A0A077Z5U9_TRITR Loading...

SNF2 N and Helicase C domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5U9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 626 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	T	39.2	Very low	52	Low	103 Å²	103	68.9 Å²	68.9	63%	0.632	37%	0.366	S	S	*	.				0	-73.2	0	52.4	0	0	0	0	113.9	R3 L4 A5	T1-R3 PolarHBondContact O-N 2.99Å; T1-R3 VanDerWaalsContact O-N 3.13Å; T1-L4 PolarHBondContact O-N 3.3Å; T1-A5 PolarHBondContact O-N 3.46Å
2	S	48.3	Very low	52.3	Low	97 Å²	97	64.7 Å²	64.7	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-56.6	-35.6	-177.3	63.1	0	0	0	0	114.2	A6	S2-A6 PolarHBondContact O-N 3.18Å
3	R	51.5	Low	52.5	Low	197 Å²	197	66.2 Å²	66.2	74%	0.743	36%	0.361	S	S	*	.	H	α-helix	trans	-66.7	-35	177.1	-61.4	179.8	-178.6	176.4	-1.6	113.2	T1	T1-R3 PolarHBondContact O-N 2.99Å; T1-R3 VanDerWaalsContact O-N 3.13Å
4	L	51.7	Low	52.4	Low	11 Å²	11	76.1 Å²	76.1	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-82.4	-35.1	178.4	-70.5	154.1	0	0	0	111.5	T1 A6 V7 V8 F27 L35 Y54	T1-L4 PolarHBondContact O-N 3.3Å; L4-A6 PolarHBondContact O-N 2.63Å; L4-V7 WeakPolarHBondContact O-CB 3.34Å; L4-V7 PolarHBondContact O-N 3.34Å; L4-V7 VanDerWaalsContact O-N 3.07Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.48Å; L4-V8 PolarHBondContact O-N 3.42Å; L4-F27 HydrophobicContact CB-CB 3.81Å; L4-F27 HydrophobicContact CB-CD1 4.06Å; L4-F27 HydrophobicContact CB-CG 4.09Å; L4-F27 HydrophobicContact CD1-CB 4.35Å; L4-F27 HydrophobicContact CD1-CD1 4.09Å; L4-F27 HydrophobicContact CD2-CD1 3.58Å; L4-F27 HydrophobicContact CD2-CE1 3.8Å; L4-F27 HydrophobicContact CD2-CG 4.41Å; L4-F27 HydrophobicContact CG-CD1 4.1Å; L4-L35 HydrophobicContact CD1-CD1 3.65Å; L4-L35 HydrophobicContact CD1-CD2 3.45Å; L4-L35 VanDerWaalsContact CD1-CD2 3.45Å; L4-L35 HydrophobicContact CD1-CG 4.21Å; L4-L35 HydrophobicContact CD2-CD2 3.97Å; L4-L35 HydrophobicContact CG-CD2 4.35Å; L4-Y54 HydrophobicContact CD2-CE2 3.68Å
5	A	54.5	Low	52.6	Low	20 Å²	20	74.5 Å²	74.5	17%	0.165	40%	0.396	C	S	.	.	H	α-helix	trans	-59.3	-33.6	174.3	0	0	0	0	0	112.8	T1 K9 L24	T1-A5 PolarHBondContact O-N 3.46Å; A5-K9 WeakPolarHBondContact O-CB 3.3Å; A5-K9 WeakPolarHBondContact O-CG 3.36Å; A5-K9 PolarHBondContact O-N 2.89Å; A5-L24 HydrophobicContact CB-CD2 3.77Å
6	A	54.5	Low	52.6	Low	55 Å²	55	74.8 Å²	74.8	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-67.2	-42	173.7	0	0	0	0	0	112.4	S2 L4 K9 H10	S2-A6 PolarHBondContact O-N 3.18Å; L4-A6 PolarHBondContact O-N 2.63Å; A6-K9 PolarHBondContact O-N 3.03Å; A6-H10 WeakPolarHBondContact O-CB 3.35Å; A6-H10 PolarHBondContact O-N 3.19Å
7	V	53.5	Low	52.9	Low	8 Å²	8	75.4 Å²	75.4	5%	0.048	42%	0.416	C	S	.	.	H	α-helix	trans	-61.2	-46.9	174.7	173.9	0	0	0	0	110.1	L4 K9 H10 C11 Y54 V57	L4-V7 WeakPolarHBondContact O-CB 3.34Å; L4-V7 PolarHBondContact O-N 3.34Å; L4-V7 VanDerWaalsContact O-N 3.07Å; V7-K9 PolarHBondContact O-N 3.38Å; V7-H10 PolarHBondContact O-N 3.23Å; V7-C11 WeakPolarHBondContact O-CB 3.48Å; V7-C11 PolarHBondContact O-N 3.18Å; V7-C11 PolarHBondContact O-SG 3.14Å; V7-Y54 HydrophobicContact CB-CD2 4.25Å; V7-Y54 HydrophobicContact CG1-CD2 3.65Å; V7-Y54 HydrophobicContact CG1-CE2 4.49Å; V7-Y54 HydrophobicContact CG1-CG 4.45Å; V7-Y54 HydrophobicContact CG2-CD2 3.8Å; V7-Y54 HydrophobicContact CG2-CE2 4.03Å; V7-V57 HydrophobicContact CG2-CB 4.23Å; V7-V57 HydrophobicContact CG2-CG1 3.78Å
8	V	54	Low	52.7	Low	2 Å²	2	79.3 Å²	79.3	1%	0.012	43%	0.428	C	S	.	.	H	α-helix	trans	-63.5	-43.8	-179.9	177.8	0	0	0	0	110.9	L4 H10 F12 C23 L24 F27	L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.48Å; L4-V8 PolarHBondContact O-N 3.42Å; V8-H10 VanDerWaalsContact C-N 3.32Å; V8-H10 PolarHBondContact O-N 3.43Å; V8-F12 HydrophobicContact CB-CD2 4.31Å; V8-F12 HydrophobicContact CG1-CD2 3.71Å; V8-F12 HydrophobicContact CG1-CE2 4.3Å; V8-F12 VanDerWaalsContact O-CB 3.31Å; V8-F12 WeakPolarHBondContact O-CB 3.47Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 3.48Å; V8-F12 PolarHBondContact O-N 3.33Å; V8-C23 HydrophobicContact CG1-CB 3.79Å; V8-C23 HydrophobicContact CG2-CB 4.49Å; V8-L24 HydrophobicContact CB-CD2 3.94Å; V8-L24 HydrophobicContact CB-CG 4.47Å; V8-L24 HydrophobicContact CG1-CD2 3.86Å; V8-L24 HydrophobicContact CG1-CG 3.83Å; V8-L24 HydrophobicContact CG2-CD2 4.47Å; V8-F27 HydrophobicContact CG2-CD2 3.17Å; V8-F27 HydrophobicContact CG2-CE2 3.47Å; V8-F27 VanDerWaalsContact CG2-CE2 3.47Å; V8-F27 HydrophobicContact CG2-CG 4.05Å; V8-F27 HydrophobicContact CG2-CZ 4.5Å
9	K	56.2	Low	52.8	Low	143 Å²	143	80.4 Å²	80.4	62%	0.622	43%	0.429	S	S	*	.	H	α-helix	trans	-62.3	-38.5	174.8	-80.9	-178.4	178.6	177.6	0	112.7	A5 A6 V7 S13	A5-K9 WeakPolarHBondContact O-CB 3.3Å; A5-K9 WeakPolarHBondContact O-CG 3.36Å; A5-K9 PolarHBondContact O-N 2.89Å; A6-K9 PolarHBondContact O-N 3.03Å; V7-K9 PolarHBondContact O-N 3.38Å; K9-S13 WeakPolarHBondContact O-CB 3.38Å; K9-S13 PolarHBondContact O-N 2.77Å
10	H	56.1	Low	53	Low	102 Å²	102	78.8 Å²	78.8	47%	0.472	42%	0.419	S	S	.	.	H	α-helix	trans	-69.5	-52	178.2	-172.4	76.3	0	0	0	111.5	A6 V7 V8 F12 S13	A6-H10 WeakPolarHBondContact O-CB 3.35Å; A6-H10 PolarHBondContact O-N 3.19Å; V7-H10 PolarHBondContact O-N 3.23Å; V8-H10 VanDerWaalsContact C-N 3.32Å; V8-H10 PolarHBondContact O-N 3.43Å; H10-F12 PolarHBondContact O-N 2.84Å; H10-S13 PolarHBondContact O-OG 3.21Å
11	C	52.1	Low	53.3	Low	20 Å²	20	78.9 Å²	78.9	14%	0.135	42%	0.419	C	S	.	.	H	α-helix	trans	-67.2	-36.8	-176.5	-62	0	0	0	0	112.8	V7 S53	V7-C11 WeakPolarHBondContact O-CB 3.48Å; V7-C11 PolarHBondContact O-N 3.18Å; V7-C11 PolarHBondContact O-SG 3.14Å; C11-S53 WeakPolarHBondContact SG-CB 3.31Å
12	F	56.6	Low	54.2	Low	18 Å²	18	82.3 Å²	82.3	8%	0.079	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	14.6	-173.3	-60.1	-69.9	0	0	0	113.7	V8 H10 K14 S15 F19 Q20 C23 V50	V8-F12 HydrophobicContact CB-CD2 4.31Å; V8-F12 HydrophobicContact CG1-CD2 3.71Å; V8-F12 HydrophobicContact CG1-CE2 4.3Å; V8-F12 VanDerWaalsContact O-CB 3.31Å; V8-F12 WeakPolarHBondContact O-CB 3.47Å; V8-F12 VanDerWaalsContact O-CD2 3.28Å; V8-F12 WeakPolarHBondContact O-CD2 3.48Å; V8-F12 PolarHBondContact O-N 3.33Å; H10-F12 PolarHBondContact O-N 2.84Å; F12-K14 PolarHBondContact O-N 3.34Å; F12-S15 WeakPolarHBondContact CD1-OG 3.34Å; F12-S15 WeakPolarHBondContact O-CB 3.38Å; F12-S15 PolarHBondContact O-N 3.43Å; F12-F19 AromaticContact CD1-CD1 3.8Å; F12-F19 HydrophobicContact CD1-CD1 3.8Å; F12-F19 AromaticContact CD1-CE1 3.68Å; F12-F19 HydrophobicContact CD1-CE1 3.68Å; F12-F19 AromaticContact CE1-CD1 3.89Å; F12-F19 HydrophobicContact CE1-CD1 3.89Å; F12-F19 AromaticContact CE1-CE1 3.26Å; F12-F19 HydrophobicContact CE1-CE1 3.26Å; F12-F19 HydrophobicContact CE1-CZ 4.26Å; F12-F19 HydrophobicContact CE2-CE1 4.43Å; F12-F19 HydrophobicContact CG-CD1 4.38Å; F12-F19 HydrophobicContact CG-CE1 4.45Å; F12-F19 HydrophobicContact CZ-CD1 4.49Å; F12-F19 AromaticContact CZ-CE1 3.68Å; F12-F19 HydrophobicContact CZ-CE1 3.68Å; F12-Q20 HydrophobicContact CB-CG 3.72Å; F12-Q20 PolarHBondContact O-NE2 3.28Å; F12-C23 HydrophobicContact CE2-CB 4.32Å; F12-V50 HydrophobicContact CE1-CG2 4.11Å; F12-V50 HydrophobicContact CZ-CG1 4.15Å; F12-V50 HydrophobicContact CZ-CG2 3.7Å
13	S	54.6	Low	54.6	Low	84 Å²	84	78.7 Å²	78.7	59%	0.587	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-18.1	179.1	60.4	0	0	0	0	114.9	K9 H10	K9-S13 WeakPolarHBondContact O-CB 3.38Å; K9-S13 PolarHBondContact O-N 2.77Å; H10-S13 PolarHBondContact O-OG 3.21Å
14	K	50.2	Low	55.1	Low	206 Å²	206	70.7 Å²	70.7	90%	0.896	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	6.8	176.8	-62	-172.6	179.1	179.9	0	115.1	F12	F12-K14 PolarHBondContact O-N 3.34Å
15	S	55.4	Low	55.5	Low	51 Å²	51	74.8 Å²	74.8	36%	0.357	39%	0.389	S	S	.	.	S	Bend	trans	-100	158.4	-176.1	-52.5	0	0	0	0	112.2	F12	F12-S15 WeakPolarHBondContact CD1-OG 3.34Å; F12-S15 WeakPolarHBondContact O-CB 3.38Å; F12-S15 PolarHBondContact O-N 3.43Å
16	S	53.6	Low	55.9	Low	80 Å²	80	76.3 Å²	76.3	56%	0.559	39%	0.392	S	S	*	.			trans	-58.5	143	178.7	80	0	0	0	0	112.2	F18 F19 Q20	S16-F18 PolarHBondContact O-N 3.34Å; S16-F18 VanDerWaalsContact O-N 3.12Å; S16-F19 PolarHBondContact O-N 3.16Å; S16-Q20 PolarHBondContact O-N 2.82Å
17	C	56.5	Low	56.2	Low	84 Å²	84	74.5 Å²	74.5	57%	0.568	37%	0.374	S	S	*	.	H	α-helix	trans	-51.7	-35.4	-179	-175.6	0	0	0	0	113.1	F19 Q20 N21	C17-F19 PolarHBondContact O-N 2.99Å; C17-Q20 PolarHBondContact O-N 2.86Å; C17-N21 PolarHBondContact O-N 3.22Å
18	F	50.3	Low	56.4	Low	147 Å²	147	79.3 Å²	79.3	65%	0.645	40%	0.396	S	S	*	.	H	α-helix	trans	-63.6	-41.9	177.9	-173.7	-96.8	0	0	0	112.8	S16 R22	S16-F18 PolarHBondContact O-N 3.34Å; S16-F18 VanDerWaalsContact O-N 3.12Å; F18-R22 PolarHBondContact O-N 2.91Å
19	F	54.7	Low	56.6	Low	100 Å²	100	84.5 Å²	84.5	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-70.5	-40.5	179	-168.3	-88	0	0	0	111.4	F12 S16 C17 N21 R22 C23	F12-F19 AromaticContact CD1-CD1 3.8Å; F12-F19 HydrophobicContact CD1-CD1 3.8Å; F12-F19 AromaticContact CD1-CE1 3.68Å; F12-F19 HydrophobicContact CD1-CE1 3.68Å; F12-F19 AromaticContact CE1-CD1 3.89Å; F12-F19 HydrophobicContact CE1-CD1 3.89Å; F12-F19 AromaticContact CE1-CE1 3.26Å; F12-F19 HydrophobicContact CE1-CE1 3.26Å; F12-F19 HydrophobicContact CE1-CZ 4.26Å; F12-F19 HydrophobicContact CE2-CE1 4.43Å; F12-F19 HydrophobicContact CG-CD1 4.38Å; F12-F19 HydrophobicContact CG-CE1 4.45Å; F12-F19 HydrophobicContact CZ-CD1 4.49Å; F12-F19 AromaticContact CZ-CE1 3.68Å; F12-F19 HydrophobicContact CZ-CE1 3.68Å; S16-F19 PolarHBondContact O-N 3.16Å; C17-F19 PolarHBondContact O-N 2.99Å; F19-N21 PolarHBondContact O-N 2.84Å; F19-R22 PolarHBondContact O-N 3.11Å; F19-C23 WeakPolarHBondContact CE1-SG 3.32Å; F19-C23 PolarHBondContact O-N 3.31Å; F19-C23 PolarHBondContact O-SG 2.94Å
20	Q	57.6	Low	56.7	Low	48 Å²	48	78.5 Å²	78.5	22%	0.224	40%	0.404	C	S	.	.	H	α-helix	trans	-56.9	-48.4	174.2	-78.3	-179.5	-22.1	0	0	112	F12 S16 C17 R22 C23 L24	F12-Q20 HydrophobicContact CB-CG 3.72Å; F12-Q20 PolarHBondContact O-NE2 3.28Å; S16-Q20 PolarHBondContact O-N 2.82Å; C17-Q20 PolarHBondContact O-N 2.86Å; Q20-R22 PolarHBondContact O-N 3.1Å; Q20-C23 PolarHBondContact O-N 2.97Å; Q20-L24 VanDerWaalsContact O-CG 3.31Å; Q20-L24 WeakPolarHBondContact O-CG 3.37Å; Q20-L24 PolarHBondContact O-N 3.06Å
21	N	58.6	Low	56.8	Low	80 Å²	80	77.8 Å²	77.8	43%	0.428	40%	0.404	S	S	.	.	H	α-helix	trans	-64.2	-42	-178.9	-70.7	-15	0	0	0	112	C17 F19 C23 L24 D25	C17-N21 PolarHBondContact O-N 3.22Å; F19-N21 PolarHBondContact O-N 2.84Å; N21-C23 VanDerWaalsContact C-N 3.34Å; N21-C23 PolarHBondContact O-N 2.87Å; N21-L24 WeakPolarHBondContact O-CB 3.46Å; N21-L24 PolarHBondContact O-N 2.85Å; N21-D25 PolarHBondContact O-N 2.78Å
22	R	57.5	Low	57	Low	175 Å²	175	85.2 Å²	85.2	66%	0.66	44%	0.437	S	S	*	.	H	α-helix	trans	-66.1	-36.2	178.9	-133.7	-177.6	-176.7	172.8	1.5	112.9	F18 F19 Q20 F26	F18-R22 PolarHBondContact O-N 2.91Å; F19-R22 PolarHBondContact O-N 3.11Å; Q20-R22 PolarHBondContact O-N 3.1Å; R22-F26 PolarHBondContact O-N 3.45Å
23	C	57.8	Low	57	Low	21 Å²	21	90.7 Å²	90.7	14%	0.142	47%	0.467	C	S	.	.	H	α-helix	trans	-67.3	-44.2	171.9	-72.8	0	0	0	0	111.1	V8 F12 F19 Q20 N21 D25 F26 F27	V8-C23 HydrophobicContact CG1-CB 3.79Å; V8-C23 HydrophobicContact CG2-CB 4.49Å; F12-C23 HydrophobicContact CE2-CB 4.32Å; F19-C23 WeakPolarHBondContact CE1-SG 3.32Å; F19-C23 PolarHBondContact O-N 3.31Å; F19-C23 PolarHBondContact O-SG 2.94Å; Q20-C23 PolarHBondContact O-N 2.97Å; N21-C23 VanDerWaalsContact C-N 3.34Å; N21-C23 PolarHBondContact O-N 2.87Å; C23-D25 PolarHBondContact O-N 3.21Å; C23-F26 PolarHBondContact O-N 3.39Å; C23-F27 HydrophobicContact CB-CD2 4.46Å; C23-F27 WeakPolarHBondContact O-CD2 3.15Å; C23-F27 PolarHBondContact O-N 2.87Å
24	L	60.3	Low	56.9	Low	30 Å²	30	89.6 Å²	89.6	16%	0.157	45%	0.453	C	S	.	.	H	α-helix	trans	-57.7	-48.5	176.3	-73.8	168.4	0	0	0	111.5	A5 V8 Q20 N21 F26 F27 E28	A5-L24 HydrophobicContact CB-CD2 3.77Å; V8-L24 HydrophobicContact CB-CD2 3.94Å; V8-L24 HydrophobicContact CB-CG 4.47Å; V8-L24 HydrophobicContact CG1-CD2 3.86Å; V8-L24 HydrophobicContact CG1-CG 3.83Å; V8-L24 HydrophobicContact CG2-CD2 4.47Å; Q20-L24 VanDerWaalsContact O-CG 3.31Å; Q20-L24 WeakPolarHBondContact O-CG 3.37Å; Q20-L24 PolarHBondContact O-N 3.06Å; N21-L24 WeakPolarHBondContact O-CB 3.46Å; N21-L24 PolarHBondContact O-N 2.85Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.36Å; L24-F27 PolarHBondContact O-N 2.87Å; L24-E28 WeakPolarHBondContact O-CB 3.3Å; L24-E28 WeakPolarHBondContact O-CG 3.33Å; L24-E28 PolarHBondContact O-N 3.47Å
25	D	61.1	Low	57.1	Low	97 Å²	97	81.8 Å²	81.8	52%	0.519	42%	0.42	S	S	.	.	H	α-helix	trans	-57.5	-42.9	177.2	-71.5	-14.1	0	0	0	111.9	N21 C23 E28 T29	N21-D25 PolarHBondContact O-N 2.78Å; C23-D25 PolarHBondContact O-N 3.21Å; D25-E28 PolarHBondContact O-N 3.47Å; D25-T29 WeakPolarHBondContact O-CG2 3.36Å; D25-T29 PolarHBondContact O-N 2.87Å; D25-T29 VanDerWaalsContact O-N 3.16Å; D25-T29 PolarHBondContact O-OG1 3.28Å
26	F	62.3	Low	57.2	Low	51 Å²	51	81.3 Å²	81.3	22%	0.224	42%	0.42	C	S	.	.	H	α-helix	trans	-61.8	-49.9	176.7	177.6	-98.6	0	0	0	111.7	R22 C23 L24 E28 T29 A30 F40	R22-F26 PolarHBondContact O-N 3.45Å; C23-F26 PolarHBondContact O-N 3.39Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.36Å; F26-E28 PolarHBondContact O-N 3.28Å; F26-T29 PolarHBondContact O-N 2.87Å; F26-T29 PolarHBondContact O-OG1 3.38Å; F26-A30 HydrophobicContact CE1-CB 4.25Å; F26-A30 HydrophobicContact CE2-CB 4.46Å; F26-A30 HydrophobicContact CZ-CB 4.07Å; F26-A30 WeakPolarHBondContact O-CB 3.33Å; F26-A30 PolarHBondContact O-N 3.41Å; F26-F40 HydrophobicContact CD1-CZ 4.24Å; F26-F40 HydrophobicContact CE1-CE1 4.48Å; F26-F40 AromaticContact CE1-CE2 3.91Å; F26-F40 HydrophobicContact CE1-CE2 3.91Å; F26-F40 AromaticContact CE1-CZ 3.51Å; F26-F40 HydrophobicContact CE1-CZ 3.51Å; F26-F40 HydrophobicContact CZ-CZ 4.45Å
27	F	61	Low	57.3	Low	17 Å²	17	80.4 Å²	80.4	8%	0.075	41%	0.408	C	S	.	.	H	α-helix	trans	-72	-14.7	-179.5	-75.6	-66.4	0	0	0	114.1	L4 V8 C23 L24 L35 F40	L4-F27 HydrophobicContact CB-CB 3.81Å; L4-F27 HydrophobicContact CB-CD1 4.06Å; L4-F27 HydrophobicContact CB-CG 4.09Å; L4-F27 HydrophobicContact CD1-CB 4.35Å; L4-F27 HydrophobicContact CD1-CD1 4.09Å; L4-F27 HydrophobicContact CD2-CD1 3.58Å; L4-F27 HydrophobicContact CD2-CE1 3.8Å; L4-F27 HydrophobicContact CD2-CG 4.41Å; L4-F27 HydrophobicContact CG-CD1 4.1Å; V8-F27 HydrophobicContact CG2-CD2 3.17Å; V8-F27 HydrophobicContact CG2-CE2 3.47Å; V8-F27 VanDerWaalsContact CG2-CE2 3.47Å; V8-F27 HydrophobicContact CG2-CG 4.05Å; V8-F27 HydrophobicContact CG2-CZ 4.5Å; C23-F27 HydrophobicContact CB-CD2 4.46Å; C23-F27 WeakPolarHBondContact O-CD2 3.15Å; C23-F27 PolarHBondContact O-N 2.87Å; L24-F27 PolarHBondContact O-N 2.87Å; F27-L35 HydrophobicContact CD1-CD2 3.76Å; F27-L35 HydrophobicContact CE1-CD2 4.16Å; F27-F40 HydrophobicContact CD1-CZ 4.3Å; F27-F40 HydrophobicContact CE1-CE1 4.08Å; F27-F40 HydrophobicContact CE1-CE2 4.06Å; F27-F40 AromaticContact CE1-CZ 3.32Å; F27-F40 HydrophobicContact CE1-CZ 3.32Å; F27-F40 AromaticContact CZ-CE1 3.82Å; F27-F40 HydrophobicContact CZ-CE1 3.82Å; F27-F40 AromaticContact CZ-CZ 3.52Å; F27-F40 HydrophobicContact CZ-CZ 3.52Å
28	E	58.3	Low	57.2	Low	109 Å²	109	83.8 Å²	83.8	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-85.2	-24.4	172.5	-77.2	-177.9	-179.8	0	0	113.3	L24 D25 F26	L24-E28 WeakPolarHBondContact O-CB 3.3Å; L24-E28 WeakPolarHBondContact O-CG 3.33Å; L24-E28 PolarHBondContact O-N 3.47Å; D25-E28 PolarHBondContact O-N 3.47Å; F26-E28 PolarHBondContact O-N 3.28Å
29	T	58.3	Low	57.4	Low	112 Å²	112	78.5 Å²	78.5	69%	0.687	40%	0.397	S	S	*	.	H	α-helix	trans	-106.3	-17.9	-175.6	50.9	0	0	0	0	114.4	D25 F26	D25-T29 WeakPolarHBondContact O-CG2 3.36Å; D25-T29 PolarHBondContact O-N 2.87Å; D25-T29 VanDerWaalsContact O-N 3.16Å; D25-T29 PolarHBondContact O-OG1 3.28Å; F26-T29 PolarHBondContact O-N 2.87Å; F26-T29 PolarHBondContact O-OG1 3.38Å
30	A	58.5	Low	57.4	Low	16 Å²	16	74.7 Å²	74.7	13%	0.132	38%	0.38	C	S	.	.			trans	-66.1	137.5	-178.2	0	0	0	0	0	113.3	F26 E34 L35	F26-A30 HydrophobicContact CE1-CB 4.25Å; F26-A30 HydrophobicContact CE2-CB 4.46Å; F26-A30 HydrophobicContact CZ-CB 4.07Å; F26-A30 WeakPolarHBondContact O-CB 3.33Å; F26-A30 PolarHBondContact O-N 3.41Å; A30-E34 WeakPolarHBondContact CA-OE2 3.39Å; A30-E34 HydrophobicContact CB-CB 3.89Å; A30-L35 HydrophobicContact CB-CD1 4.48Å; A30-L35 HydrophobicContact CB-CD2 4.09Å; A30-L35 HydrophobicContact CB-CG 3.95Å
31	D	57.7	Low	57.2	Low	88 Å²	88	77.5 Å²	77.5	47%	0.471	39%	0.393	S	S	.	.			trans	-80.1	174.8	173.2	64.6	33.2	0	0	0	112.5	D33 E34 L35	D31-D33 VanDerWaalsContact C-N 3.25Å; D31-D33 PolarHBondContact O-N 3.32Å; D31-D33 PolarHBondContact OD1-N 3.03Å; D31-D33 VanDerWaalsContact OD1-N 3.16Å; D31-E34 PolarHBondContact O-N 3.35Å; D31-E34 WeakPolarHBondContact OD1-CB 3.25Å; D31-E34 VanDerWaalsContact OD1-CG 3.3Å; D31-E34 WeakPolarHBondContact OD1-CG 3.32Å; D31-E34 PolarHBondContact OD1-N 3.41Å; D31-L35 WeakPolarHBondContact O-CG 3.48Å; D31-L35 PolarHBondContact O-N 2.71Å; D31-L35 VanDerWaalsContact O-N 3.1Å
32	E	57.1	Low	57.1	Low	176 Å²	176	80.4 Å²	80.4	82%	0.822	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-31.6	-177.8	-75.4	-173	161.4	0	0	112.9	A36	E32-A36 PolarHBondContact O-N 2.92Å
33	D	55.6	Low	57.1	Low	133 Å²	133	76.6 Å²	76.6	71%	0.711	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-37.2	177.8	-69.8	-34.1	0	0	0	111.3	D31 L35 A36 S39	D31-D33 VanDerWaalsContact C-N 3.25Å; D31-D33 PolarHBondContact O-N 3.32Å; D31-D33 PolarHBondContact OD1-N 3.03Å; D31-D33 VanDerWaalsContact OD1-N 3.16Å; D33-L35 VanDerWaalsContact C-N 3.27Å; D33-L35 PolarHBondContact O-N 2.97Å; D33-A36 WeakPolarHBondContact O-CB 3.35Å; D33-A36 PolarHBondContact O-N 2.9Å; D33-S39 PolarHBondContact O-OG 3.18Å; D33-S39 VanDerWaalsContact O-OG 3.14Å
34	E	52	Low	56.8	Low	61 Å²	61	86 Å²	86	29%	0.285	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.7	175	-74.5	-161.5	126.7	0	0	113.6	A30 D31 S39 F40 R43	A30-E34 WeakPolarHBondContact CA-OE2 3.39Å; A30-E34 HydrophobicContact CB-CB 3.89Å; D31-E34 PolarHBondContact O-N 3.35Å; D31-E34 WeakPolarHBondContact OD1-CB 3.25Å; D31-E34 VanDerWaalsContact OD1-CG 3.3Å; D31-E34 WeakPolarHBondContact OD1-CG 3.32Å; D31-E34 PolarHBondContact OD1-N 3.41Å; E34-S39 PolarHBondContact O-OG 2.98Å; E34-F40 WeakPolarHBondContact O-CE2 3.35Å; E34-R43 IonicContact OE1-CZ 2.63Å; E34-R43 IonicContact OE1-NH2 3.92Å; E34-R43 PolarHBondContact OE1-NH2 3.21Å
35	L	55.5	Low	56.6	Low	41 Å²	41	88.5 Å²	88.5	22%	0.215	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.9	175.4	-70	168.1	0	0	0	113.6	L4 F27 A30 D31 D33 I37	L4-L35 HydrophobicContact CD1-CD1 3.65Å; L4-L35 HydrophobicContact CD1-CD2 3.45Å; L4-L35 VanDerWaalsContact CD1-CD2 3.45Å; L4-L35 HydrophobicContact CD1-CG 4.21Å; L4-L35 HydrophobicContact CD2-CD2 3.97Å; L4-L35 HydrophobicContact CG-CD2 4.35Å; F27-L35 HydrophobicContact CD1-CD2 3.76Å; F27-L35 HydrophobicContact CE1-CD2 4.16Å; A30-L35 HydrophobicContact CB-CD1 4.48Å; A30-L35 HydrophobicContact CB-CD2 4.09Å; A30-L35 HydrophobicContact CB-CG 3.95Å; D31-L35 WeakPolarHBondContact O-CG 3.48Å; D31-L35 PolarHBondContact O-N 2.71Å; D31-L35 VanDerWaalsContact O-N 3.1Å; D33-L35 VanDerWaalsContact C-N 3.27Å; D33-L35 PolarHBondContact O-N 2.97Å; L35-I37 PolarHBondContact O-N 3.13Å
36	A	57.9	Low	56.4	Low	42 Å²	42	86.7 Å²	86.7	35%	0.347	46%	0.456	S	S	.	.	S	Bend	trans	-61.5	128.6	174	0	0	0	0	0	110.5	E32 D33 E38 S39 F40	E32-A36 PolarHBondContact O-N 2.92Å; D33-A36 WeakPolarHBondContact O-CB 3.35Å; D33-A36 PolarHBondContact O-N 2.9Å; A36-E38 PolarHBondContact O-N 2.87Å; A36-S39 PolarHBondContact O-N 3.45Å; A36-S39 PolarHBondContact O-OG 3.46Å; A36-F40 PolarHBondContact O-N 3.21Å
37	I	54.7	Low	56.3	Low	61 Å²	61	87.2 Å²	87.2	31%	0.313	47%	0.466	S	S	.	.	H	α-helix	trans	-54.5	-32.7	-176.1	-68.5	170.6	0	0	0	111.8	L35 S39 F40 E41 Y54 I58	L35-I37 PolarHBondContact O-N 3.13Å; I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 3.43Å; I37-F40 WeakPolarHBondContact O-CB 3.08Å; I37-F40 PolarHBondContact O-N 3.27Å; I37-E41 PolarHBondContact O-N 2.74Å; I37-Y54 HydrophobicContact CD1-CE1 4.42Å; I37-Y54 HydrophobicContact CG1-CD1 4.34Å; I37-Y54 HydrophobicContact CG1-CE1 4.12Å; I37-I58 HydrophobicContact CD1-CD1 4.49Å
38	E	54.4	Low	56.4	Low	154 Å²	154	91.6 Å²	91.6	72%	0.72	49%	0.494	S	S	*	.	H	α-helix	trans	-66.8	-28.3	178	-63.3	-176.1	170.4	0	0	113.5	A36 N42	A36-E38 PolarHBondContact O-N 2.87Å; E38-N42 PolarHBondContact O-ND2 3.5Å
39	S	54.2	Low	56.4	Low	36 Å²	36	92.7 Å²	92.7	25%	0.252	50%	0.497	S	S	.	.	H	α-helix	trans	-79.8	-26.6	175.5	74.2	0	0	0	0	111.8	D33 E34 A36 I37	D33-S39 PolarHBondContact O-OG 3.18Å; D33-S39 VanDerWaalsContact O-OG 3.14Å; E34-S39 PolarHBondContact O-OG 2.98Å; A36-S39 PolarHBondContact O-N 3.45Å; A36-S39 PolarHBondContact O-OG 3.46Å; I37-S39 VanDerWaalsContact C-N 3.32Å; I37-S39 PolarHBondContact O-N 3.43Å
40	F	54.7	Low	56.5	Low	21 Å²	21	88.2 Å²	88.2	9%	0.092	47%	0.47	C	S	.	.	H	α-helix	trans	-74.2	-40.1	176.6	-102.5	-95.1	0	0	0	113.8	F26 F27 E34 A36 I37 N42 R43 I46	F26-F40 HydrophobicContact CD1-CZ 4.24Å; F26-F40 HydrophobicContact CE1-CE1 4.48Å; F26-F40 AromaticContact CE1-CE2 3.91Å; F26-F40 HydrophobicContact CE1-CE2 3.91Å; F26-F40 AromaticContact CE1-CZ 3.51Å; F26-F40 HydrophobicContact CE1-CZ 3.51Å; F26-F40 HydrophobicContact CZ-CZ 4.45Å; F27-F40 HydrophobicContact CD1-CZ 4.3Å; F27-F40 HydrophobicContact CE1-CE1 4.08Å; F27-F40 HydrophobicContact CE1-CE2 4.06Å; F27-F40 AromaticContact CE1-CZ 3.32Å; F27-F40 HydrophobicContact CE1-CZ 3.32Å; F27-F40 AromaticContact CZ-CE1 3.82Å; F27-F40 HydrophobicContact CZ-CE1 3.82Å; F27-F40 AromaticContact CZ-CZ 3.52Å; F27-F40 HydrophobicContact CZ-CZ 3.52Å; E34-F40 WeakPolarHBondContact O-CE2 3.35Å; A36-F40 PolarHBondContact O-N 3.21Å; I37-F40 WeakPolarHBondContact O-CB 3.08Å; I37-F40 PolarHBondContact O-N 3.27Å; F40-N42 PolarHBondContact O-N 3.16Å; F40-R43 PolarHBondContact O-N 3.35Å; F40-I46 HydrophobicContact CD1-CD1 3.42Å; F40-I46 VanDerWaalsContact CD1-CD1 3.42Å; F40-I46 HydrophobicContact CD1-CG2 4.31Å; F40-I46 HydrophobicContact CE1-CD1 3.51Å; F40-I46 HydrophobicContact CG-CD1 4.42Å
41	E	53.9	Low	56.7	Low	107 Å²	107	88 Å²	88	50%	0.5	47%	0.468	S	S	.	.	H	α-helix	trans	-66.6	-24.5	-179.2	-71.5	-170.1	139.8	0	0	113.1	I37 R55	I37-E41 PolarHBondContact O-N 2.74Å; E41-R55 VanDerWaalsContact CD-NH2 3.33Å; E41-R55 IonicContact OE1-CZ 3.18Å; E41-R55 IonicContact OE1-NH1 3.58Å; E41-R55 PolarHBondContact OE1-NH1 3.49Å; E41-R55 IonicContact OE1-NH2 3.33Å; E41-R55 PolarHBondContact OE1-NH2 2.99Å; E41-R55 IonicContact OE2-NH2 3.98Å
42	N	56.5	Low	57.1	Low	141 Å²	141	87.8 Å²	87.8	75%	0.754	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.8	-178.4	-70.5	-50.5	0	0	0	113.9	E38 F40 K44	E38-N42 PolarHBondContact O-ND2 3.5Å; F40-N42 PolarHBondContact O-N 3.16Å; N42-K44 PolarHBondContact O-N 3.37Å
43	R	56.7	Low	57.5	Low	95 Å²	95	80.4 Å²	80.4	36%	0.358	43%	0.434	S	S	.	.	S	Bend	trans	-83.3	114.2	178.9	-82.6	-177.5	-177.4	-159.1	2.2	111.5	E34 F40 G45 I46	E34-R43 IonicContact OE1-CZ 2.63Å; E34-R43 IonicContact OE1-NH2 3.92Å; E34-R43 PolarHBondContact OE1-NH2 3.21Å; F40-R43 PolarHBondContact O-N 3.35Å; R43-G45 PolarHBondContact O-N 3.29Å; R43-I46 HydrophobicContact CB-CD1 4.18Å
44	K	51.7	Low	57.9	Low	217 Å²	217	76.7 Å²	76.7	94%	0.943	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	121.4	171.5	-76.2	-177.4	176.6	177.4	0	110.6	N42	N42-K44 PolarHBondContact O-N 3.37Å
45	G	57	Low	58.7	Low	83 Å²	83	78.3 Å²	78.3	86%	0.856	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	113	-6.4	172.7	0	0	0	0	0	115.8	R43	R43-G45 PolarHBondContact O-N 3.29Å
46	I	56.1	Low	59.4	Low	59 Å²	59	80.3 Å²	80.3	30%	0.303	42%	0.422	S	S	.	.			trans	-95.9	120.7	172.3	-56.7	-178.9	0	0	0	108	F40 R43 V50	F40-I46 HydrophobicContact CD1-CD1 3.42Å; F40-I46 VanDerWaalsContact CD1-CD1 3.42Å; F40-I46 HydrophobicContact CD1-CG2 4.31Å; F40-I46 HydrophobicContact CE1-CD1 3.51Å; F40-I46 HydrophobicContact CG-CD1 4.42Å; R43-I46 HydrophobicContact CB-CD1 4.18Å; I46-V50 HydrophobicContact CG2-CB 3.99Å; I46-V50 HydrophobicContact CG2-CG1 4.33Å
47	S	59.7	Low	59.8	Low	63 Å²	63	79.2 Å²	79.2	44%	0.441	41%	0.411	S	S	.	.			trans	-70	143.3	176.1	73.3	0	0	0	0	109.8	F49 V50	S47-F49 PolarHBondContact O-N 3.47Å; S47-F49 WeakPolarHBondContact OG-CB 3.47Å; S47-V50 PolarHBondContact O-N 2.74Å
48	T	63	Low	60.5	Low	109 Å²	109	78.6 Å²	78.6	67%	0.669	41%	0.408	S	S	*	.	H	α-helix	trans	-47.5	-33	172.1	52	0	0	0	0	112.8	V50 C51 D52	T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 PolarHBondContact O-N 3.44Å; T48-C51 WeakPolarHBondContact O-CB 3.05Å; T48-C51 PolarHBondContact O-N 2.9Å; T48-C51 VanDerWaalsContact O-N 3.11Å; T48-D52 VanDerWaalsContact O-CG 3.28Å; T48-D52 PolarHBondContact O-N 3.3Å
49	F	58.6	Low	61.3	Low	131 Å²	131	75.9 Å²	75.9	58%	0.575	40%	0.395	S	S	*	.	H	α-helix	trans	-54.1	-36.6	175.2	-177.7	-96	0	0	0	114.6	S47 S53	S47-F49 PolarHBondContact O-N 3.47Å; S47-F49 WeakPolarHBondContact OG-CB 3.47Å; F49-S53 VanDerWaalsContact O-CB 3.25Å; F49-S53 WeakPolarHBondContact O-CB 3.38Å; F49-S53 PolarHBondContact O-N 3.26Å; F49-S53 PolarHBondContact O-OG 2.82Å
50	V	61.2	Low	61.9	Low	18 Å²	18	74.8 Å²	74.8	11%	0.109	39%	0.386	C	S	.	.	H	α-helix	trans	-72.5	-42.1	178.9	178.5	0	0	0	0	110	F12 I46 S47 T48 S53 Y54	F12-V50 HydrophobicContact CE1-CG2 4.11Å; F12-V50 HydrophobicContact CZ-CG1 4.15Å; F12-V50 HydrophobicContact CZ-CG2 3.7Å; I46-V50 HydrophobicContact CG2-CB 3.99Å; I46-V50 HydrophobicContact CG2-CG1 4.33Å; S47-V50 PolarHBondContact O-N 2.74Å; T48-V50 VanDerWaalsContact C-N 3.28Å; T48-V50 PolarHBondContact O-N 3.44Å; V50-S53 PolarHBondContact O-N 2.97Å; V50-Y54 WeakPolarHBondContact O-CB 3.39Å; V50-Y54 PolarHBondContact O-N 2.99Å
51	C	62	Low	62.5	Low	13 Å²	13	76.6 Å²	76.6	9%	0.088	40%	0.395	C	S	.	.	H	α-helix	trans	-63.6	-43.1	174.8	-62.5	0	0	0	0	111.3	T48 Y54 R55	T48-C51 WeakPolarHBondContact O-CB 3.05Å; T48-C51 PolarHBondContact O-N 2.9Å; T48-C51 VanDerWaalsContact O-N 3.11Å; C51-Y54 PolarHBondContact O-N 3.46Å; C51-R55 WeakPolarHBondContact O-CB 3.22Å; C51-R55 WeakPolarHBondContact O-CG 3.28Å; C51-R55 PolarHBondContact O-N 3.3Å
52	D	66.7	Low	63.4	Low	82 Å²	82	75.3 Å²	75.3	44%	0.439	39%	0.392	S	S	.	.	H	α-helix	trans	-67.3	-40.1	178.6	-66.9	-24.8	0	0	0	111.8	T48 R55 H56	T48-D52 VanDerWaalsContact O-CG 3.28Å; T48-D52 PolarHBondContact O-N 3.3Å; D52-R55 PolarHBondContact O-N 2.94Å; D52-R55 IonicContact OD1-NH1 3.74Å; D52-H56 WeakPolarHBondContact O-CB 2.96Å; D52-H56 PolarHBondContact O-N 3.03Å
53	S	65.1	Low	64	Low	21 Å²	21	69.6 Å²	69.6	15%	0.147	36%	0.361	C	S	.	.	H	α-helix	trans	-65.2	-39.8	174	-59.6	0	0	0	0	111.5	C11 F49 V50 H56 V57	C11-S53 WeakPolarHBondContact SG-CB 3.31Å; F49-S53 VanDerWaalsContact O-CB 3.25Å; F49-S53 WeakPolarHBondContact O-CB 3.38Å; F49-S53 PolarHBondContact O-N 3.26Å; F49-S53 PolarHBondContact O-OG 2.82Å; V50-S53 PolarHBondContact O-N 2.97Å; S53-H56 PolarHBondContact O-N 3.26Å; S53-V57 WeakPolarHBondContact O-CG2 3.26Å; S53-V57 PolarHBondContact O-N 3.31Å
54	Y	64.7	Low	64.6	Low	56 Å²	56	65.3 Å²	65.3	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-46.3	175.2	-178.2	-119.6	0	0	0	112.1	L4 V7 I37 V50 C51 H56 V57 I58	L4-Y54 HydrophobicContact CD2-CE2 3.68Å; V7-Y54 HydrophobicContact CB-CD2 4.25Å; V7-Y54 HydrophobicContact CG1-CD2 3.65Å; V7-Y54 HydrophobicContact CG1-CE2 4.49Å; V7-Y54 HydrophobicContact CG1-CG 4.45Å; V7-Y54 HydrophobicContact CG2-CD2 3.8Å; V7-Y54 HydrophobicContact CG2-CE2 4.03Å; I37-Y54 HydrophobicContact CD1-CE1 4.42Å; I37-Y54 HydrophobicContact CG1-CD1 4.34Å; I37-Y54 HydrophobicContact CG1-CE1 4.12Å; V50-Y54 WeakPolarHBondContact O-CB 3.39Å; V50-Y54 PolarHBondContact O-N 2.99Å; C51-Y54 PolarHBondContact O-N 3.46Å; Y54-H56 VanDerWaalsContact C-N 3.28Å; Y54-H56 PolarHBondContact O-N 2.97Å; Y54-V57 PolarHBondContact O-N 2.9Å; Y54-I58 HydrophobicContact CD1-CD1 3.77Å; Y54-I58 HydrophobicContact CD2-CD1 4.31Å; Y54-I58 HydrophobicContact CD2-CG1 4.42Å; Y54-I58 HydrophobicContact CE1-CD1 3.26Å; Y54-I58 HydrophobicContact CE1-CG1 4.32Å; Y54-I58 HydrophobicContact CE2-CD1 3.89Å; Y54-I58 HydrophobicContact CE2-CG1 4.14Å; Y54-I58 HydrophobicContact CG-CD1 4.29Å; Y54-I58 WeakPolarHBondContact O-CG1 3.42Å; Y54-I58 PolarHBondContact O-N 3.26Å
55	R	69.1	Low	65.5	Low	95 Å²	95	58.6 Å²	58.6	36%	0.358	32%	0.32	S	S	.	.	H	α-helix	trans	-56.5	-43.8	172.6	-78	177.2	175.9	137	-0.1	111.4	E41 C51 D52 I58 Q59	E41-R55 VanDerWaalsContact CD-NH2 3.33Å; E41-R55 IonicContact OE1-CZ 3.18Å; E41-R55 IonicContact OE1-NH1 3.58Å; E41-R55 PolarHBondContact OE1-NH1 3.49Å; E41-R55 IonicContact OE1-NH2 3.33Å; E41-R55 PolarHBondContact OE1-NH2 2.99Å; E41-R55 IonicContact OE2-NH2 3.98Å; C51-R55 WeakPolarHBondContact O-CB 3.22Å; C51-R55 WeakPolarHBondContact O-CG 3.28Å; C51-R55 PolarHBondContact O-N 3.3Å; D52-R55 PolarHBondContact O-N 2.94Å; D52-R55 IonicContact OD1-NH1 3.74Å; R55-I58 PolarHBondContact O-N 3.3Å; R55-Q59 WeakPolarHBondContact O-CB 3.11Å; R55-Q59 PolarHBondContact O-N 3.34Å
56	H	68.4	Low	66.4	Low	82 Å²	82	57.9 Å²	57.9	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-47.1	177.5	-172.1	55.3	0	0	0	111.3	D52 S53 Y54 I58 Q59 L60	D52-H56 WeakPolarHBondContact O-CB 2.96Å; D52-H56 PolarHBondContact O-N 3.03Å; S53-H56 PolarHBondContact O-N 3.26Å; Y54-H56 VanDerWaalsContact C-N 3.28Å; Y54-H56 PolarHBondContact O-N 2.97Å; H56-I58 PolarHBondContact O-N 3.47Å; H56-Q59 PolarHBondContact O-N 3.41Å; H56-L60 WeakPolarHBondContact O-CB 3.49Å; H56-L60 WeakPolarHBondContact O-CG 3.44Å; H56-L60 PolarHBondContact O-N 3.35Å
57	V	66.5	Low	67.1	Low	20 Å²	20	55.1 Å²	55.1	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-37.2	177.6	176.4	0	0	0	0	112.8	V7 S53 Y54 L60 Q61	V7-V57 HydrophobicContact CG2-CB 4.23Å; V7-V57 HydrophobicContact CG2-CG1 3.78Å; S53-V57 WeakPolarHBondContact O-CG2 3.26Å; S53-V57 PolarHBondContact O-N 3.31Å; Y54-V57 PolarHBondContact O-N 2.9Å; V57-L60 WeakPolarHBondContact O-CB 3.35Å; V57-Q61 WeakPolarHBondContact O-CG 3.42Å; V57-Q61 PolarHBondContact O-N 3.15Å
58	I	70.9	Confident	67.6	Low	47 Å²	47	53 Å²	53	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-47.1	173.4	-72.3	175.1	0	0	0	110.5	I37 Y54 R55 H56 L60 Q61 N62	I37-I58 HydrophobicContact CD1-CD1 4.49Å; Y54-I58 HydrophobicContact CD1-CD1 3.77Å; Y54-I58 HydrophobicContact CD2-CD1 4.31Å; Y54-I58 HydrophobicContact CD2-CG1 4.42Å; Y54-I58 HydrophobicContact CE1-CD1 3.26Å; Y54-I58 HydrophobicContact CE1-CG1 4.32Å; Y54-I58 HydrophobicContact CE2-CD1 3.89Å; Y54-I58 HydrophobicContact CE2-CG1 4.14Å; Y54-I58 HydrophobicContact CG-CD1 4.29Å; Y54-I58 WeakPolarHBondContact O-CG1 3.42Å; Y54-I58 PolarHBondContact O-N 3.26Å; R55-I58 PolarHBondContact O-N 3.3Å; H56-I58 PolarHBondContact O-N 3.47Å; I58-L60 VanDerWaalsContact C-N 3.3Å; I58-L60 PolarHBondContact O-N 3.48Å; I58-Q61 PolarHBondContact O-N 2.91Å; I58-N62 PolarHBondContact O-N 3.47Å
59	Q	70.8	Confident	68.2	Low	97 Å²	97	51.7 Å²	51.7	45%	0.453	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-45.5	179	-173.3	61.9	38.8	0	0	110.7	R55 H56 Q61 N62 D63	R55-Q59 WeakPolarHBondContact O-CB 3.11Å; R55-Q59 PolarHBondContact O-N 3.34Å; H56-Q59 PolarHBondContact O-N 3.41Å; Q59-Q61 VanDerWaalsContact C-N 3.27Å; Q59-Q61 PolarHBondContact O-N 3.4Å; Q59-N62 PolarHBondContact O-N 2.89Å; Q59-D63 PolarHBondContact NE2-OD1 2.86Å; Q59-D63 WeakPolarHBondContact O-CB 3.37Å; Q59-D63 PolarHBondContact O-N 3.35Å
60	L	67.1	Low	69	Low	13 Å²	13	48.4 Å²	48.4	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-52.5	-44	172.2	-77	172	0	0	0	111.9	H56 V57 I58 M64 N302 L306	H56-L60 WeakPolarHBondContact O-CB 3.49Å; H56-L60 WeakPolarHBondContact O-CG 3.44Å; H56-L60 PolarHBondContact O-N 3.35Å; V57-L60 WeakPolarHBondContact O-CB 3.35Å; I58-L60 VanDerWaalsContact C-N 3.3Å; I58-L60 PolarHBondContact O-N 3.48Å; L60-M64 PolarHBondContact O-N 3.04Å; L60-M64 VanDerWaalsContact O-N 3.15Å; L60-N302 HydrophobicContact CD2-CB 3.22Å; L60-N302 WeakPolarHBondContact CD2-ND2 3.39Å; L60-N302 WeakPolarHBondContact CD2-OD1 3.29Å; L60-L306 HydrophobicContact CB-CD1 3.68Å; L60-L306 HydrophobicContact CD2-CD1 3.37Å; L60-L306 HydrophobicContact CG-CD1 4.15Å; L60-L306 WeakPolarHBondContact O-CD1 3.24Å
61	Q	66	Low	69.5	Low	60 Å²	60	47.8 Å²	47.8	28%	0.28	25%	0.247	S	C	.	.	H	α-helix	trans	-71	-44.3	179.3	-72.9	-179.5	6.1	0	0	112.8	V57 I58 Q59 D63 M64 D65	V57-Q61 WeakPolarHBondContact O-CG 3.42Å; V57-Q61 PolarHBondContact O-N 3.15Å; I58-Q61 PolarHBondContact O-N 2.91Å; Q59-Q61 VanDerWaalsContact C-N 3.27Å; Q59-Q61 PolarHBondContact O-N 3.4Å; Q61-D63 VanDerWaalsContact C-N 3.33Å; Q61-D63 PolarHBondContact O-N 3.46Å; Q61-M64 WeakPolarHBondContact O-CB 3.38Å; Q61-M64 PolarHBondContact O-N 2.88Å; Q61-M64 VanDerWaalsContact O-N 3.1Å; Q61-D65 PolarHBondContact O-N 2.92Å
62	N	72.8	Confident	69.9	Low	79 Å²	79	52 Å²	52	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-42.1	177.8	-71.2	-16.2	0	0	0	111.8	I58 Q59 M64 D65 T66	I58-N62 PolarHBondContact O-N 3.47Å; Q59-N62 PolarHBondContact O-N 2.89Å; N62-M64 VanDerWaalsContact C-N 3.27Å; N62-M64 PolarHBondContact O-N 3.1Å; N62-D65 PolarHBondContact O-N 3.36Å; N62-T66 WeakPolarHBondContact O-CB 3.49Å; N62-T66 PolarHBondContact O-N 2.94Å; N62-T66 PolarHBondContact O-OG1 3.44Å
63	D	70.8	Confident	70.3	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-45.8	172.7	-81	2.1	0	0	0	110.6	Q59 Q61 L67 Y299 N302	Q59-D63 PolarHBondContact NE2-OD1 2.86Å; Q59-D63 WeakPolarHBondContact O-CB 3.37Å; Q59-D63 PolarHBondContact O-N 3.35Å; Q61-D63 VanDerWaalsContact C-N 3.33Å; Q61-D63 PolarHBondContact O-N 3.46Å; D63-L67 WeakPolarHBondContact O-CB 3.36Å; D63-L67 PolarHBondContact O-N 2.98Å; D63-Y299 HydrophobicContact CB-CD1 3.57Å; D63-Y299 HydrophobicContact CB-CE1 3.67Å; D63-Y299 WeakPolarHBondContact O-CE1 3.34Å; D63-Y299 VanDerWaalsContact O-CZ 3.27Å; D63-Y299 PolarHBondContact O-OH 3.27Å; D63-N302 PolarHBondContact OD2-ND2 2.74Å
64	M	68.1	Low	70.8	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-42.2	179.7	-161.9	-157.8	64.7	0	0	113.2	L60 Q61 N62 T66 L67 L68 L306 K310	L60-M64 PolarHBondContact O-N 3.04Å; L60-M64 VanDerWaalsContact O-N 3.15Å; Q61-M64 WeakPolarHBondContact O-CB 3.38Å; Q61-M64 PolarHBondContact O-N 2.88Å; Q61-M64 VanDerWaalsContact O-N 3.1Å; N62-M64 VanDerWaalsContact C-N 3.27Å; N62-M64 PolarHBondContact O-N 3.1Å; M64-T66 VanDerWaalsContact C-N 3.27Å; M64-T66 PolarHBondContact O-N 2.83Å; M64-L67 WeakPolarHBondContact O-CB 3.4Å; M64-L67 PolarHBondContact O-N 3.42Å; M64-L68 HydrophobicContact CE-CD1 3.56Å; M64-L68 HydrophobicContact CG-CD1 4.43Å; M64-L68 WeakPolarHBondContact O-CG 3.35Å; M64-L68 PolarHBondContact O-N 2.93Å; M64-L68 HydrophobicContact SD-CD1 4.42Å; M64-L306 HydrophobicContact CB-CD2 3.4Å; M64-L306 HydrophobicContact CB-CG 3.73Å; M64-L306 HydrophobicContact CG-CD2 3.55Å; M64-L306 HydrophobicContact CG-CG 3.89Å; M64-L306 HydrophobicContact SD-CG 4.46Å; M64-K310 HydrophobicContact CE-CD 3.37Å; M64-K310 HydrophobicContact SD-CB 4.12Å; M64-K310 HydrophobicContact SD-CD 3.17Å; M64-K310 WeakPolarHBondContact SD-CD 3.47Å; M64-K310 HydrophobicContact SD-CG 4.26Å
65	D	70.1	Confident	71	Confident	76 Å²	76	48.7 Å²	48.7	41%	0.406	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-37.4	179.9	-69.2	-15.7	0	0	0	109.9	Q61 N62 L68 C69	Q61-D65 PolarHBondContact O-N 2.92Å; N62-D65 PolarHBondContact O-N 3.36Å; D65-L68 PolarHBondContact O-N 3.22Å; D65-C69 PolarHBondContact O-N 3.07Å; D65-C69 PolarHBondContact O-SG 3.12Å; D65-C69 VanDerWaalsContact O-SG 3.36Å
66	T	75.9	Confident	71.2	Confident	69 Å²	69	46.7 Å²	46.7	42%	0.423	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-47.2	172	-51	0	0	0	0	111.6	N62 M64 L68 C69 D70 Y299	N62-T66 WeakPolarHBondContact O-CB 3.49Å; N62-T66 PolarHBondContact O-N 2.94Å; N62-T66 PolarHBondContact O-OG1 3.44Å; M64-T66 VanDerWaalsContact C-N 3.27Å; M64-T66 PolarHBondContact O-N 2.83Å; T66-L68 VanDerWaalsContact C-N 3.27Å; T66-L68 PolarHBondContact O-N 2.97Å; T66-C69 PolarHBondContact O-N 3.5Å; T66-D70 PolarHBondContact O-N 3.22Å; T66-Y299 WeakPolarHBondContact CB-OH 3.28Å; T66-Y299 VanDerWaalsContact CG2-OH 3.3Å; T66-Y299 WeakPolarHBondContact CG2-OH 3.31Å
67	L	72.6	Confident	71.5	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-41.7	175.5	176.3	63.1	0	0	0	112	D63 M64 D70 C71 L295 F296 Y299 L303	D63-L67 WeakPolarHBondContact O-CB 3.36Å; D63-L67 PolarHBondContact O-N 2.98Å; M64-L67 WeakPolarHBondContact O-CB 3.4Å; M64-L67 PolarHBondContact O-N 3.42Å; L67-D70 PolarHBondContact O-N 3.49Å; L67-C71 WeakPolarHBondContact O-CB 3.45Å; L67-C71 PolarHBondContact O-N 2.92Å; L67-C71 PolarHBondContact O-SG 3.39Å; L67-L295 HydrophobicContact CD1-CD1 4.23Å; L67-L295 HydrophobicContact CD1-CD2 4.22Å; L67-L295 HydrophobicContact CD1-CG 3.75Å; L67-F296 HydrophobicContact CD1-CD1 4.28Å; L67-F296 HydrophobicContact CD1-CE1 4.07Å; L67-F296 HydrophobicContact CD1-CE2 4.5Å; L67-F296 HydrophobicContact CD1-CZ 4.18Å; L67-F296 HydrophobicContact CD2-CD1 4.16Å; L67-F296 HydrophobicContact CD2-CE1 3.72Å; L67-F296 HydrophobicContact CD2-CZ 4.4Å; L67-F296 HydrophobicContact CG-CE1 4.47Å; L67-Y299 HydrophobicContact CB-CD2 3.89Å; L67-Y299 HydrophobicContact CB-CE2 3.49Å; L67-Y299 VanDerWaalsContact CB-CE2 3.49Å; L67-Y299 HydrophobicContact CD1-CD2 3.71Å; L67-Y299 HydrophobicContact CD1-CE2 3.59Å; L67-Y299 HydrophobicContact CD2-CD2 4.06Å; L67-Y299 HydrophobicContact CD2-CE2 4.47Å; L67-Y299 HydrophobicContact CG-CD2 4.08Å; L67-Y299 HydrophobicContact CG-CE2 4Å; L67-Y299 PolarHBondContact N-OH 3.27Å; L67-L303 HydrophobicContact CD2-CD2 4.05Å
68	L	69.9	Low	71.6	Confident	19 Å²	19	46.2 Å²	46.2	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-44.8	178.4	-73.8	170.7	0	0	0	111.4	M64 D65 T66 D70 C71 E72 Q313 I317	M64-L68 HydrophobicContact CE-CD1 3.56Å; M64-L68 HydrophobicContact CG-CD1 4.43Å; M64-L68 WeakPolarHBondContact O-CG 3.35Å; M64-L68 PolarHBondContact O-N 2.93Å; M64-L68 HydrophobicContact SD-CD1 4.42Å; D65-L68 PolarHBondContact O-N 3.22Å; T66-L68 VanDerWaalsContact C-N 3.27Å; T66-L68 PolarHBondContact O-N 2.97Å; L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 3.36Å; L68-C71 PolarHBondContact O-N 3.43Å; L68-C71 VanDerWaalsContact O-N 3.17Å; L68-E72 WeakPolarHBondContact O-CB 3.31Å; L68-E72 VanDerWaalsContact O-CG 3.32Å; L68-E72 WeakPolarHBondContact O-CG 3.31Å; L68-E72 PolarHBondContact O-N 3.47Å; L68-Q313 HydrophobicContact CD1-CB 4.06Å; L68-Q313 HydrophobicContact CD1-CG 3.82Å; L68-Q313 HydrophobicContact CD2-CB 4.09Å; L68-I317 HydrophobicContact CD2-CD1 3.44Å; L68-I317 VanDerWaalsContact CD2-CD1 3.44Å; L68-I317 HydrophobicContact CD2-CG1 3.67Å; L68-I317 HydrophobicContact CG-CD1 4.47Å
69	C	75	Confident	71.4	Confident	81 Å²	81	48 Å²	48	55%	0.547	27%	0.271	S	S	.	.	H	α-helix	trans	-58.5	-42.9	174.8	-71.6	0	0	0	0	111.9	D65 T66 C71 E72 G73	D65-C69 PolarHBondContact O-N 3.07Å; D65-C69 PolarHBondContact O-SG 3.12Å; D65-C69 VanDerWaalsContact O-SG 3.36Å; T66-C69 PolarHBondContact O-N 3.5Å; C69-C71 PolarHBondContact O-N 3.26Å; C69-E72 PolarHBondContact O-N 3.38Å; C69-G73 PolarHBondContact O-N 3Å
70	D	75.3	Confident	71.4	Confident	62 Å²	62	45.4 Å²	45.4	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-41.9	176.4	-68.7	-19.8	0	0	0	111.4	T66 L67 L68 G73 I74 L295	T66-D70 PolarHBondContact O-N 3.22Å; L67-D70 PolarHBondContact O-N 3.49Å; L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 3.36Å; D70-G73 PolarHBondContact O-N 3Å; D70-I74 WeakPolarHBondContact O-CG1 3.35Å; D70-I74 PolarHBondContact O-N 3Å; D70-L295 HydrophobicContact CB-CD1 3.53Å
71	C	71.6	Confident	71.3	Confident	4 Å²	4	48 Å²	48	3%	0.027	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-40.4	177.4	-68.2	0	0	0	0	112.7	L67 L68 C69 G73 I74 A75 I317 F321	L67-C71 WeakPolarHBondContact O-CB 3.45Å; L67-C71 PolarHBondContact O-N 2.92Å; L67-C71 PolarHBondContact O-SG 3.39Å; L68-C71 PolarHBondContact O-N 3.43Å; L68-C71 VanDerWaalsContact O-N 3.17Å; C69-C71 PolarHBondContact O-N 3.26Å; C71-G73 VanDerWaalsContact C-N 3.33Å; C71-I74 PolarHBondContact O-N 3.13Å; C71-A75 WeakPolarHBondContact O-CB 3.5Å; C71-A75 PolarHBondContact O-N 3.06Å; C71-I317 HydrophobicContact CB-CG1 4.2Å; C71-F321 HydrophobicContact CB-CE2 4.44Å
72	E	70.7	Confident	71.2	Confident	101 Å²	101	45.2 Å²	45.2	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-36.7	177.1	-76	178.8	175.4	0	0	110.9	L68 C69 A75 A76	L68-E72 WeakPolarHBondContact O-CB 3.31Å; L68-E72 VanDerWaalsContact O-CG 3.32Å; L68-E72 WeakPolarHBondContact O-CG 3.31Å; L68-E72 PolarHBondContact O-N 3.47Å; C69-E72 PolarHBondContact O-N 3.38Å; E72-A75 PolarHBondContact O-N 2.88Å; E72-A76 WeakPolarHBondContact O-CB 3.35Å; E72-A76 PolarHBondContact O-N 3.04Å
73	G	75.8	Confident	70.8	Confident	34 Å²	34	44 Å²	44	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-48.4	171	0	0	0	0	0	112.2	C69 D70 C71 A75 A76 D77	C69-G73 PolarHBondContact O-N 3Å; D70-G73 PolarHBondContact O-N 3Å; C71-G73 VanDerWaalsContact C-N 3.33Å; G73-A75 VanDerWaalsContact C-N 3.32Å; G73-A75 PolarHBondContact O-N 3.19Å; G73-A76 PolarHBondContact O-N 3.17Å; G73-D77 PolarHBondContact O-N 2.91Å
74	I	74.9	Confident	70.5	Confident	41 Å²	41	49.9 Å²	49.9	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-38.7	176.9	-61.7	164.5	0	0	0	111.4	D70 C71 D77 L78 V141 L295 F321	D70-I74 WeakPolarHBondContact O-CG1 3.35Å; D70-I74 PolarHBondContact O-N 3Å; C71-I74 PolarHBondContact O-N 3.13Å; I74-D77 PolarHBondContact O-N 3.49Å; I74-L78 HydrophobicContact CG2-CD1 4.38Å; I74-L78 WeakPolarHBondContact O-CB 3.4Å; I74-L78 PolarHBondContact O-N 3.2Å; I74-V141 HydrophobicContact CG2-CG2 3.98Å; I74-L295 HydrophobicContact CD1-CD2 4.43Å; I74-F321 HydrophobicContact CB-CZ 4.29Å; I74-F321 HydrophobicContact CD1-CE1 4.47Å; I74-F321 HydrophobicContact CD1-CZ 4.1Å; I74-F321 HydrophobicContact CG2-CE1 3.86Å; I74-F321 HydrophobicContact CG2-CZ 4.04Å
75	A	69.7	Low	69.9	Low	16 Å²	16	51.2 Å²	51.2	13%	0.132	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-41.3	176.5	0	0	0	0	0	111.9	C71 E72 G73 L78 E79 T320	C71-A75 WeakPolarHBondContact O-CB 3.5Å; C71-A75 PolarHBondContact O-N 3.06Å; E72-A75 PolarHBondContact O-N 2.88Å; G73-A75 VanDerWaalsContact C-N 3.32Å; G73-A75 PolarHBondContact O-N 3.19Å; A75-L78 WeakPolarHBondContact O-CB 3.49Å; A75-L78 PolarHBondContact O-N 3.33Å; A75-E79 WeakPolarHBondContact O-CG 3.37Å; A75-E79 PolarHBondContact O-N 3.28Å; A75-T320 HydrophobicContact CB-CG2 3.8Å
76	A	72.7	Confident	69.1	Low	53 Å²	53	51.1 Å²	51.1	44%	0.438	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-38.6	175.4	0	0	0	0	0	111.8	E72 G73 E79 S80	E72-A76 WeakPolarHBondContact O-CB 3.35Å; E72-A76 PolarHBondContact O-N 3.04Å; G73-A76 PolarHBondContact O-N 3.17Å; A76-E79 PolarHBondContact O-N 3.26Å; A76-S80 WeakPolarHBondContact O-CB 3.44Å; A76-S80 PolarHBondContact O-N 3.47Å
77	D	73.7	Confident	67.9	Low	92 Å²	92	54.9 Å²	54.9	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-38.9	174.5	-76	-19.5	0	0	0	112.3	G73 I74 H81	G73-D77 PolarHBondContact O-N 2.91Å; I74-D77 PolarHBondContact O-N 3.49Å; D77-H81 WeakPolarHBondContact O-CB 3.33Å; D77-H81 PolarHBondContact O-N 3.15Å; D77-H81 PolarHBondContact O-ND1 2.96Å
78	L	68.7	Low	66.7	Low	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.8	-52.5	170.7	-88	162.6	0	0	0	110.7	I74 A75 S80 H81 V82 L135 L136 L139 T320 L601	I74-L78 HydrophobicContact CG2-CD1 4.38Å; I74-L78 WeakPolarHBondContact O-CB 3.4Å; I74-L78 PolarHBondContact O-N 3.2Å; A75-L78 WeakPolarHBondContact O-CB 3.49Å; A75-L78 PolarHBondContact O-N 3.33Å; L78-S80 PolarHBondContact O-N 3.34Å; L78-H81 PolarHBondContact O-N 3.33Å; L78-V82 WeakPolarHBondContact O-CG2 3.45Å; L78-V82 PolarHBondContact O-N 3Å; L78-L135 HydrophobicContact CD2-CD2 3.55Å; L78-L135 HydrophobicContact CD2-CG 3.77Å; L78-L136 HydrophobicContact CD1-CD2 4.34Å; L78-L136 HydrophobicContact CD2-CD2 4.06Å; L78-L139 HydrophobicContact CB-CD1 4.24Å; L78-L139 HydrophobicContact CD1-CD1 4.47Å; L78-L139 HydrophobicContact CD2-CD1 3.19Å; L78-L139 HydrophobicContact CG-CD1 3.34Å; L78-T320 HydrophobicContact CD1-CG2 3.4Å; L78-L601 HydrophobicContact CD2-CD2 4.37Å
79	E	67	Low	65.3	Low	84 Å²	84	58.6 Å²	58.6	39%	0.393	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-41.1	-179.4	-72.9	-178	175.9	0	0	112.1	A75 A76 H81 V82 S83	A75-E79 WeakPolarHBondContact O-CG 3.37Å; A75-E79 PolarHBondContact O-N 3.28Å; A76-E79 PolarHBondContact O-N 3.26Å; E79-H81 PolarHBondContact O-N 2.96Å; E79-V82 PolarHBondContact O-N 3.04Å; E79-S83 WeakPolarHBondContact O-CB 3.48Å; E79-S83 PolarHBondContact O-N 3.24Å; E79-S83 PolarHBondContact O-OG 3.08Å; E79-S83 VanDerWaalsContact O-OG 3.1Å
80	S	70.5	Confident	63.4	Low	43 Å²	43	62 Å²	62	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-60.2	-45.7	175.1	-174.5	0	0	0	0	111.5	A76 L78 V82 S83 R84	A76-S80 WeakPolarHBondContact O-CB 3.44Å; A76-S80 PolarHBondContact O-N 3.47Å; L78-S80 PolarHBondContact O-N 3.34Å; S80-V82 VanDerWaalsContact C-N 3.34Å; S80-V82 PolarHBondContact O-N 3.35Å; S80-S83 PolarHBondContact O-N 3.13Å; S80-R84 WeakPolarHBondContact O-CG 3.42Å; S80-R84 PolarHBondContact O-N 3.1Å; S80-R84 PolarHBondContact OG-NE 2.99Å; S80-R84 PolarHBondContact OG-NH2 3.17Å
81	H	66.5	Low	61.5	Low	67 Å²	67	63.5 Å²	63.5	31%	0.31	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-41.2	176.6	-84.7	108.4	0	0	0	112.1	D77 L78 E79 R84 L85 L135 L139	D77-H81 WeakPolarHBondContact O-CB 3.33Å; D77-H81 PolarHBondContact O-N 3.15Å; D77-H81 PolarHBondContact O-ND1 2.96Å; L78-H81 PolarHBondContact O-N 3.33Å; E79-H81 PolarHBondContact O-N 2.96Å; H81-R84 PolarHBondContact O-N 3.42Å; H81-L85 WeakPolarHBondContact O-CD1 3.3Å; H81-L85 VanDerWaalsContact O-CG 3.24Å; H81-L85 WeakPolarHBondContact O-CG 3.48Å; H81-L85 PolarHBondContact O-N 3.28Å; H81-L135 HydrophobicContact CB-CD1 4.12Å; H81-L139 VanDerWaalsContact CE1-CD2 3.48Å; H81-L139 WeakPolarHBondContact CE1-CD2 3.47Å; H81-L139 WeakPolarHBondContact ND1-CD2 3.3Å
82	V	63.1	Low	59.7	Low	1 Å²	1	68.9 Å²	68.9	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-70.6	-35.5	177.8	-168.8	0	0	0	0	112.3	L78 E79 S80 L85 K86 L135 S604 I608	L78-V82 WeakPolarHBondContact O-CG2 3.45Å; L78-V82 PolarHBondContact O-N 3Å; E79-V82 PolarHBondContact O-N 3.04Å; S80-V82 VanDerWaalsContact C-N 3.34Å; S80-V82 PolarHBondContact O-N 3.35Å; V82-L85 PolarHBondContact O-N 2.95Å; V82-K86 WeakPolarHBondContact O-CG 3.48Å; V82-K86 PolarHBondContact O-N 3.35Å; V82-L135 HydrophobicContact CG2-CD1 4.29Å; V82-L135 HydrophobicContact CG2-CD2 3.49Å; V82-L135 VanDerWaalsContact CG2-CD2 3.49Å; V82-S604 WeakPolarHBondContact CG1-O 3.43Å; V82-I608 HydrophobicContact CB-CD1 4.49Å; V82-I608 HydrophobicContact CG1-CD1 3.85Å; V82-I608 HydrophobicContact CG1-CG1 3.85Å; V82-I608 HydrophobicContact CG2-CD1 3.91Å
83	S	64.8	Low	58	Low	55 Å²	55	67.8 Å²	67.8	39%	0.385	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-43.4	173.9	-64.7	0	0	0	0	111.8	E79 S80 L85 K86 E87	E79-S83 WeakPolarHBondContact O-CB 3.48Å; E79-S83 PolarHBondContact O-N 3.24Å; E79-S83 PolarHBondContact O-OG 3.08Å; E79-S83 VanDerWaalsContact O-OG 3.1Å; S80-S83 PolarHBondContact O-N 3.13Å; S83-L85 VanDerWaalsContact C-N 3.33Å; S83-L85 PolarHBondContact O-N 3.42Å; S83-K86 WeakPolarHBondContact O-CB 3.48Å; S83-K86 PolarHBondContact O-N 3.24Å; S83-K86 VanDerWaalsContact O-N 3.14Å; S83-E87 WeakPolarHBondContact O-CG 3.36Å; S83-E87 PolarHBondContact O-N 3.07Å
84	R	64.2	Low	56	Low	144 Å²	144	71.3 Å²	71.3	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-60.7	-40.9	173.6	-69.1	179.1	-141.5	-177.3	4.8	112.4	S80 H81 K86 E87 S88	S80-R84 WeakPolarHBondContact O-CG 3.42Å; S80-R84 PolarHBondContact O-N 3.1Å; S80-R84 PolarHBondContact OG-NE 2.99Å; S80-R84 PolarHBondContact OG-NH2 3.17Å; H81-R84 PolarHBondContact O-N 3.42Å; R84-K86 VanDerWaalsContact C-N 3.31Å; R84-K86 PolarHBondContact O-N 3.21Å; R84-E87 PolarHBondContact O-N 3.13Å; R84-S88 PolarHBondContact O-N 3.49Å; R84-S88 VanDerWaalsContact O-N 3.1Å; R84-S88 PolarHBondContact O-OG 2.78Å
85	L	55.8	Low	54	Low	33 Å²	33	75.5 Å²	75.5	17%	0.173	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-37.7	176.4	-70.2	163.4	0	0	0	111.3	H81 V82 S83 S88 S89 L135 I608	H81-L85 WeakPolarHBondContact O-CD1 3.3Å; H81-L85 VanDerWaalsContact O-CG 3.24Å; H81-L85 WeakPolarHBondContact O-CG 3.48Å; H81-L85 PolarHBondContact O-N 3.28Å; V82-L85 PolarHBondContact O-N 2.95Å; S83-L85 VanDerWaalsContact C-N 3.33Å; S83-L85 PolarHBondContact O-N 3.42Å; L85-S88 PolarHBondContact O-OG 2.93Å; L85-S89 WeakPolarHBondContact O-CB 3.37Å; L85-S89 PolarHBondContact O-OG 2.85Å; L85-L135 HydrophobicContact CD1-CD1 4.33Å; L85-I608 HydrophobicContact CB-CG1 4.49Å; L85-I608 HydrophobicContact CD1-CD1 4.18Å; L85-I608 HydrophobicContact CD1-CG1 4.17Å; L85-I608 HydrophobicContact CD1-CG2 3.7Å; L85-I608 HydrophobicContact CD2-CG2 4.48Å; L85-I608 HydrophobicContact CG-CG2 4.44Å
86	K	53.7	Low	52.4	Low	74 Å²	74	80 Å²	80	32%	0.322	44%	0.436	S	S	.	.	H	α-helix	trans	-63.8	-48.9	173.9	-76.2	176	173.1	174.8	0	112.1	V82 S83 R84 S88 S89 S604	V82-K86 WeakPolarHBondContact O-CG 3.48Å; V82-K86 PolarHBondContact O-N 3.35Å; S83-K86 WeakPolarHBondContact O-CB 3.48Å; S83-K86 PolarHBondContact O-N 3.24Å; S83-K86 VanDerWaalsContact O-N 3.14Å; R84-K86 VanDerWaalsContact C-N 3.31Å; R84-K86 PolarHBondContact O-N 3.21Å; K86-S88 VanDerWaalsContact C-N 3.27Å; K86-S88 PolarHBondContact O-N 2.82Å; K86-S89 PolarHBondContact O-N 3.27Å; K86-S89 PolarHBondContact O-OG 3.5Å; K86-S604 WeakPolarHBondContact CE-OG 3.42Å; K86-S604 PolarHBondContact NZ-OG 3.26Å
87	E	49.9	Very low	50.4	Low	148 Å²	148	80.9 Å²	80.9	69%	0.692	44%	0.443	S	S	*	.	H	α-helix	trans	-62.9	-31.1	-178.8	-71.8	171	-173.6	0	0	112.8	S83 R84 S89	S83-E87 WeakPolarHBondContact O-CG 3.36Å; S83-E87 PolarHBondContact O-N 3.07Å; R84-E87 PolarHBondContact O-N 3.13Å; E87-S89 PolarHBondContact O-N 2.8Å
88	S	46.9	Very low	48.5	Very low	91 Å²	91	79.3 Å²	79.3	64%	0.636	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.4	174.3	65.4	0	0	0	0	114.9	R84 L85 K86	R84-S88 PolarHBondContact O-N 3.49Å; R84-S88 VanDerWaalsContact O-N 3.1Å; R84-S88 PolarHBondContact O-OG 2.78Å; L85-S88 PolarHBondContact O-OG 2.93Å; K86-S88 VanDerWaalsContact C-N 3.27Å; K86-S88 PolarHBondContact O-N 2.82Å
89	S	41.7	Very low	46.9	Very low	7 Å²	7	81.1 Å²	81.1	5%	0.049	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	21.9	-163.3	74.2	0	0	0	0	116	L85 K86 E87 S91 W92	L85-S89 WeakPolarHBondContact O-CB 3.37Å; L85-S89 PolarHBondContact O-OG 2.85Å; K86-S89 PolarHBondContact O-N 3.27Å; K86-S89 PolarHBondContact O-OG 3.5Å; E87-S89 PolarHBondContact O-N 2.8Å; S89-S91 PolarHBondContact O-N 3.32Å; S89-W92 PolarHBondContact O-N 3.45Å
90	D	35.3	Very low	45.4	Very low	153 Å²	153	79.7 Å²	79.7	82%	0.818	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-3.2	-173.3	-93.3	-14.2	0	0	0	116.8
91	S	35	Very low	43.7	Very low	92 Å²	92	83 Å²	83	64%	0.643	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	4.8	176.4	69.8	0	0	0	0	116.5	S89	S89-S91 PolarHBondContact O-N 3.32Å
92	W	34.3	Very low	42.2	Very low	117 Å²	117	85.9 Å²	85.9	44%	0.443	46%	0.462	S	S	.	.	S	Bend	trans	-126.8	2.3	-168.3	-60.3	89.3	0	0	0	116.5	S89 S94	S89-W92 PolarHBondContact O-N 3.45Å; W92-S94 PolarHBondContact O-N 3.23Å
93	V	34.7	Very low	41	Very low	79 Å²	79	90.2 Å²	90.2	48%	0.479	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.9	-166.8	177.3	0	0	0	0	114.9
94	S	32.4	Very low	39.7	Very low	108 Å²	108	90.3 Å²	90.3	76%	0.755	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.4	-163.8	52.7	0	0	0	0	118.3	W92	W92-S94 PolarHBondContact O-N 3.23Å
95	K	34.5	Very low	38.4	Very low	128 Å²	128	86.8 Å²	86.8	56%	0.557	47%	0.472	S	S	*	.			trans	-153.8	108.1	171.8	-66.5	-166.4	-161.8	173.4	0	113.3	A97 L98 L99	K95-A97 PolarHBondContact O-N 2.91Å; K95-L98 HydrophobicContact CB-CB 3.92Å; K95-L98 HydrophobicContact CB-CD1 3.87Å; K95-L98 HydrophobicContact CB-CG 3.92Å; K95-L98 HydrophobicContact CD-CD1 3.57Å; K95-L98 HydrophobicContact CD-CG 3.96Å; K95-L98 HydrophobicContact CG-CD1 4.04Å; K95-L98 HydrophobicContact CG-CG 4.45Å; K95-L98 PolarHBondContact O-N 2.87Å; K95-L99 PolarHBondContact O-N 3.36Å
96	P	34.2	Very low	37.5	Very low	110 Å²	110	89.8 Å²	89.8	71%	0.714	49%	0.485	S	S	*	.	H	α-helix	trans	-58.1	-29.2	171.8	-21.2	31.4	0	0	0	113.1	L99	P96-L99 PolarHBondContact O-N 3.28Å
97	A	32	Very low	36.6	Very low	72 Å²	72	88.3 Å²	88.3	60%	0.595	48%	0.483	S	S	*	.	H	α-helix	trans	-73.8	-22.8	177.6	0	0	0	0	0	114.1	K95 S100	K95-A97 PolarHBondContact O-N 2.91Å; A97-S100 PolarHBondContact O-OG 2.86Å
98	L	33.4	Very low	35.9	Very low	60 Å²	60	90 Å²	90	31%	0.314	48%	0.483	S	S	.	.	H	α-helix	trans	-84.1	-19.8	173.8	-79.8	174.2	0	0	0	112	K95 R102	K95-L98 HydrophobicContact CB-CB 3.92Å; K95-L98 HydrophobicContact CB-CD1 3.87Å; K95-L98 HydrophobicContact CB-CG 3.92Å; K95-L98 HydrophobicContact CD-CD1 3.57Å; K95-L98 HydrophobicContact CD-CG 3.96Å; K95-L98 HydrophobicContact CG-CD1 4.04Å; K95-L98 HydrophobicContact CG-CG 4.45Å; K95-L98 PolarHBondContact O-N 2.87Å; L98-R102 WeakPolarHBondContact O-CB 3.47Å; L98-R102 VanDerWaalsContact O-CG 3.27Å; L98-R102 WeakPolarHBondContact O-CG 3.49Å; L98-R102 PolarHBondContact O-N 3.02Å
99	L	34.3	Very low	35.5	Very low	38 Å²	38	93.9 Å²	93.9	20%	0.199	49%	0.489	C	S	.	.	H	α-helix	trans	-74.7	-39	176.7	-87.8	156.2	0	0	0	111.6	K95 P96 E101 R102 L103 T609	K95-L99 PolarHBondContact O-N 3.36Å; P96-L99 PolarHBondContact O-N 3.28Å; L99-E101 VanDerWaalsContact C-N 3.34Å; L99-R102 PolarHBondContact O-N 3.42Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 VanDerWaalsContact O-CB 3.24Å; L99-L103 WeakPolarHBondContact O-CB 3.32Å; L99-L103 WeakPolarHBondContact O-CD1 3.17Å; L99-L103 PolarHBondContact O-N 3.13Å; L99-T609 HydrophobicContact CD2-CG2 3.98Å
100	S	37	Very low	35.1	Very low	54 Å²	54	97.3 Å²	97.3	38%	0.378	50%	0.504	S	S	.	.	H	α-helix	trans	-61	-46.6	169.3	52.4	0	0	0	0	110.2	A97 R102 I104	A97-S100 PolarHBondContact O-OG 2.86Å; S100-R102 PolarHBondContact O-N 3.47Å; S100-I104 WeakPolarHBondContact O-CB 3.32Å; S100-I104 WeakPolarHBondContact O-CD1 3.45Å; S100-I104 WeakPolarHBondContact O-CG1 3.39Å; S100-I104 PolarHBondContact O-N 3.45Å
101	E	33.1	Very low	35.1	Very low	112 Å²	112	96.6 Å²	96.6	52%	0.523	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-38.9	179	-121.6	179.3	-178	0	0	113	L99 L105	L99-E101 VanDerWaalsContact C-N 3.34Å; E101-L105 WeakPolarHBondContact O-CA 3.3Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 VanDerWaalsContact O-CD1 3.31Å; E101-L105 WeakPolarHBondContact O-CD1 3.35Å; E101-L105 PolarHBondContact O-N 3.4Å
102	R	35.2	Very low	35.2	Very low	128 Å²	128	93.9 Å²	93.9	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-80.3	-34.6	179.2	-74.3	-174.9	179.6	175.7	-2.7	113.6	L98 L99 S100 L105 H106	L98-R102 WeakPolarHBondContact O-CB 3.47Å; L98-R102 VanDerWaalsContact O-CG 3.27Å; L98-R102 WeakPolarHBondContact O-CG 3.49Å; L98-R102 PolarHBondContact O-N 3.02Å; L99-R102 PolarHBondContact O-N 3.42Å; S100-R102 PolarHBondContact O-N 3.47Å; R102-L105 PolarHBondContact O-N 2.97Å; R102-H106 WeakPolarHBondContact O-CA 3.37Å; R102-H106 WeakPolarHBondContact O-CB 3.49Å; R102-H106 PolarHBondContact O-N 3.43Å
103	L	38.5	Very low	35.5	Very low	92 Å²	92	89.8 Å²	89.8	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-64.8	-42.6	166.6	-92.9	132.7	0	0	0	109.8	L99 H106 C107	L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 VanDerWaalsContact O-CB 3.24Å; L99-L103 WeakPolarHBondContact O-CB 3.32Å; L99-L103 WeakPolarHBondContact O-CD1 3.17Å; L99-L103 PolarHBondContact O-N 3.13Å; L103-H106 PolarHBondContact O-N 3.49Å; L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 3.29Å; L103-C107 PolarHBondContact O-SG 3.47Å
104	I	38.4	Very low	35.7	Very low	56 Å²	56	89.9 Å²	89.9	29%	0.287	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-39.5	174	-68.1	164.7	0	0	0	111	S100 R108	S100-I104 WeakPolarHBondContact O-CB 3.32Å; S100-I104 WeakPolarHBondContact O-CD1 3.45Å; S100-I104 WeakPolarHBondContact O-CG1 3.39Å; S100-I104 PolarHBondContact O-N 3.45Å; I104-R108 VanDerWaalsContact O-CB 3.3Å; I104-R108 WeakPolarHBondContact O-CB 3.27Å; I104-R108 WeakPolarHBondContact O-CG 3.35Å; I104-R108 PolarHBondContact O-N 3.14Å
105	L	35.9	Very low	36.2	Very low	71 Å²	71	85.3 Å²	85.3	37%	0.372	46%	0.46	S	S	.	.	H	α-helix	trans	-74.1	-31.1	177	-101.2	129.2	0	0	0	113.5	E101 R102 R108 K109	E101-L105 WeakPolarHBondContact O-CA 3.3Å; E101-L105 WeakPolarHBondContact O-CB 3.49Å; E101-L105 VanDerWaalsContact O-CD1 3.31Å; E101-L105 WeakPolarHBondContact O-CD1 3.35Å; E101-L105 PolarHBondContact O-N 3.4Å; R102-L105 PolarHBondContact O-N 2.97Å; L105-R108 WeakPolarHBondContact O-CB 3.49Å; L105-R108 PolarHBondContact O-N 2.96Å; L105-K109 WeakPolarHBondContact O-CB 3.05Å; L105-K109 PolarHBondContact O-N 3.34Å; L105-K109 VanDerWaalsContact O-N 3.1Å
106	H	36.4	Very low	36.5	Very low	96 Å²	96	81.4 Å²	81.4	44%	0.444	45%	0.445	S	S	.	.	H	α-helix	trans	-76.1	-41.8	175.8	-164.4	72	0	0	0	109.8	R102 L103 R108 K109 Q110 E613	R102-H106 WeakPolarHBondContact O-CA 3.37Å; R102-H106 WeakPolarHBondContact O-CB 3.49Å; R102-H106 PolarHBondContact O-N 3.43Å; L103-H106 PolarHBondContact O-N 3.49Å; H106-R108 PolarHBondContact O-N 2.92Å; H106-K109 PolarHBondContact O-N 3.39Å; H106-K109 VanDerWaalsContact O-N 3.14Å; H106-Q110 PolarHBondContact NE2-OE1 3.21Å; H106-Q110 PolarHBondContact O-N 3.38Å; H106-E613 IonicContact NE2-OE1 3.59Å
107	C	35.3	Very low	36.7	Very low	42 Å²	42	79.5 Å²	79.5	28%	0.284	43%	0.425	S	S	.	.	H	α-helix	trans	-60.3	-26.5	164.6	-67.5	0	0	0	0	113.1	L103 L113	L103-C107 WeakPolarHBondContact O-CB 3.36Å; L103-C107 PolarHBondContact O-N 3.29Å; L103-C107 PolarHBondContact O-SG 3.47Å; C107-L113 HydrophobicContact CB-CD1 4.45Å
108	R	36.3	Very low	37.2	Very low	184 Å²	184	83.5 Å²	83.5	69%	0.694	43%	0.429	S	S	*	.	H	α-helix	trans	-82	-19.6	174.4	-82.3	170.3	175.7	178.1	1.7	114.3	I104 L105 H106	I104-R108 VanDerWaalsContact O-CB 3.3Å; I104-R108 WeakPolarHBondContact O-CB 3.27Å; I104-R108 WeakPolarHBondContact O-CG 3.35Å; I104-R108 PolarHBondContact O-N 3.14Å; L105-R108 WeakPolarHBondContact O-CB 3.49Å; L105-R108 PolarHBondContact O-N 2.96Å; H106-R108 PolarHBondContact O-N 2.92Å
109	K	38.2	Very low	38.1	Very low	172 Å²	172	84.9 Å²	84.9	75%	0.748	44%	0.444	S	S	*	.	H	α-helix	trans	-112.6	-14.2	-170.7	-83.1	-175	173.9	-176.9	0	115.4	L105 H106	L105-K109 WeakPolarHBondContact O-CB 3.05Å; L105-K109 PolarHBondContact O-N 3.34Å; L105-K109 VanDerWaalsContact O-N 3.1Å; H106-K109 PolarHBondContact O-N 3.39Å; H106-K109 VanDerWaalsContact O-N 3.14Å
110	Q	33.4	Very low	39.1	Very low	79 Å²	79	85.4 Å²	85.4	37%	0.369	45%	0.447	S	S	.	.	S	Bend	trans	-110	128.4	176.6	-85	-178.9	-14.3	0	0	112.5	H106 G112 E613	H106-Q110 PolarHBondContact NE2-OE1 3.21Å; H106-Q110 PolarHBondContact O-N 3.38Å; Q110-G112 PolarHBondContact O-N 3.3Å; Q110-E613 PolarHBondContact NE2-OE1 3.48Å
111	S	33.8	Very low	40.6	Very low	138 Å²	138	89.8 Å²	89.8	97%	0.965	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	26.8	-172.6	-26.6	0	0	0	0	116.3
112	G	37.6	Very low	42.1	Very low	35 Å²	35	87 Å²	87	36%	0.361	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-22.3	-170.3	0	0	0	0	0	117.1	Q110 A114	Q110-G112 PolarHBondContact O-N 3.3Å; G112-A114 PolarHBondContact O-N 3.47Å
113	L	41.4	Very low	43.7	Very low	31 Å²	31	84 Å²	84	16%	0.162	44%	0.44	C	S	.	.			trans	-92.8	43.5	-172.2	-89.6	137.9	0	0	0	114.4	C107 F115 F118	C107-L113 HydrophobicContact CB-CD1 4.45Å; L113-F115 HydrophobicContact CD2-CE1 3.67Å; L113-F115 HydrophobicContact CD2-CZ 3.65Å; L113-F115 HydrophobicContact CG-CE1 4.23Å; L113-F115 PolarHBondContact O-N 3.07Å; L113-F115 VanDerWaalsContact O-N 3.09Å; L113-F118 WeakPolarHBondContact O-CZ 3.31Å
114	A	38.6	Very low	45.1	Very low	81 Å²	81	84.5 Å²	84.5	67%	0.669	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	7.5	-175.5	0	0	0	0	0	115.7	G112	G112-A114 PolarHBondContact O-N 3.47Å
115	F	42.8	Very low	46.5	Very low	12 Å²	12	83.7 Å²	83.7	5%	0.053	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-22.4	-168.6	62.3	-95.4	0	0	0	116.1	L113 S186 E617 L620 R621	L113-F115 HydrophobicContact CD2-CE1 3.67Å; L113-F115 HydrophobicContact CD2-CZ 3.65Å; L113-F115 HydrophobicContact CG-CE1 4.23Å; L113-F115 PolarHBondContact O-N 3.07Å; L113-F115 VanDerWaalsContact O-N 3.09Å; F115-S186 WeakPolarHBondContact CB-OG 3.32Å; F115-E617 HydrophobicContact CE1-CG 4.2Å; F115-L620 HydrophobicContact CZ-CB 4.38Å; F115-R621 HydrophobicContact CE1-CG 4.06Å; F115-R621 HydrophobicContact CE2-CG 4.21Å; F115-R621 HydrophobicContact CZ-CG 3.89Å
116	L	40	Very low	48	Very low	46 Å²	46	82.7 Å²	82.7	24%	0.241	44%	0.436	C	S	.	.	S	Bend	trans	-81	135.1	170.1	-71.9	166.2	0	0	0	107.5	F118 I624	L116-F118 PolarHBondContact O-N 3.38Å; L116-I624 HydrophobicContact CD1-CD1 3.98Å; L116-I624 HydrophobicContact CD2-CD1 4.06Å; L116-I624 HydrophobicContact CD2-CG2 3.93Å
117	K	39.4	Very low	49.5	Very low	70 Å²	70	80.9 Å²	80.9	30%	0.304	43%	0.43	S	S	.	.			trans	-60.8	110.5	165.2	-141.9	-179.1	-174.7	-172.9	0	106.1	S119 L120 L156	K117-S119 PolarHBondContact O-N 3.48Å; K117-L120 PolarHBondContact O-N 3.18Å; K117-L120 VanDerWaalsContact O-N 3.17Å; K117-L156 VanDerWaalsContact NZ-C 3.33Å; K117-L156 PolarHBondContact NZ-O 3.44Å
118	F	42.9	Very low	51.2	Low	156 Å²	156	80 Å²	80	68%	0.684	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	8.4	-173.5	-79.8	-89.4	0	0	0	115.7	L113 L116	L113-F118 WeakPolarHBondContact O-CZ 3.31Å; L116-F118 PolarHBondContact O-N 3.38Å
119	S	50.7	Low	52.8	Low	90 Å²	90	71.3 Å²	71.3	63%	0.629	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-4.9	179.8	64.4	0	0	0	0	114.6	K117	K117-S119 PolarHBondContact O-N 3.48Å
120	L	57	Low	54.3	Low	49 Å²	49	63.9 Å²	63.9	26%	0.257	36%	0.358	S	S	.	.			trans	-108.6	119.6	-175.7	-64.8	171.8	0	0	0	111.1	K117 R182 W183	K117-L120 PolarHBondContact O-N 3.18Å; K117-L120 VanDerWaalsContact O-N 3.17Å; L120-R182 HydrophobicContact CD1-CG 4.23Å; L120-W183 HydrophobicContact CB-CE3 4.04Å; L120-W183 HydrophobicContact CB-CH2 4.05Å; L120-W183 HydrophobicContact CB-CZ3 3.66Å; L120-W183 HydrophobicContact CD1-CD2 3.75Å; L120-W183 HydrophobicContact CD1-CE3 3.8Å; L120-W183 HydrophobicContact CD1-CG 4.21Å; L120-W183 HydrophobicContact CD1-CH2 4.43Å; L120-W183 HydrophobicContact CD1-CZ2 4.39Å; L120-W183 HydrophobicContact CD1-CZ3 4.15Å; L120-W183 HydrophobicContact CG-CZ3 4.41Å
121	E	67.5	Low	56.2	Low	145 Å²	145	61.7 Å²	61.7	68%	0.678	35%	0.349	S	S	*	.			trans	-104.6	130.5	176.9	-66.7	-177	173	0	0	110.4
122	L	65.9	Low	58.1	Low	54 Å²	54	55.5 Å²	55.5	28%	0.283	31%	0.305	S	S	.	.			trans	-74.1	134.7	170.9	-69.7	174.8	0	0	0	109.6	Q126 L127 L130 W183 I624	L122-Q126 HydrophobicContact CB-CB 4.31Å; L122-Q126 HydrophobicContact CD2-CB 4.29Å; L122-L127 HydrophobicContact CB-CD2 3.92Å; L122-L127 HydrophobicContact CB-CG 4.12Å; L122-L127 HydrophobicContact CD1-CD2 3.83Å; L122-L130 HydrophobicContact CD1-CD2 4.02Å; L122-W183 HydrophobicContact CD2-CH2 4.27Å; L122-W183 HydrophobicContact CD2-CZ3 3.92Å; L122-I624 HydrophobicContact CD1-CD1 4.44Å
123	K	67.8	Low	59.7	Low	64 Å²	64	54.6 Å²	54.6	28%	0.278	29%	0.291	S	S	.	.			trans	-67.5	152.5	174.6	-66.2	179.3	-179.3	165.1	0	110	Y125 Q126 L127 D152	K123-Y125 VanDerWaalsContact C-N 3.26Å; K123-Y125 HydrophobicContact CB-CD1 3.56Å; K123-Y125 HydrophobicContact CB-CE1 3.26Å; K123-Y125 HydrophobicContact CD-CD1 4.44Å; K123-Y125 HydrophobicContact CD-CE1 3.43Å; K123-Y125 VanDerWaalsContact CD-CE1 3.43Å; K123-Y125 HydrophobicContact CG-CE1 3.95Å; K123-Y125 PolarHBondContact O-N 3.06Å; K123-Y125 VanDerWaalsContact O-N 3.12Å; K123-Q126 HydrophobicContact CB-CG 4.22Å; K123-Q126 WeakPolarHBondContact O-CA 2.92Å; K123-Q126 VanDerWaalsContact O-CB 3.31Å; K123-Q126 WeakPolarHBondContact O-CB 3.32Å; K123-Q126 PolarHBondContact O-N 3.26Å; K123-L127 PolarHBondContact O-N 2.72Å; K123-D152 IonicContact NZ-OD2 2.74Å
124	P	68.7	Low	61.1	Low	104 Å²	104	53.4 Å²	53.4	68%	0.675	29%	0.285	S	S	*	.	H	α-helix	trans	-54.4	-38.5	-175.3	-29	35.3	0	0	0	114.4	Q126 L127 I128	P124-Q126 VanDerWaalsContact C-N 3.32Å; P124-Q126 PolarHBondContact O-N 3.43Å; P124-L127 PolarHBondContact O-N 3.43Å; P124-I128 PolarHBondContact O-N 3.47Å
125	Y	66.5	Low	62.7	Low	38 Å²	38	49.6 Å²	49.6	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-65.9	-35.6	176.5	71.5	-89.3	0	0	0	112.1	K123 L127 I128 G129 R325 V330	K123-Y125 VanDerWaalsContact C-N 3.26Å; K123-Y125 HydrophobicContact CB-CD1 3.56Å; K123-Y125 HydrophobicContact CB-CE1 3.26Å; K123-Y125 HydrophobicContact CD-CD1 4.44Å; K123-Y125 HydrophobicContact CD-CE1 3.43Å; K123-Y125 VanDerWaalsContact CD-CE1 3.43Å; K123-Y125 HydrophobicContact CG-CE1 3.95Å; K123-Y125 PolarHBondContact O-N 3.06Å; K123-Y125 VanDerWaalsContact O-N 3.12Å; Y125-L127 VanDerWaalsContact C-N 3.32Å; Y125-L127 PolarHBondContact O-N 3.12Å; Y125-I128 WeakPolarHBondContact O-CB 3.37Å; Y125-I128 PolarHBondContact O-N 3.48Å; Y125-G129 PolarHBondContact O-N 3.4Å; Y125-R325 PolarHBondContact O-NH1 3.49Å; Y125-V330 HydrophobicContact CD1-CG1 3.39Å; Y125-V330 HydrophobicContact CD2-CB 4.49Å; Y125-V330 HydrophobicContact CD2-CG1 3.45Å; Y125-V330 VanDerWaalsContact CD2-CG1 3.45Å; Y125-V330 HydrophobicContact CD2-CG2 4.15Å; Y125-V330 HydrophobicContact CE1-CG1 3.21Å; Y125-V330 HydrophobicContact CE2-CG1 3.35Å; Y125-V330 HydrophobicContact CG-CB 4.41Å; Y125-V330 HydrophobicContact CG-CG1 3.48Å; Y125-V330 VanDerWaalsContact CG-CG1 3.48Å; Y125-V330 HydrophobicContact CG-CG2 4.24Å
126	Q	68.6	Low	64.3	Low	50 Å²	50	49.1 Å²	49.1	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-39.8	179.2	-63.1	175.7	-37.5	0	0	110.3	L122 K123 P124 I128 G129 L130	L122-Q126 HydrophobicContact CB-CB 4.31Å; L122-Q126 HydrophobicContact CD2-CB 4.29Å; K123-Q126 HydrophobicContact CB-CG 4.22Å; K123-Q126 WeakPolarHBondContact O-CA 2.92Å; K123-Q126 VanDerWaalsContact O-CB 3.31Å; K123-Q126 WeakPolarHBondContact O-CB 3.32Å; K123-Q126 PolarHBondContact O-N 3.26Å; P124-Q126 VanDerWaalsContact C-N 3.32Å; P124-Q126 PolarHBondContact O-N 3.43Å; Q126-I128 VanDerWaalsContact C-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.09Å; Q126-G129 PolarHBondContact O-N 3.03Å; Q126-G129 VanDerWaalsContact O-N 3.12Å; Q126-L130 WeakPolarHBondContact O-CB 3.37Å; Q126-L130 PolarHBondContact O-N 3.31Å
127	L	68.2	Low	65.8	Low	58 Å²	58	50 Å²	50	30%	0.304	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-38.4	174	-65.4	172.9	0	0	0	112.5	L122 K123 P124 Y125 G129 L130 N131	L122-L127 HydrophobicContact CB-CD2 3.92Å; L122-L127 HydrophobicContact CB-CG 4.12Å; L122-L127 HydrophobicContact CD1-CD2 3.83Å; K123-L127 PolarHBondContact O-N 2.72Å; P124-L127 PolarHBondContact O-N 3.43Å; Y125-L127 VanDerWaalsContact C-N 3.32Å; Y125-L127 PolarHBondContact O-N 3.12Å; L127-G129 VanDerWaalsContact C-N 3.34Å; L127-G129 PolarHBondContact O-N 3.09Å; L127-L130 HydrophobicContact CD2-CD2 4.23Å; L127-L130 WeakPolarHBondContact O-CB 3.33Å; L127-L130 PolarHBondContact O-N 3.25Å; L127-N131 WeakPolarHBondContact O-CB 3.32Å; L127-N131 PolarHBondContact O-N 3.06Å
128	I	69.9	Low	67.3	Low	23 Å²	23	51.2 Å²	51.2	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-44.2	174.6	-62.2	170.4	0	0	0	110.5	P124 Y125 Q126 N131 W132 F602 C605 R606	P124-I128 PolarHBondContact O-N 3.47Å; Y125-I128 WeakPolarHBondContact O-CB 3.37Å; Y125-I128 PolarHBondContact O-N 3.48Å; Q126-I128 VanDerWaalsContact C-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.09Å; I128-N131 PolarHBondContact O-N 2.98Å; I128-W132 WeakPolarHBondContact O-CB 3.24Å; I128-W132 PolarHBondContact O-N 3.19Å; I128-F602 HydrophobicContact CD1-CE1 4.26Å; I128-F602 HydrophobicContact CG2-CE1 4.45Å; I128-F602 HydrophobicContact CG2-CZ 4.33Å; I128-C605 HydrophobicContact CG2-CB 4.34Å; I128-R606 HydrophobicContact CD1-CG 3.97Å; I128-R606 HydrophobicContact CG1-CG 4.35Å
129	G	70.4	Confident	68.8	Low	3 Å²	3	46 Å²	46	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-40.1	177.9	0	0	0	0	0	112.9	Y125 Q126 L127 W132 L133	Y125-G129 PolarHBondContact O-N 3.4Å; Q126-G129 PolarHBondContact O-N 3.03Å; Q126-G129 VanDerWaalsContact O-N 3.12Å; L127-G129 VanDerWaalsContact C-N 3.34Å; L127-G129 PolarHBondContact O-N 3.09Å; G129-W132 PolarHBondContact O-N 2.94Å; G129-L133 WeakPolarHBondContact O-CG 3.41Å; G129-L133 PolarHBondContact O-N 3.47Å
130	L	69.6	Low	70	Confident	15 Å²	15	43.9 Å²	43.9	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-54.2	172.6	169.5	60.3	0	0	0	110.7	L122 Q126 L127 W132 L133 I134 L620 V623	L122-L130 HydrophobicContact CD1-CD2 4.02Å; Q126-L130 WeakPolarHBondContact O-CB 3.37Å; Q126-L130 PolarHBondContact O-N 3.31Å; L127-L130 HydrophobicContact CD2-CD2 4.23Å; L127-L130 WeakPolarHBondContact O-CB 3.33Å; L127-L130 PolarHBondContact O-N 3.25Å; L130-W132 VanDerWaalsContact C-N 3.25Å; L130-W132 PolarHBondContact O-N 2.96Å; L130-L133 PolarHBondContact O-N 3.17Å; L130-L133 VanDerWaalsContact O-N 3.12Å; L130-I134 HydrophobicContact CD1-CD1 4.11Å; L130-I134 HydrophobicContact CD1-CG1 4.27Å; L130-I134 HydrophobicContact CG-CD1 4.19Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.1Å; L130-I134 PolarHBondContact O-N 3.23Å; L130-L620 HydrophobicContact CD1-CD2 4.49Å; L130-L620 HydrophobicContact CD2-CD2 3.76Å; L130-V623 HydrophobicContact CD1-CB 3.34Å; L130-V623 HydrophobicContact CD1-CG1 3.19Å; L130-V623 HydrophobicContact CD1-CG2 4.31Å; L130-V623 HydrophobicContact CG-CG1 4.45Å
131	N	72.3	Confident	71	Confident	34 Å²	34	42.4 Å²	42.4	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-37.7	178.4	-73.2	-7.5	0	0	0	112.8	L127 I128 I134 L135	L127-N131 WeakPolarHBondContact O-CB 3.32Å; L127-N131 PolarHBondContact O-N 3.06Å; I128-N131 PolarHBondContact O-N 2.98Å; N131-I134 WeakPolarHBondContact O-CB 3.36Å; N131-I134 PolarHBondContact O-N 3.16Å; N131-L135 PolarHBondContact O-N 3.1Å
132	W	73.7	Confident	71.8	Confident	8 Å²	8	36 Å²	36	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-44.5	175.9	178.5	75.7	0	0	0	112.4	I128 G129 L130 I134 L135 L136 A143 L145 L323	I128-W132 WeakPolarHBondContact O-CB 3.24Å; I128-W132 PolarHBondContact O-N 3.19Å; G129-W132 PolarHBondContact O-N 2.94Å; L130-W132 VanDerWaalsContact C-N 3.25Å; L130-W132 PolarHBondContact O-N 2.96Å; W132-I134 VanDerWaalsContact C-N 3.31Å; W132-I134 PolarHBondContact O-N 2.95Å; W132-L135 WeakPolarHBondContact O-CB 3.14Å; W132-L135 PolarHBondContact O-N 2.87Å; W132-L136 HydrophobicContact CD2-CD1 3.95Å; W132-L136 HydrophobicContact CE3-CD1 4.05Å; W132-L136 HydrophobicContact CH2-CD1 3.61Å; W132-L136 HydrophobicContact CZ2-CD1 3.48Å; W132-L136 VanDerWaalsContact CZ2-CD1 3.48Å; W132-L136 HydrophobicContact CZ3-CD1 3.89Å; W132-L136 WeakPolarHBondContact O-CG 3.33Å; W132-L136 PolarHBondContact O-N 2.95Å; W132-L136 VanDerWaalsContact O-N 3.11Å; W132-A143 HydrophobicContact CH2-CB 3.89Å; W132-A143 HydrophobicContact CZ3-CB 3.93Å; W132-L145 HydrophobicContact CE3-CD1 4.47Å; W132-L145 HydrophobicContact CZ3-CD1 4.22Å; W132-L323 HydrophobicContact CB-CD2 4.18Å; W132-L323 HydrophobicContact CD2-CB 3.79Å; W132-L323 HydrophobicContact CD2-CD2 3.91Å; W132-L323 HydrophobicContact CD2-CG 4.33Å; W132-L323 HydrophobicContact CE3-CB 3.63Å; W132-L323 HydrophobicContact CE3-CD2 3.72Å; W132-L323 HydrophobicContact CE3-CG 4.29Å; W132-L323 HydrophobicContact CG-CD2 4.13Å; W132-L323 HydrophobicContact CH2-CB 3.61Å; W132-L323 HydrophobicContact CZ2-CB 3.76Å; W132-L323 HydrophobicContact CZ3-CB 3.54Å; W132-L323 HydrophobicContact CZ3-CD2 4.39Å
133	L	72.5	Confident	72.5	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-37.1	175.1	-72.5	174.5	0	0	0	112.2	G129 L130 L136 R137 A143 I270 V623	G129-L133 WeakPolarHBondContact O-CG 3.41Å; G129-L133 PolarHBondContact O-N 3.47Å; L130-L133 PolarHBondContact O-N 3.17Å; L130-L133 VanDerWaalsContact O-N 3.12Å; L133-L136 PolarHBondContact O-N 3.47Å; L133-R137 PolarHBondContact O-N 2.66Å; L133-A143 HydrophobicContact CD2-CB 3.78Å; L133-I270 HydrophobicContact CD2-CD1 4.48Å; L133-V623 HydrophobicContact CB-CG1 3.77Å; L133-V623 HydrophobicContact CD1-CG1 3.64Å; L133-V623 HydrophobicContact CG-CG1 4.36Å
134	I	69.4	Low	73.2	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-47	174.3	-66.5	177.3	0	0	0	110.9	L130 N131 W132 L136 R137 K138 F610 L619 V623	L130-I134 HydrophobicContact CD1-CD1 4.11Å; L130-I134 HydrophobicContact CD1-CG1 4.27Å; L130-I134 HydrophobicContact CG-CD1 4.19Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.1Å; L130-I134 PolarHBondContact O-N 3.23Å; N131-I134 WeakPolarHBondContact O-CB 3.36Å; N131-I134 PolarHBondContact O-N 3.16Å; W132-I134 VanDerWaalsContact C-N 3.31Å; W132-I134 PolarHBondContact O-N 2.95Å; I134-L136 VanDerWaalsContact C-N 3.33Å; I134-L136 PolarHBondContact O-N 3.28Å; I134-R137 WeakPolarHBondContact O-CB 3.45Å; I134-R137 PolarHBondContact O-N 2.95Å; I134-K138 PolarHBondContact O-N 3Å; I134-K138 VanDerWaalsContact O-N 3.12Å; I134-F610 HydrophobicContact CB-CE2 4.12Å; I134-F610 HydrophobicContact CB-CZ 4.14Å; I134-F610 HydrophobicContact CD1-CD2 4.47Å; I134-F610 HydrophobicContact CD1-CE2 4.05Å; I134-F610 HydrophobicContact CG2-CD2 4.2Å; I134-F610 HydrophobicContact CG2-CE1 3.76Å; I134-F610 HydrophobicContact CG2-CE2 3.36Å; I134-F610 HydrophobicContact CG2-CZ 3.13Å; I134-L619 HydrophobicContact CB-CD2 3.46Å; I134-L619 VanDerWaalsContact CB-CD2 3.46Å; I134-L619 HydrophobicContact CD1-CB 4.45Å; I134-L619 HydrophobicContact CD1-CD2 4.22Å; I134-L619 HydrophobicContact CG1-CB 4.28Å; I134-L619 HydrophobicContact CG1-CD2 3.36Å; I134-L619 HydrophobicContact CG1-CG 4.45Å; I134-L619 HydrophobicContact CG2-CD2 3.26Å; I134-V623 HydrophobicContact CG1-CG2 4.31Å
135	L	72.8	Confident	73.8	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-44.1	179.2	-178.2	67.7	0	0	0	111.3	L78 H81 V82 L85 N131 W132 R137 K138 L139 I608	L78-L135 HydrophobicContact CD2-CD2 3.55Å; L78-L135 HydrophobicContact CD2-CG 3.77Å; H81-L135 HydrophobicContact CB-CD1 4.12Å; V82-L135 HydrophobicContact CG2-CD1 4.29Å; V82-L135 HydrophobicContact CG2-CD2 3.49Å; V82-L135 VanDerWaalsContact CG2-CD2 3.49Å; L85-L135 HydrophobicContact CD1-CD1 4.33Å; N131-L135 PolarHBondContact O-N 3.1Å; W132-L135 WeakPolarHBondContact O-CB 3.14Å; W132-L135 PolarHBondContact O-N 2.87Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.12Å; L135-K138 PolarHBondContact O-N 3.42Å; L135-L139 PolarHBondContact O-N 3.22Å; L135-I608 HydrophobicContact CD2-CD1 4.4Å
136	L	75.9	Confident	74.3	Confident	2 Å²	2	25 Å²	25	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-35.1	176.6	-67.7	177.6	0	0	0	112.8	L78 W132 L133 I134 L139 G140 V141 A143	L78-L136 HydrophobicContact CD1-CD2 4.34Å; L78-L136 HydrophobicContact CD2-CD2 4.06Å; W132-L136 HydrophobicContact CD2-CD1 3.95Å; W132-L136 HydrophobicContact CE3-CD1 4.05Å; W132-L136 HydrophobicContact CH2-CD1 3.61Å; W132-L136 HydrophobicContact CZ2-CD1 3.48Å; W132-L136 VanDerWaalsContact CZ2-CD1 3.48Å; W132-L136 HydrophobicContact CZ3-CD1 3.89Å; W132-L136 WeakPolarHBondContact O-CG 3.33Å; W132-L136 PolarHBondContact O-N 2.95Å; W132-L136 VanDerWaalsContact O-N 3.11Å; L133-L136 PolarHBondContact O-N 3.47Å; I134-L136 VanDerWaalsContact C-N 3.33Å; I134-L136 PolarHBondContact O-N 3.28Å; L136-L139 PolarHBondContact O-N 3.42Å; L136-G140 PolarHBondContact O-N 2.71Å; L136-G140 VanDerWaalsContact O-N 3.08Å; L136-V141 HydrophobicContact CD2-CB 4.09Å; L136-V141 HydrophobicContact CD2-CG1 4.03Å; L136-V141 PolarHBondContact O-N 3.15Å; L136-A143 HydrophobicContact CD1-CB 3.47Å; L136-A143 VanDerWaalsContact CD1-CB 3.47Å
137	R	71.8	Confident	74.5	Confident	65 Å²	65	24.9 Å²	24.9	25%	0.245	14%	0.136	C	C	.	.	H	α-helix	trans	-58.6	-47.8	171.5	173.2	175.4	178.1	-162.1	-11.6	111.2	L133 I134 L135 L139 G140 Y241 L619 Q622	L133-R137 PolarHBondContact O-N 2.66Å; I134-R137 WeakPolarHBondContact O-CB 3.45Å; I134-R137 PolarHBondContact O-N 2.95Å; L135-R137 VanDerWaalsContact C-N 3.32Å; L135-R137 PolarHBondContact O-N 3.12Å; R137-L139 PolarHBondContact O-N 3.2Å; R137-G140 PolarHBondContact O-N 3.27Å; R137-Y241 WeakPolarHBondContact CD-OH 3.47Å; R137-Y241 WeakPolarHBondContact CG-OH 3.31Å; R137-L619 HydrophobicContact CB-CD2 4.29Å; R137-L619 HydrophobicContact CG-CD2 4.4Å; R137-L619 VanDerWaalsContact NH1-CD1 3.25Å; R137-Q622 VanDerWaalsContact CZ-OE1 3.23Å
138	K	71.7	Confident	74.1	Confident	96 Å²	96	25 Å²	25	42%	0.417	13%	0.134	S	C	.	.	H	α-helix	trans	-60.4	-32.3	-179.4	-70.4	-163.2	173.5	-154.2	0	112.3	I134 L135 F610 D615	I134-K138 PolarHBondContact O-N 3Å; I134-K138 VanDerWaalsContact O-N 3.12Å; L135-K138 PolarHBondContact O-N 3.42Å; K138-F610 HydrophobicContact CD-CE1 4.15Å; K138-D615 IonicContact NZ-OD2 3.86Å; K138-D615 PolarHBondContact NZ-OD2 2.95Å
139	L	74.8	Confident	73.6	Confident	45 Å²	45	25.5 Å²	25.5	24%	0.236	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.1	176.7	-67.9	173.4	0	0	0	114.4	L78 H81 L135 L136 R137 V141	L78-L139 HydrophobicContact CB-CD1 4.24Å; L78-L139 HydrophobicContact CD1-CD1 4.47Å; L78-L139 HydrophobicContact CD2-CD1 3.19Å; L78-L139 HydrophobicContact CG-CD1 3.34Å; H81-L139 VanDerWaalsContact CE1-CD2 3.48Å; H81-L139 WeakPolarHBondContact CE1-CD2 3.47Å; H81-L139 WeakPolarHBondContact ND1-CD2 3.3Å; L135-L139 PolarHBondContact O-N 3.22Å; L136-L139 PolarHBondContact O-N 3.42Å; R137-L139 PolarHBondContact O-N 3.2Å; L139-V141 HydrophobicContact CB-CB 4.43Å; L139-V141 HydrophobicContact CB-CG2 3.8Å; L139-V141 PolarHBondContact O-N 3.22Å
140	G	76	Confident	72.1	Confident	46 Å²	46	26.9 Å²	26.9	47%	0.474	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	17.8	-175.5	0	0	0	0	0	113.9	L136 R137	L136-G140 PolarHBondContact O-N 2.71Å; L136-G140 VanDerWaalsContact O-N 3.08Å; R137-G140 PolarHBondContact O-N 3.27Å
141	V	78.1	Confident	70.7	Confident	19 Å²	19	30.5 Å²	30.5	12%	0.115	16%	0.16	C	C	.	.			trans	-93.4	146.5	-175.1	179.3	0	0	0	0	110.5	I74 L136 L139 Q268 M292 F321	I74-V141 HydrophobicContact CG2-CG2 3.98Å; L136-V141 HydrophobicContact CD2-CB 4.09Å; L136-V141 HydrophobicContact CD2-CG1 4.03Å; L136-V141 PolarHBondContact O-N 3.15Å; L139-V141 HydrophobicContact CB-CB 4.43Å; L139-V141 HydrophobicContact CB-CG2 3.8Å; L139-V141 PolarHBondContact O-N 3.22Å; V141-Q268 PolarHBondContact O-NE2 2.91Å; V141-M292 HydrophobicContact CG1-SD 4.48Å; V141-F321 HydrophobicContact CG1-CD1 3.59Å; V141-F321 HydrophobicContact CG1-CE1 3.54Å
142	S	82.8	Confident	69.1	Low	11 Å²	11	31 Å²	31	8%	0.077	16%	0.163	C	C	.	.			trans	-89.1	156.8	177.3	-71.6	0	0	0	0	111.1	R269 V291	S142-R269 WeakPolarHBondContact CA-O 3.42Å; S142-R269 WeakPolarHBondContact CB-O 3.03Å; S142-R269 PolarHBondContact OG-N 2.76Å; S142-R269 PolarHBondContact OG-O 3.23Å; S142-V291 VanDerWaalsContact C-CG1 3.49Å; S142-V291 WeakPolarHBondContact CB-O 3.31Å; S142-V291 PolarHBondContact OG-O 2.96Å
143	A	81.5	Confident	67	Low	2 Å²	2	35.9 Å²	35.9	2%	0.017	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149	-165.1	0	0	0	0	0	113.6	W132 L133 L136 R269 I270 L271	W132-A143 HydrophobicContact CH2-CB 3.89Å; W132-A143 HydrophobicContact CZ3-CB 3.93Å; L133-A143 HydrophobicContact CD2-CB 3.78Å; L136-A143 HydrophobicContact CD1-CB 3.47Å; L136-A143 VanDerWaalsContact CD1-CB 3.47Å; A143-R269 PolarHBondContact N-O 3.31Å; A143-I270 WeakPolarHBondContact O-CA 3.37Å; A143-L271 PolarHBondContact O-N 3.04Å
144	V	82	Confident	64.9	Low	3 Å²	3	42.2 Å²	42.2	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	111.2	164.3	-174.2	0	0	0	0	109	L271 T273 V291 F321 T322 L323	V144-L271 CarbonylContact C-O 3.52Å; V144-L271 WeakPolarHBondContact CA-O 3.25Å; V144-L271 HydrophobicContact CG1-CB 4.3Å; V144-L271 HydrophobicContact CG2-CB 4.26Å; V144-L271 HydrophobicContact CG2-CD1 4.32Å; V144-T273 HydrophobicContact CG1-CG2 4.26Å; V144-V291 HydrophobicContact CG2-CG2 3.63Å; V144-F321 PolarHBondContact N-O 3Å; V144-T322 HydrophobicContact CB-CG2 4.06Å; V144-T322 HydrophobicContact CG1-CG2 3.99Å; V144-T322 VanDerWaalsContact O-CA 3.3Å; V144-T322 WeakPolarHBondContact O-CA 3.42Å; V144-L323 PolarHBondContact O-N 3.21Å
145	L	81.8	Confident	62.9	Low	23 Å²	23	48.1 Å²	48.1	12%	0.12	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.7	172.2	-167.7	67.7	0	0	0	108.9	W132 L271 L272 T273 L323	W132-L145 HydrophobicContact CE3-CD1 4.47Å; W132-L145 HydrophobicContact CZ3-CD1 4.22Å; L145-L271 PolarHBondContact N-O 2.77Å; L145-L272 HydrophobicContact CB-CD2 3.77Å; L145-L272 HydrophobicContact CD2-CD2 3.99Å; L145-L272 HydrophobicContact CG-CD2 4.47Å; L145-T273 PolarHBondContact O-N 3.03Å; L145-L323 HydrophobicContact CD1-CB 4.09Å; L145-L323 HydrophobicContact CD1-CD2 3.82Å; L145-L323 HydrophobicContact CD1-CG 4.28Å
146	A	76.4	Confident	60.7	Low	1 Å²	1	54.2 Å²	54.2	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	61.9	-172.6	0	0	0	0	0	112.1	T273 P276 T322 L323 R324	A146-T273 CarbonylContact C-O 3.6Å; A146-T273 WeakPolarHBondContact CA-O 3.11Å; A146-P276 HydrophobicContact CB-CB 4.16Å; A146-P276 HydrophobicContact CB-CG 3.89Å; A146-T322 HydrophobicContact CB-CG2 3.75Å; A146-L323 WeakPolarHBondContact CA-O 3.49Å; A146-L323 PolarHBondContact N-O 3.21Å; A146-R324 HydrophobicContact CB-CB 4.1Å; A146-R324 HydrophobicContact CB-CG 4.39Å; A146-R324 WeakPolarHBondContact O-CA 3.13Å; A146-R324 WeakPolarHBondContact O-CG 3.41Å
147	D	72.3	Confident	58.3	Low	47 Å²	47	62 Å²	62	25%	0.251	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.8	179.2	-68.7	-29.7	0	0	0	112.8	M149 G274 R325	D147-M149 PolarHBondContact O-N 3.27Å; D147-G274 VanDerWaalsContact O-CA 3.29Å; D147-G274 WeakPolarHBondContact O-CA 3.29Å; D147-R325 IonicContact OD1-CZ 3.45Å; D147-R325 VanDerWaalsContact OD1-CZ 3.24Å; D147-R325 IonicContact OD1-NE 2.73Å; D147-R325 PolarHBondContact OD1-NE 3.25Å; D147-R325 IonicContact OD1-NH2 3.57Å; D147-R325 PolarHBondContact OD1-NH2 3.39Å; D147-R325 IonicContact OD2-CZ 3.45Å; D147-R325 IonicContact OD2-NE 2.86Å; D147-R325 IonicContact OD2-NH2 3.59Å; D147-R325 PolarHBondContact OD2-NH2 3.4Å
148	E	61.6	Low	56.2	Low	60 Å²	60	67.8 Å²	67.8	28%	0.28	34%	0.339	S	S	.	.			trans	-61.4	135.2	170.7	-164.5	178.7	178.8	0	0	110.9	A150 R325 L326 K327	E148-A150 PolarHBondContact O-N 3.25Å; E148-A150 VanDerWaalsContact O-N 3.1Å; E148-R325 PolarHBondContact N-O 3.48Å; E148-L326 WeakPolarHBondContact OE2-CA 3.46Å; E148-K327 HydrophobicContact CB-CG 3.97Å; E148-K327 HydrophobicContact CG-CD 3.93Å; E148-K327 HydrophobicContact CG-CG 3.76Å; E148-K327 PolarHBondContact OE2-N 3.44Å
149	M	58.5	Low	54	Low	33 Å²	33	71.9 Å²	71.9	16%	0.163	36%	0.36	C	S	.	.	S	Bend	trans	-70.1	108.6	-157.5	-58.4	-172.5	82.4	0	0	113.9	D147 E246 K327 Q546 R550	D147-M149 PolarHBondContact O-N 3.27Å; M149-E246 WeakPolarHBondContact CE-OE1 3.46Å; M149-K327 WeakPolarHBondContact O-CE 3.41Å; M149-K327 PolarHBondContact O-NZ 2.98Å; M149-K327 VanDerWaalsContact O-NZ 3.08Å; M149-Q546 HydrophobicContact CE-CG 4.35Å; M149-Q546 HydrophobicContact SD-CB 4.24Å; M149-Q546 HydrophobicContact SD-CG 3.64Å; M149-Q546 PolarHBondContact SD-NE2 3.46Å; M149-R550 PolarHBondContact SD-NH2 3.3Å
150	A	38.1	Very low	51.7	Low	32 Å²	32	74 Å²	74	26%	0.264	38%	0.377	S	S	.	.			trans	-144.7	108.9	160.8	0	0	0	0	0	109.4	E148 L331 V554	E148-A150 PolarHBondContact O-N 3.25Å; E148-A150 VanDerWaalsContact O-N 3.1Å; A150-L331 HydrophobicContact CB-CD1 4.2Å; A150-V554 HydrophobicContact CB-CG2 4.35Å
151	R	40.3	Very low	49.3	Very low	91 Å²	91	78.9 Å²	78.9	34%	0.343	39%	0.393	S	S	.	.			trans	-103.9	143.9	178.1	-142.3	174	-106.9	177.2	0.8	108.4	D245 R553	R151-D245 IonicContact CZ-OD2 2.66Å; R151-D245 IonicContact NH1-OD2 2.71Å; R151-D245 PolarHBondContact NH1-OD2 3.4Å; R151-D245 VanDerWaalsContact NH1-OD2 3.07Å; R151-D245 VanDerWaalsContact NH2-CG 3.27Å; R151-D245 IonicContact NH2-OD1 3.58Å; R151-D245 PolarHBondContact NH2-OD1 2.85Å; R151-D245 IonicContact NH2-OD2 3.53Å; R151-D245 PolarHBondContact NH2-OD2 3.45Å; R151-R553 PolarHBondContact O-NH2 2.97Å
152	D	39.3	Very low	47	Very low	46 Å²	46	83.1 Å²	83.1	25%	0.246	41%	0.413	C	S	.	.			trans	-108.7	128.5	-178.4	-69	-26.9	0	0	0	110.6	K123 R182 V554	K123-D152 IonicContact NZ-OD2 2.74Å; D152-R182 PolarHBondContact O-NH1 3.1Å; D152-V554 VanDerWaalsContact OD1-CB 3.26Å; D152-V554 WeakPolarHBondContact OD1-CB 3.42Å; D152-V554 WeakPolarHBondContact OD1-CG1 3.21Å
153	R	30.1	Very low	44.5	Very low	110 Å²	110	90.5 Å²	90.5	42%	0.415	44%	0.444	S	S	.	.			trans	-117.4	131.8	-179.2	-86	-174.5	168.6	177.1	-2.2	112.5	N175 R182	R153-N175 VanDerWaalsContact CZ-OD1 3.28Å; R153-N175 PolarHBondContact NE-OD1 3.26Å; R153-N175 PolarHBondContact NH2-OD1 2.92Å; R153-R182 VanDerWaalsContact CA-NH1 3.35Å
154	M	28.6	Very low	42.3	Very low	147 Å²	147	92 Å²	92	72%	0.724	46%	0.455	S	S	*	.			trans	-161	146.9	160.6	-61.7	-167.3	159.9	0	0	112.2	R182	M154-R182 WeakPolarHBondContact O-CD 3.29Å; M154-R182 WeakPolarHBondContact O-CG 3.41Å; M154-R182 VanDerWaalsContact O-CZ 3.26Å; M154-R182 PolarHBondContact O-NE 3.48Å
155	D	26.6	Very low	40.6	Very low	131 Å²	131	100 Å²	100	70%	0.701	50%	0.495	S	S	*	.			trans	-94.2	154.8	-168.5	-69.3	-53.2	0	0	0	115.7
156	L	26.6	Very low	39.1	Very low	128 Å²	128	102.7 Å²	102.7	67%	0.67	51%	0.509	S	S	*	.			trans	145.6	145.1	139.4	-82.9	152.3	0	0	0	114.7	K117	K117-L156 VanDerWaalsContact NZ-C 3.33Å; K117-L156 PolarHBondContact NZ-O 3.44Å
157	E	25.8	Very low	37.7	Very low	165 Å²	165	103.2 Å²	103.2	77%	0.771	51%	0.513	S	S	*	.			trans	-78.4	153.2	-166.3	-64.1	165.3	131.2	0	0	116.5
158	K	27.4	Very low	37.1	Very low	187 Å²	187	101 Å²	101	81%	0.813	50%	0.501	S	S	*	.				175	138.4	122.8	-94.1	174.6	-178	-178.3	0	112.2	P185	K158-P185 WeakPolarHBondContact O-CB 3.4Å
159	Q	26	Very low	36.9	Very low	183 Å²	183	98.2 Å²	98.2	86%	0.855	49%	0.488	S	S	*	.			trans	-70.9	147.3	-172.7	-85.2	161.6	-42.9	0	0	115.7
160	C	25.5	Very low	36.9	Very low	88 Å²	88	96.8 Å²	96.8	60%	0.595	48%	0.481	S	S	*	.			trans	-146.5	157.9	150.2	-94.8	0	0	0	0	108.6	S186	C160-S186 VanDerWaalsContact O-CA 3.23Å; C160-S186 WeakPolarHBondContact O-CA 3.44Å
161	N	26	Very low	37.9	Very low	149 Å²	149	95.3 Å²	95.3	80%	0.797	47%	0.468	S	S	*	.			trans	-129.7	102.2	-159.8	-162	13.6	0	0	0	110.8
162	I	30.8	Very low	39	Very low	108 Å²	108	91.6 Å²	91.6	55%	0.554	46%	0.455	S	S	*	.			trans	-148.1	123.5	173.3	-54.8	179.5	0	0	0	111.3
163	K	29	Very low	39.8	Very low	167 Å²	167	93.9 Å²	93.9	73%	0.726	46%	0.464	S	S	*	.			trans	-76.5	142.2	-170.1	-62.6	172.3	176.1	179.2	0	114.6
164	S	35	Very low	41.2	Very low	33 Å²	33	93.6 Å²	93.6	23%	0.231	47%	0.467	C	S	.	.			trans	-126.4	148.8	156.8	57	0	0	0	0	111.9	I166 D215 R625	S164-I166 PolarHBondContact O-N 3.24Å; S164-D215 WeakPolarHBondContact CA-OD1 3.32Å; S164-D215 WeakPolarHBondContact CB-OD1 3.4Å; S164-D215 PolarHBondContact N-OD1 3.19Å; S164-D215 PolarHBondContact OG-OD1 2.97Å; S164-R625 PolarHBondContact OG-NH1 2.88Å; S164-R625 PolarHBondContact OG-NH2 3.36Å
165	I	45.9	Very low	43.2	Very low	170 Å²	170	88.1 Å²	88.1	87%	0.872	44%	0.441	S	S	*	.	S	Bend	trans	-85.3	-7	-150.6	-65.8	166.5	0	0	0	114.8
166	I	51.6	Low	45.4	Very low	80 Å²	80	83 Å²	83	41%	0.41	41%	0.412	S	S	.	.	S	Bend	trans	-139.8	129.6	-175.9	-52.4	-179.6	0	0	0	111.5	S164 G238 N240	S164-I166 PolarHBondContact O-N 3.24Å; I166-G238 WeakPolarHBondContact CG2-O 3.15Å; I166-N240 HydrophobicContact CB-CB 4.37Å; I166-N240 HydrophobicContact CG2-CB 3.83Å
167	P	47.3	Very low	47.8	Very low	13 Å²	13	80.1 Å²	80.1	8%	0.084	40%	0.397	C	S	.	.			trans	-76.1	144.4	-172.6	29.6	-35.4	0	0	0	114.2	F214 D215 V217 L237 N240	P167-F214 HydrophobicContact CB-CD2 3.69Å; P167-F214 HydrophobicContact CB-CE2 3.48Å; P167-F214 VanDerWaalsContact CB-CE2 3.48Å; P167-F214 HydrophobicContact CG-CD2 4.45Å; P167-F214 HydrophobicContact CG-CE2 3.81Å; P167-D215 CarbonylContact C-O 3.55Å; P167-D215 WeakPolarHBondContact CA-O 3.24Å; P167-V217 HydrophobicContact CB-CG2 4.03Å; P167-L237 HydrophobicContact CG-CB 4.16Å; P167-L237 VanDerWaalsContact CG-O 3.27Å; P167-L237 WeakPolarHBondContact CG-O 3.19Å; P167-N240 PolarHBondContact O-N 3.23Å
168	I	59.2	Low	50	Low	1 Å²	1	75.4 Å²	75.4	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.9	169.1	-66.4	166.2	0	0	0	108.9	L170 D215 V216 V217 Y241 I243 Q622 R625	I168-L170 HydrophobicContact CG2-CD2 4.01Å; I168-L170 HydrophobicContact CG2-CG 4.16Å; I168-D215 PolarHBondContact N-O 3Å; I168-V216 HydrophobicContact CB-CG2 4.39Å; I168-V216 CarbonylContact O-C 3.58Å; I168-V216 WeakPolarHBondContact O-CA 3.4Å; I168-V217 PolarHBondContact O-N 2.89Å; I168-Y241 WeakPolarHBondContact CA-O 3.45Å; I168-Y241 HydrophobicContact CG1-CD2 4.39Å; I168-I243 HydrophobicContact CG2-CD1 3.78Å; I168-I243 HydrophobicContact CG2-CG1 4.38Å; I168-Q622 HydrophobicContact CD1-CG 4.5Å; I168-R625 HydrophobicContact CD1-CB 4.25Å; I168-R625 HydrophobicContact CD1-CG 4.39Å
169	L	56.9	Low	51.9	Low	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.6	175.4	-169.8	70.9	0	0	0	110.2	L171 V217 T219 I239 Y241 I243 L264	L169-L171 HydrophobicContact CD2-CD1 4.35Å; L169-L171 HydrophobicContact CD2-CG 4.49Å; L169-V217 HydrophobicContact CD1-CB 3.82Å; L169-V217 HydrophobicContact CD1-CG1 3.71Å; L169-T219 HydrophobicContact CD1-CG2 3.44Å; L169-T219 VanDerWaalsContact CD1-CG2 3.44Å; L169-T219 HydrophobicContact CD2-CG2 4.37Å; L169-T219 HydrophobicContact CG-CG2 3.97Å; L169-I239 HydrophobicContact CB-CD1 3.84Å; L169-I239 HydrophobicContact CB-CG1 4.18Å; L169-I239 HydrophobicContact CB-CG2 3.92Å; L169-I239 HydrophobicContact CD2-CD1 3.68Å; L169-I239 HydrophobicContact CG-CD1 4.29Å; L169-Y241 PolarHBondContact N-O 3.41Å; L169-I243 PolarHBondContact O-N 3.23Å; L169-L264 HydrophobicContact CD2-CD1 4.04Å
170	L	59.9	Low	54.1	Low	3 Å²	3	59.1 Å²	59.1	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.8	175.8	-69.2	-176.4	0	0	0	109.7	I168 W176 L180 V216 V217 L218 T219 I243	I168-L170 HydrophobicContact CG2-CD2 4.01Å; I168-L170 HydrophobicContact CG2-CG 4.16Å; L170-W176 HydrophobicContact CD1-CE3 4.17Å; L170-L180 HydrophobicContact CD1-CD1 3.76Å; L170-V216 HydrophobicContact CD1-CG1 3.56Å; L170-V216 HydrophobicContact CG-CG1 3.84Å; L170-V217 PolarHBondContact N-O 2.89Å; L170-L218 HydrophobicContact CB-CD2 3.67Å; L170-L218 HydrophobicContact CD1-CD2 3.67Å; L170-L218 HydrophobicContact CG-CD2 4.27Å; L170-T219 PolarHBondContact O-N 2.86Å; L170-T219 VanDerWaalsContact O-O 3.09Å; L170-I243 HydrophobicContact CD2-CB 3.45Å; L170-I243 VanDerWaalsContact CD2-CB 3.45Å; L170-I243 HydrophobicContact CD2-CD1 3.31Å; L170-I243 HydrophobicContact CD2-CG1 3.82Å; L170-I243 HydrophobicContact CD2-CG2 3.93Å
171	L	58.7	Low	56.4	Low	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.4	175.5	-76.3	161.7	0	0	0	109.7	L169 T219 T220 Y221 A224 I243 F244 D245 L261	L169-L171 HydrophobicContact CD2-CD1 4.35Å; L169-L171 HydrophobicContact CD2-CG 4.49Å; L171-T219 WeakPolarHBondContact CA-O 3.41Å; L171-T219 HydrophobicContact CD2-CG2 3.5Å; L171-T219 VanDerWaalsContact CD2-CG2 3.5Å; L171-T219 HydrophobicContact CG-CG2 4.09Å; L171-T220 VanDerWaalsContact CD2-C 3.42Å; L171-T220 WeakPolarHBondContact CD2-O 3.48Å; L171-Y221 HydrophobicContact CB-CE2 4.3Å; L171-A224 HydrophobicContact CD2-CB 3.6Å; L171-I243 PolarHBondContact N-O 2.92Å; L171-F244 HydrophobicContact CB-CD1 4.33Å; L171-F244 HydrophobicContact CD1-CD1 3.42Å; L171-F244 VanDerWaalsContact CD1-CD1 3.42Å; L171-F244 HydrophobicContact CD1-CE1 3.2Å; L171-F244 HydrophobicContact CD1-CG 4.42Å; L171-F244 HydrophobicContact CD1-CZ 4.05Å; L171-F244 HydrophobicContact CG-CD1 4.49Å; L171-D245 WeakPolarHBondContact O-CB 3.4Å; L171-D245 PolarHBondContact O-N 2.87Å; L171-L261 HydrophobicContact CD1-CD2 4.06Å
172	F	62.7	Low	58.3	Low	12 Å²	12	53 Å²	53	5%	0.053	27%	0.268	C	S	.	.			trans	-137.4	169.3	-173.5	72.5	-73.8	0	0	0	113.3	W176 Y193 L218 T219 D245	F172-W176 HydrophobicContact CB-CG 4.07Å; F172-W176 HydrophobicContact CD1-CB 4.26Å; F172-W176 HydrophobicContact CD1-CG 4.45Å; F172-W176 HydrophobicContact CD2-CB 3.9Å; F172-W176 AromaticContact CD2-CD1 3.48Å; F172-W176 VanDerWaalsContact CD2-CD1 3.48Å; F172-W176 HydrophobicContact CD2-CG 4.06Å; F172-W176 HydrophobicContact CE1-CB 4.42Å; F172-W176 HydrophobicContact CE2-CB 4.03Å; F172-W176 HydrophobicContact CG-CB 4.02Å; F172-W176 AromaticContact CG-CD1 3.37Å; F172-W176 AromaticContact CG-CG 3.94Å; F172-W176 HydrophobicContact CG-CG 3.94Å; F172-W176 HydrophobicContact CZ-CB 4.29Å; F172-Y193 HydrophobicContact CE1-CE2 4.09Å; F172-Y193 AromaticContact CE1-CZ 3.88Å; F172-Y193 WeakPolarHBondContact CE1-OH 3.34Å; F172-Y193 HydrophobicContact CZ-CE2 4.03Å; F172-Y193 AromaticContact CZ-CZ 3.76Å; F172-Y193 WeakPolarHBondContact CZ-OH 3.33Å; F172-L218 HydrophobicContact CD1-CD2 3.65Å; F172-L218 HydrophobicContact CE1-CB 3.61Å; F172-L218 HydrophobicContact CE1-CD1 4.22Å; F172-L218 HydrophobicContact CE1-CD2 3.22Å; F172-L218 HydrophobicContact CE1-CG 3.85Å; F172-L218 HydrophobicContact CZ-CB 4.21Å; F172-L218 HydrophobicContact CZ-CD1 4.19Å; F172-L218 HydrophobicContact CZ-CD2 3.87Å; F172-L218 HydrophobicContact CZ-CG 4.33Å; F172-T219 PolarHBondContact N-O 2.97Å; F172-D245 HydrophobicContact CB-CB 4.13Å
173	H	55.3	Low	59.9	Low	94 Å²	94	50.1 Å²	50.1	44%	0.435	25%	0.25	S	S	.	.	S	Bend	trans	-87	-64.7	173.8	-155.1	51.7	0	0	0	110.9	L522	H173-L522 WeakPolarHBondContact NE2-CD2 3.32Å
174	H	60.7	Low	61.8	Low	104 Å²	104	42.3 Å²	42.3	48%	0.481	22%	0.217	S	C	.	.	S	Bend	trans	-154.1	171.3	175.1	-64.2	-67.9	0	0	0	111.3
175	N	71.2	Confident	63.6	Low	33 Å²	33	42.3 Å²	42.3	18%	0.176	22%	0.216	C	C	.	.	S	Bend	trans	84.8	-20.3	174.3	-154	64.7	0	0	0	119.5	R153 L177 S178 E179	R153-N175 VanDerWaalsContact CZ-OD1 3.28Å; R153-N175 PolarHBondContact NE-OD1 3.26Å; R153-N175 PolarHBondContact NH2-OD1 2.92Å; N175-L177 VanDerWaalsContact C-N 3.33Å; N175-L177 PolarHBondContact O-N 3.26Å; N175-S178 PolarHBondContact O-N 3.32Å; N175-E179 WeakPolarHBondContact ND2-CG 3.48Å; N175-E179 PolarHBondContact ND2-OE1 3.41Å; N175-E179 PolarHBondContact O-N 3.49Å
176	W	72.6	Confident	64.7	Low	24 Å²	24	34.7 Å²	34.7	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-33.9	-175.6	-80.9	87.8	0	0	0	114.4	L170 F172 S178 E179 L180 L218 D245 L272 T626	L170-W176 HydrophobicContact CD1-CE3 4.17Å; F172-W176 HydrophobicContact CB-CG 4.07Å; F172-W176 HydrophobicContact CD1-CB 4.26Å; F172-W176 HydrophobicContact CD1-CG 4.45Å; F172-W176 HydrophobicContact CD2-CB 3.9Å; F172-W176 AromaticContact CD2-CD1 3.48Å; F172-W176 VanDerWaalsContact CD2-CD1 3.48Å; F172-W176 HydrophobicContact CD2-CG 4.06Å; F172-W176 HydrophobicContact CE1-CB 4.42Å; F172-W176 HydrophobicContact CE2-CB 4.03Å; F172-W176 HydrophobicContact CG-CB 4.02Å; F172-W176 AromaticContact CG-CD1 3.37Å; F172-W176 AromaticContact CG-CG 3.94Å; F172-W176 HydrophobicContact CG-CG 3.94Å; F172-W176 HydrophobicContact CZ-CB 4.29Å; W176-S178 VanDerWaalsContact C-N 3.33Å; W176-S178 PolarHBondContact O-N 3.5Å; W176-E179 PolarHBondContact O-N 3.04Å; W176-L180 WeakPolarHBondContact O-CB 3.41Å; W176-L180 VanDerWaalsContact O-CG 3.27Å; W176-L180 WeakPolarHBondContact O-CG 3.38Å; W176-L180 PolarHBondContact O-N 3.33Å; W176-L218 HydrophobicContact CB-CD2 3.77Å; W176-D245 PolarHBondContact NE1-OD2 3.03Å; W176-L272 HydrophobicContact CH2-CD1 4.04Å; W176-L272 HydrophobicContact CZ2-CD1 3.77Å; W176-T626 VanDerWaalsContact CH2-O 3.29Å; W176-T626 WeakPolarHBondContact CH2-O 3.42Å
177	L	75.9	Confident	65.7	Low	67 Å²	67	31.6 Å²	31.6	35%	0.351	16%	0.162	S	C	.	.	H	α-helix	trans	-59.4	-44.6	177.3	-176.6	64.2	0	0	0	111.9	N175 N181 V189 T191 L218	N175-L177 VanDerWaalsContact C-N 3.33Å; N175-L177 PolarHBondContact O-N 3.26Å; L177-N181 WeakPolarHBondContact O-CB 3.21Å; L177-N181 PolarHBondContact O-N 3.47Å; L177-N181 PolarHBondContact O-ND2 2.87Å; L177-V189 HydrophobicContact CD1-CB 4.44Å; L177-V189 HydrophobicContact CD1-CG1 4.06Å; L177-T191 HydrophobicContact CD1-CG2 3.87Å; L177-T191 HydrophobicContact CD2-CG2 4.01Å; L177-T191 HydrophobicContact CG-CG2 4.48Å; L177-L218 HydrophobicContact CB-CD1 3.82Å; L177-L218 HydrophobicContact CD1-CD1 3.84Å; L177-L218 HydrophobicContact CG-CD1 4.43Å
178	S	71.9	Confident	67.2	Low	66 Å²	66	32.8 Å²	32.8	46%	0.462	17%	0.17	S	C	.	.	H	α-helix	trans	-66.2	-42.4	178.1	-58.5	0	0	0	0	111.8	N175 W176 R182	N175-S178 PolarHBondContact O-N 3.32Å; W176-S178 VanDerWaalsContact C-N 3.33Å; W176-S178 PolarHBondContact O-N 3.5Å; S178-R182 VanDerWaalsContact O-CB 3.23Å; S178-R182 WeakPolarHBondContact O-CB 3.32Å; S178-R182 PolarHBondContact O-N 3.1Å
179	E	67.9	Low	68.2	Low	23 Å²	23	34.3 Å²	34.3	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-68.4	-41.2	177.8	-61.6	-58.2	155.5	0	0	112	N175 W176 N181 R182 W183	N175-E179 WeakPolarHBondContact ND2-CG 3.48Å; N175-E179 PolarHBondContact ND2-OE1 3.41Å; N175-E179 PolarHBondContact O-N 3.49Å; W176-E179 PolarHBondContact O-N 3.04Å; E179-N181 PolarHBondContact O-N 3.31Å; E179-R182 WeakPolarHBondContact O-CB 3.49Å; E179-R182 PolarHBondContact O-N 3.32Å; E179-R182 VanDerWaalsContact O-N 3.11Å; E179-R182 IonicContact OE2-NH1 3.96Å; E179-R182 PolarHBondContact OE2-NH1 3.34Å; E179-R182 VanDerWaalsContact OE2-NH1 3.14Å; E179-W183 WeakPolarHBondContact O-CB 3.41Å; E179-W183 VanDerWaalsContact O-CD1 3.27Å; E179-W183 PolarHBondContact O-N 3.27Å; E179-W183 PolarHBondContact OE2-NE1 3.4Å
180	L	72.2	Confident	69.6	Low	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-45.3	176.2	-73.9	170.4	0	0	0	111.1	L170 W176 R182 C184 L187 V189 V216 L218	L170-L180 HydrophobicContact CD1-CD1 3.76Å; W176-L180 WeakPolarHBondContact O-CB 3.41Å; W176-L180 VanDerWaalsContact O-CG 3.27Å; W176-L180 WeakPolarHBondContact O-CG 3.38Å; W176-L180 PolarHBondContact O-N 3.33Å; L180-R182 PolarHBondContact O-N 3.4Å; L180-C184 CarbonylContact O-C 3.58Å; L180-C184 VanDerWaalsContact O-CA 3.28Å; L180-C184 WeakPolarHBondContact O-CA 3.39Å; L180-C184 PolarHBondContact O-N 3.45Å; L180-C184 VanDerWaalsContact O-O 3.1Å; L180-L187 HydrophobicContact CD2-CD1 4.37Å; L180-V189 HydrophobicContact CB-CG2 4.29Å; L180-V189 HydrophobicContact CD1-CG1 4.21Å; L180-V189 HydrophobicContact CD1-CG2 4.05Å; L180-V216 HydrophobicContact CD1-CG1 4.09Å; L180-L218 HydrophobicContact CD1-CD1 4.16Å; L180-L218 HydrophobicContact CD1-CD2 4Å; L180-L218 HydrophobicContact CD1-CG 4.27Å
181	N	74.7	Confident	70.8	Confident	82 Å²	82	37.7 Å²	37.7	44%	0.439	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-28.7	175.5	-72.2	-14.9	0	0	0	112.6	L177 E179 P185	L177-N181 WeakPolarHBondContact O-CB 3.21Å; L177-N181 PolarHBondContact O-N 3.47Å; L177-N181 PolarHBondContact O-ND2 2.87Å; E179-N181 PolarHBondContact O-N 3.31Å; N181-P185 WeakPolarHBondContact O-CB 3.47Å
182	R	65.5	Low	72.1	Confident	27 Å²	27	37.7 Å²	37.7	10%	0.102	20%	0.2	C	C	.	.	H	α-helix	trans	-79.9	-52.3	-179.6	179.2	-159.3	179.8	179.8	1.5	112.6	L120 D152 R153 M154 S178 E179 L180	L120-R182 HydrophobicContact CD1-CG 4.23Å; D152-R182 PolarHBondContact O-NH1 3.1Å; R153-R182 VanDerWaalsContact CA-NH1 3.35Å; M154-R182 WeakPolarHBondContact O-CD 3.29Å; M154-R182 WeakPolarHBondContact O-CG 3.41Å; M154-R182 VanDerWaalsContact O-CZ 3.26Å; M154-R182 PolarHBondContact O-NE 3.48Å; S178-R182 VanDerWaalsContact O-CB 3.23Å; S178-R182 WeakPolarHBondContact O-CB 3.32Å; S178-R182 PolarHBondContact O-N 3.1Å; E179-R182 WeakPolarHBondContact O-CB 3.49Å; E179-R182 PolarHBondContact O-N 3.32Å; E179-R182 VanDerWaalsContact O-N 3.11Å; E179-R182 IonicContact OE2-NH1 3.96Å; E179-R182 PolarHBondContact OE2-NH1 3.34Å; E179-R182 VanDerWaalsContact OE2-NH1 3.14Å; L180-R182 PolarHBondContact O-N 3.4Å
183	W	64.2	Low	73	Confident	46 Å²	46	40.2 Å²	40.2	17%	0.174	21%	0.209	C	C	.	.	H	α-helix	trans	-82.7	-38.2	-174.5	-72.7	90.2	0	0	0	111.8	L120 L122 E179	L120-W183 HydrophobicContact CB-CE3 4.04Å; L120-W183 HydrophobicContact CB-CH2 4.05Å; L120-W183 HydrophobicContact CB-CZ3 3.66Å; L120-W183 HydrophobicContact CD1-CD2 3.75Å; L120-W183 HydrophobicContact CD1-CE3 3.8Å; L120-W183 HydrophobicContact CD1-CG 4.21Å; L120-W183 HydrophobicContact CD1-CH2 4.43Å; L120-W183 HydrophobicContact CD1-CZ2 4.39Å; L120-W183 HydrophobicContact CD1-CZ3 4.15Å; L120-W183 HydrophobicContact CG-CZ3 4.41Å; L122-W183 HydrophobicContact CD2-CH2 4.27Å; L122-W183 HydrophobicContact CD2-CZ3 3.92Å; E179-W183 WeakPolarHBondContact O-CB 3.41Å; E179-W183 VanDerWaalsContact O-CD1 3.27Å; E179-W183 PolarHBondContact O-N 3.27Å; E179-W183 PolarHBondContact OE2-NE1 3.4Å
184	C	69	Low	74.2	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.027	21%	0.209	C	C	.	.			trans	-134.7	62.2	-171.3	-62	0	0	0	0	111.3	L180 S186 L187	L180-C184 CarbonylContact O-C 3.58Å; L180-C184 VanDerWaalsContact O-CA 3.28Å; L180-C184 WeakPolarHBondContact O-CA 3.39Å; L180-C184 PolarHBondContact O-N 3.45Å; L180-C184 VanDerWaalsContact O-O 3.1Å; C184-S186 PolarHBondContact O-N 3Å; C184-L187 HydrophobicContact CB-CD1 3.34Å; C184-L187 HydrophobicContact CB-CG 3.72Å; C184-L187 WeakPolarHBondContact O-CB 3.29Å; C184-L187 WeakPolarHBondContact O-CG 3.28Å; C184-L187 PolarHBondContact O-N 3.32Å; C184-L187 VanDerWaalsContact O-N 3.15Å
185	P	72.4	Confident	75.4	Confident	32 Å²	32	36.6 Å²	36.6	21%	0.208	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.8	-178.3	26.4	-36	0	0	0	114.1	K158 N181 L187	K158-P185 WeakPolarHBondContact O-CB 3.4Å; N181-P185 WeakPolarHBondContact O-CB 3.47Å; P185-L187 VanDerWaalsContact C-N 3.25Å; P185-L187 PolarHBondContact O-N 3.26Å
186	S	70	Confident	76.1	Confident	10 Å²	10	38 Å²	38	7%	0.07	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.4	178.6	61.3	0	0	0	0	114.7	F115 C160 C184	F115-S186 WeakPolarHBondContact CB-OG 3.32Å; C160-S186 VanDerWaalsContact O-CA 3.23Å; C160-S186 WeakPolarHBondContact O-CA 3.44Å; C184-S186 PolarHBondContact O-N 3Å
187	L	72	Confident	76.8	Confident	15 Å²	15	44.2 Å²	44.2	8%	0.079	25%	0.253	C	S	.	.	S	Bend	trans	-86.6	132.4	-172.7	-59.3	-178.1	0	0	0	112	L180 C184 P185 V189 D215 V216 R625	L180-L187 HydrophobicContact CD2-CD1 4.37Å; C184-L187 HydrophobicContact CB-CD1 3.34Å; C184-L187 HydrophobicContact CB-CG 3.72Å; C184-L187 WeakPolarHBondContact O-CB 3.29Å; C184-L187 WeakPolarHBondContact O-CG 3.28Å; C184-L187 PolarHBondContact O-N 3.32Å; C184-L187 VanDerWaalsContact O-N 3.15Å; P185-L187 VanDerWaalsContact C-N 3.25Å; P185-L187 PolarHBondContact O-N 3.26Å; L187-V189 HydrophobicContact CB-CG2 4.26Å; L187-V189 PolarHBondContact O-N 3.1Å; L187-D215 HydrophobicContact CD2-CB 4.35Å; L187-V216 HydrophobicContact CD1-CG2 4.46Å; L187-R625 HydrophobicContact CD1-CG 3.22Å; L187-R625 HydrophobicContact CD2-CG 4.46Å; L187-R625 VanDerWaalsContact CD2-CZ 3.41Å; L187-R625 HydrophobicContact CG-CG 4.45Å
188	S	78.9	Confident	77.4	Confident	38 Å²	38	44.7 Å²	44.7	27%	0.266	26%	0.256	S	S	.	.			trans	-78.9	106.3	170	49.9	0	0	0	0	109.7	G213 F214 D215 V216	S188-G213 PolarHBondContact OG-O 2.97Å; S188-F214 VanDerWaalsContact OG-CA 3.23Å; S188-F214 WeakPolarHBondContact OG-CA 3.39Å; S188-D215 PolarHBondContact N-OD2 3.36Å; S188-D215 PolarHBondContact O-N 3.23Å; S188-D215 PolarHBondContact OG-N 3.46Å; S188-D215 PolarHBondContact OG-OD2 2.93Å; S188-V216 PolarHBondContact O-N 3.4Å; S188-V216 VanDerWaalsContact O-N 3.16Å
189	V	80.4	Confident	78.2	Confident	34 Å²	34	43.4 Å²	43.4	21%	0.206	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.5	-178.2	-174.5	0	0	0	0	110.5	L177 L180 L187 V216 L218	L177-V189 HydrophobicContact CD1-CB 4.44Å; L177-V189 HydrophobicContact CD1-CG1 4.06Å; L180-V189 HydrophobicContact CB-CG2 4.29Å; L180-V189 HydrophobicContact CD1-CG1 4.21Å; L180-V189 HydrophobicContact CD1-CG2 4.05Å; L187-V189 HydrophobicContact CB-CG2 4.26Å; L187-V189 PolarHBondContact O-N 3.1Å; V189-V216 CarbonylContact C-O 3.59Å; V189-V216 WeakPolarHBondContact CA-O 3.16Å; V189-V216 HydrophobicContact CG1-CB 4.37Å; V189-V216 HydrophobicContact CG1-CG1 4.4Å; V189-V216 HydrophobicContact CG2-CB 4.25Å; V189-L218 HydrophobicContact CG1-CB 4.35Å; V189-L218 HydrophobicContact CG1-CD1 3.33Å; V189-L218 HydrophobicContact CG1-CG 3.59Å
190	L	84.8	Confident	79.2	Confident	17 Å²	17	45 Å²	45	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.6	171.5	179.5	65.5	0	0	0	110	I202 V206 L211 F214 V216 V217 L218 F233	L190-I202 HydrophobicContact CD1-CG2 4.09Å; L190-I202 HydrophobicContact CD2-CG2 4.31Å; L190-V206 HydrophobicContact CD2-CG2 3.89Å; L190-L211 HydrophobicContact CD1-CD1 4.27Å; L190-F214 HydrophobicContact CB-CB 4.01Å; L190-F214 HydrophobicContact CB-CD2 4.3Å; L190-F214 HydrophobicContact CB-CG 4.03Å; L190-F214 HydrophobicContact CD2-CD1 4.11Å; L190-F214 HydrophobicContact CD2-CD2 4.36Å; L190-F214 HydrophobicContact CD2-CE1 4.1Å; L190-F214 HydrophobicContact CD2-CE2 4.35Å; L190-F214 HydrophobicContact CD2-CG 4.25Å; L190-F214 HydrophobicContact CD2-CZ 4.23Å; L190-V216 PolarHBondContact N-O 2.98Å; L190-V217 HydrophobicContact CB-CG2 4.4Å; L190-V217 HydrophobicContact CD2-CG2 4.28Å; L190-V217 WeakPolarHBondContact O-CA 3.43Å; L190-L218 PolarHBondContact O-N 2.88Å; L190-F233 HydrophobicContact CD2-CZ 4.35Å
191	T	85.5	Confident	80	Confident	58 Å²	58	51 Å²	51	36%	0.356	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.8	175.1	47.2	0	0	0	0	110.7	L177 Y193 L218	L177-T191 HydrophobicContact CD1-CG2 3.87Å; L177-T191 HydrophobicContact CD2-CG2 4.01Å; L177-T191 HydrophobicContact CG-CG2 4.48Å; T191-Y193 PolarHBondContact O-N 2.97Å; T191-L218 HydrophobicContact CG2-CB 4.33Å; T191-L218 HydrophobicContact CG2-CD1 4.06Å
192	Y	85.8	Confident	80.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.266	C	S	.	.			trans	-89.7	80.7	175.6	-166.4	-97.1	0	0	0	110.7	R199 I202 R203 L218 L223 D230 F233 H234	Y192-R199 HydrophobicContact CE1-CG 4.27Å; Y192-R199 HydrophobicContact CE2-CB 4.31Å; Y192-I202 HydrophobicContact CD2-CG2 3.9Å; Y192-I202 HydrophobicContact CE2-CG2 4.29Å; Y192-R203 HydrophobicContact CE2-CG 4.06Å; Y192-R203 PolarHBondContact OH-NH1 3.09Å; Y192-L218 PolarHBondContact N-O 3.49Å; Y192-L223 HydrophobicContact CD1-CB 4.38Å; Y192-L223 HydrophobicContact CD1-CD1 4.38Å; Y192-L223 HydrophobicContact CE1-CB 4.48Å; Y192-L223 WeakPolarHBondContact O-CD1 3.48Å; Y192-D230 HydrophobicContact CE1-CB 4.43Å; Y192-D230 PolarHBondContact OH-OD1 3.36Å; Y192-F233 HydrophobicContact CD2-CD1 4.07Å; Y192-F233 AromaticContact CD2-CE1 3.63Å; Y192-F233 HydrophobicContact CD2-CE1 3.63Å; Y192-F233 HydrophobicContact CD2-CZ 4.28Å; Y192-F233 AromaticContact CE2-CD1 3.72Å; Y192-F233 HydrophobicContact CE2-CD1 3.72Å; Y192-F233 AromaticContact CE2-CE1 3.72Å; Y192-F233 HydrophobicContact CE2-CE1 3.72Å; Y192-F233 HydrophobicContact CE2-CG 4.37Å; Y192-F233 HydrophobicContact CE2-CZ 4.36Å; Y192-F233 HydrophobicContact CG-CE1 4.33Å; Y192-H234 AromaticContact CD1-CE1 3.91Å; Y192-H234 AromaticContact CD1-NE2 3.95Å; Y192-H234 AromaticContact CE1-CE1 3.77Å
193	Y	82.4	Confident	81.6	Confident	65 Å²	65	48 Å²	48	26%	0.255	27%	0.265	S	S	.	.			trans	-137.1	-179.4	-178.2	-72.5	-93.5	0	0	0	110.6	F172 T191 R199 L218 T219 T220 L223	F172-Y193 HydrophobicContact CE1-CE2 4.09Å; F172-Y193 AromaticContact CE1-CZ 3.88Å; F172-Y193 WeakPolarHBondContact CE1-OH 3.34Å; F172-Y193 HydrophobicContact CZ-CE2 4.03Å; F172-Y193 AromaticContact CZ-CZ 3.76Å; F172-Y193 WeakPolarHBondContact CZ-OH 3.33Å; T191-Y193 PolarHBondContact O-N 2.97Å; Y193-R199 WeakPolarHBondContact O-CG 3.35Å; Y193-L218 HydrophobicContact CE2-CB 4.26Å; Y193-L218 WeakPolarHBondContact CE2-O 3.41Å; Y193-T219 PolarHBondContact OH-O 2.87Å; Y193-T220 HydrophobicContact CD1-CG2 4.26Å; Y193-T220 HydrophobicContact CE1-CG2 3.27Å; Y193-T220 WeakPolarHBondContact OH-CG2 3.5Å; Y193-L223 HydrophobicContact CD1-CD1 4.37Å
194	G	81.1	Confident	82.7	Confident	41 Å²	41	50.4 Å²	50.4	42%	0.423	28%	0.281	S	S	.	.	S	Bend	trans	103.6	-176.6	176.3	0	0	0	0	0	113.3	D198 R199	G194-D198 WeakPolarHBondContact CA-OD2 3.4Å; G194-R199 PolarHBondContact O-NH1 3.3Å
195	N	85.1	Confident	83.5	Confident	81 Å²	81	51.1 Å²	51.1	43%	0.433	28%	0.284	S	S	.	.	S	Bend	trans	-71.3	-177.4	176.7	67.8	39.4	0	0	0	110.6	E197 D198 R199	N195-E197 VanDerWaalsContact C-N 3.27Å; N195-E197 PolarHBondContact O-N 3.39Å; N195-E197 WeakPolarHBondContact OD1-CA 3.38Å; N195-E197 WeakPolarHBondContact OD1-CB 3.29Å; N195-E197 PolarHBondContact OD1-N 3.39Å; N195-D198 PolarHBondContact N-OD2 3.24Å; N195-D198 PolarHBondContact ND2-OD2 3.46Å; N195-D198 VanDerWaalsContact OD1-CG 3.3Å; N195-D198 PolarHBondContact OD1-N 3.24Å; N195-D198 PolarHBondContact OD1-OD2 3.24Å; N195-R199 VanDerWaalsContact O-CG 3.3Å; N195-R199 WeakPolarHBondContact O-CG 3.45Å; N195-R199 PolarHBondContact O-N 2.97Å; N195-R199 PolarHBondContact O-NH1 3.32Å
196	A	86.1	Confident	84.1	Confident	63 Å²	63	50.8 Å²	50.8	52%	0.521	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-31.6	-178.2	0	0	0	0	0	113.4	S200	A196-S200 PolarHBondContact O-N 3.33Å; A196-S200 VanDerWaalsContact O-N 3.07Å
197	E	87.3	Confident	84.7	Confident	155 Å²	155	55.1 Å²	55.1	72%	0.724	30%	0.304	S	S	*	.	H	α-helix	trans	-73.5	-48.1	-179.3	-59.9	177	179.4	0	0	110.8	N195 R199 S200 F201	N195-E197 VanDerWaalsContact C-N 3.27Å; N195-E197 PolarHBondContact O-N 3.39Å; N195-E197 WeakPolarHBondContact OD1-CA 3.38Å; N195-E197 WeakPolarHBondContact OD1-CB 3.29Å; N195-E197 PolarHBondContact OD1-N 3.39Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 3.4Å; E197-S200 WeakPolarHBondContact O-CA 3.33Å; E197-S200 VanDerWaalsContact O-CB 3.29Å; E197-S200 WeakPolarHBondContact O-CB 3.42Å; E197-S200 PolarHBondContact O-N 3.45Å; E197-F201 PolarHBondContact O-N 3.2Å
198	D	88.2	Confident	85.2	Confident	76 Å²	76	57.3 Å²	57.3	41%	0.406	32%	0.32	S	S	.	.	H	α-helix	trans	-54.3	-46	175.4	-57.8	-33.1	0	0	0	110.5	G194 N195 S200 F201 I202	G194-D198 WeakPolarHBondContact CA-OD2 3.4Å; N195-D198 PolarHBondContact N-OD2 3.24Å; N195-D198 PolarHBondContact ND2-OD2 3.46Å; N195-D198 VanDerWaalsContact OD1-CG 3.3Å; N195-D198 PolarHBondContact OD1-N 3.24Å; N195-D198 PolarHBondContact OD1-OD2 3.24Å; D198-S200 VanDerWaalsContact C-N 3.3Å; D198-S200 PolarHBondContact O-N 3.39Å; D198-F201 WeakPolarHBondContact O-CB 3.46Å; D198-F201 PolarHBondContact O-N 3.23Å; D198-I202 WeakPolarHBondContact O-CG1 3.48Å; D198-I202 PolarHBondContact O-N 3.13Å
199	R	89	Confident	85.1	Confident	39 Å²	39	57.2 Å²	57.2	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-32.9	178.1	-64.5	-169.5	-46.7	-94.6	3	112	Y192 Y193 G194 N195 E197 R203 D230	Y192-R199 HydrophobicContact CE1-CG 4.27Å; Y192-R199 HydrophobicContact CE2-CB 4.31Å; Y193-R199 WeakPolarHBondContact O-CG 3.35Å; G194-R199 PolarHBondContact O-NH1 3.3Å; N195-R199 VanDerWaalsContact O-CG 3.3Å; N195-R199 WeakPolarHBondContact O-CG 3.45Å; N195-R199 PolarHBondContact O-N 2.97Å; N195-R199 PolarHBondContact O-NH1 3.32Å; E197-R199 VanDerWaalsContact C-N 3.26Å; E197-R199 PolarHBondContact O-N 3.4Å; R199-R203 VanDerWaalsContact O-CG 3.28Å; R199-R203 WeakPolarHBondContact O-CG 3.23Å; R199-R203 PolarHBondContact O-N 3.02Å; R199-R203 PolarHBondContact O-NH1 3.48Å; R199-D230 IonicContact NE-OD1 2.75Å; R199-D230 PolarHBondContact NE-OD1 2.9Å; R199-D230 IonicContact NH2-OD2 3.29Å
200	S	88.5	Confident	84.7	Confident	58 Å²	58	63.8 Å²	63.8	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-41.1	174.1	-162	0	0	0	0	111.6	A196 E197 D198 R203 L204	A196-S200 PolarHBondContact O-N 3.33Å; A196-S200 VanDerWaalsContact O-N 3.07Å; E197-S200 WeakPolarHBondContact O-CA 3.33Å; E197-S200 VanDerWaalsContact O-CB 3.29Å; E197-S200 WeakPolarHBondContact O-CB 3.42Å; E197-S200 PolarHBondContact O-N 3.45Å; D198-S200 VanDerWaalsContact C-N 3.3Å; D198-S200 PolarHBondContact O-N 3.39Å; S200-R203 PolarHBondContact O-N 3.37Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 PolarHBondContact O-N 3.39Å
201	F	88.8	Confident	83.9	Confident	130 Å²	130	66.3 Å²	66.3	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-62.7	-48.4	174.4	-174	-97.7	0	0	0	111.3	E197 D198 R203 L204 E205	E197-F201 PolarHBondContact O-N 3.2Å; D198-F201 WeakPolarHBondContact O-CB 3.46Å; D198-F201 PolarHBondContact O-N 3.23Å; F201-R203 VanDerWaalsContact C-N 3.3Å; F201-R203 PolarHBondContact O-N 2.81Å; F201-L204 PolarHBondContact O-N 3.02Å; F201-L204 VanDerWaalsContact O-N 3.09Å; F201-E205 HydrophobicContact CD1-CG 3.92Å; F201-E205 HydrophobicContact CE1-CG 3.51Å; F201-E205 HydrophobicContact CE2-CG 4.2Å; F201-E205 HydrophobicContact CG-CG 4.42Å; F201-E205 HydrophobicContact CZ-CG 3.66Å; F201-E205 WeakPolarHBondContact O-CG 3.26Å; F201-E205 PolarHBondContact O-N 2.9Å
202	I	87	Confident	83.1	Confident	25 Å²	25	67.8 Å²	67.8	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-55.6	-45.6	176.3	-66.7	164.1	0	0	0	111.2	L190 Y192 D198 L204 E205 V206	L190-I202 HydrophobicContact CD1-CG2 4.09Å; L190-I202 HydrophobicContact CD2-CG2 4.31Å; Y192-I202 HydrophobicContact CD2-CG2 3.9Å; Y192-I202 HydrophobicContact CE2-CG2 4.29Å; D198-I202 WeakPolarHBondContact O-CG1 3.48Å; D198-I202 PolarHBondContact O-N 3.13Å; I202-L204 PolarHBondContact O-N 3.41Å; I202-E205 PolarHBondContact O-N 3.47Å; I202-V206 HydrophobicContact CG2-CG2 4.49Å; I202-V206 WeakPolarHBondContact O-CG2 3.04Å; I202-V206 PolarHBondContact O-N 2.93Å
203	R	88.2	Confident	82.4	Confident	20 Å²	20	69.4 Å²	69.4	8%	0.075	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-44.4	177.5	-72.5	-175.6	-60.5	-94.3	3.9	111.8	Y192 R199 S200 F201 V206 D207 D230 F233	Y192-R203 HydrophobicContact CE2-CG 4.06Å; Y192-R203 PolarHBondContact OH-NH1 3.09Å; R199-R203 VanDerWaalsContact O-CG 3.28Å; R199-R203 WeakPolarHBondContact O-CG 3.23Å; R199-R203 PolarHBondContact O-N 3.02Å; R199-R203 PolarHBondContact O-NH1 3.48Å; S200-R203 PolarHBondContact O-N 3.37Å; F201-R203 VanDerWaalsContact C-N 3.3Å; F201-R203 PolarHBondContact O-N 2.81Å; R203-V206 PolarHBondContact O-N 3.07Å; R203-D207 VanDerWaalsContact O-CB 3.3Å; R203-D207 WeakPolarHBondContact O-CB 3.33Å; R203-D207 VanDerWaalsContact O-CG 3.28Å; R203-D207 PolarHBondContact O-N 2.78Å; R203-D230 IonicContact NH1-OD1 3.68Å; R203-D230 PolarHBondContact NH1-OD1 3.41Å; R203-D230 VanDerWaalsContact NH1-OD1 3.14Å; R203-F233 HydrophobicContact CB-CD2 4.43Å; R203-F233 HydrophobicContact CG-CB 4.11Å; R203-F233 HydrophobicContact CG-CD2 3.76Å; R203-F233 HydrophobicContact CG-CE2 4.33Å; R203-F233 HydrophobicContact CG-CG 3.94Å
204	L	86.6	Confident	82.1	Confident	98 Å²	98	67.6 Å²	67.6	51%	0.513	38%	0.382	S	S	.	.	H	α-helix	trans	-66.3	-39	-179.9	-171.3	127.1	0	0	0	112.2	S200 F201 I202 S208	S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 PolarHBondContact O-N 3.39Å; F201-L204 PolarHBondContact O-N 3.02Å; F201-L204 VanDerWaalsContact O-N 3.09Å; I202-L204 PolarHBondContact O-N 3.41Å; L204-S208 WeakPolarHBondContact O-CB 3.4Å; L204-S208 PolarHBondContact O-N 2.74Å; L204-S208 PolarHBondContact O-OG 3Å
205	E	86.3	Confident	81.9	Confident	18 Å²	18	65.7 Å²	65.7	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-69.4	-34.6	176.9	-68.1	-58	120.7	0	0	112.5	F201 I202 S208 G209 R210 L211	F201-E205 HydrophobicContact CD1-CG 3.92Å; F201-E205 HydrophobicContact CE1-CG 3.51Å; F201-E205 HydrophobicContact CE2-CG 4.2Å; F201-E205 HydrophobicContact CG-CG 4.42Å; F201-E205 HydrophobicContact CZ-CG 3.66Å; F201-E205 WeakPolarHBondContact O-CG 3.26Å; F201-E205 PolarHBondContact O-N 2.9Å; I202-E205 PolarHBondContact O-N 3.47Å; E205-S208 WeakPolarHBondContact CA-OG 3.4Å; E205-S208 PolarHBondContact O-OG 3.27Å; E205-S208 VanDerWaalsContact O-OG 3.13Å; E205-G209 PolarHBondContact O-N 2.56Å; E205-R210 PolarHBondContact O-N 2.55Å; E205-R210 VanDerWaalsContact O-N 3.07Å; E205-R210 IonicContact OE1-CZ 2.97Å; E205-R210 IonicContact OE1-NH1 3.92Å; E205-R210 PolarHBondContact OE1-NH1 2.86Å; E205-R210 WeakPolarHBondContact OE2-CB 3.12Å; E205-R210 WeakPolarHBondContact OE2-CD 3.43Å; E205-R210 IonicContact OE2-CZ 3.91Å; E205-R210 IonicContact OE2-NE 3.42Å; E205-R210 IonicContact OE2-NH1 3.14Å; E205-R210 PolarHBondContact OE2-NH1 3.19Å; E205-L211 HydrophobicContact CB-CB 4.25Å; E205-L211 HydrophobicContact CB-CD1 3.46Å; E205-L211 VanDerWaalsContact CB-CD1 3.46Å; E205-L211 HydrophobicContact CB-CG 3.72Å; E205-L211 HydrophobicContact CG-CD1 4.31Å; E205-L211 PolarHBondContact O-N 2.82Å
206	V	84.8	Confident	81.6	Confident	26 Å²	26	61.8 Å²	61.8	16%	0.158	34%	0.342	C	S	.	.	H	α-helix	trans	-71.3	-47.4	172.7	173.6	0	0	0	0	110.9	L190 I202 R203 S208 G209 L211 F214 F233	L190-V206 HydrophobicContact CD2-CG2 3.89Å; I202-V206 HydrophobicContact CG2-CG2 4.49Å; I202-V206 WeakPolarHBondContact O-CG2 3.04Å; I202-V206 PolarHBondContact O-N 2.93Å; R203-V206 PolarHBondContact O-N 3.07Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 3.04Å; V206-G209 PolarHBondContact O-N 3.12Å; V206-L211 HydrophobicContact CG2-CB 3.87Å; V206-L211 HydrophobicContact CG2-CD1 4.46Å; V206-F214 HydrophobicContact CG1-CE1 3.95Å; V206-F214 HydrophobicContact CG1-CZ 4.15Å; V206-F214 HydrophobicContact CG2-CE1 4.03Å; V206-F233 HydrophobicContact CB-CE2 3.98Å; V206-F233 HydrophobicContact CG1-CE2 3.88Å; V206-F233 HydrophobicContact CG1-CZ 4.49Å; V206-F233 HydrophobicContact CG2-CE2 4.15Å; V206-F233 HydrophobicContact CG2-CZ 4.27Å
207	D	82.1	Confident	81.6	Confident	101 Å²	101	58.8 Å²	58.8	54%	0.54	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-30.9	-179.8	-73.7	-16.5	0	0	0	111.4	R203 G209 R236	R203-D207 VanDerWaalsContact O-CB 3.3Å; R203-D207 WeakPolarHBondContact O-CB 3.33Å; R203-D207 VanDerWaalsContact O-CG 3.28Å; R203-D207 PolarHBondContact O-N 2.78Å; D207-G209 VanDerWaalsContact C-N 3.27Å; D207-G209 PolarHBondContact O-N 3.14Å; D207-R236 IonicContact OD1-CZ 2.82Å; D207-R236 IonicContact OD1-NH2 2.91Å; D207-R236 PolarHBondContact OD1-NH2 3.04Å; D207-R236 IonicContact OD2-NH2 2.9Å; D207-R236 PolarHBondContact OD2-NH2 3.35Å
208	S	81.8	Confident	81.4	Confident	61 Å²	61	51.4 Å²	51.4	43%	0.427	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.7	173.7	62.6	0	0	0	0	114.3	L204 E205 V206 R210	L204-S208 WeakPolarHBondContact O-CB 3.4Å; L204-S208 PolarHBondContact O-N 2.74Å; L204-S208 PolarHBondContact O-OG 3Å; E205-S208 WeakPolarHBondContact CA-OG 3.4Å; E205-S208 PolarHBondContact O-OG 3.27Å; E205-S208 VanDerWaalsContact O-OG 3.13Å; V206-S208 VanDerWaalsContact C-N 3.27Å; V206-S208 PolarHBondContact O-N 3.04Å; S208-R210 PolarHBondContact O-N 2.6Å
209	G	77.9	Confident	81.3	Confident	36 Å²	36	47.8 Å²	47.8	37%	0.371	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	-1.6	-179.4	0	0	0	0	0	115.1	E205 V206 D207 L211 S212	E205-G209 PolarHBondContact O-N 2.56Å; V206-G209 PolarHBondContact O-N 3.12Å; D207-G209 VanDerWaalsContact C-N 3.27Å; D207-G209 PolarHBondContact O-N 3.14Å; G209-L211 VanDerWaalsContact C-N 3.32Å; G209-S212 VanDerWaalsContact O-CB 3.29Å; G209-S212 WeakPolarHBondContact O-CB 3.39Å; G209-S212 PolarHBondContact O-N 3.15Å; G209-S212 PolarHBondContact O-OG 2.7Å
210	R	71.2	Confident	81.1	Confident	172 Å²	172	47.3 Å²	47.3	65%	0.649	26%	0.264	S	S	*	.	S	Bend	trans	-65.6	-37.1	176.1	-65.5	-160.8	-137	136.5	1	111.9	E205 S208	E205-R210 PolarHBondContact O-N 2.55Å; E205-R210 VanDerWaalsContact O-N 3.07Å; E205-R210 IonicContact OE1-CZ 2.97Å; E205-R210 IonicContact OE1-NH1 3.92Å; E205-R210 PolarHBondContact OE1-NH1 2.86Å; E205-R210 WeakPolarHBondContact OE2-CB 3.12Å; E205-R210 WeakPolarHBondContact OE2-CD 3.43Å; E205-R210 IonicContact OE2-CZ 3.91Å; E205-R210 IonicContact OE2-NE 3.42Å; E205-R210 IonicContact OE2-NH1 3.14Å; E205-R210 PolarHBondContact OE2-NH1 3.19Å; S208-R210 PolarHBondContact O-N 2.6Å
211	L	69.4	Low	80.9	Confident	70 Å²	70	45.4 Å²	45.4	37%	0.366	25%	0.249	S	C	.	.	S	Bend	trans	-100.7	75.8	167.3	-68.8	175.9	0	0	0	109.4	L190 E205 V206 G209 F214	L190-L211 HydrophobicContact CD1-CD1 4.27Å; E205-L211 HydrophobicContact CB-CB 4.25Å; E205-L211 HydrophobicContact CB-CD1 3.46Å; E205-L211 VanDerWaalsContact CB-CD1 3.46Å; E205-L211 HydrophobicContact CB-CG 3.72Å; E205-L211 HydrophobicContact CG-CD1 4.31Å; E205-L211 PolarHBondContact O-N 2.82Å; V206-L211 HydrophobicContact CG2-CB 3.87Å; V206-L211 HydrophobicContact CG2-CD1 4.46Å; G209-L211 VanDerWaalsContact C-N 3.32Å; L211-F214 WeakPolarHBondContact O-CE1 3.11Å
212	S	68.3	Low	80.7	Confident	88 Å²	88	45.7 Å²	45.7	62%	0.615	25%	0.251	S	S	*	.			trans	-114.4	154.2	173.2	55.9	0	0	0	0	111.1	G209	G209-S212 VanDerWaalsContact O-CB 3.29Å; G209-S212 WeakPolarHBondContact O-CB 3.39Å; G209-S212 PolarHBondContact O-N 3.15Å; G209-S212 PolarHBondContact O-OG 2.7Å
213	G	70.7	Confident	80.6	Confident	34 Å²	34	45.7 Å²	45.7	35%	0.351	25%	0.252	S	S	.	.			trans	79.6	28.9	177.9	0	0	0	0	0	115.2	S188	S188-G213 PolarHBondContact OG-O 2.97Å
214	F	76.5	Confident	80.5	Confident	28 Å²	28	44.9 Å²	44.9	12%	0.123	25%	0.249	C	C	.	.			trans	-78	133.4	166.9	52.5	-91.4	0	0	0	110.8	P167 S188 L190 V206 L211 V217 L237	P167-F214 HydrophobicContact CB-CD2 3.69Å; P167-F214 HydrophobicContact CB-CE2 3.48Å; P167-F214 VanDerWaalsContact CB-CE2 3.48Å; P167-F214 HydrophobicContact CG-CD2 4.45Å; P167-F214 HydrophobicContact CG-CE2 3.81Å; S188-F214 VanDerWaalsContact OG-CA 3.23Å; S188-F214 WeakPolarHBondContact OG-CA 3.39Å; L190-F214 HydrophobicContact CB-CB 4.01Å; L190-F214 HydrophobicContact CB-CD2 4.3Å; L190-F214 HydrophobicContact CB-CG 4.03Å; L190-F214 HydrophobicContact CD2-CD1 4.11Å; L190-F214 HydrophobicContact CD2-CD2 4.36Å; L190-F214 HydrophobicContact CD2-CE1 4.1Å; L190-F214 HydrophobicContact CD2-CE2 4.35Å; L190-F214 HydrophobicContact CD2-CG 4.25Å; L190-F214 HydrophobicContact CD2-CZ 4.23Å; V206-F214 HydrophobicContact CG1-CE1 3.95Å; V206-F214 HydrophobicContact CG1-CZ 4.15Å; V206-F214 HydrophobicContact CG2-CE1 4.03Å; L211-F214 WeakPolarHBondContact O-CE1 3.11Å; F214-V217 HydrophobicContact CD2-CG2 3.41Å; F214-V217 VanDerWaalsContact CD2-CG2 3.41Å; F214-V217 HydrophobicContact CE2-CG2 3.26Å; F214-V217 HydrophobicContact CZ-CG2 4.33Å; F214-L237 HydrophobicContact CE2-CD2 3.93Å; F214-L237 HydrophobicContact CZ-CD2 3.69Å
215	D	76.2	Confident	80.4	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-83.3	-31.4	178	-64.8	-48.2	0	0	0	112.2	S164 P167 I168 L187 S188 R625	S164-D215 WeakPolarHBondContact CA-OD1 3.32Å; S164-D215 WeakPolarHBondContact CB-OD1 3.4Å; S164-D215 PolarHBondContact N-OD1 3.19Å; S164-D215 PolarHBondContact OG-OD1 2.97Å; P167-D215 CarbonylContact C-O 3.55Å; P167-D215 WeakPolarHBondContact CA-O 3.24Å; I168-D215 PolarHBondContact N-O 3Å; L187-D215 HydrophobicContact CD2-CB 4.35Å; S188-D215 PolarHBondContact N-OD2 3.36Å; S188-D215 PolarHBondContact O-N 3.23Å; S188-D215 PolarHBondContact OG-N 3.46Å; S188-D215 PolarHBondContact OG-OD2 2.93Å; D215-R625 IonicContact OD1-NH2 3.14Å; D215-R625 IonicContact OD2-NH2 2.86Å
216	V	79	Confident	80.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.5	-172.3	-177.4	0	0	0	0	110.2	I168 L170 L180 L187 S188 V189 L190 L218	I168-V216 HydrophobicContact CB-CG2 4.39Å; I168-V216 CarbonylContact O-C 3.58Å; I168-V216 WeakPolarHBondContact O-CA 3.4Å; L170-V216 HydrophobicContact CD1-CG1 3.56Å; L170-V216 HydrophobicContact CG-CG1 3.84Å; L180-V216 HydrophobicContact CD1-CG1 4.09Å; L187-V216 HydrophobicContact CD1-CG2 4.46Å; S188-V216 PolarHBondContact O-N 3.4Å; S188-V216 VanDerWaalsContact O-N 3.16Å; V189-V216 CarbonylContact C-O 3.59Å; V189-V216 WeakPolarHBondContact CA-O 3.16Å; V189-V216 HydrophobicContact CG1-CB 4.37Å; V189-V216 HydrophobicContact CG1-CG1 4.4Å; V189-V216 HydrophobicContact CG2-CB 4.25Å; L190-V216 PolarHBondContact N-O 2.98Å; V216-L218 HydrophobicContact CG1-CG 4.43Å
217	V	85.2	Confident	80.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.1	169.5	-178.4	0	0	0	0	108.9	P167 I168 L169 L170 L190 F214 L237	P167-V217 HydrophobicContact CB-CG2 4.03Å; I168-V217 PolarHBondContact O-N 2.89Å; L169-V217 HydrophobicContact CD1-CB 3.82Å; L169-V217 HydrophobicContact CD1-CG1 3.71Å; L170-V217 PolarHBondContact N-O 2.89Å; L190-V217 HydrophobicContact CB-CG2 4.4Å; L190-V217 HydrophobicContact CD2-CG2 4.28Å; L190-V217 WeakPolarHBondContact O-CA 3.43Å; F214-V217 HydrophobicContact CD2-CG2 3.41Å; F214-V217 VanDerWaalsContact CD2-CG2 3.41Å; F214-V217 HydrophobicContact CE2-CG2 3.26Å; F214-V217 HydrophobicContact CZ-CG2 4.33Å; V217-L237 HydrophobicContact CB-CD1 4.43Å; V217-L237 HydrophobicContact CG1-CD1 4.28Å; V217-L237 HydrophobicContact CG2-CD1 4.04Å
218	L	84.3	Confident	80.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.4	175.8	-81	-179	0	0	0	109.4	L170 F172 W176 L177 L180 V189 L190 T191 Y192 Y193 V216	L170-L218 HydrophobicContact CB-CD2 3.67Å; L170-L218 HydrophobicContact CD1-CD2 3.67Å; L170-L218 HydrophobicContact CG-CD2 4.27Å; F172-L218 HydrophobicContact CD1-CD2 3.65Å; F172-L218 HydrophobicContact CE1-CB 3.61Å; F172-L218 HydrophobicContact CE1-CD1 4.22Å; F172-L218 HydrophobicContact CE1-CD2 3.22Å; F172-L218 HydrophobicContact CE1-CG 3.85Å; F172-L218 HydrophobicContact CZ-CB 4.21Å; F172-L218 HydrophobicContact CZ-CD1 4.19Å; F172-L218 HydrophobicContact CZ-CD2 3.87Å; F172-L218 HydrophobicContact CZ-CG 4.33Å; W176-L218 HydrophobicContact CB-CD2 3.77Å; L177-L218 HydrophobicContact CB-CD1 3.82Å; L177-L218 HydrophobicContact CD1-CD1 3.84Å; L177-L218 HydrophobicContact CG-CD1 4.43Å; L180-L218 HydrophobicContact CD1-CD1 4.16Å; L180-L218 HydrophobicContact CD1-CD2 4Å; L180-L218 HydrophobicContact CD1-CG 4.27Å; V189-L218 HydrophobicContact CG1-CB 4.35Å; V189-L218 HydrophobicContact CG1-CD1 3.33Å; V189-L218 HydrophobicContact CG1-CG 3.59Å; L190-L218 PolarHBondContact O-N 2.88Å; T191-L218 HydrophobicContact CG2-CB 4.33Å; T191-L218 HydrophobicContact CG2-CD1 4.06Å; Y192-L218 PolarHBondContact N-O 3.49Å; Y193-L218 HydrophobicContact CE2-CB 4.26Å; Y193-L218 WeakPolarHBondContact CE2-O 3.41Å; V216-L218 HydrophobicContact CG1-CG 4.43Å
219	T	86.1	Confident	80.7	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	171.5	179.2	-175.6	0	0	0	0	111.1	L169 L170 L171 F172 Y193 H234	L169-T219 HydrophobicContact CD1-CG2 3.44Å; L169-T219 VanDerWaalsContact CD1-CG2 3.44Å; L169-T219 HydrophobicContact CD2-CG2 4.37Å; L169-T219 HydrophobicContact CG-CG2 3.97Å; L170-T219 PolarHBondContact O-N 2.86Å; L170-T219 VanDerWaalsContact O-O 3.09Å; L171-T219 WeakPolarHBondContact CA-O 3.41Å; L171-T219 HydrophobicContact CD2-CG2 3.5Å; L171-T219 VanDerWaalsContact CD2-CG2 3.5Å; L171-T219 HydrophobicContact CG-CG2 4.09Å; F172-T219 PolarHBondContact N-O 2.97Å; Y193-T219 PolarHBondContact OH-O 2.87Å; T219-H234 PolarHBondContact OG1-NE2 3.25Å
220	T	84.5	Confident	81.2	Confident	29 Å²	29	42.3 Å²	42.3	18%	0.178	24%	0.236	C	C	.	.			trans	-106.7	157.7	175.7	66.2	0	0	0	0	111.8	L171 Y193 Q222 L223 A224	L171-T220 VanDerWaalsContact CD2-C 3.42Å; L171-T220 WeakPolarHBondContact CD2-O 3.48Å; Y193-T220 HydrophobicContact CD1-CG2 4.26Å; Y193-T220 HydrophobicContact CE1-CG2 3.27Å; Y193-T220 WeakPolarHBondContact OH-CG2 3.5Å; T220-Q222 PolarHBondContact O-N 3.47Å; T220-Q222 VanDerWaalsContact O-N 3.13Å; T220-L223 PolarHBondContact O-N 3.41Å; T220-L223 VanDerWaalsContact O-N 3.1Å; T220-L223 WeakPolarHBondContact OG1-CG 3.49Å; T220-L223 PolarHBondContact OG1-N 3.5Å; T220-A224 PolarHBondContact O-N 3.15Å
221	Y	84.4	Confident	81.9	Confident	18 Å²	18	37.1 Å²	37.1	7%	0.071	22%	0.217	C	C	.	.	H	α-helix	trans	-50.8	-37.1	172	-76.2	-84.6	0	0	0	113.4	L171 V225 F244 D245 M249 L250 L261	L171-Y221 HydrophobicContact CB-CE2 4.3Å; Y221-V225 WeakPolarHBondContact O-CB 3.34Å; Y221-V225 WeakPolarHBondContact O-CG2 3.28Å; Y221-V225 PolarHBondContact O-N 3.2Å; Y221-F244 AromaticContact CE1-CD1 3.99Å; Y221-F244 HydrophobicContact CE1-CD1 3.99Å; Y221-F244 WeakPolarHBondContact OH-CB 3.46Å; Y221-D245 WeakPolarHBondContact CE2-O 3.47Å; Y221-D245 PolarHBondContact OH-O 3.43Å; Y221-M249 HydrophobicContact CE1-CB 4.3Å; Y221-L250 HydrophobicContact CE1-CD2 4.19Å; Y221-L250 HydrophobicContact CE1-CG 4.28Å; Y221-L261 HydrophobicContact CD1-CD1 3.78Å; Y221-L261 HydrophobicContact CE1-CD1 4.1Å
222	Q	84	Confident	82.7	Confident	135 Å²	135	35.6 Å²	35.6	63%	0.631	22%	0.215	S	C	*	.	H	α-helix	trans	-71.6	-40.6	-178.8	-171.1	66.5	3.9	0	0	111.8	T220 V225 G226	T220-Q222 PolarHBondContact O-N 3.47Å; T220-Q222 VanDerWaalsContact O-N 3.13Å; Q222-V225 PolarHBondContact O-N 3.2Å; Q222-G226 VanDerWaalsContact O-CA 3.29Å; Q222-G226 WeakPolarHBondContact O-CA 3.4Å; Q222-G226 PolarHBondContact O-N 3.24Å
223	L	85.8	Confident	83.6	Confident	25 Å²	25	31.5 Å²	31.5	13%	0.131	19%	0.186	C	C	.	.	H	α-helix	trans	-72.3	-40.6	-180	-67.6	176.8	0	0	0	111.8	Y192 Y193 T220 V225 G226 D230	Y192-L223 HydrophobicContact CD1-CB 4.38Å; Y192-L223 HydrophobicContact CD1-CD1 4.38Å; Y192-L223 HydrophobicContact CE1-CB 4.48Å; Y192-L223 WeakPolarHBondContact O-CD1 3.48Å; Y193-L223 HydrophobicContact CD1-CD1 4.37Å; T220-L223 PolarHBondContact O-N 3.41Å; T220-L223 VanDerWaalsContact O-N 3.1Å; T220-L223 WeakPolarHBondContact OG1-CG 3.49Å; T220-L223 PolarHBondContact OG1-N 3.5Å; L223-V225 PolarHBondContact O-N 3.25Å; L223-G226 PolarHBondContact O-N 3.49Å; L223-G226 VanDerWaalsContact O-N 3.15Å; L223-D230 WeakPolarHBondContact O-CB 3.18Å
224	A	85	Confident	84.3	Confident	3 Å²	3	29.9 Å²	29.9	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-26.8	175.9	0	0	0	0	0	113.4	L171 T220 R231 L261	L171-A224 HydrophobicContact CD2-CB 3.6Å; T220-A224 PolarHBondContact O-N 3.15Å; A224-R231 WeakPolarHBondContact O-CG 3.48Å; A224-L261 HydrophobicContact CB-CD2 3.81Å
225	V	84.8	Confident	84.8	Confident	16 Å²	16	32 Å²	32	10%	0.097	18%	0.178	C	C	.	.	H	α-helix	trans	-99.7	-6.1	179.7	177.1	0	0	0	0	112.7	Y221 Q222 L223 R231 R257 K260 L261	Y221-V225 WeakPolarHBondContact O-CB 3.34Å; Y221-V225 WeakPolarHBondContact O-CG2 3.28Å; Y221-V225 PolarHBondContact O-N 3.2Å; Q222-V225 PolarHBondContact O-N 3.2Å; L223-V225 PolarHBondContact O-N 3.25Å; V225-R231 PolarHBondContact O-NH1 3.44Å; V225-R257 HydrophobicContact CG1-CB 4.49Å; V225-R257 HydrophobicContact CG2-CB 4.47Å; V225-R257 HydrophobicContact CG2-CG 3.93Å; V225-K260 HydrophobicContact CB-CD 4.4Å; V225-K260 HydrophobicContact CG1-CB 4.16Å; V225-K260 HydrophobicContact CG1-CD 3.4Å; V225-K260 HydrophobicContact CG1-CG 4.42Å; V225-K260 HydrophobicContact CG2-CB 4.27Å; V225-K260 PolarHBondContact O-NZ 2.85Å; V225-K260 VanDerWaalsContact O-NZ 3.09Å; V225-L261 HydrophobicContact CG2-CD1 4.18Å; V225-L261 HydrophobicContact CG2-CD2 3.8Å; V225-L261 HydrophobicContact CG2-CG 3.68Å
226	G	82.3	Confident	85.1	Confident	29 Å²	29	39.1 Å²	39.1	30%	0.299	21%	0.205	S	C	.	.	S	Bend	trans	-63.6	-122.8	-165.1	0	0	0	0	0	115.5	Q222 L223 R231	Q222-G226 VanDerWaalsContact O-CA 3.29Å; Q222-G226 WeakPolarHBondContact O-CA 3.4Å; Q222-G226 PolarHBondContact O-N 3.24Å; L223-G226 PolarHBondContact O-N 3.49Å; L223-G226 VanDerWaalsContact O-N 3.15Å; G226-R231 PolarHBondContact O-NH1 2.96Å
227	S	85.4	Confident	85.2	Confident	47 Å²	47	40.1 Å²	40.1	33%	0.329	21%	0.21	S	C	.	.			trans	-70	167	-178.3	70.6	0	0	0	0	111.8	Q229 D230 R231	S227-Q229 PolarHBondContact O-N 2.91Å; S227-Q229 PolarHBondContact OG-N 3.04Å; S227-D230 WeakPolarHBondContact CB-OD2 3.49Å; S227-D230 PolarHBondContact N-OD2 2.96Å; S227-D230 PolarHBondContact O-N 3.24Å; S227-D230 PolarHBondContact OG-N 2.97Å; S227-D230 VanDerWaalsContact OG-N 3.12Å; S227-D230 PolarHBondContact OG-OD2 3.45Å; S227-R231 PolarHBondContact O-N 3.38Å; S227-R231 VanDerWaalsContact O-N 3.13Å; S227-R231 PolarHBondContact O-NH1 2.92Å
228	S	86.4	Confident	84.8	Confident	81 Å²	81	42.1 Å²	42.1	57%	0.566	23%	0.231	S	C	*	.	H	α-helix	trans	-58.3	-37.8	171.5	48.8	0	0	0	0	111.9	R231 A232	S228-R231 PolarHBondContact O-N 3.11Å; S228-A232 WeakPolarHBondContact O-CB 3.03Å; S228-A232 PolarHBondContact O-N 2.88Å
229	Q	87.4	Confident	84.5	Confident	112 Å²	112	42.4 Å²	42.4	52%	0.523	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-45.2	178	-63.3	178.5	-6.1	0	0	111.9	S227 R231 A232 F233	S227-Q229 PolarHBondContact O-N 2.91Å; S227-Q229 PolarHBondContact OG-N 3.04Å; Q229-R231 VanDerWaalsContact C-N 3.33Å; Q229-R231 PolarHBondContact O-N 3.25Å; Q229-A232 PolarHBondContact O-N 3.39Å; Q229-F233 PolarHBondContact O-N 3.04Å
230	D	88	Confident	84.2	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.011	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-45.5	176.6	-58.3	-54.6	0	0	0	110.1	Y192 R199 R203 L223 S227 A232 F233 H234	Y192-D230 HydrophobicContact CE1-CB 4.43Å; Y192-D230 PolarHBondContact OH-OD1 3.36Å; R199-D230 IonicContact NE-OD1 2.75Å; R199-D230 PolarHBondContact NE-OD1 2.9Å; R199-D230 IonicContact NH2-OD2 3.29Å; R203-D230 IonicContact NH1-OD1 3.68Å; R203-D230 PolarHBondContact NH1-OD1 3.41Å; R203-D230 VanDerWaalsContact NH1-OD1 3.14Å; L223-D230 WeakPolarHBondContact O-CB 3.18Å; S227-D230 WeakPolarHBondContact CB-OD2 3.49Å; S227-D230 PolarHBondContact N-OD2 2.96Å; S227-D230 PolarHBondContact O-N 3.24Å; S227-D230 PolarHBondContact OG-N 2.97Å; S227-D230 VanDerWaalsContact OG-N 3.12Å; S227-D230 PolarHBondContact OG-OD2 3.45Å; D230-A232 PolarHBondContact O-N 3.47Å; D230-F233 WeakPolarHBondContact O-CB 3.4Å; D230-F233 PolarHBondContact O-N 3.35Å; D230-H234 PolarHBondContact O-N 3.3Å; D230-H234 VanDerWaalsContact O-N 3.14Å; D230-H234 PolarHBondContact O-ND1 3.14Å
231	R	86.3	Confident	84	Confident	62 Å²	62	43.1 Å²	43.1	23%	0.234	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-41.1	177.9	-69.3	-167.4	-54.9	-81.3	-1.2	112.7	A224 V225 G226 S227 S228 Q229 F233 H234 K235	A224-R231 WeakPolarHBondContact O-CG 3.48Å; V225-R231 PolarHBondContact O-NH1 3.44Å; G226-R231 PolarHBondContact O-NH1 2.96Å; S227-R231 PolarHBondContact O-N 3.38Å; S227-R231 VanDerWaalsContact O-N 3.13Å; S227-R231 PolarHBondContact O-NH1 2.92Å; S228-R231 PolarHBondContact O-N 3.11Å; Q229-R231 VanDerWaalsContact C-N 3.33Å; Q229-R231 PolarHBondContact O-N 3.25Å; R231-F233 VanDerWaalsContact C-N 3.33Å; R231-H234 PolarHBondContact O-N 2.92Å; R231-K235 WeakPolarHBondContact O-CG 3.3Å; R231-K235 PolarHBondContact O-N 3.05Å
232	A	87	Confident	84.1	Confident	39 Å²	39	42.2 Å²	42.2	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-43.5	177.5	0	0	0	0	0	111	S228 Q229 D230 K235 R236	S228-A232 WeakPolarHBondContact O-CB 3.03Å; S228-A232 PolarHBondContact O-N 2.88Å; Q229-A232 PolarHBondContact O-N 3.39Å; D230-A232 PolarHBondContact O-N 3.47Å; A232-K235 PolarHBondContact O-N 3.14Å; A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-N 3.05Å
233	F	87	Confident	84.1	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-56	-56	175	174.8	-105.5	0	0	0	111.6	L190 Y192 R203 V206 Q229 D230 R231 K235 R236 L237	L190-F233 HydrophobicContact CD2-CZ 4.35Å; Y192-F233 HydrophobicContact CD2-CD1 4.07Å; Y192-F233 AromaticContact CD2-CE1 3.63Å; Y192-F233 HydrophobicContact CD2-CE1 3.63Å; Y192-F233 HydrophobicContact CD2-CZ 4.28Å; Y192-F233 AromaticContact CE2-CD1 3.72Å; Y192-F233 HydrophobicContact CE2-CD1 3.72Å; Y192-F233 AromaticContact CE2-CE1 3.72Å; Y192-F233 HydrophobicContact CE2-CE1 3.72Å; Y192-F233 HydrophobicContact CE2-CG 4.37Å; Y192-F233 HydrophobicContact CE2-CZ 4.36Å; Y192-F233 HydrophobicContact CG-CE1 4.33Å; R203-F233 HydrophobicContact CB-CD2 4.43Å; R203-F233 HydrophobicContact CG-CB 4.11Å; R203-F233 HydrophobicContact CG-CD2 3.76Å; R203-F233 HydrophobicContact CG-CE2 4.33Å; R203-F233 HydrophobicContact CG-CG 3.94Å; V206-F233 HydrophobicContact CB-CE2 3.98Å; V206-F233 HydrophobicContact CG1-CE2 3.88Å; V206-F233 HydrophobicContact CG1-CZ 4.49Å; V206-F233 HydrophobicContact CG2-CE2 4.15Å; V206-F233 HydrophobicContact CG2-CZ 4.27Å; Q229-F233 PolarHBondContact O-N 3.04Å; D230-F233 WeakPolarHBondContact O-CB 3.4Å; D230-F233 PolarHBondContact O-N 3.35Å; R231-F233 VanDerWaalsContact C-N 3.33Å; F233-K235 VanDerWaalsContact C-N 3.29Å; F233-K235 PolarHBondContact O-N 2.87Å; F233-R236 PolarHBondContact O-N 2.76Å; F233-L237 HydrophobicContact CD1-CD1 4.37Å; F233-L237 HydrophobicContact CE1-CD1 3.95Å; F233-L237 HydrophobicContact CE1-CD2 4.25Å; F233-L237 HydrophobicContact CE1-CG 4.37Å; F233-L237 HydrophobicContact CE2-CD2 4.11Å; F233-L237 HydrophobicContact CZ-CD1 4.37Å; F233-L237 HydrophobicContact CZ-CD2 3.84Å; F233-L237 HydrophobicContact CZ-CG 4.43Å; F233-L237 PolarHBondContact O-N 3.2Å
234	H	85.7	Confident	84.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-34.2	-177.9	-63.2	98.9	0	0	0	113.4	Y192 T219 D230 R231 R236 L237 L264	Y192-H234 AromaticContact CD1-CE1 3.91Å; Y192-H234 AromaticContact CD1-NE2 3.95Å; Y192-H234 AromaticContact CE1-CE1 3.77Å; T219-H234 PolarHBondContact OG1-NE2 3.25Å; D230-H234 PolarHBondContact O-N 3.3Å; D230-H234 VanDerWaalsContact O-N 3.14Å; D230-H234 PolarHBondContact O-ND1 3.14Å; R231-H234 PolarHBondContact O-N 2.92Å; H234-R236 VanDerWaalsContact C-N 3.32Å; H234-R236 PolarHBondContact O-N 3Å; H234-L237 PolarHBondContact O-N 3.32Å; H234-L264 HydrophobicContact CB-CD2 3.72Å
235	K	85	Confident	84	Confident	71 Å²	71	35 Å²	35	31%	0.309	20%	0.196	S	C	.	.	H	α-helix	trans	-67.3	-29.9	176.2	-75.9	-175.9	-179.1	-168.9	0	113.3	R231 A232 F233 Q263 N265	R231-K235 WeakPolarHBondContact O-CG 3.3Å; R231-K235 PolarHBondContact O-N 3.05Å; A232-K235 PolarHBondContact O-N 3.14Å; F233-K235 VanDerWaalsContact C-N 3.29Å; F233-K235 PolarHBondContact O-N 2.87Å; K235-Q263 WeakPolarHBondContact CE-O 3.27Å; K235-N265 PolarHBondContact O-ND2 2.74Å
236	R	84.1	Confident	83.6	Confident	150 Å²	150	35.9 Å²	35.9	57%	0.566	20%	0.199	S	C	*	.	H	α-helix	trans	-82.7	-15.3	-179.6	-68.2	-172.5	-49	-137.4	15.7	113.8	D207 A232 F233 H234 G238	D207-R236 IonicContact OD1-CZ 2.82Å; D207-R236 IonicContact OD1-NH2 2.91Å; D207-R236 PolarHBondContact OD1-NH2 3.04Å; D207-R236 IonicContact OD2-NH2 2.9Å; D207-R236 PolarHBondContact OD2-NH2 3.35Å; A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-N 3.05Å; F233-R236 PolarHBondContact O-N 2.76Å; H234-R236 VanDerWaalsContact C-N 3.32Å; H234-R236 PolarHBondContact O-N 3Å; R236-G238 PolarHBondContact O-N 3.34Å
237	L	80.5	Confident	83.7	Confident	22 Å²	22	34.5 Å²	34.5	12%	0.115	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17	-177.1	-70.7	176.6	0	0	0	114.5	P167 F214 V217 F233 H234 I239	P167-L237 HydrophobicContact CG-CB 4.16Å; P167-L237 VanDerWaalsContact CG-O 3.27Å; P167-L237 WeakPolarHBondContact CG-O 3.19Å; F214-L237 HydrophobicContact CE2-CD2 3.93Å; F214-L237 HydrophobicContact CZ-CD2 3.69Å; V217-L237 HydrophobicContact CB-CD1 4.43Å; V217-L237 HydrophobicContact CG1-CD1 4.28Å; V217-L237 HydrophobicContact CG2-CD1 4.04Å; F233-L237 HydrophobicContact CD1-CD1 4.37Å; F233-L237 HydrophobicContact CE1-CD1 3.95Å; F233-L237 HydrophobicContact CE1-CD2 4.25Å; F233-L237 HydrophobicContact CE1-CG 4.37Å; F233-L237 HydrophobicContact CE2-CD2 4.11Å; F233-L237 HydrophobicContact CZ-CD1 4.37Å; F233-L237 HydrophobicContact CZ-CD2 3.84Å; F233-L237 HydrophobicContact CZ-CG 4.43Å; F233-L237 PolarHBondContact O-N 3.2Å; H234-L237 PolarHBondContact O-N 3.32Å; L237-I239 HydrophobicContact CB-CG1 4Å
238	G	76.2	Confident	83.3	Confident	42 Å²	42	34 Å²	34	43%	0.433	18%	0.177	S	C	.	.			trans	59.1	61.7	-178.3	0	0	0	0	0	112.1	I166 R236 N240	I166-G238 WeakPolarHBondContact CG2-O 3.15Å; R236-G238 PolarHBondContact O-N 3.34Å; G238-N240 PolarHBondContact O-N 3.06Å
239	I	79.4	Confident	83	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.8	-165.2	-61	159.7	0	0	0	110.8	L169 L237 Y241 A242 N265 A266 R267	L169-I239 HydrophobicContact CB-CD1 3.84Å; L169-I239 HydrophobicContact CB-CG1 4.18Å; L169-I239 HydrophobicContact CB-CG2 3.92Å; L169-I239 HydrophobicContact CD2-CD1 3.68Å; L169-I239 HydrophobicContact CG-CD1 4.29Å; L237-I239 HydrophobicContact CB-CG1 4Å; I239-Y241 WeakPolarHBondContact CG2-O 3.23Å; I239-A242 HydrophobicContact CG2-CB 4.21Å; I239-N265 PolarHBondContact N-O 2.88Å; I239-N265 VanDerWaalsContact N-O 3.12Å; I239-A266 HydrophobicContact CB-CB 4.22Å; I239-A266 HydrophobicContact CG2-CB 4.1Å; I239-A266 VanDerWaalsContact O-CA 3.31Å; I239-A266 WeakPolarHBondContact O-CA 3.39Å; I239-R267 PolarHBondContact O-N 3.14Å
240	N	78.5	Confident	82.8	Confident	27 Å²	27	28 Å²	28	14%	0.144	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-51.1	172.9	-165.6	32.2	0	0	0	111.1	I166 P167 G238 R267 Q268	I166-N240 HydrophobicContact CB-CB 4.37Å; I166-N240 HydrophobicContact CG2-CB 3.83Å; P167-N240 PolarHBondContact O-N 3.23Å; G238-N240 PolarHBondContact O-N 3.06Å; N240-R267 WeakPolarHBondContact O-CB 3.41Å; N240-R267 PolarHBondContact O-N 2.73Å; N240-Q268 PolarHBondContact O-N 3.3Å
241	Y	81.4	Confident	82.4	Confident	17 Å²	17	31.4 Å²	31.4	7%	0.067	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.3	175.5	-68.1	-81.7	0	0	0	111.1	R137 I168 L169 I239 Q268 I270	R137-Y241 WeakPolarHBondContact CD-OH 3.47Å; R137-Y241 WeakPolarHBondContact CG-OH 3.31Å; I168-Y241 WeakPolarHBondContact CA-O 3.45Å; I168-Y241 HydrophobicContact CG1-CD2 4.39Å; L169-Y241 PolarHBondContact N-O 3.41Å; I239-Y241 WeakPolarHBondContact CG2-O 3.23Å; Y241-Q268 WeakPolarHBondContact CA-O 3.46Å; Y241-Q268 HydrophobicContact CD1-CB 3.75Å; Y241-Q268 HydrophobicContact CE1-CB 3.66Å; Y241-Q268 HydrophobicContact CE1-CG 4.23Å; Y241-Q268 PolarHBondContact OH-OE1 2.94Å; Y241-I270 HydrophobicContact CD1-CD1 3.88Å; Y241-I270 HydrophobicContact CD1-CG1 4.37Å; Y241-I270 HydrophobicContact CE1-CD1 4.31Å
242	A	85.5	Confident	82.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114	164.3	0	0	0	0	0	108.9	I239 F244 A266 Q268 R269 I270	I239-A242 HydrophobicContact CG2-CB 4.21Å; A242-F244 HydrophobicContact CB-CD2 4.41Å; A242-F244 HydrophobicContact CB-CE2 3.47Å; A242-F244 VanDerWaalsContact CB-CE2 3.47Å; A242-F244 HydrophobicContact CB-CZ 3.84Å; A242-F244 WeakPolarHBondContact O-CD2 3.07Å; A242-F244 WeakPolarHBondContact O-CE2 3.46Å; A242-A266 HydrophobicContact CB-CB 3.53Å; A242-Q268 PolarHBondContact N-O 3.26Å; A242-R269 WeakPolarHBondContact O-CA 3.4Å; A242-I270 PolarHBondContact O-N 3.14Å
243	I	85.3	Confident	81.8	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.6	-179.4	-55.1	167.1	0	0	0	108	I168 L169 L170 L171 I270 L272 T626	I168-I243 HydrophobicContact CG2-CD1 3.78Å; I168-I243 HydrophobicContact CG2-CG1 4.38Å; L169-I243 PolarHBondContact O-N 3.23Å; L170-I243 HydrophobicContact CD2-CB 3.45Å; L170-I243 VanDerWaalsContact CD2-CB 3.45Å; L170-I243 HydrophobicContact CD2-CD1 3.31Å; L170-I243 HydrophobicContact CD2-CG1 3.82Å; L170-I243 HydrophobicContact CD2-CG2 3.93Å; L171-I243 PolarHBondContact N-O 2.92Å; I243-I270 WeakPolarHBondContact CA-O 3.35Å; I243-I270 HydrophobicContact CG1-CB 4.16Å; I243-I270 HydrophobicContact CG1-CD1 4.41Å; I243-L272 HydrophobicContact CG2-CD1 3.62Å; I243-L272 HydrophobicContact CG2-CD2 4.48Å; I243-L272 HydrophobicContact CG2-CG 3.83Å; I243-T626 HydrophobicContact CD1-CG2 3.63Å; I243-T626 HydrophobicContact CG1-CG2 4.28Å; I243-T626 HydrophobicContact CG2-CG2 3.98Å
244	F	86.2	Confident	81.5	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	99.8	-175.9	-61.9	-94.7	0	0	0	108.3	L171 Y221 A242 L250 L261 L264 R269 I270 L271 L272 F290	L171-F244 HydrophobicContact CB-CD1 4.33Å; L171-F244 HydrophobicContact CD1-CD1 3.42Å; L171-F244 VanDerWaalsContact CD1-CD1 3.42Å; L171-F244 HydrophobicContact CD1-CE1 3.2Å; L171-F244 HydrophobicContact CD1-CG 4.42Å; L171-F244 HydrophobicContact CD1-CZ 4.05Å; L171-F244 HydrophobicContact CG-CD1 4.49Å; Y221-F244 AromaticContact CE1-CD1 3.99Å; Y221-F244 HydrophobicContact CE1-CD1 3.99Å; Y221-F244 WeakPolarHBondContact OH-CB 3.46Å; A242-F244 HydrophobicContact CB-CD2 4.41Å; A242-F244 HydrophobicContact CB-CE2 3.47Å; A242-F244 VanDerWaalsContact CB-CE2 3.47Å; A242-F244 HydrophobicContact CB-CZ 3.84Å; A242-F244 WeakPolarHBondContact O-CD2 3.07Å; A242-F244 WeakPolarHBondContact O-CE2 3.46Å; F244-L250 HydrophobicContact CB-CD1 4.25Å; F244-L250 HydrophobicContact CD1-CD1 3.9Å; F244-L250 HydrophobicContact CE1-CD1 4.49Å; F244-L250 HydrophobicContact CG-CD1 4.11Å; F244-L261 HydrophobicContact CE1-CB 4.41Å; F244-L261 HydrophobicContact CE1-CD1 4.25Å; F244-L261 HydrophobicContact CE1-CD2 4.38Å; F244-L264 HydrophobicContact CZ-CD1 4.41Å; F244-R269 HydrophobicContact CE2-CB 4.43Å; F244-R269 HydrophobicContact CE2-CG 4.38Å; F244-I270 PolarHBondContact N-O 3.4Å; F244-L271 HydrophobicContact CB-CD2 3.57Å; F244-L271 HydrophobicContact CD2-CD2 3.71Å; F244-L271 HydrophobicContact CG-CD2 3.83Å; F244-L272 PolarHBondContact O-N 3.33Å; F244-F290 HydrophobicContact CD1-CE1 4.2Å; F244-F290 HydrophobicContact CD1-CZ 4.28Å; F244-F290 AromaticContact CD2-CE1 3.89Å; F244-F290 HydrophobicContact CD2-CE1 3.89Å; F244-F290 AromaticContact CE1-CE1 3.84Å; F244-F290 HydrophobicContact CE1-CE1 3.84Å; F244-F290 AromaticContact CE1-CZ 3.63Å; F244-F290 HydrophobicContact CE1-CZ 3.63Å; F244-F290 AromaticContact CE2-CE1 3.53Å; F244-F290 HydrophobicContact CE2-CE1 3.53Å; F244-F290 HydrophobicContact CE2-CZ 4.07Å; F244-F290 HydrophobicContact CG-CE1 4.22Å; F244-F290 AromaticContact CZ-CE1 3.51Å; F244-F290 HydrophobicContact CZ-CE1 3.51Å; F244-F290 AromaticContact CZ-CZ 3.52Å; F244-F290 HydrophobicContact CZ-CZ 3.52Å
245	D	81.9	Confident	81.5	Confident	9 Å²	9	39 Å²	39	5%	0.048	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	147	173.1	-162.9	15.1	0	0	0	109.7	R151 L171 F172 W176 Y221 A247	R151-D245 IonicContact CZ-OD2 2.66Å; R151-D245 IonicContact NH1-OD2 2.71Å; R151-D245 PolarHBondContact NH1-OD2 3.4Å; R151-D245 VanDerWaalsContact NH1-OD2 3.07Å; R151-D245 VanDerWaalsContact NH2-CG 3.27Å; R151-D245 IonicContact NH2-OD1 3.58Å; R151-D245 PolarHBondContact NH2-OD1 2.85Å; R151-D245 IonicContact NH2-OD2 3.53Å; R151-D245 PolarHBondContact NH2-OD2 3.45Å; L171-D245 WeakPolarHBondContact O-CB 3.4Å; L171-D245 PolarHBondContact O-N 2.87Å; F172-D245 HydrophobicContact CB-CB 4.13Å; W176-D245 PolarHBondContact NE1-OD2 3.03Å; Y221-D245 WeakPolarHBondContact CE2-O 3.47Å; Y221-D245 PolarHBondContact OH-O 3.43Å; D245-A247 PolarHBondContact O-N 2.85Å
246	E	77.3	Confident	81.6	Confident	33 Å²	33	38.7 Å²	38.7	15%	0.154	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	50.5	-176.5	-63.8	-62	161.3	0	0	113.1	M149 H248 M249 L272 Q546	M149-E246 WeakPolarHBondContact CE-OE1 3.46Å; E246-H248 PolarHBondContact O-N 3.32Å; E246-H248 PolarHBondContact O-ND1 3.49Å; E246-H248 IonicContact OE2-CE1 2.93Å; E246-H248 PolarHBondContact OE2-CE1 2.86Å; E246-H248 IonicContact OE2-ND1 2.66Å; E246-H248 PolarHBondContact OE2-ND1 2.66Å; E246-M249 WeakPolarHBondContact O-CG 3.04Å; E246-M249 PolarHBondContact O-N 3.18Å; E246-L272 PolarHBondContact N-O 3.02Å; E246-Q546 PolarHBondContact OE1-NE2 3.26Å; E246-Q546 PolarHBondContact OE2-NE2 2.74Å
247	A	82.5	Confident	81.9	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.5	-8.8	-173.8	0	0	0	0	0	114.9	D245 M249 L250 L271 L272 L287	D245-A247 PolarHBondContact O-N 2.85Å; A247-M249 PolarHBondContact O-N 2.94Å; A247-L250 WeakPolarHBondContact O-CB 3.33Å; A247-L250 PolarHBondContact O-N 3.29Å; A247-L271 HydrophobicContact CB-CB 3.74Å; A247-L271 HydrophobicContact CB-CD1 4.23Å; A247-L271 HydrophobicContact CB-CD2 4.01Å; A247-L271 HydrophobicContact CB-CG 4.21Å; A247-L272 PolarHBondContact N-O 3.14Å; A247-L287 WeakPolarHBondContact O-CD2 3.42Å
248	H	77.9	Confident	82.3	Confident	37 Å²	37	34.2 Å²	34.2	17%	0.171	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-53.8	-21	167.3	72.3	-100	0	0	0	112.8	E246 L250 K251	E246-H248 PolarHBondContact O-N 3.32Å; E246-H248 PolarHBondContact O-ND1 3.49Å; E246-H248 IonicContact OE2-CE1 2.93Å; E246-H248 PolarHBondContact OE2-CE1 2.86Å; E246-H248 IonicContact OE2-ND1 2.66Å; E246-H248 PolarHBondContact OE2-ND1 2.66Å; H248-L250 PolarHBondContact O-N 2.93Å; H248-K251 WeakPolarHBondContact O-CB 3.44Å; H248-K251 WeakPolarHBondContact O-CD 3.44Å; H248-K251 WeakPolarHBondContact O-CG 3.39Å; H248-K251 PolarHBondContact O-N 2.9Å
249	M	79.2	Confident	82.9	Confident	68 Å²	68	37.9 Å²	37.9	34%	0.335	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-66.4	-12.7	172.2	-68.7	-66.1	-94.2	0	0	114.7	Y221 E246 A247 R257	Y221-M249 HydrophobicContact CE1-CB 4.3Å; E246-M249 WeakPolarHBondContact O-CG 3.04Å; E246-M249 PolarHBondContact O-N 3.18Å; A247-M249 PolarHBondContact O-N 2.94Å; M249-R257 PolarHBondContact O-NH1 2.72Å
250	L	83.2	Confident	83.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-107.2	12.1	-180	-59.3	175.9	0	0	0	113.4	Y221 F244 A247 H248 S252 Y258 L261 L271 L287 F290	Y221-L250 HydrophobicContact CE1-CD2 4.19Å; Y221-L250 HydrophobicContact CE1-CG 4.28Å; F244-L250 HydrophobicContact CB-CD1 4.25Å; F244-L250 HydrophobicContact CD1-CD1 3.9Å; F244-L250 HydrophobicContact CE1-CD1 4.49Å; F244-L250 HydrophobicContact CG-CD1 4.11Å; A247-L250 WeakPolarHBondContact O-CB 3.33Å; A247-L250 PolarHBondContact O-N 3.29Å; H248-L250 PolarHBondContact O-N 2.93Å; L250-S252 PolarHBondContact O-N 2.87Å; L250-Y258 HydrophobicContact CB-CD2 4.29Å; L250-Y258 WeakPolarHBondContact O-CD2 3.47Å; L250-L261 HydrophobicContact CD2-CD1 3.64Å; L250-L271 HydrophobicContact CD1-CD2 3.91Å; L250-L287 HydrophobicContact CB-CD2 3.95Å; L250-F290 HydrophobicContact CD1-CD1 3.79Å; L250-F290 HydrophobicContact CD1-CD2 4.3Å; L250-F290 HydrophobicContact CD1-CE1 3.56Å; L250-F290 HydrophobicContact CD1-CE2 4.11Å; L250-F290 HydrophobicContact CD1-CG 4.15Å; L250-F290 HydrophobicContact CD1-CZ 3.74Å; L250-F290 HydrophobicContact CD2-CE2 4.22Å; L250-F290 HydrophobicContact CD2-CZ 4.39Å
251	K	79.6	Confident	83.8	Confident	73 Å²	73	39.7 Å²	39.7	32%	0.317	21%	0.206	S	C	.	.			trans	-61	-10.2	-174.9	70.8	-173.2	-165	159.4	0	116.8	H248 N279 E283	H248-K251 WeakPolarHBondContact O-CB 3.44Å; H248-K251 WeakPolarHBondContact O-CD 3.44Å; H248-K251 WeakPolarHBondContact O-CG 3.39Å; H248-K251 PolarHBondContact O-N 2.9Å; K251-N279 PolarHBondContact NZ-ND2 2.64Å; K251-E283 HydrophobicContact CB-CB 4.05Å; K251-E283 HydrophobicContact CB-CG 3.86Å; K251-E283 WeakPolarHBondContact CD-OE1 3.21Å; K251-E283 HydrophobicContact CG-CG 4.41Å; K251-E283 IonicContact NZ-OE1 3.71Å; K251-E283 PolarHBondContact NZ-OE1 2.93Å; K251-E283 WeakPolarHBondContact O-CA 3.36Å
252	S	81.2	Confident	84.1	Confident	42 Å²	42	40.8 Å²	40.8	29%	0.294	21%	0.213	S	C	.	.			trans	-136.9	116.9	-178.4	179.2	0	0	0	0	111.4	L250 N254 T255 Y258	L250-S252 PolarHBondContact O-N 2.87Å; S252-N254 PolarHBondContact O-N 3.38Å; S252-T255 PolarHBondContact O-N 2.93Å; S252-T255 PolarHBondContact O-OG1 3.26Å; S252-Y258 WeakPolarHBondContact O-CB 3.46Å
253	C	80.7	Confident	84.2	Confident	44 Å²	44	45.4 Å²	45.4	30%	0.297	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.1	177.8	60.1	0	0	0	0	113.8	T255 Y258	C253-T255 VanDerWaalsContact C-N 3.29Å; C253-T255 PolarHBondContact O-N 3.3Å; C253-Y258 HydrophobicContact CB-CD1 4.1Å; C253-Y258 HydrophobicContact CB-CE1 3.81Å; C253-Y258 HydrophobicContact CB-CE2 4.44Å
254	N	80.8	Confident	84.2	Confident	123 Å²	123	45.8 Å²	45.8	66%	0.658	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.4	-179.4	-71.4	-22.3	0	0	0	113.6	S252	S252-N254 PolarHBondContact O-N 3.38Å
255	T	85.9	Confident	84	Confident	53 Å²	53	50.7 Å²	50.7	33%	0.325	26%	0.262	S	S	.	.	S	Bend	trans	-71.5	142.7	-177.4	65.3	0	0	0	0	111.7	S252 C253 R257 Y258 K259	S252-T255 PolarHBondContact O-N 2.93Å; S252-T255 PolarHBondContact O-OG1 3.26Å; C253-T255 VanDerWaalsContact C-N 3.29Å; C253-T255 PolarHBondContact O-N 3.3Å; T255-R257 PolarHBondContact O-N 3.24Å; T255-Y258 PolarHBondContact O-N 3.43Å; T255-Y258 VanDerWaalsContact OG1-CB 3.24Å; T255-Y258 WeakPolarHBondContact OG1-CB 3.35Å; T255-Y258 PolarHBondContact OG1-N 2.73Å; T255-K259 PolarHBondContact O-N 3.07Å; T255-K259 VanDerWaalsContact O-N 3.16Å
256	A	87.4	Confident	84.1	Confident	65 Å²	65	51.1 Å²	51.1	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-59.3	-32.1	175.6	0	0	0	0	0	112.3	K260	A256-K260 WeakPolarHBondContact O-CB 3.16Å; A256-K260 WeakPolarHBondContact O-CG 3.35Å; A256-K260 PolarHBondContact O-N 2.78Å; A256-K260 VanDerWaalsContact O-N 3.09Å
257	R	88.8	Confident	84.3	Confident	72 Å²	72	59.1 Å²	59.1	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-53.5	174.2	-178.2	-169.2	-64.4	146.3	-0.4	111	V225 M249 T255 K259 K260 L261	V225-R257 HydrophobicContact CG1-CB 4.49Å; V225-R257 HydrophobicContact CG2-CB 4.47Å; V225-R257 HydrophobicContact CG2-CG 3.93Å; M249-R257 PolarHBondContact O-NH1 2.72Å; T255-R257 PolarHBondContact O-N 3.24Å; R257-K259 PolarHBondContact O-N 3.26Å; R257-K260 PolarHBondContact O-N 3.16Å; R257-L261 HydrophobicContact CG-CD1 3.73Å; R257-L261 HydrophobicContact CG-CG 4.49Å; R257-L261 WeakPolarHBondContact O-CG 3.4Å; R257-L261 PolarHBondContact O-N 3.21Å
258	Y	89.6	Confident	84.2	Confident	5 Å²	5	59.6 Å²	59.6	2%	0.02	30%	0.298	C	S	.	.	H	α-helix	trans	-55.7	-54.1	179.3	-174.7	-80.7	0	0	0	111.3	L250 S252 C253 T255 K260 L261 M262 S286 H289 F290	L250-Y258 HydrophobicContact CB-CD2 4.29Å; L250-Y258 WeakPolarHBondContact O-CD2 3.47Å; S252-Y258 WeakPolarHBondContact O-CB 3.46Å; C253-Y258 HydrophobicContact CB-CD1 4.1Å; C253-Y258 HydrophobicContact CB-CE1 3.81Å; C253-Y258 HydrophobicContact CB-CE2 4.44Å; T255-Y258 PolarHBondContact O-N 3.43Å; T255-Y258 VanDerWaalsContact OG1-CB 3.24Å; T255-Y258 WeakPolarHBondContact OG1-CB 3.35Å; T255-Y258 PolarHBondContact OG1-N 2.73Å; Y258-K260 VanDerWaalsContact C-N 3.28Å; Y258-K260 PolarHBondContact O-N 2.95Å; Y258-L261 PolarHBondContact O-N 3.18Å; Y258-M262 HydrophobicContact CD1-CG 3.79Å; Y258-M262 HydrophobicContact CE1-CG 3.59Å; Y258-M262 HydrophobicContact CE1-SD 4.04Å; Y258-M262 VanDerWaalsContact O-CG 3.32Å; Y258-M262 WeakPolarHBondContact O-CG 3.3Å; Y258-M262 PolarHBondContact O-N 2.82Å; Y258-S286 VanDerWaalsContact CE2-O 3.3Å; Y258-S286 WeakPolarHBondContact CE2-O 3.41Å; Y258-S286 PolarHBondContact OH-O 3.25Å; Y258-H289 PolarHBondContact OH-CD2 3.02Å; Y258-F290 AromaticContact CD2-CD2 3.9Å; Y258-F290 HydrophobicContact CD2-CD2 3.9Å; Y258-F290 HydrophobicContact CE1-CD2 4.29Å; Y258-F290 HydrophobicContact CE2-CB 3.78Å; Y258-F290 AromaticContact CE2-CD2 3.58Å; Y258-F290 HydrophobicContact CE2-CD2 3.58Å; Y258-F290 HydrophobicContact CE2-CG 4.08Å; Y258-F290 HydrophobicContact CG-CD2 4.4Å; Y258-F290 AromaticContact CZ-CD2 3.79Å; Y258-F290 PolarHBondContact OH-N 2.84Å
259	K	87.8	Confident	84.6	Confident	120 Å²	120	58.6 Å²	58.6	52%	0.522	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-38.2	-178.6	-66.3	-178.4	179.7	-178.9	0	112.9	T255 R257 Q263	T255-K259 PolarHBondContact O-N 3.07Å; T255-K259 VanDerWaalsContact O-N 3.16Å; R257-K259 PolarHBondContact O-N 3.26Å; K259-Q263 WeakPolarHBondContact O-CG 3.23Å
260	K	88.5	Confident	84.9	Confident	68 Å²	68	56 Å²	56	30%	0.296	28%	0.28	S	S	.	.	H	α-helix	trans	-74.3	-39	178.7	-77	171.4	166.3	-173.9	0	112.7	V225 A256 R257 Y258 M262 Q263	V225-K260 HydrophobicContact CB-CD 4.4Å; V225-K260 HydrophobicContact CG1-CB 4.16Å; V225-K260 HydrophobicContact CG1-CD 3.4Å; V225-K260 HydrophobicContact CG1-CG 4.42Å; V225-K260 HydrophobicContact CG2-CB 4.27Å; V225-K260 PolarHBondContact O-NZ 2.85Å; V225-K260 VanDerWaalsContact O-NZ 3.09Å; A256-K260 WeakPolarHBondContact O-CB 3.16Å; A256-K260 WeakPolarHBondContact O-CG 3.35Å; A256-K260 PolarHBondContact O-N 2.78Å; A256-K260 VanDerWaalsContact O-N 3.09Å; R257-K260 PolarHBondContact O-N 3.16Å; Y258-K260 VanDerWaalsContact C-N 3.28Å; Y258-K260 PolarHBondContact O-N 2.95Å; K260-M262 VanDerWaalsContact C-N 3.34Å; K260-Q263 WeakPolarHBondContact O-CB 3.46Å; K260-Q263 PolarHBondContact O-N 3.45Å
261	L	89.7	Confident	85	Confident	1 Å²	1	56 Å²	56	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-30.4	178	-68.8	171.1	0	0	0	112.4	L171 Y221 A224 V225 F244 L250 R257 Y258 Q263 L264 F290	L171-L261 HydrophobicContact CD1-CD2 4.06Å; Y221-L261 HydrophobicContact CD1-CD1 3.78Å; Y221-L261 HydrophobicContact CE1-CD1 4.1Å; A224-L261 HydrophobicContact CB-CD2 3.81Å; V225-L261 HydrophobicContact CG2-CD1 4.18Å; V225-L261 HydrophobicContact CG2-CD2 3.8Å; V225-L261 HydrophobicContact CG2-CG 3.68Å; F244-L261 HydrophobicContact CE1-CB 4.41Å; F244-L261 HydrophobicContact CE1-CD1 4.25Å; F244-L261 HydrophobicContact CE1-CD2 4.38Å; L250-L261 HydrophobicContact CD2-CD1 3.64Å; R257-L261 HydrophobicContact CG-CD1 3.73Å; R257-L261 HydrophobicContact CG-CG 4.49Å; R257-L261 WeakPolarHBondContact O-CG 3.4Å; R257-L261 PolarHBondContact O-N 3.21Å; Y258-L261 PolarHBondContact O-N 3.18Å; L261-Q263 PolarHBondContact O-N 3.18Å; L261-L264 HydrophobicContact CB-CD1 4.47Å; L261-L264 HydrophobicContact CD2-CD1 3.69Å; L261-L264 WeakPolarHBondContact O-CB 3.42Å; L261-L264 WeakPolarHBondContact O-CG 3.38Å; L261-L264 PolarHBondContact O-N 3Å; L261-F290 HydrophobicContact CB-CE2 3.91Å; L261-F290 HydrophobicContact CB-CZ 3.91Å
262	M	87.2	Confident	85.2	Confident	41 Å²	41	53.1 Å²	53.1	20%	0.202	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.2	171.4	-76	-69.8	-75.3	0	0	113.1	Y258 K260 L264 R269 F290 P293	Y258-M262 HydrophobicContact CD1-CG 3.79Å; Y258-M262 HydrophobicContact CE1-CG 3.59Å; Y258-M262 HydrophobicContact CE1-SD 4.04Å; Y258-M262 VanDerWaalsContact O-CG 3.32Å; Y258-M262 WeakPolarHBondContact O-CG 3.3Å; Y258-M262 PolarHBondContact O-N 2.82Å; K260-M262 VanDerWaalsContact C-N 3.34Å; M262-L264 VanDerWaalsContact C-N 3.29Å; M262-L264 PolarHBondContact O-N 3.28Å; M262-R269 PolarHBondContact O-NH2 3.1Å; M262-R269 PolarHBondContact SD-NH1 3.13Å; M262-F290 HydrophobicContact CG-CD2 3.82Å; M262-F290 HydrophobicContact CG-CE2 3.91Å; M262-F290 HydrophobicContact SD-CB 4.33Å; M262-F290 HydrophobicContact SD-CD2 3.36Å; M262-F290 WeakPolarHBondContact SD-CD2 3.45Å; M262-F290 HydrophobicContact SD-CE2 3.83Å; M262-F290 HydrophobicContact SD-CG 4.02Å; M262-P293 HydrophobicContact CE-CB 3.76Å
263	Q	86.8	Confident	85.1	Confident	96 Å²	96	51.5 Å²	51.5	45%	0.449	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.3	178.8	-56.8	175.5	3.7	0	0	113.9	K235 K259 K260 L261	K235-Q263 WeakPolarHBondContact CE-O 3.27Å; K259-Q263 WeakPolarHBondContact O-CG 3.23Å; K260-Q263 WeakPolarHBondContact O-CB 3.46Å; K260-Q263 PolarHBondContact O-N 3.45Å; L261-Q263 PolarHBondContact O-N 3.18Å
264	L	85.6	Confident	84.7	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.052	25%	0.248	C	C	.	.	S	Bend	trans	-71.1	131.3	173.5	-68.9	173	0	0	0	109.4	L169 H234 F244 L261 M262 A266	L169-L264 HydrophobicContact CD2-CD1 4.04Å; H234-L264 HydrophobicContact CB-CD2 3.72Å; F244-L264 HydrophobicContact CZ-CD1 4.41Å; L261-L264 HydrophobicContact CB-CD1 4.47Å; L261-L264 HydrophobicContact CD2-CD1 3.69Å; L261-L264 WeakPolarHBondContact O-CB 3.42Å; L261-L264 WeakPolarHBondContact O-CG 3.38Å; L261-L264 PolarHBondContact O-N 3Å; M262-L264 VanDerWaalsContact C-N 3.29Å; M262-L264 PolarHBondContact O-N 3.28Å; L264-A266 PolarHBondContact O-N 2.85Å
265	N	83.6	Confident	84.3	Confident	104 Å²	104	45.1 Å²	45.1	56%	0.556	22%	0.223	S	C	*	.			trans	-78.5	76.5	175.5	-66.3	-14.9	0	0	0	109.1	K235 I239	K235-N265 PolarHBondContact O-ND2 2.74Å; I239-N265 PolarHBondContact N-O 2.88Å; I239-N265 VanDerWaalsContact N-O 3.12Å
266	A	83.2	Confident	83.5	Confident	18 Å²	18	42.9 Å²	42.9	15%	0.149	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.1	177.2	0	0	0	0	0	110.1	I239 A242 L264 R269	I239-A266 HydrophobicContact CB-CB 4.22Å; I239-A266 HydrophobicContact CG2-CB 4.1Å; I239-A266 VanDerWaalsContact O-CA 3.31Å; I239-A266 WeakPolarHBondContact O-CA 3.39Å; A242-A266 HydrophobicContact CB-CB 3.53Å; L264-A266 PolarHBondContact O-N 2.85Å; A266-R269 HydrophobicContact CB-CG 4.45Å
267	R	80.7	Confident	82.9	Confident	202 Å²	202	39.9 Å²	39.9	76%	0.762	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	-44.7	179.5	-174.7	-179.1	178.9	142.4	-0.5	111.9	I239 N240	I239-R267 PolarHBondContact O-N 3.14Å; N240-R267 WeakPolarHBondContact O-CB 3.41Å; N240-R267 PolarHBondContact O-N 2.73Å
268	Q	81.1	Confident	81.9	Confident	10 Å²	10	36.9 Å²	36.9	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.1	175.9	-66.5	-174.9	-72.2	0	0	110.7	V141 N240 Y241 A242	V141-Q268 PolarHBondContact O-NE2 2.91Å; N240-Q268 PolarHBondContact O-N 3.3Å; Y241-Q268 WeakPolarHBondContact CA-O 3.46Å; Y241-Q268 HydrophobicContact CD1-CB 3.75Å; Y241-Q268 HydrophobicContact CE1-CB 3.66Å; Y241-Q268 HydrophobicContact CE1-CG 4.23Å; Y241-Q268 PolarHBondContact OH-OE1 2.94Å; A242-Q268 PolarHBondContact N-O 3.26Å
269	R	86.4	Confident	80.9	Confident	16 Å²	16	38.5 Å²	38.5	6%	0.06	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.1	-179.2	-62.9	176.2	-178.4	-170.5	-1.2	109.4	S142 A143 A242 F244 M262 A266 F290	S142-R269 WeakPolarHBondContact CA-O 3.42Å; S142-R269 WeakPolarHBondContact CB-O 3.03Å; S142-R269 PolarHBondContact OG-N 2.76Å; S142-R269 PolarHBondContact OG-O 3.23Å; A143-R269 PolarHBondContact N-O 3.31Å; A242-R269 WeakPolarHBondContact O-CA 3.4Å; F244-R269 HydrophobicContact CE2-CB 4.43Å; F244-R269 HydrophobicContact CE2-CG 4.38Å; M262-R269 PolarHBondContact O-NH2 3.1Å; M262-R269 PolarHBondContact SD-NH1 3.13Å; A266-R269 HydrophobicContact CB-CG 4.45Å; R269-F290 WeakPolarHBondContact CD-O 3.07Å; R269-F290 PolarHBondContact NH1-O 2.96Å
270	I	84.9	Confident	80.1	Confident	12 Å²	12	36.1 Å²	36.1	6%	0.062	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.3	175.8	-58.9	176	0	0	0	107.6	L133 A143 Y241 A242 I243 F244 L272 T626	L133-I270 HydrophobicContact CD2-CD1 4.48Å; A143-I270 WeakPolarHBondContact O-CA 3.37Å; Y241-I270 HydrophobicContact CD1-CD1 3.88Å; Y241-I270 HydrophobicContact CD1-CG1 4.37Å; Y241-I270 HydrophobicContact CE1-CD1 4.31Å; A242-I270 PolarHBondContact O-N 3.14Å; I243-I270 WeakPolarHBondContact CA-O 3.35Å; I243-I270 HydrophobicContact CG1-CB 4.16Å; I243-I270 HydrophobicContact CG1-CD1 4.41Å; F244-I270 PolarHBondContact N-O 3.4Å; I270-L272 HydrophobicContact CG2-CD2 3.8Å; I270-T626 HydrophobicContact CG2-CG2 4.48Å
271	L	85.7	Confident	79.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123	174.5	-61.7	-169.8	0	0	0	109.2	A143 V144 L145 F244 A247 L250 L287 F290 V291	A143-L271 PolarHBondContact O-N 3.04Å; V144-L271 CarbonylContact C-O 3.52Å; V144-L271 WeakPolarHBondContact CA-O 3.25Å; V144-L271 HydrophobicContact CG1-CB 4.3Å; V144-L271 HydrophobicContact CG2-CB 4.26Å; V144-L271 HydrophobicContact CG2-CD1 4.32Å; L145-L271 PolarHBondContact N-O 2.77Å; F244-L271 HydrophobicContact CB-CD2 3.57Å; F244-L271 HydrophobicContact CD2-CD2 3.71Å; F244-L271 HydrophobicContact CG-CD2 3.83Å; A247-L271 HydrophobicContact CB-CB 3.74Å; A247-L271 HydrophobicContact CB-CD1 4.23Å; A247-L271 HydrophobicContact CB-CD2 4.01Å; A247-L271 HydrophobicContact CB-CG 4.21Å; L250-L271 HydrophobicContact CD1-CD2 3.91Å; L271-L287 HydrophobicContact CD1-CB 4.12Å; L271-L287 HydrophobicContact CD1-CD2 3.99Å; L271-F290 HydrophobicContact CD1-CD1 4.49Å; L271-F290 HydrophobicContact CD2-CD1 3.9Å; L271-F290 HydrophobicContact CD2-CE1 4.09Å; L271-V291 HydrophobicContact CD1-CG2 3.32Å; L271-V291 HydrophobicContact CG-CG2 3.61Å
272	L	83.3	Confident	78.5	Confident	14 Å²	14	34.9 Å²	34.9	7%	0.073	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.8	171.5	-46.9	177.8	0	0	0	108.1	L145 W176 I243 F244 E246 A247 I270 T626	L145-L272 HydrophobicContact CB-CD2 3.77Å; L145-L272 HydrophobicContact CD2-CD2 3.99Å; L145-L272 HydrophobicContact CG-CD2 4.47Å; W176-L272 HydrophobicContact CH2-CD1 4.04Å; W176-L272 HydrophobicContact CZ2-CD1 3.77Å; I243-L272 HydrophobicContact CG2-CD1 3.62Å; I243-L272 HydrophobicContact CG2-CD2 4.48Å; I243-L272 HydrophobicContact CG2-CG 3.83Å; F244-L272 PolarHBondContact O-N 3.33Å; E246-L272 PolarHBondContact N-O 3.02Å; A247-L272 PolarHBondContact N-O 3.14Å; I270-L272 HydrophobicContact CG2-CD2 3.8Å; L272-T626 HydrophobicContact CD1-CG2 4.24Å; L272-T626 HydrophobicContact CD2-CG2 4.15Å
273	T	78.7	Confident	78.1	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.043	17%	0.167	C	C	.	.			trans	-151.6	134.1	178	-177.7	0	0	0	0	111.8	V144 L145 A146 T275 P276	V144-T273 HydrophobicContact CG1-CG2 4.26Å; L145-T273 PolarHBondContact O-N 3.03Å; A146-T273 CarbonylContact C-O 3.6Å; A146-T273 WeakPolarHBondContact CA-O 3.11Å; T273-T275 PolarHBondContact O-N 3.21Å; T273-T275 PolarHBondContact OG1-N 3.42Å; T273-T275 VanDerWaalsContact OG1-N 3.13Å; T273-T275 PolarHBondContact OG1-O 2.8Å; T273-T275 VanDerWaalsContact OG1-O 3.07Å; T273-P276 HydrophobicContact CG2-CB 4.04Å
274	G	73.3	Confident	77.5	Confident	11 Å²	11	29.7 Å²	29.7	11%	0.113	15%	0.148	C	C	.	.	S	Bend	trans	-72.1	-18.1	170	0	0	0	0	0	113.8	D147	D147-G274 VanDerWaalsContact O-CA 3.29Å; D147-G274 WeakPolarHBondContact O-CA 3.29Å
275	T	72	Confident	76.9	Confident	22 Å²	22	29.9 Å²	29.9	14%	0.135	15%	0.15	C	C	.	.			trans	-140.5	88.3	-172.7	53.4	0	0	0	0	109.4	T273 L277 Q278 H542	T273-T275 PolarHBondContact O-N 3.21Å; T273-T275 PolarHBondContact OG1-N 3.42Å; T273-T275 VanDerWaalsContact OG1-N 3.13Å; T273-T275 PolarHBondContact OG1-O 2.8Å; T273-T275 VanDerWaalsContact OG1-O 3.07Å; T275-L277 PolarHBondContact O-N 3.46Å; T275-Q278 PolarHBondContact OG1-NE2 2.86Å; T275-Q278 VanDerWaalsContact OG1-NE2 3.1Å; T275-H542 HydrophobicContact CG2-CB 4.03Å; T275-H542 WeakPolarHBondContact CG2-ND1 3.36Å
276	P	69.3	Low	76.7	Confident	6 Å²	6	25.1 Å²	25.1	4%	0.039	13%	0.125	C	C	.	.	S	Bend	trans	-67.4	-24.3	-176.2	26.8	-34.7	0	0	0	112.9	A146 T273 L287	A146-P276 HydrophobicContact CB-CB 4.16Å; A146-P276 HydrophobicContact CB-CG 3.89Å; T273-P276 HydrophobicContact CG2-CB 4.04Å; P276-L287 VanDerWaalsContact O-CD1 3.28Å; P276-L287 WeakPolarHBondContact O-CD1 3.47Å
277	L	75.3	Confident	76.7	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.12	C	C	.	.			trans	-129.2	129.4	177.2	-169.4	80	0	0	0	108.9	T275 N280 L281 L284 H542 L585 E586 V589	T275-L277 PolarHBondContact O-N 3.46Å; L277-N280 WeakPolarHBondContact CD1-O 3.33Å; L277-L281 HydrophobicContact CD1-CD2 4.44Å; L277-L284 HydrophobicContact CD1-CB 3.82Å; L277-L284 HydrophobicContact CD1-CD2 4.38Å; L277-H542 PolarHBondContact O-CE1 3.28Å; L277-H542 PolarHBondContact O-NE2 3.09Å; L277-L585 HydrophobicContact CD2-CD2 4.32Å; L277-L585 HydrophobicContact CD2-CG 4.07Å; L277-E586 HydrophobicContact CD2-CB 4.48Å; L277-V589 HydrophobicContact CD2-CB 4.22Å; L277-V589 HydrophobicContact CD2-CG2 4.06Å
278	Q	67.3	Low	76.6	Confident	9 Å²	9	15.4 Å²	15.4	4%	0.042	9%	0.085	C	C	.	.	S	Bend	trans	-116.9	-52	177.1	-62.3	-173.1	-17.1	0	0	113.6	T275 E283 N540 H542	T275-Q278 PolarHBondContact OG1-NE2 2.86Å; T275-Q278 VanDerWaalsContact OG1-NE2 3.1Å; Q278-E283 WeakPolarHBondContact CB-OE2 3.43Å; Q278-E283 PolarHBondContact N-OE2 3.06Å; Q278-N540 PolarHBondContact OE1-ND2 3.02Å; Q278-H542 HydrophobicContact CG-CB 4.15Å; Q278-H542 PolarHBondContact O-NE2 3.05Å
279	N	69.1	Low	76.6	Confident	40 Å²	40	16.3 Å²	16.3	21%	0.214	9%	0.09	C	C	.	.	S	Bend	trans	-116.8	-46.4	-170.4	-61.4	-70.8	0	0	0	113.9	K251 E283 K582	K251-N279 PolarHBondContact NZ-ND2 2.64Å; N279-E283 WeakPolarHBondContact CB-OE1 3.47Å; N279-E283 PolarHBondContact N-OE2 3.12Å; N279-E283 PolarHBondContact ND2-OE1 2.82Å; N279-K582 WeakPolarHBondContact OD1-CE 3.41Å; N279-K582 PolarHBondContact OD1-NZ 2.89Å
280	N	70.9	Confident	76.6	Confident	69 Å²	69	15.6 Å²	15.6	37%	0.369	9%	0.087	S	C	.	.			trans	-153.7	165	-175.5	63.3	33.6	0	0	0	111.3	L277 V282 E283	L277-N280 WeakPolarHBondContact CD1-O 3.33Å; N280-V282 PolarHBondContact O-N 3.45Å; N280-V282 WeakPolarHBondContact OD1-CA 3.35Å; N280-V282 VanDerWaalsContact OD1-CB 3.27Å; N280-V282 WeakPolarHBondContact OD1-CB 3.42Å; N280-V282 PolarHBondContact OD1-N 2.88Å; N280-V282 VanDerWaalsContact OD1-N 3.14Å; N280-E283 WeakPolarHBondContact O-CB 3.46Å; N280-E283 PolarHBondContact O-N 3.25Å; N280-E283 WeakPolarHBondContact OD1-CG 3.15Å; N280-E283 PolarHBondContact OD1-N 2.87Å
281	L	70.6	Confident	76.6	Confident	17 Å²	17	15 Å²	15	9%	0.089	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-24.9	178.8	-67.2	171.1	0	0	0	112.8	L277 E283 L284 V285 I311 V589	L277-L281 HydrophobicContact CD1-CD2 4.44Å; L281-E283 PolarHBondContact O-N 3.01Å; L281-L284 HydrophobicContact CD2-CD2 4.34Å; L281-L284 WeakPolarHBondContact O-CA 3.2Å; L281-L284 WeakPolarHBondContact O-CB 3.49Å; L281-L284 PolarHBondContact O-N 3.02Å; L281-V285 WeakPolarHBondContact O-CG2 3.28Å; L281-V285 PolarHBondContact O-N 3.26Å; L281-V285 VanDerWaalsContact O-N 3.1Å; L281-I311 HydrophobicContact CD1-CB 4.47Å; L281-I311 HydrophobicContact CD1-CD1 3.91Å; L281-I311 HydrophobicContact CD1-CG1 3.66Å; L281-I311 HydrophobicContact CD1-CG2 4.36Å; L281-V589 HydrophobicContact CD2-CG2 3.8Å
282	V	73.7	Confident	76.3	Confident	27 Å²	27	15.9 Å²	15.9	16%	0.164	9%	0.088	C	C	.	.	H	α-helix	trans	-62.8	-32.6	177.7	-167.6	0	0	0	0	112	N280 L284 V285 S286 K304 E308	N280-V282 PolarHBondContact O-N 3.45Å; N280-V282 WeakPolarHBondContact OD1-CA 3.35Å; N280-V282 VanDerWaalsContact OD1-CB 3.27Å; N280-V282 WeakPolarHBondContact OD1-CB 3.42Å; N280-V282 PolarHBondContact OD1-N 2.88Å; N280-V282 VanDerWaalsContact OD1-N 3.14Å; V282-L284 VanDerWaalsContact C-N 3.3Å; V282-V285 PolarHBondContact O-N 3.48Å; V282-S286 PolarHBondContact O-N 2.9Å; V282-S286 PolarHBondContact O-OG 3.28Å; V282-K304 HydrophobicContact CB-CG 4.48Å; V282-K304 HydrophobicContact CG1-CB 4.48Å; V282-K304 HydrophobicContact CG1-CD 4.14Å; V282-K304 HydrophobicContact CG1-CG 3.91Å; V282-K304 HydrophobicContact CG2-CD 4.24Å; V282-K304 HydrophobicContact CG2-CG 3.73Å; V282-E308 WeakPolarHBondContact CG2-OE1 3.3Å
283	E	78.2	Confident	76.2	Confident	16 Å²	16	16.7 Å²	16.7	8%	0.075	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-41.1	173.3	-66.2	-178.9	161.1	0	0	111.1	K251 Q278 N279 N280 L281 S286 L287	K251-E283 HydrophobicContact CB-CB 4.05Å; K251-E283 HydrophobicContact CB-CG 3.86Å; K251-E283 WeakPolarHBondContact CD-OE1 3.21Å; K251-E283 HydrophobicContact CG-CG 4.41Å; K251-E283 IonicContact NZ-OE1 3.71Å; K251-E283 PolarHBondContact NZ-OE1 2.93Å; K251-E283 WeakPolarHBondContact O-CA 3.36Å; Q278-E283 WeakPolarHBondContact CB-OE2 3.43Å; Q278-E283 PolarHBondContact N-OE2 3.06Å; N279-E283 WeakPolarHBondContact CB-OE1 3.47Å; N279-E283 PolarHBondContact N-OE2 3.12Å; N279-E283 PolarHBondContact ND2-OE1 2.82Å; N280-E283 WeakPolarHBondContact O-CB 3.46Å; N280-E283 PolarHBondContact O-N 3.25Å; N280-E283 WeakPolarHBondContact OD1-CG 3.15Å; N280-E283 PolarHBondContact OD1-N 2.87Å; L281-E283 PolarHBondContact O-N 3.01Å; E283-S286 WeakPolarHBondContact O-CB 3.36Å; E283-S286 PolarHBondContact O-N 2.89Å; E283-L287 WeakPolarHBondContact O-CG 3.46Å; E283-L287 PolarHBondContact O-N 2.77Å
284	L	73.8	Confident	76.2	Confident	11 Å²	11	23 Å²	23	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-46.9	177.8	-166	62.5	0	0	0	112	L277 L281 V282 S286 L287 M288 M318 V589	L277-L284 HydrophobicContact CD1-CB 3.82Å; L277-L284 HydrophobicContact CD1-CD2 4.38Å; L281-L284 HydrophobicContact CD2-CD2 4.34Å; L281-L284 WeakPolarHBondContact O-CA 3.2Å; L281-L284 WeakPolarHBondContact O-CB 3.49Å; L281-L284 PolarHBondContact O-N 3.02Å; V282-L284 VanDerWaalsContact C-N 3.3Å; L284-S286 VanDerWaalsContact C-N 3.25Å; L284-S286 PolarHBondContact O-N 3.37Å; L284-L287 PolarHBondContact O-N 3.46Å; L284-L287 VanDerWaalsContact O-N 3.14Å; L284-M288 WeakPolarHBondContact O-CG 3.38Å; L284-M288 PolarHBondContact O-N 2.8Å; L284-M318 HydrophobicContact CD1-CE 3.34Å; L284-M318 HydrophobicContact CD1-CG 4.38Å; L284-M318 HydrophobicContact CD1-SD 3.39Å; L284-M318 WeakPolarHBondContact CD1-SD 3.37Å; L284-M318 HydrophobicContact CD2-CE 4.4Å; L284-M318 HydrophobicContact CD2-CG 3.75Å; L284-M318 HydrophobicContact CD2-SD 3.77Å; L284-M318 HydrophobicContact CG-CE 4.13Å; L284-M318 HydrophobicContact CG-CG 4.19Å; L284-M318 HydrophobicContact CG-SD 3.5Å; L284-M318 VanDerWaalsContact CG-SD 3.5Å; L284-V589 HydrophobicContact CD2-CG1 4.23Å
285	V	74.1	Confident	76.3	Confident	15 Å²	15	23.7 Å²	23.7	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-56.1	-44.4	174.4	-179.8	0	0	0	0	110.8	L281 V282 L287 M288 H289 L303 L307	L281-V285 WeakPolarHBondContact O-CG2 3.28Å; L281-V285 PolarHBondContact O-N 3.26Å; L281-V285 VanDerWaalsContact O-N 3.1Å; V282-V285 PolarHBondContact O-N 3.48Å; V285-L287 VanDerWaalsContact C-N 3.3Å; V285-L287 PolarHBondContact O-N 3.37Å; V285-M288 PolarHBondContact O-N 2.98Å; V285-H289 WeakPolarHBondContact O-CB 3.46Å; V285-H289 PolarHBondContact O-N 3.42Å; V285-L303 HydrophobicContact CG1-CB 3.46Å; V285-L303 VanDerWaalsContact CG1-CB 3.46Å; V285-L303 HydrophobicContact CG1-CD1 3.79Å; V285-L303 HydrophobicContact CG1-CD2 4.26Å; V285-L303 HydrophobicContact CG1-CG 4.03Å; V285-L307 HydrophobicContact CB-CD1 4.21Å; V285-L307 HydrophobicContact CG1-CD1 3.96Å; V285-L307 HydrophobicContact CG2-CB 3.94Å; V285-L307 HydrophobicContact CG2-CD1 3.32Å; V285-L307 HydrophobicContact CG2-CG 4.21Å
286	S	80.1	Confident	76.4	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.028	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-39.5	179.7	-60.2	0	0	0	0	111.4	Y258 V282 E283 L284 F290	Y258-S286 VanDerWaalsContact CE2-O 3.3Å; Y258-S286 WeakPolarHBondContact CE2-O 3.41Å; Y258-S286 PolarHBondContact OH-O 3.25Å; V282-S286 PolarHBondContact O-N 2.9Å; V282-S286 PolarHBondContact O-OG 3.28Å; E283-S286 WeakPolarHBondContact O-CB 3.36Å; E283-S286 PolarHBondContact O-N 2.89Å; L284-S286 VanDerWaalsContact C-N 3.25Å; L284-S286 PolarHBondContact O-N 3.37Å; S286-F290 WeakPolarHBondContact O-CB 3.47Å; S286-F290 PolarHBondContact O-N 2.82Å; S286-F290 VanDerWaalsContact O-N 3.15Å
287	L	82.1	Confident	76.5	Confident	7 Å²	7	25.3 Å²	25.3	4%	0.037	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-45.1	174.8	-64.1	176.1	0	0	0	111.5	A247 L250 L271 P276 E283 L284 V285 H289 F290 V291	A247-L287 WeakPolarHBondContact O-CD2 3.42Å; L250-L287 HydrophobicContact CB-CD2 3.95Å; L271-L287 HydrophobicContact CD1-CB 4.12Å; L271-L287 HydrophobicContact CD1-CD2 3.99Å; P276-L287 VanDerWaalsContact O-CD1 3.28Å; P276-L287 WeakPolarHBondContact O-CD1 3.47Å; E283-L287 WeakPolarHBondContact O-CG 3.46Å; E283-L287 PolarHBondContact O-N 2.77Å; L284-L287 PolarHBondContact O-N 3.46Å; L284-L287 VanDerWaalsContact O-N 3.14Å; V285-L287 VanDerWaalsContact C-N 3.3Å; V285-L287 PolarHBondContact O-N 3.37Å; L287-H289 PolarHBondContact O-N 3.39Å; L287-F290 WeakPolarHBondContact O-CA 3.43Å; L287-F290 VanDerWaalsContact O-CB 3.31Å; L287-F290 WeakPolarHBondContact O-CB 3.29Å; L287-F290 PolarHBondContact O-N 3.15Å; L287-V291 VanDerWaalsContact O-CG2 3.25Å; L287-V291 WeakPolarHBondContact O-CG2 3.34Å; L287-V291 PolarHBondContact O-N 3.43Å
288	M	78	Confident	76.1	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-44.2	178.5	-69.8	-54.5	-67.3	0	0	112.5	L284 V285 F290 V291 M292 F296 I317 M318 F321	L284-M288 WeakPolarHBondContact O-CG 3.38Å; L284-M288 PolarHBondContact O-N 2.8Å; V285-M288 PolarHBondContact O-N 2.98Å; M288-F290 PolarHBondContact O-N 3.3Å; M288-V291 PolarHBondContact O-N 3.29Å; M288-M292 HydrophobicContact CE-CE 3.36Å; M288-M292 PolarHBondContact O-N 3.4Å; M288-F296 HydrophobicContact CB-CE1 4.31Å; M288-F296 HydrophobicContact CB-CE2 4.02Å; M288-F296 HydrophobicContact CB-CZ 3.87Å; M288-F296 HydrophobicContact CE-CE2 4.34Å; M288-F296 HydrophobicContact CE-CZ 4.41Å; M288-I317 HydrophobicContact CE-CG2 4.02Å; M288-M318 HydrophobicContact CG-SD 3.82Å; M288-M318 HydrophobicContact SD-SD 3.67Å; M288-M318 VanDerWaalsContact SD-SD 3.67Å; M288-F321 HydrophobicContact CE-CB 3.84Å; M288-F321 HydrophobicContact CE-CD2 3.59Å; M288-F321 HydrophobicContact CE-CE2 4.48Å; M288-F321 HydrophobicContact CE-CG 3.96Å
289	H	82.7	Confident	76.1	Confident	30 Å²	30	31.5 Å²	31.5	14%	0.139	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-31.2	173.3	178.8	49.9	0	0	0	112.3	Y258 V285 L287 M292 P293 F296	Y258-H289 PolarHBondContact OH-CD2 3.02Å; V285-H289 WeakPolarHBondContact O-CB 3.46Å; V285-H289 PolarHBondContact O-N 3.42Å; L287-H289 PolarHBondContact O-N 3.39Å; H289-M292 CarbonylContact O-C 3.59Å; H289-P293 VanDerWaalsContact O-CA 3.3Å; H289-P293 WeakPolarHBondContact O-CA 3.23Å; H289-F296 HydrophobicContact CB-CB 3.95Å; H289-F296 HydrophobicContact CB-CG 4.44Å; H289-F296 WeakPolarHBondContact ND1-CB 3.47Å
290	F	85.9	Confident	75.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-73.8	-37.7	177.9	-167.7	-88.3	0	0	0	112.7	F244 L250 Y258 L261 M262 R269 L271 S286 L287 M288	F244-F290 HydrophobicContact CD1-CE1 4.2Å; F244-F290 HydrophobicContact CD1-CZ 4.28Å; F244-F290 AromaticContact CD2-CE1 3.89Å; F244-F290 HydrophobicContact CD2-CE1 3.89Å; F244-F290 AromaticContact CE1-CE1 3.84Å; F244-F290 HydrophobicContact CE1-CE1 3.84Å; F244-F290 AromaticContact CE1-CZ 3.63Å; F244-F290 HydrophobicContact CE1-CZ 3.63Å; F244-F290 AromaticContact CE2-CE1 3.53Å; F244-F290 HydrophobicContact CE2-CE1 3.53Å; F244-F290 HydrophobicContact CE2-CZ 4.07Å; F244-F290 HydrophobicContact CG-CE1 4.22Å; F244-F290 AromaticContact CZ-CE1 3.51Å; F244-F290 HydrophobicContact CZ-CE1 3.51Å; F244-F290 AromaticContact CZ-CZ 3.52Å; F244-F290 HydrophobicContact CZ-CZ 3.52Å; L250-F290 HydrophobicContact CD1-CD1 3.79Å; L250-F290 HydrophobicContact CD1-CD2 4.3Å; L250-F290 HydrophobicContact CD1-CE1 3.56Å; L250-F290 HydrophobicContact CD1-CE2 4.11Å; L250-F290 HydrophobicContact CD1-CG 4.15Å; L250-F290 HydrophobicContact CD1-CZ 3.74Å; L250-F290 HydrophobicContact CD2-CE2 4.22Å; L250-F290 HydrophobicContact CD2-CZ 4.39Å; Y258-F290 AromaticContact CD2-CD2 3.9Å; Y258-F290 HydrophobicContact CD2-CD2 3.9Å; Y258-F290 HydrophobicContact CE1-CD2 4.29Å; Y258-F290 HydrophobicContact CE2-CB 3.78Å; Y258-F290 AromaticContact CE2-CD2 3.58Å; Y258-F290 HydrophobicContact CE2-CD2 3.58Å; Y258-F290 HydrophobicContact CE2-CG 4.08Å; Y258-F290 HydrophobicContact CG-CD2 4.4Å; Y258-F290 AromaticContact CZ-CD2 3.79Å; Y258-F290 PolarHBondContact OH-N 2.84Å; L261-F290 HydrophobicContact CB-CE2 3.91Å; L261-F290 HydrophobicContact CB-CZ 3.91Å; M262-F290 HydrophobicContact CG-CD2 3.82Å; M262-F290 HydrophobicContact CG-CE2 3.91Å; M262-F290 HydrophobicContact SD-CB 4.33Å; M262-F290 HydrophobicContact SD-CD2 3.36Å; M262-F290 WeakPolarHBondContact SD-CD2 3.45Å; M262-F290 HydrophobicContact SD-CE2 3.83Å; M262-F290 HydrophobicContact SD-CG 4.02Å; R269-F290 WeakPolarHBondContact CD-O 3.07Å; R269-F290 PolarHBondContact NH1-O 2.96Å; L271-F290 HydrophobicContact CD1-CD1 4.49Å; L271-F290 HydrophobicContact CD2-CD1 3.9Å; L271-F290 HydrophobicContact CD2-CE1 4.09Å; S286-F290 WeakPolarHBondContact O-CB 3.47Å; S286-F290 PolarHBondContact O-N 2.82Å; S286-F290 VanDerWaalsContact O-N 3.15Å; L287-F290 WeakPolarHBondContact O-CA 3.43Å; L287-F290 VanDerWaalsContact O-CB 3.31Å; L287-F290 WeakPolarHBondContact O-CB 3.29Å; L287-F290 PolarHBondContact O-N 3.15Å; M288-F290 PolarHBondContact O-N 3.3Å
291	V	84	Confident	75.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-71.4	-44.8	179.9	176.8	0	0	0	0	110.4	S142 V144 L271 L287 M288 P293	S142-V291 VanDerWaalsContact C-CG1 3.49Å; S142-V291 WeakPolarHBondContact CB-O 3.31Å; S142-V291 PolarHBondContact OG-O 2.96Å; V144-V291 HydrophobicContact CG2-CG2 3.63Å; L271-V291 HydrophobicContact CD1-CG2 3.32Å; L271-V291 HydrophobicContact CG-CG2 3.61Å; L287-V291 VanDerWaalsContact O-CG2 3.25Å; L287-V291 WeakPolarHBondContact O-CG2 3.34Å; L287-V291 PolarHBondContact O-N 3.43Å; M288-V291 PolarHBondContact O-N 3.29Å; V291-P293 WeakPolarHBondContact O-CD 3.48Å
292	M	79.9	Confident	75.1	Confident	18 Å²	18	35 Å²	35	9%	0.089	19%	0.192	C	C	.	.			trans	-125.6	75.3	-178.3	-66.1	179.4	-77.1	0	0	110.4	V141 M288 H289 D294 L295 F296 F321	V141-M292 HydrophobicContact CG1-SD 4.48Å; M288-M292 HydrophobicContact CE-CE 3.36Å; M288-M292 PolarHBondContact O-N 3.4Å; H289-M292 CarbonylContact O-C 3.59Å; M292-D294 VanDerWaalsContact C-N 3.28Å; M292-D294 PolarHBondContact O-N 2.8Å; M292-L295 HydrophobicContact CB-CB 4.01Å; M292-L295 HydrophobicContact CE-CD2 4.17Å; M292-L295 PolarHBondContact O-N 2.96Å; M292-L295 HydrophobicContact SD-CD2 3.89Å; M292-F296 HydrophobicContact CB-CD2 4.11Å; M292-F296 HydrophobicContact CB-CE2 4.43Å; M292-F296 HydrophobicContact CE-CE2 3.92Å; M292-F296 WeakPolarHBondContact O-CD2 3.42Å; M292-F296 PolarHBondContact O-N 3.17Å; M292-F321 HydrophobicContact CE-CB 4.21Å; M292-F321 HydrophobicContact CE-CD1 3.57Å; M292-F321 HydrophobicContact CE-CD2 3.44Å; M292-F321 VanDerWaalsContact CE-CD2 3.44Å; M292-F321 HydrophobicContact CE-CE1 3.68Å; M292-F321 HydrophobicContact CE-CE2 3.58Å; M292-F321 HydrophobicContact CE-CG 3.45Å; M292-F321 VanDerWaalsContact CE-CG 3.45Å; M292-F321 HydrophobicContact CE-CZ 3.7Å; M292-F321 HydrophobicContact SD-CD1 3.74Å; M292-F321 HydrophobicContact SD-CD2 4.48Å; M292-F321 HydrophobicContact SD-CE1 3.44Å; M292-F321 WeakPolarHBondContact SD-CE1 3.38Å; M292-F321 HydrophobicContact SD-CE2 4.25Å; M292-F321 HydrophobicContact SD-CG 4.26Å; M292-F321 HydrophobicContact SD-CZ 3.73Å
293	P	81.2	Confident	74.6	Confident	30 Å²	30	34 Å²	34	20%	0.195	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-42.8	179.9	22.4	-32.8	0	0	0	111.8	M262 H289 V291 L295 F296 A297	M262-P293 HydrophobicContact CE-CB 3.76Å; H289-P293 VanDerWaalsContact O-CA 3.3Å; H289-P293 WeakPolarHBondContact O-CA 3.23Å; V291-P293 WeakPolarHBondContact O-CD 3.48Å; P293-L295 PolarHBondContact O-N 3.43Å; P293-F296 PolarHBondContact O-N 2.81Å; P293-A297 WeakPolarHBondContact O-CA 3.4Å; P293-A297 WeakPolarHBondContact O-CB 2.96Å; P293-A297 PolarHBondContact O-N 3.33Å
294	D	79.4	Confident	73.8	Confident	141 Å²	141	39 Å²	39	75%	0.754	21%	0.207	S	C	*	.	H	α-helix	trans	-67	-38.4	-173.1	-56.6	-38.5	0	0	0	112.9	M292	M292-D294 VanDerWaalsContact C-N 3.28Å; M292-D294 PolarHBondContact O-N 2.8Å
295	L	75.2	Confident	73.3	Confident	24 Å²	24	43.2 Å²	43.2	13%	0.126	23%	0.226	C	C	.	.	H	α-helix	trans	-69.5	-41.4	178.1	-172.6	67.3	0	0	0	111.4	L67 D70 I74 M292 P293 Y299	L67-L295 HydrophobicContact CD1-CD1 4.23Å; L67-L295 HydrophobicContact CD1-CD2 4.22Å; L67-L295 HydrophobicContact CD1-CG 3.75Å; D70-L295 HydrophobicContact CB-CD1 3.53Å; I74-L295 HydrophobicContact CD1-CD2 4.43Å; M292-L295 HydrophobicContact CB-CB 4.01Å; M292-L295 HydrophobicContact CE-CD2 4.17Å; M292-L295 PolarHBondContact O-N 2.96Å; M292-L295 HydrophobicContact SD-CD2 3.89Å; P293-L295 PolarHBondContact O-N 3.43Å; L295-Y299 VanDerWaalsContact O-CD2 3.31Å; L295-Y299 WeakPolarHBondContact O-CD2 3.27Å; L295-Y299 VanDerWaalsContact O-CE2 3.26Å; L295-Y299 WeakPolarHBondContact O-CE2 3.37Å
296	F	74.2	Confident	72.8	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-95.8	-13.1	-173.4	-75.7	-89.7	0	0	0	114.3	L67 M288 H289 M292 P293 K298 Y299 A300 L303 I317	L67-F296 HydrophobicContact CD1-CD1 4.28Å; L67-F296 HydrophobicContact CD1-CE1 4.07Å; L67-F296 HydrophobicContact CD1-CE2 4.5Å; L67-F296 HydrophobicContact CD1-CZ 4.18Å; L67-F296 HydrophobicContact CD2-CD1 4.16Å; L67-F296 HydrophobicContact CD2-CE1 3.72Å; L67-F296 HydrophobicContact CD2-CZ 4.4Å; L67-F296 HydrophobicContact CG-CE1 4.47Å; M288-F296 HydrophobicContact CB-CE1 4.31Å; M288-F296 HydrophobicContact CB-CE2 4.02Å; M288-F296 HydrophobicContact CB-CZ 3.87Å; M288-F296 HydrophobicContact CE-CE2 4.34Å; M288-F296 HydrophobicContact CE-CZ 4.41Å; H289-F296 HydrophobicContact CB-CB 3.95Å; H289-F296 HydrophobicContact CB-CG 4.44Å; H289-F296 WeakPolarHBondContact ND1-CB 3.47Å; M292-F296 HydrophobicContact CB-CD2 4.11Å; M292-F296 HydrophobicContact CB-CE2 4.43Å; M292-F296 HydrophobicContact CE-CE2 3.92Å; M292-F296 WeakPolarHBondContact O-CD2 3.42Å; M292-F296 PolarHBondContact O-N 3.17Å; P293-F296 PolarHBondContact O-N 2.81Å; F296-K298 PolarHBondContact O-N 3.41Å; F296-Y299 CarbonylContact O-C 3.58Å; F296-Y299 PolarHBondContact O-N 3.04Å; F296-A300 PolarHBondContact O-N 2.92Å; F296-L303 HydrophobicContact CB-CD1 4.15Å; F296-L303 HydrophobicContact CD1-CD1 3.71Å; F296-L303 HydrophobicContact CD1-CD2 3.65Å; F296-L303 HydrophobicContact CD1-CG 4.33Å; F296-L303 HydrophobicContact CE1-CD2 3.98Å; F296-L303 HydrophobicContact CG-CD1 4.41Å; F296-I317 HydrophobicContact CZ-CG2 4.4Å
297	A	71.1	Confident	71.9	Confident	58 Å²	58	43.2 Å²	43.2	48%	0.479	23%	0.225	S	C	.	.	H	α-helix	trans	-58.9	-38	-178.3	0	0	0	0	0	112	P293 Y299 A300	P293-A297 WeakPolarHBondContact O-CA 3.4Å; P293-A297 WeakPolarHBondContact O-CB 2.96Å; P293-A297 PolarHBondContact O-N 3.33Å; A297-Y299 PolarHBondContact O-N 3.07Å; A297-A300 PolarHBondContact O-N 2.92Å
298	K	67.6	Low	70.8	Confident	136 Å²	136	48 Å²	48	59%	0.591	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.7	175.6	-63.6	-178.9	-176	173.5	0	112.1	F296 H301	F296-K298 PolarHBondContact O-N 3.41Å; K298-H301 PolarHBondContact O-CE1 3.12Å; K298-H301 VanDerWaalsContact O-CE1 3.3Å
299	Y	65.5	Low	70	Confident	6 Å²	6	52 Å²	52	2%	0.024	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-4.9	-170	-48.9	-60	0	0	0	113.4	D63 T66 L67 L295 F296 A297 H301 N302 L303	D63-Y299 HydrophobicContact CB-CD1 3.57Å; D63-Y299 HydrophobicContact CB-CE1 3.67Å; D63-Y299 WeakPolarHBondContact O-CE1 3.34Å; D63-Y299 VanDerWaalsContact O-CZ 3.27Å; D63-Y299 PolarHBondContact O-OH 3.27Å; T66-Y299 WeakPolarHBondContact CB-OH 3.28Å; T66-Y299 VanDerWaalsContact CG2-OH 3.3Å; T66-Y299 WeakPolarHBondContact CG2-OH 3.31Å; L67-Y299 HydrophobicContact CB-CD2 3.89Å; L67-Y299 HydrophobicContact CB-CE2 3.49Å; L67-Y299 VanDerWaalsContact CB-CE2 3.49Å; L67-Y299 HydrophobicContact CD1-CD2 3.71Å; L67-Y299 HydrophobicContact CD1-CE2 3.59Å; L67-Y299 HydrophobicContact CD2-CD2 4.06Å; L67-Y299 HydrophobicContact CD2-CE2 4.47Å; L67-Y299 HydrophobicContact CG-CD2 4.08Å; L67-Y299 HydrophobicContact CG-CE2 4Å; L67-Y299 PolarHBondContact N-OH 3.27Å; L295-Y299 VanDerWaalsContact O-CD2 3.31Å; L295-Y299 WeakPolarHBondContact O-CD2 3.27Å; L295-Y299 VanDerWaalsContact O-CE2 3.26Å; L295-Y299 WeakPolarHBondContact O-CE2 3.37Å; F296-Y299 CarbonylContact O-C 3.58Å; F296-Y299 PolarHBondContact O-N 3.04Å; A297-Y299 PolarHBondContact O-N 3.07Å; Y299-H301 PolarHBondContact O-N 3.32Å; Y299-N302 PolarHBondContact O-N 3.43Å; Y299-L303 VanDerWaalsContact O-CG 3.28Å; Y299-L303 WeakPolarHBondContact O-CG 2.87Å; Y299-L303 PolarHBondContact O-N 2.93Å
300	A	62.2	Low	69.1	Low	52 Å²	52	52.8 Å²	52.8	43%	0.43	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-33	-167.4	0	0	0	0	0	115.4	F296 A297	F296-A300 PolarHBondContact O-N 2.92Å; A297-A300 PolarHBondContact O-N 2.92Å
301	H	64.1	Low	68.2	Low	141 Å²	141	56 Å²	56	65%	0.653	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.3	179.9	59.7	-72.5	0	0	0	113.5	K298 Y299	K298-H301 PolarHBondContact O-CE1 3.12Å; K298-H301 VanDerWaalsContact O-CE1 3.3Å; Y299-H301 PolarHBondContact O-N 3.32Å
302	N	64	Low	67.4	Low	7 Å²	7	60.7 Å²	60.7	4%	0.037	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-20.7	-168.2	-80.4	-5.5	0	0	0	113.4	L60 D63 Y299 K304 E305 L306	L60-N302 HydrophobicContact CD2-CB 3.22Å; L60-N302 WeakPolarHBondContact CD2-ND2 3.39Å; L60-N302 WeakPolarHBondContact CD2-OD1 3.29Å; D63-N302 PolarHBondContact OD2-ND2 2.74Å; Y299-N302 PolarHBondContact O-N 3.43Å; N302-K304 PolarHBondContact O-N 2.71Å; N302-E305 PolarHBondContact O-N 3.23Å; N302-E305 VanDerWaalsContact O-N 3.13Å; N302-L306 HydrophobicContact CB-CD1 4.11Å; N302-L306 PolarHBondContact O-N 2.67Å; N302-L306 VanDerWaalsContact O-N 3.1Å
303	L	63.8	Low	66.7	Low	6 Å²	6	62.7 Å²	62.7	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-56	-32.2	-169.7	-78.9	164.9	0	0	0	114.9	L67 V285 F296 Y299 L307	L67-L303 HydrophobicContact CD2-CD2 4.05Å; V285-L303 HydrophobicContact CG1-CB 3.46Å; V285-L303 VanDerWaalsContact CG1-CB 3.46Å; V285-L303 HydrophobicContact CG1-CD1 3.79Å; V285-L303 HydrophobicContact CG1-CD2 4.26Å; V285-L303 HydrophobicContact CG1-CG 4.03Å; F296-L303 HydrophobicContact CB-CD1 4.15Å; F296-L303 HydrophobicContact CD1-CD1 3.71Å; F296-L303 HydrophobicContact CD1-CD2 3.65Å; F296-L303 HydrophobicContact CD1-CG 4.33Å; F296-L303 HydrophobicContact CE1-CD2 3.98Å; F296-L303 HydrophobicContact CG-CD1 4.41Å; Y299-L303 VanDerWaalsContact O-CG 3.28Å; Y299-L303 WeakPolarHBondContact O-CG 2.87Å; Y299-L303 PolarHBondContact O-N 2.93Å; L303-L307 HydrophobicContact CB-CD1 4.47Å; L303-L307 HydrophobicContact CD2-CD1 3.79Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 PolarHBondContact O-N 3.28Å
304	K	61.9	Low	65.9	Low	121 Å²	121	61.8 Å²	61.8	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-46.4	-179.2	-173.3	-177.9	174	-160.7	0	111.1	V282 N302 E308	V282-K304 HydrophobicContact CB-CG 4.48Å; V282-K304 HydrophobicContact CG1-CB 4.48Å; V282-K304 HydrophobicContact CG1-CD 4.14Å; V282-K304 HydrophobicContact CG1-CG 3.91Å; V282-K304 HydrophobicContact CG2-CD 4.24Å; V282-K304 HydrophobicContact CG2-CG 3.73Å; N302-K304 PolarHBondContact O-N 2.71Å; K304-E308 WeakPolarHBondContact O-CG 3.01Å; K304-E308 PolarHBondContact O-N 3.15Å
305	E	63.2	Low	65.4	Low	98 Å²	98	57 Å²	57	46%	0.458	29%	0.294	S	S	.	.	H	α-helix	trans	-76.8	-36.8	-177.9	-63.6	-177.2	176.5	0	0	111.5	N302 L307	N302-E305 PolarHBondContact O-N 3.23Å; N302-E305 VanDerWaalsContact O-N 3.13Å; E305-L307 PolarHBondContact O-N 3.3Å
306	L	62.5	Low	65.1	Low	8 Å²	8	64 Å²	64	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-52	-55	173.8	-112.7	69.3	0	0	0	112.2	L60 M64 N302 S309	L60-L306 HydrophobicContact CB-CD1 3.68Å; L60-L306 HydrophobicContact CD2-CD1 3.37Å; L60-L306 HydrophobicContact CG-CD1 4.15Å; L60-L306 WeakPolarHBondContact O-CD1 3.24Å; M64-L306 HydrophobicContact CB-CD2 3.4Å; M64-L306 HydrophobicContact CB-CG 3.73Å; M64-L306 HydrophobicContact CG-CD2 3.55Å; M64-L306 HydrophobicContact CG-CG 3.89Å; M64-L306 HydrophobicContact SD-CG 4.46Å; N302-L306 HydrophobicContact CB-CD1 4.11Å; N302-L306 PolarHBondContact O-N 2.67Å; N302-L306 VanDerWaalsContact O-N 3.1Å; L306-S309 PolarHBondContact O-N 2.91Å; L306-S309 PolarHBondContact O-OG 3.21Å
307	L	60.4	Low	64.9	Low	11 Å²	11	64.4 Å²	64.4	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-88.1	-21.9	-163	-73.3	158.4	0	0	0	113	V285 L303 E305 S309 K310 A314	V285-L307 HydrophobicContact CB-CD1 4.21Å; V285-L307 HydrophobicContact CG1-CD1 3.96Å; V285-L307 HydrophobicContact CG2-CB 3.94Å; V285-L307 HydrophobicContact CG2-CD1 3.32Å; V285-L307 HydrophobicContact CG2-CG 4.21Å; L303-L307 HydrophobicContact CB-CD1 4.47Å; L303-L307 HydrophobicContact CD2-CD1 3.79Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 PolarHBondContact O-N 3.28Å; E305-L307 PolarHBondContact O-N 3.3Å; L307-S309 PolarHBondContact O-N 3.26Å; L307-K310 PolarHBondContact O-N 3.48Å; L307-A314 HydrophobicContact CD2-CB 3.64Å
308	E	60.6	Low	64.8	Low	109 Å²	109	62.7 Å²	62.7	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-31	169.9	-77.3	-179.5	-173.9	0	0	111.7	V282 K304	V282-E308 WeakPolarHBondContact CG2-OE1 3.3Å; K304-E308 WeakPolarHBondContact O-CG 3.01Å; K304-E308 PolarHBondContact O-N 3.15Å
309	S	61.4	Low	64.9	Low	92 Å²	92	61.5 Å²	61.5	64%	0.643	30%	0.299	S	S	*	.	S	Bend	trans	-83.2	-18	179.9	75.7	0	0	0	0	114.8	L306 L307	L306-S309 PolarHBondContact O-N 2.91Å; L306-S309 PolarHBondContact O-OG 3.21Å; L307-S309 PolarHBondContact O-N 3.26Å
310	K	63.8	Low	65.1	Low	46 Å²	46	61.9 Å²	61.9	20%	0.2	30%	0.301	C	S	.	.			trans	-138.2	60.6	-162.4	-84.1	-176.9	176.5	-176.5	0	112.4	M64 L307 E312 Q313 A314	M64-K310 HydrophobicContact CE-CD 3.37Å; M64-K310 HydrophobicContact SD-CB 4.12Å; M64-K310 HydrophobicContact SD-CD 3.17Å; M64-K310 WeakPolarHBondContact SD-CD 3.47Å; M64-K310 HydrophobicContact SD-CG 4.26Å; L307-K310 PolarHBondContact O-N 3.48Å; K310-E312 VanDerWaalsContact C-N 3.33Å; K310-E312 PolarHBondContact O-N 3Å; K310-Q313 HydrophobicContact CB-CB 4.39Å; K310-Q313 HydrophobicContact CB-CG 4.48Å; K310-Q313 PolarHBondContact O-N 3.09Å; K310-Q313 PolarHBondContact O-OE1 3.2Å; K310-A314 PolarHBondContact O-N 3.44Å
311	I	65.9	Low	65.8	Low	66 Å²	66	59.4 Å²	59.4	34%	0.338	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-40.9	-176	-54.2	-174.9	0	0	0	112	L281 Q313 A314 K315 V589	L281-I311 HydrophobicContact CD1-CB 4.47Å; L281-I311 HydrophobicContact CD1-CD1 3.91Å; L281-I311 HydrophobicContact CD1-CG1 3.66Å; L281-I311 HydrophobicContact CD1-CG2 4.36Å; I311-Q313 PolarHBondContact O-N 2.86Å; I311-A314 WeakPolarHBondContact O-CB 3.49Å; I311-A314 PolarHBondContact O-N 3.31Å; I311-K315 WeakPolarHBondContact O-CG 3.48Å; I311-K315 PolarHBondContact O-N 3.14Å; I311-V589 HydrophobicContact CG2-CG2 4.48Å
312	E	66.5	Low	66.4	Low	101 Å²	101	53.6 Å²	53.6	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-38.8	-178.1	-69.1	-53	133.4	0	0	112.6	K310 K315 R316	K310-E312 VanDerWaalsContact C-N 3.33Å; K310-E312 PolarHBondContact O-N 3Å; E312-K315 PolarHBondContact O-N 3.29Å; E312-K315 WeakPolarHBondContact OE1-CE 3.45Å; E312-K315 IonicContact OE1-NZ 3.83Å; E312-K315 PolarHBondContact OE1-NZ 3.04Å; E312-K315 IonicContact OE2-NZ 3.47Å; E312-R316 PolarHBondContact O-N 3.07Å
313	Q	65.9	Low	67	Low	60 Å²	60	54 Å²	54	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-41.7	174.1	-67.5	90	-16.1	0	0	111.2	L68 K310 I311 K315 R316 I317	L68-Q313 HydrophobicContact CD1-CB 4.06Å; L68-Q313 HydrophobicContact CD1-CG 3.82Å; L68-Q313 HydrophobicContact CD2-CB 4.09Å; K310-Q313 HydrophobicContact CB-CB 4.39Å; K310-Q313 HydrophobicContact CB-CG 4.48Å; K310-Q313 PolarHBondContact O-N 3.09Å; K310-Q313 PolarHBondContact O-OE1 3.2Å; I311-Q313 PolarHBondContact O-N 2.86Å; Q313-K315 VanDerWaalsContact C-N 3.31Å; Q313-K315 PolarHBondContact O-N 3.18Å; Q313-R316 PolarHBondContact O-N 2.8Å; Q313-I317 PolarHBondContact O-N 3.02Å
314	A	65.7	Low	67.5	Low	11 Å²	11	56.3 Å²	56.3	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-42.1	175.2	0	0	0	0	0	111.9	L307 K310 I311 R316 I317 M318	L307-A314 HydrophobicContact CD2-CB 3.64Å; K310-A314 PolarHBondContact O-N 3.44Å; I311-A314 WeakPolarHBondContact O-CB 3.49Å; I311-A314 PolarHBondContact O-N 3.31Å; A314-R316 PolarHBondContact O-N 3.04Å; A314-I317 PolarHBondContact O-N 2.8Å; A314-M318 WeakPolarHBondContact O-CB 3.24Å; A314-M318 VanDerWaalsContact O-CG 3.23Å; A314-M318 WeakPolarHBondContact O-CG 3.19Å; A314-M318 PolarHBondContact O-N 3.41Å
315	K	68.8	Low	68.1	Low	39 Å²	39	51.1 Å²	51.1	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-40.8	177.1	-70.7	178.4	-174.4	174	0	112.8	I311 E312 Q313 M318 K319 K588 V589	I311-K315 WeakPolarHBondContact O-CG 3.48Å; I311-K315 PolarHBondContact O-N 3.14Å; E312-K315 PolarHBondContact O-N 3.29Å; E312-K315 WeakPolarHBondContact OE1-CE 3.45Å; E312-K315 IonicContact OE1-NZ 3.83Å; E312-K315 PolarHBondContact OE1-NZ 3.04Å; E312-K315 IonicContact OE2-NZ 3.47Å; Q313-K315 VanDerWaalsContact C-N 3.31Å; Q313-K315 PolarHBondContact O-N 3.18Å; K315-M318 WeakPolarHBondContact O-CB 3.29Å; K315-M318 PolarHBondContact O-N 3.06Å; K315-K319 PolarHBondContact O-N 3.13Å; K315-K588 WeakPolarHBondContact CE-O 3.46Å; K315-K588 PolarHBondContact NZ-O 2.9Å; K315-K588 VanDerWaalsContact NZ-O 3.14Å; K315-V589 HydrophobicContact CG-CG1 4.43Å
316	R	68.2	Low	68.5	Low	172 Å²	172	49.4 Å²	49.4	65%	0.649	24%	0.236	S	C	*	.	H	α-helix	trans	-62.2	-48.4	178.3	-70.8	-179.1	-178.8	-171.4	-1.3	111.4	E312 Q313 A314 M318 K319	E312-R316 PolarHBondContact O-N 3.07Å; Q313-R316 PolarHBondContact O-N 2.8Å; A314-R316 PolarHBondContact O-N 3.04Å; R316-M318 VanDerWaalsContact C-N 3.3Å; R316-M318 PolarHBondContact O-N 3.01Å; R316-K319 PolarHBondContact O-N 3.07Å
317	I	69.2	Low	68.9	Low	13 Å²	13	49.6 Å²	49.6	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-46.7	176.4	-63.1	166.6	0	0	0	110.1	L68 C71 M288 F296 Q313 A314 K319 T320 F321	L68-I317 HydrophobicContact CD2-CD1 3.44Å; L68-I317 VanDerWaalsContact CD2-CD1 3.44Å; L68-I317 HydrophobicContact CD2-CG1 3.67Å; L68-I317 HydrophobicContact CG-CD1 4.47Å; C71-I317 HydrophobicContact CB-CG1 4.2Å; M288-I317 HydrophobicContact CE-CG2 4.02Å; F296-I317 HydrophobicContact CZ-CG2 4.4Å; Q313-I317 PolarHBondContact O-N 3.02Å; A314-I317 PolarHBondContact O-N 2.8Å; I317-K319 VanDerWaalsContact C-N 3.31Å; I317-K319 PolarHBondContact O-N 2.93Å; I317-T320 PolarHBondContact O-N 2.74Å; I317-F321 HydrophobicContact CG2-CD2 4.04Å; I317-F321 HydrophobicContact CG2-CE2 4.04Å; I317-F321 WeakPolarHBondContact O-CD2 3.32Å
318	M	70	Confident	69.2	Low	22 Å²	22	53.5 Å²	53.5	11%	0.108	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-41.5	-180	-78.1	-61.2	-56.5	0	0	113.4	L284 M288 A314 K315 R316 T320 F321 T322	L284-M318 HydrophobicContact CD1-CE 3.34Å; L284-M318 HydrophobicContact CD1-CG 4.38Å; L284-M318 HydrophobicContact CD1-SD 3.39Å; L284-M318 WeakPolarHBondContact CD1-SD 3.37Å; L284-M318 HydrophobicContact CD2-CE 4.4Å; L284-M318 HydrophobicContact CD2-CG 3.75Å; L284-M318 HydrophobicContact CD2-SD 3.77Å; L284-M318 HydrophobicContact CG-CE 4.13Å; L284-M318 HydrophobicContact CG-CG 4.19Å; L284-M318 HydrophobicContact CG-SD 3.5Å; L284-M318 VanDerWaalsContact CG-SD 3.5Å; M288-M318 HydrophobicContact CG-SD 3.82Å; M288-M318 HydrophobicContact SD-SD 3.67Å; M288-M318 VanDerWaalsContact SD-SD 3.67Å; A314-M318 WeakPolarHBondContact O-CB 3.24Å; A314-M318 VanDerWaalsContact O-CG 3.23Å; A314-M318 WeakPolarHBondContact O-CG 3.19Å; A314-M318 PolarHBondContact O-N 3.41Å; K315-M318 WeakPolarHBondContact O-CB 3.29Å; K315-M318 PolarHBondContact O-N 3.06Å; R316-M318 VanDerWaalsContact C-N 3.3Å; R316-M318 PolarHBondContact O-N 3.01Å; M318-T320 PolarHBondContact O-N 3.32Å; M318-F321 PolarHBondContact O-N 2.6Å; M318-T322 HydrophobicContact CE-CG2 4Å; M318-T322 WeakPolarHBondContact CE-OG1 3.46Å; M318-T322 WeakPolarHBondContact O-CA 3.34Å; M318-T322 WeakPolarHBondContact O-CB 3.36Å; M318-T322 PolarHBondContact O-N 3.01Å; M318-T322 PolarHBondContact O-OG1 3.12Å
319	K	69.6	Low	69.6	Low	111 Å²	111	54.1 Å²	54.1	48%	0.483	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-29.5	-176.8	-169.3	177.9	-179.5	180	0	112.7	K315 R316 I317 G599	K315-K319 PolarHBondContact O-N 3.13Å; R316-K319 PolarHBondContact O-N 3.07Å; I317-K319 VanDerWaalsContact C-N 3.31Å; I317-K319 PolarHBondContact O-N 2.93Å; K319-G599 VanDerWaalsContact CE-CA 3.44Å
320	T	70.1	Confident	69.7	Low	14 Å²	14	51.2 Å²	51.2	9%	0.086	25%	0.246	C	C	.	.	H	α-helix	trans	-75.7	-43.3	179.9	-52.5	0	0	0	0	112	A75 L78 I317 M318	A75-T320 HydrophobicContact CB-CG2 3.8Å; L78-T320 HydrophobicContact CD1-CG2 3.4Å; I317-T320 PolarHBondContact O-N 2.74Å; M318-T320 PolarHBondContact O-N 3.32Å
321	F	75.3	Confident	69.7	Low	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-101.7	-8.3	-170.9	-56.3	-72.9	0	0	0	114.4	C71 I74 V141 V144 M288 M292 I317 M318	C71-F321 HydrophobicContact CB-CE2 4.44Å; I74-F321 HydrophobicContact CB-CZ 4.29Å; I74-F321 HydrophobicContact CD1-CE1 4.47Å; I74-F321 HydrophobicContact CD1-CZ 4.1Å; I74-F321 HydrophobicContact CG2-CE1 3.86Å; I74-F321 HydrophobicContact CG2-CZ 4.04Å; V141-F321 HydrophobicContact CG1-CD1 3.59Å; V141-F321 HydrophobicContact CG1-CE1 3.54Å; V144-F321 PolarHBondContact N-O 3Å; M288-F321 HydrophobicContact CE-CB 3.84Å; M288-F321 HydrophobicContact CE-CD2 3.59Å; M288-F321 HydrophobicContact CE-CE2 4.48Å; M288-F321 HydrophobicContact CE-CG 3.96Å; M292-F321 HydrophobicContact CE-CB 4.21Å; M292-F321 HydrophobicContact CE-CD1 3.57Å; M292-F321 HydrophobicContact CE-CD2 3.44Å; M292-F321 VanDerWaalsContact CE-CD2 3.44Å; M292-F321 HydrophobicContact CE-CE1 3.68Å; M292-F321 HydrophobicContact CE-CE2 3.58Å; M292-F321 HydrophobicContact CE-CG 3.45Å; M292-F321 VanDerWaalsContact CE-CG 3.45Å; M292-F321 HydrophobicContact CE-CZ 3.7Å; M292-F321 HydrophobicContact SD-CD1 3.74Å; M292-F321 HydrophobicContact SD-CD2 4.48Å; M292-F321 HydrophobicContact SD-CE1 3.44Å; M292-F321 WeakPolarHBondContact SD-CE1 3.38Å; M292-F321 HydrophobicContact SD-CE2 4.25Å; M292-F321 HydrophobicContact SD-CG 4.26Å; M292-F321 HydrophobicContact SD-CZ 3.73Å; I317-F321 HydrophobicContact CG2-CD2 4.04Å; I317-F321 HydrophobicContact CG2-CE2 4.04Å; I317-F321 WeakPolarHBondContact O-CD2 3.32Å; M318-F321 PolarHBondContact O-N 2.6Å
322	T	77	Confident	69.7	Low	19 Å²	19	56.2 Å²	56.2	12%	0.117	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.1	-178	-54.4	0	0	0	0	111.1	V144 A146 M318	V144-T322 HydrophobicContact CB-CG2 4.06Å; V144-T322 HydrophobicContact CG1-CG2 3.99Å; V144-T322 VanDerWaalsContact O-CA 3.3Å; V144-T322 WeakPolarHBondContact O-CA 3.42Å; A146-T322 HydrophobicContact CB-CG2 3.75Å; M318-T322 HydrophobicContact CE-CG2 4Å; M318-T322 WeakPolarHBondContact CE-OG1 3.46Å; M318-T322 WeakPolarHBondContact O-CA 3.34Å; M318-T322 WeakPolarHBondContact O-CB 3.36Å; M318-T322 PolarHBondContact O-N 3.01Å; M318-T322 PolarHBondContact O-OG1 3.12Å
323	L	77.3	Confident	69.8	Low	14 Å²	14	60.4 Å²	60.4	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.2	168.5	-176.1	67.9	0	0	0	108.5	W132 V144 L145 A146 F602	W132-L323 HydrophobicContact CB-CD2 4.18Å; W132-L323 HydrophobicContact CD2-CB 3.79Å; W132-L323 HydrophobicContact CD2-CD2 3.91Å; W132-L323 HydrophobicContact CD2-CG 4.33Å; W132-L323 HydrophobicContact CE3-CB 3.63Å; W132-L323 HydrophobicContact CE3-CD2 3.72Å; W132-L323 HydrophobicContact CE3-CG 4.29Å; W132-L323 HydrophobicContact CG-CD2 4.13Å; W132-L323 HydrophobicContact CH2-CB 3.61Å; W132-L323 HydrophobicContact CZ2-CB 3.76Å; W132-L323 HydrophobicContact CZ3-CB 3.54Å; W132-L323 HydrophobicContact CZ3-CD2 4.39Å; V144-L323 PolarHBondContact O-N 3.21Å; L145-L323 HydrophobicContact CD1-CB 4.09Å; L145-L323 HydrophobicContact CD1-CD2 3.82Å; L145-L323 HydrophobicContact CD1-CG 4.28Å; A146-L323 WeakPolarHBondContact CA-O 3.49Å; A146-L323 PolarHBondContact N-O 3.21Å; L323-F602 HydrophobicContact CD1-CD2 3.66Å; L323-F602 HydrophobicContact CD1-CE2 3.64Å
324	R	74.8	Confident	70.4	Confident	55 Å²	55	59.1 Å²	59.1	21%	0.208	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132	174.9	-178.5	174.2	178.3	142.4	8.9	110.2	A146 E586 T590	A146-R324 HydrophobicContact CB-CB 4.1Å; A146-R324 HydrophobicContact CB-CG 4.39Å; A146-R324 WeakPolarHBondContact O-CA 3.13Å; A146-R324 WeakPolarHBondContact O-CG 3.41Å; R324-E586 IonicContact CZ-OE1 2.77Å; R324-E586 VanDerWaalsContact CZ-OE1 3.29Å; R324-E586 IonicContact NH1-OE1 3.84Å; R324-E586 PolarHBondContact NH1-OE1 2.97Å; R324-E586 IonicContact NH2-OE1 3.33Å; R324-E586 PolarHBondContact NH2-OE1 3.09Å; R324-T590 VanDerWaalsContact NH1-CB 3.31Å; R324-T590 PolarHBondContact NH1-OG1 3.49Å; R324-T590 VanDerWaalsContact NH1-OG1 3.1Å
325	R	73.1	Confident	71.4	Confident	13 Å²	13	59.6 Å²	59.6	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.3	175	-65.8	175.6	-73.4	-161.3	-4.4	109.6	Y125 D147 E148 V330 F602	Y125-R325 PolarHBondContact O-NH1 3.49Å; D147-R325 IonicContact OD1-CZ 3.45Å; D147-R325 VanDerWaalsContact OD1-CZ 3.24Å; D147-R325 IonicContact OD1-NE 2.73Å; D147-R325 PolarHBondContact OD1-NE 3.25Å; D147-R325 IonicContact OD1-NH2 3.57Å; D147-R325 PolarHBondContact OD1-NH2 3.39Å; D147-R325 IonicContact OD2-CZ 3.45Å; D147-R325 IonicContact OD2-NE 2.86Å; D147-R325 IonicContact OD2-NH2 3.59Å; D147-R325 PolarHBondContact OD2-NH2 3.4Å; E148-R325 PolarHBondContact N-O 3.48Å; R325-V330 HydrophobicContact CB-CG2 3.86Å; R325-F602 HydrophobicContact CG-CE2 4.08Å; R325-F602 HydrophobicContact CG-CZ 4.22Å
326	L	72.6	Confident	72.4	Confident	61 Å²	61	64.1 Å²	64.1	32%	0.319	31%	0.308	S	S	.	.			trans	-91.3	148.9	177.6	-60	175	0	0	0	111	E148 S328 E329 V330	E148-L326 WeakPolarHBondContact OE2-CA 3.46Å; L326-S328 PolarHBondContact O-N 3.3Å; L326-E329 HydrophobicContact CB-CG 4.06Å; L326-E329 PolarHBondContact N-OE2 3.27Å; L326-E329 WeakPolarHBondContact O-CB 3.49Å; L326-E329 PolarHBondContact O-N 2.92Å; L326-V330 VanDerWaalsContact O-CG2 3.26Å; L326-V330 WeakPolarHBondContact O-CG2 3.48Å; L326-V330 PolarHBondContact O-N 3.33Å
327	K	70.5	Confident	73.5	Confident	13 Å²	13	59.3 Å²	59.3	6%	0.057	29%	0.292	C	S	.	.	H	α-helix	trans	-55	-40.3	175.9	-80.6	177.3	179.3	-173	0	111.9	E148 M149 E329 V330 L331 D549 H552	E148-K327 HydrophobicContact CB-CG 3.97Å; E148-K327 HydrophobicContact CG-CD 3.93Å; E148-K327 HydrophobicContact CG-CG 3.76Å; E148-K327 PolarHBondContact OE2-N 3.44Å; M149-K327 WeakPolarHBondContact O-CE 3.41Å; M149-K327 PolarHBondContact O-NZ 2.98Å; M149-K327 VanDerWaalsContact O-NZ 3.08Å; K327-E329 PolarHBondContact O-N 3.1Å; K327-V330 PolarHBondContact O-N 3.42Å; K327-V330 VanDerWaalsContact O-N 3.16Å; K327-L331 PolarHBondContact O-N 3.45Å; K327-D549 IonicContact NZ-OD1 2.64Å; K327-D549 PolarHBondContact NZ-OD1 3.17Å; K327-D549 IonicContact NZ-OD2 3.16Å; K327-H552 PolarHBondContact NZ-O 3.21Å
328	S	68.1	Low	74.7	Confident	93 Å²	93	61.9 Å²	61.9	65%	0.65	30%	0.303	S	S	*	.	H	α-helix	trans	-63.6	-26.7	178.4	55.1	0	0	0	0	113.7	L326	L326-S328 PolarHBondContact O-N 3.3Å
329	E	67.2	Low	75.9	Confident	122 Å²	122	65.7 Å²	65.7	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-85.7	-19	178.1	-62.2	173.9	141.1	0	0	112.5	L326 K327	L326-E329 HydrophobicContact CB-CG 4.06Å; L326-E329 PolarHBondContact N-OE2 3.27Å; L326-E329 WeakPolarHBondContact O-CB 3.49Å; L326-E329 PolarHBondContact O-N 2.92Å; K327-E329 PolarHBondContact O-N 3.1Å
330	V	64.1	Low	77.1	Confident	31 Å²	31	65.6 Å²	65.6	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-109.3	-33.4	-166.1	173.7	0	0	0	0	111.9	Y125 R325 L326 K327	Y125-V330 HydrophobicContact CD1-CG1 3.39Å; Y125-V330 HydrophobicContact CD2-CB 4.49Å; Y125-V330 HydrophobicContact CD2-CG1 3.45Å; Y125-V330 VanDerWaalsContact CD2-CG1 3.45Å; Y125-V330 HydrophobicContact CD2-CG2 4.15Å; Y125-V330 HydrophobicContact CE1-CG1 3.21Å; Y125-V330 HydrophobicContact CE2-CG1 3.35Å; Y125-V330 HydrophobicContact CG-CB 4.41Å; Y125-V330 HydrophobicContact CG-CG1 3.48Å; Y125-V330 VanDerWaalsContact CG-CG1 3.48Å; Y125-V330 HydrophobicContact CG-CG2 4.24Å; R325-V330 HydrophobicContact CB-CG2 3.86Å; L326-V330 VanDerWaalsContact O-CG2 3.26Å; L326-V330 WeakPolarHBondContact O-CG2 3.48Å; L326-V330 PolarHBondContact O-N 3.33Å; K327-V330 PolarHBondContact O-N 3.42Å; K327-V330 VanDerWaalsContact O-N 3.16Å
331	L	64.8	Low	78.4	Confident	26 Å²	26	68.6 Å²	68.6	14%	0.136	33%	0.333	C	S	.	.			trans	-128.3	77	-171.3	-60	173.1	0	0	0	109.7	A150 K327 Q333 L334 V554	A150-L331 HydrophobicContact CB-CD1 4.2Å; K327-L331 PolarHBondContact O-N 3.45Å; L331-Q333 PolarHBondContact O-N 2.65Å; L331-Q333 VanDerWaalsContact O-N 3.07Å; L331-L334 HydrophobicContact CB-CB 4.38Å; L331-L334 HydrophobicContact CB-CD1 3.73Å; L331-L334 HydrophobicContact CB-CG 3.77Å; L331-L334 HydrophobicContact CD1-CD1 3.34Å; L331-L334 HydrophobicContact CD1-CG 3.92Å; L331-L334 HydrophobicContact CG-CD1 4.15Å; L331-L334 HydrophobicContact CG-CG 4.44Å; L331-L334 PolarHBondContact O-N 2.69Å; L331-V554 HydrophobicContact CD1-CG2 3.75Å; L331-V554 HydrophobicContact CD2-CG2 3.94Å
332	E	65.5	Low	79.4	Confident	190 Å²	190	70.7 Å²	70.7	89%	0.888	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-17.7	173.8	-65.1	179.6	178.8	0	0	113
333	Q	68	Low	80.3	Confident	189 Å²	189	74.3 Å²	74.3	88%	0.883	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	1.4	-175.6	-64	179.1	-13.9	0	0	114.5	L331	L331-Q333 PolarHBondContact O-N 2.65Å; L331-Q333 VanDerWaalsContact O-N 3.07Å
334	L	78.6	Confident	81.3	Confident	33 Å²	33	73.8 Å²	73.8	17%	0.173	36%	0.358	C	S	.	.	S	Bend	trans	-74.4	136.4	177.2	-84.8	176.9	0	0	0	110.7	L331 R553	L331-L334 HydrophobicContact CB-CB 4.38Å; L331-L334 HydrophobicContact CB-CD1 3.73Å; L331-L334 HydrophobicContact CB-CG 3.77Å; L331-L334 HydrophobicContact CD1-CD1 3.34Å; L331-L334 HydrophobicContact CD1-CG 3.92Å; L331-L334 HydrophobicContact CG-CD1 4.15Å; L331-L334 HydrophobicContact CG-CG 4.44Å; L331-L334 PolarHBondContact O-N 2.69Å; L334-R553 WeakPolarHBondContact CD2-O 3.31Å
335	P	86.2	Confident	82.3	Confident	22 Å²	22	77.7 Å²	77.7	14%	0.143	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-56.3	159.3	170.1	-25.2	35.4	0	0	0	112.4	H552 Q556 K558 D559	P335-H552 PolarHBondContact O-NE2 2.78Å; P335-Q556 WeakPolarHBondContact CD-O 3.45Å; P335-Q556 HydrophobicContact CG-CG 4.21Å; P335-K558 VanDerWaalsContact CB-O 3.31Å; P335-K558 WeakPolarHBondContact CB-O 3.43Å; P335-D559 WeakPolarHBondContact CB-OD1 3.37Å
336	E	89.6	Confident	83.4	Confident	133 Å²	133	78.7 Å²	78.7	62%	0.621	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-69.3	150.1	-178.5	-69.1	-162.2	161.7	0	0	111.3	H338 D559 V560	E336-H338 IonicContact OE2-CE1 3.75Å; E336-H338 PolarHBondContact OE2-CE1 3.2Å; E336-H338 VanDerWaalsContact OE2-CE1 3.23Å; E336-H338 IonicContact OE2-NE2 3.5Å; E336-D559 PolarHBondContact N-OD1 3.26Å; E336-D559 WeakPolarHBondContact O-CA 3.42Å; E336-V560 PolarHBondContact O-N 3.02Å
337	K	91.5	Very high	84.4	Confident	71 Å²	71	77 Å²	77	31%	0.309	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.2	172.6	-172.2	175.9	74.4	164.7	0	109	E548 H552 V560 V562	K337-E548 IonicContact NZ-OE2 3.73Å; K337-E548 PolarHBondContact NZ-OE2 2.8Å; K337-H552 HydrophobicContact CD-CB 4.33Å; K337-V560 CarbonylContact C-O 3.56Å; K337-V560 WeakPolarHBondContact CA-O 3.05Å; K337-V560 HydrophobicContact CG-CB 4.47Å; K337-V562 HydrophobicContact CD-CG2 4.1Å; K337-V562 HydrophobicContact CG-CG2 4.13Å
338	H	94.5	Very high	85.5	Confident	67 Å²	67	85.1 Å²	85.1	31%	0.31	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.3	176.7	-54.1	-77.2	0	0	0	110	E336 V560 Y561 V562	E336-H338 IonicContact OE2-CE1 3.75Å; E336-H338 PolarHBondContact OE2-CE1 3.2Å; E336-H338 VanDerWaalsContact OE2-CE1 3.23Å; E336-H338 IonicContact OE2-NE2 3.5Å; H338-V560 PolarHBondContact N-O 3.41Å; H338-Y561 HydrophobicContact CB-CD1 3.83Å; H338-Y561 HydrophobicContact CB-CE1 4.13Å; H338-Y561 AromaticContact CD2-CD1 3.91Å; H338-Y561 AromaticContact CD2-CE1 3.47Å; H338-Y561 VanDerWaalsContact CD2-CE1 3.47Å; H338-Y561 WeakPolarHBondContact CD2-CE1 3.49Å; H338-Y561 AromaticContact CD2-CZ 3.98Å; H338-Y561 AromaticContact CG-CE1 3.96Å; H338-Y561 CarbonylContact O-C 3.57Å; H338-V562 PolarHBondContact O-N 3.43Å
339	E	94.7	Very high	86.5	Confident	103 Å²	103	84.5 Å²	84.5	48%	0.481	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.1	176.3	-174	179.9	156.3	0	0	109.6	V562 K564	E339-V562 WeakPolarHBondContact CA-O 3.34Å; E339-V562 HydrophobicContact CG-CB 4.42Å; E339-V562 HydrophobicContact CG-CG1 4.49Å; E339-K564 VanDerWaalsContact CD-NZ 3.28Å; E339-K564 WeakPolarHBondContact OE1-CD 3.23Å; E339-K564 WeakPolarHBondContact OE1-CE 3.32Å; E339-K564 IonicContact OE1-NZ 3.46Å; E339-K564 PolarHBondContact OE1-NZ 3.4Å; E339-K564 IonicContact OE2-NZ 2.9Å
340	R	95.8	Very high	87.8	Confident	108 Å²	108	78.8 Å²	78.8	41%	0.408	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.3	172.1	67	172.1	178	159.1	-8.7	112	E454 V562 I563 K564	R340-E454 IonicContact NH2-OE2 2.69Å; R340-V562 PolarHBondContact N-O 3.34Å; R340-I563 HydrophobicContact CG-CB 4.49Å; R340-I563 HydrophobicContact CG-CG1 4.04Å; R340-I563 HydrophobicContact CG-CG2 4.36Å; R340-I563 WeakPolarHBondContact O-CA 3.02Å; R340-K564 PolarHBondContact O-N 3.23Å
341	L	96.4	Very high	89.2	Confident	77 Å²	77	78.6 Å²	78.6	40%	0.403	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130	172.7	-56.2	178.1	0	0	0	108.7	K564 I566 L576	L341-K564 HydrophobicContact CD2-CB 3.88Å; L341-K564 HydrophobicContact CD2-CD 4.21Å; L341-K564 HydrophobicContact CD2-CG 4.39Å; L341-I566 HydrophobicContact CD2-CG1 4.44Å; L341-L576 HydrophobicContact CD1-CD2 3.71Å; L341-L576 HydrophobicContact CD2-CD1 4.36Å; L341-L576 HydrophobicContact CD2-CD2 4.2Å
342	E	97.2	Very high	90.6	Very high	45 Å²	45	81 Å²	81	21%	0.21	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	105.7	171.7	-173.2	70.3	-164.3	0	0	108.5	C344 A447 I451 I563 K564 L565 I566	E342-C344 PolarHBondContact O-N 3.34Å; E342-C344 PolarHBondContact O-SG 3.08Å; E342-C344 VanDerWaalsContact O-SG 3.41Å; E342-A447 HydrophobicContact CG-CB 4.08Å; E342-I451 HydrophobicContact CG-CD1 4.11Å; E342-I563 HydrophobicContact CB-CG2 3.99Å; E342-K564 PolarHBondContact N-O 3.14Å; E342-L565 HydrophobicContact CB-CD2 3.73Å; E342-L565 HydrophobicContact CG-CD2 4.04Å; E342-I566 PolarHBondContact O-N 3.48Å
343	L	96.8	Very high	91.9	Very high	94 Å²	94	73.2 Å²	73.2	49%	0.492	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	118.7	177	-66.2	174.9	0	0	0	109.6	I566	L343-I566 CarbonylContact C-O 3.54Å; L343-I566 WeakPolarHBondContact CA-O 3.47Å; L343-I566 HydrophobicContact CD2-CB 4.16Å; L343-I566 HydrophobicContact CD2-CG2 4.08Å
344	C	96.7	Very high	93.1	Very high	4 Å²	4	64.5 Å²	64.5	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.8	-176.2	-54.7	0	0	0	0	109.4	E342 A443 K444 A447 I566 A567 K568	E342-C344 PolarHBondContact O-N 3.34Å; E342-C344 PolarHBondContact O-SG 3.08Å; E342-C344 VanDerWaalsContact O-SG 3.41Å; C344-A443 HydrophobicContact CB-CB 3.94Å; C344-K444 HydrophobicContact CB-CG 4.32Å; C344-A447 VanDerWaalsContact SG-CB 3.58Å; C344-I566 PolarHBondContact N-O 3.4Å; C344-A567 WeakPolarHBondContact O-CA 3.13Å; C344-K568 PolarHBondContact O-N 2.94Å
345	E	96.2	Very high	93.8	Very high	136 Å²	136	67.8 Å²	67.8	64%	0.636	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-74.8	130.4	176.1	-59.5	-166.9	146.5	0	0	110.7	A443 K568	E345-A443 WeakPolarHBondContact O-CB 3.48Å; E345-K568 HydrophobicContact CG-CD 4.15Å; E345-K568 IonicContact OE1-NZ 3.24Å; E345-K568 PolarHBondContact OE1-NZ 2.89Å
346	L	95.6	Very high	94	Very high	35 Å²	35	71.5 Å²	71.5	18%	0.183	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-59.9	137.6	179.2	-65.4	-173	0	0	0	111.2	Q350 A351 Y354 A443 A567 T570	L346-Q350 HydrophobicContact CD2-CG 4.04Å; L346-A351 HydrophobicContact CB-CB 3.84Å; L346-A351 HydrophobicContact CD1-CB 4.23Å; L346-Y354 HydrophobicContact CD1-CD2 4.48Å; L346-Y354 HydrophobicContact CD1-CG 4.08Å; L346-A443 HydrophobicContact CD2-CB 4.3Å; L346-A567 HydrophobicContact CD2-CB 4.07Å; L346-T570 HydrophobicContact CD1-CG2 3.73Å; L346-T570 HydrophobicContact CD2-CG2 3.96Å; L346-T570 HydrophobicContact CG-CG2 4.03Å
347	T	95	Very high	94	Very high	24 Å²	24	66.5 Å²	66.5	15%	0.147	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-68.6	159.9	177.6	76.7	0	0	0	0	111.5	T349 Q350 A351 N441	T347-T349 PolarHBondContact O-N 3.25Å; T347-T349 PolarHBondContact OG1-OG1 2.87Å; T347-T349 VanDerWaalsContact OG1-OG1 3.07Å; T347-Q350 PolarHBondContact O-N 2.93Å; T347-Q350 VanDerWaalsContact OG1-CB 3.32Å; T347-Q350 WeakPolarHBondContact OG1-CB 3.37Å; T347-Q350 PolarHBondContact OG1-N 3.43Å; T347-A351 PolarHBondContact O-N 3.18Å; T347-N441 VanDerWaalsContact CB-OD1 3.32Å; T347-N441 WeakPolarHBondContact CB-OD1 3.5Å; T347-N441 WeakPolarHBondContact CG2-OD1 3.41Å; T347-N441 PolarHBondContact OG1-OD1 3.09Å
348	E	92.7	Very high	93.9	Very high	185 Å²	185	67.2 Å²	67.2	86%	0.864	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.2	178.6	-64.3	-178.8	177.9	0	0	113.3	P352	E348-P352 WeakPolarHBondContact O-CD 3.28Å; E348-P352 VanDerWaalsContact O-CG 3.23Å; E348-P352 WeakPolarHBondContact O-CG 3.45Å
349	T	89.7	Confident	93.5	Very high	80 Å²	80	67.3 Å²	67.3	49%	0.491	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-26.7	175.2	60	0	0	0	0	113.6	T347 N441	T347-T349 PolarHBondContact O-N 3.25Å; T347-T349 PolarHBondContact OG1-OG1 2.87Å; T347-T349 VanDerWaalsContact OG1-OG1 3.07Å; T349-N441 PolarHBondContact OG1-ND2 3.45Å; T349-N441 PolarHBondContact OG1-OD1 2.85Å
350	Q	94.1	Very high	92.9	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-83.9	-38.7	-175.7	-168.9	179.1	2.4	0	0	111.3	L346 T347 L353 Y354 A376 A377	L346-Q350 HydrophobicContact CD2-CG 4.04Å; T347-Q350 PolarHBondContact O-N 2.93Å; T347-Q350 VanDerWaalsContact OG1-CB 3.32Å; T347-Q350 WeakPolarHBondContact OG1-CB 3.37Å; T347-Q350 PolarHBondContact OG1-N 3.43Å; Q350-L353 PolarHBondContact O-N 3.41Å; Q350-Y354 PolarHBondContact O-N 2.75Å; Q350-A376 PolarHBondContact NE2-O 3.31Å; Q350-A377 PolarHBondContact NE2-O 3.27Å
351	A	94.7	Very high	91.9	Very high	28 Å²	28	64.4 Å²	64.4	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-47	-178.9	0	0	0	0	0	113.7	L346 T347 L353 Y354 N355	L346-A351 HydrophobicContact CB-CB 3.84Å; L346-A351 HydrophobicContact CD1-CB 4.23Å; T347-A351 PolarHBondContact O-N 3.18Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.12Å; A351-Y354 PolarHBondContact O-N 2.86Å; A351-N355 WeakPolarHBondContact O-CB 3.38Å; A351-N355 VanDerWaalsContact O-CG 3.3Å; A351-N355 PolarHBondContact O-N 3.1Å; A351-N355 PolarHBondContact O-ND2 2.9Å
352	P	93.7	Very high	90.6	Very high	76 Å²	76	65.8 Å²	65.8	49%	0.494	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-39.2	177.5	-23.1	34.8	0	0	0	112.6	E348 N355 Q356	E348-P352 WeakPolarHBondContact O-CD 3.28Å; E348-P352 VanDerWaalsContact O-CG 3.23Å; E348-P352 WeakPolarHBondContact O-CG 3.45Å; P352-N355 PolarHBondContact O-N 3.35Å; P352-Q356 WeakPolarHBondContact O-CB 3.45Å; P352-Q356 PolarHBondContact O-N 3.17Å
353	L	92.1	Very high	89	Confident	26 Å²	26	70.2 Å²	70.2	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-64	-42	177.7	-175.9	64.2	0	0	0	111.3	Q350 A351 L357 P380 L383	Q350-L353 PolarHBondContact O-N 3.41Å; A351-L353 VanDerWaalsContact C-N 3.31Å; A351-L353 PolarHBondContact O-N 3.12Å; L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 3.29Å; L353-P380 HydrophobicContact CD2-CB 4.14Å; L353-L383 HydrophobicContact CD1-CD1 4.38Å; L353-L383 HydrophobicContact CD2-CB 4.21Å; L353-L383 HydrophobicContact CD2-CD1 3.49Å; L353-L383 VanDerWaalsContact CD2-CD1 3.49Å; L353-L383 HydrophobicContact CD2-CG 4.47Å; L353-L383 HydrophobicContact CG-CD1 3.74Å
354	Y	94	Very high	87.2	Confident	6 Å²	6	68.9 Å²	68.9	2%	0.024	39%	0.389	C	S	.	.	H	α-helix	trans	-63.7	-47.6	175.6	-168.8	-82.6	0	0	0	111.6	L346 Q350 A351 Q356 L357 M358 L373 A376 A377 T570 I571	L346-Y354 HydrophobicContact CD1-CD2 4.48Å; L346-Y354 HydrophobicContact CD1-CG 4.08Å; Q350-Y354 PolarHBondContact O-N 2.75Å; A351-Y354 PolarHBondContact O-N 2.86Å; Y354-Q356 VanDerWaalsContact C-N 3.31Å; Y354-Q356 PolarHBondContact O-N 3.17Å; Y354-L357 WeakPolarHBondContact O-CB 3.49Å; Y354-L357 PolarHBondContact O-N 3.13Å; Y354-L357 VanDerWaalsContact O-N 3.14Å; Y354-M358 HydrophobicContact CD1-CG 3.85Å; Y354-M358 HydrophobicContact CE1-CG 3.51Å; Y354-M358 HydrophobicContact CE1-SD 3.92Å; Y354-M358 PolarHBondContact O-N 3.35Å; Y354-L373 HydrophobicContact CD2-CD2 4.47Å; Y354-L373 HydrophobicContact CE1-CD2 4.13Å; Y354-L373 HydrophobicContact CE2-CB 4.13Å; Y354-L373 HydrophobicContact CE2-CD2 3.96Å; Y354-L373 WeakPolarHBondContact CE2-O 2.97Å; Y354-A376 HydrophobicContact CD2-CB 3.54Å; Y354-A376 HydrophobicContact CE2-CB 4.17Å; Y354-A376 HydrophobicContact CG-CB 4.44Å; Y354-A377 HydrophobicContact CE2-CB 4.21Å; Y354-T570 HydrophobicContact CD2-CG2 4.17Å; Y354-T570 HydrophobicContact CE1-CG2 4.28Å; Y354-T570 HydrophobicContact CE2-CG2 3.88Å; Y354-T570 WeakPolarHBondContact OH-CA 3.17Å; Y354-I571 WeakPolarHBondContact OH-CB 3.39Å; Y354-I571 PolarHBondContact OH-N 2.95Å
355	N	92.5	Very high	86	Confident	103 Å²	103	73.3 Å²	73.3	55%	0.551	41%	0.412	S	S	*	.	H	α-helix	trans	-62.6	-37.8	179.4	-70.9	-22.3	0	0	0	112.4	A351 P352 M358 S359	A351-N355 WeakPolarHBondContact O-CB 3.38Å; A351-N355 VanDerWaalsContact O-CG 3.3Å; A351-N355 PolarHBondContact O-N 3.1Å; A351-N355 PolarHBondContact O-ND2 2.9Å; P352-N355 PolarHBondContact O-N 3.35Å; N355-M358 WeakPolarHBondContact O-CB 3.49Å; N355-M358 PolarHBondContact O-N 3.01Å; N355-S359 PolarHBondContact O-N 3.15Å; N355-S359 VanDerWaalsContact O-N 3.11Å
356	Q	90.6	Very high	85	Confident	100 Å²	100	72.2 Å²	72.2	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-44.7	174	-168.1	-172.9	-12.5	0	0	111.1	P352 Y354 M358 S359 Y360	P352-Q356 WeakPolarHBondContact O-CB 3.45Å; P352-Q356 PolarHBondContact O-N 3.17Å; Y354-Q356 VanDerWaalsContact C-N 3.31Å; Y354-Q356 PolarHBondContact O-N 3.17Å; Q356-M358 VanDerWaalsContact C-N 3.33Å; Q356-M358 PolarHBondContact O-N 3.48Å; Q356-S359 PolarHBondContact O-N 3.01Å; Q356-S359 PolarHBondContact O-OG 3.08Å; Q356-Y360 HydrophobicContact CG-CE2 3.75Å; Q356-Y360 PolarHBondContact NE2-OH 2.91Å; Q356-Y360 VanDerWaalsContact NE2-OH 3.13Å; Q356-Y360 WeakPolarHBondContact O-CD2 3.41Å
357	L	90.1	Very high	84	Confident	28 Å²	28	75.6 Å²	75.6	15%	0.147	44%	0.44	C	S	.	.	H	α-helix	trans	-63.2	-38	175.9	-71.5	173.6	0	0	0	113	L353 Y354 S359 Y360 C361 Q372 L373 A376 L383	L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 3.29Å; Y354-L357 WeakPolarHBondContact O-CB 3.49Å; Y354-L357 PolarHBondContact O-N 3.13Å; Y354-L357 VanDerWaalsContact O-N 3.14Å; L357-S359 VanDerWaalsContact C-N 3.27Å; L357-S359 PolarHBondContact O-N 3.36Å; L357-Y360 PolarHBondContact O-N 3.26Å; L357-C361 PolarHBondContact O-SG 2.8Å; L357-C361 VanDerWaalsContact O-SG 3.38Å; L357-Q372 HydrophobicContact CD1-CB 4.31Å; L357-Q372 HydrophobicContact CD2-CB 4.45Å; L357-L373 HydrophobicContact CB-CD2 3.8Å; L357-A376 HydrophobicContact CD1-CB 3.84Å; L357-L383 HydrophobicContact CD1-CD1 3.57Å; L357-L383 HydrophobicContact CD1-CD2 4.19Å
358	M	88	Confident	83.2	Confident	86 Å²	86	76.4 Å²	76.4	42%	0.424	45%	0.449	S	S	.	.	H	α-helix	trans	-60.8	-36.9	174.7	-74.6	-63.6	-60.6	0	0	112	Y354 N355 Q356 Y360 C361 L373	Y354-M358 HydrophobicContact CD1-CG 3.85Å; Y354-M358 HydrophobicContact CE1-CG 3.51Å; Y354-M358 HydrophobicContact CE1-SD 3.92Å; Y354-M358 PolarHBondContact O-N 3.35Å; N355-M358 WeakPolarHBondContact O-CB 3.49Å; N355-M358 PolarHBondContact O-N 3.01Å; Q356-M358 VanDerWaalsContact C-N 3.33Å; Q356-M358 PolarHBondContact O-N 3.48Å; M358-Y360 VanDerWaalsContact C-N 3.31Å; M358-Y360 PolarHBondContact O-N 3.45Å; M358-C361 VanDerWaalsContact O-CB 3.3Å; M358-C361 WeakPolarHBondContact O-CB 3.13Å; M358-C361 PolarHBondContact O-N 3.02Å; M358-C361 VanDerWaalsContact O-N 3.15Å; M358-L373 HydrophobicContact CG-CD2 3.82Å; M358-L373 HydrophobicContact SD-CD1 3.52Å; M358-L373 VanDerWaalsContact SD-CD1 3.52Å; M358-L373 HydrophobicContact SD-CD2 3.53Å; M358-L373 VanDerWaalsContact SD-CD2 3.53Å; M358-L373 HydrophobicContact SD-CG 4.18Å
359	S	86.6	Confident	82.8	Confident	69 Å²	69	69.6 Å²	69.6	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-62.9	-34.9	178.8	75.6	0	0	0	0	113.4	N355 Q356 L357 C361	N355-S359 PolarHBondContact O-N 3.15Å; N355-S359 VanDerWaalsContact O-N 3.11Å; Q356-S359 PolarHBondContact O-N 3.01Å; Q356-S359 PolarHBondContact O-OG 3.08Å; L357-S359 VanDerWaalsContact C-N 3.27Å; L357-S359 PolarHBondContact O-N 3.36Å; S359-C361 VanDerWaalsContact C-N 3.29Å; S359-C361 PolarHBondContact O-N 3.48Å
360	Y	82.4	Confident	82.7	Confident	115 Å²	115	68.9 Å²	68.9	45%	0.451	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-76.7	-11.1	177.7	-60.5	-59.4	0	0	0	113.9	Q356 L357 M358 S362 D363	Q356-Y360 HydrophobicContact CG-CE2 3.75Å; Q356-Y360 PolarHBondContact NE2-OH 2.91Å; Q356-Y360 VanDerWaalsContact NE2-OH 3.13Å; Q356-Y360 WeakPolarHBondContact O-CD2 3.41Å; L357-Y360 PolarHBondContact O-N 3.26Å; M358-Y360 VanDerWaalsContact C-N 3.31Å; M358-Y360 PolarHBondContact O-N 3.45Å; Y360-S362 PolarHBondContact O-N 3.4Å; Y360-D363 PolarHBondContact O-N 3.12Å
361	C	75.3	Confident	82.6	Confident	35 Å²	35	72.4 Å²	72.4	24%	0.236	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-64.4	-21.2	-178.9	-69.9	0	0	0	0	112.9	L357 M358 S359 D363	L357-C361 PolarHBondContact O-SG 2.8Å; L357-C361 VanDerWaalsContact O-SG 3.38Å; M358-C361 VanDerWaalsContact O-CB 3.3Å; M358-C361 WeakPolarHBondContact O-CB 3.13Å; M358-C361 PolarHBondContact O-N 3.02Å; M358-C361 VanDerWaalsContact O-N 3.15Å; S359-C361 VanDerWaalsContact C-N 3.29Å; S359-C361 PolarHBondContact O-N 3.48Å; C361-D363 PolarHBondContact O-N 2.92Å
362	S	68.5	Low	82.4	Confident	105 Å²	105	74 Å²	74	73%	0.734	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-66.4	-22.3	177	-50.7	0	0	0	0	113.3	Y360	Y360-S362 PolarHBondContact O-N 3.4Å
363	D	64.9	Low	82.4	Confident	138 Å²	138	70.8 Å²	70.8	74%	0.738	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-98.9	16.2	-163.9	-65.6	-22.8	0	0	0	115.4	Y360 C361	Y360-D363 PolarHBondContact O-N 3.12Å; C361-D363 PolarHBondContact O-N 2.92Å
364	G	57.9	Low	82.5	Confident	67 Å²	67	70.7 Å²	70.7	69%	0.691	40%	0.404	S	S	*	.	S	Bend	trans	105.2	25.1	154.5	0	0	0	0	0	119.7
365	N	70.6	Confident	82.5	Confident	97 Å²	97	72.7 Å²	72.7	52%	0.519	41%	0.413	S	S	.	.			trans	-140.2	75.4	162.5	-165.4	-20.5	0	0	0	113	C367 A368 M369	N365-C367 VanDerWaalsContact C-N 3.3Å; N365-C367 PolarHBondContact O-N 3.33Å; N365-A368 HydrophobicContact CB-CB 4.37Å; N365-A368 PolarHBondContact O-N 3.26Å; N365-A368 PolarHBondContact OD1-N 3.02Å; N365-M369 WeakPolarHBondContact O-CG 3.3Å; N365-M369 PolarHBondContact O-N 3.36Å; N365-M369 VanDerWaalsContact O-N 3.08Å
366	V	76.7	Confident	82.6	Confident	113 Å²	113	67.9 Å²	67.9	69%	0.685	39%	0.387	S	S	*	.	H	α-helix	trans	-55.8	-40.4	-174.4	-176.1	0	0	0	0	112.6	M369 F370	V366-M369 PolarHBondContact O-N 3.3Å; V366-F370 WeakPolarHBondContact O-CB 3.48Å; V366-F370 PolarHBondContact O-N 3.23Å
367	C	74.9	Confident	82.8	Confident	106 Å²	106	63.1 Å²	63.1	72%	0.716	37%	0.365	S	S	*	.	H	α-helix	trans	-68.8	-43.4	-177.4	-67.3	0	0	0	0	112.8	N365 M369 M371	N365-C367 VanDerWaalsContact C-N 3.3Å; N365-C367 PolarHBondContact O-N 3.33Å; C367-M369 VanDerWaalsContact C-N 3.33Å; C367-M371 PolarHBondContact O-N 3.41Å
368	A	77.2	Confident	83.1	Confident	41 Å²	41	61.8 Å²	61.8	34%	0.339	36%	0.358	S	S	.	.	H	α-helix	trans	-65.9	-40.5	176.7	0	0	0	0	0	110.8	N365 M371 Q372	N365-A368 HydrophobicContact CB-CB 4.37Å; N365-A368 PolarHBondContact O-N 3.26Å; N365-A368 PolarHBondContact OD1-N 3.02Å; A368-M371 PolarHBondContact O-N 3.28Å; A368-Q372 WeakPolarHBondContact O-CG 3.29Å; A368-Q372 PolarHBondContact O-N 2.84Å
369	M	85.1	Confident	83.4	Confident	41 Å²	41	57.8 Å²	57.8	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-40.8	177.9	-67.3	-56.5	92.3	0	0	112.6	N365 V366 C367 M371 Q372 L373	N365-M369 WeakPolarHBondContact O-CG 3.3Å; N365-M369 PolarHBondContact O-N 3.36Å; N365-M369 VanDerWaalsContact O-N 3.08Å; V366-M369 PolarHBondContact O-N 3.3Å; C367-M369 VanDerWaalsContact C-N 3.33Å; M369-M371 PolarHBondContact O-N 3.11Å; M369-Q372 HydrophobicContact CE-CG 4.08Å; M369-Q372 PolarHBondContact O-N 2.82Å; M369-L373 WeakPolarHBondContact O-CG 3.31Å; M369-L373 PolarHBondContact O-N 3.31Å
370	F	88	Confident	83.8	Confident	66 Å²	66	55 Å²	55	29%	0.289	32%	0.319	S	S	.	.	H	α-helix	trans	-51.2	-44.3	173.5	-178.8	-90.8	0	0	0	111.9	V366 R374 I571 M575	V366-F370 WeakPolarHBondContact O-CB 3.48Å; V366-F370 PolarHBondContact O-N 3.23Å; F370-R374 HydrophobicContact CE1-CG 4.19Å; F370-R374 HydrophobicContact CZ-CG 4.44Å; F370-R374 WeakPolarHBondContact O-CG 3.14Å; F370-R374 PolarHBondContact O-N 2.81Å; F370-R374 VanDerWaalsContact O-N 3.07Å; F370-I571 HydrophobicContact CB-CD1 4.4Å; F370-I571 HydrophobicContact CD2-CD1 3.14Å; F370-I571 HydrophobicContact CD2-CG1 4.04Å; F370-I571 HydrophobicContact CE2-CD1 3.37Å; F370-I571 HydrophobicContact CE2-CG1 3.75Å; F370-I571 HydrophobicContact CG-CD1 3.9Å; F370-I571 HydrophobicContact CZ-CD1 4.34Å; F370-M575 HydrophobicContact CE1-SD 4.37Å; F370-M575 HydrophobicContact CE2-CG 4.22Å; F370-M575 HydrophobicContact CE2-SD 4.38Å; F370-M575 HydrophobicContact CZ-CE 4.4Å; F370-M575 HydrophobicContact CZ-CG 3.88Å; F370-M575 HydrophobicContact CZ-SD 3.63Å
371	M	90.4	Very high	84.4	Confident	74 Å²	74	49.6 Å²	49.6	37%	0.365	30%	0.297	S	S	.	.	H	α-helix	trans	-68.3	-39.1	178.2	-173	57.8	66.3	0	0	112.7	C367 A368 M369 R374 K375 F468	C367-M371 PolarHBondContact O-N 3.41Å; A368-M371 PolarHBondContact O-N 3.28Å; M369-M371 PolarHBondContact O-N 3.11Å; M371-R374 PolarHBondContact O-N 3.01Å; M371-K375 WeakPolarHBondContact O-CG 3.29Å; M371-K375 PolarHBondContact O-N 3.49Å; M371-F468 HydrophobicContact SD-CE1 3.57Å; M371-F468 VanDerWaalsContact SD-CE1 3.57Å; M371-F468 HydrophobicContact SD-CZ 3.58Å; M371-F468 VanDerWaalsContact SD-CZ 3.58Å
372	Q	90.8	Very high	85.3	Confident	61 Å²	61	48.1 Å²	48.1	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-39.8	177.1	-62.3	-61.4	-16.8	0	0	111.8	L357 A368 M369 R374 K375 A376 L383	L357-Q372 HydrophobicContact CD1-CB 4.31Å; L357-Q372 HydrophobicContact CD2-CB 4.45Å; A368-Q372 WeakPolarHBondContact O-CG 3.29Å; A368-Q372 PolarHBondContact O-N 2.84Å; M369-Q372 HydrophobicContact CE-CG 4.08Å; M369-Q372 PolarHBondContact O-N 2.82Å; Q372-R374 PolarHBondContact O-N 2.92Å; Q372-K375 WeakPolarHBondContact O-CB 3.16Å; Q372-K375 PolarHBondContact O-N 2.73Å; Q372-A376 WeakPolarHBondContact O-CB 3.42Å; Q372-A376 PolarHBondContact O-N 3.03Å; Q372-L383 HydrophobicContact CB-CD2 4.48Å
373	L	93.1	Very high	86.4	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-41.6	174.4	-67.1	172.2	0	0	0	111.5	Y354 L357 M358 M369 K375 A376 A377 I571	Y354-L373 HydrophobicContact CD2-CD2 4.47Å; Y354-L373 HydrophobicContact CE1-CD2 4.13Å; Y354-L373 HydrophobicContact CE2-CB 4.13Å; Y354-L373 HydrophobicContact CE2-CD2 3.96Å; Y354-L373 WeakPolarHBondContact CE2-O 2.97Å; L357-L373 HydrophobicContact CB-CD2 3.8Å; M358-L373 HydrophobicContact CG-CD2 3.82Å; M358-L373 HydrophobicContact SD-CD1 3.52Å; M358-L373 VanDerWaalsContact SD-CD1 3.52Å; M358-L373 HydrophobicContact SD-CD2 3.53Å; M358-L373 VanDerWaalsContact SD-CD2 3.53Å; M358-L373 HydrophobicContact SD-CG 4.18Å; M369-L373 WeakPolarHBondContact O-CG 3.31Å; M369-L373 PolarHBondContact O-N 3.31Å; L373-K375 PolarHBondContact O-N 2.84Å; L373-A376 WeakPolarHBondContact O-CB 3.09Å; L373-A376 PolarHBondContact O-N 3.26Å; L373-A377 WeakPolarHBondContact O-CB 3.49Å; L373-A377 PolarHBondContact O-N 3.1Å; L373-I571 HydrophobicContact CB-CB 4.36Å; L373-I571 HydrophobicContact CB-CD1 3.99Å; L373-I571 HydrophobicContact CB-CG2 4.12Å; L373-I571 HydrophobicContact CD1-CD1 3.91Å
374	R	94.3	Very high	87.6	Confident	25 Å²	25	40.5 Å²	40.5	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-42.3	173.4	-73.5	-174.7	70.9	-166.9	4.4	112.6	F370 M371 Q372 A376 A377 N378 F468 D536 I537 I571 M575	F370-R374 HydrophobicContact CE1-CG 4.19Å; F370-R374 HydrophobicContact CZ-CG 4.44Å; F370-R374 WeakPolarHBondContact O-CG 3.14Å; F370-R374 PolarHBondContact O-N 2.81Å; F370-R374 VanDerWaalsContact O-N 3.07Å; M371-R374 PolarHBondContact O-N 3.01Å; Q372-R374 PolarHBondContact O-N 2.92Å; R374-A376 VanDerWaalsContact C-N 3.34Å; R374-A377 PolarHBondContact O-N 2.9Å; R374-N378 WeakPolarHBondContact O-CB 3.01Å; R374-N378 PolarHBondContact O-N 3.33Å; R374-F468 HydrophobicContact CB-CZ 4.16Å; R374-D536 IonicContact NH2-OD2 2.73Å; R374-I537 PolarHBondContact NH2-O 3.41Å; R374-I571 HydrophobicContact CG-CG2 3.82Å; R374-M575 VanDerWaalsContact CD-SD 3.59Å; R374-M575 HydrophobicContact CG-SD 3.96Å
375	K	94.5	Very high	89	Confident	48 Å²	48	40.1 Å²	40.1	21%	0.209	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-47	174	-74.1	177.8	177.8	-172.8	0	110.9	M371 Q372 L373 A377 N378 H379 L382 L383 F468	M371-K375 WeakPolarHBondContact O-CG 3.29Å; M371-K375 PolarHBondContact O-N 3.49Å; Q372-K375 WeakPolarHBondContact O-CB 3.16Å; Q372-K375 PolarHBondContact O-N 2.73Å; L373-K375 PolarHBondContact O-N 2.84Å; K375-A377 PolarHBondContact O-N 2.78Å; K375-N378 PolarHBondContact O-N 3.47Å; K375-H379 CarbonylContact O-C 3.54Å; K375-H379 PolarHBondContact O-N 3.1Å; K375-L382 HydrophobicContact CB-CB 3.81Å; K375-L382 HydrophobicContact CB-CD1 4.24Å; K375-L382 HydrophobicContact CD-CB 4.38Å; K375-L382 HydrophobicContact CG-CB 4.1Å; K375-L382 HydrophobicContact CG-CD1 4.32Å; K375-L383 HydrophobicContact CB-CD2 3.97Å; K375-L383 HydrophobicContact CB-CG 4.44Å; K375-L383 HydrophobicContact CD-CD2 4.47Å; K375-F468 HydrophobicContact CG-CE1 4.14Å
376	A	94.1	Very high	89.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-57.9	-45.5	177.8	0	0	0	0	0	112.2	Q350 Y354 L357 Q372 L373 R374 L383	Q350-A376 PolarHBondContact NE2-O 3.31Å; Y354-A376 HydrophobicContact CD2-CB 3.54Å; Y354-A376 HydrophobicContact CE2-CB 4.17Å; Y354-A376 HydrophobicContact CG-CB 4.44Å; L357-A376 HydrophobicContact CD1-CB 3.84Å; Q372-A376 WeakPolarHBondContact O-CB 3.42Å; Q372-A376 PolarHBondContact O-N 3.03Å; L373-A376 WeakPolarHBondContact O-CB 3.09Å; L373-A376 PolarHBondContact O-N 3.26Å; R374-A376 VanDerWaalsContact C-N 3.34Å; A376-L383 HydrophobicContact CB-CD1 3.62Å
377	A	95.2	Very high	90.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-35.9	178.2	0	0	0	0	0	112.7	Q350 Y354 L373 R374 K375 A567 T570	Q350-A377 PolarHBondContact NE2-O 3.27Å; Y354-A377 HydrophobicContact CE2-CB 4.21Å; L373-A377 WeakPolarHBondContact O-CB 3.49Å; L373-A377 PolarHBondContact O-N 3.1Å; R374-A377 PolarHBondContact O-N 2.9Å; K375-A377 PolarHBondContact O-N 2.78Å; A377-A567 HydrophobicContact CB-CB 4.06Å; A377-T570 HydrophobicContact CB-CG2 4.35Å
378	N	95.8	Very high	91.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-73.3	-55.1	178.2	-79.5	-20	0	0	0	112.9	R374 K375 L382 S442 K444 F468 V471 D536	R374-N378 WeakPolarHBondContact O-CB 3.01Å; R374-N378 PolarHBondContact O-N 3.33Å; K375-N378 PolarHBondContact O-N 3.47Å; N378-L382 HydrophobicContact CB-CD1 3.98Å; N378-S442 PolarHBondContact O-OG 2.87Å; N378-S442 VanDerWaalsContact O-OG 3.07Å; N378-K444 PolarHBondContact OD1-NZ 3.49Å; N378-F468 VanDerWaalsContact ND2-CD2 3.34Å; N378-F468 WeakPolarHBondContact ND2-CD2 3.46Å; N378-F468 WeakPolarHBondContact ND2-CE2 3.48Å; N378-V471 HydrophobicContact CB-CG2 4.13Å; N378-D536 VanDerWaalsContact OD1-CB 3.28Å; N378-D536 WeakPolarHBondContact OD1-CB 3.44Å
379	H	96.1	Very high	91.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.186	C	C	.	.			trans	-163.3	132	-178.6	-160.5	-74.8	0	0	0	112	K375 L381 L382 V439 S442 I445 I474	K375-H379 CarbonylContact O-C 3.54Å; K375-H379 PolarHBondContact O-N 3.1Å; H379-L381 VanDerWaalsContact C-N 3.28Å; H379-L381 VanDerWaalsContact CE1-CG 3.43Å; H379-L381 WeakPolarHBondContact CE1-CG 3.26Å; H379-L381 WeakPolarHBondContact ND1-CB 3.45Å; H379-L381 PolarHBondContact ND1-N 3.12Å; H379-L381 VanDerWaalsContact ND1-N 3.1Å; H379-L381 PolarHBondContact O-N 2.85Å; H379-L382 HydrophobicContact CB-CD1 4.22Å; H379-L382 HydrophobicContact CB-CG 4.15Å; H379-L382 WeakPolarHBondContact O-CB 3.17Å; H379-L382 PolarHBondContact O-N 3.46Å; H379-L382 VanDerWaalsContact O-N 3.07Å; H379-V439 PolarHBondContact NE2-O 3.46Å; H379-S442 WeakPolarHBondContact CD2-CB 3.31Å; H379-I445 VanDerWaalsContact CD2-CD1 3.5Å; H379-I445 WeakPolarHBondContact CD2-CD1 3.2Å; H379-I445 WeakPolarHBondContact NE2-CD1 3.27Å; H379-I474 HydrophobicContact CB-CD1 4.04Å
380	P	94.7	Very high	91.8	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.071	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-59.6	-34.8	-178.8	21.7	-32.2	0	0	0	113.5	L353 L382 L383 N441	L353-P380 HydrophobicContact CD2-CB 4.14Å; P380-L382 PolarHBondContact O-N 2.8Å; P380-L382 VanDerWaalsContact O-N 3.12Å; P380-L383 WeakPolarHBondContact O-CB 3.34Å; P380-L383 PolarHBondContact O-N 3.22Å; P380-N441 WeakPolarHBondContact CG-O 3.5Å
381	L	94.9	Very high	91.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-64.5	-10.9	177.1	-60.6	179.4	0	0	0	115.9	H379 L383 L386 S416 D417 F418 L434 V439 I474	H379-L381 VanDerWaalsContact C-N 3.28Å; H379-L381 VanDerWaalsContact CE1-CG 3.43Å; H379-L381 WeakPolarHBondContact CE1-CG 3.26Å; H379-L381 WeakPolarHBondContact ND1-CB 3.45Å; H379-L381 PolarHBondContact ND1-N 3.12Å; H379-L381 VanDerWaalsContact ND1-N 3.1Å; H379-L381 PolarHBondContact O-N 2.85Å; L381-L383 PolarHBondContact O-N 3.01Å; L381-L386 HydrophobicContact CD2-CD1 3.47Å; L381-L386 VanDerWaalsContact CD2-CD1 3.47Å; L381-L386 HydrophobicContact CD2-CG 4.41Å; L381-S416 WeakPolarHBondContact O-CB 3.42Å; L381-D417 HydrophobicContact CB-CB 4.5Å; L381-D417 HydrophobicContact CD2-CB 3.94Å; L381-D417 PolarHBondContact O-N 3.15Å; L381-F418 HydrophobicContact CB-CB 3.98Å; L381-F418 HydrophobicContact CD1-CD2 4.24Å; L381-F418 WeakPolarHBondContact O-CB 3.45Å; L381-F418 PolarHBondContact O-N 3.46Å; L381-L434 HydrophobicContact CD1-CD1 4.37Å; L381-L434 HydrophobicContact CD2-CD1 3.52Å; L381-V439 HydrophobicContact CD1-CB 4.34Å; L381-V439 HydrophobicContact CD1-CG2 3.95Å; L381-I474 HydrophobicContact CB-CD1 4.47Å
382	L	94	Very high	91.7	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-75.6	-13	170.9	-64.1	175.4	0	0	0	112.3	K375 N378 H379 P380 S416 M470 V471 I474	K375-L382 HydrophobicContact CB-CB 3.81Å; K375-L382 HydrophobicContact CB-CD1 4.24Å; K375-L382 HydrophobicContact CD-CB 4.38Å; K375-L382 HydrophobicContact CG-CB 4.1Å; K375-L382 HydrophobicContact CG-CD1 4.32Å; N378-L382 HydrophobicContact CB-CD1 3.98Å; H379-L382 HydrophobicContact CB-CD1 4.22Å; H379-L382 HydrophobicContact CB-CG 4.15Å; H379-L382 WeakPolarHBondContact O-CB 3.17Å; H379-L382 PolarHBondContact O-N 3.46Å; H379-L382 VanDerWaalsContact O-N 3.07Å; P380-L382 PolarHBondContact O-N 2.8Å; P380-L382 VanDerWaalsContact O-N 3.12Å; L382-S416 WeakPolarHBondContact O-CB 3.26Å; L382-M470 HydrophobicContact CD2-CB 3.58Å; L382-M470 HydrophobicContact CD2-CE 4.15Å; L382-M470 HydrophobicContact CD2-SD 4.41Å; L382-V471 HydrophobicContact CD1-CG2 3.68Å; L382-I474 HydrophobicContact CD2-CD1 3.78Å; L382-I474 HydrophobicContact CG-CD1 4.09Å
383	L	92.1	Very high	91.5	Very high	10 Å²	10	41 Å²	41	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	-101.3	178.7	173.4	-58.6	173.8	0	0	0	110	L353 L357 Q372 K375 A376 P380 L381 D417	L353-L383 HydrophobicContact CD1-CD1 4.38Å; L353-L383 HydrophobicContact CD2-CB 4.21Å; L353-L383 HydrophobicContact CD2-CD1 3.49Å; L353-L383 VanDerWaalsContact CD2-CD1 3.49Å; L353-L383 HydrophobicContact CD2-CG 4.47Å; L353-L383 HydrophobicContact CG-CD1 3.74Å; L357-L383 HydrophobicContact CD1-CD1 3.57Å; L357-L383 HydrophobicContact CD1-CD2 4.19Å; Q372-L383 HydrophobicContact CB-CD2 4.48Å; K375-L383 HydrophobicContact CB-CD2 3.97Å; K375-L383 HydrophobicContact CB-CG 4.44Å; K375-L383 HydrophobicContact CD-CD2 4.47Å; A376-L383 HydrophobicContact CB-CD1 3.62Å; P380-L383 WeakPolarHBondContact O-CB 3.34Å; P380-L383 PolarHBondContact O-N 3.22Å; L381-L383 PolarHBondContact O-N 3.01Å; L383-D417 PolarHBondContact O-N 2.82Å
384	R	89.2	Confident	91.2	Very high	74 Å²	74	47.2 Å²	47.2	28%	0.279	22%	0.221	S	C	.	.	S	Bend	trans	-108	99.9	174.7	-177.7	59.6	69	118.2	4	109.4	Y387 L412 K415 D417	R384-Y387 WeakPolarHBondContact CD-O 3.41Å; R384-Y387 PolarHBondContact NH1-O 3.29Å; R384-L412 PolarHBondContact NH2-O 2.87Å; R384-K415 PolarHBondContact NE-O 3.03Å; R384-K415 PolarHBondContact NH2-O 3.21Å; R384-D417 WeakPolarHBondContact CD-OD1 3.36Å; R384-D417 IonicContact NE-OD1 3.06Å
385	S	87	Confident	90.8	Very high	59 Å²	59	46.1 Å²	46.1	41%	0.413	22%	0.217	S	C	.	.	S	Bend	trans	-136.2	-34.4	-179.8	63.2	0	0	0	0	113.7	D417	S385-D417 PolarHBondContact N-OD2 2.8Å; S385-D417 PolarHBondContact OG-OD2 2.99Å
386	L	88.7	Confident	90.4	Very high	90 Å²	90	43.9 Å²	43.9	47%	0.471	21%	0.208	S	C	.	.	S	Bend	trans	-89	-43.1	-176.2	-58.5	-177.6	0	0	0	112.7	L381 N388 D417 L434 A438	L381-L386 HydrophobicContact CD2-CD1 3.47Å; L381-L386 VanDerWaalsContact CD2-CD1 3.47Å; L381-L386 HydrophobicContact CD2-CG 4.41Å; L386-N388 PolarHBondContact O-N 3Å; L386-D417 PolarHBondContact N-OD2 2.89Å; L386-L434 HydrophobicContact CB-CD2 4.19Å; L386-L434 HydrophobicContact CD1-CD1 3.96Å; L386-L434 HydrophobicContact CD1-CD2 3.95Å; L386-A438 HydrophobicContact CD1-CB 4.12Å
387	Y	89.2	Confident	89.9	Confident	14 Å²	14	51.5 Å²	51.5	6%	0.055	24%	0.241	C	C	.	.	S	Bend	trans	-87.8	92.6	179.5	-70.6	-64.6	0	0	0	112	R384 A391 M395 D417 L420 H421 L432 L434	R384-Y387 WeakPolarHBondContact CD-O 3.41Å; R384-Y387 PolarHBondContact NH1-O 3.29Å; Y387-A391 HydrophobicContact CD1-CB 4.01Å; Y387-M395 HydrophobicContact CD1-CE 3.22Å; Y387-M395 HydrophobicContact CD2-CE 4.21Å; Y387-M395 HydrophobicContact CE1-CE 3.03Å; Y387-M395 HydrophobicContact CE2-CE 4.05Å; Y387-M395 HydrophobicContact CG-CE 3.81Å; Y387-M395 VanDerWaalsContact CZ-CE 3.45Å; Y387-D417 WeakPolarHBondContact CB-OD1 3.48Å; Y387-D417 HydrophobicContact CD2-CB 4.04Å; Y387-D417 WeakPolarHBondContact CD2-OD1 3.49Å; Y387-D417 WeakPolarHBondContact CE2-O 3.41Å; Y387-D417 PolarHBondContact N-OD1 3.01Å; Y387-L420 HydrophobicContact CD2-CB 3.69Å; Y387-L420 HydrophobicContact CD2-CD1 3.79Å; Y387-L420 HydrophobicContact CD2-CG 4.35Å; Y387-L420 HydrophobicContact CE2-CB 3.72Å; Y387-L420 HydrophobicContact CG-CB 4.41Å; Y387-L420 HydrophobicContact CG-CD1 3.81Å; Y387-H421 HydrophobicContact CE2-CB 4.45Å; Y387-L432 WeakPolarHBondContact CE1-O 3.37Å; Y387-L432 VanDerWaalsContact CZ-O 3.27Å; Y387-L432 PolarHBondContact OH-O 2.9Å; Y387-L434 HydrophobicContact CD2-CD2 4.47Å; Y387-L434 HydrophobicContact CE1-CD2 4.08Å; Y387-L434 HydrophobicContact CE2-CD1 3.83Å; Y387-L434 HydrophobicContact CE2-CD2 3.81Å; Y387-L434 HydrophobicContact CE2-CG 3.65Å; Y387-L434 WeakPolarHBondContact OH-CG 3.3Å; Y387-L434 PolarHBondContact OH-N 3.49Å
388	N	88.7	Confident	89.4	Confident	96 Å²	96	54.1 Å²	54.1	51%	0.513	26%	0.263	S	S	.	.			trans	-62.9	162.8	171.5	67.5	27.3	0	0	0	112.8	L386 K390 A391 V392	L386-N388 PolarHBondContact O-N 3Å; N388-K390 PolarHBondContact O-N 3.4Å; N388-K390 VanDerWaalsContact O-N 3.09Å; N388-K390 WeakPolarHBondContact OD1-CB 3.49Å; N388-K390 PolarHBondContact OD1-N 3.47Å; N388-A391 WeakPolarHBondContact O-CA 3.34Å; N388-A391 WeakPolarHBondContact O-CB 3.42Å; N388-A391 PolarHBondContact O-N 3.06Å; N388-A391 WeakPolarHBondContact OD1-CB 3.43Å; N388-A391 PolarHBondContact OD1-N 2.86Å; N388-V392 WeakPolarHBondContact O-CG2 3.23Å; N388-V392 PolarHBondContact O-N 3.07Å; N388-V392 VanDerWaalsContact O-N 3.08Å
389	E	88.7	Confident	88.6	Confident	110 Å²	110	55.7 Å²	55.7	51%	0.514	27%	0.271	S	S	.	.	H	α-helix	trans	-53.5	-35	-179.5	-69.7	-173.1	-157.2	0	0	113.7	A391 V392 R393 Y409 L413	E389-A391 PolarHBondContact O-N 2.92Å; E389-V392 PolarHBondContact O-N 3.2Å; E389-R393 WeakPolarHBondContact O-CG 3.42Å; E389-R393 PolarHBondContact O-N 3.18Å; E389-R393 IonicContact OE2-NH2 2.93Å; E389-R393 PolarHBondContact OE2-NH2 2.77Å; E389-Y409 PolarHBondContact OE2-OH 3.34Å; E389-L413 HydrophobicContact CG-CD2 4.03Å
390	K	88.5	Confident	87.5	Confident	160 Å²	160	61 Å²	61	70%	0.696	29%	0.294	S	S	*	.	H	α-helix	trans	-63.9	-40.8	177.2	-66.6	-179.2	-178.9	175.6	0	111.4	N388 K394	N388-K390 PolarHBondContact O-N 3.4Å; N388-K390 VanDerWaalsContact O-N 3.09Å; N388-K390 WeakPolarHBondContact OD1-CB 3.49Å; N388-K390 PolarHBondContact OD1-N 3.47Å; K390-K394 WeakPolarHBondContact O-CG 3.41Å; K390-K394 PolarHBondContact O-N 2.99Å; K390-K394 VanDerWaalsContact O-N 3.1Å
391	A	87.3	Confident	86	Confident	17 Å²	17	69.7 Å²	69.7	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-42.4	174.7	0	0	0	0	0	110.9	Y387 N388 E389 R393 K394 M395	Y387-A391 HydrophobicContact CD1-CB 4.01Å; N388-A391 WeakPolarHBondContact O-CA 3.34Å; N388-A391 WeakPolarHBondContact O-CB 3.42Å; N388-A391 PolarHBondContact O-N 3.06Å; N388-A391 WeakPolarHBondContact OD1-CB 3.43Å; N388-A391 PolarHBondContact OD1-N 2.86Å; E389-A391 PolarHBondContact O-N 2.92Å; A391-R393 PolarHBondContact O-N 3.39Å; A391-K394 WeakPolarHBondContact O-CB 3.47Å; A391-K394 PolarHBondContact O-N 3.29Å; A391-K394 VanDerWaalsContact O-N 3.15Å; A391-M395 WeakPolarHBondContact O-CG 3.4Å; A391-M395 PolarHBondContact O-N 3.02Å
392	V	87.9	Confident	84.2	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-43.6	176	-171.6	0	0	0	0	111.6	N388 E389 K394 M395 A396 Y409 L412 L413 L420	N388-V392 WeakPolarHBondContact O-CG2 3.23Å; N388-V392 PolarHBondContact O-N 3.07Å; N388-V392 VanDerWaalsContact O-N 3.08Å; E389-V392 PolarHBondContact O-N 3.2Å; V392-K394 VanDerWaalsContact C-N 3.29Å; V392-K394 PolarHBondContact O-N 3.16Å; V392-M395 WeakPolarHBondContact O-CB 3.45Å; V392-M395 PolarHBondContact O-N 3.32Å; V392-M395 VanDerWaalsContact O-N 3.11Å; V392-A396 PolarHBondContact O-N 3.25Å; V392-Y409 HydrophobicContact CB-CD2 4.35Å; V392-Y409 HydrophobicContact CB-CE2 4.04Å; V392-Y409 HydrophobicContact CG1-CD2 3.85Å; V392-Y409 HydrophobicContact CG1-CE2 3.95Å; V392-L412 HydrophobicContact CG1-CB 3.49Å; V392-L412 VanDerWaalsContact CG1-CB 3.49Å; V392-L412 HydrophobicContact CG1-CD1 4.33Å; V392-L413 HydrophobicContact CB-CD2 4.41Å; V392-L413 HydrophobicContact CG1-CD2 4.25Å; V392-L413 HydrophobicContact CG2-CD2 4.42Å; V392-L420 HydrophobicContact CG2-CD1 3.95Å
393	R	86.9	Confident	82.3	Confident	131 Å²	131	84.2 Å²	84.2	49%	0.494	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-39.3	174.5	-70.9	-178.2	-164.2	177	9.3	111.9	E389 A391 A396 K397 Y409	E389-R393 WeakPolarHBondContact O-CG 3.42Å; E389-R393 PolarHBondContact O-N 3.18Å; E389-R393 IonicContact OE2-NH2 2.93Å; E389-R393 PolarHBondContact OE2-NH2 2.77Å; A391-R393 PolarHBondContact O-N 3.39Å; R393-A396 PolarHBondContact O-N 3.42Å; R393-K397 WeakPolarHBondContact O-CG 3.41Å; R393-K397 PolarHBondContact O-N 3.15Å; R393-K397 VanDerWaalsContact O-N 3.1Å; R393-Y409 HydrophobicContact CB-CD2 4.46Å; R393-Y409 HydrophobicContact CB-CE2 4.26Å; R393-Y409 HydrophobicContact CG-CD2 3.67Å; R393-Y409 HydrophobicContact CG-CE1 4.4Å; R393-Y409 HydrophobicContact CG-CE2 3.21Å; R393-Y409 HydrophobicContact CG-CG 4.45Å; R393-Y409 PolarHBondContact NE-OH 3.38Å; R393-Y409 PolarHBondContact NH2-OH 2.67Å
394	K	86.6	Confident	81	Confident	138 Å²	138	86 Å²	86	60%	0.6	43%	0.428	S	S	*	.	H	α-helix	trans	-64.7	-40	174.3	-73.1	178.4	-179.3	-179.2	0	111.6	K390 A391 V392 A398 L432	K390-K394 WeakPolarHBondContact O-CG 3.41Å; K390-K394 PolarHBondContact O-N 2.99Å; K390-K394 VanDerWaalsContact O-N 3.1Å; A391-K394 WeakPolarHBondContact O-CB 3.47Å; A391-K394 PolarHBondContact O-N 3.29Å; A391-K394 VanDerWaalsContact O-N 3.15Å; V392-K394 VanDerWaalsContact C-N 3.29Å; V392-K394 PolarHBondContact O-N 3.16Å; K394-A398 WeakPolarHBondContact O-CB 3.47Å; K394-A398 PolarHBondContact O-N 3.31Å; K394-L432 HydrophobicContact CB-CD1 4.27Å
395	M	87.2	Confident	79.8	Confident	2 Å²	2	83 Å²	83	1%	0.01	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-48.6	174.1	-66.8	-179.4	-169.5	0	0	111.7	Y387 A391 V392 K397 A398 L399 L412 L420 C424 L432	Y387-M395 HydrophobicContact CD1-CE 3.22Å; Y387-M395 HydrophobicContact CD2-CE 4.21Å; Y387-M395 HydrophobicContact CE1-CE 3.03Å; Y387-M395 HydrophobicContact CE2-CE 4.05Å; Y387-M395 HydrophobicContact CG-CE 3.81Å; Y387-M395 VanDerWaalsContact CZ-CE 3.45Å; A391-M395 WeakPolarHBondContact O-CG 3.4Å; A391-M395 PolarHBondContact O-N 3.02Å; V392-M395 WeakPolarHBondContact O-CB 3.45Å; V392-M395 PolarHBondContact O-N 3.32Å; V392-M395 VanDerWaalsContact O-N 3.11Å; M395-K397 VanDerWaalsContact C-N 3.28Å; M395-K397 PolarHBondContact O-N 3.37Å; M395-A398 PolarHBondContact O-N 3.41Å; M395-L399 VanDerWaalsContact O-CG 3.31Å; M395-L399 WeakPolarHBondContact O-CG 3.07Å; M395-L399 PolarHBondContact O-N 3.19Å; M395-L412 HydrophobicContact CB-CD1 4.26Å; M395-L420 HydrophobicContact CE-CB 4.12Å; M395-L420 HydrophobicContact CE-CD1 4.1Å; M395-L420 HydrophobicContact SD-CB 3.98Å; M395-L420 HydrophobicContact SD-CD1 3.81Å; M395-L420 HydrophobicContact SD-CD2 4.03Å; M395-L420 HydrophobicContact SD-CG 4.18Å; M395-C424 WeakPolarHBondContact CE-SG 2.93Å; M395-L432 HydrophobicContact CB-CD1 4.45Å; M395-L432 HydrophobicContact CE-CB 4.24Å; M395-L432 HydrophobicContact CG-CD1 3.59Å
396	A	85.4	Confident	79.1	Confident	2 Å²	2	88.1 Å²	88.1	2%	0.017	43%	0.431	C	S	.	.	H	α-helix	trans	-56.7	-43.6	179.9	0	0	0	0	0	111.6	V392 R393 A398 F400 L412	V392-A396 PolarHBondContact O-N 3.25Å; R393-A396 PolarHBondContact O-N 3.42Å; A396-A398 PolarHBondContact O-N 3.38Å; A396-F400 PolarHBondContact O-N 3.11Å; A396-L412 HydrophobicContact CB-CD1 4.07Å
397	K	84.5	Confident	78.4	Confident	160 Å²	160	87.8 Å²	87.8	70%	0.696	44%	0.436	S	S	*	.	H	α-helix	trans	-67	-31.3	175.2	-72.3	-177.5	-179.8	-171.3	0	113.9	R393 M395	R393-K397 WeakPolarHBondContact O-CG 3.41Å; R393-K397 PolarHBondContact O-N 3.15Å; R393-K397 VanDerWaalsContact O-N 3.1Å; M395-K397 VanDerWaalsContact C-N 3.28Å; M395-K397 PolarHBondContact O-N 3.37Å
398	A	83.5	Confident	77.9	Confident	56 Å²	56	88.8 Å²	88.8	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-80.5	-29.7	179.6	0	0	0	0	0	112.6	K394 M395 A396 L429	K394-A398 WeakPolarHBondContact O-CB 3.47Å; K394-A398 PolarHBondContact O-N 3.31Å; M395-A398 PolarHBondContact O-N 3.41Å; A396-A398 PolarHBondContact O-N 3.38Å; A398-L429 HydrophobicContact CB-CD1 4.13Å; A398-L429 HydrophobicContact CB-CD2 3.68Å
399	L	79.2	Confident	77.6	Confident	33 Å²	33	85.1 Å²	85.1	17%	0.173	42%	0.421	C	S	.	.	H	α-helix	trans	-81	-33.1	-178.9	-68.7	172.9	0	0	0	112.9	M395 L408 L412 H427 L429	M395-L399 VanDerWaalsContact O-CG 3.31Å; M395-L399 WeakPolarHBondContact O-CG 3.07Å; M395-L399 PolarHBondContact O-N 3.19Å; L399-L408 HydrophobicContact CB-CD2 3.89Å; L399-L408 HydrophobicContact CD1-CD2 4.23Å; L399-L412 HydrophobicContact CD1-CD1 4.17Å; L399-H427 HydrophobicContact CD2-CB 3.44Å; L399-H427 VanDerWaalsContact CD2-CB 3.44Å; L399-H427 WeakPolarHBondContact CD2-CD2 3.44Å; L399-L429 HydrophobicContact CD2-CD1 3.89Å; L399-L429 HydrophobicContact CG-CD1 4.09Å
400	F	72.5	Confident	77.3	Confident	112 Å²	112	83.8 Å²	83.8	49%	0.491	42%	0.415	S	S	.	.	S	Bend	trans	-135.3	149	-175.5	-84.3	-101.1	0	0	0	113.1	A396 A404 L408	A396-F400 PolarHBondContact O-N 3.11Å; F400-A404 HydrophobicContact CB-CB 4.35Å; F400-A404 HydrophobicContact CD1-CB 3.89Å; F400-A404 HydrophobicContact CG-CB 4.44Å; F400-L408 HydrophobicContact CB-CD2 4.37Å; F400-L408 HydrophobicContact CD2-CD2 3.27Å; F400-L408 HydrophobicContact CD2-CG 4.41Å; F400-L408 HydrophobicContact CE2-CD1 4.27Å; F400-L408 HydrophobicContact CE2-CD2 3.77Å; F400-L408 HydrophobicContact CG-CD2 4.11Å
401	K	64.7	Low	77.2	Confident	194 Å²	194	80.5 Å²	80.5	84%	0.843	41%	0.405	S	S	*	.			trans	-58.9	141.5	168	-71.4	-175.5	179	179.6	0	109.5	L403 A404	K401-L403 PolarHBondContact O-N 2.88Å; K401-A404 PolarHBondContact O-N 3.04Å
402	V	57.2	Low	77.2	Confident	130 Å²	130	79.8 Å²	79.8	79%	0.788	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-40.3	-39.1	-165.1	-178.7	0	0	0	0	115.5	A404 A405	V402-A404 PolarHBondContact O-N 3.48Å; V402-A405 WeakPolarHBondContact O-CB 3.33Å; V402-A405 PolarHBondContact O-N 3.31Å
403	L	53.7	Low	77.1	Confident	180 Å²	180	82.4 Å²	82.4	94%	0.942	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-65.4	-29.7	-175.8	-80.4	145.7	0	0	0	114.7	K401	K401-L403 PolarHBondContact O-N 2.88Å
404	A	64.7	Low	77.1	Confident	47 Å²	47	81.8 Å²	81.8	39%	0.388	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-97.1	-1.8	178.1	0	0	0	0	0	113.4	F400 K401 V402 Y406	F400-A404 HydrophobicContact CB-CB 4.35Å; F400-A404 HydrophobicContact CD1-CB 3.89Å; F400-A404 HydrophobicContact CG-CB 4.44Å; K401-A404 PolarHBondContact O-N 3.04Å; V402-A404 PolarHBondContact O-N 3.48Å; A404-Y406 VanDerWaalsContact C-N 3.3Å; A404-Y406 PolarHBondContact O-N 3.23Å
405	A	63.4	Low	77.3	Confident	13 Å²	13	78.9 Å²	78.9	11%	0.107	41%	0.411	C	S	.	.	H	α-helix	trans	-69.1	-24.4	-169.9	0	0	0	0	0	113.7	V402 Y409	V402-A405 WeakPolarHBondContact O-CB 3.33Å; V402-A405 PolarHBondContact O-N 3.31Å; A405-Y409 VanDerWaalsContact O-CB 3.24Å; A405-Y409 WeakPolarHBondContact O-CB 3.39Å; A405-Y409 PolarHBondContact O-N 2.87Å
406	Y	71.9	Confident	77.5	Confident	166 Å²	166	79.1 Å²	79.1	65%	0.651	41%	0.413	S	S	*	.	H	α-helix	trans	-73.3	-49.2	-178.4	-171.6	-103.5	0	0	0	112.5	A404 L408 Y409 E410	A404-Y406 VanDerWaalsContact C-N 3.3Å; A404-Y406 PolarHBondContact O-N 3.23Å; Y406-L408 VanDerWaalsContact C-N 3.28Å; Y406-L408 PolarHBondContact O-N 2.93Å; Y406-Y409 WeakPolarHBondContact O-CB 3.33Å; Y406-Y409 PolarHBondContact O-N 3.22Å; Y406-Y409 VanDerWaalsContact O-N 3.1Å; Y406-E410 HydrophobicContact CE1-CG 4.43Å; Y406-E410 PolarHBondContact O-N 3.35Å; Y406-E410 PolarHBondContact OH-OE1 2.88Å
407	S	74.5	Confident	77.9	Confident	83 Å²	83	79 Å²	79	58%	0.58	41%	0.412	S	S	*	.	H	α-helix	trans	-59.1	-42.6	177.2	-172.7	0	0	0	0	111.4	Y409 D411	S407-Y409 VanDerWaalsContact C-N 3.34Å; S407-Y409 PolarHBondContact O-N 3.38Å; S407-D411 PolarHBondContact O-N 3.24Å
408	L	78.5	Confident	78.3	Confident	34 Å²	34	71.8 Å²	71.8	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-67.6	-35.5	177.5	-174.6	71.9	0	0	0	112.2	L399 F400 Y406 E410 D411 L412	L399-L408 HydrophobicContact CB-CD2 3.89Å; L399-L408 HydrophobicContact CD1-CD2 4.23Å; F400-L408 HydrophobicContact CB-CD2 4.37Å; F400-L408 HydrophobicContact CD2-CD2 3.27Å; F400-L408 HydrophobicContact CD2-CG 4.41Å; F400-L408 HydrophobicContact CE2-CD1 4.27Å; F400-L408 HydrophobicContact CE2-CD2 3.77Å; F400-L408 HydrophobicContact CG-CD2 4.11Å; Y406-L408 VanDerWaalsContact C-N 3.28Å; Y406-L408 PolarHBondContact O-N 2.93Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 3.02Å; L408-D411 PolarHBondContact O-N 2.96Å; L408-L412 HydrophobicContact CD1-CG 4.41Å; L408-L412 HydrophobicContact CD2-CD1 4.28Å; L408-L412 HydrophobicContact CG-CD1 4.02Å; L408-L412 HydrophobicContact CG-CG 4.07Å; L408-L412 WeakPolarHBondContact O-CB 3.19Å; L408-L412 WeakPolarHBondContact O-CG 3.39Å; L408-L412 PolarHBondContact O-N 3.5Å
409	Y	82.4	Confident	78.7	Confident	20 Å²	20	71.3 Å²	71.3	8%	0.078	37%	0.37	C	S	.	.	H	α-helix	trans	-59.5	-45.7	179	170.5	-112.1	0	0	0	111.5	E389 V392 R393 A405 Y406 S407 D411 L412 L413	E389-Y409 PolarHBondContact OE2-OH 3.34Å; V392-Y409 HydrophobicContact CB-CD2 4.35Å; V392-Y409 HydrophobicContact CB-CE2 4.04Å; V392-Y409 HydrophobicContact CG1-CD2 3.85Å; V392-Y409 HydrophobicContact CG1-CE2 3.95Å; R393-Y409 HydrophobicContact CB-CD2 4.46Å; R393-Y409 HydrophobicContact CB-CE2 4.26Å; R393-Y409 HydrophobicContact CG-CD2 3.67Å; R393-Y409 HydrophobicContact CG-CE1 4.4Å; R393-Y409 HydrophobicContact CG-CE2 3.21Å; R393-Y409 HydrophobicContact CG-CG 4.45Å; R393-Y409 PolarHBondContact NE-OH 3.38Å; R393-Y409 PolarHBondContact NH2-OH 2.67Å; A405-Y409 VanDerWaalsContact O-CB 3.24Å; A405-Y409 WeakPolarHBondContact O-CB 3.39Å; A405-Y409 PolarHBondContact O-N 2.87Å; Y406-Y409 WeakPolarHBondContact O-CB 3.33Å; Y406-Y409 PolarHBondContact O-N 3.22Å; Y406-Y409 VanDerWaalsContact O-N 3.1Å; S407-Y409 VanDerWaalsContact C-N 3.34Å; S407-Y409 PolarHBondContact O-N 3.38Å; Y409-D411 PolarHBondContact O-N 3.27Å; Y409-L412 PolarHBondContact O-N 3.34Å; Y409-L413 HydrophobicContact CD1-CD1 4.21Å; Y409-L413 HydrophobicContact CD2-CG 4.41Å; Y409-L413 HydrophobicContact CE1-CD1 3.69Å; Y409-L413 HydrophobicContact CE1-CG 4.34Å; Y409-L413 HydrophobicContact CE2-CD1 4.2Å; Y409-L413 HydrophobicContact CE2-CD2 3.85Å; Y409-L413 HydrophobicContact CE2-CG 3.98Å; Y409-L413 WeakPolarHBondContact O-CG 2.97Å; Y409-L413 PolarHBondContact O-N 2.84Å
410	E	83.4	Confident	79.3	Confident	82 Å²	82	69.7 Å²	69.7	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-59.5	-45.2	175.6	-64.1	-62.3	159.4	0	0	111.3	Y406 L408 L412 L413	Y406-E410 HydrophobicContact CE1-CG 4.43Å; Y406-E410 PolarHBondContact O-N 3.35Å; Y406-E410 PolarHBondContact OH-OE1 2.88Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 3.02Å; E410-L412 VanDerWaalsContact C-N 3.32Å; E410-L412 PolarHBondContact O-N 3.1Å; E410-L413 PolarHBondContact O-N 3.37Å
411	D	85.4	Confident	80.2	Confident	90 Å²	90	64.9 Å²	64.9	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-41	176.2	-69	-24.8	0	0	0	112.1	S407 L408 Y409 L413 T414	S407-D411 PolarHBondContact O-N 3.24Å; L408-D411 PolarHBondContact O-N 2.96Å; Y409-D411 PolarHBondContact O-N 3.27Å; D411-L413 VanDerWaalsContact C-N 3.32Å; D411-L413 PolarHBondContact O-N 3.2Å; D411-T414 PolarHBondContact O-N 3.27Å; D411-T414 PolarHBondContact O-OG1 3.47Å
412	L	87.1	Confident	81.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-71	-24.9	179.7	-67.8	179.3	0	0	0	112.8	R384 V392 M395 A396 L399 L408 Y409 E410 T414 K415 L420 L423	R384-L412 PolarHBondContact NH2-O 2.87Å; V392-L412 HydrophobicContact CG1-CB 3.49Å; V392-L412 VanDerWaalsContact CG1-CB 3.49Å; V392-L412 HydrophobicContact CG1-CD1 4.33Å; M395-L412 HydrophobicContact CB-CD1 4.26Å; A396-L412 HydrophobicContact CB-CD1 4.07Å; L399-L412 HydrophobicContact CD1-CD1 4.17Å; L408-L412 HydrophobicContact CD1-CG 4.41Å; L408-L412 HydrophobicContact CD2-CD1 4.28Å; L408-L412 HydrophobicContact CG-CD1 4.02Å; L408-L412 HydrophobicContact CG-CG 4.07Å; L408-L412 WeakPolarHBondContact O-CB 3.19Å; L408-L412 WeakPolarHBondContact O-CG 3.39Å; L408-L412 PolarHBondContact O-N 3.5Å; Y409-L412 PolarHBondContact O-N 3.34Å; E410-L412 VanDerWaalsContact C-N 3.32Å; E410-L412 PolarHBondContact O-N 3.1Å; L412-T414 PolarHBondContact O-N 3.48Å; L412-K415 HydrophobicContact CD2-CD 3.95Å; L412-K415 PolarHBondContact O-N 3.21Å; L412-L420 HydrophobicContact CB-CD2 4.2Å; L412-L420 HydrophobicContact CD2-CD2 3.81Å; L412-L420 HydrophobicContact CG-CD2 4.48Å; L412-L423 HydrophobicContact CD2-CD1 3.4Å; L412-L423 VanDerWaalsContact CD2-CD1 3.4Å
413	L	87.4	Confident	82.9	Confident	55 Å²	55	55.1 Å²	55.1	29%	0.288	29%	0.289	S	S	.	.	H	α-helix	trans	-66.1	-29.7	175.4	-74.4	175.4	0	0	0	112	E389 V392 Y409 E410 D411 K415	E389-L413 HydrophobicContact CG-CD2 4.03Å; V392-L413 HydrophobicContact CB-CD2 4.41Å; V392-L413 HydrophobicContact CG1-CD2 4.25Å; V392-L413 HydrophobicContact CG2-CD2 4.42Å; Y409-L413 HydrophobicContact CD1-CD1 4.21Å; Y409-L413 HydrophobicContact CD2-CG 4.41Å; Y409-L413 HydrophobicContact CE1-CD1 3.69Å; Y409-L413 HydrophobicContact CE1-CG 4.34Å; Y409-L413 HydrophobicContact CE2-CD1 4.2Å; Y409-L413 HydrophobicContact CE2-CD2 3.85Å; Y409-L413 HydrophobicContact CE2-CG 3.98Å; Y409-L413 WeakPolarHBondContact O-CG 2.97Å; Y409-L413 PolarHBondContact O-N 2.84Å; E410-L413 PolarHBondContact O-N 3.37Å; D411-L413 VanDerWaalsContact C-N 3.32Å; D411-L413 PolarHBondContact O-N 3.2Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 2.82Å
414	T	86.6	Confident	84.5	Confident	118 Å²	118	46.6 Å²	46.6	72%	0.724	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.5	-179	69.9	0	0	0	0	114.5	D411 L412	D411-T414 PolarHBondContact O-N 3.27Å; D411-T414 PolarHBondContact O-OG1 3.47Å; L412-T414 PolarHBondContact O-N 3.48Å
415	K	89.4	Confident	85.6	Confident	77 Å²	77	46.8 Å²	46.8	34%	0.335	24%	0.243	S	C	.	.	S	Bend	trans	-78.4	162.1	-173	-70.4	-170.3	-176.4	-59.3	0	113	R384 L412 L413 D419 L420 L423	R384-K415 PolarHBondContact NE-O 3.03Å; R384-K415 PolarHBondContact NH2-O 3.21Å; L412-K415 HydrophobicContact CD2-CD 3.95Å; L412-K415 PolarHBondContact O-N 3.21Å; L413-K415 VanDerWaalsContact C-N 3.32Å; L413-K415 PolarHBondContact O-N 2.82Å; K415-D419 HydrophobicContact CB-CB 3.78Å; K415-D419 HydrophobicContact CD-CB 4.17Å; K415-D419 HydrophobicContact CG-CB 4.27Å; K415-L420 HydrophobicContact CB-CD2 4.13Å; K415-L420 HydrophobicContact CB-CG 4.42Å; K415-L420 HydrophobicContact CD-CD2 4.31Å; K415-L423 HydrophobicContact CD-CD1 3.8Å
416	S	92.4	Very high	86.7	Confident	8 Å²	8	52 Å²	52	6%	0.056	27%	0.265	C	S	.	.			trans	-78.5	168.6	168.3	66.4	0	0	0	0	111.8	L381 L382 F418 D419 L420 M470	L381-S416 WeakPolarHBondContact O-CB 3.42Å; L382-S416 WeakPolarHBondContact O-CB 3.26Å; S416-F418 PolarHBondContact O-N 3.39Å; S416-D419 WeakPolarHBondContact CB-OD2 3.08Å; S416-D419 PolarHBondContact N-OD2 2.81Å; S416-D419 PolarHBondContact O-N 2.93Å; S416-D419 PolarHBondContact OG-N 3.14Å; S416-D419 VanDerWaalsContact OG-N 3.1Å; S416-D419 PolarHBondContact OG-OD2 3.17Å; S416-L420 PolarHBondContact O-N 2.68Å; S416-L420 VanDerWaalsContact O-N 3.17Å; S416-M470 WeakPolarHBondContact OG-CE 3.38Å
417	D	93.5	Very high	87.4	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-36.6	172	-76.9	-33.7	0	0	0	111.8	L381 L383 R384 S385 L386 Y387 L420 H421 L434	L381-D417 HydrophobicContact CB-CB 4.5Å; L381-D417 HydrophobicContact CD2-CB 3.94Å; L381-D417 PolarHBondContact O-N 3.15Å; L383-D417 PolarHBondContact O-N 2.82Å; R384-D417 WeakPolarHBondContact CD-OD1 3.36Å; R384-D417 IonicContact NE-OD1 3.06Å; S385-D417 PolarHBondContact N-OD2 2.8Å; S385-D417 PolarHBondContact OG-OD2 2.99Å; L386-D417 PolarHBondContact N-OD2 2.89Å; Y387-D417 WeakPolarHBondContact CB-OD1 3.48Å; Y387-D417 HydrophobicContact CD2-CB 4.04Å; Y387-D417 WeakPolarHBondContact CD2-OD1 3.49Å; Y387-D417 WeakPolarHBondContact CE2-O 3.41Å; Y387-D417 PolarHBondContact N-OD1 3.01Å; D417-L420 PolarHBondContact O-N 3Å; D417-H421 WeakPolarHBondContact O-CB 3.4Å; D417-H421 PolarHBondContact O-N 3.2Å; D417-L434 HydrophobicContact CB-CD1 4.48Å
418	F	93.5	Very high	87.8	Confident	7 Å²	7	52.6 Å²	52.6	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-38.8	177.4	-169.8	-100.5	0	0	0	112.6	L381 S416 L420 H421 K422 D473 I474 V477	L381-F418 HydrophobicContact CB-CB 3.98Å; L381-F418 HydrophobicContact CD1-CD2 4.24Å; L381-F418 WeakPolarHBondContact O-CB 3.45Å; L381-F418 PolarHBondContact O-N 3.46Å; S416-F418 PolarHBondContact O-N 3.39Å; F418-L420 VanDerWaalsContact C-N 3.32Å; F418-L420 PolarHBondContact O-N 3.36Å; F418-H421 WeakPolarHBondContact O-CB 3.43Å; F418-H421 PolarHBondContact O-N 2.76Å; F418-K422 WeakPolarHBondContact O-CB 3.34Å; F418-K422 PolarHBondContact O-N 2.86Å; F418-D473 HydrophobicContact CD1-CB 4.39Å; F418-D473 HydrophobicContact CE1-CB 3.36Å; F418-D473 HydrophobicContact CZ-CB 3.8Å; F418-I474 HydrophobicContact CB-CD1 4.34Å; F418-I474 HydrophobicContact CB-CG1 4.38Å; F418-I474 HydrophobicContact CD1-CG1 3.94Å; F418-I474 HydrophobicContact CD2-CD1 4.17Å; F418-I474 HydrophobicContact CD2-CG1 3.38Å; F418-I474 HydrophobicContact CE1-CG1 4.05Å; F418-I474 HydrophobicContact CE2-CB 4.24Å; F418-I474 HydrophobicContact CE2-CG1 3.48Å; F418-I474 VanDerWaalsContact CE2-CG1 3.48Å; F418-I474 HydrophobicContact CG-CD1 4.08Å; F418-I474 HydrophobicContact CG-CG1 3.6Å; F418-I474 HydrophobicContact CZ-CB 4.45Å; F418-I474 HydrophobicContact CZ-CG1 3.81Å; F418-V477 HydrophobicContact CE2-CG2 4.27Å; F418-V477 HydrophobicContact CZ-CG2 4.23Å
419	D	92	Very high	88.1	Confident	46 Å²	46	52.4 Å²	52.4	25%	0.246	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-42.9	175	-70.7	-48	0	0	0	111.5	K415 S416 K422 L423 M470	K415-D419 HydrophobicContact CB-CB 3.78Å; K415-D419 HydrophobicContact CD-CB 4.17Å; K415-D419 HydrophobicContact CG-CB 4.27Å; S416-D419 WeakPolarHBondContact CB-OD2 3.08Å; S416-D419 PolarHBondContact N-OD2 2.81Å; S416-D419 PolarHBondContact O-N 2.93Å; S416-D419 PolarHBondContact OG-N 3.14Å; S416-D419 VanDerWaalsContact OG-N 3.1Å; S416-D419 PolarHBondContact OG-OD2 3.17Å; D419-K422 PolarHBondContact O-N 2.94Å; D419-L423 WeakPolarHBondContact O-CG 3.4Å; D419-L423 PolarHBondContact O-N 3.12Å; D419-M470 WeakPolarHBondContact OD1-CE 3.33Å; D419-M470 VanDerWaalsContact OD2-CE 3.25Å; D419-M470 WeakPolarHBondContact OD2-CE 3.13Å
420	L	91.3	Very high	88.1	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-39	174.9	-70	-165.6	0	0	0	112.7	Y387 V392 M395 L412 K415 S416 D417 F418 K422 L423 C424	Y387-L420 HydrophobicContact CD2-CB 3.69Å; Y387-L420 HydrophobicContact CD2-CD1 3.79Å; Y387-L420 HydrophobicContact CD2-CG 4.35Å; Y387-L420 HydrophobicContact CE2-CB 3.72Å; Y387-L420 HydrophobicContact CG-CB 4.41Å; Y387-L420 HydrophobicContact CG-CD1 3.81Å; V392-L420 HydrophobicContact CG2-CD1 3.95Å; M395-L420 HydrophobicContact CE-CB 4.12Å; M395-L420 HydrophobicContact CE-CD1 4.1Å; M395-L420 HydrophobicContact SD-CB 3.98Å; M395-L420 HydrophobicContact SD-CD1 3.81Å; M395-L420 HydrophobicContact SD-CD2 4.03Å; M395-L420 HydrophobicContact SD-CG 4.18Å; L412-L420 HydrophobicContact CB-CD2 4.2Å; L412-L420 HydrophobicContact CD2-CD2 3.81Å; L412-L420 HydrophobicContact CG-CD2 4.48Å; K415-L420 HydrophobicContact CB-CD2 4.13Å; K415-L420 HydrophobicContact CB-CG 4.42Å; K415-L420 HydrophobicContact CD-CD2 4.31Å; S416-L420 PolarHBondContact O-N 2.68Å; S416-L420 VanDerWaalsContact O-N 3.17Å; D417-L420 PolarHBondContact O-N 3Å; F418-L420 VanDerWaalsContact C-N 3.32Å; F418-L420 PolarHBondContact O-N 3.36Å; L420-K422 VanDerWaalsContact C-N 3.31Å; L420-K422 PolarHBondContact O-N 3.44Å; L420-L423 HydrophobicContact CD2-CD1 4.13Å; L420-L423 PolarHBondContact O-N 2.83Å; L420-C424 PolarHBondContact O-N 3.11Å; L420-C424 PolarHBondContact O-SG 3.47Å
421	H	91.5	Very high	88.2	Confident	10 Å²	10	66.9 Å²	66.9	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-44.9	173	173.1	83.1	0	0	0	111	Y387 D417 F418 L423 C424 C425 L434	Y387-H421 HydrophobicContact CE2-CB 4.45Å; D417-H421 WeakPolarHBondContact O-CB 3.4Å; D417-H421 PolarHBondContact O-N 3.2Å; F418-H421 WeakPolarHBondContact O-CB 3.43Å; F418-H421 PolarHBondContact O-N 2.76Å; H421-L423 PolarHBondContact O-N 2.6Å; H421-C424 WeakPolarHBondContact O-CB 3.39Å; H421-C424 PolarHBondContact O-N 2.81Å; H421-C425 PolarHBondContact O-N 3.14Å; H421-C425 PolarHBondContact O-SG 3.44Å; H421-C425 VanDerWaalsContact O-SG 3.38Å; H421-L434 HydrophobicContact CB-CD1 4.12Å; H421-L434 HydrophobicContact CB-CG 4.34Å; H421-L434 PolarHBondContact CE1-O 3.21Å; H421-L434 PolarHBondContact ND1-N 3.44Å
422	K	89.9	Confident	88.2	Confident	85 Å²	85	64.6 Å²	64.6	37%	0.37	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-44.4	177.1	-167.5	175.2	-173	172	0	111.5	F418 D419 L420 C424 C425 Q426 D473	F418-K422 WeakPolarHBondContact O-CB 3.34Å; F418-K422 PolarHBondContact O-N 2.86Å; D419-K422 PolarHBondContact O-N 2.94Å; L420-K422 VanDerWaalsContact C-N 3.31Å; L420-K422 PolarHBondContact O-N 3.44Å; K422-C424 PolarHBondContact O-N 3.48Å; K422-C425 WeakPolarHBondContact O-CB 3.46Å; K422-C425 PolarHBondContact O-N 2.97Å; K422-Q426 WeakPolarHBondContact O-CG 3.47Å; K422-Q426 PolarHBondContact O-N 2.95Å; K422-D473 IonicContact NZ-OD2 3.01Å; K422-D473 PolarHBondContact NZ-OD2 2.99Å
423	L	88.2	Confident	88.3	Confident	34 Å²	34	69 Å²	69	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-42.8	173.7	-73.3	170	0	0	0	112.1	L412 K415 D419 L420 H421 C425 Q426 H427	L412-L423 HydrophobicContact CD2-CD1 3.4Å; L412-L423 VanDerWaalsContact CD2-CD1 3.4Å; K415-L423 HydrophobicContact CD-CD1 3.8Å; D419-L423 WeakPolarHBondContact O-CG 3.4Å; D419-L423 PolarHBondContact O-N 3.12Å; L420-L423 HydrophobicContact CD2-CD1 4.13Å; L420-L423 PolarHBondContact O-N 2.83Å; H421-L423 PolarHBondContact O-N 2.6Å; L423-C425 VanDerWaalsContact C-N 3.3Å; L423-C425 PolarHBondContact O-N 3.35Å; L423-Q426 PolarHBondContact O-N 3.15Å; L423-H427 PolarHBondContact O-CD2 2.91Å; L423-H427 PolarHBondContact O-N 3.1Å
424	C	87.8	Confident	88.4	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-39.2	176	-68.8	0	0	0	0	112	M395 L420 H421 K422 K428 L429	M395-C424 WeakPolarHBondContact CE-SG 2.93Å; L420-C424 PolarHBondContact O-N 3.11Å; L420-C424 PolarHBondContact O-SG 3.47Å; H421-C424 WeakPolarHBondContact O-CB 3.39Å; H421-C424 PolarHBondContact O-N 2.81Å; K422-C424 PolarHBondContact O-N 3.48Å; C424-K428 PolarHBondContact O-N 3.17Å; C424-K428 VanDerWaalsContact O-N 3.14Å; C424-L429 HydrophobicContact CB-CB 4.12Å; C424-L429 PolarHBondContact O-N 3.08Å
425	C	86.9	Confident	88.7	Confident	51 Å²	51	65.3 Å²	65.3	35%	0.345	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-45.9	175.7	-71.8	0	0	0	0	112.2	H421 K422 L423 H427 K428 K433	H421-C425 PolarHBondContact O-N 3.14Å; H421-C425 PolarHBondContact O-SG 3.44Å; H421-C425 VanDerWaalsContact O-SG 3.38Å; K422-C425 WeakPolarHBondContact O-CB 3.46Å; K422-C425 PolarHBondContact O-N 2.97Å; L423-C425 VanDerWaalsContact C-N 3.3Å; L423-C425 PolarHBondContact O-N 3.35Å; C425-H427 PolarHBondContact O-N 3.17Å; C425-K428 PolarHBondContact O-N 3.08Å; C425-K433 WeakPolarHBondContact SG-CE 3.48Å
426	Q	87.1	Confident	88.8	Confident	121 Å²	121	64.2 Å²	64.2	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-62.8	-41.5	-179.7	-73.5	172.6	-20.5	0	0	112.4	K422 L423	K422-Q426 WeakPolarHBondContact O-CG 3.47Å; K422-Q426 PolarHBondContact O-N 2.95Å; L423-Q426 PolarHBondContact O-N 3.15Å
427	H	86	Confident	88.8	Confident	105 Å²	105	67.6 Å²	67.6	49%	0.486	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14.2	-177.9	-66.5	-83.4	0	0	0	114.1	L399 L423 C425 L429	L399-H427 HydrophobicContact CD2-CB 3.44Å; L399-H427 VanDerWaalsContact CD2-CB 3.44Å; L399-H427 WeakPolarHBondContact CD2-CD2 3.44Å; L423-H427 PolarHBondContact O-CD2 2.91Å; L423-H427 PolarHBondContact O-N 3.1Å; C425-H427 PolarHBondContact O-N 3.17Å; H427-L429 HydrophobicContact CB-CG 4.17Å; H427-L429 PolarHBondContact O-N 2.92Å
428	K	83.9	Confident	88.7	Confident	157 Å²	157	68.3 Å²	68.3	68%	0.683	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.7	177.3	-58.2	-179.2	-178.8	178.1	0	113.9	C424 C425 F430	C424-K428 PolarHBondContact O-N 3.17Å; C424-K428 VanDerWaalsContact O-N 3.14Å; C425-K428 PolarHBondContact O-N 3.08Å; K428-F430 HydrophobicContact CB-CD2 4.45Å; K428-F430 HydrophobicContact CB-CE2 3.79Å; K428-F430 HydrophobicContact CB-CZ 3.94Å; K428-F430 HydrophobicContact CG-CE2 4.49Å; K428-F430 HydrophobicContact CG-CZ 4.23Å; K428-F430 WeakPolarHBondContact O-CD2 3.4Å; K428-F430 PolarHBondContact O-N 3.23Å
429	L	84.4	Confident	88.6	Confident	30 Å²	30	68 Å²	68	16%	0.157	33%	0.331	C	S	.	.			trans	-80.8	61.3	176.7	-58.3	-179.1	0	0	0	111	A398 L399 C424 H427 R431 L432 K433	A398-L429 HydrophobicContact CB-CD1 4.13Å; A398-L429 HydrophobicContact CB-CD2 3.68Å; L399-L429 HydrophobicContact CD2-CD1 3.89Å; L399-L429 HydrophobicContact CG-CD1 4.09Å; C424-L429 HydrophobicContact CB-CB 4.12Å; C424-L429 PolarHBondContact O-N 3.08Å; H427-L429 HydrophobicContact CB-CG 4.17Å; H427-L429 PolarHBondContact O-N 2.92Å; L429-R431 VanDerWaalsContact C-N 3.26Å; L429-R431 PolarHBondContact O-N 3.41Å; L429-R431 VanDerWaalsContact O-N 3.1Å; L429-L432 PolarHBondContact O-N 3.03Å; L429-K433 PolarHBondContact O-N 3.48Å
430	F	83	Confident	88.7	Confident	158 Å²	158	67.5 Å²	67.5	69%	0.693	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-53.5	-37.4	-169.1	-62	-69.1	0	0	0	114.4	K428 L432 K433	K428-F430 HydrophobicContact CB-CD2 4.45Å; K428-F430 HydrophobicContact CB-CE2 3.79Å; K428-F430 HydrophobicContact CB-CZ 3.94Å; K428-F430 HydrophobicContact CG-CE2 4.49Å; K428-F430 HydrophobicContact CG-CZ 4.23Å; K428-F430 WeakPolarHBondContact O-CD2 3.4Å; K428-F430 PolarHBondContact O-N 3.23Å; F430-L432 PolarHBondContact O-N 3.24Å; F430-K433 WeakPolarHBondContact O-CB 3.43Å; F430-K433 PolarHBondContact O-N 3.22Å
431	R	85.2	Confident	88.8	Confident	249 Å²	249	70.1 Å²	70.1	94%	0.94	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-67.9	-22.1	-179.6	-67.2	-174.8	178.1	175.7	-0.5	114.1	L429	L429-R431 VanDerWaalsContact C-N 3.26Å; L429-R431 PolarHBondContact O-N 3.41Å; L429-R431 VanDerWaalsContact O-N 3.1Å
432	L	85.4	Confident	89	Confident	41 Å²	41	69.6 Å²	69.6	22%	0.215	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-103.8	-4.8	-179.3	-62.2	176.6	0	0	0	111.7	Y387 K394 M395 L429 F430 L434	Y387-L432 WeakPolarHBondContact CE1-O 3.37Å; Y387-L432 VanDerWaalsContact CZ-O 3.27Å; Y387-L432 PolarHBondContact OH-O 2.9Å; K394-L432 HydrophobicContact CB-CD1 4.27Å; M395-L432 HydrophobicContact CB-CD1 4.45Å; M395-L432 HydrophobicContact CE-CB 4.24Å; M395-L432 HydrophobicContact CG-CD1 3.59Å; L429-L432 PolarHBondContact O-N 3.03Å; F430-L432 PolarHBondContact O-N 3.24Å; L432-L434 PolarHBondContact O-N 3.36Å
433	K	89.1	Confident	89.3	Confident	95 Å²	95	65.8 Å²	65.8	41%	0.413	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-68.3	130.2	179.7	-174.8	-177.7	172.3	171.6	0	110.4	C425 L429 F430	C425-K433 WeakPolarHBondContact SG-CE 3.48Å; L429-K433 PolarHBondContact O-N 3.48Å; F430-K433 WeakPolarHBondContact O-CB 3.43Å; F430-K433 PolarHBondContact O-N 3.22Å
434	L	90	Very high	89.7	Confident	18 Å²	18	64.1 Å²	64.1	9%	0.094	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-59.6	142.3	170.5	-60.6	177.5	0	0	0	111.8	L381 L386 Y387 D417 H421 L432 A438	L381-L434 HydrophobicContact CD1-CD1 4.37Å; L381-L434 HydrophobicContact CD2-CD1 3.52Å; L386-L434 HydrophobicContact CB-CD2 4.19Å; L386-L434 HydrophobicContact CD1-CD1 3.96Å; L386-L434 HydrophobicContact CD1-CD2 3.95Å; Y387-L434 HydrophobicContact CD2-CD2 4.47Å; Y387-L434 HydrophobicContact CE1-CD2 4.08Å; Y387-L434 HydrophobicContact CE2-CD1 3.83Å; Y387-L434 HydrophobicContact CE2-CD2 3.81Å; Y387-L434 HydrophobicContact CE2-CG 3.65Å; Y387-L434 WeakPolarHBondContact OH-CG 3.3Å; Y387-L434 PolarHBondContact OH-N 3.49Å; D417-L434 HydrophobicContact CB-CD1 4.48Å; H421-L434 HydrophobicContact CB-CD1 4.12Å; H421-L434 HydrophobicContact CB-CG 4.34Å; H421-L434 PolarHBondContact CE1-O 3.21Å; H421-L434 PolarHBondContact ND1-N 3.44Å; L432-L434 PolarHBondContact O-N 3.36Å; L434-A438 HydrophobicContact CB-CB 4.28Å
435	P	91.6	Very high	90.2	Very high	77 Å²	77	64.1 Å²	64.1	50%	0.5	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-66.8	153.5	171.9	30.6	-35.4	0	0	0	110.6	S437 A438	P435-S437 PolarHBondContact O-N 3.33Å; P435-A438 HydrophobicContact CG-CB 4.24Å; P435-A438 WeakPolarHBondContact O-CB 3.43Å; P435-A438 PolarHBondContact O-N 3.1Å
436	V	91.3	Very high	90.6	Very high	54 Å²	54	64 Å²	64	33%	0.327	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-31.8	178.6	179	0	0	0	0	111.3	A438 V439 L440 H481	V436-A438 PolarHBondContact O-N 3.41Å; V436-V439 CarbonylContact O-C 3.58Å; V436-V439 WeakPolarHBondContact O-CA 3.42Å; V436-V439 WeakPolarHBondContact O-CB 3.5Å; V436-V439 PolarHBondContact O-N 2.9Å; V436-L440 HydrophobicContact CG1-CD1 4.26Å; V436-L440 HydrophobicContact CG1-CG 4.14Å; V436-L440 WeakPolarHBondContact O-CG 3.14Å; V436-L440 PolarHBondContact O-N 3.19Å; V436-H481 HydrophobicContact CG1-CB 4.12Å
437	S	93	Very high	91.1	Very high	79 Å²	79	58.5 Å²	58.5	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-55.7	-32.3	174.3	54.2	0	0	0	0	113.4	P435 V439 L440 N441	P435-S437 PolarHBondContact O-N 3.33Å; S437-V439 VanDerWaalsContact C-N 3.31Å; S437-L440 PolarHBondContact O-N 2.89Å; S437-N441 WeakPolarHBondContact O-CB 3.47Å; S437-N441 PolarHBondContact O-N 3.32Å; S437-N441 VanDerWaalsContact O-N 3.12Å
438	A	92.4	Very high	91.6	Very high	16 Å²	16	53.5 Å²	53.5	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-70	-30.2	175	0	0	0	0	0	112.4	L386 L434 P435 V436	L386-A438 HydrophobicContact CD1-CB 4.12Å; L434-A438 HydrophobicContact CB-CB 4.28Å; P435-A438 HydrophobicContact CG-CB 4.24Å; P435-A438 WeakPolarHBondContact O-CB 3.43Å; P435-A438 PolarHBondContact O-N 3.1Å; V436-A438 PolarHBondContact O-N 3.41Å
439	V	90.9	Very high	92.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-76.2	-31.3	174.2	-173.4	0	0	0	0	111	H379 L381 V436 S437 N441 I445 I474 V477	H379-V439 PolarHBondContact NE2-O 3.46Å; L381-V439 HydrophobicContact CD1-CB 4.34Å; L381-V439 HydrophobicContact CD1-CG2 3.95Å; V436-V439 CarbonylContact O-C 3.58Å; V436-V439 WeakPolarHBondContact O-CA 3.42Å; V436-V439 WeakPolarHBondContact O-CB 3.5Å; V436-V439 PolarHBondContact O-N 2.9Å; S437-V439 VanDerWaalsContact C-N 3.31Å; V439-N441 VanDerWaalsContact C-N 3.32Å; V439-I445 WeakPolarHBondContact O-CD1 3.37Å; V439-I474 HydrophobicContact CG1-CG2 3.98Å; V439-V477 HydrophobicContact CB-CG1 4.41Å; V439-V477 HydrophobicContact CG1-CB 4.06Å; V439-V477 HydrophobicContact CG1-CG1 3.93Å; V439-V477 HydrophobicContact CG2-CG1 4.26Å
440	L	93.6	Very high	92.7	Very high	35 Å²	35	54.9 Å²	54.9	18%	0.183	27%	0.273	C	S	.	.	H	α-helix	trans	-78.3	-17.9	177.2	-58.6	-179	0	0	0	113.2	V436 S437 S442 I445 Y478	V436-L440 HydrophobicContact CG1-CD1 4.26Å; V436-L440 HydrophobicContact CG1-CG 4.14Å; V436-L440 WeakPolarHBondContact O-CG 3.14Å; V436-L440 PolarHBondContact O-N 3.19Å; S437-L440 PolarHBondContact O-N 2.89Å; L440-S442 VanDerWaalsContact C-N 3.33Å; L440-S442 PolarHBondContact O-N 3.39Å; L440-I445 HydrophobicContact CD2-CG2 4.44Å; L440-Y478 HydrophobicContact CD2-CD2 3.51Å; L440-Y478 HydrophobicContact CD2-CE2 4.2Å
441	N	94.3	Very high	93.3	Very high	55 Å²	55	47.6 Å²	47.6	29%	0.294	24%	0.241	S	C	.	.			trans	-80.9	76.3	-174.7	-173.9	8.7	0	0	0	111.8	T347 T349 P380 S437 V439	T347-N441 VanDerWaalsContact CB-OD1 3.32Å; T347-N441 WeakPolarHBondContact CB-OD1 3.5Å; T347-N441 WeakPolarHBondContact CG2-OD1 3.41Å; T347-N441 PolarHBondContact OG1-OD1 3.09Å; T349-N441 PolarHBondContact OG1-ND2 3.45Å; T349-N441 PolarHBondContact OG1-OD1 2.85Å; P380-N441 WeakPolarHBondContact CG-O 3.5Å; S437-N441 WeakPolarHBondContact O-CB 3.47Å; S437-N441 PolarHBondContact O-N 3.32Å; S437-N441 VanDerWaalsContact O-N 3.12Å; V439-N441 VanDerWaalsContact C-N 3.32Å
442	S	95.5	Very high	93.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-149.6	140.8	171.9	168.4	0	0	0	0	110.3	N378 H379 L440 K444 I445 S446	N378-S442 PolarHBondContact O-OG 2.87Å; N378-S442 VanDerWaalsContact O-OG 3.07Å; H379-S442 WeakPolarHBondContact CD2-CB 3.31Å; L440-S442 VanDerWaalsContact C-N 3.33Å; L440-S442 PolarHBondContact O-N 3.39Å; S442-K444 PolarHBondContact O-N 2.86Å; S442-K444 PolarHBondContact OG-N 3.13Å; S442-I445 PolarHBondContact O-N 2.97Å; S442-I445 VanDerWaalsContact O-N 3.12Å; S442-S446 PolarHBondContact O-N 2.71Å; S442-S446 PolarHBondContact O-OG 3.25Å
443	A	96	Very high	94.4	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-50.2	-44.8	176.5	0	0	0	0	0	112.8	C344 E345 L346 S446 A447	C344-A443 HydrophobicContact CB-CB 3.94Å; E345-A443 WeakPolarHBondContact O-CB 3.48Å; L346-A443 HydrophobicContact CD2-CB 4.3Å; A443-S446 PolarHBondContact O-N 3.42Å; A443-A447 PolarHBondContact O-N 2.66Å; A443-A447 VanDerWaalsContact O-N 3.09Å
444	K	97.1	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-74.8	-32.6	-176.9	-63.4	-169.6	178.8	-173.3	0	112.3	C344 N378 S442 A447 L448 H535 L565 D572	C344-K444 HydrophobicContact CB-CG 4.32Å; N378-K444 PolarHBondContact OD1-NZ 3.49Å; S442-K444 PolarHBondContact O-N 2.86Å; S442-K444 PolarHBondContact OG-N 3.13Å; K444-A447 WeakPolarHBondContact O-CB 3.47Å; K444-A447 PolarHBondContact O-N 3.45Å; K444-L448 WeakPolarHBondContact O-CG 3.45Å; K444-L448 PolarHBondContact O-N 3.3Å; K444-H535 VanDerWaalsContact CD-O 3.26Å; K444-H535 WeakPolarHBondContact CD-O 3.49Å; K444-H535 PolarHBondContact NZ-O 2.67Å; K444-L565 HydrophobicContact CB-CD1 4.07Å; K444-L565 HydrophobicContact CD-CB 4.21Å; K444-L565 HydrophobicContact CG-CB 4.35Å; K444-D572 WeakPolarHBondContact CE-OD2 3.17Å; K444-D572 IonicContact NZ-OD2 3.23Å; K444-D572 PolarHBondContact NZ-OD2 3.45Å
445	I	96.8	Very high	95	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-40.3	172.6	-67.7	177.7	0	0	0	110.4	H379 V439 L440 S442 A447 L448 E449 I474 Y478	H379-I445 VanDerWaalsContact CD2-CD1 3.5Å; H379-I445 WeakPolarHBondContact CD2-CD1 3.2Å; H379-I445 WeakPolarHBondContact NE2-CD1 3.27Å; V439-I445 WeakPolarHBondContact O-CD1 3.37Å; L440-I445 HydrophobicContact CD2-CG2 4.44Å; S442-I445 PolarHBondContact O-N 2.97Å; S442-I445 VanDerWaalsContact O-N 3.12Å; I445-A447 VanDerWaalsContact C-N 3.26Å; I445-A447 PolarHBondContact O-N 2.86Å; I445-L448 WeakPolarHBondContact O-CB 3.39Å; I445-L448 PolarHBondContact O-N 2.98Å; I445-L448 VanDerWaalsContact O-N 3.09Å; I445-E449 WeakPolarHBondContact O-CG 3.4Å; I445-E449 PolarHBondContact O-N 3Å; I445-I474 HydrophobicContact CD1-CG2 4.04Å; I445-Y478 HydrophobicContact CG2-CD2 3.64Å; I445-Y478 HydrophobicContact CG2-CE2 3.7Å; I445-Y478 HydrophobicContact CG2-CG 4.27Å
446	S	96.2	Very high	95.2	Very high	49 Å²	49	37.2 Å²	37.2	34%	0.343	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-34.7	173.6	-58.9	0	0	0	0	112.5	S442 A443 E449	S442-S446 PolarHBondContact O-N 2.71Å; S442-S446 PolarHBondContact O-OG 3.25Å; A443-S446 PolarHBondContact O-N 3.42Å; S446-E449 PolarHBondContact O-N 2.87Å
447	A	96.7	Very high	95.3	Very high	6 Å²	6	39.4 Å²	39.4	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-43.9	170.9	0	0	0	0	0	112.1	E342 C344 A443 K444 I445 E449 K450 I451 L565	E342-A447 HydrophobicContact CG-CB 4.08Å; C344-A447 VanDerWaalsContact SG-CB 3.58Å; A443-A447 PolarHBondContact O-N 2.66Å; A443-A447 VanDerWaalsContact O-N 3.09Å; K444-A447 WeakPolarHBondContact O-CB 3.47Å; K444-A447 PolarHBondContact O-N 3.45Å; I445-A447 VanDerWaalsContact C-N 3.26Å; I445-A447 PolarHBondContact O-N 2.86Å; A447-E449 VanDerWaalsContact C-N 3.27Å; A447-E449 PolarHBondContact O-N 2.85Å; A447-K450 WeakPolarHBondContact O-CB 3.38Å; A447-K450 PolarHBondContact O-N 2.65Å; A447-I451 WeakPolarHBondContact O-CG1 3.49Å; A447-I451 PolarHBondContact O-N 3.45Å; A447-L565 HydrophobicContact CB-CD2 4.23Å
448	L	97.4	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-35.1	174.7	-69.8	176.1	0	0	0	112.7	K444 I445 K450 I451 L452 L464 L475 Y478 I533 L565	K444-L448 WeakPolarHBondContact O-CG 3.45Å; K444-L448 PolarHBondContact O-N 3.3Å; I445-L448 WeakPolarHBondContact O-CB 3.39Å; I445-L448 PolarHBondContact O-N 2.98Å; I445-L448 VanDerWaalsContact O-N 3.09Å; L448-K450 PolarHBondContact O-N 3.14Å; L448-I451 PolarHBondContact O-N 3.2Å; L448-L452 HydrophobicContact CB-CD1 4.11Å; L448-L452 HydrophobicContact CB-CG 4.4Å; L448-L452 HydrophobicContact CD2-CD1 4.43Å; L448-L452 HydrophobicContact CD2-CG 4.38Å; L448-L452 WeakPolarHBondContact O-CB 3.24Å; L448-L452 WeakPolarHBondContact O-CG 3.21Å; L448-L452 PolarHBondContact O-N 3.39Å; L448-L464 HydrophobicContact CD1-CD1 4.13Å; L448-L464 HydrophobicContact CD2-CD1 4.09Å; L448-L475 HydrophobicContact CD1-CD2 3.5Å; L448-Y478 HydrophobicContact CB-CE1 4.29Å; L448-Y478 HydrophobicContact CD1-CE1 4.47Å; L448-I533 HydrophobicContact CD2-CD1 3.89Å; L448-I533 HydrophobicContact CD2-CG2 3.96Å; L448-L565 HydrophobicContact CD2-CD1 4.07Å; L448-L565 HydrophobicContact CG-CD1 4.11Å
449	E	95.4	Very high	95.4	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-21.2	174.9	-72.6	-166.2	146.6	0	0	113.7	I445 S446 A447 P453 Y478 K482	I445-E449 WeakPolarHBondContact O-CG 3.4Å; I445-E449 PolarHBondContact O-N 3Å; S446-E449 PolarHBondContact O-N 2.87Å; A447-E449 VanDerWaalsContact C-N 3.27Å; A447-E449 PolarHBondContact O-N 2.85Å; E449-P453 VanDerWaalsContact O-CD 3.24Å; E449-P453 WeakPolarHBondContact O-CD 3.35Å; E449-P453 WeakPolarHBondContact O-CG 3.45Å; E449-Y478 HydrophobicContact CG-CE2 3.77Å; E449-Y478 WeakPolarHBondContact CG-OH 3.25Å; E449-Y478 PolarHBondContact N-OH 3.07Å; E449-K482 WeakPolarHBondContact OE1-CE 3.42Å; E449-K482 IonicContact OE1-NZ 3.18Å; E449-K482 PolarHBondContact OE1-NZ 3.07Å
450	K	95	Very high	95.6	Very high	149 Å²	149	43 Å²	43	65%	0.648	24%	0.239	S	C	*	.	H	α-helix	trans	-88.7	-44.8	172.5	-60.7	176.2	-174.2	175.4	0	111.4	A447 L448	A447-K450 WeakPolarHBondContact O-CB 3.38Å; A447-K450 PolarHBondContact O-N 2.65Å; L448-K450 PolarHBondContact O-N 3.14Å
451	I	96.6	Very high	95.8	Very high	5 Å²	5	43 Å²	43	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-74.4	-45	-172	-64.6	160.6	0	0	0	112.6	E342 A447 L448 E454 A455 I533 I563 L565	E342-I451 HydrophobicContact CG-CD1 4.11Å; A447-I451 WeakPolarHBondContact O-CG1 3.49Å; A447-I451 PolarHBondContact O-N 3.45Å; L448-I451 PolarHBondContact O-N 3.2Å; I451-E454 PolarHBondContact O-N 2.68Å; I451-A455 PolarHBondContact O-N 3.16Å; I451-I533 HydrophobicContact CG2-CD1 3.72Å; I451-I533 HydrophobicContact CG2-CG1 4.48Å; I451-I563 HydrophobicContact CD1-CG2 3.92Å; I451-I563 HydrophobicContact CG2-CD1 3.6Å; I451-L565 HydrophobicContact CD1-CD2 3.78Å
452	L	97.5	Very high	95.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-39.8	-172.7	-65.9	175.9	0	0	0	113.4	L448 E454 A455 K456 V462 Y478 L479 Y484 F511 I512 I533	L448-L452 HydrophobicContact CB-CD1 4.11Å; L448-L452 HydrophobicContact CB-CG 4.4Å; L448-L452 HydrophobicContact CD2-CD1 4.43Å; L448-L452 HydrophobicContact CD2-CG 4.38Å; L448-L452 WeakPolarHBondContact O-CB 3.24Å; L448-L452 WeakPolarHBondContact O-CG 3.21Å; L448-L452 PolarHBondContact O-N 3.39Å; L452-E454 VanDerWaalsContact C-N 3.32Å; L452-E454 PolarHBondContact O-N 2.93Å; L452-A455 PolarHBondContact O-N 2.84Å; L452-K456 WeakPolarHBondContact O-CB 3.31Å; L452-K456 PolarHBondContact O-N 3.32Å; L452-V462 HydrophobicContact CD2-CG1 4.19Å; L452-V462 HydrophobicContact CD2-CG2 4.25Å; L452-Y478 HydrophobicContact CD1-CE1 3.7Å; L452-L479 HydrophobicContact CD1-CD2 4.17Å; L452-Y484 HydrophobicContact CB-CE2 4.19Å; L452-Y484 HydrophobicContact CD1-CD2 4.5Å; L452-Y484 HydrophobicContact CD1-CE2 4.3Å; L452-F511 HydrophobicContact CB-CE1 4.37Å; L452-F511 HydrophobicContact CD2-CE1 4.44Å; L452-F511 HydrophobicContact CD2-CZ 4.42Å; L452-F511 WeakPolarHBondContact O-CZ 3.47Å; L452-I512 HydrophobicContact CD1-CD1 4.11Å; L452-I512 HydrophobicContact CD2-CD1 4.07Å; L452-I533 HydrophobicContact CD2-CD1 3.84Å
453	P	96.4	Very high	96	Very high	59 Å²	59	40.3 Å²	40.3	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-38.8	173.4	-26.2	36.7	0	0	0	113.5	E449 K456 S457	E449-P453 VanDerWaalsContact O-CD 3.24Å; E449-P453 WeakPolarHBondContact O-CD 3.35Å; E449-P453 WeakPolarHBondContact O-CG 3.45Å; P453-K456 PolarHBondContact O-N 2.82Å; P453-S457 PolarHBondContact O-N 2.88Å
454	E	95.6	Very high	96	Very high	89 Å²	89	40.2 Å²	40.2	42%	0.416	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-47.9	175.8	-175.3	-173.7	-178	0	0	111.3	R340 I451 L452 K456 S457 Q458	R340-E454 IonicContact NH2-OE2 2.69Å; I451-E454 PolarHBondContact O-N 2.68Å; L452-E454 VanDerWaalsContact C-N 3.32Å; L452-E454 PolarHBondContact O-N 2.93Å; E454-K456 VanDerWaalsContact C-N 3.26Å; E454-K456 PolarHBondContact O-N 3.38Å; E454-S457 PolarHBondContact O-N 3.29Å; E454-S457 PolarHBondContact O-OG 3.2Å; E454-Q458 WeakPolarHBondContact O-CG 3.23Å; E454-Q458 PolarHBondContact O-N 3.27Å
455	A	95.6	Very high	96	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-37.8	176.4	0	0	0	0	0	111.9	I451 L452 Q458 G459 S460 V462 F511 V531	I451-A455 PolarHBondContact O-N 3.16Å; L452-A455 PolarHBondContact O-N 2.84Å; A455-Q458 PolarHBondContact O-N 3.4Å; A455-G459 PolarHBondContact O-N 3.27Å; A455-S460 VanDerWaalsContact O-CB 3.32Å; A455-S460 WeakPolarHBondContact O-CB 3.36Å; A455-S460 PolarHBondContact O-N 3.41Å; A455-V462 HydrophobicContact CB-CG2 3.85Å; A455-F511 HydrophobicContact CB-CE2 4.28Å; A455-F511 HydrophobicContact CB-CZ 4.17Å; A455-V531 HydrophobicContact CB-CG2 4.49Å
456	K	95.2	Very high	96	Very high	109 Å²	109	40.1 Å²	40.1	47%	0.474	22%	0.222	S	C	.	.	H	α-helix	trans	-69.1	-40.7	178.4	-168.7	172.6	-178.7	-177.8	0	112.4	L452 P453 E454 Q458 G459 Y484 F511	L452-K456 WeakPolarHBondContact O-CB 3.31Å; L452-K456 PolarHBondContact O-N 3.32Å; P453-K456 PolarHBondContact O-N 2.82Å; E454-K456 VanDerWaalsContact C-N 3.26Å; E454-K456 PolarHBondContact O-N 3.38Å; K456-Q458 PolarHBondContact O-N 3.05Å; K456-G459 PolarHBondContact O-N 3.38Å; K456-G459 VanDerWaalsContact O-N 3.1Å; K456-Y484 HydrophobicContact CD-CD1 3.96Å; K456-Y484 HydrophobicContact CD-CE1 3.52Å; K456-F511 HydrophobicContact CB-CE1 4.04Å; K456-F511 HydrophobicContact CB-CE2 3.94Å; K456-F511 HydrophobicContact CB-CZ 3.63Å; K456-F511 HydrophobicContact CD-CD1 4.48Å; K456-F511 HydrophobicContact CD-CE1 4.39Å; K456-F511 HydrophobicContact CG-CE1 4.47Å; K456-F511 HydrophobicContact CG-CE2 4.44Å; K456-F511 HydrophobicContact CG-CZ 4.36Å
457	S	94.5	Very high	95.9	Very high	101 Å²	101	39.8 Å²	39.8	71%	0.706	22%	0.215	S	C	*	.	H	α-helix	trans	-66.2	-28.9	178.7	67.7	0	0	0	0	112.4	P453 E454 G459	P453-S457 PolarHBondContact O-N 2.88Å; E454-S457 PolarHBondContact O-N 3.29Å; E454-S457 PolarHBondContact O-OG 3.2Å; S457-G459 VanDerWaalsContact C-N 3.28Å; S457-G459 PolarHBondContact O-N 3.37Å
458	Q	93.7	Very high	95.8	Very high	110 Å²	110	40.9 Å²	40.9	51%	0.514	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.9	174.1	-66.2	171.4	-0.3	0	0	113.9	E454 A455 K456 S460	E454-Q458 WeakPolarHBondContact O-CG 3.23Å; E454-Q458 PolarHBondContact O-N 3.27Å; A455-Q458 PolarHBondContact O-N 3.4Å; K456-Q458 PolarHBondContact O-N 3.05Å; Q458-S460 PolarHBondContact O-N 3.04Å
459	G	93.5	Very high	95.6	Very high	54 Å²	54	44.1 Å²	44.1	56%	0.557	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	25.7	-174.8	0	0	0	0	0	113.4	A455 K456 S457	A455-G459 PolarHBondContact O-N 3.27Å; K456-G459 PolarHBondContact O-N 3.38Å; K456-G459 VanDerWaalsContact O-N 3.1Å; S457-G459 VanDerWaalsContact C-N 3.28Å; S457-G459 PolarHBondContact O-N 3.37Å
460	S	95.6	Very high	95.5	Very high	7 Å²	7	43 Å²	43	5%	0.049	23%	0.234	C	C	.	.			trans	-81.2	149.9	178.1	-66.3	0	0	0	0	111.2	A455 Q458 F511 N530	A455-S460 VanDerWaalsContact O-CB 3.32Å; A455-S460 WeakPolarHBondContact O-CB 3.36Å; A455-S460 PolarHBondContact O-N 3.41Å; Q458-S460 PolarHBondContact O-N 3.04Å; S460-F511 VanDerWaalsContact O-CD2 3.27Å; S460-F511 WeakPolarHBondContact O-CD2 3.36Å; S460-F511 WeakPolarHBondContact O-CE2 3.46Å; S460-N530 VanDerWaalsContact CA-OD1 3.25Å; S460-N530 WeakPolarHBondContact CA-OD1 3.38Å; S460-N530 WeakPolarHBondContact CB-OD1 3.34Å; S460-N530 PolarHBondContact OG-ND2 3.33Å; S460-N530 PolarHBondContact OG-OD1 2.86Å
461	K	97	Very high	95.6	Very high	33 Å²	33	36 Å²	36	14%	0.143	20%	0.204	C	C	.	.			trans	-104.2	138.8	170	-82.1	-175.8	178.8	177.9	0	109.5	F505 S508 V510 A529 N530 V531	K461-F505 HydrophobicContact CB-CZ 4.03Å; K461-F505 HydrophobicContact CD-CE2 4.37Å; K461-F505 HydrophobicContact CD-CZ 4.12Å; K461-F505 HydrophobicContact CG-CZ 4.48Å; K461-F505 PolarHBondContact NZ-O 3.1Å; K461-S508 WeakPolarHBondContact CE-O 3.45Å; K461-S508 PolarHBondContact NZ-O 2.58Å; K461-V510 WeakPolarHBondContact CE-O 3.49Å; K461-A529 HydrophobicContact CB-CB 4.23Å; K461-A529 WeakPolarHBondContact O-CB 3.48Å; K461-N530 PolarHBondContact N-OD1 3.14Å; K461-N530 PolarHBondContact O-N 3.24Å; K461-N530 VanDerWaalsContact O-N 3.12Å; K461-N530 PolarHBondContact O-OD1 3.01Å; K461-V531 PolarHBondContact O-N 3.1Å
462	V	97.4	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.1	-168.8	-178.4	0	0	0	0	111.3	L452 A455 F511 I512 F513 V531 I533	L452-V462 HydrophobicContact CD2-CG1 4.19Å; L452-V462 HydrophobicContact CD2-CG2 4.25Å; A455-V462 HydrophobicContact CB-CG2 3.85Å; V462-F511 HydrophobicContact CG2-CE2 3.78Å; V462-F511 HydrophobicContact CG2-CZ 3.95Å; V462-F511 PolarHBondContact N-O 3.32Å; V462-I512 HydrophobicContact CB-CG1 4.18Å; V462-I512 CarbonylContact O-C 3.59Å; V462-I512 WeakPolarHBondContact O-CA 3.43Å; V462-F513 PolarHBondContact O-N 2.93Å; V462-V531 CarbonylContact C-O 3.56Å; V462-V531 VanDerWaalsContact CA-O 3.32Å; V462-V531 WeakPolarHBondContact CA-O 3.37Å; V462-V531 HydrophobicContact CG1-CG1 4.41Å; V462-V531 HydrophobicContact CG2-CB 4.1Å; V462-V531 HydrophobicContact CG2-CG1 4.23Å; V462-I533 HydrophobicContact CG1-CD1 3.68Å; V462-I533 HydrophobicContact CG1-CG1 3.92Å
463	L	96.8	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	163	-55.1	-176.9	0	0	0	108.6	F465 F505 F513 L515 L526 A529 V531 I532 I533 C551	L463-F465 HydrophobicContact CB-CD2 4.34Å; L463-F465 HydrophobicContact CB-CE2 3.7Å; L463-F465 HydrophobicContact CB-CZ 4.25Å; L463-F465 HydrophobicContact CD1-CE2 4.18Å; L463-F465 HydrophobicContact CD1-CZ 4.24Å; L463-F505 HydrophobicContact CD2-CE1 3.72Å; L463-F505 HydrophobicContact CD2-CZ 3.84Å; L463-F513 HydrophobicContact CD2-CB 3.67Å; L463-F513 HydrophobicContact CD2-CD2 4.48Å; L463-F513 HydrophobicContact CD2-CG 4.41Å; L463-L515 HydrophobicContact CD2-CD1 4.24Å; L463-L526 HydrophobicContact CD1-CB 3.9Å; L463-L526 HydrophobicContact CD1-CD1 3.83Å; L463-L526 HydrophobicContact CD2-CB 4.3Å; L463-L526 HydrophobicContact CD2-CD1 4.02Å; L463-A529 HydrophobicContact CD1-CB 4.09Å; L463-A529 HydrophobicContact CD2-CB 3.72Å; L463-A529 HydrophobicContact CG-CB 3.54Å; L463-V531 PolarHBondContact N-O 3.05Å; L463-I532 CarbonylContact O-C 3.58Å; L463-I532 WeakPolarHBondContact O-CA 3.25Å; L463-I533 PolarHBondContact O-N 2.64Å; L463-C551 HydrophobicContact CD1-CB 3.8Å
464	L	97	Very high	95.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	109.8	179.3	-165	168	0	0	0	109.1	L448 L475 I512 F513 L514 L515 I533 H535	L448-L464 HydrophobicContact CD1-CD1 4.13Å; L448-L464 HydrophobicContact CD2-CD1 4.09Å; L464-L475 HydrophobicContact CD1-CD1 4.09Å; L464-L475 HydrophobicContact CD2-CD1 3.37Å; L464-L475 HydrophobicContact CG-CD1 4.4Å; L464-I512 HydrophobicContact CB-CG2 4.26Å; L464-F513 PolarHBondContact N-O 3.21Å; L464-L514 HydrophobicContact CB-CD2 4.03Å; L464-L514 HydrophobicContact CD1-CD2 4.18Å; L464-L514 HydrophobicContact CD2-CD2 4.22Å; L464-L514 HydrophobicContact CG-CD2 4.37Å; L464-L515 PolarHBondContact O-N 2.73Å; L464-I533 WeakPolarHBondContact CA-O 3.41Å; L464-I533 HydrophobicContact CG-CB 4.35Å; L464-H535 HydrophobicContact CD2-CB 3.99Å
465	F	96.5	Very high	95.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141	-179.2	-66.7	-81.3	0	0	0	112.1	L463 L515 I532 I533 L534 H535 A547	L463-F465 HydrophobicContact CB-CD2 4.34Å; L463-F465 HydrophobicContact CB-CE2 3.7Å; L463-F465 HydrophobicContact CB-CZ 4.25Å; L463-F465 HydrophobicContact CD1-CE2 4.18Å; L463-F465 HydrophobicContact CD1-CZ 4.24Å; F465-L515 VanDerWaalsContact CA-O 3.26Å; F465-L515 WeakPolarHBondContact CA-O 3.49Å; F465-L515 HydrophobicContact CD1-CB 3.45Å; F465-L515 VanDerWaalsContact CD1-CB 3.45Å; F465-L515 HydrophobicContact CD1-CD1 4.25Å; F465-L515 HydrophobicContact CD1-CG 4.48Å; F465-L515 HydrophobicContact CE1-CB 3.43Å; F465-L515 VanDerWaalsContact CE1-CB 3.43Å; F465-L515 HydrophobicContact CE1-CD1 3.43Å; F465-L515 VanDerWaalsContact CE1-CD1 3.43Å; F465-L515 HydrophobicContact CE1-CG 4.03Å; F465-L515 HydrophobicContact CE2-CD1 4.43Å; F465-L515 HydrophobicContact CG-CB 4.36Å; F465-L515 HydrophobicContact CZ-CB 4.32Å; F465-L515 HydrophobicContact CZ-CD1 3.54Å; F465-I532 HydrophobicContact CD2-CG2 3.75Å; F465-I532 HydrophobicContact CE2-CG2 3.74Å; F465-I533 PolarHBondContact N-O 3.09Å; F465-L534 HydrophobicContact CB-CD2 3.75Å; F465-L534 HydrophobicContact CD2-CD2 3.8Å; F465-L534 HydrophobicContact CG-CD2 4.09Å; F465-H535 WeakPolarHBondContact O-CB 3.27Å; F465-H535 PolarHBondContact O-N 3.44Å; F465-A547 HydrophobicContact CD1-CB 4.22Å; F465-A547 HydrophobicContact CE1-CB 3.87Å; F465-A547 HydrophobicContact CE2-CB 4.32Å; F465-A547 HydrophobicContact CZ-CB 3.93Å
466	S	96.5	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.7	167	-178.9	0	0	0	0	111.4	F468 L515 S516 T517 D536	S466-F468 VanDerWaalsContact C-N 3.33Å; S466-F468 PolarHBondContact OG-N 3.27Å; S466-F468 VanDerWaalsContact OG-N 3.15Å; S466-F468 PolarHBondContact OG-O 3.49Å; S466-L515 PolarHBondContact N-O 2.91Å; S466-S516 VanDerWaalsContact O-CA 3.31Å; S466-S516 WeakPolarHBondContact O-CA 3.42Å; S466-T517 PolarHBondContact O-N 2.94Å; S466-T517 VanDerWaalsContact O-N 3.14Å; S466-D536 WeakPolarHBondContact CA-OD1 3.38Å; S466-D536 VanDerWaalsContact CB-OD1 3.23Å; S466-D536 WeakPolarHBondContact CB-OD1 3.34Å; S466-D536 PolarHBondContact OG-OD1 3.37Å
467	Q	94.3	Very high	95.6	Very high	41 Å²	41	28.4 Å²	28.4	19%	0.192	17%	0.167	C	C	.	.	S	Bend	trans	-78.6	-21.5	171	-49.9	-63.3	-29.2	0	0	112	T517 D536 D538 D544	Q467-T517 PolarHBondContact NE2-OG1 3.27Å; Q467-D536 WeakPolarHBondContact CB-OD2 3.49Å; Q467-D536 WeakPolarHBondContact CG-OD2 3.43Å; Q467-D536 PolarHBondContact N-OD1 2.98Å; Q467-D536 VanDerWaalsContact N-OD1 3.1Å; Q467-D536 PolarHBondContact N-OD2 3.33Å; Q467-D538 PolarHBondContact OE1-OD2 2.86Å; Q467-D544 PolarHBondContact NE2-OD1 3.27Å
468	F	93.9	Very high	95.7	Very high	30 Å²	30	23.6 Å²	23.6	13%	0.132	13%	0.133	C	C	.	.			trans	-106.4	116.4	-174.7	-67.1	-102.4	0	0	0	110.7	M371 R374 K375 N378 S466 M470 V471 L472 D536	M371-F468 HydrophobicContact SD-CE1 3.57Å; M371-F468 VanDerWaalsContact SD-CE1 3.57Å; M371-F468 HydrophobicContact SD-CZ 3.58Å; M371-F468 VanDerWaalsContact SD-CZ 3.58Å; R374-F468 HydrophobicContact CB-CZ 4.16Å; K375-F468 HydrophobicContact CG-CE1 4.14Å; N378-F468 VanDerWaalsContact ND2-CD2 3.34Å; N378-F468 WeakPolarHBondContact ND2-CD2 3.46Å; N378-F468 WeakPolarHBondContact ND2-CE2 3.48Å; S466-F468 VanDerWaalsContact C-N 3.33Å; S466-F468 PolarHBondContact OG-N 3.27Å; S466-F468 VanDerWaalsContact OG-N 3.15Å; S466-F468 PolarHBondContact OG-O 3.49Å; F468-M470 PolarHBondContact O-N 2.93Å; F468-V471 HydrophobicContact CB-CB 4.1Å; F468-V471 HydrophobicContact CB-CG2 3.69Å; F468-V471 HydrophobicContact CG-CG2 4.43Å; F468-V471 WeakPolarHBondContact O-CB 3.41Å; F468-V471 PolarHBondContact O-N 3.43Å; F468-L472 PolarHBondContact O-N 2.71Å; F468-D536 WeakPolarHBondContact CD2-OD2 3.38Å
469	T	94.2	Very high	95.8	Very high	67 Å²	67	18.4 Å²	18.4	41%	0.411	11%	0.109	S	C	.	.	H	α-helix	trans	-60.4	-31.7	174.7	52.1	0	0	0	0	112.5	V471 L472 D473 R488 D490	T469-V471 VanDerWaalsContact C-N 3.29Å; T469-V471 PolarHBondContact O-N 2.64Å; T469-L472 WeakPolarHBondContact O-CB 3.27Å; T469-L472 PolarHBondContact O-N 2.94Å; T469-L472 VanDerWaalsContact O-N 3.11Å; T469-D473 PolarHBondContact O-N 2.76Å; T469-D473 VanDerWaalsContact O-N 3.1Å; T469-R488 PolarHBondContact O-NH2 3.13Å; T469-D490 HydrophobicContact CG2-CB 4.19Å
470	M	93.5	Very high	95.9	Very high	45 Å²	45	21.3 Å²	21.3	22%	0.222	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-30.7	174.5	-62.1	-179.9	71.4	0	0	113.1	L382 S416 D419 F468 L472 D473 I474	L382-M470 HydrophobicContact CD2-CB 3.58Å; L382-M470 HydrophobicContact CD2-CE 4.15Å; L382-M470 HydrophobicContact CD2-SD 4.41Å; S416-M470 WeakPolarHBondContact OG-CE 3.38Å; D419-M470 WeakPolarHBondContact OD1-CE 3.33Å; D419-M470 VanDerWaalsContact OD2-CE 3.25Å; D419-M470 WeakPolarHBondContact OD2-CE 3.13Å; F468-M470 PolarHBondContact O-N 2.93Å; M470-L472 VanDerWaalsContact C-N 3.35Å; M470-D473 PolarHBondContact O-N 3.4Å; M470-I474 WeakPolarHBondContact O-CG1 3.33Å; M470-I474 PolarHBondContact O-N 2.65Å; M470-I474 VanDerWaalsContact O-N 3.16Å
471	V	96.3	Very high	95.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-69	-38.8	172.8	171.3	0	0	0	0	109.7	N378 L382 F468 T469 D473 I474 L475	N378-V471 HydrophobicContact CB-CG2 4.13Å; L382-V471 HydrophobicContact CD1-CG2 3.68Å; F468-V471 HydrophobicContact CB-CB 4.1Å; F468-V471 HydrophobicContact CB-CG2 3.69Å; F468-V471 HydrophobicContact CG-CG2 4.43Å; F468-V471 WeakPolarHBondContact O-CB 3.41Å; F468-V471 PolarHBondContact O-N 3.43Å; T469-V471 VanDerWaalsContact C-N 3.29Å; T469-V471 PolarHBondContact O-N 2.64Å; V471-D473 VanDerWaalsContact C-N 3.31Å; V471-D473 PolarHBondContact O-N 3.24Å; V471-I474 WeakPolarHBondContact O-CB 3.15Å; V471-I474 PolarHBondContact O-N 3.47Å; V471-I474 VanDerWaalsContact O-N 3.14Å; V471-L475 HydrophobicContact CG1-CD1 3.89Å; V471-L475 HydrophobicContact CG1-CG 4.16Å; V471-L475 WeakPolarHBondContact O-CB 3.48Å; V471-L475 VanDerWaalsContact O-CG 3.27Å; V471-L475 WeakPolarHBondContact O-CG 3.4Å; V471-L475 PolarHBondContact O-N 2.96Å
472	L	96.8	Very high	95.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-41.8	174	-56.1	-179.2	0	0	0	111.5	F468 T469 M470 I474 L475 E476 D490 L514	F468-L472 PolarHBondContact O-N 2.71Å; T469-L472 WeakPolarHBondContact O-CB 3.27Å; T469-L472 PolarHBondContact O-N 2.94Å; T469-L472 VanDerWaalsContact O-N 3.11Å; M470-L472 VanDerWaalsContact C-N 3.35Å; L472-I474 VanDerWaalsContact C-N 3.34Å; L472-I474 PolarHBondContact O-N 2.77Å; L472-L475 HydrophobicContact CD2-CD1 4.38Å; L472-L475 PolarHBondContact O-N 3.1Å; L472-E476 WeakPolarHBondContact O-CG 3.32Å; L472-E476 PolarHBondContact O-N 3.11Å; L472-D490 HydrophobicContact CD1-CB 4.24Å; L472-L514 HydrophobicContact CD2-CB 4.33Å
473	D	95.6	Very high	95.7	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-41.8	174.3	-66.2	16.1	0	0	0	112.1	F418 K422 T469 M470 V471 E476 V477 R488	F418-D473 HydrophobicContact CD1-CB 4.39Å; F418-D473 HydrophobicContact CE1-CB 3.36Å; F418-D473 HydrophobicContact CZ-CB 3.8Å; K422-D473 IonicContact NZ-OD2 3.01Å; K422-D473 PolarHBondContact NZ-OD2 2.99Å; T469-D473 PolarHBondContact O-N 2.76Å; T469-D473 VanDerWaalsContact O-N 3.1Å; M470-D473 PolarHBondContact O-N 3.4Å; V471-D473 VanDerWaalsContact C-N 3.31Å; V471-D473 PolarHBondContact O-N 3.24Å; D473-E476 PolarHBondContact O-N 3.16Å; D473-V477 PolarHBondContact O-N 2.93Å; D473-R488 IonicContact OD1-CZ 3.9Å; D473-R488 IonicContact OD1-NH1 2.69Å; D473-R488 PolarHBondContact OD1-NH1 3.33Å; D473-R488 IonicContact OD1-NH2 3.47Å; D473-R488 PolarHBondContact OD1-NH2 2.75Å
474	I	96.3	Very high	95.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-44.8	175.9	-71.5	166.7	0	0	0	110.4	H379 L381 L382 F418 V439 I445 M470 V471 L472 E476 V477 Y478	H379-I474 HydrophobicContact CB-CD1 4.04Å; L381-I474 HydrophobicContact CB-CD1 4.47Å; L382-I474 HydrophobicContact CD2-CD1 3.78Å; L382-I474 HydrophobicContact CG-CD1 4.09Å; F418-I474 HydrophobicContact CB-CD1 4.34Å; F418-I474 HydrophobicContact CB-CG1 4.38Å; F418-I474 HydrophobicContact CD1-CG1 3.94Å; F418-I474 HydrophobicContact CD2-CD1 4.17Å; F418-I474 HydrophobicContact CD2-CG1 3.38Å; F418-I474 HydrophobicContact CE1-CG1 4.05Å; F418-I474 HydrophobicContact CE2-CB 4.24Å; F418-I474 HydrophobicContact CE2-CG1 3.48Å; F418-I474 VanDerWaalsContact CE2-CG1 3.48Å; F418-I474 HydrophobicContact CG-CD1 4.08Å; F418-I474 HydrophobicContact CG-CG1 3.6Å; F418-I474 HydrophobicContact CZ-CB 4.45Å; F418-I474 HydrophobicContact CZ-CG1 3.81Å; V439-I474 HydrophobicContact CG1-CG2 3.98Å; I445-I474 HydrophobicContact CD1-CG2 4.04Å; M470-I474 WeakPolarHBondContact O-CG1 3.33Å; M470-I474 PolarHBondContact O-N 2.65Å; M470-I474 VanDerWaalsContact O-N 3.16Å; V471-I474 WeakPolarHBondContact O-CB 3.15Å; V471-I474 PolarHBondContact O-N 3.47Å; V471-I474 VanDerWaalsContact O-N 3.14Å; L472-I474 VanDerWaalsContact C-N 3.34Å; L472-I474 PolarHBondContact O-N 2.77Å; I474-E476 VanDerWaalsContact C-N 3.32Å; I474-E476 PolarHBondContact O-N 2.96Å; I474-V477 WeakPolarHBondContact O-CB 3.16Å; I474-V477 PolarHBondContact O-N 3Å; I474-V477 VanDerWaalsContact O-N 3.16Å; I474-Y478 PolarHBondContact O-N 3.32Å; I474-Y478 VanDerWaalsContact O-N 3.13Å
475	L	97.2	Very high	95.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-36.1	179.4	-70	171.8	0	0	0	111.7	L448 L464 V471 L472 V477 Y478 L479 L514	L448-L475 HydrophobicContact CD1-CD2 3.5Å; L464-L475 HydrophobicContact CD1-CD1 4.09Å; L464-L475 HydrophobicContact CD2-CD1 3.37Å; L464-L475 HydrophobicContact CG-CD1 4.4Å; V471-L475 HydrophobicContact CG1-CD1 3.89Å; V471-L475 HydrophobicContact CG1-CG 4.16Å; V471-L475 WeakPolarHBondContact O-CB 3.48Å; V471-L475 VanDerWaalsContact O-CG 3.27Å; V471-L475 WeakPolarHBondContact O-CG 3.4Å; V471-L475 PolarHBondContact O-N 2.96Å; L472-L475 HydrophobicContact CD2-CD1 4.38Å; L472-L475 PolarHBondContact O-N 3.1Å; L475-V477 VanDerWaalsContact C-N 3.31Å; L475-V477 PolarHBondContact O-N 3.23Å; L475-Y478 WeakPolarHBondContact O-CB 3.35Å; L475-Y478 PolarHBondContact O-N 2.55Å; L475-L479 WeakPolarHBondContact O-CB 3.27Å; L475-L479 VanDerWaalsContact O-CG 3.24Å; L475-L479 WeakPolarHBondContact O-CG 3.45Å; L475-L479 PolarHBondContact O-N 3.35Å; L475-L514 HydrophobicContact CB-CD2 4.32Å; L475-L514 HydrophobicContact CD1-CD2 4.34Å
476	E	96.7	Very high	95.7	Very high	46 Å²	46	43.2 Å²	43.2	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-43.8	172.8	-72.9	-168.6	97.3	0	0	112	L472 D473 I474 Y478 L479 Q480 Y486 R488 L514	L472-E476 WeakPolarHBondContact O-CG 3.32Å; L472-E476 PolarHBondContact O-N 3.11Å; D473-E476 PolarHBondContact O-N 3.16Å; I474-E476 VanDerWaalsContact C-N 3.32Å; I474-E476 PolarHBondContact O-N 2.96Å; E476-Y478 VanDerWaalsContact C-N 3.32Å; E476-Y478 PolarHBondContact O-N 3.4Å; E476-L479 PolarHBondContact O-N 2.95Å; E476-Q480 WeakPolarHBondContact O-CB 3.23Å; E476-Q480 WeakPolarHBondContact O-CG 3.31Å; E476-Q480 PolarHBondContact O-N 3.49Å; E476-Y486 HydrophobicContact CB-CE2 4.39Å; E476-Y486 HydrophobicContact CG-CE2 3.65Å; E476-Y486 WeakPolarHBondContact OE1-CE2 3.26Å; E476-Y486 PolarHBondContact OE1-OH 2.86Å; E476-R488 IonicContact OE2-CZ 2.6Å; E476-R488 IonicContact OE2-NH1 3.01Å; E476-R488 PolarHBondContact OE2-NH1 3.24Å; E476-L514 HydrophobicContact CG-CD1 3.64Å
477	V	94.9	Very high	95.7	Very high	34 Å²	34	43.9 Å²	43.9	21%	0.206	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-41.8	177	179.7	0	0	0	0	111	F418 V439 D473 I474 L475 H481	F418-V477 HydrophobicContact CE2-CG2 4.27Å; F418-V477 HydrophobicContact CZ-CG2 4.23Å; V439-V477 HydrophobicContact CB-CG1 4.41Å; V439-V477 HydrophobicContact CG1-CB 4.06Å; V439-V477 HydrophobicContact CG1-CG1 3.93Å; V439-V477 HydrophobicContact CG2-CG1 4.26Å; D473-V477 PolarHBondContact O-N 2.93Å; I474-V477 WeakPolarHBondContact O-CB 3.16Å; I474-V477 PolarHBondContact O-N 3Å; I474-V477 VanDerWaalsContact O-N 3.16Å; L475-V477 VanDerWaalsContact C-N 3.31Å; L475-V477 PolarHBondContact O-N 3.23Å; V477-H481 WeakPolarHBondContact O-CB 3.37Å; V477-H481 PolarHBondContact O-N 3.37Å
478	Y	96	Very high	95.8	Very high	1 Å²	1	44 Å²	44	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-49.2	174.7	164.2	-104.7	0	0	0	112.4	L440 I445 L448 E449 L452 I474 L475 E476 Q480 H481 K482	L440-Y478 HydrophobicContact CD2-CD2 3.51Å; L440-Y478 HydrophobicContact CD2-CE2 4.2Å; I445-Y478 HydrophobicContact CG2-CD2 3.64Å; I445-Y478 HydrophobicContact CG2-CE2 3.7Å; I445-Y478 HydrophobicContact CG2-CG 4.27Å; L448-Y478 HydrophobicContact CB-CE1 4.29Å; L448-Y478 HydrophobicContact CD1-CE1 4.47Å; E449-Y478 HydrophobicContact CG-CE2 3.77Å; E449-Y478 WeakPolarHBondContact CG-OH 3.25Å; E449-Y478 PolarHBondContact N-OH 3.07Å; L452-Y478 HydrophobicContact CD1-CE1 3.7Å; I474-Y478 PolarHBondContact O-N 3.32Å; I474-Y478 VanDerWaalsContact O-N 3.13Å; L475-Y478 WeakPolarHBondContact O-CB 3.35Å; L475-Y478 PolarHBondContact O-N 2.55Å; E476-Y478 VanDerWaalsContact C-N 3.32Å; E476-Y478 PolarHBondContact O-N 3.4Å; Y478-Q480 PolarHBondContact O-N 3.07Å; Y478-H481 WeakPolarHBondContact O-CB 3.38Å; Y478-H481 PolarHBondContact O-N 2.8Å; Y478-K482 HydrophobicContact CD2-CG 4.18Å; Y478-K482 HydrophobicContact CE2-CD 4.41Å; Y478-K482 HydrophobicContact CE2-CG 3.73Å; Y478-K482 PolarHBondContact O-N 2.97Å
479	L	96.8	Very high	95.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-38.7	-178.4	-66.3	-177	0	0	0	112.1	L452 L475 E476 K482 K483 Y484 Y486 I512 L514	L452-L479 HydrophobicContact CD1-CD2 4.17Å; L475-L479 WeakPolarHBondContact O-CB 3.27Å; L475-L479 VanDerWaalsContact O-CG 3.24Å; L475-L479 WeakPolarHBondContact O-CG 3.45Å; L475-L479 PolarHBondContact O-N 3.35Å; E476-L479 PolarHBondContact O-N 2.95Å; L479-K482 CarbonylContact O-C 3.58Å; L479-K482 PolarHBondContact O-N 3.12Å; L479-K483 PolarHBondContact O-N 2.91Å; L479-Y484 HydrophobicContact CD2-CD2 3.87Å; L479-Y484 PolarHBondContact O-N 3.39Å; L479-Y486 HydrophobicContact CB-CD1 3.88Å; L479-Y486 HydrophobicContact CB-CE1 4.25Å; L479-Y486 HydrophobicContact CB-CG 4.48Å; L479-Y486 HydrophobicContact CD1-CD1 4.13Å; L479-Y486 HydrophobicContact CD1-CD2 4.46Å; L479-Y486 HydrophobicContact CD1-CG 3.88Å; L479-I512 HydrophobicContact CD1-CB 4.42Å; L479-I512 HydrophobicContact CD1-CD1 4.11Å; L479-I512 HydrophobicContact CD1-CG2 4.04Å; L479-I512 HydrophobicContact CD2-CD1 3.42Å; L479-I512 VanDerWaalsContact CD2-CD1 3.42Å; L479-I512 HydrophobicContact CG-CD1 4.4Å; L479-L514 HydrophobicContact CD1-CD1 4.07Å; L479-L514 HydrophobicContact CD1-CD2 3.97Å; L479-L514 HydrophobicContact CD1-CG 4.13Å
480	Q	95.6	Very high	95.7	Very high	115 Å²	115	39.6 Å²	39.6	54%	0.537	19%	0.187	S	C	.	.	H	α-helix	trans	-62	-43.5	172.6	-72.9	172.1	5.2	0	0	111.4	E476 Y478 K482 K483 Y486	E476-Q480 WeakPolarHBondContact O-CB 3.23Å; E476-Q480 WeakPolarHBondContact O-CG 3.31Å; E476-Q480 PolarHBondContact O-N 3.49Å; Y478-Q480 PolarHBondContact O-N 3.07Å; Q480-K482 PolarHBondContact O-N 3Å; Q480-K483 PolarHBondContact O-N 3.27Å; Q480-K483 VanDerWaalsContact O-N 3.17Å; Q480-Y486 HydrophobicContact CG-CE1 3.95Å; Q480-Y486 PolarHBondContact NE2-OH 2.86Å
481	H	94.9	Very high	95.4	Very high	96 Å²	96	40.3 Å²	40.3	44%	0.444	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-41.7	177.2	179.9	66.9	0	0	0	112.4	V436 V477 Y478 K483	V436-H481 HydrophobicContact CG1-CB 4.12Å; V477-H481 WeakPolarHBondContact O-CB 3.37Å; V477-H481 PolarHBondContact O-N 3.37Å; Y478-H481 WeakPolarHBondContact O-CB 3.38Å; Y478-H481 PolarHBondContact O-N 2.8Å; H481-K483 VanDerWaalsContact C-N 3.26Å; H481-K483 PolarHBondContact O-N 3.22Å
482	K	94.7	Very high	95.1	Very high	76 Å²	76	45 Å²	45	33%	0.33	24%	0.239	S	C	.	.	H	α-helix	trans	-79	-4.6	175.9	-64.2	-63.9	-174.5	179.9	0	114.1	E449 Y478 L479 Q480 Y484	E449-K482 WeakPolarHBondContact OE1-CE 3.42Å; E449-K482 IonicContact OE1-NZ 3.18Å; E449-K482 PolarHBondContact OE1-NZ 3.07Å; Y478-K482 HydrophobicContact CD2-CG 4.18Å; Y478-K482 HydrophobicContact CE2-CD 4.41Å; Y478-K482 HydrophobicContact CE2-CG 3.73Å; Y478-K482 PolarHBondContact O-N 2.97Å; L479-K482 CarbonylContact O-C 3.58Å; L479-K482 PolarHBondContact O-N 3.12Å; Q480-K482 PolarHBondContact O-N 3Å; K482-Y484 VanDerWaalsContact C-N 3.34Å; K482-Y484 HydrophobicContact CB-CD2 3.63Å; K482-Y484 HydrophobicContact CB-CE2 3.58Å; K482-Y484 HydrophobicContact CB-CG 4.36Å; K482-Y484 HydrophobicContact CG-CE2 4.17Å; K482-Y484 PolarHBondContact O-N 2.92Å
483	K	95.3	Very high	94.7	Very high	182 Å²	182	45.8 Å²	45.8	79%	0.791	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	41.5	-178.3	-51.3	-178.7	-174.3	-179.8	0	113.2	L479 Q480 H481	L479-K483 PolarHBondContact O-N 2.91Å; Q480-K483 PolarHBondContact O-N 3.27Å; Q480-K483 VanDerWaalsContact O-N 3.17Å; H481-K483 VanDerWaalsContact C-N 3.26Å; H481-K483 PolarHBondContact O-N 3.22Å
484	Y	96.8	Very high	94.2	Very high	32 Å²	32	47.8 Å²	47.8	13%	0.125	26%	0.258	C	S	.	.			trans	-87.9	139.5	171.1	-66.9	-45.5	0	0	0	111	L452 K456 L479 K482 F511 I512	L452-Y484 HydrophobicContact CB-CE2 4.19Å; L452-Y484 HydrophobicContact CD1-CD2 4.5Å; L452-Y484 HydrophobicContact CD1-CE2 4.3Å; K456-Y484 HydrophobicContact CD-CD1 3.96Å; K456-Y484 HydrophobicContact CD-CE1 3.52Å; L479-Y484 HydrophobicContact CD2-CD2 3.87Å; L479-Y484 PolarHBondContact O-N 3.39Å; K482-Y484 VanDerWaalsContact C-N 3.34Å; K482-Y484 HydrophobicContact CB-CD2 3.63Å; K482-Y484 HydrophobicContact CB-CE2 3.58Å; K482-Y484 HydrophobicContact CB-CG 4.36Å; K482-Y484 HydrophobicContact CG-CE2 4.17Å; K482-Y484 PolarHBondContact O-N 2.92Å; Y484-F511 AromaticContact CD1-CD1 3.83Å; Y484-F511 HydrophobicContact CD1-CD1 3.83Å; Y484-F511 HydrophobicContact CD1-CE1 4.02Å; Y484-F511 HydrophobicContact CE1-CD1 4.44Å; Y484-F511 HydrophobicContact CE1-CE1 4.21Å; Y484-F511 AromaticContact CG-CD1 4Å; Y484-F511 HydrophobicContact CG-CD1 4Å; Y484-F511 HydrophobicContact CG-CE1 4.22Å; Y484-I512 HydrophobicContact CD2-CD1 4.28Å; Y484-I512 HydrophobicContact CG-CD1 4.36Å
485	S	96.9	Very high	93.3	Very high	59 Å²	59	52.2 Å²	52.2	41%	0.413	29%	0.285	S	S	.	.			trans	-73.6	131.6	171.3	52.4	0	0	0	0	109.6	D509 F511 I512	S485-D509 PolarHBondContact OG-O 3.42Å; S485-F511 PolarHBondContact O-N 3.25Å; S485-F511 PolarHBondContact OG-N 2.91Å; S485-I512 PolarHBondContact O-N 3.46Å; S485-I512 VanDerWaalsContact O-N 3.14Å
486	Y	97.7	Very high	92.6	Very high	55 Å²	55	58.6 Å²	58.6	22%	0.216	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.1	-178.3	74.1	-89.5	0	0	0	112.8	E476 L479 Q480 I512 L514	E476-Y486 HydrophobicContact CB-CE2 4.39Å; E476-Y486 HydrophobicContact CG-CE2 3.65Å; E476-Y486 WeakPolarHBondContact OE1-CE2 3.26Å; E476-Y486 PolarHBondContact OE1-OH 2.86Å; L479-Y486 HydrophobicContact CB-CD1 3.88Å; L479-Y486 HydrophobicContact CB-CE1 4.25Å; L479-Y486 HydrophobicContact CB-CG 4.48Å; L479-Y486 HydrophobicContact CD1-CD1 4.13Å; L479-Y486 HydrophobicContact CD1-CD2 4.46Å; L479-Y486 HydrophobicContact CD1-CG 3.88Å; Q480-Y486 HydrophobicContact CG-CE1 3.95Å; Q480-Y486 PolarHBondContact NE2-OH 2.86Å; Y486-I512 CarbonylContact C-O 3.01Å; Y486-I512 WeakPolarHBondContact CA-O 3.41Å; Y486-I512 WeakPolarHBondContact CB-O 3.28Å; Y486-L514 HydrophobicContact CD2-CD1 4.04Å; Y486-L514 HydrophobicContact CD2-CG 4.48Å; Y486-L514 HydrophobicContact CE2-CD1 4.35Å
487	V	96.5	Very high	92.2	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157.9	165.5	-71.6	0	0	0	0	110	F505 V510 I512 F513 L514	V487-F505 HydrophobicContact CG2-CB 4.16Å; V487-F505 HydrophobicContact CG2-CD2 3.99Å; V487-F505 HydrophobicContact CG2-CG 4.42Å; V487-V510 HydrophobicContact CG1-CG1 4.24Å; V487-V510 HydrophobicContact CG1-CG2 4.41Å; V487-V510 HydrophobicContact CG2-CG1 4.15Å; V487-I512 PolarHBondContact N-O 2.99Å; V487-F513 HydrophobicContact CG2-CB 4.09Å; V487-F513 HydrophobicContact CG2-CD1 3.61Å; V487-F513 HydrophobicContact CG2-CD2 3.81Å; V487-F513 HydrophobicContact CG2-CE1 3.85Å; V487-F513 HydrophobicContact CG2-CE2 4.05Å; V487-F513 HydrophobicContact CG2-CG 3.57Å; V487-F513 HydrophobicContact CG2-CZ 4.07Å; V487-L514 PolarHBondContact O-N 3.11Å
488	R	95.7	Very high	91.8	Very high	44 Å²	44	62.2 Å²	62.2	17%	0.166	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136	-178.4	178	-179.6	170	159.7	1.6	111.5	T469 D473 E476 D490 L514	T469-R488 PolarHBondContact O-NH2 3.13Å; D473-R488 IonicContact OD1-CZ 3.9Å; D473-R488 IonicContact OD1-NH1 2.69Å; D473-R488 PolarHBondContact OD1-NH1 3.33Å; D473-R488 IonicContact OD1-NH2 3.47Å; D473-R488 PolarHBondContact OD1-NH2 2.75Å; E476-R488 IonicContact OE2-CZ 2.6Å; E476-R488 IonicContact OE2-NH1 3.01Å; E476-R488 PolarHBondContact OE2-NH1 3.24Å; R488-D490 IonicContact CZ-OD2 3.81Å; R488-D490 VanDerWaalsContact CZ-OD2 3.25Å; R488-D490 IonicContact NE-OD2 3.23Å; R488-D490 PolarHBondContact NE-OD2 3.08Å; R488-D490 IonicContact NH2-OD2 2.67Å; R488-D490 PolarHBondContact NH2-OD2 2.86Å; R488-L514 CarbonylContact C-O 3.59Å; R488-L514 WeakPolarHBondContact CA-O 3.43Å; R488-L514 HydrophobicContact CB-CB 4.12Å; R488-L514 HydrophobicContact CG-CB 4.17Å
489	M	93.4	Very high	91.2	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	124.6	169.8	-179	-174.5	68.4	0	0	110.9	T493 R498 L501 F513 L514 L515 S516 V524	M489-T493 HydrophobicContact CG-CG2 4.25Å; M489-R498 HydrophobicContact CG-CG 4.12Å; M489-R498 HydrophobicContact SD-CB 3.76Å; M489-R498 HydrophobicContact SD-CG 3.63Å; M489-L501 HydrophobicContact CB-CD1 4.36Å; M489-F513 HydrophobicContact CB-CE1 3.6Å; M489-F513 HydrophobicContact CB-CZ 4.02Å; M489-L514 PolarHBondContact N-O 3.48Å; M489-L515 HydrophobicContact CB-CD2 3.94Å; M489-L515 HydrophobicContact CE-CD2 3.39Å; M489-L515 WeakPolarHBondContact O-CA 3.33Å; M489-S516 PolarHBondContact O-N 3.28Å; M489-V524 HydrophobicContact CE-CG1 4.2Å
490	D	93.1	Very high	90.9	Very high	4 Å²	4	70.5 Å²	70.5	2%	0.021	39%	0.385	C	S	.	.			trans	-139.1	-170.3	176	66.3	39.7	0	0	0	112	T469 L472 R488 S492 T493	T469-D490 HydrophobicContact CG2-CB 4.19Å; L472-D490 HydrophobicContact CD1-CB 4.24Å; R488-D490 IonicContact CZ-OD2 3.81Å; R488-D490 VanDerWaalsContact CZ-OD2 3.25Å; R488-D490 IonicContact NE-OD2 3.23Å; R488-D490 PolarHBondContact NE-OD2 3.08Å; R488-D490 IonicContact NH2-OD2 2.67Å; R488-D490 PolarHBondContact NH2-OD2 2.86Å; D490-S492 PolarHBondContact O-N 2.87Å; D490-S492 WeakPolarHBondContact OD1-CA 3.26Å; D490-S492 WeakPolarHBondContact OD1-CB 3.48Å; D490-S492 PolarHBondContact OD1-N 2.95Å; D490-S492 PolarHBondContact OD1-OG 3.01Å; D490-T493 PolarHBondContact N-OG1 3.07Å; D490-T493 WeakPolarHBondContact O-CB 3.21Å; D490-T493 PolarHBondContact O-N 3.21Å; D490-T493 VanDerWaalsContact O-N 3.15Å; D490-T493 PolarHBondContact O-OG1 2.74Å
491	G	86.8	Confident	90.7	Very high	60 Å²	60	67 Å²	67	62%	0.619	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.4	-178.6	0	0	0	0	0	114.5
492	S	89	Confident	90.5	Very high	99 Å²	99	63 Å²	63	69%	0.692	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.2	177.9	71.2	0	0	0	0	113.4	D490 P494	D490-S492 PolarHBondContact O-N 2.87Å; D490-S492 WeakPolarHBondContact OD1-CA 3.26Å; D490-S492 WeakPolarHBondContact OD1-CB 3.48Å; D490-S492 PolarHBondContact OD1-N 2.95Å; D490-S492 PolarHBondContact OD1-OG 3.01Å; S492-P494 WeakPolarHBondContact O-CD 3.5Å
493	T	88.8	Confident	90.3	Very high	17 Å²	17	63.7 Å²	63.7	10%	0.104	36%	0.359	C	S	.	.	S	Bend	trans	-67.7	120.7	178.5	-50.1	0	0	0	0	110.8	M489 D490 E497 R498 L501	M489-T493 HydrophobicContact CG-CG2 4.25Å; D490-T493 PolarHBondContact N-OG1 3.07Å; D490-T493 WeakPolarHBondContact O-CB 3.21Å; D490-T493 PolarHBondContact O-N 3.21Å; D490-T493 VanDerWaalsContact O-N 3.15Å; D490-T493 PolarHBondContact O-OG1 2.74Å; T493-E497 HydrophobicContact CG2-CB 4.39Å; T493-R498 HydrophobicContact CG2-CG 4Å; T493-R498 PolarHBondContact O-NE 2.79Å; T493-R498 PolarHBondContact O-NH2 3.27Å; T493-L501 HydrophobicContact CG2-CD1 3.77Å
494	P	85.6	Confident	90.2	Very high	66 Å²	66	59.7 Å²	59.7	43%	0.429	34%	0.343	S	S	.	.			trans	-56.3	139.2	177.7	-24.8	34.2	0	0	0	112.3	S492 V496 E497 R498	S492-P494 WeakPolarHBondContact O-CD 3.5Å; P494-V496 PolarHBondContact O-N 3.39Å; P494-V496 VanDerWaalsContact O-N 3.14Å; P494-E497 HydrophobicContact CB-CG 4.36Å; P494-E497 PolarHBondContact O-N 2.93Å; P494-R498 WeakPolarHBondContact O-CG 3.37Å; P494-R498 PolarHBondContact O-N 3.39Å
495	V	78.2	Confident	90.1	Very high	93 Å²	93	58.2 Å²	58.2	56%	0.564	34%	0.337	S	S	*	.	H	α-helix	trans	-56.4	-35.3	-175.9	177.4	0	0	0	0	112.5	E497 R498	V495-E497 VanDerWaalsContact C-N 3.3Å; V495-E497 PolarHBondContact O-N 3.24Å; V495-R498 PolarHBondContact O-N 3.36Å
496	V	82.1	Confident	89.8	Confident	136 Å²	136	57.5 Å²	57.5	82%	0.824	33%	0.329	S	S	*	.	H	α-helix	trans	-63.4	-35.5	180	-175.6	0	0	0	0	111.9	P494	P494-V496 PolarHBondContact O-N 3.39Å; P494-V496 VanDerWaalsContact O-N 3.14Å
497	E	86.6	Confident	89.5	Confident	112 Å²	112	58.4 Å²	58.4	52%	0.523	35%	0.354	S	S	.	.	H	α-helix	trans	-81.3	-26.3	-177.8	-65.5	176.7	-169.3	0	0	112.7	T493 P494 V495 K499 G500 L501	T493-E497 HydrophobicContact CG2-CB 4.39Å; P494-E497 HydrophobicContact CB-CG 4.36Å; P494-E497 PolarHBondContact O-N 2.93Å; V495-E497 VanDerWaalsContact C-N 3.3Å; V495-E497 PolarHBondContact O-N 3.24Å; E497-K499 VanDerWaalsContact C-N 3.28Å; E497-K499 PolarHBondContact O-N 2.8Å; E497-G500 PolarHBondContact O-N 3.01Å; E497-G500 VanDerWaalsContact O-N 3.08Å; E497-L501 PolarHBondContact O-N 3.38Å
498	R	86.8	Confident	89.3	Confident	44 Å²	44	58.8 Å²	58.8	17%	0.166	36%	0.358	C	S	.	.	H	α-helix	trans	-56.4	-41.9	-175.2	-64.4	-175.7	-172.8	-168.2	-1.3	112.5	M489 T493 P494 V495 L501 I502	M489-R498 HydrophobicContact CG-CG 4.12Å; M489-R498 HydrophobicContact SD-CB 3.76Å; M489-R498 HydrophobicContact SD-CG 3.63Å; T493-R498 HydrophobicContact CG2-CG 4Å; T493-R498 PolarHBondContact O-NE 2.79Å; T493-R498 PolarHBondContact O-NH2 3.27Å; P494-R498 WeakPolarHBondContact O-CG 3.37Å; P494-R498 PolarHBondContact O-N 3.39Å; V495-R498 PolarHBondContact O-N 3.36Å; R498-L501 PolarHBondContact O-N 3.35Å; R498-I502 VanDerWaalsContact O-CD1 3.31Å; R498-I502 WeakPolarHBondContact O-CD1 3.36Å; R498-I502 VanDerWaalsContact O-CG1 3.23Å; R498-I502 WeakPolarHBondContact O-CG1 3.29Å; R498-I502 PolarHBondContact O-N 2.91Å; R498-I502 VanDerWaalsContact O-N 3.09Å
499	K	84.2	Confident	89.2	Confident	130 Å²	130	64.3 Å²	64.3	57%	0.565	39%	0.391	S	S	*	.	H	α-helix	trans	-62	-46.8	178.4	-173.3	176.5	178.6	-179.2	0	110.9	E497 L501 I502 D503	E497-K499 VanDerWaalsContact C-N 3.28Å; E497-K499 PolarHBondContact O-N 2.8Å; K499-L501 VanDerWaalsContact C-N 3.32Å; K499-L501 PolarHBondContact O-N 2.95Å; K499-I502 PolarHBondContact O-N 2.87Å; K499-D503 WeakPolarHBondContact CG-OD2 3.33Å; K499-D503 VanDerWaalsContact O-CG 3.27Å; K499-D503 PolarHBondContact O-N 3.06Å
500	G	89.7	Confident	89.3	Confident	45 Å²	45	64.9 Å²	64.9	46%	0.464	39%	0.394	S	S	.	.	H	α-helix	trans	-60.1	-39.2	177.8	0	0	0	0	0	113.2	E497 H504	E497-G500 PolarHBondContact O-N 3.01Å; E497-G500 VanDerWaalsContact O-N 3.08Å; G500-H504 VanDerWaalsContact O-CB 3.22Å; G500-H504 WeakPolarHBondContact O-CB 3.42Å; G500-H504 PolarHBondContact O-N 3.49Å
501	L	92.3	Very high	89.5	Confident	43 Å²	43	65.4 Å²	65.4	23%	0.225	40%	0.396	C	S	.	.	H	α-helix	trans	-65.4	-41.2	175.7	-67.6	171.4	0	0	0	112.7	M489 T493 E497 R498 K499 F505 F513	M489-L501 HydrophobicContact CB-CD1 4.36Å; T493-L501 HydrophobicContact CG2-CD1 3.77Å; E497-L501 PolarHBondContact O-N 3.38Å; R498-L501 PolarHBondContact O-N 3.35Å; K499-L501 VanDerWaalsContact C-N 3.32Å; K499-L501 PolarHBondContact O-N 2.95Å; L501-F505 WeakPolarHBondContact O-CB 3.43Å; L501-F505 PolarHBondContact O-N 2.88Å; L501-F513 HydrophobicContact CB-CZ 4.28Å
502	I	89.9	Confident	90	Very high	12 Å²	12	62.5 Å²	62.5	6%	0.062	37%	0.367	C	S	.	.	H	α-helix	trans	-65.9	-47.4	177.6	-66.6	159.1	0	0	0	110.5	R498 K499 H504 F505 N506 F513 V524 N525 L526	R498-I502 VanDerWaalsContact O-CD1 3.31Å; R498-I502 WeakPolarHBondContact O-CD1 3.36Å; R498-I502 VanDerWaalsContact O-CG1 3.23Å; R498-I502 WeakPolarHBondContact O-CG1 3.29Å; R498-I502 PolarHBondContact O-N 2.91Å; R498-I502 VanDerWaalsContact O-N 3.09Å; K499-I502 PolarHBondContact O-N 2.87Å; I502-H504 VanDerWaalsContact C-N 3.32Å; I502-H504 PolarHBondContact O-N 3.24Å; I502-F505 PolarHBondContact O-N 2.9Å; I502-N506 WeakPolarHBondContact CG2-ND2 3.31Å; I502-N506 WeakPolarHBondContact O-CB 3.42Å; I502-N506 PolarHBondContact O-N 3.5Å; I502-N506 PolarHBondContact O-ND2 3.39Å; I502-F513 HydrophobicContact CG1-CE2 4.4Å; I502-V524 HydrophobicContact CD1-CB 3.77Å; I502-V524 HydrophobicContact CD1-CG1 3.4Å; I502-V524 VanDerWaalsContact CD1-CG1 3.4Å; I502-V524 HydrophobicContact CG1-CB 4.45Å; I502-V524 HydrophobicContact CG1-CG1 4.38Å; I502-N525 WeakPolarHBondContact CG2-O 3.22Å; I502-L526 HydrophobicContact CG2-CD2 4.29Å
503	D	90.2	Very high	90.4	Very high	89 Å²	89	57.8 Å²	57.8	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-40.4	179.6	-65.4	-17.5	0	0	0	110.5	K499 N506 G507	K499-D503 WeakPolarHBondContact CG-OD2 3.33Å; K499-D503 VanDerWaalsContact O-CG 3.27Å; K499-D503 PolarHBondContact O-N 3.06Å; D503-N506 PolarHBondContact O-N 3.08Å; D503-G507 PolarHBondContact O-N 2.85Å
504	H	93.9	Very high	90.8	Very high	99 Å²	99	57 Å²	57	46%	0.458	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-47.5	173.5	-177.8	62.6	0	0	0	112	G500 I502 N506 G507 S508	G500-H504 VanDerWaalsContact O-CB 3.22Å; G500-H504 WeakPolarHBondContact O-CB 3.42Å; G500-H504 PolarHBondContact O-N 3.49Å; I502-H504 VanDerWaalsContact C-N 3.32Å; I502-H504 PolarHBondContact O-N 3.24Å; H504-N506 PolarHBondContact O-N 2.9Å; H504-G507 PolarHBondContact O-N 2.99Å; H504-S508 WeakPolarHBondContact O-CB 3.38Å; H504-S508 PolarHBondContact O-N 3.05Å; H504-S508 PolarHBondContact O-OG 3.3Å
505	F	94.6	Very high	91.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-41.5	178.6	179.9	-103.3	0	0	0	112.7	K461 L463 V487 L501 I502 V510 F513 L526 S528 A529	K461-F505 HydrophobicContact CB-CZ 4.03Å; K461-F505 HydrophobicContact CD-CE2 4.37Å; K461-F505 HydrophobicContact CD-CZ 4.12Å; K461-F505 HydrophobicContact CG-CZ 4.48Å; K461-F505 PolarHBondContact NZ-O 3.1Å; L463-F505 HydrophobicContact CD2-CE1 3.72Å; L463-F505 HydrophobicContact CD2-CZ 3.84Å; V487-F505 HydrophobicContact CG2-CB 4.16Å; V487-F505 HydrophobicContact CG2-CD2 3.99Å; V487-F505 HydrophobicContact CG2-CG 4.42Å; L501-F505 WeakPolarHBondContact O-CB 3.43Å; L501-F505 PolarHBondContact O-N 2.88Å; I502-F505 PolarHBondContact O-N 2.9Å; F505-V510 HydrophobicContact CD2-CB 4.14Å; F505-V510 HydrophobicContact CD2-CG1 3.88Å; F505-V510 HydrophobicContact CE2-CG1 4.28Å; F505-F513 HydrophobicContact CB-CD2 3.68Å; F505-F513 HydrophobicContact CB-CE2 3.84Å; F505-F513 AromaticContact CD1-CD2 3.64Å; F505-F513 HydrophobicContact CD1-CD2 3.64Å; F505-F513 HydrophobicContact CD1-CE2 4.39Å; F505-F513 HydrophobicContact CD2-CB 3.91Å; F505-F513 AromaticContact CD2-CD2 3.87Å; F505-F513 HydrophobicContact CD2-CD2 3.87Å; F505-F513 HydrophobicContact CD2-CG 4.24Å; F505-F513 HydrophobicContact CE1-CB 4.33Å; F505-F513 HydrophobicContact CE1-CD2 4.18Å; F505-F513 HydrophobicContact CE2-CB 3.73Å; F505-F513 HydrophobicContact CE2-CD2 4.41Å; F505-F513 HydrophobicContact CG-CB 4.29Å; F505-F513 AromaticContact CG-CD2 3.43Å; F505-F513 HydrophobicContact CG-CD2 3.43Å; F505-F513 VanDerWaalsContact CG-CD2 3.43Å; F505-F513 HydrophobicContact CG-CE2 4.12Å; F505-F513 HydrophobicContact CG-CG 4.25Å; F505-F513 HydrophobicContact CZ-CB 3.93Å; F505-L526 HydrophobicContact CD1-CD2 4.06Å; F505-S528 WeakPolarHBondContact CD1-OG 3.41Å; F505-S528 VanDerWaalsContact CE1-OG 3.31Å; F505-S528 WeakPolarHBondContact CE1-OG 3.42Å; F505-A529 HydrophobicContact CE1-CB 3.98Å; F505-A529 HydrophobicContact CZ-CB 4.1Å
506	N	91	Very high	92	Very high	45 Å²	45	50 Å²	50	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-36.9	178.5	-74.5	-36.2	0	0	0	112	I502 D503 H504 N525 S528	I502-N506 WeakPolarHBondContact CG2-ND2 3.31Å; I502-N506 WeakPolarHBondContact O-CB 3.42Å; I502-N506 PolarHBondContact O-N 3.5Å; I502-N506 PolarHBondContact O-ND2 3.39Å; D503-N506 PolarHBondContact O-N 3.08Å; H504-N506 PolarHBondContact O-N 2.9Å; N506-N525 PolarHBondContact ND2-O 2.89Å; N506-S528 WeakPolarHBondContact OD1-CB 3.34Å; N506-S528 PolarHBondContact OD1-OG 3.48Å
507	G	90.8	Very high	92.3	Very high	73 Å²	73	43.6 Å²	43.6	75%	0.753	25%	0.247	S	C	*	.	H	α-helix	trans	-96.4	-11.5	-175	0	0	0	0	0	117.3	D503 H504	D503-G507 PolarHBondContact O-N 2.85Å; H504-G507 PolarHBondContact O-N 2.99Å
508	S	92.1	Very high	92	Very high	24 Å²	24	47.4 Å²	47.4	17%	0.168	26%	0.256	C	S	.	.	S	Bend	trans	-110	175.2	-176.8	69.1	0	0	0	0	113.3	K461 H504 V510	K461-S508 WeakPolarHBondContact CE-O 3.45Å; K461-S508 PolarHBondContact NZ-O 2.58Å; H504-S508 WeakPolarHBondContact O-CB 3.38Å; H504-S508 PolarHBondContact O-N 3.05Å; H504-S508 PolarHBondContact O-OG 3.3Å; S508-V510 PolarHBondContact O-N 3.48Å; S508-V510 VanDerWaalsContact OG-CG2 3.23Å; S508-V510 WeakPolarHBondContact OG-CG2 3.46Å; S508-V510 PolarHBondContact OG-N 3.11Å
509	D	93.3	Very high	91.7	Very high	159 Å²	159	45.6 Å²	45.6	85%	0.85	25%	0.25	S	S	*	.			trans	-86.2	23	173.9	-60.5	-38	0	0	0	113.5	S485 F511	S485-D509 PolarHBondContact OG-O 3.42Å; D509-F511 PolarHBondContact O-N 2.92Å
510	V	96.1	Very high	90.9	Very high	13 Å²	13	39.4 Å²	39.4	8%	0.079	22%	0.224	C	C	.	.			trans	-61.5	125.7	174.6	172.7	0	0	0	0	109.7	K461 V487 F505 S508	K461-V510 WeakPolarHBondContact CE-O 3.49Å; V487-V510 HydrophobicContact CG1-CG1 4.24Å; V487-V510 HydrophobicContact CG1-CG2 4.41Å; V487-V510 HydrophobicContact CG2-CG1 4.15Å; F505-V510 HydrophobicContact CD2-CB 4.14Å; F505-V510 HydrophobicContact CD2-CG1 3.88Å; F505-V510 HydrophobicContact CE2-CG1 4.28Å; S508-V510 PolarHBondContact O-N 3.48Å; S508-V510 VanDerWaalsContact OG-CG2 3.23Å; S508-V510 WeakPolarHBondContact OG-CG2 3.46Å; S508-V510 PolarHBondContact OG-N 3.11Å
511	F	97.7	Very high	89.7	Confident	14 Å²	14	37.6 Å²	37.6	6%	0.061	21%	0.205	C	C	.	.			trans	-78.8	-42.6	-173.7	176.6	-135.7	0	0	0	112.4	L452 A455 K456 S460 V462 Y484 S485 D509	L452-F511 HydrophobicContact CB-CE1 4.37Å; L452-F511 HydrophobicContact CD2-CE1 4.44Å; L452-F511 HydrophobicContact CD2-CZ 4.42Å; L452-F511 WeakPolarHBondContact O-CZ 3.47Å; A455-F511 HydrophobicContact CB-CE2 4.28Å; A455-F511 HydrophobicContact CB-CZ 4.17Å; K456-F511 HydrophobicContact CB-CE1 4.04Å; K456-F511 HydrophobicContact CB-CE2 3.94Å; K456-F511 HydrophobicContact CB-CZ 3.63Å; K456-F511 HydrophobicContact CD-CD1 4.48Å; K456-F511 HydrophobicContact CD-CE1 4.39Å; K456-F511 HydrophobicContact CG-CE1 4.47Å; K456-F511 HydrophobicContact CG-CE2 4.44Å; K456-F511 HydrophobicContact CG-CZ 4.36Å; S460-F511 VanDerWaalsContact O-CD2 3.27Å; S460-F511 WeakPolarHBondContact O-CD2 3.36Å; S460-F511 WeakPolarHBondContact O-CE2 3.46Å; V462-F511 HydrophobicContact CG2-CE2 3.78Å; V462-F511 HydrophobicContact CG2-CZ 3.95Å; V462-F511 PolarHBondContact N-O 3.32Å; Y484-F511 AromaticContact CD1-CD1 3.83Å; Y484-F511 HydrophobicContact CD1-CD1 3.83Å; Y484-F511 HydrophobicContact CD1-CE1 4.02Å; Y484-F511 HydrophobicContact CE1-CD1 4.44Å; Y484-F511 HydrophobicContact CE1-CE1 4.21Å; Y484-F511 AromaticContact CG-CD1 4Å; Y484-F511 HydrophobicContact CG-CD1 4Å; Y484-F511 HydrophobicContact CG-CE1 4.22Å; S485-F511 PolarHBondContact O-N 3.25Å; S485-F511 PolarHBondContact OG-N 2.91Å; D509-F511 PolarHBondContact O-N 2.92Å
512	I	97.8	Very high	88.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.4	-171.1	-62.1	164.1	0	0	0	112	L452 V462 L464 L479 Y484 S485 Y486 V487 L514	L452-I512 HydrophobicContact CD1-CD1 4.11Å; L452-I512 HydrophobicContact CD2-CD1 4.07Å; V462-I512 HydrophobicContact CB-CG1 4.18Å; V462-I512 CarbonylContact O-C 3.59Å; V462-I512 WeakPolarHBondContact O-CA 3.43Å; L464-I512 HydrophobicContact CB-CG2 4.26Å; L479-I512 HydrophobicContact CD1-CB 4.42Å; L479-I512 HydrophobicContact CD1-CD1 4.11Å; L479-I512 HydrophobicContact CD1-CG2 4.04Å; L479-I512 HydrophobicContact CD2-CD1 3.42Å; L479-I512 VanDerWaalsContact CD2-CD1 3.42Å; L479-I512 HydrophobicContact CG-CD1 4.4Å; Y484-I512 HydrophobicContact CD2-CD1 4.28Å; Y484-I512 HydrophobicContact CG-CD1 4.36Å; S485-I512 PolarHBondContact O-N 3.46Å; S485-I512 VanDerWaalsContact O-N 3.14Å; Y486-I512 CarbonylContact C-O 3.01Å; Y486-I512 WeakPolarHBondContact CA-O 3.41Å; Y486-I512 WeakPolarHBondContact CB-O 3.28Å; V487-I512 PolarHBondContact N-O 2.99Å; I512-L514 HydrophobicContact CG2-CD2 4.06Å; I512-L514 HydrophobicContact CG2-CG 4.45Å
513	F	96.8	Very high	87.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.6	166.2	-154.3	-30.2	0	0	0	110	V462 L463 L464 V487 M489 L501 I502 F505 L515 L526	V462-F513 PolarHBondContact O-N 2.93Å; L463-F513 HydrophobicContact CD2-CB 3.67Å; L463-F513 HydrophobicContact CD2-CD2 4.48Å; L463-F513 HydrophobicContact CD2-CG 4.41Å; L464-F513 PolarHBondContact N-O 3.21Å; V487-F513 HydrophobicContact CG2-CB 4.09Å; V487-F513 HydrophobicContact CG2-CD1 3.61Å; V487-F513 HydrophobicContact CG2-CD2 3.81Å; V487-F513 HydrophobicContact CG2-CE1 3.85Å; V487-F513 HydrophobicContact CG2-CE2 4.05Å; V487-F513 HydrophobicContact CG2-CG 3.57Å; V487-F513 HydrophobicContact CG2-CZ 4.07Å; M489-F513 HydrophobicContact CB-CE1 3.6Å; M489-F513 HydrophobicContact CB-CZ 4.02Å; L501-F513 HydrophobicContact CB-CZ 4.28Å; I502-F513 HydrophobicContact CG1-CE2 4.4Å; F505-F513 HydrophobicContact CB-CD2 3.68Å; F505-F513 HydrophobicContact CB-CE2 3.84Å; F505-F513 AromaticContact CD1-CD2 3.64Å; F505-F513 HydrophobicContact CD1-CD2 3.64Å; F505-F513 HydrophobicContact CD1-CE2 4.39Å; F505-F513 HydrophobicContact CD2-CB 3.91Å; F505-F513 AromaticContact CD2-CD2 3.87Å; F505-F513 HydrophobicContact CD2-CD2 3.87Å; F505-F513 HydrophobicContact CD2-CG 4.24Å; F505-F513 HydrophobicContact CE1-CB 4.33Å; F505-F513 HydrophobicContact CE1-CD2 4.18Å; F505-F513 HydrophobicContact CE2-CB 3.73Å; F505-F513 HydrophobicContact CE2-CD2 4.41Å; F505-F513 HydrophobicContact CG-CB 4.29Å; F505-F513 AromaticContact CG-CD2 3.43Å; F505-F513 HydrophobicContact CG-CD2 3.43Å; F505-F513 VanDerWaalsContact CG-CD2 3.43Å; F505-F513 HydrophobicContact CG-CE2 4.12Å; F505-F513 HydrophobicContact CG-CG 4.25Å; F505-F513 HydrophobicContact CZ-CB 3.93Å; F513-L515 HydrophobicContact CD1-CD1 4.27Å; F513-L515 HydrophobicContact CD1-CD2 3.61Å; F513-L515 HydrophobicContact CD1-CG 3.65Å; F513-L515 HydrophobicContact CE1-CD2 3.47Å; F513-L515 VanDerWaalsContact CE1-CD2 3.47Å; F513-L515 HydrophobicContact CE1-CG 4.07Å; F513-L515 HydrophobicContact CG-CD1 4.25Å; F513-L515 HydrophobicContact CG-CD2 4.3Å; F513-L515 HydrophobicContact CG-CG 4.12Å; F513-L515 HydrophobicContact CZ-CD2 4.03Å; F513-L526 HydrophobicContact CD2-CD2 3.74Å; F513-L526 HydrophobicContact CE2-CD2 3.73Å
514	L	97.3	Very high	86.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.1	170.5	-63.9	-176.9	0	0	0	110.7	L464 L472 L475 E476 L479 Y486 V487 R488 M489 I512	L464-L514 HydrophobicContact CB-CD2 4.03Å; L464-L514 HydrophobicContact CD1-CD2 4.18Å; L464-L514 HydrophobicContact CD2-CD2 4.22Å; L464-L514 HydrophobicContact CG-CD2 4.37Å; L472-L514 HydrophobicContact CD2-CB 4.33Å; L475-L514 HydrophobicContact CB-CD2 4.32Å; L475-L514 HydrophobicContact CD1-CD2 4.34Å; E476-L514 HydrophobicContact CG-CD1 3.64Å; L479-L514 HydrophobicContact CD1-CD1 4.07Å; L479-L514 HydrophobicContact CD1-CD2 3.97Å; L479-L514 HydrophobicContact CD1-CG 4.13Å; Y486-L514 HydrophobicContact CD2-CD1 4.04Å; Y486-L514 HydrophobicContact CD2-CG 4.48Å; Y486-L514 HydrophobicContact CE2-CD1 4.35Å; V487-L514 PolarHBondContact O-N 3.11Å; R488-L514 CarbonylContact C-O 3.59Å; R488-L514 WeakPolarHBondContact CA-O 3.43Å; R488-L514 HydrophobicContact CB-CB 4.12Å; R488-L514 HydrophobicContact CG-CB 4.17Å; M489-L514 PolarHBondContact N-O 3.48Å; I512-L514 HydrophobicContact CG2-CD2 4.06Å; I512-L514 HydrophobicContact CG2-CG 4.45Å
515	L	95.4	Very high	86.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.9	-176.2	-68.9	167.1	0	0	0	110.5	L463 L464 F465 S466 M489 F513 L526	L463-L515 HydrophobicContact CD2-CD1 4.24Å; L464-L515 PolarHBondContact O-N 2.73Å; F465-L515 VanDerWaalsContact CA-O 3.26Å; F465-L515 WeakPolarHBondContact CA-O 3.49Å; F465-L515 HydrophobicContact CD1-CB 3.45Å; F465-L515 VanDerWaalsContact CD1-CB 3.45Å; F465-L515 HydrophobicContact CD1-CD1 4.25Å; F465-L515 HydrophobicContact CD1-CG 4.48Å; F465-L515 HydrophobicContact CE1-CB 3.43Å; F465-L515 VanDerWaalsContact CE1-CB 3.43Å; F465-L515 HydrophobicContact CE1-CD1 3.43Å; F465-L515 VanDerWaalsContact CE1-CD1 3.43Å; F465-L515 HydrophobicContact CE1-CG 4.03Å; F465-L515 HydrophobicContact CE2-CD1 4.43Å; F465-L515 HydrophobicContact CG-CB 4.36Å; F465-L515 HydrophobicContact CZ-CB 4.32Å; F465-L515 HydrophobicContact CZ-CD1 3.54Å; S466-L515 PolarHBondContact N-O 2.91Å; M489-L515 HydrophobicContact CB-CD2 3.94Å; M489-L515 HydrophobicContact CE-CD2 3.39Å; M489-L515 WeakPolarHBondContact O-CA 3.33Å; F513-L515 HydrophobicContact CD1-CD1 4.27Å; F513-L515 HydrophobicContact CD1-CD2 3.61Å; F513-L515 HydrophobicContact CD1-CG 3.65Å; F513-L515 HydrophobicContact CE1-CD2 3.47Å; F513-L515 VanDerWaalsContact CE1-CD2 3.47Å; F513-L515 HydrophobicContact CE1-CG 4.07Å; F513-L515 HydrophobicContact CG-CD1 4.25Å; F513-L515 HydrophobicContact CG-CD2 4.3Å; F513-L515 HydrophobicContact CG-CG 4.12Å; F513-L515 HydrophobicContact CZ-CD2 4.03Å; L515-L526 HydrophobicContact CD1-CD1 3.59Å
516	S	93.8	Very high	85.8	Confident	11 Å²	11	33.4 Å²	33.4	8%	0.077	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.8	158.3	72.4	0	0	0	0	108.7	S466 M489 R518 A519 G520	S466-S516 VanDerWaalsContact O-CA 3.31Å; S466-S516 WeakPolarHBondContact O-CA 3.42Å; M489-S516 PolarHBondContact O-N 3.28Å; S516-R518 PolarHBondContact O-N 3.19Å; S516-R518 VanDerWaalsContact O-N 3.11Å; S516-A519 PolarHBondContact O-N 2.95Å; S516-A519 WeakPolarHBondContact OG-CB 3.5Å; S516-A519 PolarHBondContact OG-N 3.47Å; S516-G520 PolarHBondContact O-N 3.38Å
517	T	87.9	Confident	85.6	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-52.9	-39.7	-176.9	-50.8	0	0	0	0	112	S466 Q467 G521 A547	S466-T517 PolarHBondContact O-N 2.94Å; S466-T517 VanDerWaalsContact O-N 3.14Å; Q467-T517 PolarHBondContact NE2-OG1 3.27Å; T517-G521 PolarHBondContact O-N 3.15Å; T517-A547 HydrophobicContact CG2-CB 4.1Å
518	R	81.4	Confident	85.6	Confident	193 Å²	193	30.9 Å²	30.9	73%	0.728	17%	0.169	S	C	*	.	H	α-helix	trans	-68.8	-38.7	177.3	-65.1	-175	-177.6	-178.7	1.1	114	S516 L522	S516-R518 PolarHBondContact O-N 3.19Å; S516-R518 VanDerWaalsContact O-N 3.11Å; R518-L522 VanDerWaalsContact O-CG 3.29Å; R518-L522 WeakPolarHBondContact O-CG 3.36Å
519	A	79	Confident	85.8	Confident	5 Å²	5	29.7 Å²	29.7	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-75.5	-35.6	177.6	0	0	0	0	0	111.9	S516 L522	S516-A519 PolarHBondContact O-N 2.95Å; S516-A519 WeakPolarHBondContact OG-CB 3.5Å; S516-A519 PolarHBondContact OG-N 3.47Å; A519-L522 PolarHBondContact O-N 3.37Å
520	G	68.2	Low	85.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-73	-29.6	177	0	0	0	0	0	113.6	S516 L522 V524 R550	S516-G520 PolarHBondContact O-N 3.38Å; G520-L522 PolarHBondContact O-N 3.1Å; G520-L522 VanDerWaalsContact O-N 3.12Å; G520-V524 WeakPolarHBondContact O-CG2 3.48Å; G520-R550 WeakPolarHBondContact O-CG 3.4Å
521	G	64.8	Low	85.9	Confident	7 Å²	7	22.3 Å²	22.3	7%	0.072	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.7	174.1	0	0	0	0	0	114.8	T517 G523	T517-G521 PolarHBondContact O-N 3.15Å; G521-G523 PolarHBondContact O-N 3.47Å
522	L	65	Low	85.9	Confident	64 Å²	64	21.6 Å²	21.6	34%	0.335	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	67.8	-173.9	-53.9	-179.6	0	0	0	113	H173 R518 A519 G520 V524	H173-L522 WeakPolarHBondContact NE2-CD2 3.32Å; R518-L522 VanDerWaalsContact O-CG 3.29Å; R518-L522 WeakPolarHBondContact O-CG 3.36Å; A519-L522 PolarHBondContact O-N 3.37Å; G520-L522 PolarHBondContact O-N 3.1Å; G520-L522 VanDerWaalsContact O-N 3.12Å; L522-V524 WeakPolarHBondContact O-CG1 3.45Å; L522-V524 PolarHBondContact O-N 3.08Å
523	G	64.1	Low	85.9	Confident	39 Å²	39	21.6 Å²	21.6	40%	0.402	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	12.1	161.7	0	0	0	0	0	117.2	G521	G521-G523 PolarHBondContact O-N 3.47Å
524	V	76.9	Confident	85.9	Confident	10 Å²	10	21.6 Å²	21.6	6%	0.061	12%	0.118	C	C	.	.			trans	-76.8	155.7	-176.3	-58.5	0	0	0	0	112.7	M489 I502 G520 L522 L526 R550 R553	M489-V524 HydrophobicContact CE-CG1 4.2Å; I502-V524 HydrophobicContact CD1-CB 3.77Å; I502-V524 HydrophobicContact CD1-CG1 3.4Å; I502-V524 VanDerWaalsContact CD1-CG1 3.4Å; I502-V524 HydrophobicContact CG1-CB 4.45Å; I502-V524 HydrophobicContact CG1-CG1 4.38Å; G520-V524 WeakPolarHBondContact O-CG2 3.48Å; L522-V524 WeakPolarHBondContact O-CG1 3.45Å; L522-V524 PolarHBondContact O-N 3.08Å; V524-L526 HydrophobicContact CG2-CD1 3.67Å; V524-L526 HydrophobicContact CG2-CG 3.91Å; V524-R550 HydrophobicContact CG2-CB 4.2Å; V524-R550 HydrophobicContact CG2-CG 4Å; V524-R550 WeakPolarHBondContact O-CD 3.31Å; V524-R553 PolarHBondContact O-NH1 2.91Å
525	N	83.4	Confident	85.9	Confident	42 Å²	42	21.7 Å²	21.7	23%	0.225	12%	0.118	C	C	.	.			trans	-108.6	111.7	175.8	-172.4	26.6	0	0	0	110	I502 N506 T527 R553	I502-N525 WeakPolarHBondContact CG2-O 3.22Å; N506-N525 PolarHBondContact ND2-O 2.89Å; N525-T527 VanDerWaalsContact OD1-CG2 3.27Å; N525-T527 WeakPolarHBondContact OD1-CG2 3.42Å; N525-R553 WeakPolarHBondContact OD1-CD 3.46Å
526	L	88.1	Confident	85.9	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.			trans	-127.6	39	-174.3	-63.5	171.5	0	0	0	111.3	L463 I502 F505 F513 L515 V524 S528 A529 R550	L463-L526 HydrophobicContact CD1-CB 3.9Å; L463-L526 HydrophobicContact CD1-CD1 3.83Å; L463-L526 HydrophobicContact CD2-CB 4.3Å; L463-L526 HydrophobicContact CD2-CD1 4.02Å; I502-L526 HydrophobicContact CG2-CD2 4.29Å; F505-L526 HydrophobicContact CD1-CD2 4.06Å; F513-L526 HydrophobicContact CD2-CD2 3.74Å; F513-L526 HydrophobicContact CE2-CD2 3.73Å; L515-L526 HydrophobicContact CD1-CD1 3.59Å; V524-L526 HydrophobicContact CG2-CD1 3.67Å; V524-L526 HydrophobicContact CG2-CG 3.91Å; L526-S528 PolarHBondContact O-N 3.48Å; L526-A529 PolarHBondContact O-N 3.39Å; L526-R550 HydrophobicContact CD1-CB 4.43Å; L526-R550 PolarHBondContact N-O 3.22Å; L526-R550 VanDerWaalsContact N-O 3.16Å
527	T	87	Confident	86	Confident	29 Å²	29	21.5 Å²	21.5	18%	0.178	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12	-177.7	49.5	0	0	0	0	113.9	N525 A529 R553 Q556	N525-T527 VanDerWaalsContact OD1-CG2 3.27Å; N525-T527 WeakPolarHBondContact OD1-CG2 3.42Å; T527-A529 VanDerWaalsContact C-N 3.26Å; T527-A529 PolarHBondContact O-N 3.17Å; T527-R553 HydrophobicContact CG2-CG 3.61Å; T527-Q556 PolarHBondContact O-NE2 3.2Å
528	S	92.2	Very high	86.1	Confident	36 Å²	36	22.2 Å²	22.2	25%	0.252	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.6	174.7	71	0	0	0	0	113.4	F505 N506 L526	F505-S528 WeakPolarHBondContact CD1-OG 3.41Å; F505-S528 VanDerWaalsContact CE1-OG 3.31Å; F505-S528 WeakPolarHBondContact CE1-OG 3.42Å; N506-S528 WeakPolarHBondContact OD1-CB 3.34Å; N506-S528 PolarHBondContact OD1-OG 3.48Å; L526-S528 PolarHBondContact O-N 3.48Å
529	A	95.1	Very high	86.4	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.			trans	-86.5	155.9	174.4	0	0	0	0	0	111.2	K461 L463 F505 L526 T527 C551 Q556	K461-A529 HydrophobicContact CB-CB 4.23Å; K461-A529 WeakPolarHBondContact O-CB 3.48Å; L463-A529 HydrophobicContact CD1-CB 4.09Å; L463-A529 HydrophobicContact CD2-CB 3.72Å; L463-A529 HydrophobicContact CG-CB 3.54Å; F505-A529 HydrophobicContact CE1-CB 3.98Å; F505-A529 HydrophobicContact CZ-CB 4.1Å; L526-A529 PolarHBondContact O-N 3.39Å; T527-A529 VanDerWaalsContact C-N 3.26Å; T527-A529 PolarHBondContact O-N 3.17Å; A529-C551 PolarHBondContact O-SG 3.22Å; A529-Q556 PolarHBondContact O-NE2 2.91Å
530	N	95.5	Very high	86.7	Confident	9 Å²	9	19 Å²	19	5%	0.048	11%	0.108	C	C	.	.			trans	-137.9	-8.6	176.5	65.3	-55.3	0	0	0	112.5	S460 K461 K558 V560 Y561	S460-N530 VanDerWaalsContact CA-OD1 3.25Å; S460-N530 WeakPolarHBondContact CA-OD1 3.38Å; S460-N530 WeakPolarHBondContact CB-OD1 3.34Å; S460-N530 PolarHBondContact OG-ND2 3.33Å; S460-N530 PolarHBondContact OG-OD1 2.86Å; K461-N530 PolarHBondContact N-OD1 3.14Å; K461-N530 PolarHBondContact O-N 3.24Å; K461-N530 VanDerWaalsContact O-N 3.12Å; K461-N530 PolarHBondContact O-OD1 3.01Å; N530-K558 HydrophobicContact CB-CB 3.95Å; N530-K558 HydrophobicContact CB-CD 4.21Å; N530-V560 WeakPolarHBondContact O-CA 3.48Å; N530-Y561 PolarHBondContact O-N 3.44Å
531	V	97.3	Very high	87.7	Confident	7 Å²	7	19.3 Å²	19.3	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.7	173.5	178.1	0	0	0	0	109.1	A455 K461 V462 L463 I533 Y561 I563	A455-V531 HydrophobicContact CB-CG2 4.49Å; K461-V531 PolarHBondContact O-N 3.1Å; V462-V531 CarbonylContact C-O 3.56Å; V462-V531 VanDerWaalsContact CA-O 3.32Å; V462-V531 WeakPolarHBondContact CA-O 3.37Å; V462-V531 HydrophobicContact CG1-CG1 4.41Å; V462-V531 HydrophobicContact CG2-CB 4.1Å; V462-V531 HydrophobicContact CG2-CG1 4.23Å; L463-V531 PolarHBondContact N-O 3.05Å; V531-I533 HydrophobicContact CG1-CG1 4.19Å; V531-Y561 CarbonylContact C-O 3.54Å; V531-Y561 WeakPolarHBondContact CA-O 3.39Å; V531-I563 HydrophobicContact CG1-CD1 4.22Å
532	I	96.8	Very high	88.6	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.3	178	-55	-178.7	0	0	0	107.8	L463 F465 L534 E548 C551 V560 Y561 V562 I563	L463-I532 CarbonylContact O-C 3.58Å; L463-I532 WeakPolarHBondContact O-CA 3.25Å; F465-I532 HydrophobicContact CD2-CG2 3.75Å; F465-I532 HydrophobicContact CE2-CG2 3.74Å; I532-L534 HydrophobicContact CG2-CD2 4.14Å; I532-E548 HydrophobicContact CD1-CB 4.2Å; I532-E548 HydrophobicContact CD1-CG 4.47Å; I532-C551 HydrophobicContact CD1-CB 3.67Å; I532-C551 HydrophobicContact CG1-CB 4.27Å; I532-V560 HydrophobicContact CD1-CG1 3.87Å; I532-V560 HydrophobicContact CG1-CG1 4.21Å; I532-Y561 PolarHBondContact N-O 3.32Å; I532-V562 HydrophobicContact CB-CG2 4.33Å; I532-V562 HydrophobicContact CD1-CG2 4.3Å; I532-V562 CarbonylContact O-C 3.59Å; I532-V562 WeakPolarHBondContact O-CA 3.43Å; I532-I563 PolarHBondContact O-N 3.23Å
533	I	97.8	Very high	89.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.2	175.7	-55.5	176.9	0	0	0	108.2	L448 I451 L452 V462 L463 L464 F465 V531 I563 L565	L448-I533 HydrophobicContact CD2-CD1 3.89Å; L448-I533 HydrophobicContact CD2-CG2 3.96Å; I451-I533 HydrophobicContact CG2-CD1 3.72Å; I451-I533 HydrophobicContact CG2-CG1 4.48Å; L452-I533 HydrophobicContact CD2-CD1 3.84Å; V462-I533 HydrophobicContact CG1-CD1 3.68Å; V462-I533 HydrophobicContact CG1-CG1 3.92Å; L463-I533 PolarHBondContact O-N 2.64Å; L464-I533 WeakPolarHBondContact CA-O 3.41Å; L464-I533 HydrophobicContact CG-CB 4.35Å; F465-I533 PolarHBondContact N-O 3.09Å; V531-I533 HydrophobicContact CG1-CG1 4.19Å; I533-I563 CarbonylContact C-O 3.6Å; I533-I563 WeakPolarHBondContact CA-O 3.44Å; I533-I563 HydrophobicContact CG1-CB 4.48Å; I533-L565 HydrophobicContact CG2-CD1 4.12Å; I533-L565 HydrophobicContact CG2-CD2 4.33Å; I533-L565 HydrophobicContact CG2-CG 4.01Å
534	L	97.1	Very high	90.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	101.8	167.5	-54.4	-171.6	0	0	0	107.6	F465 I532 D536 D544 I563 K564 L565	F465-L534 HydrophobicContact CB-CD2 3.75Å; F465-L534 HydrophobicContact CD2-CD2 3.8Å; F465-L534 HydrophobicContact CG-CD2 4.09Å; I532-L534 HydrophobicContact CG2-CD2 4.14Å; L534-D536 PolarHBondContact O-N 3.41Å; L534-D544 HydrophobicContact CD1-CB 3.84Å; L534-I563 PolarHBondContact N-O 3.45Å; L534-K564 HydrophobicContact CB-CG 4.35Å; L534-K564 HydrophobicContact CD1-CD 4.11Å; L534-K564 HydrophobicContact CD1-CG 3.98Å; L534-K564 HydrophobicContact CG-CG 4.34Å; L534-L565 PolarHBondContact O-N 3.01Å
535	H	97.4	Very high	91.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.089	C	C	.	.	S	Bend	trans	-63.8	-34.4	176.8	-174	-74.8	0	0	0	110.9	K444 L464 F465	K444-H535 VanDerWaalsContact CD-O 3.26Å; K444-H535 WeakPolarHBondContact CD-O 3.49Å; K444-H535 PolarHBondContact NZ-O 2.67Å; L464-H535 HydrophobicContact CD2-CB 3.99Å; F465-H535 WeakPolarHBondContact O-CB 3.27Å; F465-H535 PolarHBondContact O-N 3.44Å
536	D	95.9	Very high	91.4	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.085	C	C	.	.	S	Bend	trans	-150.4	137.8	173.6	63.2	-70.1	0	0	0	111.1	R374 N378 S466 Q467 F468 L534	R374-D536 IonicContact NH2-OD2 2.73Å; N378-D536 VanDerWaalsContact OD1-CB 3.28Å; N378-D536 WeakPolarHBondContact OD1-CB 3.44Å; S466-D536 WeakPolarHBondContact CA-OD1 3.38Å; S466-D536 VanDerWaalsContact CB-OD1 3.23Å; S466-D536 WeakPolarHBondContact CB-OD1 3.34Å; S466-D536 PolarHBondContact OG-OD1 3.37Å; Q467-D536 WeakPolarHBondContact CB-OD2 3.49Å; Q467-D536 WeakPolarHBondContact CG-OD2 3.43Å; Q467-D536 PolarHBondContact N-OD1 2.98Å; Q467-D536 VanDerWaalsContact N-OD1 3.1Å; Q467-D536 PolarHBondContact N-OD2 3.33Å; F468-D536 WeakPolarHBondContact CD2-OD2 3.38Å; L534-D536 PolarHBondContact O-N 3.41Å
537	I	94.2	Very high	91.4	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.031	9%	0.085	C	C	.	.			trans	-80.3	149.9	-175.7	60	173.1	0	0	0	111.6	R374 K564 I566 M575 L576	R374-I537 PolarHBondContact NH2-O 3.41Å; I537-K564 HydrophobicContact CG2-CB 4.49Å; I537-K564 HydrophobicContact CG2-CD 4.43Å; I537-I566 HydrophobicContact CD1-CD1 4.12Å; I537-I566 HydrophobicContact CG2-CD1 4.12Å; I537-M575 HydrophobicContact CD1-CB 3.89Å; I537-M575 HydrophobicContact CG1-CB 4.41Å; I537-M575 HydrophobicContact CG1-CE 4.41Å; I537-L576 HydrophobicContact CD1-CB 3.92Å; I537-L576 HydrophobicContact CD1-CD1 4.39Å
538	D	91.5	Very high	91.5	Very high	18 Å²	18	16.1 Å²	16.1	10%	0.096	8%	0.077	C	C	.	.			trans	-76.3	154	168.1	-158.2	-49.6	0	0	0	109.9	Q467 N540 N543 D544	Q467-D538 PolarHBondContact OE1-OD2 2.86Å; D538-N540 PolarHBondContact O-N 2.9Å; D538-N540 PolarHBondContact OD1-N 3.23Å; D538-N543 HydrophobicContact CB-CB 4.23Å; D538-N543 PolarHBondContact OD2-ND2 3.44Å; D538-D544 WeakPolarHBondContact CB-OD1 3.4Å; D538-D544 PolarHBondContact N-OD1 3.42Å; D538-D544 PolarHBondContact N-OD2 2.92Å
539	Y	86.1	Confident	91.2	Very high	118 Å²	118	14.9 Å²	14.9	46%	0.463	7%	0.067	S	C	.	.	S	Bend	trans	-64.7	-25.5	167	-174.4	-105.5	0	0	0	112.1	K582	Y539-K582 PolarHBondContact O-NZ 3.33Å
540	N	85.2	Confident	90.7	Very high	11 Å²	11	15.5 Å²	15.5	6%	0.059	7%	0.07	C	C	.	.	S	Bend	trans	-104.5	102	173.5	-172.5	11.2	0	0	0	110.8	Q278 D538 H542 N543	Q278-N540 PolarHBondContact OE1-ND2 3.02Å; D538-N540 PolarHBondContact O-N 2.9Å; D538-N540 PolarHBondContact OD1-N 3.23Å; N540-H542 PolarHBondContact O-N 2.8Å; N540-H542 PolarHBondContact OD1-CD2 2.85Å; N540-N543 WeakPolarHBondContact O-CB 3.5Å; N540-N543 PolarHBondContact O-N 3.25Å
541	P	89.2	Confident	90.4	Very high	8 Å²	8	15 Å²	15	5%	0.052	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-19.1	-175.6	23.3	-34.1	0	0	0	114.4	N543 D544 R545 A579 K582 L583	P541-N543 VanDerWaalsContact C-N 3.3Å; P541-N543 PolarHBondContact O-N 2.95Å; P541-D544 PolarHBondContact O-N 2.85Å; P541-R545 PolarHBondContact O-N 2.89Å; P541-A579 HydrophobicContact CB-CB 4.02Å; P541-A579 HydrophobicContact CG-CB 4.04Å; P541-K582 HydrophobicContact CG-CB 4.21Å; P541-L583 HydrophobicContact CB-CD1 3.84Å; P541-L583 HydrophobicContact CB-CD2 3.72Å; P541-L583 HydrophobicContact CB-CG 3.75Å; P541-L583 HydrophobicContact CG-CD1 4.27Å; P541-L583 HydrophobicContact CG-CD2 3.59Å; P541-L583 HydrophobicContact CG-CG 3.63Å
542	H	84.6	Confident	90	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.009	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-31.6	176.6	-64.6	-88.2	0	0	0	112.5	T275 L277 Q278 N540 Q546 E586	T275-H542 HydrophobicContact CG2-CB 4.03Å; T275-H542 WeakPolarHBondContact CG2-ND1 3.36Å; L277-H542 PolarHBondContact O-CE1 3.28Å; L277-H542 PolarHBondContact O-NE2 3.09Å; Q278-H542 HydrophobicContact CG-CB 4.15Å; Q278-H542 PolarHBondContact O-NE2 3.05Å; N540-H542 PolarHBondContact O-N 2.8Å; N540-H542 PolarHBondContact OD1-CD2 2.85Å; H542-Q546 VanDerWaalsContact O-CB 3.29Å; H542-Q546 WeakPolarHBondContact O-CB 3.43Å; H542-Q546 PolarHBondContact O-N 2.94Å; H542-E586 VanDerWaalsContact CE1-CD 3.44Å; H542-E586 IonicContact CE1-OE1 3.3Å; H542-E586 IonicContact CE1-OE2 2.76Å; H542-E586 PolarHBondContact CE1-OE2 3Å; H542-E586 IonicContact ND1-OE2 3.25Å
543	N	86	Confident	89.3	Confident	37 Å²	37	15.9 Å²	15.9	20%	0.198	7%	0.071	C	C	.	.	H	α-helix	trans	-66.6	-41.9	174.6	-65.1	-10.3	0	0	0	110.5	D538 N540 P541 Q546 A547	D538-N543 HydrophobicContact CB-CB 4.23Å; D538-N543 PolarHBondContact OD2-ND2 3.44Å; N540-N543 WeakPolarHBondContact O-CB 3.5Å; N540-N543 PolarHBondContact O-N 3.25Å; P541-N543 VanDerWaalsContact C-N 3.3Å; P541-N543 PolarHBondContact O-N 2.95Å; N543-Q546 PolarHBondContact O-N 3.16Å; N543-A547 PolarHBondContact O-N 3.14Å; N543-A547 VanDerWaalsContact O-N 3.1Å
544	D	90.9	Very high	88.2	Confident	4 Å²	4	18 Å²	18	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-66.1	-46.4	177.4	-64.9	-22.5	0	0	0	110.8	Q467 L534 D538 P541 Q546 A547 E548	Q467-D544 PolarHBondContact NE2-OD1 3.27Å; L534-D544 HydrophobicContact CD1-CB 3.84Å; D538-D544 WeakPolarHBondContact CB-OD1 3.4Å; D538-D544 PolarHBondContact N-OD1 3.42Å; D538-D544 PolarHBondContact N-OD2 2.92Å; P541-D544 PolarHBondContact O-N 2.85Å; D544-Q546 VanDerWaalsContact C-N 3.33Å; D544-Q546 PolarHBondContact O-N 2.85Å; D544-A547 WeakPolarHBondContact O-CB 3.32Å; D544-A547 PolarHBondContact O-N 3.2Å; D544-A547 VanDerWaalsContact O-N 3.09Å; D544-E548 WeakPolarHBondContact O-CG 3.28Å; D544-E548 PolarHBondContact O-N 3.36Å
545	R	87.4	Confident	87.6	Confident	49 Å²	49	20.5 Å²	20.5	19%	0.185	11%	0.109	C	C	.	.	H	α-helix	trans	-58.2	-42.8	173.7	-76.8	-173.1	178.1	167.1	1.6	112.6	P541 A547 E548 D549 E586	P541-R545 PolarHBondContact O-N 2.89Å; R545-A547 PolarHBondContact O-N 3.28Å; R545-E548 WeakPolarHBondContact O-CB 3.47Å; R545-E548 PolarHBondContact O-N 3.1Å; R545-D549 WeakPolarHBondContact O-CB 3.37Å; R545-D549 PolarHBondContact O-N 2.79Å; R545-E586 IonicContact NH1-OE2 2.93Å; R545-E586 PolarHBondContact NH1-OE2 3.35Å
546	Q	83.9	Confident	87.1	Confident	31 Å²	31	21 Å²	21	15%	0.145	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-32.9	177.5	178.5	171.8	60.5	0	0	112.2	M149 E246 H542 N543 D544 R550	M149-Q546 HydrophobicContact CE-CG 4.35Å; M149-Q546 HydrophobicContact SD-CB 4.24Å; M149-Q546 HydrophobicContact SD-CG 3.64Å; M149-Q546 PolarHBondContact SD-NE2 3.46Å; E246-Q546 PolarHBondContact OE1-NE2 3.26Å; E246-Q546 PolarHBondContact OE2-NE2 2.74Å; H542-Q546 VanDerWaalsContact O-CB 3.29Å; H542-Q546 WeakPolarHBondContact O-CB 3.43Å; H542-Q546 PolarHBondContact O-N 2.94Å; N543-Q546 PolarHBondContact O-N 3.16Å; D544-Q546 VanDerWaalsContact C-N 3.33Å; D544-Q546 PolarHBondContact O-N 2.85Å; Q546-R550 PolarHBondContact O-NE 3.08Å
547	A	87.2	Confident	86.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73	-43.1	173.2	0	0	0	0	0	111.9	F465 T517 N543 D544 R545 D549 R550	F465-A547 HydrophobicContact CD1-CB 4.22Å; F465-A547 HydrophobicContact CE1-CB 3.87Å; F465-A547 HydrophobicContact CE2-CB 4.32Å; F465-A547 HydrophobicContact CZ-CB 3.93Å; T517-A547 HydrophobicContact CG2-CB 4.1Å; N543-A547 PolarHBondContact O-N 3.14Å; N543-A547 VanDerWaalsContact O-N 3.1Å; D544-A547 WeakPolarHBondContact O-CB 3.32Å; D544-A547 PolarHBondContact O-N 3.2Å; D544-A547 VanDerWaalsContact O-N 3.09Å; R545-A547 PolarHBondContact O-N 3.28Å; A547-D549 VanDerWaalsContact C-N 3.29Å; A547-D549 PolarHBondContact O-N 2.77Å; A547-R550 WeakPolarHBondContact O-CB 3.35Å; A547-R550 WeakPolarHBondContact O-CG 3.19Å; A547-R550 PolarHBondContact O-N 2.91Å
548	E	90.9	Very high	86.6	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-56.4	-44.1	173.8	-67.5	167.8	-160.5	0	0	111.6	K337 I532 D544 R545 R550 C551 H552 V562 K564	K337-E548 IonicContact NZ-OE2 3.73Å; K337-E548 PolarHBondContact NZ-OE2 2.8Å; I532-E548 HydrophobicContact CD1-CB 4.2Å; I532-E548 HydrophobicContact CD1-CG 4.47Å; D544-E548 WeakPolarHBondContact O-CG 3.28Å; D544-E548 PolarHBondContact O-N 3.36Å; R545-E548 WeakPolarHBondContact O-CB 3.47Å; R545-E548 PolarHBondContact O-N 3.1Å; E548-R550 PolarHBondContact O-N 2.79Å; E548-R550 VanDerWaalsContact O-N 3.08Å; E548-C551 PolarHBondContact O-N 3.34Å; E548-C551 VanDerWaalsContact O-N 3.07Å; E548-H552 PolarHBondContact O-N 2.97Å; E548-H552 VanDerWaalsContact O-N 3.11Å; E548-V562 HydrophobicContact CG-CG1 4.06Å; E548-V562 HydrophobicContact CG-CG2 4.06Å; E548-K564 WeakPolarHBondContact OE1-CE 3.08Å; E548-K564 IonicContact OE1-NZ 3.07Å; E548-K564 PolarHBondContact OE1-NZ 3.19Å
549	D	86	Confident	86.8	Confident	10 Å²	10	33.6 Å²	33.6	5%	0.053	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.7	-179.1	-71.4	-20.2	0	0	0	114.1	K327 R545 A547 C551	K327-D549 IonicContact NZ-OD1 2.64Å; K327-D549 PolarHBondContact NZ-OD1 3.17Å; K327-D549 IonicContact NZ-OD2 3.16Å; R545-D549 WeakPolarHBondContact O-CB 3.37Å; R545-D549 PolarHBondContact O-N 2.79Å; A547-D549 VanDerWaalsContact C-N 3.29Å; A547-D549 PolarHBondContact O-N 2.77Å; D549-C551 VanDerWaalsContact C-N 3.26Å
550	R	83.7	Confident	87.2	Confident	12 Å²	12	28 Å²	28	5%	0.045	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.2	172.8	-57.9	-58.9	113.3	-167	5.4	112.6	M149 G520 V524 L526 Q546 A547 E548 R553	M149-R550 PolarHBondContact SD-NH2 3.3Å; G520-R550 WeakPolarHBondContact O-CG 3.4Å; V524-R550 HydrophobicContact CG2-CB 4.2Å; V524-R550 HydrophobicContact CG2-CG 4Å; V524-R550 WeakPolarHBondContact O-CD 3.31Å; L526-R550 HydrophobicContact CD1-CB 4.43Å; L526-R550 PolarHBondContact N-O 3.22Å; L526-R550 VanDerWaalsContact N-O 3.16Å; Q546-R550 PolarHBondContact O-NE 3.08Å; A547-R550 WeakPolarHBondContact O-CB 3.35Å; A547-R550 WeakPolarHBondContact O-CG 3.19Å; A547-R550 PolarHBondContact O-N 2.91Å; E548-R550 PolarHBondContact O-N 2.79Å; E548-R550 VanDerWaalsContact O-N 3.08Å; R550-R553 VanDerWaalsContact O-CD 3.25Å; R550-R553 WeakPolarHBondContact O-CD 3.18Å
551	C	88.7	Confident	87.8	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-44.7	177.7	169.7	0	0	0	0	110.9	L463 A529 I532 E548 D549 R553 Q556	L463-C551 HydrophobicContact CD1-CB 3.8Å; A529-C551 PolarHBondContact O-SG 3.22Å; I532-C551 HydrophobicContact CD1-CB 3.67Å; I532-C551 HydrophobicContact CG1-CB 4.27Å; E548-C551 PolarHBondContact O-N 3.34Å; E548-C551 VanDerWaalsContact O-N 3.07Å; D549-C551 VanDerWaalsContact C-N 3.26Å; C551-R553 PolarHBondContact O-N 3.07Å; C551-R553 VanDerWaalsContact O-N 3.13Å; C551-Q556 PolarHBondContact O-NE2 3.41Å
552	H	88.5	Confident	88.1	Confident	17 Å²	17	31.7 Å²	31.7	8%	0.079	17%	0.169	C	C	.	.	S	Bend	trans	-86.1	78.3	176.9	-168.4	-104.3	0	0	0	111.5	K327 P335 K337 E548 V560	K327-H552 PolarHBondContact NZ-O 3.21Å; P335-H552 PolarHBondContact O-NE2 2.78Å; K337-H552 HydrophobicContact CD-CB 4.33Å; E548-H552 PolarHBondContact O-N 2.97Å; E548-H552 VanDerWaalsContact O-N 3.11Å; H552-V560 HydrophobicContact CB-CB 4.43Å; H552-V560 HydrophobicContact CB-CG1 4.4Å; H552-V560 HydrophobicContact CB-CG2 4.17Å
553	R	82.6	Confident	88.8	Confident	8 Å²	8	31.8 Å²	31.8	3%	0.03	17%	0.17	C	C	.	.	S	Bend	trans	-147.4	173.9	-179.1	64.2	-173.2	-71	177.9	-6.6	111.3	R151 L334 V524 N525 T527 R550 C551 G555 Q556	R151-R553 PolarHBondContact O-NH2 2.97Å; L334-R553 WeakPolarHBondContact CD2-O 3.31Å; V524-R553 PolarHBondContact O-NH1 2.91Å; N525-R553 WeakPolarHBondContact OD1-CD 3.46Å; T527-R553 HydrophobicContact CG2-CG 3.61Å; R550-R553 VanDerWaalsContact O-CD 3.25Å; R550-R553 WeakPolarHBondContact O-CD 3.18Å; C551-R553 PolarHBondContact O-N 3.07Å; C551-R553 VanDerWaalsContact O-N 3.13Å; R553-G555 PolarHBondContact O-N 2.77Å; R553-Q556 VanDerWaalsContact O-CB 3.27Å; R553-Q556 WeakPolarHBondContact O-CB 3.48Å; R553-Q556 PolarHBondContact O-N 2.86Å
554	V	76.2	Confident	89.3	Confident	44 Å²	44	30.9 Å²	30.9	27%	0.267	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	127	174.8	-178.8	0	0	0	0	109.9	A150 D152 L331	A150-V554 HydrophobicContact CB-CG2 4.35Å; D152-V554 VanDerWaalsContact OD1-CB 3.26Å; D152-V554 WeakPolarHBondContact OD1-CB 3.42Å; D152-V554 WeakPolarHBondContact OD1-CG1 3.21Å; L331-V554 HydrophobicContact CD1-CG2 3.75Å; L331-V554 HydrophobicContact CD2-CG2 3.94Å
555	G	82.4	Confident	89.6	Confident	52 Å²	52	30.7 Å²	30.7	54%	0.536	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-10.7	-173.4	0	0	0	0	0	114.5	R553	R553-G555 PolarHBondContact O-N 2.77Å
556	Q	87.9	Confident	90.1	Very high	13 Å²	13	28.4 Å²	28.4	6%	0.061	15%	0.154	C	C	.	.			trans	-72.6	133	168	-178	56.7	-96.8	0	0	110.3	P335 T527 A529 C551 R553 K558 V560	P335-Q556 WeakPolarHBondContact CD-O 3.45Å; P335-Q556 HydrophobicContact CG-CG 4.21Å; T527-Q556 PolarHBondContact O-NE2 3.2Å; A529-Q556 PolarHBondContact O-NE2 2.91Å; C551-Q556 PolarHBondContact O-NE2 3.41Å; R553-Q556 VanDerWaalsContact O-CB 3.27Å; R553-Q556 WeakPolarHBondContact O-CB 3.48Å; R553-Q556 PolarHBondContact O-N 2.86Å; Q556-K558 WeakPolarHBondContact CG-O 3.46Å; Q556-K558 PolarHBondContact OE1-O 2.88Å; Q556-V560 HydrophobicContact CG-CG2 3.77Å
557	T	88.6	Confident	90.7	Very high	121 Å²	121	26.9 Å²	26.9	74%	0.742	15%	0.147	S	C	*	.			trans	-116.6	-13.9	-178.6	56.3	0	0	0	0	113.2
558	K	91.9	Very high	91.1	Very high	103 Å²	103	30.4 Å²	30.4	45%	0.448	16%	0.162	S	C	.	.	S	Bend	trans	-111.1	151	179.1	-60.7	-178.6	-179.3	-177.7	0	110.5	P335 N530 Q556	P335-K558 VanDerWaalsContact CB-O 3.31Å; P335-K558 WeakPolarHBondContact CB-O 3.43Å; N530-K558 HydrophobicContact CB-CB 3.95Å; N530-K558 HydrophobicContact CB-CD 4.21Å; Q556-K558 WeakPolarHBondContact CG-O 3.46Å; Q556-K558 PolarHBondContact OE1-O 2.88Å
559	D	93.8	Very high	91.2	Very high	64 Å²	64	36.3 Å²	36.3	34%	0.342	19%	0.194	S	C	.	.			trans	-57.7	141.4	169.7	-64.2	-30.8	0	0	0	110.5	P335 E336 Y561	P335-D559 WeakPolarHBondContact CB-OD1 3.37Å; E336-D559 PolarHBondContact N-OD1 3.26Å; E336-D559 WeakPolarHBondContact O-CA 3.42Å; D559-Y561 HydrophobicContact CB-CE2 4.16Å
560	V	95.3	Very high	91.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.1	-175.3	178.4	0	0	0	0	109.8	E336 K337 H338 N530 I532 H552 Q556 V562	E336-V560 PolarHBondContact O-N 3.02Å; K337-V560 CarbonylContact C-O 3.56Å; K337-V560 WeakPolarHBondContact CA-O 3.05Å; K337-V560 HydrophobicContact CG-CB 4.47Å; H338-V560 PolarHBondContact N-O 3.41Å; N530-V560 WeakPolarHBondContact O-CA 3.48Å; I532-V560 HydrophobicContact CD1-CG1 3.87Å; I532-V560 HydrophobicContact CG1-CG1 4.21Å; H552-V560 HydrophobicContact CB-CB 4.43Å; H552-V560 HydrophobicContact CB-CG1 4.4Å; H552-V560 HydrophobicContact CB-CG2 4.17Å; Q556-V560 HydrophobicContact CG-CG2 3.77Å; V560-V562 HydrophobicContact CG1-CG2 4.44Å
561	Y	97	Very high	92	Very high	97 Å²	97	36.5 Å²	36.5	38%	0.38	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.5	178.2	-60.5	-86.2	0	0	0	110.6	H338 N530 V531 I532 D559	H338-Y561 HydrophobicContact CB-CD1 3.83Å; H338-Y561 HydrophobicContact CB-CE1 4.13Å; H338-Y561 AromaticContact CD2-CD1 3.91Å; H338-Y561 AromaticContact CD2-CE1 3.47Å; H338-Y561 VanDerWaalsContact CD2-CE1 3.47Å; H338-Y561 WeakPolarHBondContact CD2-CE1 3.49Å; H338-Y561 AromaticContact CD2-CZ 3.98Å; H338-Y561 AromaticContact CG-CE1 3.96Å; H338-Y561 CarbonylContact O-C 3.57Å; N530-Y561 PolarHBondContact O-N 3.44Å; V531-Y561 CarbonylContact C-O 3.54Å; V531-Y561 WeakPolarHBondContact CA-O 3.39Å; I532-Y561 PolarHBondContact N-O 3.32Å; D559-Y561 HydrophobicContact CB-CE2 4.16Å
562	V	97.1	Very high	92.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121	175.3	-175.2	0	0	0	0	109.3	K337 H338 E339 R340 I532 E548 V560 K564	K337-V562 HydrophobicContact CD-CG2 4.1Å; K337-V562 HydrophobicContact CG-CG2 4.13Å; H338-V562 PolarHBondContact O-N 3.43Å; E339-V562 WeakPolarHBondContact CA-O 3.34Å; E339-V562 HydrophobicContact CG-CB 4.42Å; E339-V562 HydrophobicContact CG-CG1 4.49Å; R340-V562 PolarHBondContact N-O 3.34Å; I532-V562 HydrophobicContact CB-CG2 4.33Å; I532-V562 HydrophobicContact CD1-CG2 4.3Å; I532-V562 CarbonylContact O-C 3.59Å; I532-V562 WeakPolarHBondContact O-CA 3.43Å; E548-V562 HydrophobicContact CG-CG1 4.06Å; E548-V562 HydrophobicContact CG-CG2 4.06Å; V560-V562 HydrophobicContact CG1-CG2 4.44Å; V562-K564 HydrophobicContact CG1-CG 4.37Å
563	I	97.8	Very high	92.6	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.9	-179.6	-51.3	174.5	0	0	0	108.4	R340 E342 I451 V531 I532 I533 L534 L565	R340-I563 HydrophobicContact CG-CB 4.49Å; R340-I563 HydrophobicContact CG-CG1 4.04Å; R340-I563 HydrophobicContact CG-CG2 4.36Å; R340-I563 WeakPolarHBondContact O-CA 3.02Å; E342-I563 HydrophobicContact CB-CG2 3.99Å; I451-I563 HydrophobicContact CD1-CG2 3.92Å; I451-I563 HydrophobicContact CG2-CD1 3.6Å; V531-I563 HydrophobicContact CG1-CD1 4.22Å; I532-I563 PolarHBondContact O-N 3.23Å; I533-I563 CarbonylContact C-O 3.6Å; I533-I563 WeakPolarHBondContact CA-O 3.44Å; I533-I563 HydrophobicContact CG1-CB 4.48Å; L534-I563 PolarHBondContact N-O 3.45Å; I563-L565 HydrophobicContact CG2-CD2 4.16Å
564	K	97.5	Very high	93	Very high	18 Å²	18	43.6 Å²	43.6	8%	0.078	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.9	178.4	-54.8	-173.5	175.4	171.6	0	109.6	E339 R340 L341 E342 L534 I537 E548 V562 I566	E339-K564 VanDerWaalsContact CD-NZ 3.28Å; E339-K564 WeakPolarHBondContact OE1-CD 3.23Å; E339-K564 WeakPolarHBondContact OE1-CE 3.32Å; E339-K564 IonicContact OE1-NZ 3.46Å; E339-K564 PolarHBondContact OE1-NZ 3.4Å; E339-K564 IonicContact OE2-NZ 2.9Å; R340-K564 PolarHBondContact O-N 3.23Å; L341-K564 HydrophobicContact CD2-CB 3.88Å; L341-K564 HydrophobicContact CD2-CD 4.21Å; L341-K564 HydrophobicContact CD2-CG 4.39Å; E342-K564 PolarHBondContact N-O 3.14Å; L534-K564 HydrophobicContact CB-CG 4.35Å; L534-K564 HydrophobicContact CD1-CD 4.11Å; L534-K564 HydrophobicContact CD1-CG 3.98Å; L534-K564 HydrophobicContact CG-CG 4.34Å; I537-K564 HydrophobicContact CG2-CB 4.49Å; I537-K564 HydrophobicContact CG2-CD 4.43Å; E548-K564 WeakPolarHBondContact OE1-CE 3.08Å; E548-K564 IonicContact OE1-NZ 3.07Å; E548-K564 PolarHBondContact OE1-NZ 3.19Å; V562-K564 HydrophobicContact CG1-CG 4.37Å; K564-I566 PolarHBondContact O-N 2.85Å
565	L	98.1	Very high	93.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.1	177.7	-53.8	-170.5	0	0	0	109.6	E342 K444 A447 L448 I451 I533 L534 I563	E342-L565 HydrophobicContact CB-CD2 3.73Å; E342-L565 HydrophobicContact CG-CD2 4.04Å; K444-L565 HydrophobicContact CB-CD1 4.07Å; K444-L565 HydrophobicContact CD-CB 4.21Å; K444-L565 HydrophobicContact CG-CB 4.35Å; A447-L565 HydrophobicContact CB-CD2 4.23Å; L448-L565 HydrophobicContact CD2-CD1 4.07Å; L448-L565 HydrophobicContact CG-CD1 4.11Å; I451-L565 HydrophobicContact CD1-CD2 3.78Å; I533-L565 HydrophobicContact CG2-CD1 4.12Å; I533-L565 HydrophobicContact CG2-CD2 4.33Å; I533-L565 HydrophobicContact CG2-CG 4.01Å; L534-L565 PolarHBondContact O-N 3.01Å; I563-L565 HydrophobicContact CG2-CD2 4.16Å
566	I	97.7	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.4	-177.4	-57.5	-60.4	0	0	0	108.2	L341 E342 L343 C344 I537 K564 K568 D572 E573 L576	L341-I566 HydrophobicContact CD2-CG1 4.44Å; E342-I566 PolarHBondContact O-N 3.48Å; L343-I566 CarbonylContact C-O 3.54Å; L343-I566 WeakPolarHBondContact CA-O 3.47Å; L343-I566 HydrophobicContact CD2-CB 4.16Å; L343-I566 HydrophobicContact CD2-CG2 4.08Å; C344-I566 PolarHBondContact N-O 3.4Å; I537-I566 HydrophobicContact CD1-CD1 4.12Å; I537-I566 HydrophobicContact CG2-CD1 4.12Å; K564-I566 PolarHBondContact O-N 2.85Å; I566-K568 PolarHBondContact O-N 3.18Å; I566-D572 HydrophobicContact CG2-CB 3.95Å; I566-E573 HydrophobicContact CG2-CG 3.72Å; I566-L576 HydrophobicContact CD1-CB 4.47Å; I566-L576 HydrophobicContact CD1-CD2 4.32Å; I566-L576 HydrophobicContact CG1-CD2 4.21Å
567	A	96.8	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.4	174	0	0	0	0	0	110.3	C344 L346 A377 T570 D572	C344-A567 WeakPolarHBondContact O-CA 3.13Å; L346-A567 HydrophobicContact CD2-CB 4.07Å; A377-A567 HydrophobicContact CB-CB 4.06Å; A567-T570 HydrophobicContact CB-CG2 3.76Å; A567-T570 WeakPolarHBondContact CB-OG1 3.43Å; A567-T570 PolarHBondContact O-OG1 3.47Å; A567-D572 PolarHBondContact N-OD2 3.31Å; A567-D572 VanDerWaalsContact N-OD2 3.08Å
568	K	95	Very high	94.5	Very high	73 Å²	73	37 Å²	37	32%	0.317	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	143.3	-177.1	-172.2	-172.7	173.3	-174.6	0	111.4	C344 E345 I566 T570	C344-K568 PolarHBondContact O-N 2.94Å; E345-K568 HydrophobicContact CG-CD 4.15Å; E345-K568 IonicContact OE1-NZ 3.24Å; E345-K568 PolarHBondContact OE1-NZ 2.89Å; I566-K568 PolarHBondContact O-N 3.18Å; K568-T570 WeakPolarHBondContact O-CG2 3.44Å; K568-T570 PolarHBondContact O-N 3.33Å
569	D	92.6	Very high	94.3	Very high	125 Å²	125	32.4 Å²	32.4	67%	0.668	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	31.3	-179.1	-56.5	-55.3	0	0	0	112.6	E573	D569-E573 WeakPolarHBondContact CA-OE2 3.49Å; D569-E573 PolarHBondContact N-OE2 2.55Å
570	T	94.4	Very high	94.1	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.049	18%	0.178	C	C	.	.	S	Bend	trans	-128.1	179	-179.8	79	0	0	0	0	113.3	L346 Y354 A377 A567 K568 D572 E573	L346-T570 HydrophobicContact CD1-CG2 3.73Å; L346-T570 HydrophobicContact CD2-CG2 3.96Å; L346-T570 HydrophobicContact CG-CG2 4.03Å; Y354-T570 HydrophobicContact CD2-CG2 4.17Å; Y354-T570 HydrophobicContact CE1-CG2 4.28Å; Y354-T570 HydrophobicContact CE2-CG2 3.88Å; Y354-T570 WeakPolarHBondContact OH-CA 3.17Å; A377-T570 HydrophobicContact CB-CG2 4.35Å; A567-T570 HydrophobicContact CB-CG2 3.76Å; A567-T570 WeakPolarHBondContact CB-OG1 3.43Å; A567-T570 PolarHBondContact O-OG1 3.47Å; K568-T570 WeakPolarHBondContact O-CG2 3.44Å; K568-T570 PolarHBondContact O-N 3.33Å; T570-D572 PolarHBondContact O-N 2.59Å; T570-D572 VanDerWaalsContact O-N 3.16Å; T570-D572 WeakPolarHBondContact OG1-CB 3.4Å; T570-D572 PolarHBondContact OG1-N 3.36Å; T570-E573 PolarHBondContact O-N 2.9Å
571	I	92.4	Very high	93.6	Very high	19 Å²	19	43 Å²	43	10%	0.097	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-22	175.4	-156.1	158.1	0	0	0	113.1	Y354 F370 L373 R374 E573 T574 M575	Y354-I571 WeakPolarHBondContact OH-CB 3.39Å; Y354-I571 PolarHBondContact OH-N 2.95Å; F370-I571 HydrophobicContact CB-CD1 4.4Å; F370-I571 HydrophobicContact CD2-CD1 3.14Å; F370-I571 HydrophobicContact CD2-CG1 4.04Å; F370-I571 HydrophobicContact CE2-CD1 3.37Å; F370-I571 HydrophobicContact CE2-CG1 3.75Å; F370-I571 HydrophobicContact CG-CD1 3.9Å; F370-I571 HydrophobicContact CZ-CD1 4.34Å; L373-I571 HydrophobicContact CB-CB 4.36Å; L373-I571 HydrophobicContact CB-CD1 3.99Å; L373-I571 HydrophobicContact CB-CG2 4.12Å; L373-I571 HydrophobicContact CD1-CD1 3.91Å; R374-I571 HydrophobicContact CG-CG2 3.82Å; I571-E573 VanDerWaalsContact C-N 3.31Å; I571-E573 PolarHBondContact O-N 3.49Å; I571-T574 PolarHBondContact O-N 3.4Å; I571-M575 WeakPolarHBondContact O-CG 3.13Å; I571-M575 PolarHBondContact O-N 3.47Å
572	D	94.5	Very high	92.9	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-41.5	177.3	-76.1	1.7	0	0	0	111.4	K444 I566 A567 T570 M575 L576	K444-D572 WeakPolarHBondContact CE-OD2 3.17Å; K444-D572 IonicContact NZ-OD2 3.23Å; K444-D572 PolarHBondContact NZ-OD2 3.45Å; I566-D572 HydrophobicContact CG2-CB 3.95Å; A567-D572 PolarHBondContact N-OD2 3.31Å; A567-D572 VanDerWaalsContact N-OD2 3.08Å; T570-D572 PolarHBondContact O-N 2.59Å; T570-D572 VanDerWaalsContact O-N 3.16Å; T570-D572 WeakPolarHBondContact OG1-CB 3.4Å; T570-D572 PolarHBondContact OG1-N 3.36Å; D572-M575 PolarHBondContact O-N 3.16Å; D572-L576 WeakPolarHBondContact O-CB 3.19Å; D572-L576 PolarHBondContact O-N 3.39Å
573	E	94	Very high	92.3	Very high	72 Å²	72	40.5 Å²	40.5	34%	0.336	20%	0.203	S	C	.	.	H	α-helix	trans	-67.4	-38.3	178.6	-67.6	-176.4	110.7	0	0	111.9	I566 D569 T570 I571 L576 A577	I566-E573 HydrophobicContact CG2-CG 3.72Å; D569-E573 WeakPolarHBondContact CA-OE2 3.49Å; D569-E573 PolarHBondContact N-OE2 2.55Å; T570-E573 PolarHBondContact O-N 2.9Å; I571-E573 VanDerWaalsContact C-N 3.31Å; I571-E573 PolarHBondContact O-N 3.49Å; E573-L576 PolarHBondContact O-N 2.97Å; E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 2.9Å
574	T	91.1	Very high	91.5	Very high	98 Å²	98	44.6 Å²	44.6	60%	0.601	23%	0.225	S	C	*	.	H	α-helix	trans	-65.6	-41.5	175	-60.5	0	0	0	0	111	I571 A577 C578	I571-T574 PolarHBondContact O-N 3.4Å; T574-A577 PolarHBondContact O-N 3.38Å; T574-C578 WeakPolarHBondContact O-CB 3.19Å; T574-C578 PolarHBondContact O-N 3.33Å
575	M	92.9	Very high	90.4	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-43.5	174.5	-74.1	-174.7	62.3	0	0	111.5	F370 R374 I537 I571 D572 C578 A579	F370-M575 HydrophobicContact CE1-SD 4.37Å; F370-M575 HydrophobicContact CE2-CG 4.22Å; F370-M575 HydrophobicContact CE2-SD 4.38Å; F370-M575 HydrophobicContact CZ-CE 4.4Å; F370-M575 HydrophobicContact CZ-CG 3.88Å; F370-M575 HydrophobicContact CZ-SD 3.63Å; R374-M575 VanDerWaalsContact CD-SD 3.59Å; R374-M575 HydrophobicContact CG-SD 3.96Å; I537-M575 HydrophobicContact CD1-CB 3.89Å; I537-M575 HydrophobicContact CG1-CB 4.41Å; I537-M575 HydrophobicContact CG1-CE 4.41Å; I571-M575 WeakPolarHBondContact O-CG 3.13Å; I571-M575 PolarHBondContact O-N 3.47Å; D572-M575 PolarHBondContact O-N 3.16Å; M575-C578 WeakPolarHBondContact O-CB 3.34Å; M575-C578 PolarHBondContact O-N 3.33Å; M575-A579 WeakPolarHBondContact O-CB 3.46Å; M575-A579 PolarHBondContact O-N 2.63Å
576	L	93.4	Very high	89.2	Confident	22 Å²	22	46.3 Å²	46.3	12%	0.115	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-46.9	177.3	179.8	65.9	0	0	0	111.4	L341 I537 I566 D572 E573 C578 A579 Q580	L341-L576 HydrophobicContact CD1-CD2 3.71Å; L341-L576 HydrophobicContact CD2-CD1 4.36Å; L341-L576 HydrophobicContact CD2-CD2 4.2Å; I537-L576 HydrophobicContact CD1-CB 3.92Å; I537-L576 HydrophobicContact CD1-CD1 4.39Å; I566-L576 HydrophobicContact CD1-CB 4.47Å; I566-L576 HydrophobicContact CD1-CD2 4.32Å; I566-L576 HydrophobicContact CG1-CD2 4.21Å; D572-L576 WeakPolarHBondContact O-CB 3.19Å; D572-L576 PolarHBondContact O-N 3.39Å; E573-L576 PolarHBondContact O-N 2.97Å; L576-C578 VanDerWaalsContact C-N 3.3Å; L576-C578 PolarHBondContact O-N 3.44Å; L576-A579 WeakPolarHBondContact O-CB 3.42Å; L576-A579 PolarHBondContact O-N 3.13Å; L576-Q580 HydrophobicContact CD1-CG 4.44Å; L576-Q580 WeakPolarHBondContact O-CG 3.44Å; L576-Q580 PolarHBondContact O-N 2.89Å
577	A	92.3	Very high	88.1	Confident	34 Å²	34	53.7 Å²	53.7	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-60.7	-39.4	176.6	0	0	0	0	0	111.9	E573 T574 R581	E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 2.9Å; T574-A577 PolarHBondContact O-N 3.38Å; A577-R581 WeakPolarHBondContact O-CG 3.39Å; A577-R581 PolarHBondContact O-N 3.43Å; A577-R581 VanDerWaalsContact O-N 3.12Å
578	C	88.2	Confident	86.9	Confident	30 Å²	30	59.9 Å²	59.9	20%	0.203	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-46	174.8	-173.3	0	0	0	0	111.8	T574 M575 L576 R581 K582	T574-C578 WeakPolarHBondContact O-CB 3.19Å; T574-C578 PolarHBondContact O-N 3.33Å; M575-C578 WeakPolarHBondContact O-CB 3.34Å; M575-C578 PolarHBondContact O-N 3.33Å; L576-C578 VanDerWaalsContact C-N 3.3Å; L576-C578 PolarHBondContact O-N 3.44Å; C578-R581 PolarHBondContact O-N 2.98Å; C578-K582 WeakPolarHBondContact O-CG 3.48Å; C578-K582 PolarHBondContact O-N 2.8Å; C578-K582 VanDerWaalsContact O-N 3.13Å
579	A	88.7	Confident	85.5	Confident	8 Å²	8	57.2 Å²	57.2	7%	0.066	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-46.5	176.7	0	0	0	0	0	111.7	P541 M575 L576 R581 K582 L583	P541-A579 HydrophobicContact CB-CB 4.02Å; P541-A579 HydrophobicContact CG-CB 4.04Å; M575-A579 WeakPolarHBondContact O-CB 3.46Å; M575-A579 PolarHBondContact O-N 2.63Å; L576-A579 WeakPolarHBondContact O-CB 3.42Å; L576-A579 PolarHBondContact O-N 3.13Å; A579-R581 VanDerWaalsContact C-N 3.33Å; A579-R581 PolarHBondContact O-N 3.18Å; A579-K582 WeakPolarHBondContact O-CB 3.03Å; A579-K582 PolarHBondContact O-N 2.9Å; A579-K582 VanDerWaalsContact O-N 3.15Å; A579-L583 WeakPolarHBondContact O-CG 3.24Å; A579-L583 PolarHBondContact O-N 2.98Å
580	Q	89.7	Confident	84.2	Confident	102 Å²	102	53.6 Å²	53.6	48%	0.477	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-40.4	176.8	-72.8	173.5	-12.6	0	0	112.5	L576 K582 L583 L584	L576-Q580 HydrophobicContact CD1-CG 4.44Å; L576-Q580 WeakPolarHBondContact O-CG 3.44Å; L576-Q580 PolarHBondContact O-N 2.89Å; Q580-K582 PolarHBondContact O-N 3.12Å; Q580-L583 PolarHBondContact O-N 3.49Å; Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 PolarHBondContact O-N 3.06Å
581	R	84.5	Confident	82.6	Confident	184 Å²	184	56.1 Å²	56.1	69%	0.694	28%	0.283	S	S	*	.	H	α-helix	trans	-61.6	-41.5	174.7	-73	174.5	-170.4	151.4	3.9	112.3	A577 C578 A579 L584 L585	A577-R581 WeakPolarHBondContact O-CG 3.39Å; A577-R581 PolarHBondContact O-N 3.43Å; A577-R581 VanDerWaalsContact O-N 3.12Å; C578-R581 PolarHBondContact O-N 2.98Å; A579-R581 VanDerWaalsContact C-N 3.33Å; A579-R581 PolarHBondContact O-N 3.18Å; R581-L584 PolarHBondContact O-N 2.81Å; R581-L585 PolarHBondContact O-N 2.86Å
582	K	83.3	Confident	80.6	Confident	21 Å²	21	58.8 Å²	58.8	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-44.1	176.3	-68.1	177.8	-175.6	-176.6	0	111.9	N279 Y539 P541 C578 A579 Q580 L584 L585 E586	N279-K582 WeakPolarHBondContact OD1-CE 3.41Å; N279-K582 PolarHBondContact OD1-NZ 2.89Å; Y539-K582 PolarHBondContact O-NZ 3.33Å; P541-K582 HydrophobicContact CG-CB 4.21Å; C578-K582 WeakPolarHBondContact O-CG 3.48Å; C578-K582 PolarHBondContact O-N 2.8Å; C578-K582 VanDerWaalsContact O-N 3.13Å; A579-K582 WeakPolarHBondContact O-CB 3.03Å; A579-K582 PolarHBondContact O-N 2.9Å; A579-K582 VanDerWaalsContact O-N 3.15Å; Q580-K582 PolarHBondContact O-N 3.12Å; K582-L584 VanDerWaalsContact C-N 3.32Å; K582-L584 PolarHBondContact O-N 3.48Å; K582-L585 WeakPolarHBondContact O-CB 3.2Å; K582-L585 PolarHBondContact O-N 3.07Å; K582-E586 PolarHBondContact O-N 2.85Å; K582-E586 VanDerWaalsContact O-N 3.08Å
583	L	83.5	Confident	77.9	Confident	24 Å²	24	65.5 Å²	65.5	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-36.8	176.2	-66.7	179.4	0	0	0	112.6	P541 A579 Q580 E586 R587	P541-L583 HydrophobicContact CB-CD1 3.84Å; P541-L583 HydrophobicContact CB-CD2 3.72Å; P541-L583 HydrophobicContact CB-CG 3.75Å; P541-L583 HydrophobicContact CG-CD1 4.27Å; P541-L583 HydrophobicContact CG-CD2 3.59Å; P541-L583 HydrophobicContact CG-CG 3.63Å; A579-L583 WeakPolarHBondContact O-CG 3.24Å; A579-L583 PolarHBondContact O-N 2.98Å; Q580-L583 PolarHBondContact O-N 3.49Å; L583-E586 PolarHBondContact O-N 3.22Å; L583-R587 WeakPolarHBondContact O-CG 3.38Å; L583-R587 PolarHBondContact O-N 3.12Å
584	L	81.2	Confident	75.3	Confident	91 Å²	91	70.4 Å²	70.4	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-40.5	175.6	-176.3	66	0	0	0	111.3	Q580 R581 K582 R587 K588	Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 PolarHBondContact O-N 3.06Å; R581-L584 PolarHBondContact O-N 2.81Å; K582-L584 VanDerWaalsContact C-N 3.32Å; K582-L584 PolarHBondContact O-N 3.48Å; L584-R587 PolarHBondContact O-N 3.34Å; L584-K588 HydrophobicContact CG-CD 4.32Å; L584-K588 WeakPolarHBondContact O-CB 3.32Å; L584-K588 VanDerWaalsContact O-CG 3.31Å; L584-K588 WeakPolarHBondContact O-CG 3.47Å; L584-K588 PolarHBondContact O-N 2.9Å
585	L	73.8	Confident	72.4	Confident	50 Å²	50	69.2 Å²	69.2	26%	0.262	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-47.3	175.3	-179	67.6	0	0	0	111	L277 R581 K582 K588 V589	L277-L585 HydrophobicContact CD2-CD2 4.32Å; L277-L585 HydrophobicContact CD2-CG 4.07Å; R581-L585 PolarHBondContact O-N 2.86Å; K582-L585 WeakPolarHBondContact O-CB 3.2Å; K582-L585 PolarHBondContact O-N 3.07Å; L585-K588 PolarHBondContact O-N 3.28Å; L585-V589 HydrophobicContact CD1-CG2 4.45Å; L585-V589 VanDerWaalsContact O-CG2 3.29Å; L585-V589 WeakPolarHBondContact O-CG2 3.41Å; L585-V589 PolarHBondContact O-N 2.76Å
586	E	74	Confident	69.6	Low	3 Å²	3	79.2 Å²	79.2	1%	0.014	41%	0.407	C	S	.	.	H	α-helix	trans	-55.1	-55.7	174.5	-175.3	-158.7	-171.7	0	0	111.2	L277 R324 H542 R545 K582 L583 K588 V589 T590	L277-E586 HydrophobicContact CD2-CB 4.48Å; R324-E586 IonicContact CZ-OE1 2.77Å; R324-E586 VanDerWaalsContact CZ-OE1 3.29Å; R324-E586 IonicContact NH1-OE1 3.84Å; R324-E586 PolarHBondContact NH1-OE1 2.97Å; R324-E586 IonicContact NH2-OE1 3.33Å; R324-E586 PolarHBondContact NH2-OE1 3.09Å; H542-E586 VanDerWaalsContact CE1-CD 3.44Å; H542-E586 IonicContact CE1-OE1 3.3Å; H542-E586 IonicContact CE1-OE2 2.76Å; H542-E586 PolarHBondContact CE1-OE2 3Å; H542-E586 IonicContact ND1-OE2 3.25Å; R545-E586 IonicContact NH1-OE2 2.93Å; R545-E586 PolarHBondContact NH1-OE2 3.35Å; K582-E586 PolarHBondContact O-N 2.85Å; K582-E586 VanDerWaalsContact O-N 3.08Å; L583-E586 PolarHBondContact O-N 3.22Å; E586-K588 VanDerWaalsContact C-N 3.28Å; E586-K588 PolarHBondContact O-N 2.94Å; E586-V589 PolarHBondContact O-N 3.47Å; E586-T590 HydrophobicContact CG-CG2 4.49Å; E586-T590 PolarHBondContact O-N 2.89Å; E586-T590 PolarHBondContact O-OG1 3.12Å
587	R	74.9	Confident	66.7	Low	156 Å²	156	84.8 Å²	84.8	59%	0.589	43%	0.432	S	S	*	.	H	α-helix	trans	-55.4	-43.1	-179.8	-75.2	179	175.4	172.4	-0.1	111.8	L583 L584 V589 T590 A591	L583-R587 WeakPolarHBondContact O-CG 3.38Å; L583-R587 PolarHBondContact O-N 3.12Å; L584-R587 PolarHBondContact O-N 3.34Å; R587-V589 VanDerWaalsContact C-N 3.32Å; R587-V589 PolarHBondContact O-N 3.4Å; R587-T590 PolarHBondContact O-N 2.91Å; R587-A591 WeakPolarHBondContact O-CA 3.25Å; R587-A591 WeakPolarHBondContact O-CB 3.43Å; R587-A591 PolarHBondContact O-N 3.09Å
588	K	70.1	Confident	64	Low	130 Å²	130	91 Å²	91	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-64.5	-34	178.2	-77.2	-179.1	175.6	-171.6	0	113.5	K315 L584 L585 E586	K315-K588 WeakPolarHBondContact CE-O 3.46Å; K315-K588 PolarHBondContact NZ-O 2.9Å; K315-K588 VanDerWaalsContact NZ-O 3.14Å; L584-K588 HydrophobicContact CG-CD 4.32Å; L584-K588 WeakPolarHBondContact O-CB 3.32Å; L584-K588 VanDerWaalsContact O-CG 3.31Å; L584-K588 WeakPolarHBondContact O-CG 3.47Å; L584-K588 PolarHBondContact O-N 2.9Å; L585-K588 PolarHBondContact O-N 3.28Å; E586-K588 VanDerWaalsContact C-N 3.28Å; E586-K588 PolarHBondContact O-N 2.94Å
589	V	66.3	Low	61.7	Low	17 Å²	17	90.3 Å²	90.3	10%	0.103	45%	0.45	C	S	.	.	H	α-helix	trans	-79.9	-33.4	-179.9	175	0	0	0	0	111.1	L277 L281 L284 I311 K315 L585 E586 R587	L277-V589 HydrophobicContact CD2-CB 4.22Å; L277-V589 HydrophobicContact CD2-CG2 4.06Å; L281-V589 HydrophobicContact CD2-CG2 3.8Å; L284-V589 HydrophobicContact CD2-CG1 4.23Å; I311-V589 HydrophobicContact CG2-CG2 4.48Å; K315-V589 HydrophobicContact CG-CG1 4.43Å; L585-V589 HydrophobicContact CD1-CG2 4.45Å; L585-V589 VanDerWaalsContact O-CG2 3.29Å; L585-V589 WeakPolarHBondContact O-CG2 3.41Å; L585-V589 PolarHBondContact O-N 2.76Å; E586-V589 PolarHBondContact O-N 3.47Å; R587-V589 VanDerWaalsContact C-N 3.32Å; R587-V589 PolarHBondContact O-N 3.4Å
590	T	65	Low	59.1	Low	48 Å²	48	94.4 Å²	94.4	29%	0.294	47%	0.471	S	S	.	.	H	α-helix	trans	-106.2	-21.1	-170.2	63.6	0	0	0	0	115.5	R324 E586 R587 A592	R324-T590 VanDerWaalsContact NH1-CB 3.31Å; R324-T590 PolarHBondContact NH1-OG1 3.49Å; R324-T590 VanDerWaalsContact NH1-OG1 3.1Å; E586-T590 HydrophobicContact CG-CG2 4.49Å; E586-T590 PolarHBondContact O-N 2.89Å; E586-T590 PolarHBondContact O-OG1 3.12Å; R587-T590 PolarHBondContact O-N 2.91Å; T590-A592 PolarHBondContact O-N 3.31Å
591	A	60.1	Low	56.9	Low	62 Å²	62	90.8 Å²	90.8	51%	0.512	45%	0.454	S	S	.	.	S	Bend	trans	-70.5	116.5	170	0	0	0	0	0	108	R587 E593	R587-A591 WeakPolarHBondContact O-CA 3.25Å; R587-A591 WeakPolarHBondContact O-CB 3.43Å; R587-A591 PolarHBondContact O-N 3.09Å; A591-E593 PolarHBondContact O-N 3.06Å
592	A	50.7	Low	54.7	Low	75 Å²	75	85 Å²	85	62%	0.62	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-62	122.1	159.8	0	0	0	0	0	106.3	T590 D594	T590-A592 PolarHBondContact O-N 3.31Å; A592-D594 PolarHBondContact O-N 3.25Å
593	E	39.2	Very low	52.5	Low	143 Å²	143	87 Å²	87	67%	0.668	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-51.1	135.6	172.4	-67.8	-177.6	161.2	0	0	108.8	A591 S595	A591-E593 PolarHBondContact O-N 3.06Å; E593-S595 PolarHBondContact O-N 3.03Å; E593-S595 PolarHBondContact O-OG 3.33Å; E593-S595 VanDerWaalsContact O-OG 3.12Å
594	D	37.8	Very low	50.4	Low	175 Å²	175	86.1 Å²	86.1	94%	0.936	44%	0.444	S	S	*	.	S	Bend	trans	-56.1	15.7	-179.2	-74.8	-50.4	0	0	0	115.2	A592	A592-D594 PolarHBondContact O-N 3.25Å
595	S	31.8	Very low	48.5	Very low	74 Å²	74	81.9 Å²	81.9	52%	0.517	42%	0.422	S	S	.	.	S	Bend	trans	-64.3	132.4	163.6	61	0	0	0	0	110.6	E593 E597	E593-S595 PolarHBondContact O-N 3.03Å; E593-S595 PolarHBondContact O-OG 3.33Å; E593-S595 VanDerWaalsContact O-OG 3.12Å; S595-E597 PolarHBondContact O-N 2.94Å
596	K	32.6	Very low	46.6	Very low	215 Å²	215	86.6 Å²	86.6	94%	0.935	44%	0.436	S	S	*	.	S	Bend	trans	-51.9	3.5	-173.7	-70.3	170.1	174	175.3	0	117.3	K598	K596-K598 PolarHBondContact O-N 2.96Å
597	E	33.5	Very low	44.8	Very low	138 Å²	138	89.2 Å²	89.2	65%	0.645	45%	0.449	S	S	*	.			trans	-88.6	71.8	169.6	-70.9	-175.4	164.3	0	0	110.8	S595 G599	S595-E597 PolarHBondContact O-N 2.94Å; E597-G599 PolarHBondContact O-N 3.1Å
598	K	34.3	Very low	43.2	Very low	166 Å²	166	82.2 Å²	82.2	72%	0.722	42%	0.422	S	S	*	.			trans	-50.6	114.4	159.6	-75.6	-174.3	177.2	-177.8	0	106.7	K596 L600 V603	K596-K598 PolarHBondContact O-N 2.96Å; K598-L600 PolarHBondContact O-N 3.27Å; K598-V603 HydrophobicContact CB-CG2 4.03Å
599	G	40.9	Very low	41.7	Very low	14 Å²	14	78.2 Å²	78.2	14%	0.144	41%	0.409	C	S	.	.			trans	-41.1	122.3	-164.9	0	0	0	0	0	112	K319 E597 L601 F602	K319-G599 VanDerWaalsContact CE-CA 3.44Å; E597-G599 PolarHBondContact O-N 3.1Å; G599-L601 PolarHBondContact O-N 3.47Å; G599-F602 PolarHBondContact O-N 3.3Å
600	L	34.7	Very low	40.5	Very low	94 Å²	94	79 Å²	79	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-43.5	-39.9	-170.9	-110.6	83.1	0	0	0	112.3	K598 F602 V603 S604	K598-L600 PolarHBondContact O-N 3.27Å; L600-F602 PolarHBondContact O-N 3.38Å; L600-V603 PolarHBondContact O-N 3.31Å; L600-S604 WeakPolarHBondContact O-CB 3.5Å; L600-S604 PolarHBondContact O-N 3.06Å; L600-S604 PolarHBondContact O-OG 3Å
601	L	42.8	Very low	39.1	Very low	26 Å²	26	81.9 Å²	81.9	14%	0.136	43%	0.433	C	S	.	.	H	α-helix	trans	-55.9	-42.9	175.2	-93.8	138	0	0	0	115.2	L78 G599 S604 C605	L78-L601 HydrophobicContact CD2-CD2 4.37Å; G599-L601 PolarHBondContact O-N 3.47Å; L601-S604 PolarHBondContact O-N 3.29Å; L601-C605 WeakPolarHBondContact O-CB 3.49Å; L601-C605 PolarHBondContact O-N 3.14Å; L601-C605 PolarHBondContact O-SG 3.05Å
602	F	38.9	Very low	38.1	Very low	64 Å²	64	83.2 Å²	83.2	28%	0.281	43%	0.432	S	S	.	.	H	α-helix	trans	-72.5	-34.3	-177.3	-152.2	-85.7	0	0	0	111.9	I128 L323 R325 G599 L600	I128-F602 HydrophobicContact CD1-CE1 4.26Å; I128-F602 HydrophobicContact CG2-CE1 4.45Å; I128-F602 HydrophobicContact CG2-CZ 4.33Å; L323-F602 HydrophobicContact CD1-CD2 3.66Å; L323-F602 HydrophobicContact CD1-CE2 3.64Å; R325-F602 HydrophobicContact CG-CE2 4.08Å; R325-F602 HydrophobicContact CG-CZ 4.22Å; G599-F602 PolarHBondContact O-N 3.3Å; L600-F602 PolarHBondContact O-N 3.38Å
603	V	37.4	Very low	37.3	Very low	61 Å²	61	85 Å²	85	37%	0.37	43%	0.427	S	S	.	.	H	α-helix	trans	-74.9	-39.6	174.3	-178.2	0	0	0	0	110.3	K598 L600 R606	K598-V603 HydrophobicContact CB-CG2 4.03Å; L600-V603 PolarHBondContact O-N 3.31Å; V603-R606 PolarHBondContact O-N 3.39Å
604	S	39.2	Very low	37.2	Very low	7 Å²	7	86.4 Å²	86.4	5%	0.049	43%	0.434	C	S	.	.	H	α-helix	trans	-64.9	-40.3	179.2	-95.3	0	0	0	0	113.1	V82 K86 L600 L601 R606 H607	V82-S604 WeakPolarHBondContact CG1-O 3.43Å; K86-S604 WeakPolarHBondContact CE-OG 3.42Å; K86-S604 PolarHBondContact NZ-OG 3.26Å; L600-S604 WeakPolarHBondContact O-CB 3.5Å; L600-S604 PolarHBondContact O-N 3.06Å; L600-S604 PolarHBondContact O-OG 3Å; L601-S604 PolarHBondContact O-N 3.29Å; S604-R606 VanDerWaalsContact C-N 3.28Å; S604-R606 PolarHBondContact O-N 2.97Å; S604-H607 PolarHBondContact O-N 3.19Å
605	C	40.5	Very low	37.2	Very low	1 Å²	1	81 Å²	81	1%	0.007	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-70	-18	179.7	-67.2	0	0	0	0	114.9	I128 L601 H607 I608	I128-C605 HydrophobicContact CG2-CB 4.34Å; L601-C605 WeakPolarHBondContact O-CB 3.49Å; L601-C605 PolarHBondContact O-N 3.14Å; L601-C605 PolarHBondContact O-SG 3.05Å; C605-H607 PolarHBondContact O-N 3.21Å; C605-I608 HydrophobicContact CB-CD1 4.3Å
606	R	34.8	Very low	37.5	Very low	150 Å²	150	79.6 Å²	79.6	57%	0.566	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.9	177	-75.3	-178.8	177.2	-162.3	-4	113.5	I128 V603 S604	I128-R606 HydrophobicContact CD1-CG 3.97Å; I128-R606 HydrophobicContact CG1-CG 4.35Å; V603-R606 PolarHBondContact O-N 3.39Å; S604-R606 VanDerWaalsContact C-N 3.28Å; S604-R606 PolarHBondContact O-N 2.97Å
607	H	35.6	Very low	37.7	Very low	58 Å²	58	72.3 Å²	72.3	27%	0.269	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-114	3.8	-172.5	-61.2	-68.5	0	0	0	113.4	S604 C605 T609	S604-H607 PolarHBondContact O-N 3.19Å; C605-H607 PolarHBondContact O-N 3.21Å; H607-T609 PolarHBondContact O-N 3.47Å
608	I	40.7	Very low	37.9	Very low	8 Å²	8	67.9 Å²	67.9	4%	0.041	35%	0.345	C	S	.	.			trans	-77	112	179.6	-59.3	174.1	0	0	0	109.3	V82 L85 L135 C605 F610	V82-I608 HydrophobicContact CB-CD1 4.49Å; V82-I608 HydrophobicContact CG1-CD1 3.85Å; V82-I608 HydrophobicContact CG1-CG1 3.85Å; V82-I608 HydrophobicContact CG2-CD1 3.91Å; L85-I608 HydrophobicContact CB-CG1 4.49Å; L85-I608 HydrophobicContact CD1-CD1 4.18Å; L85-I608 HydrophobicContact CD1-CG1 4.17Å; L85-I608 HydrophobicContact CD1-CG2 3.7Å; L85-I608 HydrophobicContact CD2-CG2 4.48Å; L85-I608 HydrophobicContact CG-CG2 4.44Å; L135-I608 HydrophobicContact CD2-CD1 4.4Å; C605-I608 HydrophobicContact CB-CD1 4.3Å; I608-F610 HydrophobicContact CG2-CD2 4.27Å; I608-F610 HydrophobicContact CG2-CE1 4Å; I608-F610 HydrophobicContact CG2-CE2 3.61Å; I608-F610 HydrophobicContact CG2-CZ 3.41Å; I608-F610 VanDerWaalsContact CG2-CZ 3.41Å
609	T	38.5	Very low	38.1	Very low	47 Å²	47	60.2 Å²	60.2	29%	0.288	31%	0.312	S	S	.	.			trans	-112.9	127.7	166.5	50.9	0	0	0	0	108.4	L99 H607	L99-T609 HydrophobicContact CD2-CG2 3.98Å; H607-T609 PolarHBondContact O-N 3.47Å
610	F	40.9	Very low	38	Very low	34 Å²	34	60.8 Å²	60.8	15%	0.149	31%	0.311	C	S	.	.			trans	-86.8	137.3	174.2	-64.4	-76.9	0	0	0	109.2	I134 K138 I608 I616	I134-F610 HydrophobicContact CB-CE2 4.12Å; I134-F610 HydrophobicContact CB-CZ 4.14Å; I134-F610 HydrophobicContact CD1-CD2 4.47Å; I134-F610 HydrophobicContact CD1-CE2 4.05Å; I134-F610 HydrophobicContact CG2-CD2 4.2Å; I134-F610 HydrophobicContact CG2-CE1 3.76Å; I134-F610 HydrophobicContact CG2-CE2 3.36Å; I134-F610 HydrophobicContact CG2-CZ 3.13Å; K138-F610 HydrophobicContact CD-CE1 4.15Å; I608-F610 HydrophobicContact CG2-CD2 4.27Å; I608-F610 HydrophobicContact CG2-CE1 4Å; I608-F610 HydrophobicContact CG2-CE2 3.61Å; I608-F610 HydrophobicContact CG2-CZ 3.41Å; I608-F610 VanDerWaalsContact CG2-CZ 3.41Å; F610-I616 HydrophobicContact CB-CD1 3.37Å; F610-I616 HydrophobicContact CB-CG1 3.36Å; F610-I616 HydrophobicContact CG-CG1 4.21Å; F610-I616 WeakPolarHBondContact O-CD1 3.2Å
611	S	36.9	Very low	38.4	Very low	107 Å²	107	58.9 Å²	58.9	75%	0.748	30%	0.298	S	S	*	.			trans	-96.4	-12.9	178.8	48.4	0	0	0	0	113.8	E613	S611-E613 PolarHBondContact O-N 2.94Å
612	D	37.8	Very low	38.2	Very low	91 Å²	91	59 Å²	59	49%	0.487	30%	0.297	S	S	.	.			trans	-93.6	101.3	-176.9	-62.9	-33.7	0	0	0	110.3	E614 D615 I616	D612-E614 VanDerWaalsContact C-N 3.26Å; D612-E614 PolarHBondContact O-N 3.18Å; D612-D615 HydrophobicContact CB-CB 4.02Å; D612-D615 PolarHBondContact O-N 3.44Å; D612-I616 WeakPolarHBondContact O-CD1 3.48Å; D612-I616 WeakPolarHBondContact O-CG1 3.23Å; D612-I616 PolarHBondContact O-N 3.38Å
613	E	34.2	Very low	38.1	Very low	112 Å²	112	56.6 Å²	56.6	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-35.3	-176.1	-71	-179.9	160	0	0	113	H106 Q110 S611 E617	H106-E613 IonicContact NE2-OE1 3.59Å; Q110-E613 PolarHBondContact NE2-OE1 3.48Å; S611-E613 PolarHBondContact O-N 2.94Å; E613-E617 PolarHBondContact O-N 3Å
614	E	36.3	Very low	38.3	Very low	172 Å²	172	54.6 Å²	54.6	80%	0.804	28%	0.275	S	S	*	.	H	α-helix	trans	-74.1	-34.5	179.3	-71.8	-172.6	153.3	0	0	113.6	D612 S618	D612-E614 VanDerWaalsContact C-N 3.26Å; D612-E614 PolarHBondContact O-N 3.18Å; E614-S618 VanDerWaalsContact O-CB 3.26Å; E614-S618 WeakPolarHBondContact O-CB 3.46Å; E614-S618 PolarHBondContact O-N 3.32Å; E614-S618 VanDerWaalsContact O-N 3.15Å
615	D	39.7	Very low	38.4	Very low	63 Å²	63	54.5 Å²	54.5	34%	0.337	27%	0.274	S	S	.	.	H	α-helix	trans	-70.6	-41.8	178.3	-100	-1.1	0	0	0	110.5	K138 D612 S618 L619	K138-D615 IonicContact NZ-OD2 3.86Å; K138-D615 PolarHBondContact NZ-OD2 2.95Å; D612-D615 HydrophobicContact CB-CB 4.02Å; D612-D615 PolarHBondContact O-N 3.44Å; D615-S618 PolarHBondContact O-N 3.4Å; D615-L619 HydrophobicContact CB-CD1 4.5Å; D615-L619 VanDerWaalsContact O-CB 3.23Å; D615-L619 WeakPolarHBondContact O-CB 3.36Å; D615-L619 WeakPolarHBondContact O-CD1 3.42Å; D615-L619 PolarHBondContact O-N 2.97Å
616	I	36.4	Very low	37.9	Very low	44 Å²	44	56.9 Å²	56.9	23%	0.226	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-41.2	-179.5	-62.7	164.4	0	0	0	110.7	F610 D612 L619 L620	F610-I616 HydrophobicContact CB-CD1 3.37Å; F610-I616 HydrophobicContact CB-CG1 3.36Å; F610-I616 HydrophobicContact CG-CG1 4.21Å; F610-I616 WeakPolarHBondContact O-CD1 3.2Å; D612-I616 WeakPolarHBondContact O-CD1 3.48Å; D612-I616 WeakPolarHBondContact O-CG1 3.23Å; D612-I616 PolarHBondContact O-N 3.38Å; I616-L619 PolarHBondContact O-N 3.38Å; I616-L620 HydrophobicContact CG2-CD1 3.49Å; I616-L620 VanDerWaalsContact CG2-CD1 3.49Å; I616-L620 HydrophobicContact CG2-CG 4.03Å; I616-L620 WeakPolarHBondContact O-CB 3.44Å; I616-L620 WeakPolarHBondContact O-CG 3.37Å; I616-L620 PolarHBondContact O-N 3.49Å
617	E	37.6	Very low	38.1	Very low	61 Å²	61	52.3 Å²	52.3	29%	0.285	28%	0.275	S	S	.	.	H	α-helix	trans	-68.4	-42.8	178.4	-156.4	-170.7	147.7	0	0	111.7	F115 E613 L619 R621	F115-E617 HydrophobicContact CE1-CG 4.2Å; E613-E617 PolarHBondContact O-N 3Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.43Å; E617-R621 VanDerWaalsContact O-CB 3.29Å; E617-R621 WeakPolarHBondContact O-CB 3.36Å; E617-R621 WeakPolarHBondContact O-CD 3.39Å; E617-R621 WeakPolarHBondContact O-CG 3.18Å; E617-R621 PolarHBondContact O-N 3Å; E617-R621 IonicContact OE1-CZ 3.27Å; E617-R621 IonicContact OE1-NE 2.74Å; E617-R621 PolarHBondContact OE1-NE 3.33Å; E617-R621 IonicContact OE1-NH2 3.56Å; E617-R621 PolarHBondContact OE1-NH2 3.2Å
618	S	37.1	Very low	38.2	Very low	46 Å²	46	51.9 Å²	51.9	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-38.3	173.7	174.8	0	0	0	0	112.9	E614 D615 Q622	E614-S618 VanDerWaalsContact O-CB 3.26Å; E614-S618 WeakPolarHBondContact O-CB 3.46Å; E614-S618 PolarHBondContact O-N 3.32Å; E614-S618 VanDerWaalsContact O-N 3.15Å; D615-S618 PolarHBondContact O-N 3.4Å; S618-Q622 PolarHBondContact O-N 3.45Å
619	L	39.1	Very low	38.1	Very low	5 Å²	5	54.4 Å²	54.4	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-80.6	-39.8	178.8	-92.9	100.6	0	0	0	113.9	I134 R137 D615 I616 E617 R621 Q622 V623	I134-L619 HydrophobicContact CB-CD2 3.46Å; I134-L619 VanDerWaalsContact CB-CD2 3.46Å; I134-L619 HydrophobicContact CD1-CB 4.45Å; I134-L619 HydrophobicContact CD1-CD2 4.22Å; I134-L619 HydrophobicContact CG1-CB 4.28Å; I134-L619 HydrophobicContact CG1-CD2 3.36Å; I134-L619 HydrophobicContact CG1-CG 4.45Å; I134-L619 HydrophobicContact CG2-CD2 3.26Å; R137-L619 HydrophobicContact CB-CD2 4.29Å; R137-L619 HydrophobicContact CG-CD2 4.4Å; R137-L619 VanDerWaalsContact NH1-CD1 3.25Å; D615-L619 HydrophobicContact CB-CD1 4.5Å; D615-L619 VanDerWaalsContact O-CB 3.23Å; D615-L619 WeakPolarHBondContact O-CB 3.36Å; D615-L619 WeakPolarHBondContact O-CD1 3.42Å; D615-L619 PolarHBondContact O-N 2.97Å; I616-L619 PolarHBondContact O-N 3.38Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.43Å; L619-R621 PolarHBondContact O-N 3.1Å; L619-Q622 CarbonylContact O-C 3.57Å; L619-Q622 PolarHBondContact O-N 2.91Å; L619-V623 WeakPolarHBondContact O-CB 3.27Å; L619-V623 WeakPolarHBondContact O-CG2 3.36Å; L619-V623 PolarHBondContact O-N 3.5Å
620	L	39.2	Very low	38.1	Very low	26 Å²	26	54.8 Å²	54.8	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-37.7	172.9	-73.8	169.3	0	0	0	110.2	F115 L130 I616 Q622 I624	F115-L620 HydrophobicContact CZ-CB 4.38Å; L130-L620 HydrophobicContact CD1-CD2 4.49Å; L130-L620 HydrophobicContact CD2-CD2 3.76Å; I616-L620 HydrophobicContact CG2-CD1 3.49Å; I616-L620 VanDerWaalsContact CG2-CD1 3.49Å; I616-L620 HydrophobicContact CG2-CG 4.03Å; I616-L620 WeakPolarHBondContact O-CB 3.44Å; I616-L620 WeakPolarHBondContact O-CG 3.37Å; I616-L620 PolarHBondContact O-N 3.49Å; L620-Q622 PolarHBondContact O-N 3.17Å; L620-I624 HydrophobicContact CB-CD1 4.23Å; L620-I624 HydrophobicContact CD2-CD1 3.74Å; L620-I624 HydrophobicContact CD2-CG1 4.29Å; L620-I624 VanDerWaalsContact O-CB 3.3Å; L620-I624 WeakPolarHBondContact O-CB 2.98Å; L620-I624 WeakPolarHBondContact O-CG1 3.45Å; L620-I624 PolarHBondContact O-N 3.49Å; L620-I624 VanDerWaalsContact O-N 3.14Å
621	R	42.6	Very low	37.9	Very low	54 Å²	54	56.1 Å²	56.1	20%	0.204	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-26.2	170.6	-75.7	170.3	-174.4	-102.4	4.6	113.5	F115 E617 L619 R625	F115-R621 HydrophobicContact CE1-CG 4.06Å; F115-R621 HydrophobicContact CE2-CG 4.21Å; F115-R621 HydrophobicContact CZ-CG 3.89Å; E617-R621 VanDerWaalsContact O-CB 3.29Å; E617-R621 WeakPolarHBondContact O-CB 3.36Å; E617-R621 WeakPolarHBondContact O-CD 3.39Å; E617-R621 WeakPolarHBondContact O-CG 3.18Å; E617-R621 PolarHBondContact O-N 3Å; E617-R621 IonicContact OE1-CZ 3.27Å; E617-R621 IonicContact OE1-NE 2.74Å; E617-R621 PolarHBondContact OE1-NE 3.33Å; E617-R621 IonicContact OE1-NH2 3.56Å; E617-R621 PolarHBondContact OE1-NH2 3.2Å; L619-R621 PolarHBondContact O-N 3.1Å; R621-R625 WeakPolarHBondContact O-CD 3.21Å; R621-R625 WeakPolarHBondContact O-CG 3.24Å; R621-R625 PolarHBondContact O-NE 2.69Å
622	Q	39	Very low	37.9	Very low	28 Å²	28	52.7 Å²	52.7	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-106.6	-21.2	-176	-79.2	-177.3	-7.4	0	0	115.2	R137 I168 S618 L619 L620 R625	R137-Q622 VanDerWaalsContact CZ-OE1 3.23Å; I168-Q622 HydrophobicContact CD1-CG 4.5Å; S618-Q622 PolarHBondContact O-N 3.45Å; L619-Q622 CarbonylContact O-C 3.57Å; L619-Q622 PolarHBondContact O-N 2.91Å; L620-Q622 PolarHBondContact O-N 3.17Å; Q622-R625 WeakPolarHBondContact O-CB 3.32Å
623	V	36.9	Very low	37.9	Very low	13 Å²	13	50 Å²	50	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-103.5	-28.6	-177.8	-171.3	0	0	0	0	111.5	L130 L133 I134 L619 R625 T626	L130-V623 HydrophobicContact CD1-CB 3.34Å; L130-V623 HydrophobicContact CD1-CG1 3.19Å; L130-V623 HydrophobicContact CD1-CG2 4.31Å; L130-V623 HydrophobicContact CG-CG1 4.45Å; L133-V623 HydrophobicContact CB-CG1 3.77Å; L133-V623 HydrophobicContact CD1-CG1 3.64Å; L133-V623 HydrophobicContact CG-CG1 4.36Å; I134-V623 HydrophobicContact CG1-CG2 4.31Å; L619-V623 WeakPolarHBondContact O-CB 3.27Å; L619-V623 WeakPolarHBondContact O-CG2 3.36Å; L619-V623 PolarHBondContact O-N 3.5Å; V623-R625 PolarHBondContact O-N 3.44Å; V623-T626 WeakPolarHBondContact O-CB 3.37Å; V623-T626 PolarHBondContact O-N 3.29Å; V623-T626 PolarHBondContact O-OG1 3.39Å
624	I	40.5	Very low	38.2	Very low	20 Å²	20	45.2 Å²	45.2	10%	0.103	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.1	164	-53.6	175	0	0	0	111	L116 L122 L620 T626	L116-I624 HydrophobicContact CD1-CD1 3.98Å; L116-I624 HydrophobicContact CD2-CD1 4.06Å; L116-I624 HydrophobicContact CD2-CG2 3.93Å; L122-I624 HydrophobicContact CD1-CD1 4.44Å; L620-I624 HydrophobicContact CB-CD1 4.23Å; L620-I624 HydrophobicContact CD2-CD1 3.74Å; L620-I624 HydrophobicContact CD2-CG1 4.29Å; L620-I624 VanDerWaalsContact O-CB 3.3Å; L620-I624 WeakPolarHBondContact O-CB 2.98Å; L620-I624 WeakPolarHBondContact O-CG1 3.45Å; L620-I624 PolarHBondContact O-N 3.49Å; L620-I624 VanDerWaalsContact O-N 3.14Å; I624-T626 PolarHBondContact O-N 2.96Å
625	R	41.5	Very low	38.4	Very low	4 Å²	4	34.7 Å²	34.7	2%	0.015	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.4	163.2	-85.8	-179.6	-161.3	168.3	2.3	114	S164 I168 L187 D215 R621 Q622 V623	S164-R625 PolarHBondContact OG-NH1 2.88Å; S164-R625 PolarHBondContact OG-NH2 3.36Å; I168-R625 HydrophobicContact CD1-CB 4.25Å; I168-R625 HydrophobicContact CD1-CG 4.39Å; L187-R625 HydrophobicContact CD1-CG 3.22Å; L187-R625 HydrophobicContact CD2-CG 4.46Å; L187-R625 VanDerWaalsContact CD2-CZ 3.41Å; L187-R625 HydrophobicContact CG-CG 4.45Å; D215-R625 IonicContact OD1-NH2 3.14Å; D215-R625 IonicContact OD2-NH2 2.86Å; R621-R625 WeakPolarHBondContact O-CD 3.21Å; R621-R625 WeakPolarHBondContact O-CG 3.24Å; R621-R625 PolarHBondContact O-NE 2.69Å; Q622-R625 WeakPolarHBondContact O-CB 3.32Å; V623-R625 PolarHBondContact O-N 3.44Å
626	T	31.3	Very low	38.3	Very low	52 Å²	52	32.1 Å²	32.1	32%	0.319	17%	0.168	S	C	.	.			trans	-124.7	0	-177	-30.3	0	0	0	0	109.9	W176 I243 I270 L272 V623 I624	W176-T626 VanDerWaalsContact CH2-O 3.29Å; W176-T626 WeakPolarHBondContact CH2-O 3.42Å; I243-T626 HydrophobicContact CD1-CG2 3.63Å; I243-T626 HydrophobicContact CG1-CG2 4.28Å; I243-T626 HydrophobicContact CG2-CG2 3.98Å; I270-T626 HydrophobicContact CG2-CG2 4.48Å; L272-T626 HydrophobicContact CD1-CG2 4.24Å; L272-T626 HydrophobicContact CD2-CG2 4.15Å; V623-T626 WeakPolarHBondContact O-CB 3.37Å; V623-T626 PolarHBondContact O-N 3.29Å; V623-T626 PolarHBondContact O-OG1 3.39Å; I624-T626 PolarHBondContact O-N 2.96Å

Retrieved 626 of 626 residues in 385.1 ms (Link to these results)

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