CD2-CD1 3.76Å; F530-F550 AromaticContact CD2-CE1 3.36Å; F530-F550 HydrophobicContact CD2-CE1 3.36Å; F530-F550 HydrophobicContact CD2-CE2 4.38Å; F530-F550 HydrophobicContact CD2-CG 4.43Å; F530-F550 AromaticContact CD2-CZ 3.72Å; F530-F550 HydrophobicContact CD2-CZ 3.72Å; F530-F550 AromaticContact CE2-CE1 3.84Å; F530-F550 HydrophobicContact CE2-CE1 3.84Å; F530-F550 AromaticContact CE2-CZ 3.84Å; F530-F550 HydrophobicContact CE2-CZ 3.84Å; F530-F550 AromaticContact CG-CD1 3.9Å; F530-F550 HydrophobicContact CG-CD1 3.9Å; F530-F550 AromaticContact CG-CE1 3.69Å; F530-F550 HydrophobicContact CG-CE1 3.69Å; F530-F550 HydrophobicContact CG-CZ 4.48Å; F530-I551 PolarHBondContact O-N 3Å; F530-T553 HydrophobicContact CB-CG2 4.1Å
531	R	92.6	Very high	88.2	Confident	115 Å²	115	34.4 Å²	34.4	43%	0.434	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.5	-177.7	-58.2	-169.3	176.9	165.3	1.5	111.3	F510 I511 H512 T529 C533 I551	F510-R531 PolarHBondContact O-N 3.04Å; I511-R531 CarbonylContact C-O 3.43Å; I511-R531 WeakPolarHBondContact CA-O 3.26Å; I511-R531 HydrophobicContact CG2-CB 4.3Å; H512-R531 PolarHBondContact N-O 3.24Å; T529-R531 HydrophobicContact CG2-CG 3.86Å; R531-C533 PolarHBondContact O-N 3.43Å; R531-I551 WeakPolarHBondContact CA-O 3.37Å; R531-I551 HydrophobicContact CG-CB 4.3Å; R531-I551 HydrophobicContact CG-CD1 4.38Å
532	Y	93.1	Very high	87.7	Confident	125 Å²	125	35.9 Å²	35.9	49%	0.49	20%	0.198	S	C	.	.	S	Bend	trans	56.5	27.3	-178.2	-47	-69.2	0	0	0	113.7	H512 I551 D552	H512-Y532 AromaticContact CD2-CD2 3.98Å; H512-Y532 AromaticContact NE2-CD2 3.56Å; H512-Y532 AromaticContact NE2-CG 3.97Å; Y532-I551 PolarHBondContact N-O 2.84Å; Y532-D552 HydrophobicContact CD1-CB 3.51Å; Y532-D552 HydrophobicContact CE1-CB 3.68Å; Y532-D552 WeakPolarHBondContact CE1-OD2 3.33Å; Y532-D552 HydrophobicContact CG-CB 4.5Å
533	C	92.4	Very high	87.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.			trans	-85.5	149	-178.7	-63.5	0	0	0	0	112.1	D513 F515 F530 R531 F535 T553 F554	D513-C533 WeakPolarHBondContact O-CA 3.42Å; D513-C533 WeakPolarHBondContact O-CB 3.36Å; F515-C533 HydrophobicContact CE2-CB 4.38Å; F530-C533 HydrophobicContact CB-CB 4.38Å; R531-C533 PolarHBondContact O-N 3.43Å; C533-F535 HydrophobicContact CB-CE2 4.23Å; C533-T553 HydrophobicContact CB-CG2 3.99Å; C533-T553 CarbonylContact O-C 3.59Å; C533-T553 WeakPolarHBondContact O-CA 3.41Å; C533-T553 VanDerWaalsContact O-CB 3.27Å; C533-T553 WeakPolarHBondContact O-CB 3.31Å; C533-F554 PolarHBondContact O-N 3.32Å
534	T	92.4	Very high	87.9	Confident	43 Å²	43	36.6 Å²	36.6	26%	0.264	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.4	176.2	61.7	0	0	0	0	111.1	D513 Q514 F515 F554	D513-T534 PolarHBondContact O-N 2.77Å; D513-T534 VanDerWaalsContact O-N 3.08Å; Q514-T534 WeakPolarHBondContact CG-OG1 3.48Å; F515-T534 PolarHBondContact N-O 3.19Å; T534-F554 CarbonylContact C-O 3.57Å; T534-F554 WeakPolarHBondContact CA-O 3.49Å; T534-F554 HydrophobicContact CG2-CB 4.18Å
535	F	91.6	Very high	87.9	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.6	172.2	-65.3	-98.3	0	0	0	109.1	F515 F530 C533 V538 F550 F554 F555 F556 T558 I560	F515-F535 HydrophobicContact CB-CD1 3.6Å; F515-F535 HydrophobicContact CB-CE1 3.95Å; F515-F535 HydrophobicContact CB-CG 4.2Å; F515-F535 HydrophobicContact CD1-CD1 4.49Å; F515-F535 AromaticContact CD1-CE1 3.98Å; F515-F535 HydrophobicContact CD1-CE1 3.98Å; F515-F535 AromaticContact CD2-CD1 3.94Å; F515-F535 HydrophobicContact CD2-CD1 3.94Å; F515-F535 HydrophobicContact CD2-CD2 4.43Å; F515-F535 AromaticContact CD2-CE1 3.57Å; F515-F535 HydrophobicContact CD2-CE1 3.57Å; F515-F535 HydrophobicContact CD2-CE2 4.11Å; F515-F535 HydrophobicContact CD2-CG 4.35Å; F515-F535 AromaticContact CD2-CZ 3.66Å; F515-F535 HydrophobicContact CD2-CZ 3.66Å; F515-F535 HydrophobicContact CE1-CE1 4.4Å; F515-F535 HydrophobicContact CE2-CE1 4.04Å; F515-F535 HydrophobicContact CE2-CE2 4.36Å; F515-F535 AromaticContact CE2-CZ 3.78Å; F515-F535 HydrophobicContact CE2-CZ 3.78Å; F515-F535 AromaticContact CG-CD1 3.77Å; F515-F535 HydrophobicContact CG-CD1 3.77Å; F515-F535 AromaticContact CG-CE1 3.56Å; F515-F535 HydrophobicContact CG-CE1 3.56Å; F515-F535 HydrophobicContact CG-CG 4.5Å; F515-F535 HydrophobicContact CG-CZ 4.15Å; F515-F535 HydrophobicContact CZ-CE1 4.44Å; F515-F535 HydrophobicContact CZ-CZ 4.34Å; F515-F535 CarbonylContact O-C 3.54Å; F515-F535 WeakPolarHBondContact O-CA 3.24Å; F530-F535 HydrophobicContact CD1-CE2 4.47Å; F530-F535 HydrophobicContact CD1-CZ 4.02Å; F530-F535 HydrophobicContact CE1-CZ 4.07Å; C533-F535 HydrophobicContact CB-CE2 4.23Å; F535-V538 HydrophobicContact CB-CG2 4.1Å; F535-V538 HydrophobicContact CD1-CG2 4.16Å; F535-F550 HydrophobicContact CE2-CD1 4.48Å; F535-F550 HydrophobicContact CE2-CE1 4.04Å; F535-F550 HydrophobicContact CZ-CE1 4.16Å; F535-F554 PolarHBondContact N-O 2.94Å; F535-F555 HydrophobicContact CB-CD1 3.75Å; F535-F555 HydrophobicContact CB-CE1 4.27Å; F535-F555 AromaticContact CD2-CD1 3.74Å; F535-F555 HydrophobicContact CD2-CD1 3.74Å; F535-F555 AromaticContact CD2-CE1 3.43Å; F535-F555 HydrophobicContact CD2-CE1 3.43Å; F535-F555 VanDerWaalsContact CD2-CE1 3.43Å; F535-F555 HydrophobicContact CD2-CZ 4.16Å; F535-F555 AromaticContact CE2-CE1 3.85Å; F535-F555 HydrophobicContact CE2-CE1 3.85Å; F535-F555 HydrophobicContact CE2-CZ 4.31Å; F535-F555 AromaticContact CG-CD1 3.87Å; F535-F555 HydrophobicContact CG-CD1 3.87Å; F535-F555 AromaticContact CG-CE1 3.86Å; F535-F555 HydrophobicContact CG-CE1 3.86Å; F535-F556 PolarHBondContact O-N 2.95Å; F535-T558 HydrophobicContact CB-CG2 3.81Å; F535-I560 HydrophobicContact CD1-CD1 4.3Å
536	D	89.9	Confident	87.8	Confident	65 Å²	65	37.5 Å²	37.5	35%	0.348	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120	-176.6	-175.6	11.8	0	0	0	110.2	F515 V516 N517 V538 F556	F515-D536 PolarHBondContact O-N 3.47Å; V516-D536 CarbonylContact C-O 2.98Å; V516-D536 WeakPolarHBondContact CA-O 3.43Å; V516-D536 HydrophobicContact CG1-CB 4.37Å; V516-D536 HydrophobicContact CG2-CB 4.39Å; N517-D536 PolarHBondContact N-O 3.47Å; D536-V538 PolarHBondContact O-N 2.92Å; D536-F556 VanDerWaalsContact OD1-CD1 3.29Å; D536-F556 WeakPolarHBondContact OD1-CD1 3.21Å
537	D	85.9	Confident	87.8	Confident	57 Å²	57	40 Å²	40	31%	0.305	21%	0.214	S	C	.	.	S	Bend	trans	54	33.7	-177.7	-156.4	20.2	0	0	0	114.9	F556 N557 K580	D537-F556 PolarHBondContact N-O 3.3Å; D537-N557 PolarHBondContact OD1-ND2 3.31Å; D537-K580 IonicContact OD1-NZ 3.92Å; D537-K580 PolarHBondContact OD1-NZ 2.94Å
538	V	84.1	Confident	87.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.			trans	-83.6	129.6	-178.9	-175.1	0	0	0	0	111.5	F515 M518 L520 F535 D536 T558 D559	F515-V538 HydrophobicContact CB-CG2 3.99Å; F515-V538 VanDerWaalsContact O-CG2 3.29Å; F515-V538 WeakPolarHBondContact O-CG2 3.42Å; M518-V538 HydrophobicContact CG-CG1 4.29Å; M518-V538 HydrophobicContact CG-CG2 3.96Å; M518-V538 WeakPolarHBondContact O-CA 3.46Å; L520-V538 HydrophobicContact CD1-CG1 4.38Å; L520-V538 HydrophobicContact CG-CG1 4.28Å; F535-V538 HydrophobicContact CB-CG2 4.1Å; F535-V538 HydrophobicContact CD1-CG2 4.16Å; D536-V538 PolarHBondContact O-N 2.92Å; V538-T558 HydrophobicContact CB-CG2 4.24Å; V538-T558 WeakPolarHBondContact O-CA 3.39Å; V538-D559 PolarHBondContact O-N 3.27Å
539	T	81.4	Confident	87.7	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.1	173.5	63.1	0	0	0	0	112	M518 K519 L520 D559 K580	M518-T539 PolarHBondContact O-N 3.02Å; K519-T539 CarbonylContact C-O 3.49Å; K519-T539 VanDerWaalsContact CA-O 3.25Å; K519-T539 WeakPolarHBondContact CA-O 3.16Å; K519-T539 VanDerWaalsContact CD-OG1 3.29Å; K519-T539 WeakPolarHBondContact CD-OG1 3.34Å; K519-T539 VanDerWaalsContact CG-OG1 3.3Å; K519-T539 WeakPolarHBondContact CG-OG1 3.23Å; L520-T539 PolarHBondContact N-O 2.94Å; T539-D559 WeakPolarHBondContact CA-OD1 3.19Å; T539-K580 HydrophobicContact CG2-CD 4.39Å
540	S	79	Confident	87.7	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	104.3	-165.8	57.9	0	0	0	0	112.6	L520 D559 K564	L520-S540 CarbonylContact O-C 3.55Å; L520-S540 WeakPolarHBondContact O-CA 3.48Å; S540-D559 WeakPolarHBondContact CB-OD1 3.35Å; S540-D559 PolarHBondContact N-OD1 3.06Å; S540-D559 PolarHBondContact N-OD2 2.93Å; S540-D559 PolarHBondContact OG-OD1 2.93Å; S540-D559 PolarHBondContact OG-OD2 3.49Å; S540-K564 PolarHBondContact O-NZ 3.37Å; S540-K564 WeakPolarHBondContact OG-CD 3.41Å; S540-K564 PolarHBondContact OG-NZ 3.4Å
541	V	74.9	Confident	87.6	Confident	62 Å²	62	39.1 Å²	39.1	38%	0.376	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.8	-178.2	-176.1	0	0	0	0	109.3	L520 K521 S522 S543 T586	L520-V541 PolarHBondContact O-N 3.39Å; K521-V541 WeakPolarHBondContact CA-O 3.48Å; S522-V541 PolarHBondContact N-O 2.87Å; V541-S543 PolarHBondContact O-N 2.89Å; V541-S543 PolarHBondContact O-OG 3Å; V541-T586 HydrophobicContact CG2-CG2 3.58Å
542	G	71.4	Confident	87.6	Confident	61 Å²	61	36.5 Å²	36.5	63%	0.629	20%	0.204	S	C	*	.	S	Bend	trans	56.4	17.4	179	0	0	0	0	0	114.9
543	S	84.6	Confident	87.5	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.021	18%	0.181	C	C	.	.			trans	-108	140.6	-170	-60.1	0	0	0	0	110.2	L520 S522 V523 V541	L520-S543 VanDerWaalsContact C-OG 3.31Å; L520-S543 PolarHBondContact O-OG 2.85Å; L520-S543 VanDerWaalsContact O-OG 3.13Å; S522-S543 PolarHBondContact N-OG 3.49Å; V523-S543 PolarHBondContact N-OG 2.9Å; V523-S543 CarbonylContact O-C 3.51Å; V523-S543 WeakPolarHBondContact O-CA 3.23Å; V523-S543 WeakPolarHBondContact O-CB 3.31Å; V541-S543 PolarHBondContact O-N 2.89Å; V541-S543 PolarHBondContact O-OG 3Å
544	L	87.3	Confident	87.4	Confident	62 Å²	62	34.7 Å²	34.7	33%	0.325	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146	-168.7	-65	175.5	0	0	0	111.9	V523 T524 F525 V566	V523-L544 PolarHBondContact O-N 2.78Å; T524-L544 WeakPolarHBondContact CA-O 3.35Å; T524-L544 HydrophobicContact CG2-CB 4.47Å; F525-L544 PolarHBondContact N-O 3.26Å; L544-V566 HydrophobicContact CD2-CG2 4.1Å
545	F	89.4	Confident	87.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.2	171.1	-58.2	-92.4	0	0	0	108.3	L520 F525 F530 C548 F550 I560 K564 L565 V566 T569	L520-F545 HydrophobicContact CD1-CZ 4.07Å; F525-F545 HydrophobicContact CB-CD1 3.77Å; F525-F545 HydrophobicContact CB-CE1 4.26Å; F525-F545 AromaticContact CD2-CD1 3.66Å; F525-F545 HydrophobicContact CD2-CD1 3.66Å; F525-F545 AromaticContact CD2-CE1 3.29Å; F525-F545 HydrophobicContact CD2-CE1 3.29Å; F525-F545 HydrophobicContact CD2-CZ 4.01Å; F525-F545 AromaticContact CE2-CE1 3.81Å; F525-F545 HydrophobicContact CE2-CE1 3.81Å; F525-F545 HydrophobicContact CE2-CZ 4.26Å; F525-F545 AromaticContact CG-CD1 3.97Å; F525-F545 HydrophobicContact CG-CD1 3.97Å; F525-F545 AromaticContact CG-CE1 3.93Å; F525-F545 HydrophobicContact CG-CE1 3.93Å; F530-F545 HydrophobicContact CE2-CD1 4.26Å; F530-F545 HydrophobicContact CE2-CE1 4.31Å; F530-F545 HydrophobicContact CZ-CE1 4.17Å; F545-C548 HydrophobicContact CB-CB 4.24Å; F545-F550 HydrophobicContact CD1-CE2 4.3Å; F545-F550 AromaticContact CD1-CZ 3.67Å; F545-F550 HydrophobicContact CD1-CZ 3.67Å; F545-F550 AromaticContact CE1-CZ 3.92Å; F545-F550 HydrophobicContact CE1-CZ 3.92Å; F545-F550 HydrophobicContact CG-CE2 4.47Å; F545-F550 HydrophobicContact CG-CZ 4.16Å; F545-I560 HydrophobicContact CE2-CD1 4.05Å; F545-I560 HydrophobicContact CE2-CG1 4.37Å; F545-I560 HydrophobicContact CE2-CG2 4.22Å; F545-I560 HydrophobicContact CZ-CD1 4.09Å; F545-K564 PolarHBondContact N-O 2.79Å; F545-L565 HydrophobicContact CB-CD2 3.97Å; F545-L565 HydrophobicContact CD2-CD2 3.97Å; F545-L565 HydrophobicContact CG-CD2 4.14Å; F545-V566 PolarHBondContact O-N 2.89Å; F545-T569 PolarHBondContact O-OG1 2.95Å
546	K	90.3	Very high	87.1	Confident	47 Å²	47	36.2 Å²	36.2	20%	0.204	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.9	-175.9	-74	164.9	159.3	-85.1	0	109.8	T524 F525 I526 D527 C548 V566 E567	T524-K546 HydrophobicContact CG2-CD 3.94Å; F525-K546 PolarHBondContact O-N 3.19Å; I526-K546 WeakPolarHBondContact CA-O 3.44Å; I526-K546 HydrophobicContact CG1-CB 4.45Å; I526-K546 HydrophobicContact CG1-CD 4.35Å; I526-K546 HydrophobicContact CG2-CB 4.38Å; D527-K546 PolarHBondContact N-O 2.78Å; K546-C548 PolarHBondContact O-N 3.44Å; K546-C548 PolarHBondContact O-SG 3.15Å; K546-V566 HydrophobicContact CG-CB 4.39Å; K546-E567 HydrophobicContact CB-CB 4.39Å; K546-E567 WeakPolarHBondContact CG-OE2 3.39Å; K546-E567 IonicContact NZ-OE1 3.4Å; K546-E567 PolarHBondContact NZ-OE1 3.46Å; K546-E567 IonicContact NZ-OE2 3.61Å; K546-E567 PolarHBondContact NZ-OE2 2.99Å
547	N	91.5	Very high	86.8	Confident	87 Å²	87	35.5 Å²	35.5	47%	0.465	20%	0.198	S	C	.	.	S	Bend	trans	47.5	37.1	-178.3	-166.9	40.5	0	0	0	112.9	D527 V566 E567 T569	D527-N547 WeakPolarHBondContact CA-O 3.12Å; D527-N547 PolarHBondContact OD1-ND2 2.76Å; N547-V566 PolarHBondContact N-O 3.22Å; N547-E567 WeakPolarHBondContact CA-O 3.28Å; N547-E567 WeakPolarHBondContact CB-O 3.29Å; N547-E567 PolarHBondContact N-O 3.18Å; N547-E567 VanDerWaalsContact N-O 3.13Å; N547-T569 PolarHBondContact N-OG1 2.95Å
548	C	90.6	Very high	86.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.			trans	-88.6	160.6	-177.3	-70.9	0	0	0	0	111.1	S528 F545 K546 F550 T569 E570	S528-C548 CarbonylContact O-C 3.6Å; S528-C548 WeakPolarHBondContact O-CA 3.28Å; S528-C548 WeakPolarHBondContact O-CB 3.31Å; F545-C548 HydrophobicContact CB-CB 4.24Å; K546-C548 PolarHBondContact O-N 3.44Å; K546-C548 PolarHBondContact O-SG 3.15Å; C548-F550 HydrophobicContact CB-CE2 4.03Å; C548-T569 HydrophobicContact CB-CG2 3.86Å; C548-T569 PolarHBondContact N-OG1 3.02Å; C548-T569 CarbonylContact O-C 3.53Å; C548-T569 VanDerWaalsContact O-CA 3.24Å; C548-T569 WeakPolarHBondContact O-CA 3.35Å; C548-T569 WeakPolarHBondContact O-CG2 3.35Å; C548-E570 PolarHBondContact O-N 3.49Å
549	T	92.1	Very high	86.4	Confident	37 Å²	37	33.8 Å²	33.8	23%	0.227	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	107.6	-179.3	29.4	0	0	0	0	110.5	S528 T529 F530 E570	S528-T549 PolarHBondContact O-N 2.6Å; T529-T549 CarbonylContact C-O 3.47Å; T529-T549 WeakPolarHBondContact CA-O 3.48Å; T529-T549 WeakPolarHBondContact CB-OG1 3.39Å; T529-T549 WeakPolarHBondContact CG2-OG1 3.49Å; T529-T549 PolarHBondContact OG1-OG1 3.4Å; F530-T549 PolarHBondContact N-O 2.93Å; T549-E570 HydrophobicContact CG2-CB 4.27Å
550	F	92.9	Very high	86.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.6	176.4	-65.7	-89.5	0	0	0	109.9	F530 F535 F545 C548 T553 F555 L565 T569 E570 V571 I572	F530-F550 HydrophobicContact CB-CD1 3.72Å; F530-F550 HydrophobicContact CB-CE1 4.05Å; F530-F550 HydrophobicContact CD1-CE1 4.41Å; F530-F550 AromaticContact CD2-CD1 3.76Å; F530-F550 HydrophobicContact CD2-CD1 3.76Å; F530-F550 AromaticContact CD2-CE1 3.36Å; F530-F550 HydrophobicContact CD2-CE1 3.36Å; F530-F550 HydrophobicContact CD2-CE2 4.38Å; F530-F550 HydrophobicContact CD2-CG 4.43Å; F530-F550 AromaticContact CD2-CZ 3.72Å; F530-F550 HydrophobicContact CD2-CZ 3.72Å; F530-F550 AromaticContact CE2-CE1 3.84Å; F530-F550 HydrophobicContact CE2-CE1 3.84Å; F530-F550 AromaticContact CE2-CZ 3.84Å; F530-F550 HydrophobicContact CE2-CZ 3.84Å; F530-F550 AromaticContact CG-CD1 3.9Å; F530-F550 HydrophobicContact CG-CD1 3.9Å; F530-F550 AromaticContact CG-CE1 3.69Å; F530-F550 HydrophobicContact CG-CE1 3.69Å; F530-F550 HydrophobicContact CG-CZ 4.48Å; F535-F550 HydrophobicContact CE2-CD1 4.48Å; F535-F550 HydrophobicContact CE2-CE1 4.04Å; F535-F550 HydrophobicContact CZ-CE1 4.16Å; F545-F550 HydrophobicContact CD1-CE2 4.3Å; F545-F550 AromaticContact CD1-CZ 3.67Å; F545-F550 HydrophobicContact CD1-CZ 3.67Å; F545-F550 AromaticContact CE1-CZ 3.92Å; F545-F550 HydrophobicContact CE1-CZ 3.92Å; F545-F550 HydrophobicContact CG-CE2 4.47Å; F545-F550 HydrophobicContact CG-CZ 4.16Å; C548-F550 HydrophobicContact CB-CE2 4.03Å; F550-T553 HydrophobicContact CB-CG2 4.26Å; F550-T553 HydrophobicContact CD1-CG2 4.17Å; F550-F555 HydrophobicContact CD1-CE2 4.48Å; F550-F555 AromaticContact CD1-CZ 3.68Å; F550-F555 HydrophobicContact CD1-CZ 3.68Å; F550-F555 HydrophobicContact CE1-CE1 4.33Å; F550-F555 AromaticContact CE1-CZ 3.83Å; F550-F555 HydrophobicContact CE1-CZ 3.83Å; F550-F555 HydrophobicContact CG-CZ 4.24Å; F550-F555 HydrophobicContact CZ-CZ 4.49Å; F550-L565 HydrophobicContact CE2-CD2 3.99Å; F550-T569 HydrophobicContact CD2-CG2 4.01Å; F550-T569 HydrophobicContact CE2-CG2 3.86Å; F550-E570 PolarHBondContact N-O 3.31Å; F550-V571 HydrophobicContact CB-CG1 4.43Å; F550-V571 HydrophobicContact CB-CG2 4.39Å; F550-V571 HydrophobicContact CD2-CG2 4.2Å; F550-I572 PolarHBondContact O-N 3.36Å
551	I	92.1	Very high	86.2	Confident	41 Å²	41	36.1 Å²	36.1	21%	0.21	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.5	-177.8	-50.9	-179.3	0	0	0	109.1	T529 F530 R531 Y532 T553 I572	T529-I551 HydrophobicContact CG2-CD1 4.44Å; F530-I551 PolarHBondContact O-N 3Å; R531-I551 WeakPolarHBondContact CA-O 3.37Å; R531-I551 HydrophobicContact CG-CB 4.3Å; R531-I551 HydrophobicContact CG-CD1 4.38Å; Y532-I551 PolarHBondContact N-O 2.84Å; I551-T553 WeakPolarHBondContact O-CG2 3.18Å; I551-T553 PolarHBondContact O-N 3.07Å; I551-I572 WeakPolarHBondContact CA-O 3.33Å; I551-I572 HydrophobicContact CG1-CB 4.47Å; I551-I572 HydrophobicContact CG1-CD1 4.48Å
552	D	91.9	Very high	86.2	Confident	59 Å²	59	41.9 Å²	41.9	32%	0.316	22%	0.224	S	C	.	.	S	Bend	trans	53.3	36.1	180	-62.1	-58.7	0	0	0	113.3	Y532 I572 N573	Y532-D552 HydrophobicContact CD1-CB 3.51Å; Y532-D552 HydrophobicContact CE1-CB 3.68Å; Y532-D552 WeakPolarHBondContact CE1-OD2 3.33Å; Y532-D552 HydrophobicContact CG-CB 4.5Å; D552-I572 PolarHBondContact N-O 2.96Å; D552-N573 WeakPolarHBondContact OD1-CB 3.36Å; D552-N573 PolarHBondContact OD1-ND2 3.41Å
553	T	91.2	Very high	86.4	Confident	2 Å²	2	43 Å²	43	1%	0.012	22%	0.222	C	C	.	.			trans	-94	148.9	-177.8	69.2	0	0	0	0	113	F530 C533 F550 I551 F555 S574 T575	F530-T553 HydrophobicContact CB-CG2 4.1Å; C533-T553 HydrophobicContact CB-CG2 3.99Å; C533-T553 CarbonylContact O-C 3.59Å; C533-T553 WeakPolarHBondContact O-CA 3.41Å; C533-T553 VanDerWaalsContact O-CB 3.27Å; C533-T553 WeakPolarHBondContact O-CB 3.31Å; F550-T553 HydrophobicContact CB-CG2 4.26Å; F550-T553 HydrophobicContact CD1-CG2 4.17Å; I551-T553 WeakPolarHBondContact O-CG2 3.18Å; I551-T553 PolarHBondContact O-N 3.07Å; T553-F555 WeakPolarHBondContact OG1-CE2 3.38Å; T553-S574 PolarHBondContact N-OG 2.87Å; T553-S574 VanDerWaalsContact N-OG 3.11Å; T553-S574 CarbonylContact O-C 3.59Å; T553-S574 WeakPolarHBondContact O-CA 3.11Å; T553-S574 WeakPolarHBondContact O-CB 3.5Å; T553-S574 WeakPolarHBondContact OG1-CB 3.46Å; T553-S574 PolarHBondContact OG1-OG 2.86Å; T553-S574 VanDerWaalsContact OG1-OG 3.08Å; T553-T575 PolarHBondContact O-N 3.44Å
554	F	91	Very high	86.1	Confident	86 Å²	86	44.5 Å²	44.5	38%	0.377	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.6	179.3	-171.5	-106.8	0	0	0	110.3	C533 T534 F535 F556 T575 T577	C533-F554 PolarHBondContact O-N 3.32Å; T534-F554 CarbonylContact C-O 3.57Å; T534-F554 WeakPolarHBondContact CA-O 3.49Å; T534-F554 HydrophobicContact CG2-CB 4.18Å; F535-F554 PolarHBondContact N-O 2.94Å; F554-F556 HydrophobicContact CD1-CB 4.22Å; F554-F556 HydrophobicContact CE1-CB 3.63Å; F554-F556 HydrophobicContact CE1-CD2 4.3Å; F554-F556 HydrophobicContact CE1-CG 4.33Å; F554-F556 HydrophobicContact CZ-CB 4.31Å; F554-F556 HydrophobicContact CZ-CD2 4.37Å; F554-T575 WeakPolarHBondContact CD2-OG1 3.45Å; F554-T577 HydrophobicContact CE2-CG2 4.36Å; F554-T577 HydrophobicContact CZ-CG2 4.47Å
555	F	89.8	Confident	85.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.8	175.9	-60.5	-87.4	0	0	0	109.8	F535 F550 T553 T558 I560 T575 F576 T577	F535-F555 HydrophobicContact CB-CD1 3.75Å; F535-F555 HydrophobicContact CB-CE1 4.27Å; F535-F555 AromaticContact CD2-CD1 3.74Å; F535-F555 HydrophobicContact CD2-CD1 3.74Å; F535-F555 AromaticContact CD2-CE1 3.43Å; F535-F555 HydrophobicContact CD2-CE1 3.43Å; F535-F555 VanDerWaalsContact CD2-CE1 3.43Å; F535-F555 HydrophobicContact CD2-CZ 4.16Å; F535-F555 AromaticContact CE2-CE1 3.85Å; F535-F555 HydrophobicContact CE2-CE1 3.85Å; F535-F555 HydrophobicContact CE2-CZ 4.31Å; F535-F555 AromaticContact CG-CD1 3.87Å; F535-F555 HydrophobicContact CG-CD1 3.87Å; F535-F555 AromaticContact CG-CE1 3.86Å; F535-F555 HydrophobicContact CG-CE1 3.86Å; F550-F555 HydrophobicContact CD1-CE2 4.48Å; F550-F555 AromaticContact CD1-CZ 3.68Å; F550-F555 HydrophobicContact CD1-CZ 3.68Å; F550-F555 HydrophobicContact CE1-CE1 4.33Å; F550-F555 AromaticContact CE1-CZ 3.83Å; F550-F555 HydrophobicContact CE1-CZ 3.83Å; F550-F555 HydrophobicContact CG-CZ 4.24Å; F550-F555 HydrophobicContact CZ-CZ 4.49Å; T553-F555 WeakPolarHBondContact OG1-CE2 3.38Å; F555-T558 HydrophobicContact CB-CG2 4.23Å; F555-T558 HydrophobicContact CD1-CG2 4.25Å; F555-I560 HydrophobicContact CD1-CD1 4.42Å; F555-I560 HydrophobicContact CE1-CD1 4.19Å; F555-T575 PolarHBondContact N-O 3.08Å; F555-F576 HydrophobicContact CB-CD1 3.58Å; F555-F576 HydrophobicContact CB-CE1 4Å; F555-F576 HydrophobicContact CB-CG 4.23Å; F555-F576 HydrophobicContact CD1-CE1 4.16Å; F555-F576 AromaticContact CD2-CD1 3.69Å; F555-F576 HydrophobicContact CD2-CD1 3.69Å; F555-F576 HydrophobicContact CD2-CD2 4.37Å; F555-F576 AromaticContact CD2-CE1 3.37Å; F555-F576 HydrophobicContact CD2-CE1 3.37Å; F555-F576 HydrophobicContact CD2-CE2 4.1Å; F555-F576 HydrophobicContact CD2-CG 4.19Å; F555-F576 AromaticContact CD2-CZ 3.59Å; F555-F576 HydrophobicContact CD2-CZ 3.59Å; F555-F576 HydrophobicContact CE1-CE1 4.48Å; F555-F576 HydrophobicContact CE2-CD1 4.49Å; F555-F576 AromaticContact CE2-CE1 3.74Å; F555-F576 HydrophobicContact CE2-CE1 3.74Å; F555-F576 HydrophobicContact CE2-CE2 4.26Å; F555-F576 AromaticContact CE2-CZ 3.6Å; F555-F576 HydrophobicContact CE2-CZ 3.6Å; F555-F576 AromaticContact CG-CD1 3.73Å; F555-F576 HydrophobicContact CG-CD1 3.73Å; F555-F576 AromaticContact CG-CE1 3.6Å; F555-F576 HydrophobicContact CG-CE1 3.6Å; F555-F576 HydrophobicContact CG-CZ 4.29Å; F555-F576 HydrophobicContact CZ-CE1 4.28Å; F555-F576 HydrophobicContact CZ-CZ 4.32Å; F555-F576 CarbonylContact O-C 3.59Å; F555-T577 PolarHBondContact O-N 2.96Å; F555-T577 PolarHBondContact O-OG1 3.44Å
556	F	87.8	Confident	85.4	Confident	77 Å²	77	45.4 Å²	45.4	34%	0.338	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.7	-179.6	-177.9	-84.8	0	0	0	111.2	F535 D536 D537 F554 T558 T577 H578	F535-F556 PolarHBondContact O-N 2.95Å; D536-F556 VanDerWaalsContact OD1-CD1 3.29Å; D536-F556 WeakPolarHBondContact OD1-CD1 3.21Å; D537-F556 PolarHBondContact N-O 3.3Å; F554-F556 HydrophobicContact CD1-CB 4.22Å; F554-F556 HydrophobicContact CE1-CB 3.63Å; F554-F556 HydrophobicContact CE1-CD2 4.3Å; F554-F556 HydrophobicContact CE1-CG 4.33Å; F554-F556 HydrophobicContact CZ-CB 4.31Å; F554-F556 HydrophobicContact CZ-CD2 4.37Å; F556-T558 PolarHBondContact O-N 3.13Å; F556-T577 WeakPolarHBondContact CA-O 3.15Å; F556-T577 VanDerWaalsContact CD2-OG1 3.28Å; F556-T577 WeakPolarHBondContact CD2-OG1 3.19Å; F556-H578 AromaticContact CE2-CD2 3.76Å
557	N	82.9	Confident	84.5	Confident	51 Å²	51	48.8 Å²	48.8	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	52.3	29.5	-179.1	-158.4	40.2	0	0	0	113.6	D537 T577 H578 K580	D537-N557 PolarHBondContact OD1-ND2 3.31Å; N557-T577 PolarHBondContact N-O 3.08Å; N557-H578 WeakPolarHBondContact CA-O 3.14Å; N557-K580 PolarHBondContact ND2-NZ 3.35Å; N557-K580 VanDerWaalsContact O-CD 3.31Å; N557-K580 WeakPolarHBondContact O-CD 3.35Å; N557-K580 WeakPolarHBondContact O-CE 3.42Å; N557-K580 PolarHBondContact O-NZ 2.96Å; N557-K580 WeakPolarHBondContact OD1-CE 3.39Å
558	T	83	Confident	83.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.			trans	-83.4	165.3	179.6	49.7	0	0	0	0	111.9	F535 V538 F555 F556 N579 K580	F535-T558 HydrophobicContact CB-CG2 3.81Å; V538-T558 HydrophobicContact CB-CG2 4.24Å; V538-T558 WeakPolarHBondContact O-CA 3.39Å; F555-T558 HydrophobicContact CB-CG2 4.23Å; F555-T558 HydrophobicContact CD1-CG2 4.25Å; F556-T558 PolarHBondContact O-N 3.13Å; T558-N579 PolarHBondContact O-OD1 2.96Å; T558-N579 PolarHBondContact OG1-OD1 3.11Å; T558-K580 VanDerWaalsContact O-CB 3.28Å; T558-K580 WeakPolarHBondContact O-CB 3.15Å; T558-K580 PolarHBondContact O-N 3.43Å
559	D	78.7	Confident	83.3	Confident	20 Å²	20	48.6 Å²	48.6	11%	0.107	27%	0.265	C	S	.	.			trans	-109.8	20.2	166.4	75	-19.7	0	0	0	112.6	V538 T539 S540 K564 K580	V538-D559 PolarHBondContact O-N 3.27Å; T539-D559 WeakPolarHBondContact CA-OD1 3.19Å; S540-D559 WeakPolarHBondContact CB-OD1 3.35Å; S540-D559 PolarHBondContact N-OD1 3.06Å; S540-D559 PolarHBondContact N-OD2 2.93Å; S540-D559 PolarHBondContact OG-OD1 2.93Å; S540-D559 PolarHBondContact OG-OD2 3.49Å; D559-K564 WeakPolarHBondContact O-CE 3.3Å; D559-K564 PolarHBondContact O-NZ 3.33Å; D559-K564 IonicContact OD1-NZ 3.82Å; D559-K564 PolarHBondContact OD1-NZ 3.07Å; D559-K564 IonicContact OD2-NZ 2.75Å; D559-K564 PolarHBondContact OD2-NZ 3.42Å; D559-K580 HydrophobicContact CB-CB 4.06Å; D559-K580 HydrophobicContact CB-CD 4.37Å
560	I	81.6	Confident	83	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.			trans	-86.3	118.6	179.3	-58.2	173.8	0	0	0	107.9	F535 F545 F555 L565 N579	F535-I560 HydrophobicContact CD1-CD1 4.3Å; F545-I560 HydrophobicContact CE2-CD1 4.05Å; F545-I560 HydrophobicContact CE2-CG1 4.37Å; F545-I560 HydrophobicContact CE2-CG2 4.22Å; F545-I560 HydrophobicContact CZ-CD1 4.09Å; F555-I560 HydrophobicContact CD1-CD1 4.42Å; F555-I560 HydrophobicContact CE1-CD1 4.19Å; I560-L565 HydrophobicContact CG2-CD2 4Å; I560-L565 HydrophobicContact CG2-CG 4.45Å; I560-N579 PolarHBondContact O-ND2 3.49Å; I560-N579 PolarHBondContact O-OD1 3.03Å
561	D	76.1	Confident	82.7	Confident	63 Å²	63	55.1 Å²	55.1	34%	0.337	30%	0.297	S	S	.	.			trans	-134.7	177.5	-178.2	75.8	-15.8	0	0	0	111.2	S563 K564 L565	D561-S563 PolarHBondContact O-N 3Å; D561-S563 WeakPolarHBondContact OD1-CB 3.49Å; D561-S563 PolarHBondContact OD1-N 3.31Å; D561-S563 VanDerWaalsContact OD1-N 3.15Å; D561-S563 PolarHBondContact OD1-OG 2.98Å; D561-S563 PolarHBondContact OD2-OG 3.21Å; D561-K564 PolarHBondContact O-N 3.49Å; D561-K564 PolarHBondContact OD1-N 3Å; D561-L565 WeakPolarHBondContact O-CG 3.31Å; D561-L565 PolarHBondContact O-N 3.22Å
562	E	74	Confident	82.5	Confident	183 Å²	183	56.8 Å²	56.8	86%	0.855	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.1	179.8	-63.7	-177.8	173.1	0	0	113.3	K564 L565	E562-K564 VanDerWaalsContact C-N 3.28Å; E562-K564 PolarHBondContact O-N 3.36Å; E562-L565 PolarHBondContact O-N 3.46Å
563	S	74.8	Confident	82.3	Confident	84 Å²	84	60.2 Å²	60.2	59%	0.587	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-25.2	177.1	83.7	0	0	0	0	113.3	D561	D561-S563 PolarHBondContact O-N 3Å; D561-S563 WeakPolarHBondContact OD1-CB 3.49Å; D561-S563 PolarHBondContact OD1-N 3.31Å; D561-S563 VanDerWaalsContact OD1-N 3.15Å; D561-S563 PolarHBondContact OD1-OG 2.98Å; D561-S563 PolarHBondContact OD2-OG 3.21Å
564	K	78.6	Confident	82	Confident	36 Å²	36	61.1 Å²	61.1	16%	0.157	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-10.3	-180	-63	175.8	-176.9	176.2	0	113.4	S540 F545 D559 D561 E562	S540-K564 PolarHBondContact O-NZ 3.37Å; S540-K564 WeakPolarHBondContact OG-CD 3.41Å; S540-K564 PolarHBondContact OG-NZ 3.4Å; F545-K564 PolarHBondContact N-O 2.79Å; D559-K564 WeakPolarHBondContact O-CE 3.3Å; D559-K564 PolarHBondContact O-NZ 3.33Å; D559-K564 IonicContact OD1-NZ 3.82Å; D559-K564 PolarHBondContact OD1-NZ 3.07Å; D559-K564 IonicContact OD2-NZ 2.75Å; D559-K564 PolarHBondContact OD2-NZ 3.42Å; D561-K564 PolarHBondContact O-N 3.49Å; D561-K564 PolarHBondContact OD1-N 3Å; E562-K564 VanDerWaalsContact C-N 3.28Å; E562-K564 PolarHBondContact O-N 3.36Å
565	L	83.5	Confident	81.8	Confident	34 Å²	34	60.7 Å²	60.7	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	89.4	177.6	-57.5	-179	0	0	0	109.8	F545 F550 I560 D561 E562 T569 V571	F545-L565 HydrophobicContact CB-CD2 3.97Å; F545-L565 HydrophobicContact CD2-CD2 3.97Å; F545-L565 HydrophobicContact CG-CD2 4.14Å; F550-L565 HydrophobicContact CE2-CD2 3.99Å; I560-L565 HydrophobicContact CG2-CD2 4Å; I560-L565 HydrophobicContact CG2-CG 4.45Å; D561-L565 WeakPolarHBondContact O-CG 3.31Å; D561-L565 PolarHBondContact O-N 3.22Å; E562-L565 PolarHBondContact O-N 3.46Å; L565-T569 HydrophobicContact CB-CG2 4.12Å; L565-T569 HydrophobicContact CD2-CG2 4.04Å; L565-V571 HydrophobicContact CD1-CG2 4.06Å
566	V	79.5	Confident	81.6	Confident	47 Å²	47	64.8 Å²	64.8	29%	0.285	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	164.9	-167.6	-165	0	0	0	0	111	L544 F545 K546 N547 G568 T569	L544-V566 HydrophobicContact CD2-CG2 4.1Å; F545-V566 PolarHBondContact O-N 2.89Å; K546-V566 HydrophobicContact CG-CB 4.39Å; N547-V566 PolarHBondContact N-O 3.22Å; V566-G568 PolarHBondContact O-N 3.31Å; V566-T569 PolarHBondContact O-N 2.79Å; V566-T569 PolarHBondContact O-OG1 3.23Å
567	E	71.8	Confident	81.3	Confident	117 Å²	117	63.3 Å²	63.3	55%	0.547	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	52.4	167.5	-81.8	149.9	-140.2	0	0	114.1	K546 N547 T569	K546-E567 HydrophobicContact CB-CB 4.39Å; K546-E567 WeakPolarHBondContact CG-OE2 3.39Å; K546-E567 IonicContact NZ-OE1 3.4Å; K546-E567 PolarHBondContact NZ-OE1 3.46Å; K546-E567 IonicContact NZ-OE2 3.61Å; K546-E567 PolarHBondContact NZ-OE2 2.99Å; N547-E567 WeakPolarHBondContact CA-O 3.28Å; N547-E567 WeakPolarHBondContact CB-O 3.29Å; N547-E567 PolarHBondContact N-O 3.18Å; N547-E567 VanDerWaalsContact N-O 3.13Å; E567-T569 PolarHBondContact O-N 3.36Å
568	G	71.1	Confident	81	Confident	61 Å²	61	67.8 Å²	67.8	63%	0.629	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	17.1	171	0	0	0	0	0	115.4	V566 E570	V566-G568 PolarHBondContact O-N 3.31Å; G568-E570 PolarHBondContact O-N 2.97Å
569	T	84.6	Confident	80.4	Confident	22 Å²	22	70.1 Å²	70.1	14%	0.135	38%	0.382	C	S	.	.			trans	-56.9	120.1	177.8	-68.2	0	0	0	0	111.9	F545 N547 C548 F550 L565 V566 E567	F545-T569 PolarHBondContact O-OG1 2.95Å; N547-T569 PolarHBondContact N-OG1 2.95Å; C548-T569 HydrophobicContact CB-CG2 3.86Å; C548-T569 PolarHBondContact N-OG1 3.02Å; C548-T569 CarbonylContact O-C 3.53Å; C548-T569 VanDerWaalsContact O-CA 3.24Å; C548-T569 WeakPolarHBondContact O-CA 3.35Å; C548-T569 WeakPolarHBondContact O-CG2 3.35Å; F550-T569 HydrophobicContact CD2-CG2 4.01Å; F550-T569 HydrophobicContact CE2-CG2 3.86Å; L565-T569 HydrophobicContact CB-CG2 4.12Å; L565-T569 HydrophobicContact CD2-CG2 4.04Å; V566-T569 PolarHBondContact O-N 2.79Å; V566-T569 PolarHBondContact O-OG1 3.23Å; E567-T569 PolarHBondContact O-N 3.36Å
570	E	85.4	Confident	79.8	Confident	116 Å²	116	70.5 Å²	70.5	54%	0.542	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.8	-179	-65.4	-169.9	158.9	0	0	112.1	C548 T549 F550 G568	C548-E570 PolarHBondContact O-N 3.49Å; T549-E570 HydrophobicContact CG2-CB 4.27Å; F550-E570 PolarHBondContact N-O 3.31Å; G568-E570 PolarHBondContact O-N 2.97Å
571	V	87	Confident	78.8	Confident	58 Å²	58	76.5 Å²	76.5	35%	0.352	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	109.8	179.3	-177.6	0	0	0	0	109.4	F550 L565 F576	F550-V571 HydrophobicContact CB-CG1 4.43Å; F550-V571 HydrophobicContact CB-CG2 4.39Å; F550-V571 HydrophobicContact CD2-CG2 4.2Å; L565-V571 HydrophobicContact CD1-CG2 4.06Å; V571-F576 HydrophobicContact CG1-CE2 4.13Å; V571-F576 HydrophobicContact CG1-CZ 4.48Å
572	I	87.8	Confident	77.9	Confident	77 Å²	77	76.2 Å²	76.2	40%	0.395	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.4	-168.7	-55.5	178.2	0	0	0	109.2	F550 I551 D552 S574	F550-I572 PolarHBondContact O-N 3.36Å; I551-I572 WeakPolarHBondContact CA-O 3.33Å; I551-I572 HydrophobicContact CG1-CB 4.47Å; I551-I572 HydrophobicContact CG1-CD1 4.48Å; D552-I572 PolarHBondContact N-O 2.96Å; I572-S574 PolarHBondContact O-N 2.8Å; I572-S574 PolarHBondContact O-OG 3.15Å
573	N	88	Confident	77.1	Confident	131 Å²	131	70.8 Å²	70.8	70%	0.701	41%	0.412	S	S	*	.	S	Bend	trans	52.2	19.6	178.4	-157.6	46.6	0	0	0	115.7	D552	D552-N573 WeakPolarHBondContact OD1-CB 3.36Å; D552-N573 PolarHBondContact OD1-ND2 3.41Å
574	S	86	Confident	76	Confident	21 Å²	21	71.9 Å²	71.9	15%	0.147	41%	0.408	C	S	.	.			trans	-87.5	158.2	179.6	-54.6	0	0	0	0	110.9	T553 I572	T553-S574 PolarHBondContact N-OG 2.87Å; T553-S574 VanDerWaalsContact N-OG 3.11Å; T553-S574 CarbonylContact O-C 3.59Å; T553-S574 WeakPolarHBondContact O-CA 3.11Å; T553-S574 WeakPolarHBondContact O-CB 3.5Å; T553-S574 WeakPolarHBondContact OG1-CB 3.46Å; T553-S574 PolarHBondContact OG1-OG 2.86Å; T553-S574 VanDerWaalsContact OG1-OG 3.08Å; I572-S574 PolarHBondContact O-N 2.8Å; I572-S574 PolarHBondContact O-OG 3.15Å
575	T	86.4	Confident	74.8	Confident	76 Å²	76	72 Å²	72	47%	0.466	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.4	-177.5	48.1	0	0	0	0	112.5	T553 F554 F555	T553-T575 PolarHBondContact O-N 3.44Å; F554-T575 WeakPolarHBondContact CD2-OG1 3.45Å; F555-T575 PolarHBondContact N-O 3.08Å
576	F	86.1	Confident	73.1	Confident	86 Å²	86	72.6 Å²	72.6	38%	0.377	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.3	178.9	-64.9	-94.9	0	0	0	110.3	F555 V571	F555-F576 HydrophobicContact CB-CD1 3.58Å; F555-F576 HydrophobicContact CB-CE1 4Å; F555-F576 HydrophobicContact CB-CG 4.23Å; F555-F576 HydrophobicContact CD1-CE1 4.16Å; F555-F576 AromaticContact CD2-CD1 3.69Å; F555-F576 HydrophobicContact CD2-CD1 3.69Å; F555-F576 HydrophobicContact CD2-CD2 4.37Å; F555-F576 AromaticContact CD2-CE1 3.37Å; F555-F576 HydrophobicContact CD2-CE1 3.37Å; F555-F576 HydrophobicContact CD2-CE2 4.1Å; F555-F576 HydrophobicContact CD2-CG 4.19Å; F555-F576 AromaticContact CD2-CZ 3.59Å; F555-F576 HydrophobicContact CD2-CZ 3.59Å; F555-F576 HydrophobicContact CE1-CE1 4.48Å; F555-F576 HydrophobicContact CE2-CD1 4.49Å; F555-F576 AromaticContact CE2-CE1 3.74Å; F555-F576 HydrophobicContact CE2-CE1 3.74Å; F555-F576 HydrophobicContact CE2-CE2 4.26Å; F555-F576 AromaticContact CE2-CZ 3.6Å; F555-F576 HydrophobicContact CE2-CZ 3.6Å; F555-F576 AromaticContact CG-CD1 3.73Å; F555-F576 HydrophobicContact CG-CD1 3.73Å; F555-F576 AromaticContact CG-CE1 3.6Å; F555-F576 HydrophobicContact CG-CE1 3.6Å; F555-F576 HydrophobicContact CG-CZ 4.29Å; F555-F576 HydrophobicContact CZ-CE1 4.28Å; F555-F576 HydrophobicContact CZ-CZ 4.32Å; F555-F576 CarbonylContact O-C 3.59Å; V571-F576 HydrophobicContact CG1-CE2 4.13Å; V571-F576 HydrophobicContact CG1-CZ 4.48Å
577	T	81.3	Confident	71.7	Confident	46 Å²	46	74.3 Å²	74.3	28%	0.282	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.1	-176.8	54.2	0	0	0	0	111	F554 F555 F556 N557 N579	F554-T577 HydrophobicContact CE2-CG2 4.36Å; F554-T577 HydrophobicContact CZ-CG2 4.47Å; F555-T577 PolarHBondContact O-N 2.96Å; F555-T577 PolarHBondContact O-OG1 3.44Å; F556-T577 WeakPolarHBondContact CA-O 3.15Å; F556-T577 VanDerWaalsContact CD2-OG1 3.28Å; F556-T577 WeakPolarHBondContact CD2-OG1 3.19Å; N557-T577 PolarHBondContact N-O 3.08Å; T577-N579 VanDerWaalsContact C-N 3.29Å; T577-N579 PolarHBondContact O-N 3.26Å
578	H	75.8	Confident	70.4	Confident	145 Å²	145	72.6 Å²	72.6	67%	0.671	42%	0.416	S	S	*	.	S	Bend	trans	50.3	40.5	-177.3	-65.7	-83.8	0	0	0	114.9	F556 N557 K580	F556-H578 AromaticContact CE2-CD2 3.76Å; N557-H578 WeakPolarHBondContact CA-O 3.14Å; H578-K580 PolarHBondContact O-N 3.42Å
579	N	71.1	Confident	69.4	Low	50 Å²	50	73.1 Å²	73.1	27%	0.267	40%	0.404	S	S	.	.			trans	-63.2	133.7	-175.1	-144.9	29.4	0	0	0	112.1	T558 I560 T577 T581	T558-N579 PolarHBondContact O-OD1 2.96Å; T558-N579 PolarHBondContact OG1-OD1 3.11Å; I560-N579 PolarHBondContact O-ND2 3.49Å; I560-N579 PolarHBondContact O-OD1 3.03Å; T577-N579 VanDerWaalsContact C-N 3.29Å; T577-N579 PolarHBondContact O-N 3.26Å; N579-T581 PolarHBondContact O-N 2.91Å
580	K	66.3	Low	67.8	Low	28 Å²	28	75.9 Å²	75.9	12%	0.122	42%	0.418	C	S	.	.			trans	-77.5	84.8	179.1	-68.2	166.2	171.6	149.5	0	110.3	D537 T539 N557 T558 D559 H578	D537-K580 IonicContact OD1-NZ 3.92Å; D537-K580 PolarHBondContact OD1-NZ 2.94Å; T539-K580 HydrophobicContact CG2-CD 4.39Å; N557-K580 PolarHBondContact ND2-NZ 3.35Å; N557-K580 VanDerWaalsContact O-CD 3.31Å; N557-K580 WeakPolarHBondContact O-CD 3.35Å; N557-K580 WeakPolarHBondContact O-CE 3.42Å; N557-K580 PolarHBondContact O-NZ 2.96Å; N557-K580 WeakPolarHBondContact OD1-CE 3.39Å; T558-K580 VanDerWaalsContact O-CB 3.28Å; T558-K580 WeakPolarHBondContact O-CB 3.15Å; T558-K580 PolarHBondContact O-N 3.43Å; D559-K580 HydrophobicContact CB-CB 4.06Å; D559-K580 HydrophobicContact CB-CD 4.37Å; H578-K580 PolarHBondContact O-N 3.42Å
581	T	60.6	Low	66.2	Low	125 Å²	125	78.8 Å²	78.8	77%	0.767	43%	0.426	S	S	*	.			trans	-76.7	126.6	178.1	55.4	0	0	0	0	112.1	N579	N579-T581 PolarHBondContact O-N 2.91Å
582	G	55.8	Low	64.9	Low	57 Å²	57	79.1 Å²	79.1	59%	0.588	43%	0.43	S	S	*	.	S	Bend	trans	107.7	164.4	177.3	0	0	0	0	0	113.8	Q584	G582-Q584 PolarHBondContact O-N 3Å
583	C	57.4	Low	63.8	Low	69 Å²	69	77.2 Å²	77.2	47%	0.466	43%	0.427	S	S	.	.			trans	-72.9	87.3	-177.8	-52.2	0	0	0	0	111.3	C197 M585	C197-C583 WeakPolarHBondContact CA-SG 3.41Å; C197-C583 HydrophobicContact CB-CB 4.25Å; C197-C583 WeakPolarHBondContact CB-SG 3.36Å; C197-C583 WeakPolarHBondContact SG-CB 3.39Å; C197-C583 CovalentContact SG-SG 2.03Å; C197-C583 PolarHBondContact SG-SG 2.69Å; C583-M585 PolarHBondContact O-N 2.75Å
584	Q	52.8	Low	63.2	Low	107 Å²	107	74.2 Å²	74.2	50%	0.5	41%	0.406	S	S	.	.			trans	-72.1	115	172.6	-64.5	-162.5	-8.5	0	0	110.2	G582 T586	G582-Q584 PolarHBondContact O-N 3Å; Q584-T586 PolarHBondContact O-N 3.2Å
585	M	52.6	Low	62.6	Low	40 Å²	40	78 Å²	78	20%	0.197	42%	0.417	C	S	.	.			trans	-59.1	117.8	168.5	-67.5	-175.5	78.2	0	0	109.6	T194 C583 F587	T194-M585 WeakPolarHBondContact OG1-CE 3.25Å; C583-M585 PolarHBondContact O-N 2.75Å; M585-F587 HydrophobicContact CB-CD1 4.28Å; M585-F587 HydrophobicContact CB-CE1 3.42Å; M585-F587 VanDerWaalsContact CB-CE1 3.42Å; M585-F587 HydrophobicContact CB-CE2 4.25Å; M585-F587 HydrophobicContact CB-CZ 3.42Å; M585-F587 VanDerWaalsContact CB-CZ 3.42Å; M585-F587 HydrophobicContact CE-CE1 4.17Å; M585-F587 HydrophobicContact CG-CE1 4.39Å; M585-F587 HydrophobicContact CG-CZ 4.37Å; M585-F587 WeakPolarHBondContact O-CD2 3.42Å; M585-F587 WeakPolarHBondContact O-CE2 3.29Å; M585-F587 PolarHBondContact O-N 3.32Å; M585-F587 HydrophobicContact SD-CE1 4.13Å; M585-F587 HydrophobicContact SD-CZ 4.23Å
586	T	48.4	Very low	62.1	Low	45 Å²	45	78.3 Å²	78.3	28%	0.276	42%	0.418	S	S	.	.			trans	-87.6	88.5	-174.2	52.1	0	0	0	0	112.5	V541 Q584 V588	V541-T586 HydrophobicContact CG2-CG2 3.58Å; Q584-T586 PolarHBondContact O-N 3.2Å; T586-V588 VanDerWaalsContact C-N 3.26Å; T586-V588 PolarHBondContact O-N 3.37Å
587	F	50.4	Low	61.9	Low	84 Å²	84	75.3 Å²	75.3	37%	0.368	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	67.5	178.8	-45.5	-57.9	0	0	0	113.7	Y317 M585 D590	Y317-F587 HydrophobicContact CD1-CD1 4.13Å; Y317-F587 AromaticContact CD1-CE1 3.69Å; Y317-F587 HydrophobicContact CD1-CE1 3.69Å; Y317-F587 HydrophobicContact CD1-CE2 4.11Å; Y317-F587 AromaticContact CD1-CZ 3.66Å; Y317-F587 HydrophobicContact CD1-CZ 3.66Å; Y317-F587 AromaticContact CD2-CD1 3.73Å; Y317-F587 HydrophobicContact CD2-CD1 3.73Å; Y317-F587 AromaticContact CD2-CE1 3.83Å; Y317-F587 HydrophobicContact CD2-CE1 3.83Å; Y317-F587 HydrophobicContact CD2-CG 4.48Å; Y317-F587 HydrophobicContact CE1-CD1 4.17Å; Y317-F587 AromaticContact CE1-CE1 3.34Å; Y317-F587 HydrophobicContact CE1-CE1 3.34Å; Y317-F587 HydrophobicContact CE1-CE2 4.23Å; Y317-F587 AromaticContact CE1-CZ 3.35Å; Y317-F587 HydrophobicContact CE1-CZ 3.35Å; Y317-F587 AromaticContact CE2-CD1 3.77Å; Y317-F587 HydrophobicContact CE2-CD1 3.77Å; Y317-F587 AromaticContact CE2-CE1 3.48Å; Y317-F587 HydrophobicContact CE2-CE1 3.48Å; Y317-F587 VanDerWaalsContact CE2-CE1 3.48Å; Y317-F587 HydrophobicContact CE2-CZ 4.36Å; Y317-F587 AromaticContact CG-CD1 3.93Å; Y317-F587 HydrophobicContact CG-CD1 3.93Å; Y317-F587 AromaticContact CG-CE1 3.94Å; Y317-F587 HydrophobicContact CG-CE1 3.94Å; Y317-F587 HydrophobicContact CG-CG 4.32Å; Y317-F587 HydrophobicContact CG-CZ 4.3Å; Y317-F587 AromaticContact CZ-CE1 3.23Å; Y317-F587 AromaticContact CZ-CZ 3.76Å; M585-F587 HydrophobicContact CB-CD1 4.28Å; M585-F587 HydrophobicContact CB-CE1 3.42Å; M585-F587 VanDerWaalsContact CB-CE1 3.42Å; M585-F587 HydrophobicContact CB-CE2 4.25Å; M585-F587 HydrophobicContact CB-CZ 3.42Å; M585-F587 VanDerWaalsContact CB-CZ 3.42Å; M585-F587 HydrophobicContact CE-CE1 4.17Å; M585-F587 HydrophobicContact CG-CE1 4.39Å; M585-F587 HydrophobicContact CG-CZ 4.37Å; M585-F587 WeakPolarHBondContact O-CD2 3.42Å; M585-F587 WeakPolarHBondContact O-CE2 3.29Å; M585-F587 PolarHBondContact O-N 3.32Å; M585-F587 HydrophobicContact SD-CE1 4.13Å; M585-F587 HydrophobicContact SD-CZ 4.23Å; F587-D590 VanDerWaalsContact C-OD1 3.24Å
588	V	44.6	Very low	61.9	Low	81 Å²	81	75.5 Å²	75.5	49%	0.491	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	-11.5	170.6	172.2	0	0	0	0	112.4	K519 T586 D590	K519-V588 HydrophobicContact CD-CG2 4.42Å; K519-V588 VanDerWaalsContact NZ-CG2 3.28Å; T586-V588 VanDerWaalsContact C-N 3.26Å; T586-V588 PolarHBondContact O-N 3.37Å; V588-D590 PolarHBondContact O-N 3.47Å
589	D	49.1	Very low	62.1	Low	71 Å²	71	73.6 Å²	73.6	38%	0.38	40%	0.396	S	S	.	.			trans	-86.8	25.9	168.7	-74.1	-14.9	0	0	0	112.3	K521 Y591 S592 A593	K521-D589 VanDerWaalsContact NZ-CG 3.34Å; K521-D589 IonicContact NZ-OD1 3.57Å; K521-D589 PolarHBondContact NZ-OD1 2.92Å; K521-D589 IonicContact NZ-OD2 2.69Å; K521-D589 PolarHBondContact NZ-OD2 2.97Å; D589-Y591 PolarHBondContact O-N 3.07Å; D589-Y591 VanDerWaalsContact O-N 3.12Å; D589-S592 PolarHBondContact O-N 3.45Å; D589-S592 VanDerWaalsContact O-N 3.13Å; D589-S592 PolarHBondContact O-OG 3.42Å; D589-A593 WeakPolarHBondContact O-CB 3.3Å; D589-A593 PolarHBondContact O-N 2.96Å
590	D	51.3	Low	62.6	Low	81 Å²	81	74.4 Å²	74.4	43%	0.433	40%	0.4	S	S	.	.	H	α-helix	trans	-53	-35.9	-176.8	-64.9	3.6	0	0	0	112.9	F587 V588 Y594	F587-D590 VanDerWaalsContact C-OD1 3.24Å; V588-D590 PolarHBondContact O-N 3.47Å; D590-Y594 WeakPolarHBondContact O-CB 3.38Å; D590-Y594 PolarHBondContact O-N 2.89Å
591	Y	51.4	Low	63.5	Low	176 Å²	176	74.8 Å²	74.8	69%	0.69	40%	0.402	S	S	*	.	H	α-helix	trans	-68.4	-52.2	178.3	-159.8	-114	0	0	0	111.1	D589 Y594 W595	D589-Y591 PolarHBondContact O-N 3.07Å; D589-Y591 VanDerWaalsContact O-N 3.12Å; Y591-Y594 PolarHBondContact O-N 2.86Å; Y591-W595 AromaticContact CD1-CD1 3.6Å; Y591-W595 AromaticContact CD1-NE1 3.47Å; Y591-W595 AromaticContact CD2-NE1 3.72Å; Y591-W595 AromaticContact CE1-CD1 3.68Å; Y591-W595 AromaticContact CE1-NE1 3.12Å; Y591-W595 AromaticContact CE2-NE1 3.39Å; Y591-W595 AromaticContact CG-CD1 3.93Å; Y591-W595 AromaticContact CG-NE1 3.77Å; Y591-W595 AromaticContact CZ-CE2 3.93Å; Y591-W595 AromaticContact CZ-NE1 3.08Å; Y591-W595 PolarHBondContact O-N 2.86Å
592	S	59.5	Low	64.6	Low	65 Å²	65	72.9 Å²	72.9	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-68	-39.2	-179	47.5	0	0	0	0	112	D589 W595 V596	D589-S592 PolarHBondContact O-N 3.45Å; D589-S592 VanDerWaalsContact O-N 3.13Å; D589-S592 PolarHBondContact O-OG 3.42Å; S592-W595 PolarHBondContact O-N 2.95Å; S592-V596 WeakPolarHBondContact O-CG2 3.46Å; S592-V596 PolarHBondContact O-N 3.13Å
593	A	65.8	Low	65.7	Low	38 Å²	38	72.1 Å²	72.1	31%	0.314	38%	0.378	S	S	.	.	H	α-helix	trans	-59.6	-48.6	173.4	0	0	0	0	0	111.7	D589 W595 V596 Y597	D589-A593 WeakPolarHBondContact O-CB 3.3Å; D589-A593 PolarHBondContact O-N 2.96Å; A593-W595 VanDerWaalsContact C-N 3.34Å; A593-W595 PolarHBondContact O-N 3.5Å; A593-V596 PolarHBondContact O-N 2.78Å; A593-Y597 VanDerWaalsContact O-CD2 3.26Å; A593-Y597 WeakPolarHBondContact O-CD2 3.47Å; A593-Y597 PolarHBondContact O-N 2.86Å
594	Y	75	Confident	66.9	Low	68 Å²	68	69.3 Å²	69.3	27%	0.267	36%	0.359	S	S	.	.	H	α-helix	trans	-56.8	-44.6	174.7	172.7	-86.9	0	0	0	112.2	W311 P315 H316 D590 Y591 Y597 F598	W311-Y594 AromaticContact CE2-CE2 3.9Å; W311-Y594 HydrophobicContact CZ2-CE2 4.19Å; W311-Y594 WeakPolarHBondContact CZ2-OH 3.25Å; W311-Y594 AromaticContact NE1-CD2 3.64Å; W311-Y594 AromaticContact NE1-CE2 3.15Å; W311-Y594 AromaticContact NE1-CZ 3.38Å; P315-Y594 HydrophobicContact CB-CD2 4.3Å; H316-Y594 AromaticContact NE2-CE2 3.98Å; D590-Y594 WeakPolarHBondContact O-CB 3.38Å; D590-Y594 PolarHBondContact O-N 2.89Å; Y591-Y594 PolarHBondContact O-N 2.86Å; Y594-Y597 PolarHBondContact O-N 2.72Å; Y594-F598 VanDerWaalsContact O-CB 3.31Å; Y594-F598 WeakPolarHBondContact O-CB 3.46Å; Y594-F598 PolarHBondContact O-N 3.23Å
595	W	74.1	Confident	68.4	Low	100 Å²	100	67.1 Å²	67.1	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.7	-74.7	113.2	0	0	0	113.2	Y591 S592 A593 F598 I599	Y591-W595 AromaticContact CD1-CD1 3.6Å; Y591-W595 AromaticContact CD1-NE1 3.47Å; Y591-W595 AromaticContact CD2-NE1 3.72Å; Y591-W595 AromaticContact CE1-CD1 3.68Å; Y591-W595 AromaticContact CE1-NE1 3.12Å; Y591-W595 AromaticContact CE2-NE1 3.39Å; Y591-W595 AromaticContact CG-CD1 3.93Å; Y591-W595 AromaticContact CG-NE1 3.77Å; Y591-W595 AromaticContact CZ-CE2 3.93Å; Y591-W595 AromaticContact CZ-NE1 3.08Å; Y591-W595 PolarHBondContact O-N 2.86Å; S592-W595 PolarHBondContact O-N 2.95Å; A593-W595 VanDerWaalsContact C-N 3.34Å; A593-W595 PolarHBondContact O-N 3.5Å; W595-F598 AromaticContact CE3-CD1 3.69Å; W595-F598 HydrophobicContact CE3-CD1 3.69Å; W595-F598 HydrophobicContact CE3-CE1 4.34Å; W595-F598 HydrophobicContact CE3-CG 4.45Å; W595-F598 AromaticContact CZ3-CD1 3.6Å; W595-F598 HydrophobicContact CZ3-CD1 3.6Å; W595-F598 AromaticContact CZ3-CE1 3.79Å; W595-F598 HydrophobicContact CZ3-CE1 3.79Å; W595-F598 PolarHBondContact O-N 2.83Å; W595-I599 WeakPolarHBondContact O-CB 3.2Å; W595-I599 WeakPolarHBondContact O-CD1 3.31Å; W595-I599 WeakPolarHBondContact O-CG1 3.36Å; W595-I599 PolarHBondContact O-N 3.07Å
596	V	76	Confident	69.7	Low	82 Å²	82	67.3 Å²	67.3	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-62.2	-49.1	175.7	168.4	0	0	0	0	111.1	S592 A593 F598 I599 N600	S592-V596 WeakPolarHBondContact O-CG2 3.46Å; S592-V596 PolarHBondContact O-N 3.13Å; A593-V596 PolarHBondContact O-N 2.78Å; V596-F598 VanDerWaalsContact C-N 3.34Å; V596-F598 PolarHBondContact O-N 3.29Å; V596-I599 PolarHBondContact O-N 2.93Å; V596-N600 PolarHBondContact O-N 2.97Å; V596-N600 PolarHBondContact O-ND2 2.82Å
597	Y	81.3	Confident	71.3	Confident	23 Å²	23	65.4 Å²	65.4	9%	0.09	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-35.3	176.6	-71.4	-75	0	0	0	112.5	F187 A310 I314 P315 A593 Y594 N600 F601	F187-Y597 HydrophobicContact CB-CE1 4.17Å; F187-Y597 AromaticContact CD1-CD1 3.94Å; F187-Y597 HydrophobicContact CD1-CD1 3.94Å; F187-Y597 AromaticContact CD1-CE1 3.84Å; F187-Y597 HydrophobicContact CD1-CE1 3.84Å; F187-Y597 HydrophobicContact CG-CE1 4.4Å; F187-Y597 PolarHBondContact O-OH 3.44Å; A310-Y597 HydrophobicContact CB-CD1 3.87Å; A310-Y597 HydrophobicContact CB-CE1 4.16Å; I314-Y597 HydrophobicContact CB-CE2 4.2Å; I314-Y597 HydrophobicContact CD1-CE1 3.87Å; I314-Y597 HydrophobicContact CG2-CE2 3.9Å; P315-Y597 HydrophobicContact CG-CD2 3.95Å; A593-Y597 VanDerWaalsContact O-CD2 3.26Å; A593-Y597 WeakPolarHBondContact O-CD2 3.47Å; A593-Y597 PolarHBondContact O-N 2.86Å; Y594-Y597 PolarHBondContact O-N 2.72Å; Y597-N600 PolarHBondContact O-N 2.65Å; Y597-F601 PolarHBondContact O-N 2.59Å
598	F	81.9	Confident	72.9	Confident	50 Å²	50	63.9 Å²	63.9	22%	0.219	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-40.9	175.6	-177.6	-105.3	0	0	0	113.1	W311 Y594 W595 V596 F601 L602	W311-F598 HydrophobicContact CD2-CD2 4.41Å; W311-F598 AromaticContact CE2-CD2 3.81Å; W311-F598 HydrophobicContact CZ2-CD2 4.01Å; W311-F598 HydrophobicContact CZ2-CE2 4.39Å; W311-F598 AromaticContact NE1-CD2 3.81Å; Y594-F598 VanDerWaalsContact O-CB 3.31Å; Y594-F598 WeakPolarHBondContact O-CB 3.46Å; Y594-F598 PolarHBondContact O-N 3.23Å; W595-F598 AromaticContact CE3-CD1 3.69Å; W595-F598 HydrophobicContact CE3-CD1 3.69Å; W595-F598 HydrophobicContact CE3-CE1 4.34Å; W595-F598 HydrophobicContact CE3-CG 4.45Å; W595-F598 AromaticContact CZ3-CD1 3.6Å; W595-F598 HydrophobicContact CZ3-CD1 3.6Å; W595-F598 AromaticContact CZ3-CE1 3.79Å; W595-F598 HydrophobicContact CZ3-CE1 3.79Å; W595-F598 PolarHBondContact O-N 2.83Å; V596-F598 VanDerWaalsContact C-N 3.34Å; V596-F598 PolarHBondContact O-N 3.29Å; F598-F601 HydrophobicContact CD2-CD1 4.44Å; F598-F601 HydrophobicContact CE2-CD1 4.49Å; F598-F601 PolarHBondContact O-N 3.42Å; F598-L602 HydrophobicContact CD1-CD1 4.05Å; F598-L602 HydrophobicContact CD1-CG 4.47Å; F598-L602 HydrophobicContact CE1-CD1 3.51Å; F598-L602 HydrophobicContact CE1-CG 4.09Å; F598-L602 HydrophobicContact CZ-CD1 3.95Å; F598-L602 HydrophobicContact CZ-CD2 4.3Å; F598-L602 HydrophobicContact CZ-CG 4.17Å; F598-L602 WeakPolarHBondContact O-CG 3.45Å; F598-L602 PolarHBondContact O-N 3.03Å
599	I	79.1	Confident	74.9	Confident	106 Å²	106	63.6 Å²	63.6	54%	0.544	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-41.8	175.2	-72.1	164.5	0	0	0	110.2	W595 V596 L602 G603	W595-I599 WeakPolarHBondContact O-CB 3.2Å; W595-I599 WeakPolarHBondContact O-CD1 3.31Å; W595-I599 WeakPolarHBondContact O-CG1 3.36Å; W595-I599 PolarHBondContact O-N 3.07Å; V596-I599 PolarHBondContact O-N 2.93Å; I599-L602 PolarHBondContact O-N 3.13Å; I599-G603 PolarHBondContact O-N 2.73Å
600	N	81.3	Confident	76.5	Confident	66 Å²	66	60.9 Å²	60.9	35%	0.353	33%	0.33	S	S	.	.	H	α-helix	trans	-60.5	-45.8	173.7	-72.3	-26.1	0	0	0	111.6	F187 V596 Y597 L602 G603 T604	F187-N600 HydrophobicContact CE1-CB 3.97Å; V596-N600 PolarHBondContact O-N 2.97Å; V596-N600 PolarHBondContact O-ND2 2.82Å; Y597-N600 PolarHBondContact O-N 2.65Å; N600-L602 PolarHBondContact O-N 2.93Å; N600-G603 WeakPolarHBondContact O-CA 3.14Å; N600-G603 PolarHBondContact O-N 2.99Å; N600-G603 VanDerWaalsContact O-N 3.08Å; N600-T604 WeakPolarHBondContact O-CG2 3.39Å; N600-T604 PolarHBondContact O-N 3.08Å
601	F	86.3	Confident	78.1	Confident	37 Å²	37	57 Å²	57	16%	0.162	31%	0.31	C	S	.	.	H	α-helix	trans	-56.7	-46.5	174.1	169	-108.8	0	0	0	112.4	I304 A308 Y597 F598 G603 T604 L605	I304-F601 HydrophobicContact CG2-CE2 4.06Å; A308-F601 HydrophobicContact CB-CD2 3.94Å; A308-F601 HydrophobicContact CB-CE2 3.81Å; Y597-F601 PolarHBondContact O-N 2.59Å; F598-F601 HydrophobicContact CD2-CD1 4.44Å; F598-F601 HydrophobicContact CE2-CD1 4.49Å; F598-F601 PolarHBondContact O-N 3.42Å; F601-G603 VanDerWaalsContact C-N 3.3Å; F601-G603 PolarHBondContact O-N 2.94Å; F601-T604 PolarHBondContact O-N 3.29Å; F601-T604 PolarHBondContact O-OG1 3.24Å; F601-L605 HydrophobicContact CD1-CD1 4.2Å; F601-L605 HydrophobicContact CE1-CD1 3.62Å; F601-L605 HydrophobicContact CE2-CD1 4.11Å; F601-L605 HydrophobicContact CE2-CG 4.27Å; F601-L605 HydrophobicContact CZ-CD1 3.58Å; F601-L605 HydrophobicContact CZ-CG 4.22Å; F601-L605 PolarHBondContact O-N 3.02Å
602	L	82.3	Confident	79.9	Confident	84 Å²	84	51.9 Å²	51.9	44%	0.44	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-35.8	173.8	-69.6	-179.2	0	0	0	112.9	F598 I599 N600 L605 A606	F598-L602 HydrophobicContact CD1-CD1 4.05Å; F598-L602 HydrophobicContact CD1-CG 4.47Å; F598-L602 HydrophobicContact CE1-CD1 3.51Å; F598-L602 HydrophobicContact CE1-CG 4.09Å; F598-L602 HydrophobicContact CZ-CD1 3.95Å; F598-L602 HydrophobicContact CZ-CD2 4.3Å; F598-L602 HydrophobicContact CZ-CG 4.17Å; F598-L602 WeakPolarHBondContact O-CG 3.45Å; F598-L602 PolarHBondContact O-N 3.03Å; I599-L602 PolarHBondContact O-N 3.13Å; N600-L602 PolarHBondContact O-N 2.93Å; L602-L605 HydrophobicContact CD2-CD1 4.32Å; L602-L605 PolarHBondContact O-N 3.28Å; L602-A606 PolarHBondContact O-N 3.4Å; L602-A606 VanDerWaalsContact O-N 3.13Å
603	G	78.9	Confident	81.2	Confident	41 Å²	41	52.5 Å²	52.5	42%	0.423	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-48.9	172.1	0	0	0	0	0	112.4	I599 N600 F601 L605 A606	I599-G603 PolarHBondContact O-N 2.73Å; N600-G603 WeakPolarHBondContact O-CA 3.14Å; N600-G603 PolarHBondContact O-N 2.99Å; N600-G603 VanDerWaalsContact O-N 3.08Å; F601-G603 VanDerWaalsContact C-N 3.3Å; F601-G603 PolarHBondContact O-N 2.94Å; G603-L605 PolarHBondContact O-N 2.94Å; G603-A606 WeakPolarHBondContact O-CB 3.45Å; G603-A606 PolarHBondContact O-N 3.41Å; G603-A606 VanDerWaalsContact O-N 3.13Å
604	T	83.6	Confident	82.1	Confident	11 Å²	11	50.7 Å²	50.7	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-25.9	176.7	64.2	0	0	0	0	113	E303 S307 N600 F601	E303-T604 HydrophobicContact CG-CG2 3.67Å; E303-T604 WeakPolarHBondContact OE1-CG2 3.5Å; S307-T604 PolarHBondContact OG-OG1 3.18Å; N600-T604 WeakPolarHBondContact O-CG2 3.39Å; N600-T604 PolarHBondContact O-N 3.08Å; F601-T604 PolarHBondContact O-N 3.29Å; F601-T604 PolarHBondContact O-OG1 3.24Å
605	L	84.4	Confident	82.5	Confident	61 Å²	61	47.6 Å²	47.6	32%	0.319	27%	0.268	S	S	.	.	H	α-helix	trans	-75.2	-32.5	172.7	-76.2	173.5	0	0	0	113.4	I304 F601 L602 G603 V607 L608	I304-L605 HydrophobicContact CD1-CD2 4.39Å; I304-L605 HydrophobicContact CG2-CD2 4.13Å; F601-L605 HydrophobicContact CD1-CD1 4.2Å; F601-L605 HydrophobicContact CE1-CD1 3.62Å; F601-L605 HydrophobicContact CE2-CD1 4.11Å; F601-L605 HydrophobicContact CE2-CG 4.27Å; F601-L605 HydrophobicContact CZ-CD1 3.58Å; F601-L605 HydrophobicContact CZ-CG 4.22Å; F601-L605 PolarHBondContact O-N 3.02Å; L602-L605 HydrophobicContact CD2-CD1 4.32Å; L602-L605 PolarHBondContact O-N 3.28Å; G603-L605 PolarHBondContact O-N 2.94Å; L605-V607 PolarHBondContact O-N 3.35Å; L605-V607 VanDerWaalsContact O-N 3.13Å; L605-L608 HydrophobicContact CD2-CD1 4.06Å; L605-L608 PolarHBondContact O-N 2.95Å
606	A	79.4	Confident	83.1	Confident	44 Å²	44	47 Å²	47	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-13.9	178.7	0	0	0	0	0	113.4	L602 G603 P609	L602-A606 PolarHBondContact O-N 3.4Å; L602-A606 VanDerWaalsContact O-N 3.13Å; G603-A606 WeakPolarHBondContact O-CB 3.45Å; G603-A606 PolarHBondContact O-N 3.41Å; G603-A606 VanDerWaalsContact O-N 3.13Å; A606-P609 WeakPolarHBondContact O-CD 3.45Å
607	V	82.1	Confident	83.5	Confident	5 Å²	5	46 Å²	46	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-83.5	-33	-179.4	153.2	0	0	0	0	113.5	M300 L605 G610 N658 I662	M300-V607 HydrophobicContact CE-CG1 3.46Å; M300-V607 VanDerWaalsContact CE-CG1 3.46Å; L605-V607 PolarHBondContact O-N 3.35Å; L605-V607 VanDerWaalsContact O-N 3.13Å; V607-G610 PolarHBondContact O-N 2.83Å; V607-N658 HydrophobicContact CG2-CB 4.23Å; V607-I662 HydrophobicContact CB-CD1 4.1Å; V607-I662 HydrophobicContact CG1-CD1 3.37Å; V607-I662 HydrophobicContact CG2-CD1 3.67Å
608	L	84.5	Confident	83.6	Confident	51 Å²	51	44.9 Å²	44.9	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-50.7	-42.7	-178.2	-76.3	175.6	0	0	0	114.9	M300 I304 L605 G610 N611 I612	M300-L608 HydrophobicContact CB-CD2 4.38Å; I304-L608 HydrophobicContact CD1-CD1 3.68Å; I304-L608 HydrophobicContact CD1-CD2 3.57Å; I304-L608 HydrophobicContact CD1-CG 3.46Å; I304-L608 VanDerWaalsContact CD1-CG 3.46Å; L605-L608 HydrophobicContact CD2-CD1 4.06Å; L605-L608 PolarHBondContact O-N 2.95Å; L608-G610 VanDerWaalsContact C-N 3.28Å; L608-G610 PolarHBondContact O-N 3.33Å; L608-N611 PolarHBondContact O-N 3.4Å; L608-I612 WeakPolarHBondContact O-CG1 3.1Å; L608-I612 PolarHBondContact O-N 3.45Å
609	P	85.2	Confident	83.6	Confident	76 Å²	76	45 Å²	45	49%	0.494	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-35.7	180	-23.7	35.4	0	0	0	113	A606 V613	A606-P609 WeakPolarHBondContact O-CD 3.45Å; P609-V613 VanDerWaalsContact O-CB 3.23Å; P609-V613 WeakPolarHBondContact O-CB 3.44Å; P609-V613 WeakPolarHBondContact O-CG2 3.24Å; P609-V613 PolarHBondContact O-N 3.47Å
610	G	82.8	Confident	83.7	Confident	13 Å²	13	47.4 Å²	47.4	13%	0.134	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-43.9	178.1	0	0	0	0	0	112.1	V607 L608 S614	V607-G610 PolarHBondContact O-N 2.83Å; L608-G610 VanDerWaalsContact C-N 3.28Å; L608-G610 PolarHBondContact O-N 3.33Å; G610-S614 PolarHBondContact O-N 2.96Å
611	N	85.8	Confident	83.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-50.7	177.8	-164.5	-45.9	0	0	0	111.2	M297 M300 L608 V613 S614 A615 I662 N666	M297-N611 WeakPolarHBondContact CG-OD1 3.26Å; M300-N611 HydrophobicContact CG-CB 4.17Å; M300-N611 WeakPolarHBondContact CG-ND2 3.4Å; M300-N611 PolarHBondContact SD-ND2 2.88Å; M300-N611 VanDerWaalsContact SD-ND2 3.39Å; L608-N611 PolarHBondContact O-N 3.4Å; N611-V613 VanDerWaalsContact C-N 3.32Å; N611-V613 PolarHBondContact O-N 2.97Å; N611-S614 WeakPolarHBondContact O-CB 3.48Å; N611-S614 PolarHBondContact O-N 3.45Å; N611-S614 PolarHBondContact O-OG 3.29Å; N611-A615 PolarHBondContact O-N 3.14Å; N611-A615 VanDerWaalsContact O-N 3.09Å; N611-I662 HydrophobicContact CB-CG2 4.28Å; N611-N666 PolarHBondContact ND2-ND2 3.44Å; N611-N666 VanDerWaalsContact ND2-ND2 3.16Å; N611-N666 PolarHBondContact ND2-OD1 3.39Å; N611-N666 PolarHBondContact OD1-ND2 3.05Å
612	I	88.2	Confident	83.6	Confident	68 Å²	68	47.1 Å²	47.1	35%	0.349	27%	0.271	S	S	.	.	H	α-helix	trans	-58.8	-41.7	178	-64.4	165.8	0	0	0	111.7	M297 L608 S614 L616	M297-I612 HydrophobicContact SD-CG1 4.09Å; L608-I612 WeakPolarHBondContact O-CG1 3.1Å; L608-I612 PolarHBondContact O-N 3.45Å; I612-S614 VanDerWaalsContact C-N 3.35Å; I612-L616 HydrophobicContact CG2-CD1 3.9Å; I612-L616 WeakPolarHBondContact O-CG 3.36Å; I612-L616 PolarHBondContact O-N 2.86Å
613	V	86.4	Confident	83.8	Confident	78 Å²	78	43.7 Å²	43.7	47%	0.473	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-38.3	176.6	166.3	0	0	0	0	111.5	P609 N611 L617	P609-V613 VanDerWaalsContact O-CB 3.23Å; P609-V613 WeakPolarHBondContact O-CB 3.44Å; P609-V613 WeakPolarHBondContact O-CG2 3.24Å; P609-V613 PolarHBondContact O-N 3.47Å; N611-V613 VanDerWaalsContact C-N 3.32Å; N611-V613 PolarHBondContact O-N 2.97Å; V613-L617 HydrophobicContact CG1-CD1 3.58Å; V613-L617 HydrophobicContact CG1-CG 4.39Å; V613-L617 VanDerWaalsContact O-CB 3.31Å; V613-L617 WeakPolarHBondContact O-CB 3.45Å; V613-L617 VanDerWaalsContact O-CG 3.23Å; V613-L617 WeakPolarHBondContact O-CG 3.19Å; V613-L617 PolarHBondContact O-N 3.23Å
614	S	84.9	Confident	84.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-48.7	176.4	76.9	0	0	0	0	112.1	G610 N611 I612 L616 L617 M618 S663 N666	G610-S614 PolarHBondContact O-N 2.96Å; N611-S614 WeakPolarHBondContact O-CB 3.48Å; N611-S614 PolarHBondContact O-N 3.45Å; N611-S614 PolarHBondContact O-OG 3.29Å; I612-S614 VanDerWaalsContact C-N 3.35Å; S614-L616 VanDerWaalsContact C-N 3.34Å; S614-L616 PolarHBondContact O-N 2.88Å; S614-L617 PolarHBondContact O-N 2.97Å; S614-L617 VanDerWaalsContact O-N 3.12Å; S614-M618 WeakPolarHBondContact O-CB 3.44Å; S614-M618 PolarHBondContact O-N 2.89Å; S614-S663 VanDerWaalsContact CB-OG 3.27Å; S614-S663 WeakPolarHBondContact CB-OG 3.39Å; S614-N666 PolarHBondContact OG-ND2 3.28Å
615	A	84.3	Confident	84.5	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-42.2	179.7	0	0	0	0	0	112.1	S293 W294 N611 L617	S293-A615 WeakPolarHBondContact OG-CA 3.44Å; W294-A615 HydrophobicContact CD2-CB 4.15Å; W294-A615 HydrophobicContact CE3-CB 4.31Å; N611-A615 PolarHBondContact O-N 3.14Å; N611-A615 VanDerWaalsContact O-N 3.09Å; A615-L617 VanDerWaalsContact C-N 3.28Å; A615-L617 PolarHBondContact O-N 2.79Å
616	L	86.8	Confident	84.7	Confident	87 Å²	87	42.8 Å²	42.8	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-74.7	-11.2	179.5	-66.7	175.3	0	0	0	115	W294 I612 S614 K620	W294-L616 HydrophobicContact CH2-CD2 4.27Å; W294-L616 HydrophobicContact CZ2-CD2 3.94Å; I612-L616 HydrophobicContact CG2-CD1 3.9Å; I612-L616 WeakPolarHBondContact O-CG 3.36Å; I612-L616 PolarHBondContact O-N 2.86Å; S614-L616 VanDerWaalsContact C-N 3.34Å; S614-L616 PolarHBondContact O-N 2.88Å; L616-K620 PolarHBondContact O-NZ 2.95Å
617	L	85.1	Confident	85.3	Confident	60 Å²	60	40.7 Å²	40.7	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-112	-18.9	-179.4	-70	179	0	0	0	114	V613 S614 A615 D619 K620 I621	V613-L617 HydrophobicContact CG1-CD1 3.58Å; V613-L617 HydrophobicContact CG1-CG 4.39Å; V613-L617 VanDerWaalsContact O-CB 3.31Å; V613-L617 WeakPolarHBondContact O-CB 3.45Å; V613-L617 VanDerWaalsContact O-CG 3.23Å; V613-L617 WeakPolarHBondContact O-CG 3.19Å; V613-L617 PolarHBondContact O-N 3.23Å; S614-L617 PolarHBondContact O-N 2.97Å; S614-L617 VanDerWaalsContact O-N 3.12Å; A615-L617 VanDerWaalsContact C-N 3.28Å; A615-L617 PolarHBondContact O-N 2.79Å; L617-D619 PolarHBondContact O-N 3.13Å; L617-K620 HydrophobicContact CD2-CD 4.41Å; L617-K620 PolarHBondContact O-N 2.81Å; L617-I621 HydrophobicContact CB-CD1 3.98Å; L617-I621 HydrophobicContact CB-CG1 4.29Å; L617-I621 HydrophobicContact CD1-CD1 3.92Å; L617-I621 HydrophobicContact CD2-CD1 4.21Å; L617-I621 HydrophobicContact CG-CD1 4.27Å; L617-I621 PolarHBondContact O-N 3.03Å
618	M	83.1	Confident	85.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.2	-46.9	-171.6	-168.1	162.7	-152.3	0	0	113.7	S614 K620 G622 R623 M626 V670	S614-M618 WeakPolarHBondContact O-CB 3.44Å; S614-M618 PolarHBondContact O-N 2.89Å; M618-K620 VanDerWaalsContact C-N 3.32Å; M618-K620 PolarHBondContact O-N 2.91Å; M618-G622 CarbonylContact O-C 3.59Å; M618-G622 VanDerWaalsContact O-CA 3.31Å; M618-G622 WeakPolarHBondContact O-CA 3.36Å; M618-G622 PolarHBondContact O-N 3.13Å; M618-R623 HydrophobicContact CE-CB 3.89Å; M618-R623 HydrophobicContact CE-CG 3.83Å; M618-R623 HydrophobicContact CG-CG 4.03Å; M618-M626 HydrophobicContact CB-CE 3.87Å; M618-M626 HydrophobicContact CB-SD 4.09Å; M618-M626 HydrophobicContact CE-CE 3.91Å; M618-M626 HydrophobicContact CG-CE 3.76Å; M618-M626 HydrophobicContact CG-SD 4.42Å; M618-M626 HydrophobicContact SD-CE 3.85Å; M618-V670 HydrophobicContact CE-CB 3.55Å; M618-V670 HydrophobicContact CE-CG1 3.71Å; M618-V670 HydrophobicContact CE-CG2 3.75Å; M618-V670 HydrophobicContact SD-CB 4.49Å; M618-V670 HydrophobicContact SD-CG1 4.43Å; M618-V670 HydrophobicContact SD-CG2 4.14Å
619	D	80.1	Confident	86.2	Confident	52 Å²	52	39.6 Å²	39.6	28%	0.278	23%	0.227	S	C	.	.	H	α-helix	trans	-77	-17.3	179.2	-64.4	-34.5	0	0	0	113.8	E290 L617 R736	E290-D619 WeakPolarHBondContact CB-OD2 3.43Å; L617-D619 PolarHBondContact O-N 3.13Å; D619-R736 PolarHBondContact O-NH1 2.92Å; D619-R736 PolarHBondContact O-NH2 3.26Å
620	K	83.2	Confident	86.6	Confident	157 Å²	157	36.4 Å²	36.4	68%	0.683	21%	0.207	S	C	*	.	H	α-helix	trans	-87.9	-48.7	179.6	-65.4	172.7	-173.2	144.5	0	111.8	L616 L617 M618	L616-K620 PolarHBondContact O-NZ 2.95Å; L617-K620 HydrophobicContact CD2-CD 4.41Å; L617-K620 PolarHBondContact O-N 2.81Å; M618-K620 VanDerWaalsContact C-N 3.32Å; M618-K620 PolarHBondContact O-N 2.91Å
621	I	82.5	Confident	87.1	Confident	83 Å²	83	35.8 Å²	35.8	43%	0.426	20%	0.2	S	C	.	.	H	α-helix	trans	-84	-27.2	-177.3	-63.2	-174.4	0	0	0	111.1	L617 S625	L617-I621 HydrophobicContact CB-CD1 3.98Å; L617-I621 HydrophobicContact CB-CG1 4.29Å; L617-I621 HydrophobicContact CD1-CD1 3.92Å; L617-I621 HydrophobicContact CD2-CD1 4.21Å; L617-I621 HydrophobicContact CG-CD1 4.27Å; L617-I621 PolarHBondContact O-N 3.03Å; I621-S625 WeakPolarHBondContact CG2-OG 3.19Å; I621-S625 VanDerWaalsContact O-CB 3.31Å; I621-S625 WeakPolarHBondContact O-CB 3.45Å
622	G	83	Confident	87.6	Confident	14 Å²	14	37.6 Å²	37.6	14%	0.144	21%	0.21	C	C	.	.			trans	88.3	142.3	-175.2	0	0	0	0	0	111.7	M618 L624 S625 M626	M618-G622 CarbonylContact O-C 3.59Å; M618-G622 VanDerWaalsContact O-CA 3.31Å; M618-G622 WeakPolarHBondContact O-CA 3.36Å; M618-G622 PolarHBondContact O-N 3.13Å; G622-L624 PolarHBondContact O-N 3.26Å; G622-S625 PolarHBondContact O-N 2.99Å; G622-M626 PolarHBondContact O-N 2.95Å
623	R	85.9	Confident	87.9	Confident	13 Å²	13	38.6 Å²	38.6	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-46.5	-165.4	-45.8	-174.2	-168.1	-172.6	22.4	112.2	M618 S625 M626 L627 S667 V671 E674	M618-R623 HydrophobicContact CE-CB 3.89Å; M618-R623 HydrophobicContact CE-CG 3.83Å; M618-R623 HydrophobicContact CG-CG 4.03Å; R623-S625 PolarHBondContact O-N 3.03Å; R623-M626 PolarHBondContact O-N 3.35Å; R623-L627 WeakPolarHBondContact O-CB 3.41Å; R623-L627 PolarHBondContact O-N 3.5Å; R623-S667 PolarHBondContact O-OG 3.04Å; R623-V671 HydrophobicContact CB-CG2 3.7Å; R623-E674 IonicContact CZ-OE1 3.29Å; R623-E674 IonicContact CZ-OE2 2.85Å; R623-E674 IonicContact NE-OE2 3.39Å; R623-E674 IonicContact NH1-OE1 3.65Å; R623-E674 PolarHBondContact NH1-OE1 3.24Å; R623-E674 IonicContact NH1-OE2 2.88Å; R623-E674 PolarHBondContact NH1-OE2 2.8Å; R623-E674 IonicContact NH2-OE1 2.61Å; R623-E674 PolarHBondContact NH2-OE1 3.37Å; R623-E674 IonicContact NH2-OE2 3.79Å
624	L	87.1	Confident	88.2	Confident	21 Å²	21	34.9 Å²	34.9	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-38.6	177.8	-60.9	-173.7	0	0	0	113.7	G622 L627 G628 V671 L732 D734	G622-L624 PolarHBondContact O-N 3.26Å; L624-L627 PolarHBondContact O-N 3.24Å; L624-G628 PolarHBondContact O-N 3.44Å; L624-V671 HydrophobicContact CD2-CG1 3.82Å; L624-V671 HydrophobicContact CD2-CG2 4.01Å; L624-L732 HydrophobicContact CD1-CB 4.08Å; L624-L732 WeakPolarHBondContact CD1-O 3.36Å; L624-L732 HydrophobicContact CD2-CB 3.66Å; L624-L732 HydrophobicContact CD2-CD1 4.13Å; L624-D734 HydrophobicContact CD1-CB 4.36Å
625	S	89.1	Confident	88.6	Confident	62 Å²	62	34.9 Å²	34.9	43%	0.434	19%	0.193	S	C	.	.	H	α-helix	trans	-66.5	-40.6	177.6	-176.3	0	0	0	0	110.9	I621 G622 R623 G629	I621-S625 WeakPolarHBondContact CG2-OG 3.19Å; I621-S625 VanDerWaalsContact O-CB 3.31Å; I621-S625 WeakPolarHBondContact O-CB 3.45Å; G622-S625 PolarHBondContact O-N 2.99Å; R623-S625 PolarHBondContact O-N 3.03Å; S625-G629 WeakPolarHBondContact O-CA 3.3Å; S625-G629 PolarHBondContact O-N 3.41Å
626	M	90	Very high	89.1	Confident	10 Å²	10	38.2 Å²	38.2	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-49.3	172.6	-168.2	167.7	86.1	0	0	111.5	M618 G622 R623 S630	M618-M626 HydrophobicContact CB-CE 3.87Å; M618-M626 HydrophobicContact CB-SD 4.09Å; M618-M626 HydrophobicContact CE-CE 3.91Å; M618-M626 HydrophobicContact CG-CE 3.76Å; M618-M626 HydrophobicContact CG-SD 4.42Å; M618-M626 HydrophobicContact SD-CE 3.85Å; G622-M626 PolarHBondContact O-N 2.95Å; R623-M626 PolarHBondContact O-N 3.35Å; M626-S630 WeakPolarHBondContact O-CB 3.34Å; M626-S630 PolarHBondContact O-N 3.05Å; M626-S630 PolarHBondContact O-OG 3.31Å
627	L	91.8	Very high	89.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56	-64.2	176.9	176.4	57	0	0	0	112.1	V452 R623 L624 G629 S630 M631 A664 S667 L668 L732	V452-L627 HydrophobicContact CG1-CD1 4.17Å; V452-L627 HydrophobicContact CG1-CD2 4.35Å; R623-L627 WeakPolarHBondContact O-CB 3.41Å; R623-L627 PolarHBondContact O-N 3.5Å; L624-L627 PolarHBondContact O-N 3.24Å; L627-G629 PolarHBondContact O-N 3.13Å; L627-S630 PolarHBondContact O-OG 3.07Å; L627-M631 HydrophobicContact CD1-CG 4.49Å; L627-M631 HydrophobicContact CD1-SD 3.98Å; L627-M631 VanDerWaalsContact O-CG 3.32Å; L627-M631 WeakPolarHBondContact O-CG 3.23Å; L627-M631 PolarHBondContact O-N 2.84Å; L627-M631 VanDerWaalsContact O-N 3.1Å; L627-A664 HydrophobicContact CD1-CB 4.41Å; L627-A664 WeakPolarHBondContact CD1-O 3.36Å; L627-S667 PolarHBondContact N-OG 3.05Å; L627-L668 HydrophobicContact CD1-CB 3.88Å; L627-L668 HydrophobicContact CD1-CD1 4.35Å; L627-L668 HydrophobicContact CD2-CD1 4.16Å; L627-L732 HydrophobicContact CD2-CD1 4.21Å
628	G	91.9	Very high	89.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-38.1	-175.1	0	0	0	0	0	113.3	L624 I632	L624-G628 PolarHBondContact O-N 3.44Å; G628-I632 WeakPolarHBondContact O-CB 3.22Å; G628-I632 WeakPolarHBondContact O-CD1 3.34Å; G628-I632 VanDerWaalsContact O-CG1 3.28Å; G628-I632 WeakPolarHBondContact O-CG1 3.5Å; G628-I632 PolarHBondContact O-N 3.45Å
629	G	92.8	Very high	89.9	Confident	34 Å²	34	35 Å²	35	35%	0.351	19%	0.19	S	C	.	.	H	α-helix	trans	-66.7	-42.7	178.1	0	0	0	0	0	113	S625 L627 L633	S625-G629 WeakPolarHBondContact O-CA 3.3Å; S625-G629 PolarHBondContact O-N 3.41Å; L627-G629 PolarHBondContact O-N 3.13Å; G629-L633 VanDerWaalsContact O-CB 3.31Å; G629-L633 WeakPolarHBondContact O-CB 3.44Å; G629-L633 PolarHBondContact O-N 2.85Å
630	S	93.4	Very high	90.4	Very high	9 Å²	9	37 Å²	37	6%	0.063	20%	0.196	C	C	.	.	H	α-helix	trans	-71	-35.7	177.3	62.2	0	0	0	0	112.7	M626 L627 L633 S634 L660 A664	M626-S630 WeakPolarHBondContact O-CB 3.34Å; M626-S630 PolarHBondContact O-N 3.05Å; M626-S630 PolarHBondContact O-OG 3.31Å; L627-S630 PolarHBondContact O-OG 3.07Å; S630-L633 PolarHBondContact O-N 3.5Å; S630-S634 WeakPolarHBondContact O-CB 3.34Å; S630-S634 PolarHBondContact O-N 3.43Å; S630-S634 PolarHBondContact O-OG 2.95Å; S630-L660 WeakPolarHBondContact CB-O 3.34Å; S630-A664 VanDerWaalsContact OG-CA 3.27Å; S630-A664 WeakPolarHBondContact OG-CA 3.38Å; S630-A664 VanDerWaalsContact OG-CB 3.32Å; S630-A664 WeakPolarHBondContact OG-CB 3.48Å; S630-A664 PolarHBondContact OG-N 3.17Å
631	M	94.5	Very high	90.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-43.7	171.6	-72	-175.3	73.5	0	0	113	V452 L456 L627 S634 G635 A664 L722	V452-M631 HydrophobicContact CG1-CE 4.28Å; V452-M631 HydrophobicContact CG1-SD 3.74Å; L456-M631 HydrophobicContact CB-CE 3.84Å; L456-M631 HydrophobicContact CD1-CE 4.31Å; L456-M631 HydrophobicContact CD1-CG 4.28Å; L627-M631 HydrophobicContact CD1-CG 4.49Å; L627-M631 HydrophobicContact CD1-SD 3.98Å; L627-M631 VanDerWaalsContact O-CG 3.32Å; L627-M631 WeakPolarHBondContact O-CG 3.23Å; L627-M631 PolarHBondContact O-N 2.84Å; L627-M631 VanDerWaalsContact O-N 3.1Å; M631-S634 PolarHBondContact O-OG 3.25Å; M631-G635 PolarHBondContact O-N 3.01Å; M631-A664 HydrophobicContact CG-CB 3.56Å; M631-L722 HydrophobicContact CE-CD2 4.38Å
632	I	95.6	Very high	90.5	Very high	39 Å²	39	31.8 Å²	31.8	20%	0.2	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-43.4	176.9	-69.6	166.1	0	0	0	110	G628 G635 I636 L727 L730	G628-I632 WeakPolarHBondContact O-CB 3.22Å; G628-I632 WeakPolarHBondContact O-CD1 3.34Å; G628-I632 VanDerWaalsContact O-CG1 3.28Å; G628-I632 WeakPolarHBondContact O-CG1 3.5Å; G628-I632 PolarHBondContact O-N 3.45Å; I632-G635 PolarHBondContact O-N 3.41Å; I632-I636 HydrophobicContact CG2-CD1 3.91Å; I632-I636 VanDerWaalsContact O-CG1 3.3Å; I632-I636 WeakPolarHBondContact O-CG1 3.35Å; I632-I636 PolarHBondContact O-N 3.4Å; I632-L727 HydrophobicContact CD1-CD2 3.99Å; I632-L727 HydrophobicContact CD1-CG 4.16Å; I632-L730 HydrophobicContact CD1-CD1 3.91Å
633	L	93.9	Very high	90.5	Very high	89 Å²	89	36.2 Å²	36.2	47%	0.466	18%	0.183	S	C	.	.	H	α-helix	trans	-70.3	-34.7	-180	-164.6	62.9	0	0	0	112.5	G629 S630 I636 S637 L660	G629-L633 VanDerWaalsContact O-CB 3.31Å; G629-L633 WeakPolarHBondContact O-CB 3.44Å; G629-L633 PolarHBondContact O-N 2.85Å; S630-L633 PolarHBondContact O-N 3.5Å; L633-I636 PolarHBondContact O-N 2.97Å; L633-S637 PolarHBondContact O-N 2.89Å; L633-S637 PolarHBondContact O-OG 2.7Å; L633-L660 HydrophobicContact CB-CD1 4.07Å; L633-L660 HydrophobicContact CD2-CD1 3.91Å; L633-L660 HydrophobicContact CD2-CD2 3.88Å; L633-L660 HydrophobicContact CG-CD1 3.66Å; L633-L660 HydrophobicContact CG-CD2 4.44Å
634	S	93.4	Very high	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-43.8	172.2	78.3	0	0	0	0	110.6	S630 M631 I636 S637 C638 S661	S630-S634 WeakPolarHBondContact O-CB 3.34Å; S630-S634 PolarHBondContact O-N 3.43Å; S630-S634 PolarHBondContact O-OG 2.95Å; M631-S634 PolarHBondContact O-OG 3.25Å; S634-I636 VanDerWaalsContact C-N 3.3Å; S634-I636 PolarHBondContact O-N 2.88Å; S634-S637 WeakPolarHBondContact CA-OG 3.48Å; S634-S637 PolarHBondContact O-N 3.5Å; S634-S637 VanDerWaalsContact O-N 3.15Å; S634-S637 PolarHBondContact O-OG 2.62Å; S634-C638 WeakPolarHBondContact O-CB 3.1Å; S634-C638 PolarHBondContact O-N 3.45Å; S634-S661 VanDerWaalsContact CB-OG 3.31Å; S634-S661 WeakPolarHBondContact CB-OG 3.2Å; S634-S661 PolarHBondContact OG-OG 3Å
635	G	93.8	Very high	89.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-37.6	172.3	0	0	0	0	0	113.9	M631 I632 C638 F639 S719	M631-G635 PolarHBondContact O-N 3.01Å; I632-G635 PolarHBondContact O-N 3.41Å; G635-C638 WeakPolarHBondContact O-CB 3.39Å; G635-F639 PolarHBondContact O-N 2.83Å; G635-F639 VanDerWaalsContact O-N 3.09Å; G635-S719 WeakPolarHBondContact O-CB 3.46Å; G635-S719 PolarHBondContact O-OG 3.37Å
636	I	93.1	Very high	88.9	Confident	73 Å²	73	42.3 Å²	42.3	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-69.4	-45.7	173	-69.1	164.5	0	0	0	111.4	I632 L633 S634 C638 F639 F640	I632-I636 HydrophobicContact CG2-CD1 3.91Å; I632-I636 VanDerWaalsContact O-CG1 3.3Å; I632-I636 WeakPolarHBondContact O-CG1 3.35Å; I632-I636 PolarHBondContact O-N 3.4Å; L633-I636 PolarHBondContact O-N 2.97Å; S634-I636 VanDerWaalsContact C-N 3.3Å; S634-I636 PolarHBondContact O-N 2.88Å; I636-C638 VanDerWaalsContact C-N 3.27Å; I636-C638 PolarHBondContact O-N 3.32Å; I636-F639 WeakPolarHBondContact O-CB 3.29Å; I636-F639 PolarHBondContact O-N 3.37Å; I636-F639 VanDerWaalsContact O-N 3.12Å; I636-F640 HydrophobicContact CG2-CD2 4.04Å; I636-F640 HydrophobicContact CG2-CE2 3.72Å; I636-F640 VanDerWaalsContact O-CD2 3.29Å; I636-F640 WeakPolarHBondContact O-CD2 3.32Å; I636-F640 PolarHBondContact O-N 3.35Å
637	S	91.6	Very high	88.2	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.035	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-36	176.6	68.5	0	0	0	0	112.3	L633 S634 F640 L641 Y657	L633-S637 PolarHBondContact O-N 2.89Å; L633-S637 PolarHBondContact O-OG 2.7Å; S634-S637 WeakPolarHBondContact CA-OG 3.48Å; S634-S637 PolarHBondContact O-N 3.5Å; S634-S637 VanDerWaalsContact O-N 3.15Å; S634-S637 PolarHBondContact O-OG 2.62Å; S637-F640 PolarHBondContact O-N 2.99Å; S637-L641 PolarHBondContact O-N 3.4Å; S637-Y657 WeakPolarHBondContact OG-CA 3.49Å; S637-Y657 WeakPolarHBondContact OG-CB 3.4Å
638	C	90.4	Very high	87.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-46.1	171.5	177.4	0	0	0	0	111.4	L463 S634 G635 I636 F640 L641 Y657 I715	L463-C638 VanDerWaalsContact CD1-SG 3.57Å; S634-C638 WeakPolarHBondContact O-CB 3.1Å; S634-C638 PolarHBondContact O-N 3.45Å; G635-C638 WeakPolarHBondContact O-CB 3.39Å; I636-C638 VanDerWaalsContact C-N 3.27Å; I636-C638 PolarHBondContact O-N 3.32Å; C638-F640 PolarHBondContact O-N 2.76Å; C638-L641 WeakPolarHBondContact O-CB 3.46Å; C638-L641 PolarHBondContact O-N 3.39Å; C638-Y657 HydrophobicContact CB-CD2 3.86Å; C638-Y657 HydrophobicContact CB-CE2 4.06Å; C638-I715 WeakPolarHBondContact O-CG2 3.26Å; C638-I715 PolarHBondContact SG-O 3.18Å
639	F	91.3	Very high	87.1	Confident	75 Å²	75	56 Å²	56	33%	0.329	30%	0.301	S	S	.	.	H	α-helix	trans	-57	-37.8	176.2	-176.6	-103.7	0	0	0	112.5	G635 I636 L641 W642 F643 L716	G635-F639 PolarHBondContact O-N 2.83Å; G635-F639 VanDerWaalsContact O-N 3.09Å; I636-F639 WeakPolarHBondContact O-CB 3.29Å; I636-F639 PolarHBondContact O-N 3.37Å; I636-F639 VanDerWaalsContact O-N 3.12Å; F639-L641 VanDerWaalsContact C-N 3.3Å; F639-L641 PolarHBondContact O-N 3.15Å; F639-W642 HydrophobicContact CE2-CE3 4Å; F639-W642 HydrophobicContact CE2-CZ3 4.11Å; F639-W642 HydrophobicContact CZ-CE3 4.32Å; F639-W642 HydrophobicContact CZ-CZ3 4.32Å; F639-W642 WeakPolarHBondContact O-CB 3.27Å; F639-W642 PolarHBondContact O-N 3.37Å; F639-F643 HydrophobicContact CD1-CE2 4.24Å; F639-F643 HydrophobicContact CE1-CD2 4.49Å; F639-F643 AromaticContact CE1-CE2 3.64Å; F639-F643 HydrophobicContact CE1-CE2 3.64Å; F639-F643 HydrophobicContact CE1-CZ 4.46Å; F639-F643 AromaticContact CZ-CE2 3.83Å; F639-F643 HydrophobicContact CZ-CE2 3.83Å; F639-F643 HydrophobicContact CZ-CZ 4.38Å; F639-L716 HydrophobicContact CD2-CD2 3.75Å; F639-L716 HydrophobicContact CE2-CD2 3.65Å
640	F	89.3	Confident	86.4	Confident	94 Å²	94	57.6 Å²	57.6	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-69.5	-19.7	177.1	-76.2	-66.3	0	0	0	114.7	I636 S637 C638 W642 F643 G644 M653	I636-F640 HydrophobicContact CG2-CD2 4.04Å; I636-F640 HydrophobicContact CG2-CE2 3.72Å; I636-F640 VanDerWaalsContact O-CD2 3.29Å; I636-F640 WeakPolarHBondContact O-CD2 3.32Å; I636-F640 PolarHBondContact O-N 3.35Å; S637-F640 PolarHBondContact O-N 2.99Å; C638-F640 PolarHBondContact O-N 2.76Å; F640-W642 PolarHBondContact O-N 2.76Å; F640-F643 PolarHBondContact O-N 3.46Å; F640-F643 VanDerWaalsContact O-N 3.1Å; F640-G644 PolarHBondContact O-N 3.26Å; F640-M653 HydrophobicContact CB-CE 4.18Å; F640-M653 HydrophobicContact CB-SD 4.14Å
641	L	83.9	Confident	85.8	Confident	10 Å²	10	61.1 Å²	61.1	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-27.4	172.7	-71.6	163.5	0	0	0	112.3	F467 S637 C638 F639 F643 G644 M650 M653 L654 I715	F467-L641 HydrophobicContact CE2-CD1 4.13Å; F467-L641 HydrophobicContact CZ-CD1 3.68Å; S637-L641 PolarHBondContact O-N 3.4Å; C638-L641 WeakPolarHBondContact O-CB 3.46Å; C638-L641 PolarHBondContact O-N 3.39Å; F639-L641 VanDerWaalsContact C-N 3.3Å; F639-L641 PolarHBondContact O-N 3.15Å; L641-F643 VanDerWaalsContact C-N 3.26Å; L641-F643 PolarHBondContact O-N 2.9Å; L641-G644 PolarHBondContact O-N 3.32Å; L641-M650 HydrophobicContact CD2-CG 4.02Å; L641-M650 VanDerWaalsContact CD2-O 3.32Å; L641-M650 WeakPolarHBondContact CD2-O 3.44Å; L641-M653 HydrophobicContact CD2-CB 3.5Å; L641-M653 HydrophobicContact CG-CB 3.9Å; L641-L654 HydrophobicContact CD2-CB 4.4Å; L641-I715 HydrophobicContact CB-CD1 4.31Å
642	W	83.6	Confident	85.3	Confident	119 Å²	119	67.5 Å²	67.5	45%	0.451	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.7	174.8	-177.5	26.9	0	0	0	112.8	F639 F640 A712 I715 L716	F639-W642 HydrophobicContact CE2-CE3 4Å; F639-W642 HydrophobicContact CE2-CZ3 4.11Å; F639-W642 HydrophobicContact CZ-CE3 4.32Å; F639-W642 HydrophobicContact CZ-CZ3 4.32Å; F639-W642 WeakPolarHBondContact O-CB 3.27Å; F639-W642 PolarHBondContact O-N 3.37Å; F640-W642 PolarHBondContact O-N 2.76Å; W642-A712 HydrophobicContact CZ2-CB 4.48Å; W642-I715 HydrophobicContact CB-CG2 4.15Å; W642-L716 HydrophobicContact CE3-CD2 3.9Å; W642-L716 HydrophobicContact CZ3-CD1 4.45Å; W642-L716 HydrophobicContact CZ3-CD2 4.05Å
643	F	83.3	Confident	84.9	Confident	108 Å²	108	67.2 Å²	67.2	47%	0.474	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	2.4	178.6	-62.4	-83.2	0	0	0	113.4	F639 F640 L641 T645	F639-F643 HydrophobicContact CD1-CE2 4.24Å; F639-F643 HydrophobicContact CE1-CD2 4.49Å; F639-F643 AromaticContact CE1-CE2 3.64Å; F639-F643 HydrophobicContact CE1-CE2 3.64Å; F639-F643 HydrophobicContact CE1-CZ 4.46Å; F639-F643 AromaticContact CZ-CE2 3.83Å; F639-F643 HydrophobicContact CZ-CE2 3.83Å; F639-F643 HydrophobicContact CZ-CZ 4.38Å; F640-F643 PolarHBondContact O-N 3.46Å; F640-F643 VanDerWaalsContact O-N 3.1Å; L641-F643 VanDerWaalsContact C-N 3.26Å; L641-F643 PolarHBondContact O-N 2.9Å; F643-T645 PolarHBondContact O-N 3.37Å
644	G	75.6	Confident	84.4	Confident	23 Å²	23	65 Å²	65	24%	0.237	33%	0.332	C	S	.	.			trans	-70.9	89.3	-179.3	0	0	0	0	0	112.9	F640 L641	F640-G644 PolarHBondContact O-N 3.26Å; L641-G644 PolarHBondContact O-N 3.32Å
645	T	73.6	Confident	84	Confident	142 Å²	142	67.4 Å²	67.4	87%	0.871	35%	0.349	S	S	*	.			trans	-83.6	-11.2	176.5	55.3	0	0	0	0	114	F643	F643-T645 PolarHBondContact O-N 3.37Å
646	S	80.8	Confident	83.8	Confident	59 Å²	59	70.8 Å²	70.8	41%	0.413	37%	0.367	S	S	.	.	S	Bend	trans	-118.3	137.2	177.7	-172.7	0	0	0	0	110.8	S648 M649 M650	S646-S648 VanDerWaalsContact C-N 3.3Å; S646-S648 PolarHBondContact O-N 3.45Å; S646-S648 PolarHBondContact OG-OG 2.95Å; S646-M649 WeakPolarHBondContact O-CB 3.4Å; S646-M649 PolarHBondContact O-N 3.26Å; S646-M649 VanDerWaalsContact O-N 3.1Å; S646-M650 PolarHBondContact O-N 3.09Å
647	E	73.9	Confident	83.6	Confident	146 Å²	146	67.4 Å²	67.4	68%	0.682	35%	0.349	S	S	*	.	H	α-helix	trans	-52.1	-45.4	178.1	-175.7	-175.1	178.6	0	0	112.4	M649 M650 I651	E647-M649 VanDerWaalsContact C-N 3.35Å; E647-M649 PolarHBondContact O-N 2.7Å; E647-M650 PolarHBondContact O-N 3.2Å; E647-I651 HydrophobicContact CG-CD1 3.92Å; E647-I651 WeakPolarHBondContact O-CG1 3.49Å; E647-I651 PolarHBondContact O-N 2.85Å
648	S	79.7	Confident	83.4	Confident	85 Å²	85	68.9 Å²	68.9	59%	0.594	36%	0.356	S	S	*	.	H	α-helix	trans	-65.8	-35.1	179.6	58.7	0	0	0	0	113.1	S646 F652	S646-S648 VanDerWaalsContact C-N 3.3Å; S646-S648 PolarHBondContact O-N 3.45Å; S646-S648 PolarHBondContact OG-OG 2.95Å; S648-F652 VanDerWaalsContact O-CB 3.29Å; S648-F652 WeakPolarHBondContact O-CB 3.39Å; S648-F652 PolarHBondContact O-N 2.94Å
649	M	82.3	Confident	83.3	Confident	66 Å²	66	69.4 Å²	69.4	33%	0.325	36%	0.362	S	S	.	.	H	α-helix	trans	-69.4	-40.4	173.9	179.2	179	169.6	0	0	111.3	S646 E647 F652 M653	S646-M649 WeakPolarHBondContact O-CB 3.4Å; S646-M649 PolarHBondContact O-N 3.26Å; S646-M649 VanDerWaalsContact O-N 3.1Å; E647-M649 VanDerWaalsContact C-N 3.35Å; E647-M649 PolarHBondContact O-N 2.7Å; M649-F652 PolarHBondContact O-N 3.44Å; M649-M653 WeakPolarHBondContact O-CB 3.4Å; M649-M653 WeakPolarHBondContact O-CG 3.45Å; M649-M653 PolarHBondContact O-N 3.12Å
650	M	77.9	Confident	83.2	Confident	67 Å²	67	67.3 Å²	67.3	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-64.2	-47.6	176.8	-172.8	177.8	69.1	0	0	111.3	L641 S646 E647 M653 L654	L641-M650 HydrophobicContact CD2-CG 4.02Å; L641-M650 VanDerWaalsContact CD2-O 3.32Å; L641-M650 WeakPolarHBondContact CD2-O 3.44Å; S646-M650 PolarHBondContact O-N 3.09Å; E647-M650 PolarHBondContact O-N 3.2Å; M650-M653 PolarHBondContact O-N 3.22Å; M650-L654 WeakPolarHBondContact O-CB 3.3Å; M650-L654 PolarHBondContact O-N 2.84Å
651	I	80.4	Confident	83.3	Confident	84 Å²	84	62.8 Å²	62.8	43%	0.431	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-45.1	176.7	-66.5	167.4	0	0	0	110.8	E647 M653 L654 C655	E647-I651 HydrophobicContact CG-CD1 3.92Å; E647-I651 WeakPolarHBondContact O-CG1 3.49Å; E647-I651 PolarHBondContact O-N 2.85Å; I651-M653 PolarHBondContact O-N 3.41Å; I651-L654 PolarHBondContact O-N 3.12Å; I651-C655 PolarHBondContact O-N 3.06Å; I651-C655 PolarHBondContact O-SG 2.87Å; I651-C655 VanDerWaalsContact O-SG 3.35Å
652	F	84.8	Confident	83.5	Confident	134 Å²	134	62.5 Å²	62.5	59%	0.588	33%	0.333	S	S	*	.	H	α-helix	trans	-59.7	-47.3	177.9	175.7	-96.4	0	0	0	112.4	S648 M649 L654 C655 L656	S648-F652 VanDerWaalsContact O-CB 3.29Å; S648-F652 WeakPolarHBondContact O-CB 3.39Å; S648-F652 PolarHBondContact O-N 2.94Å; M649-F652 PolarHBondContact O-N 3.44Å; F652-L654 VanDerWaalsContact C-N 3.32Å; F652-L654 PolarHBondContact O-N 3.33Å; F652-C655 PolarHBondContact O-N 2.79Å; F652-L656 HydrophobicContact CE1-CD2 4.46Å; F652-L656 WeakPolarHBondContact O-CB 3.45Å; F652-L656 PolarHBondContact O-N 2.83Å
653	M	86.8	Confident	83.9	Confident	33 Å²	33	57.5 Å²	57.5	16%	0.163	32%	0.316	C	S	.	.	H	α-helix	trans	-67.5	-32	178.9	-70.3	-65.1	-179.9	0	0	112.3	F640 L641 M649 M650 I651 L656 Y657	F640-M653 HydrophobicContact CB-CE 4.18Å; F640-M653 HydrophobicContact CB-SD 4.14Å; L641-M653 HydrophobicContact CD2-CB 3.5Å; L641-M653 HydrophobicContact CG-CB 3.9Å; M649-M653 WeakPolarHBondContact O-CB 3.4Å; M649-M653 WeakPolarHBondContact O-CG 3.45Å; M649-M653 PolarHBondContact O-N 3.12Å; M650-M653 PolarHBondContact O-N 3.22Å; I651-M653 PolarHBondContact O-N 3.41Å; M653-L656 PolarHBondContact O-N 3.3Å; M653-L656 HydrophobicContact SD-CD2 4.16Å; M653-Y657 VanDerWaalsContact O-CB 3.22Å; M653-Y657 WeakPolarHBondContact O-CB 3.29Å; M653-Y657 PolarHBondContact O-N 3.12Å
654	L	83.9	Confident	84.3	Confident	41 Å²	41	52.3 Å²	52.3	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-43.2	175	-178.3	61.7	0	0	0	111.8	F467 L641 M650 I651 F652 Y657 N658	F467-L654 HydrophobicContact CD2-CD1 3.69Å; F467-L654 HydrophobicContact CE2-CD1 3.8Å; F467-L654 HydrophobicContact CG-CD1 4.27Å; F467-L654 HydrophobicContact CZ-CD1 4.45Å; L641-L654 HydrophobicContact CD2-CB 4.4Å; M650-L654 WeakPolarHBondContact O-CB 3.3Å; M650-L654 PolarHBondContact O-N 2.84Å; I651-L654 PolarHBondContact O-N 3.12Å; F652-L654 VanDerWaalsContact C-N 3.32Å; F652-L654 PolarHBondContact O-N 3.33Å; L654-Y657 HydrophobicContact CD1-CD1 4.23Å; L654-Y657 PolarHBondContact O-N 2.96Å; L654-N658 PolarHBondContact O-N 3.11Å
655	C	85.1	Confident	85.1	Confident	52 Å²	52	52.3 Å²	52.3	35%	0.351	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-41.6	173.6	-68.4	0	0	0	0	111.9	I651 F652 N658 G659	I651-C655 PolarHBondContact O-N 3.06Å; I651-C655 PolarHBondContact O-SG 2.87Å; I651-C655 VanDerWaalsContact O-SG 3.35Å; F652-C655 PolarHBondContact O-N 2.79Å; C655-N658 PolarHBondContact O-N 2.8Å; C655-G659 PolarHBondContact O-N 2.73Å
656	L	87.9	Confident	85.9	Confident	71 Å²	71	45.8 Å²	45.8	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-61.9	-46.5	174.8	179.9	61.8	0	0	0	111.3	F652 M653 G659 L660	F652-L656 HydrophobicContact CE1-CD2 4.46Å; F652-L656 WeakPolarHBondContact O-CB 3.45Å; F652-L656 PolarHBondContact O-N 2.83Å; M653-L656 PolarHBondContact O-N 3.3Å; M653-L656 HydrophobicContact SD-CD2 4.16Å; L656-G659 PolarHBondContact O-N 3.29Å; L656-L660 HydrophobicContact CD1-CD1 3.82Å; L656-L660 HydrophobicContact CD1-CG 4.16Å; L656-L660 HydrophobicContact CG-CD1 3.91Å; L656-L660 WeakPolarHBondContact O-CB 3.42Å; L656-L660 VanDerWaalsContact O-CG 3.23Å; L656-L660 WeakPolarHBondContact O-CG 3.44Å; L656-L660 PolarHBondContact O-N 2.61Å
657	Y	89.6	Confident	86.4	Confident	1 Å²	1	43 Å²	43	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-47.9	176.6	165.6	-97.9	0	0	0	112.7	G459 Y460 L463 S637 C638 M653 L654 S661 L722	G459-Y657 PolarHBondContact O-OH 2.97Å; Y460-Y657 WeakPolarHBondContact CA-OH 3.33Å; L463-Y657 HydrophobicContact CB-CE1 4.43Å; L463-Y657 HydrophobicContact CD1-CE1 4.24Å; L463-Y657 HydrophobicContact CD1-CE2 4.09Å; S637-Y657 WeakPolarHBondContact OG-CA 3.49Å; S637-Y657 WeakPolarHBondContact OG-CB 3.4Å; C638-Y657 HydrophobicContact CB-CD2 3.86Å; C638-Y657 HydrophobicContact CB-CE2 4.06Å; M653-Y657 VanDerWaalsContact O-CB 3.22Å; M653-Y657 WeakPolarHBondContact O-CB 3.29Å; M653-Y657 PolarHBondContact O-N 3.12Å; L654-Y657 HydrophobicContact CD1-CD1 4.23Å; L654-Y657 PolarHBondContact O-N 2.96Å; Y657-S661 WeakPolarHBondContact O-CB 3.27Å; Y657-S661 PolarHBondContact O-N 3.23Å; Y657-S661 PolarHBondContact O-OG 2.87Å; Y657-L722 HydrophobicContact CE2-CD1 3.68Å
658	N	87.3	Confident	87.3	Confident	36 Å²	36	36 Å²	36	19%	0.193	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-50.1	178.8	-73.4	-13.9	0	0	0	111.2	V607 L654 C655 L660 S661 I662	V607-N658 HydrophobicContact CG2-CB 4.23Å; L654-N658 PolarHBondContact O-N 3.11Å; C655-N658 PolarHBondContact O-N 2.8Å; N658-L660 VanDerWaalsContact C-N 3.29Å; N658-L660 PolarHBondContact O-N 3.19Å; N658-S661 PolarHBondContact O-N 3.08Å; N658-I662 WeakPolarHBondContact O-CB 3.4Å; N658-I662 WeakPolarHBondContact O-CD1 3.37Å; N658-I662 VanDerWaalsContact O-CG1 3.3Å; N658-I662 WeakPolarHBondContact O-CG1 3.49Å; N658-I662 PolarHBondContact O-N 2.92Å
659	G	87.8	Confident	87.9	Confident	12 Å²	12	32.9 Å²	32.9	12%	0.124	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-35.7	-179.7	0	0	0	0	0	113.7	C655 L656 S663	C655-G659 PolarHBondContact O-N 2.73Å; L656-G659 PolarHBondContact O-N 3.29Å; G659-S663 PolarHBondContact O-N 3.19Å
660	L	90.3	Very high	88.3	Confident	30 Å²	30	29.8 Å²	29.8	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-73.5	-43.9	174.5	-70	171.9	0	0	0	112.5	S630 L633 L656 N658 I662 S663 A664	S630-L660 WeakPolarHBondContact CB-O 3.34Å; L633-L660 HydrophobicContact CB-CD1 4.07Å; L633-L660 HydrophobicContact CD2-CD1 3.91Å; L633-L660 HydrophobicContact CD2-CD2 3.88Å; L633-L660 HydrophobicContact CG-CD1 3.66Å; L633-L660 HydrophobicContact CG-CD2 4.44Å; L656-L660 HydrophobicContact CD1-CD1 3.82Å; L656-L660 HydrophobicContact CD1-CG 4.16Å; L656-L660 HydrophobicContact CG-CD1 3.91Å; L656-L660 WeakPolarHBondContact O-CB 3.42Å; L656-L660 VanDerWaalsContact O-CG 3.23Å; L656-L660 WeakPolarHBondContact O-CG 3.44Å; L656-L660 PolarHBondContact O-N 2.61Å; N658-L660 VanDerWaalsContact C-N 3.29Å; N658-L660 PolarHBondContact O-N 3.19Å; L660-I662 PolarHBondContact O-N 2.84Å; L660-S663 WeakPolarHBondContact O-CB 3.14Å; L660-S663 PolarHBondContact O-N 2.9Å; L660-A664 PolarHBondContact O-N 2.88Å; L660-A664 VanDerWaalsContact O-N 3.11Å
661	S	90.4	Very high	88.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-29.4	178.5	-57	0	0	0	0	112.2	S634 Y657 N658 A664 W665	S634-S661 VanDerWaalsContact CB-OG 3.31Å; S634-S661 WeakPolarHBondContact CB-OG 3.2Å; S634-S661 PolarHBondContact OG-OG 3Å; Y657-S661 WeakPolarHBondContact O-CB 3.27Å; Y657-S661 PolarHBondContact O-N 3.23Å; Y657-S661 PolarHBondContact O-OG 2.87Å; N658-S661 PolarHBondContact O-N 3.08Å; S661-A664 VanDerWaalsContact O-CB 3.31Å; S661-A664 WeakPolarHBondContact O-CB 3.29Å; S661-A664 PolarHBondContact O-N 2.79Å; S661-W665 PolarHBondContact O-N 3.27Å
662	I	89.6	Confident	89.5	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-78.9	-29.1	177.5	-67.4	166.4	0	0	0	111.9	M300 Y460 V607 N611 N658 L660 A664 W665 N666	M300-I662 HydrophobicContact CE-CD1 4Å; M300-I662 HydrophobicContact CE-CG2 3.98Å; M300-I662 HydrophobicContact SD-CG2 4.1Å; Y460-I662 HydrophobicContact CE2-CG1 4.3Å; V607-I662 HydrophobicContact CB-CD1 4.1Å; V607-I662 HydrophobicContact CG1-CD1 3.37Å; V607-I662 HydrophobicContact CG2-CD1 3.67Å; N611-I662 HydrophobicContact CB-CG2 4.28Å; N658-I662 WeakPolarHBondContact O-CB 3.4Å; N658-I662 WeakPolarHBondContact O-CD1 3.37Å; N658-I662 VanDerWaalsContact O-CG1 3.3Å; N658-I662 WeakPolarHBondContact O-CG1 3.49Å; N658-I662 PolarHBondContact O-N 2.92Å; L660-I662 PolarHBondContact O-N 2.84Å; I662-A664 VanDerWaalsContact C-N 3.28Å; I662-A664 PolarHBondContact O-N 3.13Å; I662-W665 PolarHBondContact O-N 2.98Å; I662-N666 PolarHBondContact O-N 2.9Å; I662-N666 PolarHBondContact O-OD1 3.48Å
663	S	90.6	Very high	89.7	Confident	14 Å²	14	16.2 Å²	16.2	10%	0.098	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-36.3	164	-169.8	0	0	0	0	111.8	S614 G659 L660 S667	S614-S663 VanDerWaalsContact CB-OG 3.27Å; S614-S663 WeakPolarHBondContact CB-OG 3.39Å; G659-S663 PolarHBondContact O-N 3.19Å; L660-S663 WeakPolarHBondContact O-CB 3.14Å; L660-S663 PolarHBondContact O-N 2.9Å; S663-S667 WeakPolarHBondContact O-CB 3.48Å; S663-S667 PolarHBondContact O-N 2.96Å
664	A	92.6	Very high	89.7	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.7	-46.7	173.1	0	0	0	0	0	112.2	L456 L627 S630 M631 L660 S661 I662 S667 L668	L456-A664 HydrophobicContact CD1-CB 4.02Å; L456-A664 HydrophobicContact CD2-CB 3.94Å; L627-A664 HydrophobicContact CD1-CB 4.41Å; L627-A664 WeakPolarHBondContact CD1-O 3.36Å; S630-A664 VanDerWaalsContact OG-CA 3.27Å; S630-A664 WeakPolarHBondContact OG-CA 3.38Å; S630-A664 VanDerWaalsContact OG-CB 3.32Å; S630-A664 WeakPolarHBondContact OG-CB 3.48Å; S630-A664 PolarHBondContact OG-N 3.17Å; M631-A664 HydrophobicContact CG-CB 3.56Å; L660-A664 PolarHBondContact O-N 2.88Å; L660-A664 VanDerWaalsContact O-N 3.11Å; S661-A664 VanDerWaalsContact O-CB 3.31Å; S661-A664 WeakPolarHBondContact O-CB 3.29Å; S661-A664 PolarHBondContact O-N 2.79Å; I662-A664 VanDerWaalsContact C-N 3.28Å; I662-A664 PolarHBondContact O-N 3.13Å; A664-S667 PolarHBondContact O-N 2.91Å; A664-S667 VanDerWaalsContact O-N 3.17Å; A664-L668 WeakPolarHBondContact O-CB 3.4Å; A664-L668 PolarHBondContact O-N 2.88Å
665	W	92.1	Very high	89.8	Confident	23 Å²	23	14.1 Å²	14.1	9%	0.087	8%	0.081	C	C	.	.	H	α-helix	trans	-55.4	-55.7	177.2	-76.9	120.8	0	0	0	112.1	W453 L456 Y460 Y461 S661 I662 S667 L668 D669 C692	W453-W665 AromaticContact CE3-CZ3 3.8Å; W453-W665 HydrophobicContact CE3-CZ3 3.8Å; W453-W665 HydrophobicContact CZ3-CE3 4.32Å; W453-W665 AromaticContact CZ3-CZ3 3.76Å; W453-W665 HydrophobicContact CZ3-CZ3 3.76Å; L456-W665 HydrophobicContact CB-CH2 4.46Å; L456-W665 HydrophobicContact CD2-CD2 3.56Å; L456-W665 HydrophobicContact CD2-CE3 3.62Å; L456-W665 HydrophobicContact CD2-CG 4.01Å; L456-W665 HydrophobicContact CD2-CH2 4.35Å; L456-W665 HydrophobicContact CD2-CZ2 4.33Å; L456-W665 HydrophobicContact CD2-CZ3 4.01Å; L456-W665 HydrophobicContact CG-CD2 3.97Å; L456-W665 HydrophobicContact CG-CE3 4.2Å; L456-W665 HydrophobicContact CG-CH2 4.06Å; L456-W665 HydrophobicContact CG-CZ2 3.84Å; L456-W665 HydrophobicContact CG-CZ3 4.23Å; Y460-W665 AromaticContact CD1-CE2 3.85Å; Y460-W665 AromaticContact CD1-CZ2 3.89Å; Y460-W665 HydrophobicContact CD1-CZ2 3.89Å; Y460-W665 AromaticContact CD1-NE1 3.24Å; Y460-W665 AromaticContact CD2-NE1 3.8Å; Y460-W665 AromaticContact CE1-NE1 3.64Å; Y460-W665 HydrophobicContact CG-CZ2 4.19Å; Y460-W665 AromaticContact CG-NE1 3.33Å; Y460-W665 VanDerWaalsContact CG-NE1 3.33Å; Y461-W665 HydrophobicContact CD2-CZ2 4.12Å; Y461-W665 AromaticContact CE2-CH2 3.82Å; Y461-W665 HydrophobicContact CE2-CH2 3.82Å; Y461-W665 AromaticContact CE2-CZ2 3.54Å; Y461-W665 HydrophobicContact CE2-CZ2 3.54Å; S661-W665 PolarHBondContact O-N 3.27Å; I662-W665 PolarHBondContact O-N 2.98Å; W665-S667 PolarHBondContact O-N 2.94Å; W665-L668 HydrophobicContact CE3-CD2 4.42Å; W665-L668 HydrophobicContact CZ3-CD2 4.37Å; W665-L668 WeakPolarHBondContact O-CB 3.33Å; W665-L668 PolarHBondContact O-N 3.48Å; W665-D669 PolarHBondContact O-N 2.86Å; W665-C692 VanDerWaalsContact CH2-SG 3.53Å
666	N	91	Very high	89.9	Confident	4 Å²	4	11.8 Å²	11.8	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-53.6	-39.5	176.6	-73.3	6.5	0	0	0	112.2	C296 N611 S614 I662 V670	C296-N666 HydrophobicContact CB-CB 4.3Å; C296-N666 WeakPolarHBondContact CB-OD1 3.47Å; N611-N666 PolarHBondContact ND2-ND2 3.44Å; N611-N666 VanDerWaalsContact ND2-ND2 3.16Å; N611-N666 PolarHBondContact ND2-OD1 3.39Å; N611-N666 PolarHBondContact OD1-ND2 3.05Å; S614-N666 PolarHBondContact OG-ND2 3.28Å; I662-N666 PolarHBondContact O-N 2.9Å; I662-N666 PolarHBondContact O-OD1 3.48Å; N666-V670 VanDerWaalsContact O-CG2 3.32Å; N666-V670 WeakPolarHBondContact O-CG2 3.21Å
667	S	90.6	Very high	89.6	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-73.3	-30.7	179.3	-154.4	0	0	0	0	113.2	R623 L627 S663 A664 W665 V671	R623-S667 PolarHBondContact O-OG 3.04Å; L627-S667 PolarHBondContact N-OG 3.05Å; S663-S667 WeakPolarHBondContact O-CB 3.48Å; S663-S667 PolarHBondContact O-N 2.96Å; A664-S667 PolarHBondContact O-N 2.91Å; A664-S667 VanDerWaalsContact O-N 3.17Å; W665-S667 PolarHBondContact O-N 2.94Å; S667-V671 WeakPolarHBondContact O-CB 3.3Å; S667-V671 WeakPolarHBondContact O-CG2 3.04Å; S667-V671 PolarHBondContact O-N 2.89Å; S667-V671 VanDerWaalsContact O-N 3.14Å
668	L	93.3	Very high	89	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-72.8	-43.8	179.7	-176.2	56.3	0	0	0	111.8	L449 V452 W453 L456 L627 A664 W665 V670 V671 T672	L449-L668 HydrophobicContact CD2-CD1 4.1Å; V452-L668 HydrophobicContact CB-CD1 4.27Å; V452-L668 HydrophobicContact CG1-CD1 3.64Å; V452-L668 HydrophobicContact CG1-CD2 4.1Å; V452-L668 HydrophobicContact CG1-CG 4.48Å; W453-L668 HydrophobicContact CB-CD2 4.38Å; W453-L668 HydrophobicContact CD2-CD2 3.53Å; W453-L668 HydrophobicContact CD2-CG 3.94Å; W453-L668 HydrophobicContact CE3-CD2 3.86Å; W453-L668 HydrophobicContact CG-CD1 4.38Å; W453-L668 HydrophobicContact CG-CD2 3.72Å; W453-L668 HydrophobicContact CG-CG 4.21Å; W453-L668 HydrophobicContact CZ2-CD2 4.46Å; W453-L668 HydrophobicContact CZ2-CG 4.12Å; W453-L668 HydrophobicContact CZ3-CD2 4.48Å; L456-L668 HydrophobicContact CD2-CD2 3.81Å; L627-L668 HydrophobicContact CD1-CB 3.88Å; L627-L668 HydrophobicContact CD1-CD1 4.35Å; L627-L668 HydrophobicContact CD2-CD1 4.16Å; A664-L668 WeakPolarHBondContact O-CB 3.4Å; A664-L668 PolarHBondContact O-N 2.88Å; W665-L668 HydrophobicContact CE3-CD2 4.42Å; W665-L668 HydrophobicContact CZ3-CD2 4.37Å; W665-L668 WeakPolarHBondContact O-CB 3.33Å; W665-L668 PolarHBondContact O-N 3.48Å; L668-V670 PolarHBondContact O-N 3.09Å; L668-V671 PolarHBondContact O-N 2.85Å; L668-T672 VanDerWaalsContact O-CB 3.29Å; L668-T672 WeakPolarHBondContact O-CB 3.33Å; L668-T672 PolarHBondContact O-N 3.42Å; L668-T672 PolarHBondContact O-OG1 3.47Å
669	D	92.2	Very high	88.5	Confident	20 Å²	20	8.9 Å²	8.9	11%	0.107	5%	0.052	C	C	.	.	H	α-helix	trans	-55.1	-53.5	175.8	-71.3	-38.8	0	0	0	110.6	F276 W453 W665 V671 T672 T673 F685	F276-D669 HydrophobicContact CD1-CB 4.16Å; F276-D669 HydrophobicContact CE1-CB 3.78Å; F276-D669 HydrophobicContact CE2-CB 4.29Å; F276-D669 HydrophobicContact CZ-CB 3.86Å; W453-D669 VanDerWaalsContact CH2-OD1 3.26Å; W453-D669 WeakPolarHBondContact CH2-OD1 3.37Å; W665-D669 PolarHBondContact O-N 2.86Å; D669-V671 PolarHBondContact O-N 3.4Å; D669-T672 WeakPolarHBondContact O-CB 3.24Å; D669-T672 PolarHBondContact O-N 2.91Å; D669-T672 VanDerWaalsContact O-N 3.16Å; D669-T673 PolarHBondContact O-N 3.5Å; D669-F685 HydrophobicContact CB-CZ 4.24Å; D669-F685 WeakPolarHBondContact O-CE1 3.41Å
670	V	90.1	Very high	88.3	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.6	-49.4	-179	178.4	0	0	0	0	111.6	L292 M618 N666 L668 T672 T673 E674	L292-V670 HydrophobicContact CB-CG2 3.71Å; L292-V670 HydrophobicContact CD1-CG1 4.26Å; M618-V670 HydrophobicContact CE-CB 3.55Å; M618-V670 HydrophobicContact CE-CG1 3.71Å; M618-V670 HydrophobicContact CE-CG2 3.75Å; M618-V670 HydrophobicContact SD-CB 4.49Å; M618-V670 HydrophobicContact SD-CG1 4.43Å; M618-V670 HydrophobicContact SD-CG2 4.14Å; N666-V670 VanDerWaalsContact O-CG2 3.32Å; N666-V670 WeakPolarHBondContact O-CG2 3.21Å; L668-V670 PolarHBondContact O-N 3.09Å; V670-T672 PolarHBondContact O-N 3.36Å; V670-T673 PolarHBondContact O-N 3.01Å; V670-T673 VanDerWaalsContact O-N 3.16Å; V670-T673 PolarHBondContact O-OG1 2.91Å; V670-E674 PolarHBondContact O-N 3.41Å
671	V	91	Very high	88.2	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.1	-33.1	179.1	172.8	0	0	0	0	110.9	L449 R623 L624 S667 L668 D669 E674 S675 L732	L449-V671 HydrophobicContact CD2-CG1 4.3Å; R623-V671 HydrophobicContact CB-CG2 3.7Å; L624-V671 HydrophobicContact CD2-CG1 3.82Å; L624-V671 HydrophobicContact CD2-CG2 4.01Å; S667-V671 WeakPolarHBondContact O-CB 3.3Å; S667-V671 WeakPolarHBondContact O-CG2 3.04Å; S667-V671 PolarHBondContact O-N 2.89Å; S667-V671 VanDerWaalsContact O-N 3.14Å; L668-V671 PolarHBondContact O-N 2.85Å; D669-V671 PolarHBondContact O-N 3.4Å; V671-E674 PolarHBondContact O-N 3Å; V671-S675 WeakPolarHBondContact O-CB 3.26Å; V671-S675 PolarHBondContact O-N 3.38Å; V671-S675 PolarHBondContact O-OG 2.92Å; V671-L732 HydrophobicContact CG1-CD1 4.12Å
672	T	91.8	Very high	88.2	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-67.4	-39.5	175.3	-54.2	0	0	0	0	111.7	W453 L668 D669 V670 E674 F676 F685 C688	W453-T672 HydrophobicContact CZ2-CG2 4.32Å; W453-T672 PolarHBondContact NE1-OG1 2.95Å; L668-T672 VanDerWaalsContact O-CB 3.29Å; L668-T672 WeakPolarHBondContact O-CB 3.33Å; L668-T672 PolarHBondContact O-N 3.42Å; L668-T672 PolarHBondContact O-OG1 3.47Å; D669-T672 WeakPolarHBondContact O-CB 3.24Å; D669-T672 PolarHBondContact O-N 2.91Å; D669-T672 VanDerWaalsContact O-N 3.16Å; V670-T672 PolarHBondContact O-N 3.36Å; T672-E674 VanDerWaalsContact C-N 3.34Å; T672-E674 PolarHBondContact O-N 2.77Å; T672-F676 HydrophobicContact CG2-CD2 4.29Å; T672-F676 HydrophobicContact CG2-CE2 3.96Å; T672-F676 WeakPolarHBondContact O-CD2 3.29Å; T672-F685 HydrophobicContact CG2-CB 4.07Å; T672-F685 HydrophobicContact CG2-CD1 3.51Å; T672-F685 HydrophobicContact CG2-CD2 4.29Å; T672-F685 HydrophobicContact CG2-CE1 3.97Å; T672-F685 HydrophobicContact CG2-CG 3.69Å; T672-C688 HydrophobicContact CG2-CB 4.44Å
673	T	89.1	Confident	88.3	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.9	-40.7	174.3	63.2	0	0	0	0	113.2	F276 D669 V670 R681 F685	F276-T673 HydrophobicContact CB-CG2 3.6Å; F276-T673 HydrophobicContact CD1-CG2 4.17Å; F276-T673 HydrophobicContact CG-CG2 4.32Å; D669-T673 PolarHBondContact O-N 3.5Å; V670-T673 PolarHBondContact O-N 3.01Å; V670-T673 VanDerWaalsContact O-N 3.16Å; V670-T673 PolarHBondContact O-OG1 2.91Å; T673-R681 WeakPolarHBondContact O-CD 3.29Å; T673-R681 PolarHBondContact O-NE 2.92Å; T673-F685 HydrophobicContact CG2-CD1 4.07Å; T673-F685 HydrophobicContact CG2-CE1 3.77Å
674	E	87.5	Confident	88.3	Confident	16 Å²	16	7.6 Å²	7.6	8%	0.075	4%	0.039	C	C	.	.	H	α-helix	trans	-86.6	-13	-174.3	-62.4	-169	145.6	0	0	114.1	R288 R623 V670 V671 T672 F676 T735 L740	R288-E674 IonicContact CZ-OE1 2.76Å; R288-E674 IonicContact NE-OE1 3.46Å; R288-E674 PolarHBondContact NE-OE1 3.08Å; R288-E674 IonicContact NH2-OE1 2.69Å; R288-E674 PolarHBondContact NH2-OE1 2.99Å; R623-E674 IonicContact CZ-OE1 3.29Å; R623-E674 IonicContact CZ-OE2 2.85Å; R623-E674 IonicContact NE-OE2 3.39Å; R623-E674 IonicContact NH1-OE1 3.65Å; R623-E674 PolarHBondContact NH1-OE1 3.24Å; R623-E674 IonicContact NH1-OE2 2.88Å; R623-E674 PolarHBondContact NH1-OE2 2.8Å; R623-E674 IonicContact NH2-OE1 2.61Å; R623-E674 PolarHBondContact NH2-OE1 3.37Å; R623-E674 IonicContact NH2-OE2 3.79Å; V670-E674 PolarHBondContact O-N 3.41Å; V671-E674 PolarHBondContact O-N 3Å; T672-E674 VanDerWaalsContact C-N 3.34Å; T672-E674 PolarHBondContact O-N 2.77Å; E674-F676 VanDerWaalsContact C-N 3.34Å; E674-T735 HydrophobicContact CB-CG2 3.87Å; E674-T735 WeakPolarHBondContact OE2-CB 3.5Å; E674-T735 PolarHBondContact OE2-OG1 3.3Å; E674-L740 HydrophobicContact CB-CD2 4.25Å; E674-L740 HydrophobicContact CG-CD2 4.22Å
675	S	86.4	Confident	88.3	Confident	14 Å²	14	7.6 Å²	7.6	10%	0.098	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.4	178.2	-63.6	0	0	0	0	113.8	V671	V671-S675 WeakPolarHBondContact O-CB 3.26Å; V671-S675 PolarHBondContact O-N 3.38Å; V671-S675 PolarHBondContact O-OG 2.92Å
676	F	86.1	Confident	88.4	Confident	4 Å²	4	6.5 Å²	6.5	2%	0.018	4%	0.035	C	C	.	.	S	Bend	trans	-118.4	140.8	-177	-67.1	-64.1	0	0	0	112.7	C437 T446 L449 T672 E674 R681 G684	C437-F676 HydrophobicContact CB-CE1 4.44Å; T446-F676 HydrophobicContact CG2-CE1 4.44Å; T446-F676 HydrophobicContact CG2-CZ 4.38Å; L449-F676 HydrophobicContact CD1-CE2 4.03Å; L449-F676 HydrophobicContact CD1-CZ 4.2Å; T672-F676 HydrophobicContact CG2-CD2 4.29Å; T672-F676 HydrophobicContact CG2-CE2 3.96Å; T672-F676 WeakPolarHBondContact O-CD2 3.29Å; E674-F676 VanDerWaalsContact C-N 3.34Å; F676-R681 HydrophobicContact CB-CB 4.28Å; F676-R681 HydrophobicContact CB-CG 4.28Å; F676-R681 PolarHBondContact O-NE 3.41Å; F676-R681 PolarHBondContact O-NH2 3Å; F676-G684 VanDerWaalsContact CE2-C 3.41Å
677	P	81.9	Confident	88.5	Confident	9 Å²	9	8.2 Å²	8.2	6%	0.058	4%	0.042	C	C	.	.			trans	-72.6	154.4	176.7	34.9	-37.6	0	0	0	110.1	M442 V679 R680 R681 M741	M442-P677 HydrophobicContact CE-CB 4.09Å; M442-P677 HydrophobicContact CE-CG 3.67Å; M442-P677 WeakPolarHBondContact SD-CD 3.35Å; M442-P677 HydrophobicContact SD-CG 3.72Å; P677-V679 PolarHBondContact O-N 3.49Å; P677-R680 HydrophobicContact CG-CB 4.2Å; P677-R680 HydrophobicContact CG-CG 4.44Å; P677-R680 CarbonylContact O-C 3.59Å; P677-R680 PolarHBondContact O-N 3.14Å; P677-R681 WeakPolarHBondContact O-CB 3.32Å; P677-R681 PolarHBondContact O-N 3.36Å; P677-M741 CarbonylContact C-O 3.59Å; P677-M741 VanDerWaalsContact CA-O 3.24Å; P677-M741 WeakPolarHBondContact CA-O 3.43Å; P677-M741 HydrophobicContact CB-CB 3.83Å
678	T	77.4	Confident	88.7	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-64.9	-41.3	-162.6	-56.7	0	0	0	0	112.4	E281 R358 E362 R680 R681 M741	E281-T678 HydrophobicContact CG-CG2 3.76Å; E281-T678 VanDerWaalsContact OE1-CG2 3.28Å; E281-T678 WeakPolarHBondContact OE1-CG2 3.32Å; R358-T678 HydrophobicContact CG-CG2 3.95Å; R358-T678 PolarHBondContact NE-OG1 3.49Å; R358-T678 PolarHBondContact NH2-OG1 2.63Å; E362-T678 WeakPolarHBondContact OE1-CB 3.45Å; E362-T678 WeakPolarHBondContact OE1-CG2 3.35Å; T678-R680 PolarHBondContact O-N 3.1Å; T678-R681 VanDerWaalsContact CG2-NH1 3.34Å; T678-R681 PolarHBondContact O-N 3.29Å; T678-R681 PolarHBondContact OG1-NH1 3.18Å; T678-R681 PolarHBondContact OG1-NH2 3.47Å; T678-M741 WeakPolarHBondContact CB-O 3.38Å; T678-M741 PolarHBondContact N-O 3.04Å; T678-M741 PolarHBondContact N-OXT 3.42Å; T678-M741 PolarHBondContact OG1-O 3.28Å
679	V	77.4	Confident	88.7	Confident	38 Å²	38	8.4 Å²	8.4	23%	0.23	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-56.9	-17.7	173.3	-176	0	0	0	0	114.2	E362 P677	E362-V679 HydrophobicContact CG-CG2 4.02Å; E362-V679 PolarHBondContact OE1-N 3.03Å; P677-V679 PolarHBondContact O-N 3.49Å
680	R	82.8	Confident	88.8	Confident	28 Å²	28	7.9 Å²	7.9	11%	0.106	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-135.7	10.6	-171.2	-47.4	173.2	-157.2	160.6	11.2	112.7	D141 E144 D226 P677 T678 G684	D141-R680 IonicContact OD1-NH2 2.73Å; E144-R680 IonicContact OE2-NH2 3.5Å; E144-R680 PolarHBondContact OE2-NH2 2.8Å; D226-R680 VanDerWaalsContact OD2-C 3.3Å; D226-R680 WeakPolarHBondContact OD2-CA 3.32Å; P677-R680 HydrophobicContact CG-CB 4.2Å; P677-R680 HydrophobicContact CG-CG 4.44Å; P677-R680 CarbonylContact O-C 3.59Å; P677-R680 PolarHBondContact O-N 3.14Å; T678-R680 PolarHBondContact O-N 3.1Å; R680-G684 PolarHBondContact O-N 3.47Å
681	R	88.9	Confident	89	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-71.5	-45.7	-169.4	-175.3	-179.7	-72	112.4	21	112.4	S277 E281 T673 F676 P677 T678 T683 G684 F685 M741	S277-R681 WeakPolarHBondContact OG-CD 3.18Å; S277-R681 WeakPolarHBondContact OG-CG 3.4Å; E281-R681 IonicContact OE1-NH1 3.7Å; T673-R681 WeakPolarHBondContact O-CD 3.29Å; T673-R681 PolarHBondContact O-NE 2.92Å; F676-R681 HydrophobicContact CB-CB 4.28Å; F676-R681 HydrophobicContact CB-CG 4.28Å; F676-R681 PolarHBondContact O-NE 3.41Å; F676-R681 PolarHBondContact O-NH2 3Å; P677-R681 WeakPolarHBondContact O-CB 3.32Å; P677-R681 PolarHBondContact O-N 3.36Å; T678-R681 VanDerWaalsContact CG2-NH1 3.34Å; T678-R681 PolarHBondContact O-N 3.29Å; T678-R681 PolarHBondContact OG1-NH1 3.18Å; T678-R681 PolarHBondContact OG1-NH2 3.47Å; R681-T683 VanDerWaalsContact C-N 3.32Å; R681-T683 PolarHBondContact O-N 3Å; R681-G684 PolarHBondContact O-N 2.96Å; R681-F685 WeakPolarHBondContact O-CB 3.45Å; R681-F685 PolarHBondContact O-N 2.76Å; R681-M741 PolarHBondContact NH2-O 3.41Å
682	G	89.4	Confident	89.1	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.6	-40.5	176.2	0	0	0	0	0	111.5	G222 D226 G686	G222-G682 CarbonylContact C-O 3.53Å; G222-G682 VanDerWaalsContact C-O 3.32Å; G222-G682 VanDerWaalsContact CA-O 3.27Å; G222-G682 WeakPolarHBondContact CA-O 3.38Å; G222-G682 CarbonylContact O-C 3.56Å; G222-G682 VanDerWaalsContact O-CA 3.29Å; G222-G682 WeakPolarHBondContact O-CA 3.35Å; D226-G682 WeakPolarHBondContact OD1-CA 3.07Å; D226-G682 PolarHBondContact OD1-N 3.18Å; G682-G686 WeakPolarHBondContact O-CA 3.4Å; G682-G686 PolarHBondContact O-N 2.95Å
683	T	91.3	Very high	89.2	Confident	2 Å²	2	10.2 Å²	10.2	1%	0.012	5%	0.054	C	C	.	.	H	α-helix	trans	-62.5	-48.8	175.4	-54.2	0	0	0	0	111.5	G222 D226 N433 L434 R681 F687	G222-T683 PolarHBondContact O-N 3.26Å; D226-T683 VanDerWaalsContact OD2-CB 3.28Å; D226-T683 WeakPolarHBondContact OD2-CB 3.34Å; D226-T683 PolarHBondContact OD2-N 2.66Å; D226-T683 PolarHBondContact OD2-OG1 2.9Å; N433-T683 HydrophobicContact CB-CG2 4.07Å; L434-T683 HydrophobicContact CB-CG2 4.04Å; L434-T683 HydrophobicContact CD1-CG2 4.42Å; R681-T683 VanDerWaalsContact C-N 3.32Å; R681-T683 PolarHBondContact O-N 3Å; T683-F687 WeakPolarHBondContact O-CB 3.42Å; T683-F687 PolarHBondContact O-N 2.89Å
684	G	91.1	Very high	89.4	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-47.7	-179.4	0	0	0	0	0	113.5	F676 R680 R681 C688	F676-G684 VanDerWaalsContact CE2-C 3.41Å; R680-G684 PolarHBondContact O-N 3.47Å; R681-G684 PolarHBondContact O-N 2.96Å; G684-C688 PolarHBondContact O-N 3.31Å; G684-C688 PolarHBondContact O-SG 3.41Å
685	F	93.2	Very high	89.6	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.7	-46	176.3	-160.3	127.3	0	0	0	110.6	V272 P273 F276 W453 D669 T672 T673 R681 F687 C688 N689	V272-F685 HydrophobicContact CG1-CE2 3.84Å; V272-F685 HydrophobicContact CG1-CZ 4.07Å; P273-F685 HydrophobicContact CB-CB 3.89Å; P273-F685 HydrophobicContact CB-CD2 3.62Å; P273-F685 HydrophobicContact CB-CE2 4.42Å; P273-F685 HydrophobicContact CB-CG 3.91Å; F276-F685 HydrophobicContact CB-CE1 3.93Å; F276-F685 HydrophobicContact CB-CZ 4.3Å; F276-F685 HydrophobicContact CD2-CZ 4.41Å; F276-F685 HydrophobicContact CG-CE1 4.34Å; F276-F685 HydrophobicContact CG-CZ 4.38Å; W453-F685 AromaticContact CH2-CE2 3.81Å; W453-F685 HydrophobicContact CH2-CE2 3.81Å; W453-F685 HydrophobicContact CH2-CZ 4.15Å; W453-F685 HydrophobicContact CZ2-CD2 4.38Å; W453-F685 AromaticContact CZ2-CE2 3.71Å; W453-F685 HydrophobicContact CZ2-CE2 3.71Å; W453-F685 AromaticContact CZ2-CZ 3.9Å; W453-F685 HydrophobicContact CZ2-CZ 3.9Å; D669-F685 HydrophobicContact CB-CZ 4.24Å; D669-F685 WeakPolarHBondContact O-CE1 3.41Å; T672-F685 HydrophobicContact CG2-CB 4.07Å; T672-F685 HydrophobicContact CG2-CD1 3.51Å; T672-F685 HydrophobicContact CG2-CD2 4.29Å; T672-F685 HydrophobicContact CG2-CE1 3.97Å; T672-F685 HydrophobicContact CG2-CG 3.69Å; T673-F685 HydrophobicContact CG2-CD1 4.07Å; T673-F685 HydrophobicContact CG2-CE1 3.77Å; R681-F685 WeakPolarHBondContact O-CB 3.45Å; R681-F685 PolarHBondContact O-N 2.76Å; F685-F687 VanDerWaalsContact C-N 3.3Å; F685-F687 PolarHBondContact O-N 2.87Å; F685-C688 PolarHBondContact O-N 3.5Å; F685-N689 HydrophobicContact CD2-CB 4.37Å; F685-N689 WeakPolarHBondContact O-CB 3.07Å; F685-N689 PolarHBondContact O-N 2.86Å
686	G	93.4	Very high	89.8	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.8	-39.7	179.3	0	0	0	0	0	113.2	A218 G682 A690	A218-G686 CarbonylContact C-O 3.57Å; A218-G686 WeakPolarHBondContact O-CA 3.33Å; G682-G686 WeakPolarHBondContact O-CA 3.4Å; G682-G686 PolarHBondContact O-N 2.95Å; G686-A690 WeakPolarHBondContact O-CB 3.32Å; G686-A690 PolarHBondContact O-N 3.15Å
687	F	94.1	Very high	90	Very high	40 Å²	40	12.8 Å²	12.8	18%	0.175	7%	0.068	C	C	.	.	H	α-helix	trans	-64.6	-45.3	171.6	174.9	-97.6	0	0	0	112.9	F219 L434 F438 A450 T683 F685 N689 A690 L691	F219-F687 HydrophobicContact CD2-CD2 4.37Å; F219-F687 HydrophobicContact CE2-CD2 4.36Å; L434-F687 HydrophobicContact CD1-CB 3.79Å; L434-F687 HydrophobicContact CD1-CD2 3.7Å; L434-F687 HydrophobicContact CD1-CE2 4.47Å; L434-F687 HydrophobicContact CD1-CG 3.74Å; F438-F687 HydrophobicContact CE2-CD1 4.47Å; F438-F687 HydrophobicContact CE2-CE1 4.08Å; F438-F687 HydrophobicContact CE2-CE2 4.42Å; F438-F687 HydrophobicContact CE2-CZ 4.05Å; F438-F687 HydrophobicContact CZ-CD1 4.24Å; F438-F687 AromaticContact CZ-CE1 3.53Å; F438-F687 HydrophobicContact CZ-CE1 3.53Å; F438-F687 HydrophobicContact CZ-CE2 4.45Å; F438-F687 AromaticContact CZ-CZ 3.65Å; F438-F687 HydrophobicContact CZ-CZ 3.65Å; A450-F687 HydrophobicContact CB-CE1 4.48Å; T683-F687 WeakPolarHBondContact O-CB 3.42Å; T683-F687 PolarHBondContact O-N 2.89Å; F685-F687 VanDerWaalsContact C-N 3.3Å; F685-F687 PolarHBondContact O-N 2.87Å; F687-N689 PolarHBondContact O-N 2.89Å; F687-A690 WeakPolarHBondContact O-CB 3.36Å; F687-A690 PolarHBondContact O-N 2.86Å; F687-L691 HydrophobicContact CD1-CD1 4.24Å; F687-L691 HydrophobicContact CE1-CD1 3.44Å; F687-L691 VanDerWaalsContact CE1-CD1 3.44Å; F687-L691 HydrophobicContact CE1-CG 4.09Å; F687-L691 HydrophobicContact CE2-CG 4.43Å; F687-L691 HydrophobicContact CZ-CD1 3.61Å; F687-L691 HydrophobicContact CZ-CD2 4.31Å; F687-L691 HydrophobicContact CZ-CG 3.97Å; F687-L691 PolarHBondContact O-N 3.48Å
688	C	94.2	Very high	90.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.8	-40.3	177.7	-66.9	0	0	0	0	112.2	W453 T672 G684 F685 L691 C692	W453-C688 HydrophobicContact CD2-CB 4.25Å; W453-C688 HydrophobicContact CG-CB 3.93Å; T672-C688 HydrophobicContact CG2-CB 4.44Å; G684-C688 PolarHBondContact O-N 3.31Å; G684-C688 PolarHBondContact O-SG 3.41Å; F685-C688 PolarHBondContact O-N 3.5Å; C688-L691 PolarHBondContact O-N 3.38Å; C688-C692 PolarHBondContact O-N 3.01Å
689	N	93.3	Very high	90.9	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-67.6	-35.8	173.7	-173.4	27.6	0	0	0	111.7	A218 G269 F685 F687 C692 K693	A218-N689 HydrophobicContact CB-CB 4.07Å; A218-N689 WeakPolarHBondContact CB-ND2 3.35Å; G269-N689 PolarHBondContact O-ND2 3.5Å; F685-N689 HydrophobicContact CD2-CB 4.37Å; F685-N689 WeakPolarHBondContact O-CB 3.07Å; F685-N689 PolarHBondContact O-N 2.86Å; F687-N689 PolarHBondContact O-N 2.89Å; N689-C692 VanDerWaalsContact O-CB 3.23Å; N689-C692 WeakPolarHBondContact O-CB 3.18Å; N689-C692 PolarHBondContact O-N 2.86Å; N689-K693 WeakPolarHBondContact O-CG 3.37Å; N689-K693 PolarHBondContact O-N 2.78Å; N689-K693 VanDerWaalsContact OD1-CE 3.28Å; N689-K693 WeakPolarHBondContact OD1-CE 3.49Å
690	A	94.6	Very high	91.2	Very high	10 Å²	10	14.7 Å²	14.7	8%	0.083	8%	0.076	C	C	.	.	H	α-helix	trans	-61.7	-44.4	172.1	0	0	0	0	0	111.9	M215 A218 F219 G686 F687 C692 K693 L694	M215-A690 HydrophobicContact CG-CB 4.18Å; M215-A690 WeakPolarHBondContact CG-O 3.45Å; M215-A690 WeakPolarHBondContact O-CB 3.4Å; A218-A690 HydrophobicContact CB-CB 4.38Å; F219-A690 HydrophobicContact CB-CB 4.14Å; G686-A690 WeakPolarHBondContact O-CB 3.32Å; G686-A690 PolarHBondContact O-N 3.15Å; F687-A690 WeakPolarHBondContact O-CB 3.36Å; F687-A690 PolarHBondContact O-N 2.86Å; A690-C692 VanDerWaalsContact C-N 3.29Å; A690-C692 PolarHBondContact O-N 2.75Å; A690-K693 PolarHBondContact O-N 3.31Å; A690-L694 PolarHBondContact O-N 3.36Å
691	L	94.2	Very high	91.2	Very high	39 Å²	39	18.1 Å²	18.1	20%	0.204	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-36.1	172.4	-71.1	-179.1	0	0	0	112.7	A450 F687 C688 L694 A695	A450-L691 HydrophobicContact CB-CD1 3.54Å; F687-L691 HydrophobicContact CD1-CD1 4.24Å; F687-L691 HydrophobicContact CE1-CD1 3.44Å; F687-L691 VanDerWaalsContact CE1-CD1 3.44Å; F687-L691 HydrophobicContact CE1-CG 4.09Å; F687-L691 HydrophobicContact CE2-CG 4.43Å; F687-L691 HydrophobicContact CZ-CD1 3.61Å; F687-L691 HydrophobicContact CZ-CD2 4.31Å; F687-L691 HydrophobicContact CZ-CG 3.97Å; F687-L691 PolarHBondContact O-N 3.48Å; C688-L691 PolarHBondContact O-N 3.38Å; L691-L694 HydrophobicContact CD2-CD2 4.42Å; L691-L694 PolarHBondContact O-N 2.84Å; L691-A695 VanDerWaalsContact O-CB 3.32Å; L691-A695 WeakPolarHBondContact O-CB 3.09Å; L691-A695 PolarHBondContact O-N 3.34Å
692	C	93.3	Very high	91.2	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-50.5	172.5	178.8	0	0	0	0	111.8	W453 S457 W665 C688 N689 A690 L694 A695 A696	W453-C692 HydrophobicContact CD2-CB 4.43Å; W453-C692 HydrophobicContact CE3-CB 3.49Å; W453-C692 VanDerWaalsContact CE3-CB 3.49Å; W453-C692 HydrophobicContact CZ3-CB 3.98Å; S457-C692 WeakPolarHBondContact CB-O 3.37Å; S457-C692 PolarHBondContact OG-O 3.32Å; W665-C692 VanDerWaalsContact CH2-SG 3.53Å; C688-C692 PolarHBondContact O-N 3.01Å; N689-C692 VanDerWaalsContact O-CB 3.23Å; N689-C692 WeakPolarHBondContact O-CB 3.18Å; N689-C692 PolarHBondContact O-N 2.86Å; A690-C692 VanDerWaalsContact C-N 3.29Å; A690-C692 PolarHBondContact O-N 2.75Å; C692-L694 PolarHBondContact O-N 2.84Å; C692-A695 PolarHBondContact O-N 3.28Å; C692-A696 PolarHBondContact O-N 3.31Å
693	K	92.8	Very high	91	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.03	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-33.8	179.9	-54.9	-59	174	176.1	0	112.2	Y211 M214 M215 N689 A690 A696 V697	Y211-K693 HydrophobicContact CD1-CD 4.19Å; M214-K693 HydrophobicContact CB-CD 4.15Å; M214-K693 HydrophobicContact CB-CG 3.92Å; M214-K693 HydrophobicContact SD-CD 4.06Å; M215-K693 HydrophobicContact CB-CB 3.94Å; N689-K693 WeakPolarHBondContact O-CG 3.37Å; N689-K693 PolarHBondContact O-N 2.78Å; N689-K693 VanDerWaalsContact OD1-CE 3.28Å; N689-K693 WeakPolarHBondContact OD1-CE 3.49Å; A690-K693 PolarHBondContact O-N 3.31Å; K693-A696 PolarHBondContact O-N 2.95Å; K693-V697 WeakPolarHBondContact O-CG2 3.49Å; K693-V697 PolarHBondContact O-N 2.86Å; K693-V697 VanDerWaalsContact O-N 3.13Å
694	L	93.2	Very high	90.5	Very high	66 Å²	66	23.1 Å²	23.1	35%	0.346	13%	0.129	S	C	.	.	H	α-helix	trans	-60.8	-46.7	170	178.7	61.1	0	0	0	112	M215 A690 L691 C692 A696 V697 L698	M215-L694 HydrophobicContact SD-CB 3.82Å; M215-L694 HydrophobicContact SD-CD1 4.05Å; M215-L694 HydrophobicContact SD-CG 4.42Å; A690-L694 PolarHBondContact O-N 3.36Å; L691-L694 HydrophobicContact CD2-CD2 4.42Å; L691-L694 PolarHBondContact O-N 2.84Å; C692-L694 PolarHBondContact O-N 2.84Å; L694-A696 VanDerWaalsContact C-N 3.3Å; L694-A696 PolarHBondContact O-N 3.38Å; L694-V697 PolarHBondContact O-N 3.31Å; L694-L698 HydrophobicContact CD1-CD1 4.33Å; L694-L698 HydrophobicContact CD1-CG 4.45Å; L694-L698 HydrophobicContact CG-CD1 4.16Å; L694-L698 WeakPolarHBondContact O-CG 3.32Å; L694-L698 PolarHBondContact O-N 3Å
695	A	93.3	Very high	90.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-33.9	177.9	0	0	0	0	0	112.7	F454 F458 L691 C692 G699	F454-A695 HydrophobicContact CB-CB 4.45Å; F454-A695 HydrophobicContact CD2-CB 3.62Å; F454-A695 HydrophobicContact CE2-CB 3.87Å; F454-A695 HydrophobicContact CG-CB 3.97Å; F454-A695 HydrophobicContact CZ-CB 4.41Å; F454-A695 WeakPolarHBondContact O-CB 3.26Å; F458-A695 HydrophobicContact CB-CB 4.31Å; L691-A695 VanDerWaalsContact O-CB 3.32Å; L691-A695 WeakPolarHBondContact O-CB 3.09Å; L691-A695 PolarHBondContact O-N 3.34Å; C692-A695 PolarHBondContact O-N 3.28Å; A695-G699 PolarHBondContact O-N 3.22Å
696	A	90.1	Very high	89.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-44.1	173.4	0	0	0	0	0	111.9	Y211 S457 Y461 C692 K693 L694 G699 N700	Y211-A696 HydrophobicContact CD1-CB 4.43Å; S457-A696 PolarHBondContact OG-N 2.86Å; Y461-A696 HydrophobicContact CD2-CB 3.8Å; Y461-A696 HydrophobicContact CG-CB 3.89Å; C692-A696 PolarHBondContact O-N 3.31Å; K693-A696 PolarHBondContact O-N 2.95Å; L694-A696 VanDerWaalsContact C-N 3.3Å; L694-A696 PolarHBondContact O-N 3.38Å; A696-G699 PolarHBondContact O-N 2.97Å; A696-N700 WeakPolarHBondContact O-CB 3.44Å; A696-N700 PolarHBondContact O-N 3.31Å; A696-N700 PolarHBondContact O-OD1 3.13Å
697	V	89.5	Confident	89	Confident	22 Å²	22	29.4 Å²	29.4	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-45.3	175.1	174.2	0	0	0	0	111.3	K693 L694 G699 N700 L701	K693-V697 WeakPolarHBondContact O-CG2 3.49Å; K693-V697 PolarHBondContact O-N 2.86Å; K693-V697 VanDerWaalsContact O-N 3.13Å; L694-V697 PolarHBondContact O-N 3.31Å; V697-G699 VanDerWaalsContact C-N 3.34Å; V697-G699 PolarHBondContact O-N 3.33Å; V697-N700 PolarHBondContact O-N 3.38Å; V697-L701 HydrophobicContact CG1-CD1 3.96Å; V697-L701 VanDerWaalsContact O-CG 3.31Å; V697-L701 WeakPolarHBondContact O-CG 3.22Å; V697-L701 PolarHBondContact O-N 3.1Å; V697-L701 VanDerWaalsContact O-N 3.1Å
698	L	89.8	Confident	87.8	Confident	66 Å²	66	30.1 Å²	30.1	35%	0.346	19%	0.189	S	C	.	.	H	α-helix	trans	-64.2	-38.9	176.2	-69.1	172.3	0	0	0	112.1	F454 F458 L694 I702	F454-L698 HydrophobicContact CE2-CD1 4.08Å; F454-L698 HydrophobicContact CZ-CD1 4.2Å; F458-L698 HydrophobicContact CD2-CB 4.48Å; F458-L698 HydrophobicContact CE2-CB 4.48Å; L694-L698 HydrophobicContact CD1-CD1 4.33Å; L694-L698 HydrophobicContact CD1-CG 4.45Å; L694-L698 HydrophobicContact CG-CD1 4.16Å; L694-L698 WeakPolarHBondContact O-CG 3.32Å; L694-L698 PolarHBondContact O-N 3Å; L698-I702 WeakPolarHBondContact O-CB 3.48Å; L698-I702 VanDerWaalsContact O-CG1 3.27Å; L698-I702 WeakPolarHBondContact O-CG1 3.4Å; L698-I702 PolarHBondContact O-N 2.68Å
699	G	88.1	Confident	87	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.6	-58	173.2	0	0	0	0	0	111.2	A695 A696 V697 L701 I702 F703	A695-G699 PolarHBondContact O-N 3.22Å; A696-G699 PolarHBondContact O-N 2.97Å; V697-G699 VanDerWaalsContact C-N 3.34Å; V697-G699 PolarHBondContact O-N 3.33Å; G699-L701 VanDerWaalsContact C-N 3.29Å; G699-L701 PolarHBondContact O-N 3.47Å; G699-I702 PolarHBondContact O-N 3.42Å; G699-F703 WeakPolarHBondContact O-CB 3.44Å; G699-F703 VanDerWaalsContact O-CD2 3.23Å; G699-F703 WeakPolarHBondContact O-CD2 3.25Å; G699-F703 PolarHBondContact O-N 3.1Å
700	N	83.9	Confident	86.3	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-56.8	-41.8	-177.7	-63.5	-5.8	0	0	0	112.3	Y461 V465 A696 V697 G704	Y461-N700 PolarHBondContact O-OD1 2.97Å; V465-N700 WeakPolarHBondContact CG2-OD1 3.49Å; A696-N700 WeakPolarHBondContact O-CB 3.44Å; A696-N700 PolarHBondContact O-N 3.31Å; A696-N700 PolarHBondContact O-OD1 3.13Å; V697-N700 PolarHBondContact O-N 3.38Å; N700-G704 WeakPolarHBondContact O-CA 3.48Å; N700-G704 PolarHBondContact O-N 2.92Å
701	L	84.6	Confident	85.5	Confident	100 Å²	100	43.4 Å²	43.4	52%	0.524	25%	0.254	S	S	.	.	H	α-helix	trans	-67.6	-47.8	177.4	-69.5	171.2	0	0	0	112.8	V697 G699 S705	V697-L701 HydrophobicContact CG1-CD1 3.96Å; V697-L701 VanDerWaalsContact O-CG 3.31Å; V697-L701 WeakPolarHBondContact O-CG 3.22Å; V697-L701 PolarHBondContact O-N 3.1Å; V697-L701 VanDerWaalsContact O-N 3.1Å; G699-L701 VanDerWaalsContact C-N 3.29Å; G699-L701 PolarHBondContact O-N 3.47Å; L701-S705 PolarHBondContact O-N 2.94Å
702	I	88.1	Confident	85	Confident	72 Å²	72	42.8 Å²	42.8	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-71.5	-49.5	-176.8	-66.6	173.1	0	0	0	110.6	F458 L698 G699 S705 L706 M717	F458-I702 HydrophobicContact CE2-CD1 4.11Å; F458-I702 HydrophobicContact CZ-CD1 4.31Å; L698-I702 WeakPolarHBondContact O-CB 3.48Å; L698-I702 VanDerWaalsContact O-CG1 3.27Å; L698-I702 WeakPolarHBondContact O-CG1 3.4Å; L698-I702 PolarHBondContact O-N 2.68Å; G699-I702 PolarHBondContact O-N 3.42Å; I702-S705 PolarHBondContact O-N 3.4Å; I702-S705 PolarHBondContact O-OG 3.2Å; I702-L706 HydrophobicContact CG2-CD1 4.27Å; I702-L706 WeakPolarHBondContact O-CG 3.31Å; I702-M717 HydrophobicContact CG2-CE 3.92Å; I702-M717 HydrophobicContact CG2-SD 4.5Å
703	F	86	Confident	84.7	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-41.4	179.3	-76.4	-110	0	0	0	111.6	F458 G462 L463 W466 G699 S705 L706 V707 P714 M717 A718	F458-F703 HydrophobicContact CD1-CE2 4.16Å; F458-F703 AromaticContact CE1-CE2 3.71Å; F458-F703 HydrophobicContact CE1-CE2 3.71Å; F458-F703 HydrophobicContact CE1-CZ 4.34Å; F458-F703 HydrophobicContact CE2-CE2 4.23Å; F458-F703 HydrophobicContact CZ-CD2 4.36Å; F458-F703 AromaticContact CZ-CE2 3.75Å; F458-F703 HydrophobicContact CZ-CE2 3.75Å; G462-F703 WeakPolarHBondContact O-CB 3.19Å; G462-F703 WeakPolarHBondContact O-CD1 3.48Å; G462-F703 WeakPolarHBondContact O-CG 3.41Å; L463-F703 HydrophobicContact CD2-CD1 4.11Å; L463-F703 HydrophobicContact CD2-CE1 3.67Å; L463-F703 HydrophobicContact CG-CD1 4.5Å; L463-F703 HydrophobicContact CG-CE1 3.85Å; W466-F703 HydrophobicContact CB-CB 4.09Å; W466-F703 HydrophobicContact CB-CD1 4.16Å; W466-F703 VanDerWaalsContact CD1-O 3.23Å; W466-F703 HydrophobicContact CG-CB 4.34Å; W466-F703 HydrophobicContact CG-CD1 4.25Å; G699-F703 WeakPolarHBondContact O-CB 3.44Å; G699-F703 VanDerWaalsContact O-CD2 3.23Å; G699-F703 WeakPolarHBondContact O-CD2 3.25Å; G699-F703 PolarHBondContact O-N 3.1Å; F703-S705 VanDerWaalsContact C-N 3.27Å; F703-S705 PolarHBondContact O-N 3.39Å; F703-L706 PolarHBondContact O-N 2.99Å; F703-V707 PolarHBondContact O-N 3.31Å; F703-P714 HydrophobicContact CD1-CB 3.76Å; F703-P714 HydrophobicContact CE1-CB 3.92Å; F703-M717 HydrophobicContact CD2-CE 3.81Å; F703-M717 HydrophobicContact CE1-CE 4.23Å; F703-M717 HydrophobicContact CE2-CE 3.41Å; F703-M717 VanDerWaalsContact CE2-CE 3.41Å; F703-M717 HydrophobicContact CG-CE 4.44Å; F703-M717 HydrophobicContact CZ-CE 3.63Å; F703-A718 HydrophobicContact CE1-CB 4.1Å; F703-A718 HydrophobicContact CZ-CB 3.96Å
704	G	79.8	Confident	84.5	Confident	33 Å²	33	45.8 Å²	45.8	34%	0.34	27%	0.273	S	S	.	.	H	α-helix	trans	-56.7	-38.9	175	0	0	0	0	0	112.8	N700 L706 V707	N700-G704 WeakPolarHBondContact O-CA 3.48Å; N700-G704 PolarHBondContact O-N 2.92Å; G704-L706 PolarHBondContact O-N 3.32Å; G704-V707 WeakPolarHBondContact O-CG2 3.41Å
705	S	83.4	Confident	84.3	Confident	80 Å²	80	43 Å²	43	56%	0.559	26%	0.259	S	S	*	.	H	α-helix	trans	-66.6	-17	175.5	78.7	0	0	0	0	114.8	L701 I702 F703	L701-S705 PolarHBondContact O-N 2.94Å; I702-S705 PolarHBondContact O-N 3.4Å; I702-S705 PolarHBondContact O-OG 3.2Å; F703-S705 VanDerWaalsContact C-N 3.27Å; F703-S705 PolarHBondContact O-N 3.39Å
706	L	83.9	Confident	84.2	Confident	27 Å²	27	46 Å²	46	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-99.4	-8.7	-174.5	-66.5	169.1	0	0	0	113.9	I702 F703 G704 G708 I709 V713 P714 M717	I702-L706 HydrophobicContact CG2-CD1 4.27Å; I702-L706 WeakPolarHBondContact O-CG 3.31Å; F703-L706 PolarHBondContact O-N 2.99Å; G704-L706 PolarHBondContact O-N 3.32Å; L706-G708 VanDerWaalsContact C-N 3.33Å; L706-G708 PolarHBondContact O-N 3.06Å; L706-I709 HydrophobicContact CD2-CD1 4.44Å; L706-I709 PolarHBondContact O-N 3.11Å; L706-I709 VanDerWaalsContact O-N 3.08Å; L706-V713 HydrophobicContact CD1-CG1 4.15Å; L706-V713 HydrophobicContact CD2-CG1 4.46Å; L706-P714 HydrophobicContact CB-CG 3.7Å; L706-P714 HydrophobicContact CD1-CG 3.94Å; L706-P714 HydrophobicContact CG-CG 4.46Å; L706-M717 HydrophobicContact CD1-CE 4.36Å
707	V	78.3	Confident	84.3	Confident	26 Å²	26	48.2 Å²	48.2	16%	0.158	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-49	-176.5	172.4	0	0	0	0	112.5	D469 V470 H473 F703 G704	D469-V707 HydrophobicContact CB-CG1 4.45Å; D469-V707 HydrophobicContact CB-CG2 4.02Å; V470-V707 HydrophobicContact CG2-CB 4.36Å; V470-V707 HydrophobicContact CG2-CG1 3.93Å; V470-V707 HydrophobicContact CG2-CG2 4.31Å; H473-V707 HydrophobicContact CB-CG1 3.92Å; F703-V707 PolarHBondContact O-N 3.31Å; G704-V707 WeakPolarHBondContact O-CG2 3.41Å
708	G	69.8	Low	84.4	Confident	56 Å²	56	47.2 Å²	47.2	58%	0.577	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	5.1	-177.6	0	0	0	0	0	116	L706	L706-G708 VanDerWaalsContact C-N 3.33Å; L706-G708 PolarHBondContact O-N 3.06Å
709	I	77.2	Confident	84.5	Confident	121 Å²	121	44.7 Å²	44.7	62%	0.621	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-68.3	-172.7	-61	176.9	0	0	0	111.7	L706	L706-I709 HydrophobicContact CD2-CD1 4.44Å; L706-I709 PolarHBondContact O-N 3.11Å; L706-I709 VanDerWaalsContact O-N 3.08Å
710	T	78.1	Confident	84.8	Confident	63 Å²	63	48.3 Å²	48.3	39%	0.387	29%	0.293	S	S	.	.			trans	-152	145.5	175.3	60.7	0	0	0	0	111.6	A712 V713 P714	T710-A712 VanDerWaalsContact C-N 3.32Å; T710-V713 WeakPolarHBondContact OG1-CG2 3.21Å; T710-P714 WeakPolarHBondContact O-CD 3.41Å
711	K	77.9	Confident	85.3	Confident	109 Å²	109	48.9 Å²	48.9	47%	0.474	30%	0.297	S	S	.	.	S	Bend	trans	-71.8	-25.1	173.7	-61.1	-177.3	-177.5	-179	0	113.4	W466 L474 I715	W466-K711 HydrophobicContact CH2-CB 4.17Å; W466-K711 HydrophobicContact CH2-CG 4.48Å; W466-K711 HydrophobicContact CZ2-CB 4.5Å; L474-K711 VanDerWaalsContact CD1-NZ 3.3Å; K711-I715 WeakPolarHBondContact O-CD1 3.36Å; K711-I715 VanDerWaalsContact O-CG1 3.32Å; K711-I715 WeakPolarHBondContact O-CG1 3.48Å
712	A	83.9	Confident	85.8	Confident	25 Å²	25	44.1 Å²	44.1	21%	0.207	27%	0.272	C	S	.	.	H	α-helix	trans	-74.3	-43.1	-173.3	0	0	0	0	0	113.4	W642 T710 I715 L716	W642-A712 HydrophobicContact CZ2-CB 4.48Å; T710-A712 VanDerWaalsContact C-N 3.32Å; A712-I715 PolarHBondContact O-N 3.36Å; A712-L716 HydrophobicContact CB-CD1 4.46Å; A712-L716 WeakPolarHBondContact O-CB 3.38Å; A712-L716 VanDerWaalsContact O-CG 3.27Å; A712-L716 WeakPolarHBondContact O-CG 3.36Å; A712-L716 PolarHBondContact O-N 2.68Å
713	V	87.2	Confident	86.2	Confident	72 Å²	72	42.7 Å²	42.7	44%	0.436	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-48.6	-174.2	173.7	0	0	0	0	112.5	L706 T710 I715 M717	L706-V713 HydrophobicContact CD1-CG1 4.15Å; L706-V713 HydrophobicContact CD2-CG1 4.46Å; T710-V713 WeakPolarHBondContact OG1-CG2 3.21Å; V713-I715 PolarHBondContact O-N 2.86Å; V713-M717 WeakPolarHBondContact O-CB 3.45Å; V713-M717 PolarHBondContact O-N 2.98Å
714	P	88.3	Confident	86.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-45.2	175.7	-28.9	39.6	0	0	0	113.6	W466 F703 L706 T710 M717 A718	W466-P714 HydrophobicContact CD2-CB 3.95Å; W466-P714 HydrophobicContact CD2-CG 4.36Å; W466-P714 HydrophobicContact CE3-CB 4.34Å; W466-P714 HydrophobicContact CG-CB 4.5Å; W466-P714 HydrophobicContact CH2-CB 4.12Å; W466-P714 HydrophobicContact CH2-CG 4.37Å; W466-P714 HydrophobicContact CZ2-CB 3.71Å; W466-P714 HydrophobicContact CZ2-CG 3.56Å; W466-P714 HydrophobicContact CZ3-CB 4.42Å; F703-P714 HydrophobicContact CD1-CB 3.76Å; F703-P714 HydrophobicContact CE1-CB 3.92Å; L706-P714 HydrophobicContact CB-CG 3.7Å; L706-P714 HydrophobicContact CD1-CG 3.94Å; L706-P714 HydrophobicContact CG-CG 4.46Å; T710-P714 WeakPolarHBondContact O-CD 3.41Å; P714-M717 PolarHBondContact O-N 2.81Å; P714-A718 WeakPolarHBondContact O-CB 3.46Å; P714-A718 PolarHBondContact O-N 2.99Å
715	I	89.2	Confident	87.3	Confident	7 Å²	7	42.7 Å²	42.7	4%	0.036	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-44	-177	-64.4	175.2	0	0	0	111.4	W466 C638 L641 W642 K711 A712 V713 S719	W466-I715 HydrophobicContact CH2-CD1 4.04Å; W466-I715 HydrophobicContact CH2-CG1 3.92Å; W466-I715 HydrophobicContact CZ3-CD1 4.08Å; W466-I715 HydrophobicContact CZ3-CG1 3.8Å; C638-I715 WeakPolarHBondContact O-CG2 3.26Å; C638-I715 PolarHBondContact SG-O 3.18Å; L641-I715 HydrophobicContact CB-CD1 4.31Å; W642-I715 HydrophobicContact CB-CG2 4.15Å; K711-I715 WeakPolarHBondContact O-CD1 3.36Å; K711-I715 VanDerWaalsContact O-CG1 3.32Å; K711-I715 WeakPolarHBondContact O-CG1 3.48Å; A712-I715 PolarHBondContact O-N 3.36Å; V713-I715 PolarHBondContact O-N 2.86Å; I715-S719 WeakPolarHBondContact O-CB 3.33Å; I715-S719 PolarHBondContact O-N 2.61Å
716	L	90.9	Very high	87.8	Confident	64 Å²	64	38.9 Å²	38.9	34%	0.335	24%	0.24	S	C	.	.	H	α-helix	trans	-68.8	-37.3	177.6	-66.2	175.1	0	0	0	111.9	F639 W642 A712 S720	F639-L716 HydrophobicContact CD2-CD2 3.75Å; F639-L716 HydrophobicContact CE2-CD2 3.65Å; W642-L716 HydrophobicContact CE3-CD2 3.9Å; W642-L716 HydrophobicContact CZ3-CD1 4.45Å; W642-L716 HydrophobicContact CZ3-CD2 4.05Å; A712-L716 HydrophobicContact CB-CD1 4.46Å; A712-L716 WeakPolarHBondContact O-CB 3.38Å; A712-L716 VanDerWaalsContact O-CG 3.27Å; A712-L716 WeakPolarHBondContact O-CG 3.36Å; A712-L716 PolarHBondContact O-N 2.68Å; L716-S720 WeakPolarHBondContact O-CB 3.39Å; L716-S720 PolarHBondContact O-N 2.91Å; L716-S720 PolarHBondContact O-OG 3.36Å
717	M	91.9	Very high	88.3	Confident	47 Å²	47	42.2 Å²	42.2	23%	0.232	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-49.6	175.9	-172.9	174.9	65.1	0	0	111.3	F458 I702 F703 L706 V713 P714 S719 S720 V721	F458-M717 HydrophobicContact CE1-CE 3.87Å; F458-M717 HydrophobicContact CE1-CG 4.11Å; F458-M717 HydrophobicContact CE1-SD 4.03Å; F458-M717 HydrophobicContact CZ-CE 3.79Å; F458-M717 HydrophobicContact CZ-SD 4.08Å; I702-M717 HydrophobicContact CG2-CE 3.92Å; I702-M717 HydrophobicContact CG2-SD 4.5Å; F703-M717 HydrophobicContact CD2-CE 3.81Å; F703-M717 HydrophobicContact CE1-CE 4.23Å; F703-M717 HydrophobicContact CE2-CE 3.41Å; F703-M717 VanDerWaalsContact CE2-CE 3.41Å; F703-M717 HydrophobicContact CG-CE 4.44Å; F703-M717 HydrophobicContact CZ-CE 3.63Å; L706-M717 HydrophobicContact CD1-CE 4.36Å; V713-M717 WeakPolarHBondContact O-CB 3.45Å; V713-M717 PolarHBondContact O-N 2.98Å; P714-M717 PolarHBondContact O-N 2.81Å; M717-S719 PolarHBondContact O-N 2.82Å; M717-S720 PolarHBondContact O-OG 3.13Å; M717-S720 VanDerWaalsContact O-OG 3.11Å; M717-V721 WeakPolarHBondContact O-CB 3.44Å; M717-V721 WeakPolarHBondContact O-CG2 3.24Å; M717-V721 PolarHBondContact O-N 2.8Å
718	A	91.6	Very high	89	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-46.2	175.8	0	0	0	0	0	112.4	L463 F703 P714 V721 L722	L463-A718 HydrophobicContact CD1-CB 3.4Å; L463-A718 HydrophobicContact CD2-CB 4.21Å; L463-A718 HydrophobicContact CG-CB 3.69Å; F703-A718 HydrophobicContact CE1-CB 4.1Å; F703-A718 HydrophobicContact CZ-CB 3.96Å; P714-A718 WeakPolarHBondContact O-CB 3.46Å; P714-A718 PolarHBondContact O-N 2.99Å; A718-V721 PolarHBondContact O-N 3.32Å; A718-L722 WeakPolarHBondContact O-CB 3.44Å; A718-L722 VanDerWaalsContact O-CG 3.28Å; A718-L722 WeakPolarHBondContact O-CG 3.37Å; A718-L722 PolarHBondContact O-N 3.37Å
719	S	93.1	Very high	90	Very high	13 Å²	13	40.2 Å²	40.2	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-49.9	179.2	177.9	0	0	0	0	112.2	G635 I715 M717 L722 V723	G635-S719 WeakPolarHBondContact O-CB 3.46Å; G635-S719 PolarHBondContact O-OG 3.37Å; I715-S719 WeakPolarHBondContact O-CB 3.33Å; I715-S719 PolarHBondContact O-N 2.61Å; M717-S719 PolarHBondContact O-N 2.82Å; S719-L722 PolarHBondContact O-N 3.22Å; S719-V723 WeakPolarHBondContact O-CG2 3.41Å; S719-V723 PolarHBondContact O-N 3.44Å
720	S	93.9	Very high	90.6	Very high	77 Å²	77	38.4 Å²	38.4	54%	0.538	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-37.9	-179.4	54.7	0	0	0	0	112.9	L716 M717 G724	L716-S720 WeakPolarHBondContact O-CB 3.39Å; L716-S720 PolarHBondContact O-N 2.91Å; L716-S720 PolarHBondContact O-OG 3.36Å; M717-S720 PolarHBondContact O-OG 3.13Å; M717-S720 VanDerWaalsContact O-OG 3.11Å; S720-G724 PolarHBondContact O-N 2.96Å
721	V	94.9	Very high	91.1	Very high	34 Å²	34	44.4 Å²	44.4	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-44.5	174.5	168.3	0	0	0	0	111.6	T455 F458 M717 A718 G724 G725	T455-V721 HydrophobicContact CG2-CG1 3.82Å; T455-V721 WeakPolarHBondContact O-CG1 3.38Å; F458-V721 HydrophobicContact CD1-CG1 4.16Å; F458-V721 HydrophobicContact CD1-CG2 4.24Å; F458-V721 HydrophobicContact CE1-CG2 4.4Å; M717-V721 WeakPolarHBondContact O-CB 3.44Å; M717-V721 WeakPolarHBondContact O-CG2 3.24Å; M717-V721 PolarHBondContact O-N 2.8Å; A718-V721 PolarHBondContact O-N 3.32Å; V721-G724 PolarHBondContact O-N 3.36Å; V721-G725 PolarHBondContact O-N 3.04Å
722	L	94.6	Very high	91.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.8	-41.7	179.6	-72.5	167.3	0	0	0	112.7	L456 M631 Y657 A718 S719 G725 G726	L456-L722 HydrophobicContact CD1-CD2 3.84Å; M631-L722 HydrophobicContact CE-CD2 4.38Å; Y657-L722 HydrophobicContact CE2-CD1 3.68Å; A718-L722 WeakPolarHBondContact O-CB 3.44Å; A718-L722 VanDerWaalsContact O-CG 3.28Å; A718-L722 WeakPolarHBondContact O-CG 3.37Å; A718-L722 PolarHBondContact O-N 3.37Å; S719-L722 PolarHBondContact O-N 3.22Å; L722-G725 PolarHBondContact O-N 2.99Å; L722-G726 PolarHBondContact O-N 2.68Å
723	V	95.5	Very high	91.2	Very high	41 Å²	41	41 Å²	41	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-42.2	174.1	173.1	0	0	0	0	110.9	S719 G726 L727	S719-V723 WeakPolarHBondContact O-CG2 3.41Å; S719-V723 PolarHBondContact O-N 3.44Å; V723-G726 PolarHBondContact O-N 3.1Å; V723-L727 HydrophobicContact CG1-CD1 4.12Å; V723-L727 VanDerWaalsContact O-CG 3.31Å; V723-L727 WeakPolarHBondContact O-CG 3.38Å; V723-L727 PolarHBondContact O-N 3.21Å
724	G	94.8	Very high	90.6	Very high	34 Å²	34	41.4 Å²	41.4	35%	0.351	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-46.8	174.8	0	0	0	0	0	112.7	S720 V721 L727 V728	S720-G724 PolarHBondContact O-N 2.96Å; V721-G724 PolarHBondContact O-N 3.36Å; G724-L727 PolarHBondContact O-N 3.48Å; G724-V728 PolarHBondContact O-N 3.09Å
725	G	94.3	Very high	89.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-46.9	174.8	0	0	0	0	0	112.8	T455 V721 L722 L727 V728 G729	T455-G725 VanDerWaalsContact OG1-CA 3.25Å; T455-G725 WeakPolarHBondContact OG1-CA 3.24Å; V721-G725 PolarHBondContact O-N 3.04Å; L722-G725 PolarHBondContact O-N 2.99Å; G725-L727 VanDerWaalsContact C-N 3.35Å; G725-L727 PolarHBondContact O-N 2.99Å; G725-V728 PolarHBondContact O-N 3.19Å; G725-V728 VanDerWaalsContact O-N 3.08Å; G725-G729 PolarHBondContact O-N 3.35Å
726	G	94.3	Very high	88.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-38.9	178.3	0	0	0	0	0	113.3	L722 V723 V728 G729 L730	L722-G726 PolarHBondContact O-N 2.68Å; V723-G726 PolarHBondContact O-N 3.1Å; G726-V728 VanDerWaalsContact C-N 3.29Å; G726-V728 PolarHBondContact O-N 3.49Å; G726-G729 PolarHBondContact O-N 3.49Å; G726-L730 WeakPolarHBondContact O-CG 3.5Å; G726-L730 PolarHBondContact O-N 2.95Å
727	L	94.7	Very high	86.4	Confident	97 Å²	97	48 Å²	48	51%	0.508	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-28.2	173.9	-72	170.4	0	0	0	113.4	I632 V723 G724 G725	I632-L727 HydrophobicContact CD1-CD2 3.99Å; I632-L727 HydrophobicContact CD1-CG 4.16Å; V723-L727 HydrophobicContact CG1-CD1 4.12Å; V723-L727 VanDerWaalsContact O-CG 3.31Å; V723-L727 WeakPolarHBondContact O-CG 3.38Å; V723-L727 PolarHBondContact O-N 3.21Å; G724-L727 PolarHBondContact O-N 3.48Å; G725-L727 VanDerWaalsContact C-N 3.35Å; G725-L727 PolarHBondContact O-N 2.99Å
728	V	93.8	Very high	84.8	Confident	40 Å²	40	49.2 Å²	49.2	24%	0.242	27%	0.266	C	S	.	.	H	α-helix	trans	-77	-39.4	170.7	175	0	0	0	0	111	R448 I451 V452 G724 G725 G726 L730 R731	R448-V728 HydrophobicContact CB-CG1 4.12Å; R448-V728 HydrophobicContact CG-CG1 4.13Å; I451-V728 HydrophobicContact CB-CG1 4.34Å; I451-V728 HydrophobicContact CG2-CB 4.38Å; I451-V728 HydrophobicContact CG2-CG1 4.19Å; I451-V728 HydrophobicContact CG2-CG2 4.21Å; V452-V728 HydrophobicContact CG2-CB 4.35Å; V452-V728 HydrophobicContact CG2-CG1 4.13Å; G724-V728 PolarHBondContact O-N 3.09Å; G725-V728 PolarHBondContact O-N 3.19Å; G725-V728 VanDerWaalsContact O-N 3.08Å; G726-V728 VanDerWaalsContact C-N 3.29Å; G726-V728 PolarHBondContact O-N 3.49Å; V728-L730 VanDerWaalsContact C-N 3.33Å; V728-L730 PolarHBondContact O-N 3.42Å; V728-R731 PolarHBondContact O-N 2.89Å
729	G	89.7	Confident	83.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-38.6	175.6	0	0	0	0	0	113.4	G725 G726 R731 L732	G725-G729 PolarHBondContact O-N 3.35Å; G726-G729 PolarHBondContact O-N 3.49Å; G729-R731 PolarHBondContact O-N 3.44Å; G729-R731 VanDerWaalsContact O-N 3.13Å; G729-L732 PolarHBondContact O-N 3.3Å
730	L	89.6	Confident	81.3	Confident	84 Å²	84	51 Å²	51	44%	0.44	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-5.7	172.8	-67.2	179.5	0	0	0	114.5	I632 G726 V728	I632-L730 HydrophobicContact CD1-CD1 3.91Å; G726-L730 WeakPolarHBondContact O-CG 3.5Å; G726-L730 PolarHBondContact O-N 2.95Å; V728-L730 VanDerWaalsContact C-N 3.33Å; V728-L730 PolarHBondContact O-N 3.42Å
731	R	88.3	Confident	79	Confident	189 Å²	189	51.5 Å²	51.5	71%	0.713	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	7.8	177.8	-69.6	-177.5	171.8	173	-1.4	114	R448 V728 G729	R448-R731 WeakPolarHBondContact CD-O 3.24Å; R448-R731 PolarHBondContact NE-O 3.13Å; R448-R731 VanDerWaalsContact NE-O 3.14Å; R448-R731 PolarHBondContact NH1-O 3.4Å; V728-R731 PolarHBondContact O-N 2.89Å; G729-R731 PolarHBondContact O-N 3.44Å; G729-R731 VanDerWaalsContact O-N 3.13Å
732	L	85.4	Confident	78.2	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	27%	0.274	C	S	.	.	S	Bend	trans	-69.3	155.6	166.2	-72.4	163.6	0	0	0	110.3	R448 L449 L624 L627 V671 G729	R448-L732 HydrophobicContact CB-CD2 3.48Å; R448-L732 VanDerWaalsContact CB-CD2 3.48Å; R448-L732 HydrophobicContact CB-CG 4.19Å; R448-L732 HydrophobicContact CG-CD2 4.4Å; L449-L732 HydrophobicContact CD2-CD1 3.9Å; L449-L732 HydrophobicContact CD2-CD2 4.27Å; L449-L732 HydrophobicContact CG-CD2 4.07Å; L624-L732 HydrophobicContact CD1-CB 4.08Å; L624-L732 WeakPolarHBondContact CD1-O 3.36Å; L624-L732 HydrophobicContact CD2-CB 3.66Å; L624-L732 HydrophobicContact CD2-CD1 4.13Å; L627-L732 HydrophobicContact CD2-CD1 4.21Å; V671-L732 HydrophobicContact CG1-CD1 4.12Å; G729-L732 PolarHBondContact O-N 3.3Å
733	P	79.8	Confident	77.3	Confident	52 Å²	52	55.1 Å²	55.1	34%	0.338	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-75.3	142.9	172.1	31.7	-34.2	0	0	0	111	N445 T735	N445-P733 VanDerWaalsContact OD1-CD 3.22Å; N445-P733 WeakPolarHBondContact OD1-CD 3.24Å; N445-P733 WeakPolarHBondContact OD1-CG 3.33Å; P733-T735 PolarHBondContact O-N 2.71Å
734	D	74.6	Confident	76.3	Confident	79 Å²	79	55.9 Å²	55.9	42%	0.422	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-67.2	124.5	-179.1	-170	1.7	0	0	0	111.1	L624 R736 N738	L624-D734 HydrophobicContact CD1-CB 4.36Å; D734-R736 VanDerWaalsContact OD1-CB 3.23Å; D734-R736 WeakPolarHBondContact OD1-CB 3.4Å; D734-R736 PolarHBondContact OD1-N 3.26Å; D734-N738 PolarHBondContact O-ND2 3.22Å
735	T	68.1	Low	75.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	29%	0.287	C	S	.	.			trans	-86	-13.4	-180	63.9	0	0	0	0	112.8	E674 P733 S737 N738	E674-T735 HydrophobicContact CB-CG2 3.87Å; E674-T735 WeakPolarHBondContact OE2-CB 3.5Å; E674-T735 PolarHBondContact OE2-OG1 3.3Å; P733-T735 PolarHBondContact O-N 2.71Å; T735-S737 PolarHBondContact O-N 3.08Å; T735-S737 VanDerWaalsContact O-N 3.08Å; T735-N738 PolarHBondContact O-N 3.22Å; T735-N738 VanDerWaalsContact O-N 3.09Å
736	R	59.7	Low	74.1	Confident	132 Å²	132	60.8 Å²	60.8	50%	0.498	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.7	-172.6	-171.6	179.9	-170.1	142	15.8	114.3	D619 D734	D619-R736 PolarHBondContact O-NH1 2.92Å; D619-R736 PolarHBondContact O-NH2 3.26Å; D734-R736 VanDerWaalsContact OD1-CB 3.23Å; D734-R736 WeakPolarHBondContact OD1-CB 3.4Å; D734-R736 PolarHBondContact OD1-N 3.26Å
737	S	51.7	Low	72.7	Confident	75 Å²	75	64.8 Å²	64.8	52%	0.524	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	3.4	-177.1	53.6	0	0	0	0	114.9	R285 T735	R285-S737 PolarHBondContact NH1-O 3.37Å; R285-S737 PolarHBondContact NH2-O 2.98Å; T735-S737 PolarHBondContact O-N 3.08Å; T735-S737 VanDerWaalsContact O-N 3.08Å
738	N	58.1	Low	71.2	Confident	72 Å²	72	62.5 Å²	62.5	39%	0.385	31%	0.312	S	S	.	.			trans	-97.7	137.4	-169.6	-59.5	-10.7	0	0	0	111.3	D734 T735	D734-N738 PolarHBondContact O-ND2 3.22Å; T735-N738 PolarHBondContact O-N 3.22Å; T735-N738 VanDerWaalsContact O-N 3.09Å
739	V	56	Low	69.4	Low	44 Å²	44	64.2 Å²	64.2	27%	0.267	32%	0.318	S	S	.	.			trans	-65.2	141.8	161.5	166.3	0	0	0	0	107.6	A148 E152 M741	A148-V739 HydrophobicContact CB-CG1 3.98Å; E152-V739 HydrophobicContact CG-CG1 4.2Å; V739-M741 PolarHBondContact O-N 3Å; V739-M741 VanDerWaalsContact O-N 3.12Å
740	L	56.7	Low	67.7	Low	8 Å²	8	69.6 Å²	69.6	4%	0.042	34%	0.344	C	S	.	.			trans	-70.8	105.7	163	-66.6	178.6	0	0	0	108	A148 A280 R358 E674	A148-L740 WeakPolarHBondContact CB-O 3.46Å; A280-L740 HydrophobicContact CB-CD1 4.4Å; R358-L740 VanDerWaalsContact CZ-O 3.29Å; R358-L740 PolarHBondContact NH1-O 3.14Å; R358-L740 PolarHBondContact NH2-O 3.08Å; E674-L740 HydrophobicContact CB-CD2 4.25Å; E674-L740 HydrophobicContact CG-CD2 4.22Å
741	M	44.8	Very low	65.7	Low	86 Å²	86	68.3 Å²	68.3	42%	0.424	34%	0.335	S	S	.	.			trans	-55.6	0	154.3	-65.5	163.1	171	0	0	109.7	E145 R358 P677 T678 R681 V739	E145-M741 HydrophobicContact CG-CE 4.22Å; E145-M741 HydrophobicContact CG-CG 4.49Å; E145-M741 WeakPolarHBondContact OE1-CE 3.45Å; R358-M741 PolarHBondContact NH2-O 2.97Å; R358-M741 PolarHBondContact NH2-OXT 3.24Å; P677-M741 CarbonylContact C-O 3.59Å; P677-M741 VanDerWaalsContact CA-O 3.24Å; P677-M741 WeakPolarHBondContact CA-O 3.43Å; P677-M741 HydrophobicContact CB-CB 3.83Å; T678-M741 WeakPolarHBondContact CB-O 3.38Å; T678-M741 PolarHBondContact N-O 3.04Å; T678-M741 PolarHBondContact N-OXT 3.42Å; T678-M741 PolarHBondContact OG1-O 3.28Å; R681-M741 PolarHBondContact NH2-O 3.41Å; V739-M741 PolarHBondContact O-N 3Å; V739-M741 VanDerWaalsContact O-N 3.12Å

Retrieved 741 of 741 residues in 679.3 ms (Link to these results)

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