A0A077Z2H7_TRITR Loading...

Ras and EF-hand 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2H7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.6	Very low	45.3	Very low	220 Å²	220	128.2 Å²	128.2	100%	1.084	66%	0.66	S	S	*	*				0	-16.6	0	-79.8	177.4	168.8	0	0	113.9
2	N	41.4	Very low	46.4	Very low	137 Å²	137	119.4 Å²	119.4	73%	0.733	62%	0.621	S	S	*	*			trans	-79.1	-29.9	178	-70.8	-5	0	0	0	114.9	K4 K5	N2-K4 VanDerWaalsContact C-N 3.28Å; N2-K4 PolarHBondContact O-N 2.98Å; N2-K5 PolarHBondContact O-N 3.21Å
3	S	37.5	Very low	47.2	Very low	110 Å²	110	114.4 Å²	114.4	77%	0.769	60%	0.595	S	S	*	*	H	α-helix	trans	-70.3	-18.3	-179.3	-164.7	0	0	0	0	114.8
4	K	39.5	Very low	48.4	Very low	173 Å²	173	115.7 Å²	115.7	75%	0.752	60%	0.597	S	S	*	*	H	α-helix	trans	-90.3	-12.3	175.6	-82.1	-172	173.9	-174.3	0	113.3	N2 S7	N2-K4 VanDerWaalsContact C-N 3.28Å; N2-K4 PolarHBondContact O-N 2.98Å; K4-S7 PolarHBondContact O-OG 3.35Å; K4-S7 VanDerWaalsContact O-OG 3.11Å
5	K	38.7	Very low	49.7	Very low	147 Å²	147	113.1 Å²	113.1	64%	0.639	59%	0.588	S	S	*	*	H	α-helix	trans	-84.8	-41.3	175.3	-88.4	-172	171.1	-171.3	0	111.4	N2 S7 N8 E9	N2-K5 PolarHBondContact O-N 3.21Å; K5-S7 VanDerWaalsContact C-N 3.32Å; K5-S7 PolarHBondContact O-N 3.26Å; K5-N8 PolarHBondContact O-N 3.24Å; K5-E9 PolarHBondContact O-N 3.28Å
6	C	39	Very low	50.7	Low	83 Å²	83	108.4 Å²	108.4	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-62.3	-36.1	174.9	-75.7	0	0	0	0	113.1	N8 E9 E10	C6-N8 VanDerWaalsContact C-N 3.34Å; C6-N8 PolarHBondContact O-N 3.31Å; C6-E9 PolarHBondContact O-N 2.76Å; C6-E10 PolarHBondContact O-N 3.46Å
7	S	42.8	Very low	51.7	Low	56 Å²	56	103.2 Å²	103.2	39%	0.392	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-37.3	178.7	57.2	0	0	0	0	112.9	K4 K5 E11	K4-S7 PolarHBondContact O-OG 3.35Å; K4-S7 VanDerWaalsContact O-OG 3.11Å; K5-S7 VanDerWaalsContact C-N 3.32Å; K5-S7 PolarHBondContact O-N 3.26Å; S7-E11 WeakPolarHBondContact O-CB 3.23Å; S7-E11 PolarHBondContact O-N 2.79Å
8	N	51	Low	53	Low	106 Å²	106	103.2 Å²	103.2	57%	0.567	54%	0.536	S	S	*	.	H	α-helix	trans	-75.7	-26.9	179.1	-81.5	20	0	0	0	112.9	K5 C6 A12	K5-N8 PolarHBondContact O-N 3.24Å; C6-N8 VanDerWaalsContact C-N 3.34Å; C6-N8 PolarHBondContact O-N 3.31Å; N8-A12 VanDerWaalsContact O-CB 3.26Å; N8-A12 WeakPolarHBondContact O-CB 3.4Å; N8-A12 PolarHBondContact O-N 2.93Å
9	E	49.2	Very low	54	Low	123 Å²	123	103.7 Å²	103.7	58%	0.575	54%	0.535	S	S	*	.	H	α-helix	trans	-75	-41.5	177.6	-76.9	171.7	179.2	0	0	111.2	K5 C6 L13	K5-E9 PolarHBondContact O-N 3.28Å; C6-E9 PolarHBondContact O-N 2.76Å; E9-L13 WeakPolarHBondContact O-CB 3.49Å; E9-L13 PolarHBondContact O-N 2.88Å
10	E	56.1	Low	55	Low	134 Å²	134	99.8 Å²	99.8	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-69	-42.9	179	-159.2	167.2	-162.6	0	0	111.9	C6 A12 L13 E14	C6-E10 PolarHBondContact O-N 3.46Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 2.85Å; E10-L13 PolarHBondContact O-N 3.37Å; E10-E14 WeakPolarHBondContact O-CB 3.44Å; E10-E14 PolarHBondContact O-N 2.94Å
11	E	58.8	Low	56.2	Low	121 Å²	121	95 Å²	95	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-64.3	-37.2	176.6	-167.2	173.5	-157.9	0	0	112	S7 T15	S7-E11 WeakPolarHBondContact O-CB 3.23Å; S7-E11 PolarHBondContact O-N 2.79Å; E11-T15 WeakPolarHBondContact O-CB 3.36Å; E11-T15 PolarHBondContact O-N 3.15Å; E11-T15 PolarHBondContact O-OG1 2.91Å
12	A	58.1	Low	58.1	Low	23 Å²	23	91.2 Å²	91.2	19%	0.19	47%	0.465	C	S	.	.	H	α-helix	trans	-72.1	-34.8	176.1	0	0	0	0	0	113	N8 E10 L16	N8-A12 VanDerWaalsContact O-CB 3.26Å; N8-A12 WeakPolarHBondContact O-CB 3.4Å; N8-A12 PolarHBondContact O-N 2.93Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 2.85Å; A12-L16 WeakPolarHBondContact O-CB 3.47Å; A12-L16 PolarHBondContact O-N 3.36Å; A12-L16 VanDerWaalsContact O-N 3.08Å
13	L	57.5	Low	60	Low	54 Å²	54	90.9 Å²	90.9	28%	0.283	46%	0.455	S	S	.	.	H	α-helix	trans	-67.8	-39.2	175.5	-161.5	74	0	0	0	110.9	E9 E10 L16 A17 L93	E9-L13 WeakPolarHBondContact O-CB 3.49Å; E9-L13 PolarHBondContact O-N 2.88Å; E10-L13 PolarHBondContact O-N 3.37Å; L13-L16 PolarHBondContact O-N 2.86Å; L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.02Å; L13-L93 HydrophobicContact CD1-CD2 3.97Å; L13-L93 HydrophobicContact CD2-CD2 3.84Å; L13-L93 HydrophobicContact CG-CD2 3.9Å
14	E	63.7	Low	62.2	Low	133 Å²	133	86.9 Å²	86.9	62%	0.621	42%	0.424	S	S	*	.	H	α-helix	trans	-66.3	-42.6	175.5	-168.7	163.7	-147.6	0	0	111.9	E10 L16 A17 F18	E10-E14 WeakPolarHBondContact O-CB 3.44Å; E10-E14 PolarHBondContact O-N 2.94Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.9Å; E14-A17 PolarHBondContact O-N 3.25Å; E14-F18 WeakPolarHBondContact O-CB 3.31Å; E14-F18 PolarHBondContact O-N 2.87Å
15	T	67.9	Low	64.5	Low	76 Å²	76	78.9 Å²	78.9	47%	0.466	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-42.8	174.6	-55.2	0	0	0	0	111.5	E11 F18 E19	E11-T15 WeakPolarHBondContact O-CB 3.36Å; E11-T15 PolarHBondContact O-N 3.15Å; E11-T15 PolarHBondContact O-OG1 2.91Å; T15-F18 WeakPolarHBondContact O-CB 3.4Å; T15-F18 PolarHBondContact O-N 3.25Å; T15-E19 PolarHBondContact O-N 3.32Å
16	L	65.4	Low	66.7	Low	38 Å²	38	76.3 Å²	76.3	20%	0.199	38%	0.382	C	S	.	.	H	α-helix	trans	-73.6	-34.7	-178.3	-169.8	57.3	0	0	0	112.5	A12 L13 E14 F18 T20 I96	A12-L16 WeakPolarHBondContact O-CB 3.47Å; A12-L16 PolarHBondContact O-N 3.36Å; A12-L16 VanDerWaalsContact O-N 3.08Å; L13-L16 PolarHBondContact O-N 2.86Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.9Å; L16-F18 VanDerWaalsContact C-N 3.32Å; L16-T20 WeakPolarHBondContact O-CB 3.48Å; L16-T20 PolarHBondContact O-N 3.43Å; L16-T20 PolarHBondContact O-OG1 3.41Å; L16-I96 HydrophobicContact CB-CG2 4.23Å; L16-I96 HydrophobicContact CD2-CB 4.48Å; L16-I96 HydrophobicContact CD2-CG2 3.12Å; L16-I96 HydrophobicContact CG-CG2 3.39Å
17	A	67.5	Low	68.8	Low	20 Å²	20	73.7 Å²	73.7	17%	0.165	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-40.2	170.1	0	0	0	0	0	111.3	L13 E14 T20 A21	L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.02Å; E14-A17 PolarHBondContact O-N 3.25Å; A17-T20 PolarHBondContact O-N 3.32Å; A17-A21 WeakPolarHBondContact O-CB 3.37Å; A17-A21 PolarHBondContact O-N 3.31Å
18	F	74.6	Confident	70.9	Confident	103 Å²	103	71 Å²	71	45%	0.452	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-48.3	176.4	-171.6	-82.4	0	0	0	112.3	E14 T15 L16 T20 A21 R22 I78	E14-F18 WeakPolarHBondContact O-CB 3.31Å; E14-F18 PolarHBondContact O-N 2.87Å; T15-F18 WeakPolarHBondContact O-CB 3.4Å; T15-F18 PolarHBondContact O-N 3.25Å; L16-F18 VanDerWaalsContact C-N 3.32Å; F18-T20 VanDerWaalsContact C-N 3.29Å; F18-T20 PolarHBondContact O-N 2.86Å; F18-A21 PolarHBondContact O-N 2.92Å; F18-R22 WeakPolarHBondContact O-CB 3.29Å; F18-R22 PolarHBondContact O-N 2.89Å; F18-I78 HydrophobicContact CD2-CD1 4.5Å; F18-I78 HydrophobicContact CD2-CG2 3.37Å; F18-I78 HydrophobicContact CE1-CD1 4.28Å; F18-I78 HydrophobicContact CE2-CD1 4.02Å; F18-I78 HydrophobicContact CE2-CG2 3.47Å; F18-I78 VanDerWaalsContact CE2-CG2 3.47Å; F18-I78 HydrophobicContact CG-CG2 4.23Å; F18-I78 HydrophobicContact CZ-CD1 3.88Å; F18-I78 HydrophobicContact CZ-CG2 4.37Å
19	E	73.5	Confident	72.6	Confident	114 Å²	114	66.7 Å²	66.7	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-39.5	176.2	-74.6	-174.2	173	0	0	112.1	T15 R22 Y23	T15-E19 PolarHBondContact O-N 3.32Å; E19-R22 PolarHBondContact O-N 2.78Å; E19-Y23 PolarHBondContact O-N 3.25Å
20	T	73.2	Confident	74.1	Confident	24 Å²	24	66.9 Å²	66.9	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-44.8	178.8	-57.4	0	0	0	0	111.4	L16 A17 F18 R22 Y23 F24 F81 I96	L16-T20 WeakPolarHBondContact O-CB 3.48Å; L16-T20 PolarHBondContact O-N 3.43Å; L16-T20 PolarHBondContact O-OG1 3.41Å; A17-T20 PolarHBondContact O-N 3.32Å; F18-T20 VanDerWaalsContact C-N 3.29Å; F18-T20 PolarHBondContact O-N 2.86Å; T20-R22 VanDerWaalsContact C-N 3.32Å; T20-R22 PolarHBondContact O-N 2.85Å; T20-Y23 PolarHBondContact O-N 3.41Å; T20-F24 HydrophobicContact CG2-CD2 3.81Å; T20-F24 HydrophobicContact CG2-CE2 3.41Å; T20-F24 VanDerWaalsContact CG2-CE2 3.41Å; T20-F24 HydrophobicContact CG2-CZ 4.28Å; T20-F24 VanDerWaalsContact O-CD2 3.27Å; T20-F24 WeakPolarHBondContact O-CD2 3.4Å; T20-F24 PolarHBondContact O-N 3.41Å; T20-F81 HydrophobicContact CG2-CE1 4.41Å; T20-F81 HydrophobicContact CG2-CZ 4.37Å; T20-I96 HydrophobicContact CG2-CD1 4.49Å
21	A	80.6	Confident	75.4	Confident	1 Å²	1	66 Å²	66	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-44.1	175.3	0	0	0	0	0	111.4	A17 F18 Y23 F24 F25 F77 I78 F81	A17-A21 WeakPolarHBondContact O-CB 3.37Å; A17-A21 PolarHBondContact O-N 3.31Å; F18-A21 PolarHBondContact O-N 2.92Å; A21-Y23 VanDerWaalsContact C-N 3.33Å; A21-Y23 PolarHBondContact O-N 2.94Å; A21-F24 PolarHBondContact O-N 3.24Å; A21-F25 PolarHBondContact O-N 3.42Å; A21-F77 HydrophobicContact CB-CD1 4.4Å; A21-F77 HydrophobicContact CB-CE1 4.26Å; A21-F77 WeakPolarHBondContact O-CE1 3.36Å; A21-I78 HydrophobicContact CB-CB 4.48Å; A21-I78 HydrophobicContact CB-CG1 3.93Å; A21-F81 HydrophobicContact CB-CB 3.96Å; A21-F81 HydrophobicContact CB-CD1 3.55Å; A21-F81 HydrophobicContact CB-CD2 4.49Å; A21-F81 HydrophobicContact CB-CE1 4.14Å; A21-F81 HydrophobicContact CB-CG 3.75Å
22	R	84	Confident	76.5	Confident	139 Å²	139	65.3 Å²	65.3	53%	0.525	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-40.7	177.8	-163.5	179.1	-176.3	157.6	2.1	112.2	F18 E19 T20 F25 N26 M74	F18-R22 WeakPolarHBondContact O-CB 3.29Å; F18-R22 PolarHBondContact O-N 2.89Å; E19-R22 PolarHBondContact O-N 2.78Å; T20-R22 VanDerWaalsContact C-N 3.32Å; T20-R22 PolarHBondContact O-N 2.85Å; R22-F25 PolarHBondContact O-N 3.17Å; R22-N26 VanDerWaalsContact O-CG 3.28Å; R22-N26 PolarHBondContact O-N 2.86Å; R22-N26 VanDerWaalsContact O-N 3.14Å; R22-M74 HydrophobicContact CB-CE 4.46Å; R22-M74 HydrophobicContact CG-CE 3.55Å; R22-M74 HydrophobicContact CG-SD 4.14Å
23	Y	82.1	Confident	77.9	Confident	130 Å²	130	67.5 Å²	67.5	51%	0.51	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-45.9	175.7	178.3	-107.4	0	0	0	111.9	E19 T20 A21 F25 N26 V27 M49	E19-Y23 PolarHBondContact O-N 3.25Å; T20-Y23 PolarHBondContact O-N 3.41Å; A21-Y23 VanDerWaalsContact C-N 3.33Å; A21-Y23 PolarHBondContact O-N 2.94Å; Y23-F25 VanDerWaalsContact C-N 3.35Å; Y23-F25 PolarHBondContact O-N 2.91Å; Y23-N26 PolarHBondContact O-N 3.46Å; Y23-V27 HydrophobicContact CD1-CG2 4.48Å; Y23-V27 HydrophobicContact CE1-CG2 4.18Å; Y23-V27 HydrophobicContact CE2-CG2 4.19Å; Y23-V27 WeakPolarHBondContact O-CG2 3.18Å; Y23-V27 PolarHBondContact O-N 3.43Å; Y23-V27 VanDerWaalsContact O-N 3.12Å; Y23-M49 HydrophobicContact CD1-CE 3.8Å; Y23-M49 HydrophobicContact CE1-CE 3.23Å; Y23-M49 HydrophobicContact CE1-SD 3.74Å
24	F	83.6	Confident	79.3	Confident	27 Å²	27	67 Å²	67	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-42.3	176.5	-75.6	-51.6	0	0	0	112.5	T20 A21 N26 V27 C28 L44 M49 F77 F81	T20-F24 HydrophobicContact CG2-CD2 3.81Å; T20-F24 HydrophobicContact CG2-CE2 3.41Å; T20-F24 VanDerWaalsContact CG2-CE2 3.41Å; T20-F24 HydrophobicContact CG2-CZ 4.28Å; T20-F24 VanDerWaalsContact O-CD2 3.27Å; T20-F24 WeakPolarHBondContact O-CD2 3.4Å; T20-F24 PolarHBondContact O-N 3.41Å; A21-F24 PolarHBondContact O-N 3.24Å; F24-N26 VanDerWaalsContact C-N 3.35Å; F24-N26 PolarHBondContact O-N 2.88Å; F24-V27 PolarHBondContact O-N 2.89Å; F24-C28 PolarHBondContact O-N 3.16Å; F24-C28 VanDerWaalsContact O-N 3.11Å; F24-C28 PolarHBondContact O-SG 3.06Å; F24-C28 VanDerWaalsContact O-SG 3.35Å; F24-L44 HydrophobicContact CB-CD2 4.31Å; F24-L44 HydrophobicContact CD1-CD2 3.6Å; F24-L44 HydrophobicContact CE1-CD2 4.36Å; F24-L44 HydrophobicContact CG-CD2 4.33Å; F24-M49 HydrophobicContact CD1-CE 3.49Å; F24-M49 VanDerWaalsContact CD1-CE 3.49Å; F24-M49 HydrophobicContact CD1-SD 4.45Å; F24-M49 HydrophobicContact CE1-CB 4.06Å; F24-M49 HydrophobicContact CE1-CE 3.61Å; F24-M49 HydrophobicContact CE1-SD 3.97Å; F24-F77 HydrophobicContact CB-CE1 4.14Å; F24-F77 HydrophobicContact CB-CZ 4.2Å; F24-F81 AromaticContact CD2-CE2 3.79Å; F24-F81 HydrophobicContact CD2-CE2 3.79Å; F24-F81 AromaticContact CD2-CZ 3.65Å; F24-F81 HydrophobicContact CD2-CZ 3.65Å; F24-F81 HydrophobicContact CE2-CE2 4.15Å; F24-F81 AromaticContact CE2-CZ 3.74Å; F24-F81 HydrophobicContact CE2-CZ 3.74Å
25	F	87.6	Confident	80.6	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.022	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-47.9	177.1	-171.3	-82.9	0	0	0	111.6	A21 R22 Y23 V27 C28 D29 L36 M74 F77	A21-F25 PolarHBondContact O-N 3.42Å; R22-F25 PolarHBondContact O-N 3.17Å; Y23-F25 VanDerWaalsContact C-N 3.35Å; Y23-F25 PolarHBondContact O-N 2.91Å; F25-V27 VanDerWaalsContact C-N 3.26Å; F25-V27 PolarHBondContact O-N 3.22Å; F25-C28 PolarHBondContact O-N 2.82Å; F25-C28 VanDerWaalsContact O-N 3.13Å; F25-D29 HydrophobicContact CD1-CB 4.28Å; F25-D29 HydrophobicContact CE1-CB 4.03Å; F25-D29 WeakPolarHBondContact O-CB 3.27Å; F25-D29 PolarHBondContact O-N 3.05Å; F25-L36 HydrophobicContact CD2-CD1 3.6Å; F25-L36 HydrophobicContact CD2-CG 3.84Å; F25-L36 HydrophobicContact CE2-CD1 3.84Å; F25-L36 HydrophobicContact CE2-CD2 4.32Å; F25-L36 HydrophobicContact CE2-CG 3.56Å; F25-L36 HydrophobicContact CG-CD1 4.26Å; F25-L36 HydrophobicContact CZ-CD2 4.36Å; F25-L36 HydrophobicContact CZ-CG 4.01Å; F25-M74 HydrophobicContact CB-CE 3.85Å; F25-M74 HydrophobicContact CB-SD 3.55Å; F25-M74 VanDerWaalsContact CB-SD 3.55Å; F25-M74 HydrophobicContact CD1-CB 4.32Å; F25-M74 HydrophobicContact CD1-CE 3.45Å; F25-M74 VanDerWaalsContact CD1-CE 3.45Å; F25-M74 HydrophobicContact CD1-SD 3.72Å; F25-M74 HydrophobicContact CD2-CB 4.34Å; F25-M74 HydrophobicContact CD2-SD 4Å; F25-M74 HydrophobicContact CE1-CB 4.08Å; F25-M74 HydrophobicContact CE1-CE 4.22Å; F25-M74 HydrophobicContact CE1-SD 4.43Å; F25-M74 VanDerWaalsContact CE2-CA 3.41Å; F25-M74 HydrophobicContact CE2-CB 4.08Å; F25-M74 VanDerWaalsContact CE2-N 3.31Å; F25-M74 HydrophobicContact CG-CB 4.44Å; F25-M74 HydrophobicContact CG-CE 3.78Å; F25-M74 HydrophobicContact CG-SD 3.46Å; F25-M74 WeakPolarHBondContact CG-SD 3.35Å; F25-M74 HydrophobicContact CZ-CB 3.95Å; F25-F77 HydrophobicContact CB-CD1 4.09Å; F25-F77 HydrophobicContact CB-CE1 4.4Å; F25-F77 HydrophobicContact CD2-CB 3.77Å; F25-F77 HydrophobicContact CD2-CD1 4.1Å; F25-F77 AromaticContact CD2-CG 3.91Å; F25-F77 HydrophobicContact CD2-CG 3.91Å; F25-F77 HydrophobicContact CE2-CB 4.21Å
26	N	84.7	Confident	81.6	Confident	92 Å²	92	60.8 Å²	60.8	49%	0.492	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-31	179.7	-70.4	-9.3	0	0	0	113.1	R22 Y23 F24 M74	R22-N26 VanDerWaalsContact O-CG 3.28Å; R22-N26 PolarHBondContact O-N 2.86Å; R22-N26 VanDerWaalsContact O-N 3.14Å; Y23-N26 PolarHBondContact O-N 3.46Å; F24-N26 VanDerWaalsContact C-N 3.35Å; F24-N26 PolarHBondContact O-N 2.88Å; N26-M74 WeakPolarHBondContact OD1-CE 3.37Å
27	V	84	Confident	82.8	Confident	28 Å²	28	60.2 Å²	60.2	17%	0.17	31%	0.306	C	S	.	.	H	α-helix	trans	-72.1	-34	176.7	172.1	0	0	0	0	111.3	Y23 F24 F25 L44 N47 M49	Y23-V27 HydrophobicContact CD1-CG2 4.48Å; Y23-V27 HydrophobicContact CE1-CG2 4.18Å; Y23-V27 HydrophobicContact CE2-CG2 4.19Å; Y23-V27 WeakPolarHBondContact O-CG2 3.18Å; Y23-V27 PolarHBondContact O-N 3.43Å; Y23-V27 VanDerWaalsContact O-N 3.12Å; F24-V27 PolarHBondContact O-N 2.89Å; F25-V27 VanDerWaalsContact C-N 3.26Å; F25-V27 PolarHBondContact O-N 3.22Å; V27-L44 HydrophobicContact CG1-CD2 4.44Å; V27-N47 HydrophobicContact CG1-CB 4.44Å; V27-N47 WeakPolarHBondContact CG1-ND2 3.42Å; V27-M49 HydrophobicContact CB-CE 3.92Å; V27-M49 HydrophobicContact CG1-CE 3.82Å; V27-M49 HydrophobicContact CG2-CE 3.52Å
28	C	85.2	Confident	83.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-76.3	-35.7	174.4	-62.7	0	0	0	0	112	F24 F25 D30 L36 R43 L44	F24-C28 PolarHBondContact O-N 3.16Å; F24-C28 VanDerWaalsContact O-N 3.11Å; F24-C28 PolarHBondContact O-SG 3.06Å; F24-C28 VanDerWaalsContact O-SG 3.35Å; F25-C28 PolarHBondContact O-N 2.82Å; F25-C28 VanDerWaalsContact O-N 3.13Å; C28-D30 VanDerWaalsContact C-N 3.31Å; C28-D30 PolarHBondContact O-N 2.91Å; C28-L36 HydrophobicContact CB-CD1 3.66Å; C28-L36 HydrophobicContact CB-CD2 3.36Å; C28-L36 HydrophobicContact CB-CG 4.13Å; C28-R43 WeakPolarHBondContact O-CD 3.49Å; C28-R43 PolarHBondContact O-NH1 3.44Å; C28-L44 VanDerWaalsContact SG-CD2 3.55Å; C28-L44 WeakPolarHBondContact SG-CG 3.34Å
29	D	87.7	Confident	84.3	Confident	15 Å²	15	62 Å²	62	8%	0.08	32%	0.32	C	S	.	.			trans	-90.1	53.4	-178.7	-165.5	19.7	0	0	0	113.3	F25 E31 S32 K33 G34 L36	F25-D29 HydrophobicContact CD1-CB 4.28Å; F25-D29 HydrophobicContact CE1-CB 4.03Å; F25-D29 WeakPolarHBondContact O-CB 3.27Å; F25-D29 PolarHBondContact O-N 3.05Å; D29-E31 PolarHBondContact O-N 3.39Å; D29-S32 PolarHBondContact O-N 3.27Å; D29-S32 PolarHBondContact OD1-N 3.47Å; D29-S32 WeakPolarHBondContact OD2-CA 3.45Å; D29-K33 VanDerWaalsContact CG-N 3.29Å; D29-K33 WeakPolarHBondContact OD1-CB 3.32Å; D29-K33 PolarHBondContact OD1-N 2.9Å; D29-K33 PolarHBondContact OD2-N 3.47Å; D29-K33 VanDerWaalsContact OD2-N 3.08Å; D29-G34 PolarHBondContact OD2-N 2.86Å; D29-L36 HydrophobicContact CB-CD2 3.79Å
30	D	81.3	Confident	85	Confident	127 Å²	127	56.8 Å²	56.8	68%	0.679	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.5	177.2	-172	47	0	0	0	113.2	C28	C28-D30 VanDerWaalsContact C-N 3.31Å; C28-D30 PolarHBondContact O-N 2.91Å
31	E	82.3	Confident	85.5	Confident	115 Å²	115	55.9 Å²	55.9	54%	0.537	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	0.8	-179	-75.5	167	-125	0	0	113.4	D29 K33 R43	D29-E31 PolarHBondContact O-N 3.39Å; E31-K33 HydrophobicContact CB-CD 4.36Å; E31-K33 HydrophobicContact CB-CG 3.91Å; E31-K33 PolarHBondContact O-N 3.36Å; E31-K33 IonicContact OE1-NZ 2.73Å; E31-K33 WeakPolarHBondContact OE2-CE 3.45Å; E31-K33 IonicContact OE2-NZ 3.81Å; E31-K33 PolarHBondContact OE2-NZ 3.44Å; E31-R43 IonicContact OE1-CZ 3.33Å; E31-R43 IonicContact OE1-NH2 3.71Å; E31-R43 PolarHBondContact OE1-NH2 2.91Å
32	S	82.9	Confident	85.5	Confident	107 Å²	107	57.9 Å²	57.9	75%	0.748	30%	0.304	S	S	*	.			trans	53.7	39.4	-177	-55.3	0	0	0	0	113.4	D29 G34	D29-S32 PolarHBondContact O-N 3.27Å; D29-S32 PolarHBondContact OD1-N 3.47Å; D29-S32 WeakPolarHBondContact OD2-CA 3.45Å; S32-G34 PolarHBondContact O-N 2.88Å
33	K	86.8	Confident	85.4	Confident	69 Å²	69	53.4 Å²	53.4	30%	0.3	29%	0.287	S	S	.	.			trans	-67.4	-25.5	177.8	-63.3	172.6	-174.9	162.3	0	112.2	D29 E31 Y35 D40	D29-K33 VanDerWaalsContact CG-N 3.29Å; D29-K33 WeakPolarHBondContact OD1-CB 3.32Å; D29-K33 PolarHBondContact OD1-N 2.9Å; D29-K33 PolarHBondContact OD2-N 3.47Å; D29-K33 VanDerWaalsContact OD2-N 3.08Å; E31-K33 HydrophobicContact CB-CD 4.36Å; E31-K33 HydrophobicContact CB-CG 3.91Å; E31-K33 PolarHBondContact O-N 3.36Å; E31-K33 IonicContact OE1-NZ 2.73Å; E31-K33 WeakPolarHBondContact OE2-CE 3.45Å; E31-K33 IonicContact OE2-NZ 3.81Å; E31-K33 PolarHBondContact OE2-NZ 3.44Å; K33-Y35 HydrophobicContact CB-CD1 4.07Å; K33-Y35 HydrophobicContact CB-CE1 3.97Å; K33-Y35 HydrophobicContact CD-CE2 4.49Å; K33-Y35 WeakPolarHBondContact O-CD1 3.33Å; K33-Y35 PolarHBondContact O-N 2.91Å; K33-D40 IonicContact NZ-OD1 3.95Å; K33-D40 PolarHBondContact NZ-OD1 3.24Å; K33-D40 IonicContact NZ-OD2 3.25Å
34	G	86.9	Confident	85	Confident	43 Å²	43	47.7 Å²	47.7	44%	0.443	27%	0.265	S	S	.	.	S	Bend	trans	78.3	3	-172.3	0	0	0	0	0	114.1	D29 S32	D29-G34 PolarHBondContact OD2-N 2.86Å; S32-G34 PolarHBondContact O-N 2.88Å
35	Y	91.2	Very high	84.5	Confident	80 Å²	80	48.9 Å²	48.9	31%	0.314	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.5	173.8	66.5	-91.5	0	0	0	110.8	K33 K71 L72	K33-Y35 HydrophobicContact CB-CD1 4.07Å; K33-Y35 HydrophobicContact CB-CE1 3.97Å; K33-Y35 HydrophobicContact CD-CE2 4.49Å; K33-Y35 WeakPolarHBondContact O-CD1 3.33Å; K33-Y35 PolarHBondContact O-N 2.91Å; Y35-K71 HydrophobicContact CD1-CD 4.42Å; Y35-K71 HydrophobicContact CD2-CB 3.82Å; Y35-K71 HydrophobicContact CD2-CD 3.73Å; Y35-K71 HydrophobicContact CD2-CG 3.67Å; Y35-K71 HydrophobicContact CE1-CD 4.45Å; Y35-K71 HydrophobicContact CE2-CD 3.79Å; Y35-K71 HydrophobicContact CE2-CG 3.91Å; Y35-K71 HydrophobicContact CG-CB 4.19Å; Y35-K71 HydrophobicContact CG-CD 4.07Å; Y35-K71 HydrophobicContact CG-CG 4.33Å; Y35-L72 CarbonylContact C-O 3.46Å; Y35-L72 VanDerWaalsContact CA-O 3.23Å; Y35-L72 WeakPolarHBondContact CA-O 3.37Å
36	L	89.3	Confident	83.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.7	174.3	-55.7	-178.9	0	0	0	110.3	F25 C28 D29 D40 F61 K71 L72 F77	F25-L36 HydrophobicContact CD2-CD1 3.6Å; F25-L36 HydrophobicContact CD2-CG 3.84Å; F25-L36 HydrophobicContact CE2-CD1 3.84Å; F25-L36 HydrophobicContact CE2-CD2 4.32Å; F25-L36 HydrophobicContact CE2-CG 3.56Å; F25-L36 HydrophobicContact CG-CD1 4.26Å; F25-L36 HydrophobicContact CZ-CD2 4.36Å; F25-L36 HydrophobicContact CZ-CG 4.01Å; C28-L36 HydrophobicContact CB-CD1 3.66Å; C28-L36 HydrophobicContact CB-CD2 3.36Å; C28-L36 HydrophobicContact CB-CG 4.13Å; D29-L36 HydrophobicContact CB-CD2 3.79Å; L36-D40 HydrophobicContact CB-CB 4.32Å; L36-D40 HydrophobicContact CD2-CB 4.09Å; L36-F61 VanDerWaalsContact O-CE2 3.3Å; L36-F61 WeakPolarHBondContact O-CE2 3.07Å; L36-K71 WeakPolarHBondContact O-CA 3.49Å; L36-L72 HydrophobicContact CB-CB 4.33Å; L36-L72 PolarHBondContact N-O 3.27Å; L36-L72 PolarHBondContact O-N 2.93Å; L36-F77 HydrophobicContact CD1-CD2 4.26Å; L36-F77 HydrophobicContact CD1-CE2 4.47Å
37	S	90.6	Very high	83	Confident	25 Å²	25	56.8 Å²	56.8	18%	0.175	31%	0.307	C	S	.	.			trans	-94.4	169	162.8	65.6	0	0	0	0	111.1	S39 D40 M41	S37-S39 PolarHBondContact O-N 3.21Å; S37-S39 PolarHBondContact OG-OG 3.49Å; S37-D40 WeakPolarHBondContact CB-OD2 3.34Å; S37-D40 PolarHBondContact N-OD2 3.47Å; S37-D40 WeakPolarHBondContact O-CB 3.49Å; S37-D40 PolarHBondContact O-N 3.45Å; S37-D40 PolarHBondContact OG-N 3.33Å; S37-D40 PolarHBondContact OG-OD2 3.46Å; S37-M41 PolarHBondContact O-N 2.89Å
38	K	87.6	Confident	82.2	Confident	76 Å²	76	62.7 Å²	62.7	33%	0.33	34%	0.338	S	S	.	.	H	α-helix	trans	-48.9	-43	171.9	-71.1	-174.3	168	-155.6	0	112.5	D40 M41 E58 F61 D62	K38-D40 VanDerWaalsContact C-N 3.34Å; K38-D40 PolarHBondContact O-N 3.31Å; K38-M41 PolarHBondContact O-N 2.88Å; K38-E58 HydrophobicContact CD-CG 3.99Å; K38-E58 WeakPolarHBondContact CD-OE1 3.12Å; K38-E58 IonicContact NZ-OE1 2.62Å; K38-E58 PolarHBondContact NZ-OE1 2.95Å; K38-F61 HydrophobicContact CD-CD1 4.33Å; K38-F61 HydrophobicContact CG-CB 4.32Å; K38-F61 HydrophobicContact CG-CD1 3.5Å; K38-F61 VanDerWaalsContact CG-CD1 3.5Å; K38-F61 HydrophobicContact CG-CD2 4.11Å; K38-F61 HydrophobicContact CG-CE1 3.79Å; K38-F61 HydrophobicContact CG-CE2 4.38Å; K38-F61 HydrophobicContact CG-CG 3.69Å; K38-F61 HydrophobicContact CG-CZ 4.24Å; K38-D62 WeakPolarHBondContact CE-OD1 3.35Å; K38-D62 IonicContact NZ-OD1 2.68Å; K38-D62 PolarHBondContact NZ-OD1 3.49Å; K38-D62 IonicContact NZ-OD2 3.1Å; K38-D62 PolarHBondContact NZ-OD2 2.93Å
39	S	86.5	Confident	81.2	Confident	85 Å²	85	65 Å²	65	59%	0.594	35%	0.349	S	S	*	.	H	α-helix	trans	-68	-29.7	177.2	43.3	0	0	0	0	114.2	S37	S37-S39 PolarHBondContact O-N 3.21Å; S37-S39 PolarHBondContact OG-OG 3.49Å
40	D	88.2	Confident	80.2	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.027	36%	0.355	C	S	.	.	H	α-helix	trans	-73	-35.4	178.6	-59.9	-52.7	0	0	0	110.8	K33 L36 S37 K38 C42 R43	K33-D40 IonicContact NZ-OD1 3.95Å; K33-D40 PolarHBondContact NZ-OD1 3.24Å; K33-D40 IonicContact NZ-OD2 3.25Å; L36-D40 HydrophobicContact CB-CB 4.32Å; L36-D40 HydrophobicContact CD2-CB 4.09Å; S37-D40 WeakPolarHBondContact CB-OD2 3.34Å; S37-D40 PolarHBondContact N-OD2 3.47Å; S37-D40 WeakPolarHBondContact O-CB 3.49Å; S37-D40 PolarHBondContact O-N 3.45Å; S37-D40 PolarHBondContact OG-N 3.33Å; S37-D40 PolarHBondContact OG-OD2 3.46Å; K38-D40 VanDerWaalsContact C-N 3.34Å; K38-D40 PolarHBondContact O-N 3.31Å; D40-C42 PolarHBondContact O-N 3.18Å; D40-R43 VanDerWaalsContact O-CB 3.26Å; D40-R43 WeakPolarHBondContact O-CB 3.3Å; D40-R43 WeakPolarHBondContact O-CG 3.47Å; D40-R43 PolarHBondContact O-N 3.03Å; D40-R43 IonicContact OD1-CZ 3.72Å; D40-R43 IonicContact OD1-NH1 2.63Å
41	M	82.1	Confident	79.4	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.02	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-31.6	175.7	-80.7	-162.2	78.6	0	0	113.1	S37 K38 R43 L44 L57 V60 F61 L72 F77	S37-M41 PolarHBondContact O-N 2.89Å; K38-M41 PolarHBondContact O-N 2.88Å; M41-R43 PolarHBondContact O-N 3.22Å; M41-L44 PolarHBondContact O-N 2.86Å; M41-L44 VanDerWaalsContact O-N 3.09Å; M41-L57 HydrophobicContact CE-CD2 4.05Å; M41-V60 HydrophobicContact CE-CB 4.18Å; M41-V60 HydrophobicContact CE-CG1 3.91Å; M41-F61 HydrophobicContact CG-CD2 3.98Å; M41-F61 HydrophobicContact SD-CB 3.68Å; M41-F61 HydrophobicContact SD-CD2 3.59Å; M41-F61 VanDerWaalsContact SD-CD2 3.59Å; M41-F61 HydrophobicContact SD-CG 4.12Å; M41-L72 HydrophobicContact SD-CD1 4.25Å; M41-F77 HydrophobicContact CE-CE2 4.2Å
42	C	81.8	Confident	79	Confident	44 Å²	44	63.6 Å²	63.6	30%	0.297	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.8	175.2	-67.9	0	0	0	0	113.7	D40 L44 L45 K46	D40-C42 PolarHBondContact O-N 3.18Å; C42-L44 VanDerWaalsContact C-N 3.25Å; C42-L44 PolarHBondContact O-N 3.28Å; C42-L45 WeakPolarHBondContact O-CB 3.35Å; C42-L45 PolarHBondContact O-N 2.87Å; C42-K46 PolarHBondContact O-N 2.92Å
43	R	80.7	Confident	78.6	Confident	44 Å²	44	61 Å²	61	17%	0.166	33%	0.329	C	S	.	.	H	α-helix	trans	-68.7	-22.5	172.7	-68.8	173	173.3	170.1	-4.1	112.7	C28 E31 D40 M41 L45 K46 N47	C28-R43 WeakPolarHBondContact O-CD 3.49Å; C28-R43 PolarHBondContact O-NH1 3.44Å; E31-R43 IonicContact OE1-CZ 3.33Å; E31-R43 IonicContact OE1-NH2 3.71Å; E31-R43 PolarHBondContact OE1-NH2 2.91Å; D40-R43 VanDerWaalsContact O-CB 3.26Å; D40-R43 WeakPolarHBondContact O-CB 3.3Å; D40-R43 WeakPolarHBondContact O-CG 3.47Å; D40-R43 PolarHBondContact O-N 3.03Å; D40-R43 IonicContact OD1-CZ 3.72Å; D40-R43 IonicContact OD1-NH1 2.63Å; M41-R43 PolarHBondContact O-N 3.22Å; R43-L45 PolarHBondContact O-N 2.61Å; R43-K46 PolarHBondContact O-N 3.14Å; R43-N47 PolarHBondContact O-N 3.02Å; R43-N47 PolarHBondContact O-ND2 3.45Å
44	L	73.6	Confident	78.2	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-34.7	171.3	-63.6	175.5	0	0	0	111.9	F24 V27 C28 M41 C42 M49 L57	F24-L44 HydrophobicContact CB-CD2 4.31Å; F24-L44 HydrophobicContact CD1-CD2 3.6Å; F24-L44 HydrophobicContact CE1-CD2 4.36Å; F24-L44 HydrophobicContact CG-CD2 4.33Å; V27-L44 HydrophobicContact CG1-CD2 4.44Å; C28-L44 VanDerWaalsContact SG-CD2 3.55Å; C28-L44 WeakPolarHBondContact SG-CG 3.34Å; M41-L44 PolarHBondContact O-N 2.86Å; M41-L44 VanDerWaalsContact O-N 3.09Å; C42-L44 VanDerWaalsContact C-N 3.25Å; C42-L44 PolarHBondContact O-N 3.28Å; L44-M49 HydrophobicContact CD2-CB 4.2Å; L44-M49 HydrophobicContact CD2-CE 4.47Å; L44-M49 PolarHBondContact O-N 2.86Å; L44-L57 HydrophobicContact CD1-CD2 4.3Å
45	L	72.6	Confident	77.8	Confident	52 Å²	52	63.6 Å²	63.6	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-41.2	173.5	-56.4	176.8	0	0	0	111.6	C42 R43 N47 D48 L52 A54 L57	C42-L45 WeakPolarHBondContact O-CB 3.35Å; C42-L45 PolarHBondContact O-N 2.87Å; R43-L45 PolarHBondContact O-N 2.61Å; L45-N47 PolarHBondContact O-N 3.14Å; L45-D48 PolarHBondContact O-N 2.95Å; L45-L52 WeakPolarHBondContact CD2-O 3.44Å; L45-A54 HydrophobicContact CD1-CB 4Å; L45-L57 HydrophobicContact CD1-CD1 3.84Å; L45-L57 HydrophobicContact CD2-CD1 3.57Å; L45-L57 HydrophobicContact CG-CD1 3.43Å; L45-L57 VanDerWaalsContact CG-CD1 3.43Å
46	K	71.2	Confident	77.1	Confident	170 Å²	170	63.6 Å²	63.6	74%	0.739	35%	0.345	S	S	*	.	H	α-helix	trans	-65.5	-25.7	-178.5	-70.9	-175.6	178.3	178	0	113.1	C42 R43	C42-K46 PolarHBondContact O-N 2.92Å; R43-K46 PolarHBondContact O-N 3.14Å
47	N	70.5	Confident	76.7	Confident	93 Å²	93	63.8 Å²	63.8	50%	0.497	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	12.7	-177.1	-69.5	-32.1	0	0	0	113.5	V27 R43 L45 M49	V27-N47 HydrophobicContact CG1-CB 4.44Å; V27-N47 WeakPolarHBondContact CG1-ND2 3.42Å; R43-N47 PolarHBondContact O-N 3.02Å; R43-N47 PolarHBondContact O-ND2 3.45Å; L45-N47 PolarHBondContact O-N 3.14Å; N47-M49 HydrophobicContact CB-CB 4.45Å; N47-M49 HydrophobicContact CB-CG 3.77Å; N47-M49 WeakPolarHBondContact O-CG 3.34Å; N47-M49 PolarHBondContact O-N 3.35Å; N47-M49 VanDerWaalsContact O-N 3.13Å
48	D	66.6	Low	76.3	Confident	153 Å²	153	66.7 Å²	66.7	82%	0.818	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	35.9	-176.2	-71.8	-26.9	0	0	0	113.1	L45	L45-D48 PolarHBondContact O-N 2.95Å
49	M	64.6	Low	76	Confident	48 Å²	48	69 Å²	69	24%	0.236	37%	0.37	C	S	.	.			trans	-94	-14	-171.6	-81.3	-97	-82.6	0	0	113.2	Y23 F24 V27 L44 N47	Y23-M49 HydrophobicContact CD1-CE 3.8Å; Y23-M49 HydrophobicContact CE1-CE 3.23Å; Y23-M49 HydrophobicContact CE1-SD 3.74Å; F24-M49 HydrophobicContact CD1-CE 3.49Å; F24-M49 VanDerWaalsContact CD1-CE 3.49Å; F24-M49 HydrophobicContact CD1-SD 4.45Å; F24-M49 HydrophobicContact CE1-CB 4.06Å; F24-M49 HydrophobicContact CE1-CE 3.61Å; F24-M49 HydrophobicContact CE1-SD 3.97Å; V27-M49 HydrophobicContact CB-CE 3.92Å; V27-M49 HydrophobicContact CG1-CE 3.82Å; V27-M49 HydrophobicContact CG2-CE 3.52Å; L44-M49 HydrophobicContact CD2-CB 4.2Å; L44-M49 HydrophobicContact CD2-CE 4.47Å; L44-M49 PolarHBondContact O-N 2.86Å; N47-M49 HydrophobicContact CB-CB 4.45Å; N47-M49 HydrophobicContact CB-CG 3.77Å; N47-M49 WeakPolarHBondContact O-CG 3.34Å; N47-M49 PolarHBondContact O-N 3.35Å; N47-M49 VanDerWaalsContact O-N 3.13Å
50	C	67	Low	75.7	Confident	30 Å²	30	65.4 Å²	65.4	20%	0.203	35%	0.345	C	S	.	.			trans	-150	151	172.7	64.3	0	0	0	0	111.3	L52	C50-L52 VanDerWaalsContact C-N 3.29Å; C50-L52 PolarHBondContact O-N 3.49Å
51	N	65.5	Low	75.6	Confident	168 Å²	168	65.2 Å²	65.2	90%	0.898	34%	0.344	S	S	*	.			trans	-90.7	17.1	178.1	-67.9	-11.3	0	0	0	113.5
52	L	72.8	Confident	75.8	Confident	30 Å²	30	68.6 Å²	68.6	16%	0.157	36%	0.362	C	S	.	.			trans	-79	152	178.5	-63.2	172.5	0	0	0	110.1	L45 C50 E56 L57 V60	L45-L52 WeakPolarHBondContact CD2-O 3.44Å; C50-L52 VanDerWaalsContact C-N 3.29Å; C50-L52 PolarHBondContact O-N 3.49Å; L52-E56 HydrophobicContact CB-CB 4.04Å; L52-E56 HydrophobicContact CD2-CB 4.11Å; L52-L57 HydrophobicContact CB-CD2 4.31Å; L52-L57 HydrophobicContact CB-CG 4.08Å; L52-L57 HydrophobicContact CD1-CD2 3.86Å; L52-L57 HydrophobicContact CD1-CG 4.45Å; L52-V60 HydrophobicContact CD1-CG2 4.27Å
53	S	75.6	Confident	75.9	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	37%	0.369	S	S	.	.			trans	-77.2	166.4	166.2	60.7	0	0	0	0	111.2	D55 E56 L57	S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 2.95Å; S53-E56 WeakPolarHBondContact CB-OE2 3.42Å; S53-E56 PolarHBondContact N-OE2 2.83Å; S53-E56 PolarHBondContact O-N 3.44Å; S53-E56 WeakPolarHBondContact OG-CB 3.33Å; S53-E56 VanDerWaalsContact OG-CD 3.31Å; S53-E56 VanDerWaalsContact OG-CG 3.26Å; S53-E56 WeakPolarHBondContact OG-CG 3.4Å; S53-E56 PolarHBondContact OG-N 2.91Å; S53-E56 PolarHBondContact OG-OE2 3.26Å; S53-L57 PolarHBondContact O-N 2.96Å
54	A	77.8	Confident	76.1	Confident	46 Å²	46	67.9 Å²	67.9	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-40.1	175.4	0	0	0	0	0	112	L45 E56 L57 E58	L45-A54 HydrophobicContact CD1-CB 4Å; A54-E56 VanDerWaalsContact C-N 3.34Å; A54-E56 PolarHBondContact O-N 3.46Å; A54-L57 PolarHBondContact O-N 3.39Å; A54-E58 PolarHBondContact O-N 3.49Å
55	D	77.4	Confident	76.8	Confident	120 Å²	120	67.7 Å²	67.7	64%	0.642	36%	0.363	S	S	*	.	H	α-helix	trans	-65.2	-39.2	177.7	-59.6	-17.3	0	0	0	111.1	S53 E58 M59	S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 2.95Å; D55-E58 PolarHBondContact O-N 2.95Å; D55-M59 WeakPolarHBondContact O-CG 3.49Å; D55-M59 PolarHBondContact O-N 3.43Å
56	E	77.8	Confident	77.3	Confident	80 Å²	80	71.7 Å²	71.7	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-40.7	174.7	-75.1	165.9	141.1	0	0	112	L52 S53 A54 E58 M59 V60	L52-E56 HydrophobicContact CB-CB 4.04Å; L52-E56 HydrophobicContact CD2-CB 4.11Å; S53-E56 WeakPolarHBondContact CB-OE2 3.42Å; S53-E56 PolarHBondContact N-OE2 2.83Å; S53-E56 PolarHBondContact O-N 3.44Å; S53-E56 WeakPolarHBondContact OG-CB 3.33Å; S53-E56 VanDerWaalsContact OG-CD 3.31Å; S53-E56 VanDerWaalsContact OG-CG 3.26Å; S53-E56 WeakPolarHBondContact OG-CG 3.4Å; S53-E56 PolarHBondContact OG-N 2.91Å; S53-E56 PolarHBondContact OG-OE2 3.26Å; A54-E56 VanDerWaalsContact C-N 3.34Å; A54-E56 PolarHBondContact O-N 3.46Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.33Å; E56-M59 HydrophobicContact CB-CE 4.28Å; E56-M59 HydrophobicContact CG-CE 3.82Å; E56-M59 WeakPolarHBondContact O-CB 3.31Å; E56-M59 PolarHBondContact O-N 3.07Å; E56-V60 VanDerWaalsContact O-CG2 3.27Å; E56-V60 WeakPolarHBondContact O-CG2 3.3Å; E56-V60 PolarHBondContact O-N 3.13Å
57	L	79.4	Confident	78.1	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-65.7	-34.4	175.3	-75.2	172.4	0	0	0	112.9	M41 L44 L45 L52 S53 A54 V60 F61	M41-L57 HydrophobicContact CE-CD2 4.05Å; L44-L57 HydrophobicContact CD1-CD2 4.3Å; L45-L57 HydrophobicContact CD1-CD1 3.84Å; L45-L57 HydrophobicContact CD2-CD1 3.57Å; L45-L57 HydrophobicContact CG-CD1 3.43Å; L45-L57 VanDerWaalsContact CG-CD1 3.43Å; L52-L57 HydrophobicContact CB-CD2 4.31Å; L52-L57 HydrophobicContact CB-CG 4.08Å; L52-L57 HydrophobicContact CD1-CD2 3.86Å; L52-L57 HydrophobicContact CD1-CG 4.45Å; S53-L57 PolarHBondContact O-N 2.96Å; A54-L57 PolarHBondContact O-N 3.39Å; L57-V60 PolarHBondContact O-N 2.9Å; L57-F61 PolarHBondContact O-N 2.93Å
58	E	82.9	Confident	78.8	Confident	87 Å²	87	70.7 Å²	70.7	41%	0.407	38%	0.377	S	S	.	.	H	α-helix	trans	-67	-39.5	174	-168	168.6	-171.3	0	0	111.4	K38 A54 D55 E56 V60 F61 D62	K38-E58 HydrophobicContact CD-CG 3.99Å; K38-E58 WeakPolarHBondContact CD-OE1 3.12Å; K38-E58 IonicContact NZ-OE1 2.62Å; K38-E58 PolarHBondContact NZ-OE1 2.95Å; A54-E58 PolarHBondContact O-N 3.49Å; D55-E58 PolarHBondContact O-N 2.95Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.33Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 3.22Å; E58-F61 WeakPolarHBondContact O-CB 3.27Å; E58-F61 PolarHBondContact O-N 3.29Å; E58-D62 PolarHBondContact O-N 3.33Å
59	M	80.4	Confident	79.8	Confident	123 Å²	123	67 Å²	67	61%	0.606	36%	0.358	S	S	*	.	H	α-helix	trans	-62.9	-38.8	171	-67.5	-169.2	-62.6	0	0	112.5	D55 E56 D62 S63	D55-M59 WeakPolarHBondContact O-CG 3.49Å; D55-M59 PolarHBondContact O-N 3.43Å; E56-M59 HydrophobicContact CB-CE 4.28Å; E56-M59 HydrophobicContact CG-CE 3.82Å; E56-M59 WeakPolarHBondContact O-CB 3.31Å; E56-M59 PolarHBondContact O-N 3.07Å; M59-D62 PolarHBondContact O-N 2.91Å; M59-S63 WeakPolarHBondContact O-CB 3.48Å; M59-S63 PolarHBondContact O-N 3.08Å
60	V	80.6	Confident	81	Confident	11 Å²	11	66.4 Å²	66.4	7%	0.067	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-47	173.6	-178.3	0	0	0	0	109.9	M41 L52 E56 L57 E58 D62 S63 L64 F84	M41-V60 HydrophobicContact CE-CB 4.18Å; M41-V60 HydrophobicContact CE-CG1 3.91Å; L52-V60 HydrophobicContact CD1-CG2 4.27Å; E56-V60 VanDerWaalsContact O-CG2 3.27Å; E56-V60 WeakPolarHBondContact O-CG2 3.3Å; E56-V60 PolarHBondContact O-N 3.13Å; L57-V60 PolarHBondContact O-N 2.9Å; E58-V60 VanDerWaalsContact C-N 3.34Å; E58-V60 PolarHBondContact O-N 3.22Å; V60-D62 PolarHBondContact O-N 2.93Å; V60-S63 PolarHBondContact O-N 3.05Å; V60-S63 PolarHBondContact O-OG 3.03Å; V60-L64 HydrophobicContact CG1-CD1 3.82Å; V60-L64 HydrophobicContact CG1-CG 4.33Å; V60-L64 VanDerWaalsContact O-CG 3.28Å; V60-L64 WeakPolarHBondContact O-CG 3.37Å; V60-L64 PolarHBondContact O-N 3.42Å; V60-L64 VanDerWaalsContact O-N 3.13Å; V60-F84 HydrophobicContact CB-CE2 4.35Å; V60-F84 HydrophobicContact CB-CZ 4.47Å; V60-F84 HydrophobicContact CG1-CD2 4.25Å; V60-F84 HydrophobicContact CG1-CE1 4.5Å; V60-F84 HydrophobicContact CG1-CE2 4.21Å; V60-F84 HydrophobicContact CG1-CG 4.43Å; V60-F84 HydrophobicContact CG1-CZ 4.34Å; V60-F84 HydrophobicContact CG2-CD2 4.27Å; V60-F84 HydrophobicContact CG2-CE1 4.07Å; V60-F84 HydrophobicContact CG2-CE2 3.44Å; V60-F84 VanDerWaalsContact CG2-CE2 3.44Å; V60-F84 HydrophobicContact CG2-CZ 3.31Å
61	F	87.6	Confident	82.1	Confident	1 Å²	1	69.5 Å²	69.5	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-55.2	-52.5	177.1	-170.6	-80.1	0	0	0	111.2	L36 K38 M41 L57 E58 S63 L64 D65 L72	L36-F61 VanDerWaalsContact O-CE2 3.3Å; L36-F61 WeakPolarHBondContact O-CE2 3.07Å; K38-F61 HydrophobicContact CD-CD1 4.33Å; K38-F61 HydrophobicContact CG-CB 4.32Å; K38-F61 HydrophobicContact CG-CD1 3.5Å; K38-F61 VanDerWaalsContact CG-CD1 3.5Å; K38-F61 HydrophobicContact CG-CD2 4.11Å; K38-F61 HydrophobicContact CG-CE1 3.79Å; K38-F61 HydrophobicContact CG-CE2 4.38Å; K38-F61 HydrophobicContact CG-CG 3.69Å; K38-F61 HydrophobicContact CG-CZ 4.24Å; M41-F61 HydrophobicContact CG-CD2 3.98Å; M41-F61 HydrophobicContact SD-CB 3.68Å; M41-F61 HydrophobicContact SD-CD2 3.59Å; M41-F61 VanDerWaalsContact SD-CD2 3.59Å; M41-F61 HydrophobicContact SD-CG 4.12Å; L57-F61 PolarHBondContact O-N 2.93Å; E58-F61 WeakPolarHBondContact O-CB 3.27Å; E58-F61 PolarHBondContact O-N 3.29Å; F61-S63 PolarHBondContact O-N 3.5Å; F61-L64 PolarHBondContact O-N 2.87Å; F61-D65 HydrophobicContact CD1-CB 4.04Å; F61-D65 HydrophobicContact CE1-CB 3.74Å; F61-D65 WeakPolarHBondContact O-CB 3.41Å; F61-D65 PolarHBondContact O-N 3.32Å; F61-L72 HydrophobicContact CD2-CD1 3.44Å; F61-L72 VanDerWaalsContact CD2-CD1 3.44Å; F61-L72 HydrophobicContact CD2-CG 4.21Å; F61-L72 HydrophobicContact CE2-CB 4.25Å; F61-L72 HydrophobicContact CE2-CD1 3.52Å; F61-L72 HydrophobicContact CE2-CG 3.79Å; F61-L72 HydrophobicContact CG-CD1 3.95Å; F61-L72 HydrophobicContact CZ-CD1 4.12Å; F61-L72 HydrophobicContact CZ-CG 3.98Å
62	D	85.2	Confident	83.2	Confident	75 Å²	75	61.5 Å²	61.5	40%	0.401	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-28.5	-177.9	-70.5	-15	0	0	0	112.4	K38 E58 M59 V60	K38-D62 WeakPolarHBondContact CE-OD1 3.35Å; K38-D62 IonicContact NZ-OD1 2.68Å; K38-D62 PolarHBondContact NZ-OD1 3.49Å; K38-D62 IonicContact NZ-OD2 3.1Å; K38-D62 PolarHBondContact NZ-OD2 2.93Å; E58-D62 PolarHBondContact O-N 3.33Å; M59-D62 PolarHBondContact O-N 2.91Å; V60-D62 PolarHBondContact O-N 2.93Å
63	S	84.4	Confident	84	Confident	64 Å²	64	62.6 Å²	62.6	45%	0.448	34%	0.339	S	S	.	.	H	α-helix	trans	-74.3	-27.3	174.7	77.7	0	0	0	0	113.7	M59 V60 F61	M59-S63 WeakPolarHBondContact O-CB 3.48Å; M59-S63 PolarHBondContact O-N 3.08Å; V60-S63 PolarHBondContact O-N 3.05Å; V60-S63 PolarHBondContact O-OG 3.03Å; F61-S63 PolarHBondContact O-N 3.5Å
64	L	85.5	Confident	84.6	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-89.7	-34.5	-179.6	-64.1	174.3	0	0	0	111.5	V60 F61 Q66 L72 F77	V60-L64 HydrophobicContact CG1-CD1 3.82Å; V60-L64 HydrophobicContact CG1-CG 4.33Å; V60-L64 VanDerWaalsContact O-CG 3.28Å; V60-L64 WeakPolarHBondContact O-CG 3.37Å; V60-L64 PolarHBondContact O-N 3.42Å; V60-L64 VanDerWaalsContact O-N 3.13Å; F61-L64 PolarHBondContact O-N 2.87Å; L64-Q66 PolarHBondContact O-N 3.47Å; L64-L72 VanDerWaalsContact C-CD2 3.47Å; L64-L72 HydrophobicContact CB-CD1 3.74Å; L64-L72 HydrophobicContact CB-CD2 3.45Å; L64-L72 VanDerWaalsContact CB-CD2 3.45Å; L64-L72 HydrophobicContact CB-CG 4.25Å; L64-L72 HydrophobicContact CD1-CD1 4.02Å; L64-F77 HydrophobicContact CD1-CD2 3.93Å; L64-F77 HydrophobicContact CD1-CE2 4.18Å
65	D	88.2	Confident	84.9	Confident	7 Å²	7	67.4 Å²	67.4	4%	0.037	35%	0.348	C	S	.	.			trans	-78.2	67.2	-179.2	-175.9	20.7	0	0	0	110.9	F61 D67 H68 N69 G70 L72	F61-D65 HydrophobicContact CD1-CB 4.04Å; F61-D65 HydrophobicContact CE1-CB 3.74Å; F61-D65 WeakPolarHBondContact O-CB 3.41Å; F61-D65 PolarHBondContact O-N 3.32Å; D65-D67 VanDerWaalsContact C-N 3.28Å; D65-D67 PolarHBondContact O-N 2.94Å; D65-H68 PolarHBondContact O-N 2.94Å; D65-H68 PolarHBondContact O-ND1 3.13Å; D65-H68 WeakPolarHBondContact OD1-CA 3.4Å; D65-H68 PolarHBondContact OD1-N 3.44Å; D65-N69 PolarHBondContact OD1-N 3.42Å; D65-N69 VanDerWaalsContact OD1-N 3.14Å; D65-G70 VanDerWaalsContact OD2-CA 3.29Å; D65-G70 WeakPolarHBondContact OD2-CA 3.35Å; D65-G70 PolarHBondContact OD2-N 3Å; D65-L72 HydrophobicContact CB-CD2 4.35Å
66	Q	83.3	Confident	85.3	Confident	136 Å²	136	63.2 Å²	63.2	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.5	-174	-68.8	-179.4	-2.9	0	0	113.8	L64	L64-Q66 PolarHBondContact O-N 3.47Å
67	D	86.8	Confident	85.7	Confident	88 Å²	88	59.6 Å²	59.6	47%	0.471	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.1	177.2	72.9	-16.4	0	0	0	112.8	D65 N69	D65-D67 VanDerWaalsContact C-N 3.28Å; D65-D67 PolarHBondContact O-N 2.94Å; D67-N69 VanDerWaalsContact CG-ND2 3.26Å; D67-N69 PolarHBondContact O-N 3.16Å; D67-N69 PolarHBondContact OD1-N 3.29Å; D67-N69 PolarHBondContact OD1-ND2 2.9Å; D67-N69 VanDerWaalsContact OD1-ND2 3.1Å; D67-N69 PolarHBondContact OD2-ND2 3.38Å
68	H	84.9	Confident	86	Confident	153 Å²	153	60.7 Å²	60.7	71%	0.708	31%	0.313	S	S	*	.			trans	56.4	33.9	176.4	-55	-47.9	0	0	0	113.1	D65 G70	D65-H68 PolarHBondContact O-N 2.94Å; D65-H68 PolarHBondContact O-ND1 3.13Å; D65-H68 WeakPolarHBondContact OD1-CA 3.4Å; D65-H68 PolarHBondContact OD1-N 3.44Å; H68-G70 VanDerWaalsContact C-N 3.3Å
69	N	89.2	Confident	85.9	Confident	77 Å²	77	63.8 Å²	63.8	41%	0.412	32%	0.321	S	S	.	.	S	Bend	trans	-85.8	-6.5	-179.9	76.9	24.8	0	0	0	112.1	D65 D67 K71	D65-N69 PolarHBondContact OD1-N 3.42Å; D65-N69 VanDerWaalsContact OD1-N 3.14Å; D67-N69 VanDerWaalsContact CG-ND2 3.26Å; D67-N69 PolarHBondContact O-N 3.16Å; D67-N69 PolarHBondContact OD1-N 3.29Å; D67-N69 PolarHBondContact OD1-ND2 2.9Å; D67-N69 VanDerWaalsContact OD1-ND2 3.1Å; D67-N69 PolarHBondContact OD2-ND2 3.38Å; N69-K71 VanDerWaalsContact C-N 3.35Å; N69-K71 VanDerWaalsContact OD1-CA 3.29Å; N69-K71 WeakPolarHBondContact OD1-CA 3.36Å; N69-K71 VanDerWaalsContact OD1-CB 3.3Å; N69-K71 WeakPolarHBondContact OD1-CB 3.47Å; N69-K71 PolarHBondContact OD1-N 3.23Å; N69-K71 PolarHBondContact OD1-O 2.94Å
70	G	87.9	Confident	85.7	Confident	34 Å²	34	58.4 Å²	58.4	35%	0.351	30%	0.297	S	S	.	.	S	Bend	trans	78.1	13.5	180	0	0	0	0	0	114.6	D65 H68	D65-G70 VanDerWaalsContact OD2-CA 3.29Å; D65-G70 WeakPolarHBondContact OD2-CA 3.35Å; D65-G70 PolarHBondContact OD2-N 3Å; H68-G70 VanDerWaalsContact C-N 3.3Å
71	K	91	Very high	85.5	Confident	96 Å²	96	58.8 Å²	58.8	42%	0.417	30%	0.297	S	S	.	.			trans	-141.6	123.8	-175.4	-58.5	-178	-179.8	-176	0	111.1	Y35 L36 N69	Y35-K71 HydrophobicContact CD1-CD 4.42Å; Y35-K71 HydrophobicContact CD2-CB 3.82Å; Y35-K71 HydrophobicContact CD2-CD 3.73Å; Y35-K71 HydrophobicContact CD2-CG 3.67Å; Y35-K71 HydrophobicContact CE1-CD 4.45Å; Y35-K71 HydrophobicContact CE2-CD 3.79Å; Y35-K71 HydrophobicContact CE2-CG 3.91Å; Y35-K71 HydrophobicContact CG-CB 4.19Å; Y35-K71 HydrophobicContact CG-CD 4.07Å; Y35-K71 HydrophobicContact CG-CG 4.33Å; L36-K71 WeakPolarHBondContact O-CA 3.49Å; N69-K71 VanDerWaalsContact C-N 3.35Å; N69-K71 VanDerWaalsContact OD1-CA 3.29Å; N69-K71 WeakPolarHBondContact OD1-CA 3.36Å; N69-K71 VanDerWaalsContact OD1-CB 3.3Å; N69-K71 WeakPolarHBondContact OD1-CB 3.47Å; N69-K71 PolarHBondContact OD1-N 3.23Å; N69-K71 PolarHBondContact OD1-O 2.94Å
72	L	88.1	Confident	84.5	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.6	173.5	-76.3	168.7	0	0	0	111.4	Y35 L36 M41 F61 L64 D65 E76	Y35-L72 CarbonylContact C-O 3.46Å; Y35-L72 VanDerWaalsContact CA-O 3.23Å; Y35-L72 WeakPolarHBondContact CA-O 3.37Å; L36-L72 HydrophobicContact CB-CB 4.33Å; L36-L72 PolarHBondContact N-O 3.27Å; L36-L72 PolarHBondContact O-N 2.93Å; M41-L72 HydrophobicContact SD-CD1 4.25Å; F61-L72 HydrophobicContact CD2-CD1 3.44Å; F61-L72 VanDerWaalsContact CD2-CD1 3.44Å; F61-L72 HydrophobicContact CD2-CG 4.21Å; F61-L72 HydrophobicContact CE2-CB 4.25Å; F61-L72 HydrophobicContact CE2-CD1 3.52Å; F61-L72 HydrophobicContact CE2-CG 3.79Å; F61-L72 HydrophobicContact CG-CD1 3.95Å; F61-L72 HydrophobicContact CZ-CD1 4.12Å; F61-L72 HydrophobicContact CZ-CG 3.98Å; L64-L72 VanDerWaalsContact C-CD2 3.47Å; L64-L72 HydrophobicContact CB-CD1 3.74Å; L64-L72 HydrophobicContact CB-CD2 3.45Å; L64-L72 VanDerWaalsContact CB-CD2 3.45Å; L64-L72 HydrophobicContact CB-CG 4.25Å; L64-L72 HydrophobicContact CD1-CD1 4.02Å; D65-L72 HydrophobicContact CB-CD2 4.35Å; L72-E76 HydrophobicContact CD2-CB 4.08Å
73	T	90	Very high	83.7	Confident	53 Å²	53	60 Å²	60	33%	0.325	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	162.4	170	62.5	0	0	0	0	111.5	E75 E76 F77	T73-E75 PolarHBondContact O-N 3.33Å; T73-E76 WeakPolarHBondContact CB-OE2 3.27Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.28Å; T73-E76 PolarHBondContact N-OE2 2.94Å; T73-E76 PolarHBondContact O-N 3.39Å; T73-E76 VanDerWaalsContact OG1-CG 3.3Å; T73-E76 WeakPolarHBondContact OG1-CG 3.47Å; T73-E76 PolarHBondContact OG1-N 3.35Å; T73-E76 PolarHBondContact OG1-OE2 3.44Å; T73-F77 WeakPolarHBondContact O-CB 3.39Å; T73-F77 PolarHBondContact O-N 2.87Å
74	M	87.5	Confident	82.9	Confident	44 Å²	44	58.6 Å²	58.6	22%	0.217	30%	0.302	C	S	.	.	H	α-helix	trans	-55	-40.4	175.2	176.3	68.4	95.7	0	0	111.7	R22 F25 N26 I78	R22-M74 HydrophobicContact CB-CE 4.46Å; R22-M74 HydrophobicContact CG-CE 3.55Å; R22-M74 HydrophobicContact CG-SD 4.14Å; F25-M74 HydrophobicContact CB-CE 3.85Å; F25-M74 HydrophobicContact CB-SD 3.55Å; F25-M74 VanDerWaalsContact CB-SD 3.55Å; F25-M74 HydrophobicContact CD1-CB 4.32Å; F25-M74 HydrophobicContact CD1-CE 3.45Å; F25-M74 VanDerWaalsContact CD1-CE 3.45Å; F25-M74 HydrophobicContact CD1-SD 3.72Å; F25-M74 HydrophobicContact CD2-CB 4.34Å; F25-M74 HydrophobicContact CD2-SD 4Å; F25-M74 HydrophobicContact CE1-CB 4.08Å; F25-M74 HydrophobicContact CE1-CE 4.22Å; F25-M74 HydrophobicContact CE1-SD 4.43Å; F25-M74 VanDerWaalsContact CE2-CA 3.41Å; F25-M74 HydrophobicContact CE2-CB 4.08Å; F25-M74 VanDerWaalsContact CE2-N 3.31Å; F25-M74 HydrophobicContact CG-CB 4.44Å; F25-M74 HydrophobicContact CG-CE 3.78Å; F25-M74 HydrophobicContact CG-SD 3.46Å; F25-M74 WeakPolarHBondContact CG-SD 3.35Å; F25-M74 HydrophobicContact CZ-CB 3.95Å; N26-M74 WeakPolarHBondContact OD1-CE 3.37Å; M74-I78 HydrophobicContact CG-CD1 3.76Å; M74-I78 HydrophobicContact CG-CG1 4.41Å; M74-I78 WeakPolarHBondContact O-CB 3.5Å; M74-I78 VanDerWaalsContact O-CG1 3.22Å; M74-I78 WeakPolarHBondContact O-CG1 3.49Å; M74-I78 PolarHBondContact O-N 3.26Å; M74-I78 HydrophobicContact SD-CD1 3.59Å; M74-I78 VanDerWaalsContact SD-CD1 3.59Å; M74-I78 HydrophobicContact SD-CG1 3.97Å
75	E	84.1	Confident	81.9	Confident	154 Å²	154	58.5 Å²	58.5	72%	0.72	30%	0.302	S	S	*	.	H	α-helix	trans	-67.2	-43.8	-179.6	-67.5	-179.5	179.1	0	0	112	T73 R79	T73-E75 PolarHBondContact O-N 3.33Å; E75-R79 WeakPolarHBondContact O-CB 3.41Å; E75-R79 PolarHBondContact O-N 3.49Å
76	E	86.6	Confident	80.6	Confident	32 Å²	32	65.5 Å²	65.5	15%	0.15	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-43.5	176.8	-72.2	161.4	152.6	0	0	111.7	L72 T73 R79 G80	L72-E76 HydrophobicContact CD2-CB 4.08Å; T73-E76 WeakPolarHBondContact CB-OE2 3.27Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.28Å; T73-E76 PolarHBondContact N-OE2 2.94Å; T73-E76 PolarHBondContact O-N 3.39Å; T73-E76 VanDerWaalsContact OG1-CG 3.3Å; T73-E76 WeakPolarHBondContact OG1-CG 3.47Å; T73-E76 PolarHBondContact OG1-N 3.35Å; T73-E76 PolarHBondContact OG1-OE2 3.44Å; E76-R79 PolarHBondContact O-N 3.02Å; E76-G80 PolarHBondContact O-N 3.29Å
77	F	87.1	Confident	79.6	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-51.9	177.1	-174	-95.5	0	0	0	111	A21 F24 F25 L36 M41 L64 T73 R79 G80 F81	A21-F77 HydrophobicContact CB-CD1 4.4Å; A21-F77 HydrophobicContact CB-CE1 4.26Å; A21-F77 WeakPolarHBondContact O-CE1 3.36Å; F24-F77 HydrophobicContact CB-CE1 4.14Å; F24-F77 HydrophobicContact CB-CZ 4.2Å; F25-F77 HydrophobicContact CB-CD1 4.09Å; F25-F77 HydrophobicContact CB-CE1 4.4Å; F25-F77 HydrophobicContact CD2-CB 3.77Å; F25-F77 HydrophobicContact CD2-CD1 4.1Å; F25-F77 AromaticContact CD2-CG 3.91Å; F25-F77 HydrophobicContact CD2-CG 3.91Å; F25-F77 HydrophobicContact CE2-CB 4.21Å; L36-F77 HydrophobicContact CD1-CD2 4.26Å; L36-F77 HydrophobicContact CD1-CE2 4.47Å; M41-F77 HydrophobicContact CE-CE2 4.2Å; L64-F77 HydrophobicContact CD1-CD2 3.93Å; L64-F77 HydrophobicContact CD1-CE2 4.18Å; T73-F77 WeakPolarHBondContact O-CB 3.39Å; T73-F77 PolarHBondContact O-N 2.87Å; F77-R79 PolarHBondContact O-N 2.97Å; F77-G80 PolarHBondContact O-N 3.05Å; F77-F81 HydrophobicContact CE1-CB 4.49Å; F77-F81 AromaticContact CE1-CD2 3.95Å; F77-F81 HydrophobicContact CE1-CD2 3.95Å; F77-F81 HydrophobicContact CE1-CG 4.42Å; F77-F81 AromaticContact CZ-CD2 3.89Å; F77-F81 HydrophobicContact CZ-CD2 3.89Å; F77-F81 HydrophobicContact CZ-CE2 4.41Å; F77-F81 WeakPolarHBondContact O-CA 3.47Å; F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 PolarHBondContact O-N 2.99Å
78	I	84.5	Confident	78.2	Confident	27 Å²	27	61.7 Å²	61.7	14%	0.138	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-46	178.9	-70.8	175.2	0	0	0	111	F18 A21 M74 G80 F81	F18-I78 HydrophobicContact CD2-CD1 4.5Å; F18-I78 HydrophobicContact CD2-CG2 3.37Å; F18-I78 HydrophobicContact CE1-CD1 4.28Å; F18-I78 HydrophobicContact CE2-CD1 4.02Å; F18-I78 HydrophobicContact CE2-CG2 3.47Å; F18-I78 VanDerWaalsContact CE2-CG2 3.47Å; F18-I78 HydrophobicContact CG-CG2 4.23Å; F18-I78 HydrophobicContact CZ-CD1 3.88Å; F18-I78 HydrophobicContact CZ-CG2 4.37Å; A21-I78 HydrophobicContact CB-CB 4.48Å; A21-I78 HydrophobicContact CB-CG1 3.93Å; M74-I78 HydrophobicContact CG-CD1 3.76Å; M74-I78 HydrophobicContact CG-CG1 4.41Å; M74-I78 WeakPolarHBondContact O-CB 3.5Å; M74-I78 VanDerWaalsContact O-CG1 3.22Å; M74-I78 WeakPolarHBondContact O-CG1 3.49Å; M74-I78 PolarHBondContact O-N 3.26Å; M74-I78 HydrophobicContact SD-CD1 3.59Å; M74-I78 VanDerWaalsContact SD-CD1 3.59Å; M74-I78 HydrophobicContact SD-CG1 3.97Å; I78-G80 VanDerWaalsContact C-N 3.34Å; I78-G80 PolarHBondContact O-N 3.39Å; I78-F81 PolarHBondContact O-N 2.85Å
79	R	80.7	Confident	76.8	Confident	153 Å²	153	58 Å²	58	58%	0.577	31%	0.313	S	S	*	.	H	α-helix	trans	-60	-43.5	-178.5	-175.8	177.2	70.4	-144.4	1.4	111.7	E75 E76 F77	E75-R79 WeakPolarHBondContact O-CB 3.41Å; E75-R79 PolarHBondContact O-N 3.49Å; E76-R79 PolarHBondContact O-N 3.02Å; F77-R79 PolarHBondContact O-N 2.97Å
80	G	76.9	Confident	75.2	Confident	9 Å²	9	58.4 Å²	58.4	9%	0.093	32%	0.32	C	S	.	.	H	α-helix	trans	-86.5	-22.8	-179.4	0	0	0	0	0	114.6	E76 F77 I78 G82 S83 F84	E76-G80 PolarHBondContact O-N 3.29Å; F77-G80 PolarHBondContact O-N 3.05Å; I78-G80 VanDerWaalsContact C-N 3.34Å; I78-G80 PolarHBondContact O-N 3.39Å; G80-G82 VanDerWaalsContact C-N 3.28Å; G80-G82 PolarHBondContact O-N 3.31Å; G80-S83 PolarHBondContact O-N 2.98Å; G80-S83 PolarHBondContact O-OG 3.47Å; G80-F84 WeakPolarHBondContact O-CB 3.3Å; G80-F84 PolarHBondContact O-N 3.07Å
81	F	75.7	Confident	73.4	Confident	19 Å²	19	63.6 Å²	63.6	8%	0.083	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-40.7	175.5	-172.7	-95.6	0	0	0	111.1	T20 A21 F24 F77 I78 S83 F84 V85	T20-F81 HydrophobicContact CG2-CE1 4.41Å; T20-F81 HydrophobicContact CG2-CZ 4.37Å; A21-F81 HydrophobicContact CB-CB 3.96Å; A21-F81 HydrophobicContact CB-CD1 3.55Å; A21-F81 HydrophobicContact CB-CD2 4.49Å; A21-F81 HydrophobicContact CB-CE1 4.14Å; A21-F81 HydrophobicContact CB-CG 3.75Å; F24-F81 AromaticContact CD2-CE2 3.79Å; F24-F81 HydrophobicContact CD2-CE2 3.79Å; F24-F81 AromaticContact CD2-CZ 3.65Å; F24-F81 HydrophobicContact CD2-CZ 3.65Å; F24-F81 HydrophobicContact CE2-CE2 4.15Å; F24-F81 AromaticContact CE2-CZ 3.74Å; F24-F81 HydrophobicContact CE2-CZ 3.74Å; F77-F81 HydrophobicContact CE1-CB 4.49Å; F77-F81 AromaticContact CE1-CD2 3.95Å; F77-F81 HydrophobicContact CE1-CD2 3.95Å; F77-F81 HydrophobicContact CE1-CG 4.42Å; F77-F81 AromaticContact CZ-CD2 3.89Å; F77-F81 HydrophobicContact CZ-CD2 3.89Å; F77-F81 HydrophobicContact CZ-CE2 4.41Å; F77-F81 WeakPolarHBondContact O-CA 3.47Å; F77-F81 WeakPolarHBondContact O-CB 3.38Å; F77-F81 PolarHBondContact O-N 2.99Å; I78-F81 PolarHBondContact O-N 2.85Å; F81-S83 PolarHBondContact O-N 2.86Å; F81-F84 PolarHBondContact O-N 3.22Å; F81-V85 HydrophobicContact CD1-CG2 3.85Å; F81-V85 HydrophobicContact CE1-CG2 3.53Å; F81-V85 HydrophobicContact CE2-CG2 4.24Å; F81-V85 HydrophobicContact CG-CG2 4.36Å; F81-V85 HydrophobicContact CZ-CG2 3.72Å; F81-V85 VanDerWaalsContact O-CG2 3.3Å; F81-V85 WeakPolarHBondContact O-CG2 3.34Å; F81-V85 PolarHBondContact O-N 3.47Å
82	G	67.1	Low	71.4	Confident	27 Å²	27	61.3 Å²	61.3	28%	0.278	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-40.4	175.9	0	0	0	0	0	113.5	G80 K86	G80-G82 VanDerWaalsContact C-N 3.28Å; G80-G82 PolarHBondContact O-N 3.31Å; G82-K86 VanDerWaalsContact O-CG 3.31Å; G82-K86 WeakPolarHBondContact O-CG 3.36Å; G82-K86 PolarHBondContact O-N 3Å
83	S	67.9	Low	69.7	Low	75 Å²	75	63.4 Å²	63.4	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-71.9	-38.1	175.5	62.3	0	0	0	0	112	G80 F81 K86 S87	G80-S83 PolarHBondContact O-N 2.98Å; G80-S83 PolarHBondContact O-OG 3.47Å; F81-S83 PolarHBondContact O-N 2.86Å; S83-K86 PolarHBondContact O-N 3.27Å; S83-S87 WeakPolarHBondContact O-CB 3.47Å; S83-S87 PolarHBondContact O-N 2.71Å; S83-S87 PolarHBondContact O-OG 2.64Å; S83-S87 VanDerWaalsContact O-OG 3.09Å
84	F	68	Low	67.8	Low	34 Å²	34	66.3 Å²	66.3	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-45.5	179.9	-179.1	-98.9	0	0	0	112.4	V60 G80 F81 K86 S87 A88	V60-F84 HydrophobicContact CB-CE2 4.35Å; V60-F84 HydrophobicContact CB-CZ 4.47Å; V60-F84 HydrophobicContact CG1-CD2 4.25Å; V60-F84 HydrophobicContact CG1-CE1 4.5Å; V60-F84 HydrophobicContact CG1-CE2 4.21Å; V60-F84 HydrophobicContact CG1-CG 4.43Å; V60-F84 HydrophobicContact CG1-CZ 4.34Å; V60-F84 HydrophobicContact CG2-CD2 4.27Å; V60-F84 HydrophobicContact CG2-CE1 4.07Å; V60-F84 HydrophobicContact CG2-CE2 3.44Å; V60-F84 VanDerWaalsContact CG2-CE2 3.44Å; V60-F84 HydrophobicContact CG2-CZ 3.31Å; G80-F84 WeakPolarHBondContact O-CB 3.3Å; G80-F84 PolarHBondContact O-N 3.07Å; F81-F84 PolarHBondContact O-N 3.22Å; F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.01Å; F84-S87 PolarHBondContact O-N 3.46Å; F84-S87 PolarHBondContact O-OG 2.88Å; F84-A88 HydrophobicContact CD2-CB 4.03Å; F84-A88 HydrophobicContact CE1-CB 4.32Å; F84-A88 HydrophobicContact CE2-CB 3.63Å; F84-A88 HydrophobicContact CZ-CB 3.79Å; F84-A88 WeakPolarHBondContact O-CB 3.5Å; F84-A88 PolarHBondContact O-N 3.21Å
85	V	63.9	Low	66	Low	6 Å²	6	69.3 Å²	69.3	4%	0.036	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-36.8	177.4	174.7	0	0	0	0	111.2	F81 H89 M92 L93	F81-V85 HydrophobicContact CD1-CG2 3.85Å; F81-V85 HydrophobicContact CE1-CG2 3.53Å; F81-V85 HydrophobicContact CE2-CG2 4.24Å; F81-V85 HydrophobicContact CG-CG2 4.36Å; F81-V85 HydrophobicContact CZ-CG2 3.72Å; F81-V85 VanDerWaalsContact O-CG2 3.3Å; F81-V85 WeakPolarHBondContact O-CG2 3.34Å; F81-V85 PolarHBondContact O-N 3.47Å; V85-H89 CarbonylContact O-C 3.5Å; V85-M92 HydrophobicContact CG1-CB 4.42Å; V85-M92 HydrophobicContact CG2-CE 3.96Å; V85-L93 HydrophobicContact CG1-CD2 4.46Å; V85-L93 HydrophobicContact CG1-CG 4.04Å
86	K	62.2	Low	64.4	Low	155 Å²	155	62.9 Å²	62.9	67%	0.674	33%	0.334	S	S	*	.	H	α-helix	trans	-69.8	-31.3	176.2	-73.8	178.3	-177.9	-178.9	0	113	G82 S83 F84	G82-K86 VanDerWaalsContact O-CG 3.31Å; G82-K86 WeakPolarHBondContact O-CG 3.36Å; G82-K86 PolarHBondContact O-N 3Å; S83-K86 PolarHBondContact O-N 3.27Å; F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.01Å
87	S	62.4	Low	62.7	Low	96 Å²	96	66 Å²	66	67%	0.671	35%	0.348	S	S	*	.	H	α-helix	trans	-96	-37.3	-175.4	64.2	0	0	0	0	115	S83 F84	S83-S87 WeakPolarHBondContact O-CB 3.47Å; S83-S87 PolarHBondContact O-N 2.71Å; S83-S87 PolarHBondContact O-OG 2.64Å; S83-S87 VanDerWaalsContact O-OG 3.09Å; F84-S87 PolarHBondContact O-N 3.46Å; F84-S87 PolarHBondContact O-OG 2.88Å
88	A	56.7	Low	61	Low	47 Å²	47	70.6 Å²	70.6	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-111.4	-29.6	-164.6	0	0	0	0	0	114.7	F84	F84-A88 HydrophobicContact CD2-CB 4.03Å; F84-A88 HydrophobicContact CE1-CB 4.32Å; F84-A88 HydrophobicContact CE2-CB 3.63Å; F84-A88 HydrophobicContact CZ-CB 3.79Å; F84-A88 WeakPolarHBondContact O-CB 3.5Å; F84-A88 PolarHBondContact O-N 3.21Å
89	H	54.7	Low	59.2	Low	76 Å²	76	78.1 Å²	78.1	35%	0.352	40%	0.396	S	S	.	.			trans	-145.2	73.5	-177	-105.8	-73	0	0	0	112.5	V85 E91 M92	V85-H89 CarbonylContact O-C 3.5Å; H89-E91 PolarHBondContact O-N 3.37Å; H89-E91 VanDerWaalsContact O-N 3.13Å; H89-M92 HydrophobicContact CB-CE 3.67Å; H89-M92 HydrophobicContact CB-CG 4.43Å; H89-M92 PolarHBondContact O-N 3.46Å; H89-M92 VanDerWaalsContact O-N 3.1Å
90	P	56	Low	57.4	Low	86 Å²	86	75.5 Å²	75.5	56%	0.558	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.3	175.4	22.8	-31.5	0	0	0	113	M92 L93	P90-M92 PolarHBondContact O-N 3.3Å; P90-L93 WeakPolarHBondContact O-CB 3.45Å; P90-L93 PolarHBondContact O-N 2.93Å; P90-L93 VanDerWaalsContact O-N 3.12Å
91	E	51.1	Low	55.8	Low	142 Å²	142	78.2 Å²	78.2	66%	0.664	40%	0.404	S	S	*	.	H	α-helix	trans	-62.3	-28	174.9	-62.5	-172.2	175.8	0	0	113.5	H89 L93 H94 L95	H89-E91 PolarHBondContact O-N 3.37Å; H89-E91 VanDerWaalsContact O-N 3.13Å; E91-L93 VanDerWaalsContact C-N 3.27Å; E91-L93 PolarHBondContact O-N 3.31Å; E91-H94 WeakPolarHBondContact O-CB 3.41Å; E91-H94 PolarHBondContact O-N 3.33Å; E91-H94 VanDerWaalsContact O-N 3.13Å; E91-L95 PolarHBondContact O-N 3.45Å
92	M	47.4	Very low	54.2	Low	49 Å²	49	81.1 Å²	81.1	24%	0.241	43%	0.427	C	S	.	.	H	α-helix	trans	-66	-29.6	175.1	-80.6	-163.8	-75	0	0	112.2	V85 H89 P90 H94 L95 I96	V85-M92 HydrophobicContact CG1-CB 4.42Å; V85-M92 HydrophobicContact CG2-CE 3.96Å; H89-M92 HydrophobicContact CB-CE 3.67Å; H89-M92 HydrophobicContact CB-CG 4.43Å; H89-M92 PolarHBondContact O-N 3.46Å; H89-M92 VanDerWaalsContact O-N 3.1Å; P90-M92 PolarHBondContact O-N 3.3Å; M92-H94 VanDerWaalsContact C-N 3.26Å; M92-H94 PolarHBondContact O-N 3.03Å; M92-L95 PolarHBondContact O-N 3.47Å; M92-I96 WeakPolarHBondContact O-CB 3.37Å; M92-I96 WeakPolarHBondContact O-CD1 3.49Å; M92-I96 WeakPolarHBondContact O-CG1 3.4Å; M92-I96 PolarHBondContact O-N 3.32Å
93	L	52.5	Low	52.8	Low	43 Å²	43	89.7 Å²	89.7	23%	0.225	45%	0.451	C	S	.	.	H	α-helix	trans	-62.3	-36.3	172.9	-75.5	163.1	0	0	0	111.3	L13 V85 P90 E91 I96 E97	L13-L93 HydrophobicContact CD1-CD2 3.97Å; L13-L93 HydrophobicContact CD2-CD2 3.84Å; L13-L93 HydrophobicContact CG-CD2 3.9Å; V85-L93 HydrophobicContact CG1-CD2 4.46Å; V85-L93 HydrophobicContact CG1-CG 4.04Å; P90-L93 WeakPolarHBondContact O-CB 3.45Å; P90-L93 PolarHBondContact O-N 2.93Å; P90-L93 VanDerWaalsContact O-N 3.12Å; E91-L93 VanDerWaalsContact C-N 3.27Å; E91-L93 PolarHBondContact O-N 3.31Å; L93-I96 WeakPolarHBondContact O-CB 3.42Å; L93-I96 PolarHBondContact O-N 2.95Å; L93-E97 WeakPolarHBondContact O-CG 3.35Å; L93-E97 PolarHBondContact O-N 3.43Å
94	H	50.9	Low	51.3	Low	114 Å²	114	92 Å²	92	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-72.5	-35.2	-179.7	-158.9	42.3	0	0	0	112.7	E91 M92 I96 E97 Q98	E91-H94 WeakPolarHBondContact O-CB 3.41Å; E91-H94 PolarHBondContact O-N 3.33Å; E91-H94 VanDerWaalsContact O-N 3.13Å; M92-H94 VanDerWaalsContact C-N 3.26Å; M92-H94 PolarHBondContact O-N 3.03Å; H94-I96 VanDerWaalsContact C-N 3.32Å; H94-E97 IonicContact ND1-OE2 2.69Å; H94-E97 PolarHBondContact ND1-OE2 2.9Å; H94-E97 PolarHBondContact O-N 3.01Å; H94-Q98 WeakPolarHBondContact O-CG 3.46Å; H94-Q98 PolarHBondContact O-N 2.86Å
95	L	50.1	Low	49.9	Very low	107 Å²	107	95.2 Å²	95.2	56%	0.56	48%	0.476	S	S	*	.	H	α-helix	trans	-66	-36.4	171.6	-81.1	158.2	0	0	0	112.2	E91 M92 Q98 R99	E91-L95 PolarHBondContact O-N 3.45Å; M92-L95 PolarHBondContact O-N 3.47Å; L95-Q98 PolarHBondContact O-N 2.9Å; L95-R99 PolarHBondContact O-N 3.44Å
96	I	50.1	Low	48.5	Very low	19 Å²	19	101.9 Å²	101.9	10%	0.097	51%	0.511	C	S	.	.	H	α-helix	trans	-67.1	-42	175.4	-73.8	170.5	0	0	0	110.7	L16 T20 M92 L93 H94 R99 R100	L16-I96 HydrophobicContact CB-CG2 4.23Å; L16-I96 HydrophobicContact CD2-CB 4.48Å; L16-I96 HydrophobicContact CD2-CG2 3.12Å; L16-I96 HydrophobicContact CG-CG2 3.39Å; T20-I96 HydrophobicContact CG2-CD1 4.49Å; M92-I96 WeakPolarHBondContact O-CB 3.37Å; M92-I96 WeakPolarHBondContact O-CD1 3.49Å; M92-I96 WeakPolarHBondContact O-CG1 3.4Å; M92-I96 PolarHBondContact O-N 3.32Å; L93-I96 WeakPolarHBondContact O-CB 3.42Å; L93-I96 PolarHBondContact O-N 2.95Å; H94-I96 VanDerWaalsContact C-N 3.32Å; I96-R99 PolarHBondContact O-N 3.49Å; I96-R100 PolarHBondContact O-N 3.34Å
97	E	51	Low	47	Very low	98 Å²	98	102 Å²	102	46%	0.458	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-37	172.6	-75.7	175.6	161.9	0	0	113.5	L93 H94 R99 R100 S101	L93-E97 WeakPolarHBondContact O-CG 3.35Å; L93-E97 PolarHBondContact O-N 3.43Å; H94-E97 IonicContact ND1-OE2 2.69Å; H94-E97 PolarHBondContact ND1-OE2 2.9Å; H94-E97 PolarHBondContact O-N 3.01Å; E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 3.48Å; E97-R100 WeakPolarHBondContact O-CB 3.48Å; E97-R100 PolarHBondContact O-N 3.05Å; E97-S101 PolarHBondContact O-N 3.42Å; E97-S101 VanDerWaalsContact O-N 3.1Å; E97-S101 PolarHBondContact O-OG 3.01Å
98	Q	51.4	Low	45.9	Very low	100 Å²	100	102.1 Å²	102.1	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-64.8	-36.1	175.4	-80.3	-176.1	0.8	0	0	112.6	H94 L95 R100 S101 S102	H94-Q98 WeakPolarHBondContact O-CG 3.46Å; H94-Q98 PolarHBondContact O-N 2.86Å; L95-Q98 PolarHBondContact O-N 2.9Å; Q98-R100 VanDerWaalsContact C-N 3.29Å; Q98-R100 PolarHBondContact O-N 3.31Å; Q98-S101 WeakPolarHBondContact CA-OG 3.44Å; Q98-S101 PolarHBondContact O-OG 3.04Å; Q98-S101 VanDerWaalsContact O-OG 3.05Å; Q98-S102 PolarHBondContact O-N 2.89Å; Q98-S102 VanDerWaalsContact O-N 3.12Å; Q98-S102 PolarHBondContact O-OG 2.9Å
99	R	46.2	Very low	44.8	Very low	185 Å²	185	107.1 Å²	107.1	70%	0.698	54%	0.54	S	S	*	.	H	α-helix	trans	-67.5	-30.3	173.3	-78.8	-174.6	174.3	175.1	0.8	112.7	L95 I96 E97 S102 R103	L95-R99 PolarHBondContact O-N 3.44Å; I96-R99 PolarHBondContact O-N 3.49Å; E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 3.48Å; R99-S102 PolarHBondContact O-N 3Å; R99-R103 PolarHBondContact O-N 3.47Å
100	R	43.5	Very low	43.8	Very low	98 Å²	98	115 Å²	115	37%	0.37	57%	0.567	S	S	.	*	H	α-helix	trans	-68.8	-46.6	176.4	-154.1	177.3	176.2	-178.4	1.5	111.6	I96 E97 Q98 S102 R103 E104	I96-R100 PolarHBondContact O-N 3.34Å; E97-R100 WeakPolarHBondContact O-CB 3.48Å; E97-R100 PolarHBondContact O-N 3.05Å; Q98-R100 VanDerWaalsContact C-N 3.29Å; Q98-R100 PolarHBondContact O-N 3.31Å; R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 2.87Å; R100-R103 PolarHBondContact O-N 3.18Å; R100-E104 IonicContact NE-OE1 2.68Å; R100-E104 PolarHBondContact O-N 3.5Å
101	S	43.8	Very low	42.7	Very low	66 Å²	66	120.6 Å²	120.6	46%	0.462	59%	0.585	S	S	.	*	H	α-helix	trans	-67.1	-23.5	175.6	40	0	0	0	0	113.5	E97 Q98 V105	E97-S101 PolarHBondContact O-N 3.42Å; E97-S101 VanDerWaalsContact O-N 3.1Å; E97-S101 PolarHBondContact O-OG 3.01Å; Q98-S101 WeakPolarHBondContact CA-OG 3.44Å; Q98-S101 PolarHBondContact O-OG 3.04Å; Q98-S101 VanDerWaalsContact O-OG 3.05Å; S101-V105 WeakPolarHBondContact O-CG2 3.39Å
102	S	41.9	Very low	41.8	Very low	81 Å²	81	118.1 Å²	118.1	57%	0.566	59%	0.59	S	S	*	*	H	α-helix	trans	-78.2	-24.5	174.5	-54.6	0	0	0	0	113.9	Q98 R99 R100	Q98-S102 PolarHBondContact O-N 2.89Å; Q98-S102 VanDerWaalsContact O-N 3.12Å; Q98-S102 PolarHBondContact O-OG 2.9Å; R99-S102 PolarHBondContact O-N 3Å; R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 2.87Å
103	R	36.5	Very low	41.2	Very low	206 Å²	206	123.3 Å²	123.3	78%	0.777	62%	0.618	S	S	*	*	H	α-helix	trans	-91.4	-26.1	179.3	-87.3	178.7	172.6	170.3	-2.5	113.4	R99 R100	R99-R103 PolarHBondContact O-N 3.47Å; R100-R103 PolarHBondContact O-N 3.18Å
104	E	37.5	Very low	40.6	Very low	124 Å²	124	124.2 Å²	124.2	58%	0.579	64%	0.638	S	S	*	*	H	α-helix	trans	-84.5	-10	179.9	-69.6	179.5	-176.5	0	0	114.3	R100	R100-E104 IonicContact NE-OE1 2.68Å; R100-E104 PolarHBondContact O-N 3.5Å
105	V	38.8	Very low	40.4	Very low	102 Å²	102	124.4 Å²	124.4	62%	0.618	65%	0.652	S	S	*	*	S	Bend	trans	-89.6	-10.1	-178.1	176.4	0	0	0	0	113.6	S101	S101-V105 WeakPolarHBondContact O-CG2 3.39Å
106	N	33	Very low	40.3	Very low	146 Å²	146	123.3 Å²	123.3	78%	0.781	65%	0.653	S	S	*	*	S	Bend	trans	-93.5	-3.6	-177.5	-84.6	-25.1	0	0	0	115.5
107	D	32.5	Very low	40.8	Very low	158 Å²	158	125.5 Å²	125.5	85%	0.845	67%	0.665	S	S	*	*	S	Bend	trans	-105.1	0.1	-177.4	-141.2	4.2	0	0	0	113.9
108	S	37.5	Very low	41.6	Very low	98 Å²	98	124.8 Å²	124.8	69%	0.685	66%	0.664	S	S	*	*	S	Bend	trans	-100.9	3.1	-170.7	-43.7	0	0	0	0	114.9
109	N	34.1	Very low	42.5	Very low	152 Å²	152	124.5 Å²	124.5	81%	0.813	66%	0.663	S	S	*	*			trans	-114.8	25.2	-160.4	-123.9	3.5	0	0	0	116.2
110	R	33.5	Very low	43.9	Very low	242 Å²	242	116 Å²	116	91%	0.913	63%	0.631	S	S	*	*			trans	-130	63.2	-179.5	-73.9	-175.7	174.6	179.1	-0.4	113.2
111	Q	33.4	Very low	45.4	Very low	202 Å²	202	113.2 Å²	113.2	94%	0.944	62%	0.624	S	S	*	*			trans	-157.5	75	170.3	-111.8	161.5	22.7	0	0	112.2
112	A	32.4	Very low	47	Very low	91 Å²	91	115.8 Å²	115.8	75%	0.752	63%	0.627	S	S	*	*			trans	-162.9	87.4	162.9	0	0	0	0	0	110.2
113	N	35.3	Very low	48.7	Very low	158 Å²	158	113.3 Å²	113.3	85%	0.845	61%	0.605	S	S	*	*			trans	171.6	77.7	155.7	-88.6	-14.8	0	0	0	109.1
114	G	39	Very low	50.5	Low	61 Å²	61	103.6 Å²	103.6	63%	0.629	57%	0.569	S	S	*	*			trans	-138.6	59.1	-165.5	0	0	0	0	0	115.3
115	S	47.5	Very low	52.4	Low	118 Å²	118	100.8 Å²	100.8	83%	0.825	56%	0.563	S	S	*	*	S	Bend	trans	-117.4	-33.9	167.2	-164.4	0	0	0	0	114.2
116	S	48.4	Very low	54.1	Low	84 Å²	84	106.8 Å²	106.8	59%	0.587	58%	0.575	S	S	*	*	S	Bend	trans	-86.8	-24.8	168.8	-73.5	0	0	0	0	113.8	D118	S116-D118 PolarHBondContact O-N 2.89Å
117	N	59.2	Low	56	Low	65 Å²	65	102 Å²	102	35%	0.348	55%	0.549	S	S	.	.	H	α-helix	trans	-66.7	-22	-173.9	-136.6	-25.8	0	0	0	112.7	N121	N117-N121 VanDerWaalsContact O-CB 3.25Å; N117-N121 WeakPolarHBondContact O-CB 3.48Å; N117-N121 PolarHBondContact O-N 2.9Å; N117-N121 PolarHBondContact O-ND2 3.37Å; N117-N121 PolarHBondContact OD1-ND2 3.09Å
118	D	67.8	Low	57.7	Low	84 Å²	84	97 Å²	97	45%	0.449	54%	0.535	S	S	.	.	H	α-helix	trans	-75.2	-33.4	-167.4	-122.4	37.4	0	0	0	114.1	S116 K122	S116-D118 PolarHBondContact O-N 2.89Å; D118-K122 WeakPolarHBondContact O-CB 3.36Å; D118-K122 WeakPolarHBondContact O-CD 3.46Å; D118-K122 WeakPolarHBondContact O-CG 3.33Å; D118-K122 PolarHBondContact O-N 3.08Å; D118-K122 IonicContact OD2-NZ 3.69Å; D118-K122 PolarHBondContact OD2-NZ 3.4Å
119	E	71.2	Confident	59.2	Low	94 Å²	94	92.4 Å²	92.4	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-77.7	-44	-176.5	-69.4	-174.8	131.7	0	0	112.4	K122 F123 W142 R146	E119-K122 PolarHBondContact O-N 3.3Å; E119-F123 PolarHBondContact O-N 3.27Å; E119-W142 HydrophobicContact CB-CH2 4.39Å; E119-R146 IonicContact OE1-NH2 3.09Å; E119-R146 PolarHBondContact OE1-NH2 3.49Å; E119-R146 IonicContact OE2-CZ 2.79Å; E119-R146 IonicContact OE2-NH1 2.69Å; E119-R146 PolarHBondContact OE2-NH1 3.3Å; E119-R146 IonicContact OE2-NH2 3.78Å; E119-R146 PolarHBondContact OE2-NH2 3.38Å
120	Y	74.8	Confident	60.8	Low	5 Å²	5	90.2 Å²	90.2	2%	0.02	49%	0.486	C	S	.	.	H	α-helix	trans	-64.8	-42.5	174.7	-178.9	-113.2	0	0	0	111	K122 F123 L124 A138 E139 W142	Y120-K122 VanDerWaalsContact C-N 3.32Å; Y120-K122 PolarHBondContact O-N 3.1Å; Y120-F123 HydrophobicContact CD2-CD1 4.37Å; Y120-F123 HydrophobicContact CE2-CD1 4.33Å; Y120-F123 WeakPolarHBondContact O-CB 3.31Å; Y120-F123 PolarHBondContact O-N 3.42Å; Y120-F123 VanDerWaalsContact O-N 3.14Å; Y120-L124 HydrophobicContact CD1-CD1 3.88Å; Y120-L124 HydrophobicContact CD1-CG 4.37Å; Y120-L124 HydrophobicContact CE1-CD1 3.33Å; Y120-L124 HydrophobicContact CE1-CG 3.93Å; Y120-L124 HydrophobicContact CE2-CG 4.25Å; Y120-L124 PolarHBondContact O-N 3.34Å; Y120-A138 VanDerWaalsContact OH-CB 3.24Å; Y120-A138 WeakPolarHBondContact OH-CB 3.43Å; Y120-E139 HydrophobicContact CD1-CB 3.78Å; Y120-E139 HydrophobicContact CD1-CG 3.69Å; Y120-E139 HydrophobicContact CE1-CB 3.6Å; Y120-E139 HydrophobicContact CE1-CG 4.07Å; Y120-E139 HydrophobicContact CG-CB 4.42Å; Y120-E139 HydrophobicContact CG-CG 4.1Å; Y120-W142 HydrophobicContact CD2-CB 3.72Å; Y120-W142 AromaticContact CD2-CD2 3.65Å; Y120-W142 HydrophobicContact CD2-CD2 3.65Å; Y120-W142 AromaticContact CD2-CE3 3.97Å; Y120-W142 HydrophobicContact CD2-CE3 3.97Å; Y120-W142 AromaticContact CD2-CG 3.52Å; Y120-W142 HydrophobicContact CD2-CG 3.52Å; Y120-W142 HydrophobicContact CE2-CB 3.63Å; Y120-W142 HydrophobicContact CE2-CD2 4.34Å; Y120-W142 AromaticContact CE2-CG 3.73Å; Y120-W142 HydrophobicContact CE2-CG 3.73Å
121	N	74.9	Confident	62.5	Low	41 Å²	41	85.3 Å²	85.3	22%	0.219	48%	0.478	C	S	.	.	H	α-helix	trans	-63.3	-34.9	174.1	-81.3	-55.8	0	0	0	113	N117 S125	N117-N121 VanDerWaalsContact O-CB 3.25Å; N117-N121 WeakPolarHBondContact O-CB 3.48Å; N117-N121 PolarHBondContact O-N 2.9Å; N117-N121 PolarHBondContact O-ND2 3.37Å; N117-N121 PolarHBondContact OD1-ND2 3.09Å; N121-S125 VanDerWaalsContact O-CB 3.27Å; N121-S125 WeakPolarHBondContact O-CB 3.43Å; N121-S125 PolarHBondContact O-N 3.08Å; N121-S125 PolarHBondContact O-OG 3.24Å
122	K	78.1	Confident	64.1	Low	120 Å²	120	77.4 Å²	77.4	52%	0.522	44%	0.442	S	S	.	.	H	α-helix	trans	-65.3	-40	172.6	-80.5	166.6	-170	163.1	0	111.8	D118 E119 Y120 S125 R126	D118-K122 WeakPolarHBondContact O-CB 3.36Å; D118-K122 WeakPolarHBondContact O-CD 3.46Å; D118-K122 WeakPolarHBondContact O-CG 3.33Å; D118-K122 PolarHBondContact O-N 3.08Å; D118-K122 IonicContact OD2-NZ 3.69Å; D118-K122 PolarHBondContact OD2-NZ 3.4Å; E119-K122 PolarHBondContact O-N 3.3Å; Y120-K122 VanDerWaalsContact C-N 3.32Å; Y120-K122 PolarHBondContact O-N 3.1Å; K122-S125 PolarHBondContact O-N 3.47Å; K122-R126 PolarHBondContact O-N 2.93Å
123	F	77.1	Confident	65.7	Low	28 Å²	28	73.9 Å²	73.9	12%	0.123	41%	0.41	C	S	.	.	H	α-helix	trans	-63.6	-49.7	173.8	168.8	-103.4	0	0	0	111.8	E119 Y120 S125 R126 L127 W142 E156 L159	E119-F123 PolarHBondContact O-N 3.27Å; Y120-F123 HydrophobicContact CD2-CD1 4.37Å; Y120-F123 HydrophobicContact CE2-CD1 4.33Å; Y120-F123 WeakPolarHBondContact O-CB 3.31Å; Y120-F123 PolarHBondContact O-N 3.42Å; Y120-F123 VanDerWaalsContact O-N 3.14Å; F123-S125 VanDerWaalsContact C-N 3.26Å; F123-S125 PolarHBondContact O-N 3.41Å; F123-R126 WeakPolarHBondContact O-CB 3.26Å; F123-R126 PolarHBondContact O-N 3.42Å; F123-L127 HydrophobicContact CD1-CD1 4.29Å; F123-L127 HydrophobicContact CE1-CD1 3.43Å; F123-L127 VanDerWaalsContact CE1-CD1 3.43Å; F123-L127 HydrophobicContact CE1-CG 4.34Å; F123-L127 HydrophobicContact CE2-CD1 3.84Å; F123-L127 HydrophobicContact CE2-CG 4.04Å; F123-L127 HydrophobicContact CZ-CD1 3.15Å; F123-L127 HydrophobicContact CZ-CG 3.87Å; F123-L127 PolarHBondContact O-N 3.32Å; F123-W142 HydrophobicContact CB-CZ2 4.21Å; F123-W142 AromaticContact CD1-CD1 3.95Å; F123-W142 AromaticContact CD1-NE1 3.56Å; F123-W142 AromaticContact CE1-CD1 3.92Å; F123-W142 AromaticContact CE1-NE1 3.78Å; F123-W142 HydrophobicContact CG-CZ2 4.41Å; F123-W142 AromaticContact CG-NE1 3.79Å; F123-E156 HydrophobicContact CE1-CG 4.24Å; F123-E156 HydrophobicContact CE2-CB 3.95Å; F123-E156 VanDerWaalsContact CE2-CD 3.47Å; F123-E156 HydrophobicContact CE2-CG 3.55Å; F123-E156 WeakPolarHBondContact CE2-OE1 3.48Å; F123-E156 HydrophobicContact CZ-CB 3.66Å; F123-E156 HydrophobicContact CZ-CG 3.35Å; F123-L159 HydrophobicContact CE1-CD1 3.96Å
124	L	75.6	Confident	67.1	Low	3 Å²	3	69.8 Å²	69.8	2%	0.016	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-36.1	175.2	-75.5	179.9	0	0	0	112.7	Y120 L127 G128 A129 K130 I133	Y120-L124 HydrophobicContact CD1-CD1 3.88Å; Y120-L124 HydrophobicContact CD1-CG 4.37Å; Y120-L124 HydrophobicContact CE1-CD1 3.33Å; Y120-L124 HydrophobicContact CE1-CG 3.93Å; Y120-L124 HydrophobicContact CE2-CG 4.25Å; Y120-L124 PolarHBondContact O-N 3.34Å; L124-L127 PolarHBondContact O-N 3.32Å; L124-G128 PolarHBondContact O-N 3.23Å; L124-A129 HydrophobicContact CD2-CB 4.17Å; L124-A129 PolarHBondContact O-N 2.87Å; L124-K130 HydrophobicContact CB-CB 4.24Å; L124-K130 PolarHBondContact O-N 3.05Å; L124-I133 WeakPolarHBondContact CD1-O 3.45Å; L124-I133 HydrophobicContact CD2-CB 4.16Å
125	S	77.2	Confident	68.4	Low	65 Å²	65	70.9 Å²	70.9	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-36.8	175	-58.1	0	0	0	0	111.8	N121 K122 F123 G128	N121-S125 VanDerWaalsContact O-CB 3.27Å; N121-S125 WeakPolarHBondContact O-CB 3.43Å; N121-S125 PolarHBondContact O-N 3.08Å; N121-S125 PolarHBondContact O-OG 3.24Å; K122-S125 PolarHBondContact O-N 3.47Å; F123-S125 VanDerWaalsContact C-N 3.26Å; F123-S125 PolarHBondContact O-N 3.41Å; S125-G128 PolarHBondContact O-N 2.95Å
126	R	74.8	Confident	69.4	Low	228 Å²	228	70.2 Å²	70.2	86%	0.86	39%	0.387	S	S	*	.	H	α-helix	trans	-66.6	-37.2	173.7	-80.1	177.8	170.4	168.8	-2.4	112.6	K122 F123 G128	K122-R126 PolarHBondContact O-N 2.93Å; F123-R126 WeakPolarHBondContact O-CB 3.26Å; F123-R126 PolarHBondContact O-N 3.42Å; R126-G128 PolarHBondContact O-N 2.95Å
127	L	71.4	Confident	70.6	Confident	45 Å²	45	69.3 Å²	69.3	24%	0.236	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.1	173.7	-74.4	-177.6	0	0	0	113.7	F123 L124 A129 L159 E160	F123-L127 HydrophobicContact CD1-CD1 4.29Å; F123-L127 HydrophobicContact CE1-CD1 3.43Å; F123-L127 VanDerWaalsContact CE1-CD1 3.43Å; F123-L127 HydrophobicContact CE1-CG 4.34Å; F123-L127 HydrophobicContact CE2-CD1 3.84Å; F123-L127 HydrophobicContact CE2-CG 4.04Å; F123-L127 HydrophobicContact CZ-CD1 3.15Å; F123-L127 HydrophobicContact CZ-CG 3.87Å; F123-L127 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 3.32Å; L127-A129 HydrophobicContact CB-CB 3.98Å; L127-A129 PolarHBondContact O-N 2.97Å; L127-L159 HydrophobicContact CD1-CB 4.11Å; L127-E160 HydrophobicContact CD2-CB 3.74Å; L127-E160 HydrophobicContact CD2-CG 3.85Å
128	G	68.7	Low	71.4	Confident	54 Å²	54	66.7 Å²	66.7	56%	0.557	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	19.1	-170.5	0	0	0	0	0	113.4	L124 S125 R126	L124-G128 PolarHBondContact O-N 3.23Å; S125-G128 PolarHBondContact O-N 2.95Å; R126-G128 PolarHBondContact O-N 2.95Å
129	A	68.2	Low	71.8	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.358	C	S	.	.			trans	-104.8	7.7	-173	0	0	0	0	0	113.2	L124 L127 D131 I132 I133	L124-A129 HydrophobicContact CD2-CB 4.17Å; L124-A129 PolarHBondContact O-N 2.87Å; L127-A129 HydrophobicContact CB-CB 3.98Å; L127-A129 PolarHBondContact O-N 2.97Å; A129-D131 VanDerWaalsContact C-N 3.26Å; A129-D131 PolarHBondContact O-N 3.48Å; A129-I132 HydrophobicContact CB-CB 4.43Å; A129-I132 PolarHBondContact O-N 3.02Å; A129-I133 HydrophobicContact CB-CD1 3.98Å; A129-I133 HydrophobicContact CB-CG1 4.12Å; A129-I133 PolarHBondContact O-N 3.06Å
130	K	69.2	Low	72.1	Confident	106 Å²	106	68.5 Å²	68.5	46%	0.461	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-40.2	-178.2	-166.5	-178.4	-179.6	-177.2	0	113.1	L124 I132	L124-K130 HydrophobicContact CB-CB 4.24Å; L124-K130 PolarHBondContact O-N 3.05Å; K130-I132 VanDerWaalsContact C-N 3.35Å
131	D	68.3	Low	72.3	Confident	139 Å²	139	71.5 Å²	71.5	74%	0.743	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	7.7	179.8	-51	-33.8	0	0	0	113	A129 R170	A129-D131 VanDerWaalsContact C-N 3.26Å; A129-D131 PolarHBondContact O-N 3.48Å; D131-R170 PolarHBondContact O-NH1 2.9Å
132	I	66.9	Low	72.6	Confident	37 Å²	37	70.3 Å²	70.3	19%	0.19	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-41.8	-175.2	-56.2	179.9	0	0	0	110.4	A129 K130 I166 K167	A129-I132 HydrophobicContact CB-CB 4.43Å; A129-I132 PolarHBondContact O-N 3.02Å; K130-I132 VanDerWaalsContact C-N 3.35Å; I132-I166 HydrophobicContact CG2-CB 3.61Å; I132-I166 HydrophobicContact CG2-CD1 3.63Å; I132-I166 HydrophobicContact CG2-CG1 4.23Å; I132-I166 HydrophobicContact CG2-CG2 3.48Å; I132-I166 VanDerWaalsContact CG2-CG2 3.48Å; I132-K167 HydrophobicContact CD1-CB 4.12Å
133	I	66.7	Low	72.6	Confident	17 Å²	17	67.8 Å²	67.8	9%	0.087	37%	0.366	C	S	.	.			trans	-123.8	71.4	-173.6	-50.6	179.3	0	0	0	108.2	L124 A129 A138 L159	L124-I133 WeakPolarHBondContact CD1-O 3.45Å; L124-I133 HydrophobicContact CD2-CB 4.16Å; A129-I133 HydrophobicContact CB-CD1 3.98Å; A129-I133 HydrophobicContact CB-CG1 4.12Å; A129-I133 PolarHBondContact O-N 3.06Å; I133-A138 HydrophobicContact CG2-CB 3.94Å; I133-L159 HydrophobicContact CD1-CB 4.08Å; I133-L159 HydrophobicContact CD1-CD2 3.93Å; I133-L159 WeakPolarHBondContact CD1-O 3.48Å; I133-L159 HydrophobicContact CG2-CD2 4.07Å
134	G	65	Low	72.7	Confident	71 Å²	71	69.6 Å²	69.6	73%	0.732	38%	0.381	S	S	*	.			trans	-94.6	16.8	177.3	0	0	0	0	0	114.1
135	D	66.7	Low	72.8	Confident	85 Å²	85	70.9 Å²	70.9	46%	0.455	39%	0.388	S	S	.	.			trans	-76	125.8	-176.1	-168.1	-14.6	0	0	0	110.8	S137 A138 E139	D135-S137 PolarHBondContact O-N 2.9Å; D135-S137 VanDerWaalsContact O-N 3.14Å; D135-S137 VanDerWaalsContact OD1-CB 3.26Å; D135-S137 WeakPolarHBondContact OD1-CB 3.44Å; D135-S137 PolarHBondContact OD1-N 3Å; D135-S137 PolarHBondContact OD1-OG 3.27Å; D135-S137 PolarHBondContact OD2-OG 3.07Å; D135-A138 HydrophobicContact CB-CB 4.47Å; D135-A138 PolarHBondContact O-N 3.41Å; D135-E139 PolarHBondContact O-N 3.17Å
136	T	67.8	Low	72.8	Confident	104 Å²	104	73.3 Å²	73.3	64%	0.638	39%	0.387	S	S	*	.	H	α-helix	trans	-55.9	-25.7	172.3	30.2	0	0	0	0	112	Y140	T136-Y140 WeakPolarHBondContact O-CB 3.35Å; T136-Y140 PolarHBondContact O-N 3.1Å
137	S	73.7	Confident	72.8	Confident	64 Å²	64	73.6 Å²	73.6	45%	0.448	39%	0.388	S	S	.	.	H	α-helix	trans	-66.5	-42.3	174.8	-46.5	0	0	0	0	112	D135 Y140 I141	D135-S137 PolarHBondContact O-N 2.9Å; D135-S137 VanDerWaalsContact O-N 3.14Å; D135-S137 VanDerWaalsContact OD1-CB 3.26Å; D135-S137 WeakPolarHBondContact OD1-CB 3.44Å; D135-S137 PolarHBondContact OD1-N 3Å; D135-S137 PolarHBondContact OD1-OG 3.27Å; D135-S137 PolarHBondContact OD2-OG 3.07Å; S137-Y140 PolarHBondContact O-N 2.88Å; S137-I141 VanDerWaalsContact O-CG1 3.26Å; S137-I141 WeakPolarHBondContact O-CG1 3.39Å; S137-I141 PolarHBondContact O-N 2.99Å
138	A	75.9	Confident	73.2	Confident	10 Å²	10	76.3 Å²	76.3	8%	0.083	40%	0.4	C	S	.	.	H	α-helix	trans	-69.6	-37.5	178.9	0	0	0	0	0	111.2	Y120 I133 D135 I141 W142 F155	Y120-A138 VanDerWaalsContact OH-CB 3.24Å; Y120-A138 WeakPolarHBondContact OH-CB 3.43Å; I133-A138 HydrophobicContact CG2-CB 3.94Å; D135-A138 HydrophobicContact CB-CB 4.47Å; D135-A138 PolarHBondContact O-N 3.41Å; A138-I141 PolarHBondContact O-N 3Å; A138-W142 VanDerWaalsContact O-CB 3.3Å; A138-W142 WeakPolarHBondContact O-CB 3.34Å; A138-W142 PolarHBondContact O-N 3.31Å; A138-F155 HydrophobicContact CB-CZ 4.3Å
139	E	75.4	Confident	73.7	Confident	50 Å²	50	78.6 Å²	78.6	23%	0.234	41%	0.405	C	S	.	.	H	α-helix	trans	-60	-46.8	172.1	-175.5	-179.5	-178.5	0	0	111.5	Y120 D135 W142 H143	Y120-E139 HydrophobicContact CD1-CB 3.78Å; Y120-E139 HydrophobicContact CD1-CG 3.69Å; Y120-E139 HydrophobicContact CE1-CB 3.6Å; Y120-E139 HydrophobicContact CE1-CG 4.07Å; Y120-E139 HydrophobicContact CG-CB 4.42Å; Y120-E139 HydrophobicContact CG-CG 4.1Å; D135-E139 PolarHBondContact O-N 3.17Å; E139-W142 PolarHBondContact O-N 3.29Å; E139-H143 PolarHBondContact O-CD2 3.01Å; E139-H143 PolarHBondContact O-N 3.28Å
140	Y	77.6	Confident	74.2	Confident	166 Å²	166	83.5 Å²	83.5	65%	0.651	44%	0.435	S	S	*	.	H	α-helix	trans	-60.7	-48.4	177.8	179.4	-100.1	0	0	0	112	T136 S137 W142 H143 C144	T136-Y140 WeakPolarHBondContact O-CB 3.35Å; T136-Y140 PolarHBondContact O-N 3.1Å; S137-Y140 PolarHBondContact O-N 2.88Å; Y140-W142 VanDerWaalsContact C-N 3.35Å; Y140-W142 PolarHBondContact O-N 3.04Å; Y140-H143 PolarHBondContact O-N 3.38Å; Y140-C144 PolarHBondContact O-N 2.99Å; Y140-C144 PolarHBondContact O-SG 2.86Å; Y140-C144 VanDerWaalsContact O-SG 3.37Å
141	I	78.9	Confident	74.9	Confident	69 Å²	69	81.7 Å²	81.7	35%	0.354	43%	0.43	S	S	.	.	H	α-helix	trans	-62.5	-43.6	179.1	-66.3	165.2	0	0	0	110.5	S137 A138 H143 C144 L145 F155	S137-I141 VanDerWaalsContact O-CG1 3.26Å; S137-I141 WeakPolarHBondContact O-CG1 3.39Å; S137-I141 PolarHBondContact O-N 2.99Å; A138-I141 PolarHBondContact O-N 3Å; I141-H143 VanDerWaalsContact C-N 3.29Å; I141-H143 PolarHBondContact O-N 3.34Å; I141-C144 PolarHBondContact O-N 3.38Å; I141-C144 VanDerWaalsContact O-N 3.15Å; I141-L145 HydrophobicContact CG2-CD1 3.64Å; I141-L145 HydrophobicContact CG2-CG 4.09Å; I141-L145 WeakPolarHBondContact O-CB 3.45Å; I141-L145 VanDerWaalsContact O-CG 3.3Å; I141-L145 WeakPolarHBondContact O-CG 3.33Å; I141-L145 PolarHBondContact O-N 2.87Å; I141-F155 HydrophobicContact CB-CE1 4.24Å; I141-F155 HydrophobicContact CB-CE2 4.28Å; I141-F155 HydrophobicContact CB-CZ 3.88Å; I141-F155 HydrophobicContact CD1-CE2 4.44Å; I141-F155 HydrophobicContact CG2-CD1 4.2Å; I141-F155 HydrophobicContact CG2-CD2 3.95Å; I141-F155 HydrophobicContact CG2-CE1 3.91Å; I141-F155 HydrophobicContact CG2-CE2 3.66Å; I141-F155 HydrophobicContact CG2-CG 4.21Å; I141-F155 HydrophobicContact CG2-CZ 3.64Å
142	W	82.3	Confident	75.6	Confident	16 Å²	16	76.3 Å²	76.3	6%	0.061	40%	0.401	C	S	.	.	H	α-helix	trans	-59	-41.8	177.8	-168.2	91.2	0	0	0	111.7	E119 Y120 F123 A138 E139 Y140 L145 R146 L152 F155 E156	E119-W142 HydrophobicContact CB-CH2 4.39Å; Y120-W142 HydrophobicContact CD2-CB 3.72Å; Y120-W142 AromaticContact CD2-CD2 3.65Å; Y120-W142 HydrophobicContact CD2-CD2 3.65Å; Y120-W142 AromaticContact CD2-CE3 3.97Å; Y120-W142 HydrophobicContact CD2-CE3 3.97Å; Y120-W142 AromaticContact CD2-CG 3.52Å; Y120-W142 HydrophobicContact CD2-CG 3.52Å; Y120-W142 HydrophobicContact CE2-CB 3.63Å; Y120-W142 HydrophobicContact CE2-CD2 4.34Å; Y120-W142 AromaticContact CE2-CG 3.73Å; Y120-W142 HydrophobicContact CE2-CG 3.73Å; F123-W142 HydrophobicContact CB-CZ2 4.21Å; F123-W142 AromaticContact CD1-CD1 3.95Å; F123-W142 AromaticContact CD1-NE1 3.56Å; F123-W142 AromaticContact CE1-CD1 3.92Å; F123-W142 AromaticContact CE1-NE1 3.78Å; F123-W142 HydrophobicContact CG-CZ2 4.41Å; F123-W142 AromaticContact CG-NE1 3.79Å; A138-W142 VanDerWaalsContact O-CB 3.3Å; A138-W142 WeakPolarHBondContact O-CB 3.34Å; A138-W142 PolarHBondContact O-N 3.31Å; E139-W142 PolarHBondContact O-N 3.29Å; Y140-W142 VanDerWaalsContact C-N 3.35Å; Y140-W142 PolarHBondContact O-N 3.04Å; W142-L145 PolarHBondContact O-N 3.21Å; W142-R146 HydrophobicContact CZ3-CG 4.42Å; W142-R146 PolarHBondContact O-N 3.1Å; W142-L152 HydrophobicContact CG-CD1 4.25Å; W142-F155 HydrophobicContact CB-CE1 4.11Å; W142-E156 PolarHBondContact NE1-OE1 3.47Å
143	H	76.7	Confident	76.4	Confident	67 Å²	67	83 Å²	83	31%	0.31	42%	0.424	S	S	.	.	H	α-helix	trans	-66.3	-40.6	174.4	-92	-68.1	0	0	0	113.4	E139 Y140 I141 R146	E139-H143 PolarHBondContact O-CD2 3.01Å; E139-H143 PolarHBondContact O-N 3.28Å; Y140-H143 PolarHBondContact O-N 3.38Å; I141-H143 VanDerWaalsContact C-N 3.29Å; I141-H143 PolarHBondContact O-N 3.34Å; H143-R146 PolarHBondContact O-N 3.44Å
144	C	79.1	Confident	77.3	Confident	65 Å²	65	88.4 Å²	88.4	44%	0.439	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-39.3	176.6	-72.7	0	0	0	0	112.4	Y140 I141 R146	Y140-C144 PolarHBondContact O-N 2.99Å; Y140-C144 PolarHBondContact O-SG 2.86Å; Y140-C144 VanDerWaalsContact O-SG 3.37Å; I141-C144 PolarHBondContact O-N 3.38Å; I141-C144 VanDerWaalsContact O-N 3.15Å; C144-R146 VanDerWaalsContact C-N 3.28Å; C144-R146 PolarHBondContact O-N 3.01Å
145	L	79.2	Confident	78.2	Confident	30 Å²	30	86.2 Å²	86.2	16%	0.157	42%	0.419	C	S	.	.	H	α-helix	trans	-78	-6.9	-176.3	-67.2	179.4	0	0	0	114	I141 W142 R147 E148 L151 L152 F155	I141-L145 HydrophobicContact CG2-CD1 3.64Å; I141-L145 HydrophobicContact CG2-CG 4.09Å; I141-L145 WeakPolarHBondContact O-CB 3.45Å; I141-L145 VanDerWaalsContact O-CG 3.3Å; I141-L145 WeakPolarHBondContact O-CG 3.33Å; I141-L145 PolarHBondContact O-N 2.87Å; W142-L145 PolarHBondContact O-N 3.21Å; L145-R147 PolarHBondContact O-N 2.97Å; L145-E148 CarbonylContact O-C 3.42Å; L145-E148 PolarHBondContact O-N 3.31Å; L145-E148 VanDerWaalsContact O-O 3.12Å; L145-L151 HydrophobicContact CD2-CB 3.69Å; L145-L151 HydrophobicContact CD2-CD1 3.92Å; L145-L151 HydrophobicContact CD2-CG 4.49Å; L145-L152 HydrophobicContact CB-CB 4.15Å; L145-L152 HydrophobicContact CB-CD1 3.95Å; L145-F155 HydrophobicContact CD1-CB 3.54Å; L145-F155 HydrophobicContact CD1-CD1 4.08Å; L145-F155 HydrophobicContact CD1-CD2 4.4Å; L145-F155 HydrophobicContact CD1-CG 3.77Å
146	R	77.4	Confident	79	Confident	116 Å²	116	84.6 Å²	84.6	44%	0.438	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.5	174.7	-86.7	-174.4	137.3	177.8	-4.4	114.3	E119 W142 H143 C144	E119-R146 IonicContact OE1-NH2 3.09Å; E119-R146 PolarHBondContact OE1-NH2 3.49Å; E119-R146 IonicContact OE2-CZ 2.79Å; E119-R146 IonicContact OE2-NH1 2.69Å; E119-R146 PolarHBondContact OE2-NH1 3.3Å; E119-R146 IonicContact OE2-NH2 3.78Å; E119-R146 PolarHBondContact OE2-NH2 3.38Å; W142-R146 HydrophobicContact CZ3-CG 4.42Å; W142-R146 PolarHBondContact O-N 3.1Å; H143-R146 PolarHBondContact O-N 3.44Å; C144-R146 VanDerWaalsContact C-N 3.28Å; C144-R146 PolarHBondContact O-N 3.01Å
147	R	74.4	Confident	79.9	Confident	234 Å²	234	83.4 Å²	83.4	88%	0.883	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.8	177.1	-65.7	-176.5	176.9	-176.5	-0.3	113.4	L145	L145-R147 PolarHBondContact O-N 2.97Å
148	E	79.9	Confident	80.4	Confident	103 Å²	103	85.4 Å²	85.4	48%	0.481	40%	0.402	S	S	.	.			trans	-129.5	92.7	-179.2	-71	-163.1	-175.3	0	0	111.6	L145 T150 L151 L152	L145-E148 CarbonylContact O-C 3.42Å; L145-E148 PolarHBondContact O-N 3.31Å; L145-E148 VanDerWaalsContact O-O 3.12Å; E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 2.89Å; E148-L151 HydrophobicContact CB-CB 4.3Å; E148-L151 HydrophobicContact CB-CG 4.49Å; E148-L151 PolarHBondContact O-N 2.93Å; E148-L151 WeakPolarHBondContact OE2-CD1 3.4Å; E148-L151 WeakPolarHBondContact OE2-CG 3.41Å; E148-L152 PolarHBondContact O-N 2.72Å
149	P	77.8	Confident	80.8	Confident	102 Å²	102	85.3 Å²	85.3	66%	0.662	40%	0.4	S	S	*	.	H	α-helix	trans	-64.3	-26.4	-171	21.8	-31	0	0	0	114.2	R153	P149-R153 PolarHBondContact O-N 3.17Å
150	T	79.9	Confident	81.2	Confident	102 Å²	102	88.2 Å²	88.2	63%	0.626	41%	0.414	S	S	*	.	H	α-helix	trans	-70.7	-44.9	177	45.7	0	0	0	0	112.2	E148 Q154	E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 2.89Å; T150-Q154 WeakPolarHBondContact O-CG 3.46Å; T150-Q154 PolarHBondContact O-N 3.38Å
151	L	82.4	Confident	81.6	Confident	68 Å²	68	84.5 Å²	84.5	36%	0.356	41%	0.409	S	S	.	.	H	α-helix	trans	-70.7	-37.6	176.6	-70.7	-172.3	0	0	0	111.6	L145 E148 R153 Q154 F155	L145-L151 HydrophobicContact CD2-CB 3.69Å; L145-L151 HydrophobicContact CD2-CD1 3.92Å; L145-L151 HydrophobicContact CD2-CG 4.49Å; E148-L151 HydrophobicContact CB-CB 4.3Å; E148-L151 HydrophobicContact CB-CG 4.49Å; E148-L151 PolarHBondContact O-N 2.93Å; E148-L151 WeakPolarHBondContact OE2-CD1 3.4Å; E148-L151 WeakPolarHBondContact OE2-CG 3.41Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 2.98Å; L151-Q154 PolarHBondContact O-N 2.97Å; L151-F155 WeakPolarHBondContact O-CB 3.29Å; L151-F155 PolarHBondContact O-N 3.38Å
152	L	83.8	Confident	81.9	Confident	26 Å²	26	85.3 Å²	85.3	14%	0.136	41%	0.413	C	S	.	.	H	α-helix	trans	-56.2	-50	174.2	-174.9	63.5	0	0	0	110.3	W142 L145 E148 Q154 F155 E156	W142-L152 HydrophobicContact CG-CD1 4.25Å; L145-L152 HydrophobicContact CB-CB 4.15Å; L145-L152 HydrophobicContact CB-CD1 3.95Å; E148-L152 PolarHBondContact O-N 2.72Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.36Å; L152-F155 WeakPolarHBondContact O-CB 3.45Å; L152-F155 PolarHBondContact O-N 3.02Å; L152-F155 VanDerWaalsContact O-N 3.11Å; L152-E156 HydrophobicContact CD1-CG 4.27Å; L152-E156 HydrophobicContact CG-CG 4.24Å; L152-E156 VanDerWaalsContact O-CG 3.25Å; L152-E156 WeakPolarHBondContact O-CG 3.35Å; L152-E156 PolarHBondContact O-N 3.48Å
153	R	83.4	Confident	81.9	Confident	178 Å²	178	84.9 Å²	84.9	67%	0.672	41%	0.413	S	S	*	.	H	α-helix	trans	-62.1	-35.7	179.4	-162.6	175.5	108	-179.2	5.6	113.3	P149 L151 N157	P149-R153 PolarHBondContact O-N 3.17Å; L151-R153 VanDerWaalsContact C-N 3.34Å; L151-R153 PolarHBondContact O-N 2.98Å; R153-N157 WeakPolarHBondContact O-CB 3.39Å; R153-N157 VanDerWaalsContact O-CG 3.28Å; R153-N157 PolarHBondContact O-N 2.9Å; R153-N157 PolarHBondContact O-OD1 3.5Å
154	Q	85.9	Confident	82.2	Confident	131 Å²	131	84.8 Å²	84.8	61%	0.612	42%	0.421	S	S	*	.	H	α-helix	trans	-66.8	-42.6	174.6	-72.2	179.6	-0.1	0	0	111.7	T150 L151 L152 N157 M158	T150-Q154 WeakPolarHBondContact O-CG 3.46Å; T150-Q154 PolarHBondContact O-N 3.38Å; L151-Q154 PolarHBondContact O-N 2.97Å; L152-Q154 VanDerWaalsContact C-N 3.31Å; L152-Q154 PolarHBondContact O-N 3.36Å; Q154-N157 PolarHBondContact O-N 3.35Å; Q154-M158 PolarHBondContact O-N 3.35Å
155	F	84.3	Confident	82.6	Confident	25 Å²	25	86 Å²	86	11%	0.11	42%	0.42	C	S	.	.	H	α-helix	trans	-65.1	-43.6	176.1	-175.7	-112.4	0	0	0	111.5	A138 I141 W142 L145 L151 L152 N157 M158 L159	A138-F155 HydrophobicContact CB-CZ 4.3Å; I141-F155 HydrophobicContact CB-CE1 4.24Å; I141-F155 HydrophobicContact CB-CE2 4.28Å; I141-F155 HydrophobicContact CB-CZ 3.88Å; I141-F155 HydrophobicContact CD1-CE2 4.44Å; I141-F155 HydrophobicContact CG2-CD1 4.2Å; I141-F155 HydrophobicContact CG2-CD2 3.95Å; I141-F155 HydrophobicContact CG2-CE1 3.91Å; I141-F155 HydrophobicContact CG2-CE2 3.66Å; I141-F155 HydrophobicContact CG2-CG 4.21Å; I141-F155 HydrophobicContact CG2-CZ 3.64Å; W142-F155 HydrophobicContact CB-CE1 4.11Å; L145-F155 HydrophobicContact CD1-CB 3.54Å; L145-F155 HydrophobicContact CD1-CD1 4.08Å; L145-F155 HydrophobicContact CD1-CD2 4.4Å; L145-F155 HydrophobicContact CD1-CG 3.77Å; L151-F155 WeakPolarHBondContact O-CB 3.29Å; L151-F155 PolarHBondContact O-N 3.38Å; L152-F155 WeakPolarHBondContact O-CB 3.45Å; L152-F155 PolarHBondContact O-N 3.02Å; L152-F155 VanDerWaalsContact O-N 3.11Å; F155-N157 PolarHBondContact O-N 2.98Å; F155-M158 WeakPolarHBondContact O-CB 3.36Å; F155-M158 PolarHBondContact O-N 2.99Å; F155-M158 VanDerWaalsContact O-N 3.15Å; F155-L159 HydrophobicContact CD1-CD1 3.94Å; F155-L159 HydrophobicContact CD1-CG 4.35Å; F155-L159 HydrophobicContact CE1-CD1 3.46Å; F155-L159 VanDerWaalsContact CE1-CD1 3.46Å; F155-L159 HydrophobicContact CE1-CD2 4.47Å; F155-L159 HydrophobicContact CE1-CG 4.05Å; F155-L159 HydrophobicContact CE2-CD2 4.26Å; F155-L159 HydrophobicContact CE2-CG 4.37Å; F155-L159 HydrophobicContact CZ-CD1 3.84Å; F155-L159 HydrophobicContact CZ-CD2 4Å; F155-L159 HydrophobicContact CZ-CG 4.06Å; F155-L159 WeakPolarHBondContact O-CG 3.31Å; F155-L159 PolarHBondContact O-N 2.91Å
156	E	83.8	Confident	82.9	Confident	50 Å²	50	88.1 Å²	88.1	23%	0.234	43%	0.431	C	S	.	.	H	α-helix	trans	-60	-44.8	175.6	-66.8	-176.2	153	0	0	111.7	F123 W142 L152 M158 L159 E160	F123-E156 HydrophobicContact CE1-CG 4.24Å; F123-E156 HydrophobicContact CE2-CB 3.95Å; F123-E156 VanDerWaalsContact CE2-CD 3.47Å; F123-E156 HydrophobicContact CE2-CG 3.55Å; F123-E156 WeakPolarHBondContact CE2-OE1 3.48Å; F123-E156 HydrophobicContact CZ-CB 3.66Å; F123-E156 HydrophobicContact CZ-CG 3.35Å; W142-E156 PolarHBondContact NE1-OE1 3.47Å; L152-E156 HydrophobicContact CD1-CG 4.27Å; L152-E156 HydrophobicContact CG-CG 4.24Å; L152-E156 VanDerWaalsContact O-CG 3.25Å; L152-E156 WeakPolarHBondContact O-CG 3.35Å; L152-E156 PolarHBondContact O-N 3.48Å; E156-M158 VanDerWaalsContact C-N 3.32Å; E156-M158 PolarHBondContact O-N 2.93Å; E156-L159 PolarHBondContact O-N 3.3Å; E156-E160 WeakPolarHBondContact O-CB 3.45Å; E156-E160 PolarHBondContact O-N 2.96Å
157	N	85.2	Confident	83.3	Confident	80 Å²	80	88.3 Å²	88.3	43%	0.428	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-36.2	174.4	-75.8	3.6	0	0	0	112.7	R153 Q154 F155 E160 T161	R153-N157 WeakPolarHBondContact O-CB 3.39Å; R153-N157 VanDerWaalsContact O-CG 3.28Å; R153-N157 PolarHBondContact O-N 2.9Å; R153-N157 PolarHBondContact O-OD1 3.5Å; Q154-N157 PolarHBondContact O-N 3.35Å; F155-N157 PolarHBondContact O-N 2.98Å; N157-E160 PolarHBondContact O-N 2.97Å; N157-T161 WeakPolarHBondContact O-CB 3.44Å; N157-T161 PolarHBondContact O-N 2.68Å; N157-T161 PolarHBondContact O-OG1 3.18Å
158	M	85.8	Confident	84	Confident	105 Å²	105	83 Å²	83	52%	0.517	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-46.3	174.9	-175.1	-156.4	-64.4	0	0	110.6	Q154 F155 E156 E160 T161 L162	Q154-M158 PolarHBondContact O-N 3.35Å; F155-M158 WeakPolarHBondContact O-CB 3.36Å; F155-M158 PolarHBondContact O-N 2.99Å; F155-M158 VanDerWaalsContact O-N 3.15Å; E156-M158 VanDerWaalsContact C-N 3.32Å; E156-M158 PolarHBondContact O-N 2.93Å; M158-E160 VanDerWaalsContact C-N 3.31Å; M158-E160 PolarHBondContact O-N 2.87Å; M158-T161 PolarHBondContact O-N 3.28Å; M158-L162 HydrophobicContact CG-CD1 3.91Å; M158-L162 HydrophobicContact CG-CG 4.49Å; M158-L162 WeakPolarHBondContact O-CB 3.46Å; M158-L162 WeakPolarHBondContact O-CG 3.4Å; M158-L162 PolarHBondContact O-N 2.92Å; M158-L162 HydrophobicContact SD-CD1 4.17Å
159	L	84.3	Confident	84.4	Confident	8 Å²	8	82 Å²	82	4%	0.042	42%	0.415	C	S	.	.	H	α-helix	trans	-63.5	-36.8	176.8	-67	-176.3	0	0	0	111.8	F123 L127 I133 F155 E156 G163	F123-L159 HydrophobicContact CE1-CD1 3.96Å; L127-L159 HydrophobicContact CD1-CB 4.11Å; I133-L159 HydrophobicContact CD1-CB 4.08Å; I133-L159 HydrophobicContact CD1-CD2 3.93Å; I133-L159 WeakPolarHBondContact CD1-O 3.48Å; I133-L159 HydrophobicContact CG2-CD2 4.07Å; F155-L159 HydrophobicContact CD1-CD1 3.94Å; F155-L159 HydrophobicContact CD1-CG 4.35Å; F155-L159 HydrophobicContact CE1-CD1 3.46Å; F155-L159 VanDerWaalsContact CE1-CD1 3.46Å; F155-L159 HydrophobicContact CE1-CD2 4.47Å; F155-L159 HydrophobicContact CE1-CG 4.05Å; F155-L159 HydrophobicContact CE2-CD2 4.26Å; F155-L159 HydrophobicContact CE2-CG 4.37Å; F155-L159 HydrophobicContact CZ-CD1 3.84Å; F155-L159 HydrophobicContact CZ-CD2 4Å; F155-L159 HydrophobicContact CZ-CG 4.06Å; F155-L159 WeakPolarHBondContact O-CG 3.31Å; F155-L159 PolarHBondContact O-N 2.91Å; E156-L159 PolarHBondContact O-N 3.3Å; L159-G163 WeakPolarHBondContact O-CA 3.18Å; L159-G163 PolarHBondContact O-N 3.29Å
160	E	82.7	Confident	84.9	Confident	112 Å²	112	84 Å²	84	52%	0.523	41%	0.409	S	S	.	.	H	α-helix	trans	-63.1	-46.9	173.5	-172.2	173.1	-164.2	0	0	111.4	L127 E156 N157 M158 G163 S164	L127-E160 HydrophobicContact CD2-CB 3.74Å; L127-E160 HydrophobicContact CD2-CG 3.85Å; E156-E160 WeakPolarHBondContact O-CB 3.45Å; E156-E160 PolarHBondContact O-N 2.96Å; N157-E160 PolarHBondContact O-N 2.97Å; M158-E160 VanDerWaalsContact C-N 3.31Å; M158-E160 PolarHBondContact O-N 2.87Å; E160-G163 PolarHBondContact O-N 3.33Å; E160-S164 WeakPolarHBondContact O-CB 3.47Å; E160-S164 PolarHBondContact O-N 2.77Å; E160-S164 PolarHBondContact O-OG 3.44Å
161	T	85.8	Confident	85.3	Confident	88 Å²	88	83.4 Å²	83.4	54%	0.54	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-48.8	178.7	-52.1	0	0	0	0	111.1	N157 M158 G163 S164 E165	N157-T161 WeakPolarHBondContact O-CB 3.44Å; N157-T161 PolarHBondContact O-N 2.68Å; N157-T161 PolarHBondContact O-OG1 3.18Å; M158-T161 PolarHBondContact O-N 3.28Å; T161-G163 PolarHBondContact O-N 2.81Å; T161-S164 PolarHBondContact O-N 3.33Å; T161-S164 PolarHBondContact O-OG 2.75Å; T161-E165 PolarHBondContact O-N 2.84Å
162	L	86	Confident	85.7	Confident	85 Å²	85	84.6 Å²	84.6	45%	0.445	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176.9	-75.9	168.3	0	0	0	111.7	M158 S164 E165 I166	M158-L162 HydrophobicContact CG-CD1 3.91Å; M158-L162 HydrophobicContact CG-CG 4.49Å; M158-L162 WeakPolarHBondContact O-CB 3.46Å; M158-L162 WeakPolarHBondContact O-CG 3.4Å; M158-L162 PolarHBondContact O-N 2.92Å; M158-L162 HydrophobicContact SD-CD1 4.17Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.96Å; L162-E165 PolarHBondContact O-N 3.49Å; L162-I166 WeakPolarHBondContact O-CB 3.3Å; L162-I166 WeakPolarHBondContact O-CD1 3.4Å; L162-I166 VanDerWaalsContact O-CG1 3.23Å; L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 3.11Å
163	G	82.3	Confident	86	Confident	7 Å²	7	85.7 Å²	85.7	7%	0.072	42%	0.421	C	S	.	.	H	α-helix	trans	-59.2	-43.2	176.4	0	0	0	0	0	112	L159 E160 T161 K167	L159-G163 WeakPolarHBondContact O-CA 3.18Å; L159-G163 PolarHBondContact O-N 3.29Å; E160-G163 PolarHBondContact O-N 3.33Å; T161-G163 PolarHBondContact O-N 2.81Å; G163-K167 VanDerWaalsContact O-CB 3.29Å; G163-K167 WeakPolarHBondContact O-CB 3.47Å; G163-K167 PolarHBondContact O-N 2.98Å
164	S	83.5	Confident	86.3	Confident	66 Å²	66	80 Å²	80	46%	0.462	41%	0.413	S	S	.	.	H	α-helix	trans	-65.7	-42.2	178	75.2	0	0	0	0	113.1	E160 T161 L162 K167 R168	E160-S164 WeakPolarHBondContact O-CB 3.47Å; E160-S164 PolarHBondContact O-N 2.77Å; E160-S164 PolarHBondContact O-OG 3.44Å; T161-S164 PolarHBondContact O-N 3.33Å; T161-S164 PolarHBondContact O-OG 2.75Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.96Å; S164-K167 PolarHBondContact O-N 3.46Å; S164-R168 WeakPolarHBondContact O-CB 3.31Å; S164-R168 PolarHBondContact O-N 3.18Å
165	E	86.9	Confident	86.7	Confident	89 Å²	89	79.9 Å²	79.9	42%	0.416	41%	0.41	S	S	.	.	H	α-helix	trans	-68.8	-43.2	177.2	-82	-61.5	145.4	0	0	112	T161 L162 K167 R168 V169	T161-E165 PolarHBondContact O-N 2.84Å; L162-E165 PolarHBondContact O-N 3.49Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.29Å; E165-R168 WeakPolarHBondContact O-CB 3.26Å; E165-R168 PolarHBondContact O-N 2.95Å; E165-R168 IonicContact OE1-NE 3.91Å; E165-R168 IonicContact OE2-CZ 3.03Å; E165-R168 IonicContact OE2-NE 2.77Å; E165-R168 PolarHBondContact OE2-NE 3.48Å; E165-R168 IonicContact OE2-NH2 3.8Å; E165-R168 PolarHBondContact OE2-NH2 3.24Å; E165-V169 WeakPolarHBondContact O-CG2 3.5Å; E165-V169 PolarHBondContact O-N 3.2Å
166	I	86	Confident	86.9	Confident	76 Å²	76	85.8 Å²	85.8	39%	0.39	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-41.4	176.5	-64.3	163.2	0	0	0	110.2	I132 L162 V169 R170	I132-I166 HydrophobicContact CG2-CB 3.61Å; I132-I166 HydrophobicContact CG2-CD1 3.63Å; I132-I166 HydrophobicContact CG2-CG1 4.23Å; I132-I166 HydrophobicContact CG2-CG2 3.48Å; I132-I166 VanDerWaalsContact CG2-CG2 3.48Å; L162-I166 WeakPolarHBondContact O-CB 3.3Å; L162-I166 WeakPolarHBondContact O-CD1 3.4Å; L162-I166 VanDerWaalsContact O-CG1 3.23Å; L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 3.11Å; I166-V169 PolarHBondContact O-N 2.97Å; I166-R170 WeakPolarHBondContact O-CB 3.49Å; I166-R170 PolarHBondContact O-N 3.43Å
167	K	85.5	Confident	87.2	Confident	120 Å²	120	90.7 Å²	90.7	52%	0.522	45%	0.453	S	S	.	.	H	α-helix	trans	-59.6	-47.7	174.2	-173.6	177.8	179.1	-179.5	0	111.3	I132 G163 S164 E165 V169 R170 D171	I132-K167 HydrophobicContact CD1-CB 4.12Å; G163-K167 VanDerWaalsContact O-CB 3.29Å; G163-K167 WeakPolarHBondContact O-CB 3.47Å; G163-K167 PolarHBondContact O-N 2.98Å; S164-K167 PolarHBondContact O-N 3.46Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.29Å; K167-V169 PolarHBondContact O-N 3.42Å; K167-R170 PolarHBondContact O-N 2.94Å; K167-D171 WeakPolarHBondContact O-CB 3.46Å; K167-D171 VanDerWaalsContact O-CG 3.23Å; K167-D171 PolarHBondContact O-N 3.32Å
168	R	88.2	Confident	87.4	Confident	123 Å²	123	90.4 Å²	90.4	46%	0.464	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-44.8	177.5	-171.3	-172.8	68.6	77.3	3.2	112.3	S164 E165 D171 L172	S164-R168 WeakPolarHBondContact O-CB 3.31Å; S164-R168 PolarHBondContact O-N 3.18Å; E165-R168 WeakPolarHBondContact O-CB 3.26Å; E165-R168 PolarHBondContact O-N 2.95Å; E165-R168 IonicContact OE1-NE 3.91Å; E165-R168 IonicContact OE2-CZ 3.03Å; E165-R168 IonicContact OE2-NE 2.77Å; E165-R168 PolarHBondContact OE2-NE 3.48Å; E165-R168 IonicContact OE2-NH2 3.8Å; E165-R168 PolarHBondContact OE2-NH2 3.24Å; R168-D171 PolarHBondContact O-N 3.09Å; R168-L172 HydrophobicContact CG-CD1 4.43Å; R168-L172 VanDerWaalsContact NH1-CD1 3.28Å; R168-L172 WeakPolarHBondContact O-CB 3.46Å; R168-L172 WeakPolarHBondContact O-CG 3.47Å; R168-L172 PolarHBondContact O-N 2.94Å
169	V	89.1	Confident	87.7	Confident	82 Å²	82	89.5 Å²	89.5	50%	0.497	46%	0.455	S	S	.	.	H	α-helix	trans	-66.1	-40.7	177.5	173.1	0	0	0	0	111.1	E165 I166 K167 L172 A173	E165-V169 WeakPolarHBondContact O-CG2 3.5Å; E165-V169 PolarHBondContact O-N 3.2Å; I166-V169 PolarHBondContact O-N 2.97Å; K167-V169 PolarHBondContact O-N 3.42Å; V169-L172 PolarHBondContact O-N 3.07Å; V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 3.43Å
170	R	87.5	Confident	87.9	Confident	142 Å²	142	93.3 Å²	93.3	54%	0.536	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-42.8	177.2	-160	-177.7	-138	151.5	2.6	111.6	D131 I166 K167 A173 A174	D131-R170 PolarHBondContact O-NH1 2.9Å; I166-R170 WeakPolarHBondContact O-CB 3.49Å; I166-R170 PolarHBondContact O-N 3.43Å; K167-R170 PolarHBondContact O-N 2.94Å; R170-A173 PolarHBondContact O-N 2.91Å; R170-A174 WeakPolarHBondContact O-CB 3.39Å; R170-A174 PolarHBondContact O-N 2.95Å
171	D	88.5	Confident	88.2	Confident	90 Å²	90	90.3 Å²	90.3	48%	0.481	47%	0.467	S	S	.	.	H	α-helix	trans	-66.1	-41.4	177.3	-67.5	-15.5	0	0	0	111.3	K167 R168 A174 K175	K167-D171 WeakPolarHBondContact O-CB 3.46Å; K167-D171 VanDerWaalsContact O-CG 3.23Å; K167-D171 PolarHBondContact O-N 3.32Å; R168-D171 PolarHBondContact O-N 3.09Å; D171-A174 PolarHBondContact O-N 2.92Å; D171-K175 WeakPolarHBondContact O-CB 3.25Å; D171-K175 PolarHBondContact O-N 3.39Å
172	L	91.9	Very high	88.5	Confident	94 Å²	94	88.7 Å²	88.7	49%	0.492	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-41.6	173.3	-77.4	171	0	0	0	112.3	R168 V169 K175 Y176	R168-L172 HydrophobicContact CG-CD1 4.43Å; R168-L172 VanDerWaalsContact NH1-CD1 3.28Å; R168-L172 WeakPolarHBondContact O-CB 3.46Å; R168-L172 WeakPolarHBondContact O-CG 3.47Å; R168-L172 PolarHBondContact O-N 2.94Å; V169-L172 PolarHBondContact O-N 3.07Å; L172-K175 PolarHBondContact O-N 3.38Å; L172-Y176 WeakPolarHBondContact O-CB 3.35Å; L172-Y176 PolarHBondContact O-N 3.37Å
173	A	90	Very high	88.9	Confident	48 Å²	48	90.7 Å²	90.7	40%	0.397	47%	0.47	S	S	.	.	H	α-helix	trans	-66.7	-38.4	176.4	0	0	0	0	0	111.9	V169 R170 K177	V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 3.43Å; R170-A173 PolarHBondContact O-N 2.91Å; A173-K177 WeakPolarHBondContact O-CB 3.44Å; A173-K177 WeakPolarHBondContact O-CG 3.43Å; A173-K177 PolarHBondContact O-N 3.33Å
174	A	90.3	Very high	89.4	Confident	59 Å²	59	93.6 Å²	93.6	49%	0.488	49%	0.485	S	S	.	.	H	α-helix	trans	-64.7	-43	174.2	0	0	0	0	0	111.4	R170 D171 K177 S178	R170-A174 WeakPolarHBondContact O-CB 3.39Å; R170-A174 PolarHBondContact O-N 2.95Å; D171-A174 PolarHBondContact O-N 2.92Å; A174-K177 PolarHBondContact O-N 3.21Å; A174-S178 WeakPolarHBondContact O-CB 3.44Å; A174-S178 PolarHBondContact O-N 3.04Å
175	K	92.6	Very high	89.8	Confident	129 Å²	129	95.7 Å²	95.7	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-62	-48.7	174.9	-172.4	-179	176.5	-175.8	0	111.8	D171 L172 K177 S178 D179	D171-K175 WeakPolarHBondContact O-CB 3.25Å; D171-K175 PolarHBondContact O-N 3.39Å; L172-K175 PolarHBondContact O-N 3.38Å; K175-K177 VanDerWaalsContact C-N 3.31Å; K175-K177 PolarHBondContact O-N 3.26Å; K175-S178 WeakPolarHBondContact O-CB 3.42Å; K175-S178 PolarHBondContact O-N 3.24Å; K175-S178 VanDerWaalsContact O-N 3.09Å; K175-D179 VanDerWaalsContact O-CG 3.29Å; K175-D179 PolarHBondContact O-N 3.17Å
176	Y	89.9	Confident	90.2	Very high	149 Å²	149	97.7 Å²	97.7	58%	0.584	50%	0.501	S	S	*	.	H	α-helix	trans	-59.9	-40.6	178.6	-171.8	-94.2	0	0	0	112.3	L172 D179 Q180	L172-Y176 WeakPolarHBondContact O-CB 3.35Å; L172-Y176 PolarHBondContact O-N 3.37Å; Y176-D179 PolarHBondContact O-N 3.06Å; Y176-Q180 HydrophobicContact CD1-CG 4.28Å; Y176-Q180 HydrophobicContact CE1-CG 3.94Å; Y176-Q180 VanDerWaalsContact CE1-NE2 3.26Å; Y176-Q180 WeakPolarHBondContact O-CB 3.23Å; Y176-Q180 WeakPolarHBondContact O-CG 2.82Å; Y176-Q180 PolarHBondContact O-N 2.61Å; Y176-Q180 PolarHBondContact OH-NE2 3.18Å
177	K	89.3	Confident	90.6	Very high	152 Å²	152	99 Å²	99	66%	0.661	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-40	173.6	-75.2	-179.4	179.6	-173.4	0	112.7	A173 A174 K175 A181	A173-K177 WeakPolarHBondContact O-CB 3.44Å; A173-K177 WeakPolarHBondContact O-CG 3.43Å; A173-K177 PolarHBondContact O-N 3.33Å; A174-K177 PolarHBondContact O-N 3.21Å; K175-K177 VanDerWaalsContact C-N 3.31Å; K175-K177 PolarHBondContact O-N 3.26Å; K177-A181 WeakPolarHBondContact O-CB 3.47Å; K177-A181 PolarHBondContact O-N 3.16Å
178	S	89.8	Confident	91	Very high	74 Å²	74	100.9 Å²	100.9	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-66.1	-42.2	176.4	-171.5	0	0	0	0	111.9	A174 K175 A181 A182	A174-S178 WeakPolarHBondContact O-CB 3.44Å; A174-S178 PolarHBondContact O-N 3.04Å; K175-S178 WeakPolarHBondContact O-CB 3.42Å; K175-S178 PolarHBondContact O-N 3.24Å; K175-S178 VanDerWaalsContact O-N 3.09Å; S178-A181 PolarHBondContact O-N 3.27Å; S178-A182 WeakPolarHBondContact O-CB 3.24Å; S178-A182 PolarHBondContact O-N 3.07Å
179	D	90.9	Very high	91.3	Very high	87 Å²	87	97.6 Å²	97.6	47%	0.465	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-42.5	178.9	-67.4	-14.9	0	0	0	110.3	K175 Y176 A182 E183	K175-D179 VanDerWaalsContact O-CG 3.29Å; K175-D179 PolarHBondContact O-N 3.17Å; Y176-D179 PolarHBondContact O-N 3.06Å; D179-A182 PolarHBondContact O-N 3.41Å; D179-E183 PolarHBondContact O-N 3.37Å
180	Q	88.5	Confident	91.6	Very high	88 Å²	88	97.8 Å²	97.8	41%	0.411	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-40.2	173.4	-77.1	-167.9	-34.1	0	0	113	Y176 E183 V184	Y176-Q180 HydrophobicContact CD1-CG 4.28Å; Y176-Q180 HydrophobicContact CE1-CG 3.94Å; Y176-Q180 VanDerWaalsContact CE1-NE2 3.26Å; Y176-Q180 WeakPolarHBondContact O-CB 3.23Å; Y176-Q180 WeakPolarHBondContact O-CG 2.82Å; Y176-Q180 PolarHBondContact O-N 2.61Å; Y176-Q180 PolarHBondContact OH-NE2 3.18Å; Q180-E183 PolarHBondContact O-N 3.44Å; Q180-V184 VanDerWaalsContact O-CG2 3.29Å; Q180-V184 WeakPolarHBondContact O-CG2 3.47Å; Q180-V184 PolarHBondContact O-N 3.3Å
181	A	90.3	Very high	92	Very high	49 Å²	49	95.5 Å²	95.5	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.5	0	0	0	0	0	111.4	K177 S178 E183 V184 D185	K177-A181 WeakPolarHBondContact O-CB 3.47Å; K177-A181 PolarHBondContact O-N 3.16Å; S178-A181 PolarHBondContact O-N 3.27Å; A181-E183 PolarHBondContact O-N 3.08Å; A181-V184 PolarHBondContact O-N 3.33Å; A181-D185 PolarHBondContact O-N 3.38Å
182	A	92.3	Very high	92.3	Very high	54 Å²	54	98.3 Å²	98.3	45%	0.446	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-38.9	176.5	0	0	0	0	0	112.8	S178 D179 Q186	S178-A182 WeakPolarHBondContact O-CB 3.24Å; S178-A182 PolarHBondContact O-N 3.07Å; D179-A182 PolarHBondContact O-N 3.41Å; A182-Q186 WeakPolarHBondContact O-CB 3.4Å; A182-Q186 PolarHBondContact O-N 2.83Å
183	E	92.8	Very high	92.4	Very high	127 Å²	127	99 Å²	99	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-63.5	-43.5	174.7	-173.9	178.3	-174.7	0	0	111.5	D179 Q180 A181 Q186 L187	D179-E183 PolarHBondContact O-N 3.37Å; Q180-E183 PolarHBondContact O-N 3.44Å; A181-E183 PolarHBondContact O-N 3.08Å; E183-Q186 PolarHBondContact O-N 2.61Å; E183-L187 WeakPolarHBondContact O-CG 3.3Å; E183-L187 PolarHBondContact O-N 3.3Å
184	V	93	Very high	92.7	Very high	67 Å²	67	102.5 Å²	102.5	41%	0.406	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-45	177.1	170.4	0	0	0	0	111.4	Q180 A181 Q186 L187 Y188	Q180-V184 VanDerWaalsContact O-CG2 3.29Å; Q180-V184 WeakPolarHBondContact O-CG2 3.47Å; Q180-V184 PolarHBondContact O-N 3.3Å; A181-V184 PolarHBondContact O-N 3.33Å; V184-Q186 VanDerWaalsContact C-N 3.29Å; V184-Q186 PolarHBondContact O-N 3.21Å; V184-L187 PolarHBondContact O-N 3.39Å; V184-Y188 HydrophobicContact CG1-CD2 3.58Å; V184-Y188 HydrophobicContact CG1-CE2 3.34Å; V184-Y188 WeakPolarHBondContact O-CD2 3.25Å; V184-Y188 PolarHBondContact O-N 2.85Å
185	D	93.1	Very high	92.9	Very high	111 Å²	111	103.4 Å²	103.4	59%	0.594	53%	0.527	S	S	*	.	H	α-helix	trans	-60.7	-38.9	176.7	-73.6	-20.6	0	0	0	111.7	A181 Y188 A189	A181-D185 PolarHBondContact O-N 3.38Å; D185-Y188 PolarHBondContact O-N 3.48Å; D185-A189 PolarHBondContact O-N 2.86Å
186	Q	94.1	Very high	93	Very high	131 Å²	131	103.5 Å²	103.5	61%	0.612	53%	0.527	S	S	*	.	H	α-helix	trans	-67.9	-40.4	176.5	-172.5	152.3	3.2	0	0	112.2	A182 E183 V184 Y188 A189 D190	A182-Q186 WeakPolarHBondContact O-CB 3.4Å; A182-Q186 PolarHBondContact O-N 2.83Å; E183-Q186 PolarHBondContact O-N 2.61Å; V184-Q186 VanDerWaalsContact C-N 3.29Å; V184-Q186 PolarHBondContact O-N 3.21Å; Q186-Y188 VanDerWaalsContact C-N 3.35Å; Q186-Y188 PolarHBondContact O-N 3.36Å; Q186-A189 PolarHBondContact O-N 2.94Å; Q186-D190 PolarHBondContact O-N 2.98Å
187	L	94.4	Very high	93.3	Very high	104 Å²	104	100.6 Å²	100.6	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-38.8	173.5	-72.2	171.8	0	0	0	112.4	E183 V184 L191	E183-L187 WeakPolarHBondContact O-CG 3.3Å; E183-L187 PolarHBondContact O-N 3.3Å; V184-L187 PolarHBondContact O-N 3.39Å; L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 PolarHBondContact O-N 2.85Å
188	Y	93.9	Very high	93.4	Very high	158 Å²	158	97.9 Å²	97.9	62%	0.62	51%	0.509	S	S	*	.	H	α-helix	trans	-64.1	-42.7	174.3	-83.4	-67	0	0	0	111.9	V184 D185 Q186 L191 E192	V184-Y188 HydrophobicContact CG1-CD2 3.58Å; V184-Y188 HydrophobicContact CG1-CE2 3.34Å; V184-Y188 WeakPolarHBondContact O-CD2 3.25Å; V184-Y188 PolarHBondContact O-N 2.85Å; D185-Y188 PolarHBondContact O-N 3.48Å; Q186-Y188 VanDerWaalsContact C-N 3.35Å; Q186-Y188 PolarHBondContact O-N 3.36Å; Y188-L191 PolarHBondContact O-N 3.09Å; Y188-E192 WeakPolarHBondContact O-CB 3.47Å; Y188-E192 PolarHBondContact O-N 2.99Å
189	A	94.7	Very high	93.6	Very high	54 Å²	54	97.5 Å²	97.5	45%	0.446	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-43	177	0	0	0	0	0	112.4	D185 Q186 E192 Q193	D185-A189 PolarHBondContact O-N 2.86Å; Q186-A189 PolarHBondContact O-N 2.94Å; A189-E192 PolarHBondContact O-N 2.93Å; A189-Q193 WeakPolarHBondContact O-CB 3.21Å; A189-Q193 PolarHBondContact O-N 3.41Å
190	D	95.8	Very high	93.8	Very high	87 Å²	87	97.1 Å²	97.1	47%	0.465	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-41.9	176.8	-75.2	-9.5	0	0	0	111.4	Q186 Q193 Q194	Q186-D190 PolarHBondContact O-N 2.98Å; D190-Q193 PolarHBondContact O-N 2.96Å; D190-Q194 WeakPolarHBondContact O-CB 3.25Å; D190-Q194 PolarHBondContact O-N 2.94Å
191	L	95.7	Very high	94.1	Very high	94 Å²	94	99.6 Å²	99.6	49%	0.492	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-44.8	176.1	179.7	63.3	0	0	0	111.7	L187 Y188 Q193 Q194 V195	L187-L191 WeakPolarHBondContact O-CB 3.27Å; L187-L191 PolarHBondContact O-N 2.85Å; Y188-L191 PolarHBondContact O-N 3.09Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; L191-Q193 PolarHBondContact O-N 3.23Å; L191-Q194 PolarHBondContact O-N 3.23Å; L191-V195 HydrophobicContact CD1-CG2 4.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.09Å; L191-V195 PolarHBondContact O-N 3.45Å
192	E	94.2	Very high	94.3	Very high	148 Å²	148	104.4 Å²	104.4	69%	0.692	51%	0.513	S	S	*	.	H	α-helix	trans	-61.1	-42.8	177.4	-170.7	179.7	179.1	0	0	111.2	Y188 A189 Q194 V195 K196	Y188-E192 WeakPolarHBondContact O-CB 3.47Å; Y188-E192 PolarHBondContact O-N 2.99Å; A189-E192 PolarHBondContact O-N 2.93Å; E192-Q194 PolarHBondContact O-N 3Å; E192-V195 PolarHBondContact O-N 3.39Å; E192-K196 WeakPolarHBondContact O-CB 3.2Å; E192-K196 PolarHBondContact O-N 2.86Å
193	Q	95.5	Very high	94.3	Very high	110 Å²	110	106.2 Å²	106.2	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-41.1	174.9	-174	177.7	0.1	0	0	111.9	A189 D190 L191 K196 Q197	A189-Q193 WeakPolarHBondContact O-CB 3.21Å; A189-Q193 PolarHBondContact O-N 3.41Å; D190-Q193 PolarHBondContact O-N 2.96Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; L191-Q193 PolarHBondContact O-N 3.23Å; Q193-K196 PolarHBondContact O-N 2.88Å; Q193-Q197 WeakPolarHBondContact O-CG 3.48Å; Q193-Q197 PolarHBondContact O-N 3.26Å
194	Q	95.5	Very high	94.4	Very high	120 Å²	120	106.8 Å²	106.8	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-66.5	-44	178.4	-170.5	175.3	3.9	0	0	111.8	D190 L191 E192 K196 Q197 E198	D190-Q194 WeakPolarHBondContact O-CB 3.25Å; D190-Q194 PolarHBondContact O-N 2.94Å; L191-Q194 PolarHBondContact O-N 3.23Å; E192-Q194 PolarHBondContact O-N 3Å; Q194-K196 VanDerWaalsContact C-N 3.31Å; Q194-K196 PolarHBondContact O-N 3.49Å; Q194-Q197 PolarHBondContact O-N 2.95Å; Q194-E198 PolarHBondContact O-N 2.96Å
195	V	94.2	Very high	94.5	Very high	78 Å²	78	106.6 Å²	106.6	47%	0.473	51%	0.51	S	S	.	.	H	α-helix	trans	-59.9	-43	174.5	170.9	0	0	0	0	110.4	L191 E192 Q197 E198 T199	L191-V195 HydrophobicContact CD1-CG2 4.31Å; L191-V195 WeakPolarHBondContact O-CG2 3.09Å; L191-V195 PolarHBondContact O-N 3.45Å; E192-V195 PolarHBondContact O-N 3.39Å; V195-Q197 PolarHBondContact O-N 2.75Å; V195-E198 PolarHBondContact O-N 2.84Å; V195-T199 HydrophobicContact CG1-CG2 4.21Å; V195-T199 WeakPolarHBondContact O-CB 3.38Å; V195-T199 VanDerWaalsContact O-CG2 3.24Å; V195-T199 WeakPolarHBondContact O-CG2 3.38Å; V195-T199 PolarHBondContact O-N 2.82Å; V195-T199 PolarHBondContact O-OG1 2.93Å
196	K	95.7	Very high	94.5	Very high	132 Å²	132	104.1 Å²	104.1	57%	0.574	50%	0.495	S	S	*	.	H	α-helix	trans	-61.3	-43.6	176	-172.6	175.8	-179.7	176.8	0	112.5	E192 Q193 Q194 T199 E200	E192-K196 WeakPolarHBondContact O-CB 3.2Å; E192-K196 PolarHBondContact O-N 2.86Å; Q193-K196 PolarHBondContact O-N 2.88Å; Q194-K196 VanDerWaalsContact C-N 3.31Å; Q194-K196 PolarHBondContact O-N 3.49Å; K196-T199 WeakPolarHBondContact CA-OG1 3.2Å; K196-T199 PolarHBondContact O-OG1 3.45Å; K196-E200 WeakPolarHBondContact O-CB 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.44Å; K196-E200 PolarHBondContact O-N 2.96Å
197	Q	95.1	Very high	94.5	Very high	88 Å²	88	102.6 Å²	102.6	41%	0.411	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-43.5	178.7	-72.7	177.5	15.6	0	0	112.6	Q193 Q194 V195 E200 R201	Q193-Q197 WeakPolarHBondContact O-CG 3.48Å; Q193-Q197 PolarHBondContact O-N 3.26Å; Q194-Q197 PolarHBondContact O-N 2.95Å; V195-Q197 PolarHBondContact O-N 2.75Å; Q197-E200 PolarHBondContact O-N 2.8Å; Q197-R201 WeakPolarHBondContact O-CB 3.29Å; Q197-R201 VanDerWaalsContact O-CG 3.29Å; Q197-R201 WeakPolarHBondContact O-CG 3.37Å; Q197-R201 PolarHBondContact O-N 3.5Å
198	E	92.5	Very high	94.5	Very high	94 Å²	94	103 Å²	103	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-70.1	-38.3	179.7	-73.6	-59.6	131.6	0	0	112.2	Q194 V195 R201 Y202	Q194-E198 PolarHBondContact O-N 2.96Å; V195-E198 PolarHBondContact O-N 2.84Å; E198-R201 PolarHBondContact O-N 2.86Å; E198-R201 IonicContact OE1-CZ 3.13Å; E198-R201 IonicContact OE1-NH1 3.77Å; E198-R201 PolarHBondContact OE1-NH1 3.25Å; E198-Y202 WeakPolarHBondContact O-CB 3.37Å; E198-Y202 PolarHBondContact O-N 3.29Å
199	T	93.9	Very high	94.5	Very high	67 Å²	67	100.7 Å²	100.7	41%	0.411	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-43.9	173.3	50.4	0	0	0	0	111.8	V195 K196 R201 Y202 I203	V195-T199 HydrophobicContact CG1-CG2 4.21Å; V195-T199 WeakPolarHBondContact O-CB 3.38Å; V195-T199 VanDerWaalsContact O-CG2 3.24Å; V195-T199 WeakPolarHBondContact O-CG2 3.38Å; V195-T199 PolarHBondContact O-N 2.82Å; V195-T199 PolarHBondContact O-OG1 2.93Å; K196-T199 WeakPolarHBondContact CA-OG1 3.2Å; K196-T199 PolarHBondContact O-OG1 3.45Å; T199-R201 VanDerWaalsContact C-N 3.35Å; T199-R201 PolarHBondContact O-N 2.83Å; T199-Y202 PolarHBondContact O-N 3.33Å; T199-I203 WeakPolarHBondContact O-CB 3.47Å; T199-I203 VanDerWaalsContact O-CG1 3.24Å; T199-I203 WeakPolarHBondContact O-CG1 3.42Å; T199-I203 PolarHBondContact O-N 2.97Å
200	E	95	Very high	94.5	Very high	79 Å²	79	103.4 Å²	103.4	37%	0.369	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-38.5	174.8	-77.2	-178.6	-161.4	0	0	112.9	K196 Q197 R204	K196-E200 WeakPolarHBondContact O-CB 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.44Å; K196-E200 PolarHBondContact O-N 2.96Å; Q197-E200 PolarHBondContact O-N 2.8Å; E200-R204 WeakPolarHBondContact O-CB 3.24Å; E200-R204 WeakPolarHBondContact O-CG 3.37Å; E200-R204 PolarHBondContact O-N 3.01Å; E200-R204 IonicContact OE2-NH2 2.64Å; E200-R204 PolarHBondContact OE2-NH2 2.85Å
201	R	94.7	Very high	94.4	Very high	139 Å²	139	106.1 Å²	106.1	53%	0.525	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-48.6	174.7	-77.7	172.7	177.4	-177.6	-2	111	Q197 E198 T199 I203 R204 T205	Q197-R201 WeakPolarHBondContact O-CB 3.29Å; Q197-R201 VanDerWaalsContact O-CG 3.29Å; Q197-R201 WeakPolarHBondContact O-CG 3.37Å; Q197-R201 PolarHBondContact O-N 3.5Å; E198-R201 PolarHBondContact O-N 2.86Å; E198-R201 IonicContact OE1-CZ 3.13Å; E198-R201 IonicContact OE1-NH1 3.77Å; E198-R201 PolarHBondContact OE1-NH1 3.25Å; T199-R201 VanDerWaalsContact C-N 3.35Å; T199-R201 PolarHBondContact O-N 2.83Å; R201-I203 PolarHBondContact O-N 2.81Å; R201-R204 PolarHBondContact O-N 3.29Å; R201-T205 WeakPolarHBondContact O-CG2 3.37Å; R201-T205 PolarHBondContact O-N 3.16Å; R201-T205 PolarHBondContact O-OG1 3.16Å
202	Y	93.6	Very high	94.4	Very high	151 Å²	151	108.6 Å²	108.6	59%	0.592	50%	0.501	S	S	*	.	H	α-helix	trans	-57.9	-50.2	177.8	-176.9	-97.2	0	0	0	111.3	E198 T199 R204 T205 E206	E198-Y202 WeakPolarHBondContact O-CB 3.37Å; E198-Y202 PolarHBondContact O-N 3.29Å; T199-Y202 PolarHBondContact O-N 3.33Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 2.68Å; Y202-T205 PolarHBondContact O-N 2.8Å; Y202-T205 PolarHBondContact O-OG1 3.33Å; Y202-E206 HydrophobicContact CD1-CG 4.24Å; Y202-E206 HydrophobicContact CE1-CG 3.8Å; Y202-E206 HydrophobicContact CE2-CG 4.22Å; Y202-E206 PolarHBondContact O-N 2.91Å
203	I	94.4	Very high	94.4	Very high	91 Å²	91	106.2 Å²	106.2	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-57.6	-44.6	177.8	-68.3	166.1	0	0	0	111.2	T199 R201 E206 Q207	T199-I203 WeakPolarHBondContact O-CB 3.47Å; T199-I203 VanDerWaalsContact O-CG1 3.24Å; T199-I203 WeakPolarHBondContact O-CG1 3.42Å; T199-I203 PolarHBondContact O-N 2.97Å; R201-I203 PolarHBondContact O-N 2.81Å; I203-E206 PolarHBondContact O-N 2.91Å; I203-Q207 HydrophobicContact CG2-CG 4.33Å; I203-Q207 WeakPolarHBondContact O-CB 3.5Å; I203-Q207 VanDerWaalsContact O-CG 3.24Å; I203-Q207 WeakPolarHBondContact O-CG 3.43Å; I203-Q207 PolarHBondContact O-N 3.27Å
204	R	94	Very high	94.4	Very high	140 Å²	140	107.1 Å²	107.1	53%	0.528	49%	0.494	S	S	.	.	H	α-helix	trans	-61.2	-46.6	176.7	-78.1	-179.2	-123.1	-177.7	-2.4	112.1	E200 R201 Y202 E206 Q207 E208	E200-R204 WeakPolarHBondContact O-CB 3.24Å; E200-R204 WeakPolarHBondContact O-CG 3.37Å; E200-R204 PolarHBondContact O-N 3.01Å; E200-R204 IonicContact OE2-NH2 2.64Å; E200-R204 PolarHBondContact OE2-NH2 2.85Å; R201-R204 PolarHBondContact O-N 3.29Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 2.68Å; R204-E206 PolarHBondContact O-N 2.68Å; R204-Q207 PolarHBondContact O-N 3.36Å; R204-E208 WeakPolarHBondContact O-CG 3.31Å; R204-E208 PolarHBondContact O-N 2.88Å
205	T	94.1	Very high	94.4	Very high	63 Å²	63	110.7 Å²	110.7	39%	0.387	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-40.4	-180	58.3	0	0	0	0	112.6	R201 Y202 E208 K209	R201-T205 WeakPolarHBondContact O-CG2 3.37Å; R201-T205 PolarHBondContact O-N 3.16Å; R201-T205 PolarHBondContact O-OG1 3.16Å; Y202-T205 PolarHBondContact O-N 2.8Å; Y202-T205 PolarHBondContact O-OG1 3.33Å; T205-E208 PolarHBondContact O-N 3.07Å; T205-K209 WeakPolarHBondContact O-CG 3.27Å; T205-K209 PolarHBondContact O-N 3.34Å
206	E	93.3	Very high	94.3	Very high	58 Å²	58	109.9 Å²	109.9	27%	0.271	50%	0.5	S	S	.	.	H	α-helix	trans	-68.8	-39.5	176	-72	-54.5	123.1	0	0	111.9	Y202 I203 R204 E208 K209 L210	Y202-E206 HydrophobicContact CD1-CG 4.24Å; Y202-E206 HydrophobicContact CE1-CG 3.8Å; Y202-E206 HydrophobicContact CE2-CG 4.22Å; Y202-E206 PolarHBondContact O-N 2.91Å; I203-E206 PolarHBondContact O-N 2.91Å; R204-E206 PolarHBondContact O-N 2.68Å; E206-E208 VanDerWaalsContact C-N 3.32Å; E206-E208 PolarHBondContact O-N 3.25Å; E206-K209 PolarHBondContact O-N 2.97Å; E206-K209 WeakPolarHBondContact OE1-CD 3.38Å; E206-K209 WeakPolarHBondContact OE1-CE 3.47Å; E206-K209 IonicContact OE1-NZ 2.71Å; E206-K209 PolarHBondContact OE1-NZ 2.84Å; E206-L210 WeakPolarHBondContact O-CB 3.39Å; E206-L210 WeakPolarHBondContact O-CG 3.4Å; E206-L210 PolarHBondContact O-N 2.54Å
207	Q	94.2	Very high	94.2	Very high	99 Å²	99	108.8 Å²	108.8	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-62.1	-37.9	173.7	-76.2	178.5	-1.3	0	0	112.4	I203 R204 K211	I203-Q207 HydrophobicContact CG2-CG 4.33Å; I203-Q207 WeakPolarHBondContact O-CB 3.5Å; I203-Q207 VanDerWaalsContact O-CG 3.24Å; I203-Q207 WeakPolarHBondContact O-CG 3.43Å; I203-Q207 PolarHBondContact O-N 3.27Å; R204-Q207 PolarHBondContact O-N 3.36Å; Q207-K211 WeakPolarHBondContact O-CB 3.36Å; Q207-K211 VanDerWaalsContact O-CG 3.26Å; Q207-K211 WeakPolarHBondContact O-CG 3.48Å; Q207-K211 PolarHBondContact O-N 2.79Å
208	E	94.9	Very high	94.2	Very high	112 Å²	112	109.4 Å²	109.4	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-40.7	174.7	-75.4	179.2	-176	0	0	112.5	R204 T205 E206 K211 K212	R204-E208 WeakPolarHBondContact O-CG 3.31Å; R204-E208 PolarHBondContact O-N 2.88Å; T205-E208 PolarHBondContact O-N 3.07Å; E206-E208 VanDerWaalsContact C-N 3.32Å; E206-E208 PolarHBondContact O-N 3.25Å; E208-K211 PolarHBondContact O-N 2.95Å; E208-K212 WeakPolarHBondContact O-CG 3.34Å; E208-K212 PolarHBondContact O-N 2.98Å
209	K	93.9	Very high	94.3	Very high	111 Å²	111	107.4 Å²	107.4	48%	0.483	50%	0.501	S	S	.	.	H	α-helix	trans	-60.9	-47.6	173.3	-70.7	173.4	-170.7	170.9	0	111	T205 E206 K211 K212 I213	T205-K209 WeakPolarHBondContact O-CG 3.27Å; T205-K209 PolarHBondContact O-N 3.34Å; E206-K209 PolarHBondContact O-N 2.97Å; E206-K209 WeakPolarHBondContact OE1-CD 3.38Å; E206-K209 WeakPolarHBondContact OE1-CE 3.47Å; E206-K209 IonicContact OE1-NZ 2.71Å; E206-K209 PolarHBondContact OE1-NZ 2.84Å; K209-K211 PolarHBondContact O-N 3.28Å; K209-K212 PolarHBondContact O-N 3.41Å; K209-I213 WeakPolarHBondContact O-CG1 3.49Å; K209-I213 PolarHBondContact O-N 2.98Å
210	L	93.9	Very high	94.4	Very high	111 Å²	111	110 Å²	110	58%	0.581	51%	0.508	S	S	*	.	H	α-helix	trans	-61.1	-41.3	177	-73.5	172.2	0	0	0	112.1	E206 I213 K214	E206-L210 WeakPolarHBondContact O-CB 3.39Å; E206-L210 WeakPolarHBondContact O-CG 3.4Å; E206-L210 PolarHBondContact O-N 2.54Å; L210-I213 PolarHBondContact O-N 3.37Å; L210-K214 VanDerWaalsContact O-CB 3.24Å; L210-K214 WeakPolarHBondContact O-CB 3.2Å; L210-K214 PolarHBondContact O-N 3.04Å
211	K	95.1	Very high	94.4	Very high	144 Å²	144	110.5 Å²	110.5	63%	0.626	51%	0.513	S	S	*	.	H	α-helix	trans	-62.2	-42.5	175	-77.8	173.2	-177.4	176.2	0	112.3	Q207 E208 K209 K214 W215	Q207-K211 WeakPolarHBondContact O-CB 3.36Å; Q207-K211 VanDerWaalsContact O-CG 3.26Å; Q207-K211 WeakPolarHBondContact O-CG 3.48Å; Q207-K211 PolarHBondContact O-N 2.79Å; E208-K211 PolarHBondContact O-N 2.95Å; K209-K211 PolarHBondContact O-N 3.28Å; K211-K214 PolarHBondContact O-N 3.4Å; K211-W215 WeakPolarHBondContact O-CB 3.15Å; K211-W215 PolarHBondContact O-N 3.06Å
212	K	94.9	Very high	94.4	Very high	146 Å²	146	108.5 Å²	108.5	64%	0.635	51%	0.51	S	S	*	.	H	α-helix	trans	-64.2	-45.6	177.1	-73.6	175.1	-177.6	175.8	0	111.7	E208 K209 W215 S216	E208-K212 WeakPolarHBondContact O-CG 3.34Å; E208-K212 PolarHBondContact O-N 2.98Å; K209-K212 PolarHBondContact O-N 3.41Å; K212-W215 PolarHBondContact O-N 3.17Å; K212-S216 WeakPolarHBondContact O-CB 3.33Å; K212-S216 PolarHBondContact O-N 2.89Å
213	I	94	Very high	94.4	Very high	97 Å²	97	104.9 Å²	104.9	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-47.3	176.9	-67	168.1	0	0	0	110.1	K209 L210 W215 S216 M217	K209-I213 WeakPolarHBondContact O-CG1 3.49Å; K209-I213 PolarHBondContact O-N 2.98Å; L210-I213 PolarHBondContact O-N 3.37Å; I213-W215 PolarHBondContact O-N 2.98Å; I213-S216 WeakPolarHBondContact O-CB 3.46Å; I213-S216 PolarHBondContact O-N 3.26Å; I213-M217 HydrophobicContact CG2-CG 4.38Å; I213-M217 HydrophobicContact CG2-SD 4.01Å; I213-M217 WeakPolarHBondContact O-CG 3.24Å; I213-M217 PolarHBondContact O-N 2.88Å
214	K	95.6	Very high	94.4	Very high	129 Å²	129	106.6 Å²	106.6	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-56.4	-48.9	177	179.4	178.8	171.4	179.7	0	111.7	L210 K211 S216 M217 E218	L210-K214 VanDerWaalsContact O-CB 3.24Å; L210-K214 WeakPolarHBondContact O-CB 3.2Å; L210-K214 PolarHBondContact O-N 3.04Å; K211-K214 PolarHBondContact O-N 3.4Å; K214-S216 PolarHBondContact O-N 2.98Å; K214-M217 PolarHBondContact O-N 3.34Å; K214-E218 WeakPolarHBondContact CE-OE1 3.38Å; K214-E218 HydrophobicContact CG-CG 4.45Å; K214-E218 IonicContact NZ-OE1 3.53Å; K214-E218 WeakPolarHBondContact O-CB 3.29Å; K214-E218 WeakPolarHBondContact O-CG 3.32Å; K214-E218 PolarHBondContact O-N 2.92Å
215	W	94.6	Very high	94.5	Very high	195 Å²	195	105.3 Å²	105.3	74%	0.739	50%	0.503	S	S	*	.	H	α-helix	trans	-64	-39.9	179.3	-176.6	29.4	0	0	0	112.4	K211 K212 I213 E218 A219	K211-W215 WeakPolarHBondContact O-CB 3.15Å; K211-W215 PolarHBondContact O-N 3.06Å; K212-W215 PolarHBondContact O-N 3.17Å; I213-W215 PolarHBondContact O-N 2.98Å; W215-E218 PolarHBondContact O-N 3.49Å; W215-A219 WeakPolarHBondContact O-CB 3.26Å; W215-A219 PolarHBondContact O-N 2.84Å
216	S	93.1	Very high	94.5	Very high	61 Å²	61	106.8 Å²	106.8	43%	0.427	51%	0.506	S	S	.	.	H	α-helix	trans	-60.3	-47.2	174.5	-164.9	0	0	0	0	111.6	K212 I213 K214 A219 E220	K212-S216 WeakPolarHBondContact O-CB 3.33Å; K212-S216 PolarHBondContact O-N 2.89Å; I213-S216 WeakPolarHBondContact O-CB 3.46Å; I213-S216 PolarHBondContact O-N 3.26Å; K214-S216 PolarHBondContact O-N 2.98Å; S216-A219 PolarHBondContact O-N 2.98Å; S216-E220 WeakPolarHBondContact O-CG 3.48Å; S216-E220 PolarHBondContact O-N 3.46Å
217	M	93.2	Very high	94.5	Very high	109 Å²	109	107.5 Å²	107.5	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-40.7	178.4	-68.9	-178.1	76.7	0	0	112.1	I213 K214 A219 E220 I221	I213-M217 HydrophobicContact CG2-CG 4.38Å; I213-M217 HydrophobicContact CG2-SD 4.01Å; I213-M217 WeakPolarHBondContact O-CG 3.24Å; I213-M217 PolarHBondContact O-N 2.88Å; K214-M217 PolarHBondContact O-N 3.34Å; M217-A219 VanDerWaalsContact C-N 3.34Å; M217-A219 PolarHBondContact O-N 3.23Å; M217-E220 PolarHBondContact O-N 2.93Å; M217-I221 WeakPolarHBondContact O-CB 3.25Å; M217-I221 VanDerWaalsContact O-CG1 3.23Å; M217-I221 WeakPolarHBondContact O-CG1 3.43Å; M217-I221 PolarHBondContact O-N 3.47Å
218	E	95.4	Very high	94.6	Very high	102 Å²	102	109.9 Å²	109.9	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-62.4	-41	176	-75.8	173.4	166.9	0	0	111.7	K214 W215 I221 E222	K214-E218 WeakPolarHBondContact CE-OE1 3.38Å; K214-E218 HydrophobicContact CG-CG 4.45Å; K214-E218 IonicContact NZ-OE1 3.53Å; K214-E218 WeakPolarHBondContact O-CB 3.29Å; K214-E218 WeakPolarHBondContact O-CG 3.32Å; K214-E218 PolarHBondContact O-N 2.92Å; W215-E218 PolarHBondContact O-N 3.49Å; E218-I221 PolarHBondContact O-N 3.44Å; E218-E222 PolarHBondContact O-N 2.8Å
219	A	95.5	Very high	94.5	Very high	52 Å²	52	110.3 Å²	110.3	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-41.7	175.5	0	0	0	0	0	112.4	W215 S216 M217 E222 N223	W215-A219 WeakPolarHBondContact O-CB 3.26Å; W215-A219 PolarHBondContact O-N 2.84Å; S216-A219 PolarHBondContact O-N 2.98Å; M217-A219 VanDerWaalsContact C-N 3.34Å; M217-A219 PolarHBondContact O-N 3.23Å; A219-E222 PolarHBondContact O-N 2.8Å; A219-N223 PolarHBondContact O-N 3.41Å
220	E	94.7	Very high	94.6	Very high	120 Å²	120	110.2 Å²	110.2	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-63.8	-42.8	175.1	-77.1	175.6	-151.9	0	0	112.2	S216 M217 E222 N223 K224	S216-E220 WeakPolarHBondContact O-CG 3.48Å; S216-E220 PolarHBondContact O-N 3.46Å; M217-E220 PolarHBondContact O-N 2.93Å; E220-E222 VanDerWaalsContact C-N 3.34Å; E220-E222 PolarHBondContact O-N 2.62Å; E220-N223 PolarHBondContact O-N 2.87Å; E220-K224 WeakPolarHBondContact O-CB 3.42Å; E220-K224 VanDerWaalsContact O-CG 3.3Å; E220-K224 WeakPolarHBondContact O-CG 3.29Å; E220-K224 PolarHBondContact O-N 2.73Å
221	I	94.5	Very high	94.6	Very high	91 Å²	91	110.1 Å²	110.1	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-60.6	-44.6	175.7	-72.8	166.1	0	0	0	110.4	M217 E218 K224 K225	M217-I221 WeakPolarHBondContact O-CB 3.25Å; M217-I221 VanDerWaalsContact O-CG1 3.23Å; M217-I221 WeakPolarHBondContact O-CG1 3.43Å; M217-I221 PolarHBondContact O-N 3.47Å; E218-I221 PolarHBondContact O-N 3.44Å; I221-K224 PolarHBondContact O-N 3.25Å; I221-K225 WeakPolarHBondContact O-CG 3.35Å; I221-K225 PolarHBondContact O-N 2.63Å
222	E	95.1	Very high	94.5	Very high	97 Å²	97	106.4 Å²	106.4	45%	0.453	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-39.6	179.9	-161.6	59.5	-156.3	0	0	111.9	E218 A219 E220 K224 K225 M226	E218-E222 PolarHBondContact O-N 2.8Å; A219-E222 PolarHBondContact O-N 2.8Å; E220-E222 VanDerWaalsContact C-N 3.34Å; E220-E222 PolarHBondContact O-N 2.62Å; E222-K224 PolarHBondContact O-N 2.83Å; E222-K225 PolarHBondContact O-N 2.8Å; E222-K225 IonicContact OE2-NZ 2.77Å; E222-K225 PolarHBondContact OE2-NZ 3.13Å; E222-M226 PolarHBondContact O-N 3.01Å; E222-M226 VanDerWaalsContact O-N 3.1Å
223	N	93.9	Very high	94.5	Very high	75 Å²	75	105 Å²	105	40%	0.401	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-43.5	172.4	-172	61.6	0	0	0	112	A219 E220 K225 M226 E227	A219-N223 PolarHBondContact O-N 3.41Å; E220-N223 PolarHBondContact O-N 2.87Å; N223-K225 VanDerWaalsContact C-N 3.34Å; N223-K225 PolarHBondContact O-N 2.96Å; N223-M226 HydrophobicContact CB-CE 4.48Å; N223-M226 PolarHBondContact O-N 2.81Å; N223-E227 PolarHBondContact ND2-OE1 3.27Å; N223-E227 PolarHBondContact O-N 2.92Å
224	K	94.7	Very high	94.6	Very high	126 Å²	126	106 Å²	106	55%	0.548	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-33.6	177.2	-71.8	-72.8	164.1	-155.4	0	113	E220 I221 E222 E227 F228	E220-K224 WeakPolarHBondContact O-CB 3.42Å; E220-K224 VanDerWaalsContact O-CG 3.3Å; E220-K224 WeakPolarHBondContact O-CG 3.29Å; E220-K224 PolarHBondContact O-N 2.73Å; I221-K224 PolarHBondContact O-N 3.25Å; E222-K224 PolarHBondContact O-N 2.83Å; K224-E227 WeakPolarHBondContact CD-OE2 3.26Å; K224-E227 IonicContact NZ-OE1 3.28Å; K224-E227 IonicContact NZ-OE2 2.82Å; K224-E227 PolarHBondContact NZ-OE2 3.3Å; K224-F228 WeakPolarHBondContact O-CB 3.43Å; K224-F228 PolarHBondContact O-N 2.9Å
225	K	95.2	Very high	94.5	Very high	114 Å²	114	107.1 Å²	107.1	50%	0.496	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-42.1	171.8	-73.4	177.9	-164.6	158.5	0	112.1	I221 E222 N223 F228 Q229	I221-K225 WeakPolarHBondContact O-CG 3.35Å; I221-K225 PolarHBondContact O-N 2.63Å; E222-K225 PolarHBondContact O-N 2.8Å; E222-K225 IonicContact OE2-NZ 2.77Å; E222-K225 PolarHBondContact OE2-NZ 3.13Å; N223-K225 VanDerWaalsContact C-N 3.34Å; N223-K225 PolarHBondContact O-N 2.96Å; K225-F228 PolarHBondContact O-N 3.48Å; K225-Q229 PolarHBondContact O-N 3.5Å
226	M	95.1	Very high	94.6	Very high	93 Å²	93	100.3 Å²	100.3	46%	0.458	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176.1	-69.2	-171.7	-68.8	0	0	111.3	E222 N223 F228 Q229 E230	E222-M226 PolarHBondContact O-N 3.01Å; E222-M226 VanDerWaalsContact O-N 3.1Å; N223-M226 HydrophobicContact CB-CE 4.48Å; N223-M226 PolarHBondContact O-N 2.81Å; M226-F228 VanDerWaalsContact C-N 3.31Å; M226-F228 PolarHBondContact O-N 3.23Å; M226-Q229 PolarHBondContact O-N 2.83Å; M226-E230 PolarHBondContact O-N 2.98Å
227	E	94.2	Very high	94.7	Very high	73 Å²	73	101 Å²	101	34%	0.341	50%	0.499	S	S	.	.	H	α-helix	trans	-58.1	-42.1	174.6	-71.5	174.2	-168.8	0	0	111.9	N223 K224 E230 L231	N223-E227 PolarHBondContact ND2-OE1 3.27Å; N223-E227 PolarHBondContact O-N 2.92Å; K224-E227 WeakPolarHBondContact CD-OE2 3.26Å; K224-E227 IonicContact NZ-OE1 3.28Å; K224-E227 IonicContact NZ-OE2 2.82Å; K224-E227 PolarHBondContact NZ-OE2 3.3Å; E227-E230 PolarHBondContact O-N 2.84Å; E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.99Å
228	F	94.2	Very high	94.8	Very high	150 Å²	150	101.1 Å²	101.1	66%	0.658	50%	0.501	S	S	*	.	H	α-helix	trans	-64.3	-41.1	176.4	-178.4	-97.8	0	0	0	112.2	K224 K225 M226 L231 S232	K224-F228 WeakPolarHBondContact O-CB 3.43Å; K224-F228 PolarHBondContact O-N 2.9Å; K225-F228 PolarHBondContact O-N 3.48Å; M226-F228 VanDerWaalsContact C-N 3.31Å; M226-F228 PolarHBondContact O-N 3.23Å; F228-L231 PolarHBondContact O-N 2.68Å; F228-S232 WeakPolarHBondContact O-CB 3.48Å; F228-S232 PolarHBondContact O-N 2.63Å
229	Q	94.3	Very high	94.7	Very high	121 Å²	121	100.6 Å²	100.6	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-41.7	176.7	-171.9	176.9	0.4	0	0	111.6	K225 M226 S232 Q233	K225-Q229 PolarHBondContact O-N 3.5Å; M226-Q229 PolarHBondContact O-N 2.83Å; Q229-S232 PolarHBondContact O-N 2.88Å; Q229-Q233 WeakPolarHBondContact O-CG 3.36Å; Q229-Q233 PolarHBondContact O-N 2.85Å
230	E	94.7	Very high	94.7	Very high	108 Å²	108	101 Å²	101	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-43.7	174.3	-71.6	-173.6	-177.8	0	0	112.4	M226 E227 S232 Q233 K234	M226-E230 PolarHBondContact O-N 2.98Å; E227-E230 PolarHBondContact O-N 2.84Å; E230-S232 VanDerWaalsContact C-N 3.33Å; E230-Q233 PolarHBondContact O-N 2.87Å; E230-K234 WeakPolarHBondContact O-CG 3.17Å; E230-K234 PolarHBondContact O-N 3.03Å
231	L	94.1	Very high	94.8	Very high	110 Å²	110	101.8 Å²	101.8	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-40.3	176.2	-80.2	164.2	0	0	0	111.7	E227 F228 K234 Y235	E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.99Å; F228-L231 PolarHBondContact O-N 2.68Å; L231-K234 PolarHBondContact O-N 3.27Å; L231-Y235 WeakPolarHBondContact O-CB 3.38Å; L231-Y235 PolarHBondContact O-N 3Å
232	S	94.6	Very high	94.8	Very high	65 Å²	65	102.5 Å²	102.5	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-42.8	176	-179	0	0	0	0	112	F228 Q229 E230 Y235 A236	F228-S232 WeakPolarHBondContact O-CB 3.48Å; F228-S232 PolarHBondContact O-N 2.63Å; Q229-S232 PolarHBondContact O-N 2.88Å; E230-S232 VanDerWaalsContact C-N 3.33Å; S232-Y235 PolarHBondContact O-N 3.35Å; S232-A236 PolarHBondContact O-N 3.49Å
233	Q	95	Very high	94.8	Very high	117 Å²	117	104 Å²	104	55%	0.547	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-40.6	174.4	-71.6	175.6	6	0	0	112.5	Q229 E230 A236 T237	Q229-Q233 WeakPolarHBondContact O-CG 3.36Å; Q229-Q233 PolarHBondContact O-N 2.85Å; E230-Q233 PolarHBondContact O-N 2.87Å; Q233-A236 PolarHBondContact O-N 2.82Å; Q233-T237 PolarHBondContact O-N 2.82Å; Q233-T237 PolarHBondContact O-OG1 3.49Å
234	K	95.7	Very high	94.9	Very high	118 Å²	118	105.1 Å²	105.1	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-43.1	174.9	-73.2	168.8	-176.8	162.9	0	111.3	E230 L231 T237 I238	E230-K234 WeakPolarHBondContact O-CG 3.17Å; E230-K234 PolarHBondContact O-N 3.03Å; L231-K234 PolarHBondContact O-N 3.27Å; K234-T237 PolarHBondContact O-N 3.04Å; K234-I238 WeakPolarHBondContact O-CG1 3.24Å; K234-I238 PolarHBondContact O-N 3.33Å
235	Y	93.6	Very high	94.9	Very high	153 Å²	153	101.7 Å²	101.7	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-59.9	-49.8	176.3	-176.9	-89.3	0	0	0	111.4	L231 S232 T237 I238 E239	L231-Y235 WeakPolarHBondContact O-CB 3.38Å; L231-Y235 PolarHBondContact O-N 3Å; S232-Y235 PolarHBondContact O-N 3.35Å; Y235-T237 VanDerWaalsContact C-N 3.26Å; Y235-T237 PolarHBondContact O-N 3.35Å; Y235-I238 PolarHBondContact O-N 3.45Å; Y235-E239 WeakPolarHBondContact CE1-OE2 3.46Å; Y235-E239 WeakPolarHBondContact O-CB 3.37Å; Y235-E239 PolarHBondContact O-N 3Å
236	A	95.8	Very high	94.8	Very high	52 Å²	52	100.4 Å²	100.4	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-58.9	-36.7	177	0	0	0	0	0	112.8	S232 Q233 S240	S232-A236 PolarHBondContact O-N 3.49Å; Q233-A236 PolarHBondContact O-N 2.82Å; A236-S240 PolarHBondContact O-N 2.89Å; A236-S240 VanDerWaalsContact O-N 3.07Å
237	T	95.4	Very high	94.8	Very high	74 Å²	74	103.2 Å²	103.2	45%	0.454	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-39.4	175.8	-55.7	0	0	0	0	112	Q233 K234 Y235 K241	Q233-T237 PolarHBondContact O-N 2.82Å; Q233-T237 PolarHBondContact O-OG1 3.49Å; K234-T237 PolarHBondContact O-N 3.04Å; Y235-T237 VanDerWaalsContact C-N 3.26Å; Y235-T237 PolarHBondContact O-N 3.35Å; T237-K241 WeakPolarHBondContact O-CG 3.24Å; T237-K241 PolarHBondContact O-N 3.35Å
238	I	94.5	Very high	94.8	Very high	113 Å²	113	104.1 Å²	104.1	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-69.9	-41.2	177.8	-69.6	168.7	0	0	0	110.4	K234 Y235 K241 L242	K234-I238 WeakPolarHBondContact O-CG1 3.24Å; K234-I238 PolarHBondContact O-N 3.33Å; Y235-I238 PolarHBondContact O-N 3.45Å; I238-K241 PolarHBondContact O-N 2.9Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 PolarHBondContact O-N 3.35Å
239	E	95	Very high	94.8	Very high	91 Å²	91	103 Å²	103	43%	0.425	52%	0.518	S	S	.	.	H	α-helix	trans	-59.3	-48.8	177.1	-170.2	169.7	-150.8	0	0	111.2	Y235 K241 L242 E243	Y235-E239 WeakPolarHBondContact CE1-OE2 3.46Å; Y235-E239 WeakPolarHBondContact O-CB 3.37Å; Y235-E239 PolarHBondContact O-N 3Å; E239-K241 PolarHBondContact O-N 3Å; E239-L242 WeakPolarHBondContact O-CB 3.45Å; E239-L242 PolarHBondContact O-N 3.46Å; E239-L242 VanDerWaalsContact O-N 3.1Å; E239-E243 PolarHBondContact O-N 2.95Å
240	S	95.2	Very high	94.8	Very high	59 Å²	59	103.6 Å²	103.6	41%	0.413	52%	0.521	S	S	.	.	H	α-helix	trans	-59.9	-42.2	174.5	170.6	0	0	0	0	112.9	A236 L242 E243 D244	A236-S240 PolarHBondContact O-N 2.89Å; A236-S240 VanDerWaalsContact O-N 3.07Å; S240-L242 VanDerWaalsContact C-N 3.29Å; S240-L242 PolarHBondContact O-N 3.47Å; S240-E243 PolarHBondContact O-N 2.79Å; S240-D244 PolarHBondContact O-N 2.92Å; S240-D244 VanDerWaalsContact O-N 3.08Å
241	K	96	Very high	94.8	Very high	138 Å²	138	104.9 Å²	104.9	60%	0.6	53%	0.525	S	S	*	.	H	α-helix	trans	-65.2	-32.5	175.7	-74.5	176.4	-179.8	-179.5	0	112.8	T237 I238 E239 A245	T237-K241 WeakPolarHBondContact O-CG 3.24Å; T237-K241 PolarHBondContact O-N 3.35Å; I238-K241 PolarHBondContact O-N 2.9Å; E239-K241 PolarHBondContact O-N 3Å; K241-A245 WeakPolarHBondContact O-CB 2.78Å; K241-A245 PolarHBondContact O-N 3Å; K241-A245 VanDerWaalsContact O-N 3.08Å
242	L	95.1	Very high	94.7	Very high	106 Å²	106	103.5 Å²	103.5	56%	0.555	52%	0.522	S	S	*	.	H	α-helix	trans	-69.7	-42.4	176.9	-178.2	65.8	0	0	0	110.6	I238 E239 S240 A245 L246	I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 PolarHBondContact O-N 3.35Å; E239-L242 WeakPolarHBondContact O-CB 3.45Å; E239-L242 PolarHBondContact O-N 3.46Å; E239-L242 VanDerWaalsContact O-N 3.1Å; S240-L242 VanDerWaalsContact C-N 3.29Å; S240-L242 PolarHBondContact O-N 3.47Å; L242-A245 PolarHBondContact O-N 3.16Å; L242-L246 HydrophobicContact CG-CD1 4.31Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.5Å; L242-L246 PolarHBondContact O-N 2.74Å
243	E	94.5	Very high	94.7	Very high	127 Å²	127	105.5 Å²	105.5	59%	0.593	52%	0.524	S	S	*	.	H	α-helix	trans	-58.8	-47.3	174	-70.9	179.8	167	0	0	111.6	E239 S240 A245 L246 Y247	E239-E243 PolarHBondContact O-N 2.95Å; S240-E243 PolarHBondContact O-N 2.79Å; E243-A245 PolarHBondContact O-N 2.86Å; E243-L246 PolarHBondContact O-N 3.43Å; E243-Y247 PolarHBondContact O-N 3.05Å
244	D	95.4	Very high	94.7	Very high	99 Å²	99	102.9 Å²	102.9	53%	0.529	52%	0.522	S	S	.	.	H	α-helix	trans	-58.9	-44.8	176.2	-72	-21.4	0	0	0	111.8	S240 L246 Y247 D248	S240-D244 PolarHBondContact O-N 2.92Å; S240-D244 VanDerWaalsContact O-N 3.08Å; D244-L246 PolarHBondContact O-N 3.44Å; D244-Y247 PolarHBondContact O-N 3.36Å; D244-D248 PolarHBondContact O-N 3.1Å
245	A	94.4	Very high	94.7	Very high	55 Å²	55	103.3 Å²	103.3	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-34.3	179.1	0	0	0	0	0	113	K241 L242 E243 K249	K241-A245 WeakPolarHBondContact O-CB 2.78Å; K241-A245 PolarHBondContact O-N 3Å; K241-A245 VanDerWaalsContact O-N 3.08Å; L242-A245 PolarHBondContact O-N 3.16Å; E243-A245 PolarHBondContact O-N 2.86Å; A245-K249 WeakPolarHBondContact O-CB 3.43Å; A245-K249 PolarHBondContact O-N 2.78Å
246	L	94.3	Very high	94.6	Very high	87 Å²	87	100.8 Å²	100.8	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-68.2	-42.1	174.4	-73.9	173.7	0	0	0	111.2	L242 E243 D244 D248 K249 E250	L242-L246 HydrophobicContact CG-CD1 4.31Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.5Å; L242-L246 PolarHBondContact O-N 2.74Å; E243-L246 PolarHBondContact O-N 3.43Å; D244-L246 PolarHBondContact O-N 3.44Å; L246-D248 PolarHBondContact O-N 3.03Å; L246-K249 WeakPolarHBondContact O-CB 3.33Å; L246-K249 PolarHBondContact O-N 3.45Å; L246-E250 PolarHBondContact O-N 3.04Å
247	Y	93.9	Very high	94.6	Very high	151 Å²	151	101.5 Å²	101.5	59%	0.592	52%	0.515	S	S	*	.	H	α-helix	trans	-59.5	-46.1	174.3	-179.7	-97.9	0	0	0	111.9	E243 D244 K249 E250 K251	E243-Y247 PolarHBondContact O-N 3.05Å; D244-Y247 PolarHBondContact O-N 3.36Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 3.32Å; Y247-E250 PolarHBondContact O-N 3.29Å; Y247-K251 PolarHBondContact O-N 3.01Å
248	D	94.2	Very high	94.6	Very high	93 Å²	93	104.9 Å²	104.9	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-36.8	176.1	-81.9	-17.8	0	0	0	112.5	D244 L246 K251 T252	D244-D248 PolarHBondContact O-N 3.1Å; L246-D248 PolarHBondContact O-N 3.03Å; D248-K251 PolarHBondContact O-N 3.13Å; D248-T252 WeakPolarHBondContact O-CB 3.35Å; D248-T252 VanDerWaalsContact O-CG2 3.31Å; D248-T252 WeakPolarHBondContact O-CG2 3.32Å; D248-T252 PolarHBondContact O-N 2.69Å; D248-T252 PolarHBondContact O-OG1 3.36Å
249	K	94.5	Very high	94.6	Very high	125 Å²	125	103 Å²	103	54%	0.543	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-45	174.1	-178.9	-172.2	171.4	-170.6	0	111.8	A245 L246 Y247 T252 Q253	A245-K249 WeakPolarHBondContact O-CB 3.43Å; A245-K249 PolarHBondContact O-N 2.78Å; L246-K249 WeakPolarHBondContact O-CB 3.33Å; L246-K249 PolarHBondContact O-N 3.45Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 3.32Å; K249-T252 WeakPolarHBondContact CA-OG1 3.18Å; K249-T252 PolarHBondContact O-N 2.98Å; K249-T252 PolarHBondContact O-OG1 2.75Å; K249-Q253 VanDerWaalsContact O-CB 3.29Å; K249-Q253 WeakPolarHBondContact O-CB 3.39Å; K249-Q253 PolarHBondContact O-N 2.92Å
250	E	94.9	Very high	94.6	Very high	135 Å²	135	105.3 Å²	105.3	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-63.7	-43.2	177.7	-73.8	-175.8	170.1	0	0	111.5	L246 Y247 T252 Q253 A254	L246-E250 PolarHBondContact O-N 3.04Å; Y247-E250 PolarHBondContact O-N 3.29Å; E250-T252 PolarHBondContact O-N 3.24Å; E250-Q253 PolarHBondContact O-N 2.77Å; E250-A254 WeakPolarHBondContact O-CB 3.38Å; E250-A254 PolarHBondContact O-N 3.21Å
251	K	94.1	Very high	94.7	Very high	134 Å²	134	109.5 Å²	109.5	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-62.4	-43.8	176.9	-174	179.3	178.3	-177.6	0	112.2	Y247 D248 F255	Y247-K251 PolarHBondContact O-N 3.01Å; D248-K251 PolarHBondContact O-N 3.13Å; K251-F255 WeakPolarHBondContact O-CB 3.26Å; K251-F255 PolarHBondContact O-N 3.33Å
252	T	93.3	Very high	94.6	Very high	82 Å²	82	107.5 Å²	107.5	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-67.8	-38.2	176.7	50.5	0	0	0	0	111.6	D248 K249 E250 F255 M256	D248-T252 WeakPolarHBondContact O-CB 3.35Å; D248-T252 VanDerWaalsContact O-CG2 3.31Å; D248-T252 WeakPolarHBondContact O-CG2 3.32Å; D248-T252 PolarHBondContact O-N 2.69Å; D248-T252 PolarHBondContact O-OG1 3.36Å; K249-T252 WeakPolarHBondContact CA-OG1 3.18Å; K249-T252 PolarHBondContact O-N 2.98Å; K249-T252 PolarHBondContact O-OG1 2.75Å; E250-T252 PolarHBondContact O-N 3.24Å; T252-F255 PolarHBondContact O-N 2.71Å; T252-M256 VanDerWaalsContact O-CG 3.26Å; T252-M256 WeakPolarHBondContact O-CG 3.34Å; T252-M256 PolarHBondContact O-N 3.1Å
253	Q	94.4	Very high	94.6	Very high	107 Å²	107	109.6 Å²	109.6	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-46.1	174.6	-174.5	170.6	-9.8	0	0	111.9	K249 E250 F255 M256 D257	K249-Q253 VanDerWaalsContact O-CB 3.29Å; K249-Q253 WeakPolarHBondContact O-CB 3.39Å; K249-Q253 PolarHBondContact O-N 2.92Å; E250-Q253 PolarHBondContact O-N 2.77Å; Q253-F255 VanDerWaalsContact C-N 3.29Å; Q253-F255 PolarHBondContact O-N 3.03Å; Q253-M256 PolarHBondContact O-N 3.23Å; Q253-D257 PolarHBondContact O-N 3.32Å
254	A	94.7	Very high	94.7	Very high	62 Å²	62	107.2 Å²	107.2	51%	0.512	52%	0.515	S	S	.	.	H	α-helix	trans	-60.7	-38.3	175.3	0	0	0	0	0	112.3	E250 K258	E250-A254 WeakPolarHBondContact O-CB 3.38Å; E250-A254 PolarHBondContact O-N 3.21Å; A254-K258 PolarHBondContact O-N 3.49Å; A254-K258 VanDerWaalsContact O-N 3.1Å
255	F	95	Very high	94.7	Very high	127 Å²	127	108 Å²	108	56%	0.557	52%	0.517	S	S	*	.	H	α-helix	trans	-65.7	-43.8	174.2	-178	-106.2	0	0	0	112.2	K251 T252 Q253 D257 K258 L259	K251-F255 WeakPolarHBondContact O-CB 3.26Å; K251-F255 PolarHBondContact O-N 3.33Å; T252-F255 PolarHBondContact O-N 2.71Å; Q253-F255 VanDerWaalsContact C-N 3.29Å; Q253-F255 PolarHBondContact O-N 3.03Å; F255-D257 VanDerWaalsContact C-N 3.34Å; F255-D257 PolarHBondContact O-N 3.34Å; F255-K258 WeakPolarHBondContact O-CB 3.42Å; F255-K258 PolarHBondContact O-N 3.34Å; F255-L259 HydrophobicContact CD1-CD1 3.98Å; F255-L259 HydrophobicContact CE1-CD1 3.44Å; F255-L259 VanDerWaalsContact CE1-CD1 3.44Å; F255-L259 HydrophobicContact CE1-CG 4.13Å; F255-L259 HydrophobicContact CZ-CD1 3.89Å; F255-L259 HydrophobicContact CZ-CD2 4.45Å; F255-L259 HydrophobicContact CZ-CG 4.19Å; F255-L259 PolarHBondContact O-N 3.49Å
256	M	92.4	Very high	94.7	Very high	99 Å²	99	110 Å²	110	49%	0.488	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-38.7	176.1	-71.7	-64.4	-71	0	0	112.2	T252 Q253 K258 L259 R260	T252-M256 VanDerWaalsContact O-CG 3.26Å; T252-M256 WeakPolarHBondContact O-CG 3.34Å; T252-M256 PolarHBondContact O-N 3.1Å; Q253-M256 PolarHBondContact O-N 3.23Å; M256-K258 VanDerWaalsContact C-N 3.34Å; M256-L259 PolarHBondContact O-N 3.1Å; M256-L259 HydrophobicContact SD-CD1 4.47Å; M256-R260 WeakPolarHBondContact O-CG 3.34Å; M256-R260 PolarHBondContact O-N 2.79Å
257	D	95.5	Very high	94.7	Very high	67 Å²	67	108.4 Å²	108.4	36%	0.358	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-35.5	175.5	-73.6	-21.3	0	0	0	112.1	Q253 F255 R260 K261	Q253-D257 PolarHBondContact O-N 3.32Å; F255-D257 VanDerWaalsContact C-N 3.34Å; F255-D257 PolarHBondContact O-N 3.34Å; D257-R260 PolarHBondContact O-N 2.77Å; D257-K261 WeakPolarHBondContact O-CG 3.34Å; D257-K261 PolarHBondContact O-N 2.93Å; D257-K261 VanDerWaalsContact O-N 3.09Å
258	K	96	Very high	94.8	Very high	145 Å²	145	107.5 Å²	107.5	63%	0.63	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-46.5	172.2	-172.1	-179.8	178.2	-176.1	0	111.4	A254 F255 M256 R260 K261 E262	A254-K258 PolarHBondContact O-N 3.49Å; A254-K258 VanDerWaalsContact O-N 3.1Å; F255-K258 WeakPolarHBondContact O-CB 3.42Å; F255-K258 PolarHBondContact O-N 3.34Å; M256-K258 VanDerWaalsContact C-N 3.34Å; K258-R260 VanDerWaalsContact C-N 3.32Å; K258-R260 PolarHBondContact O-N 2.88Å; K258-K261 PolarHBondContact O-N 2.79Å; K258-E262 PolarHBondContact O-N 3.19Å
259	L	94.7	Very high	94.8	Very high	75 Å²	75	108.8 Å²	108.8	39%	0.393	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-36.8	176.5	-74.3	177.5	0	0	0	112.5	F255 M256 E262 R263	F255-L259 HydrophobicContact CD1-CD1 3.98Å; F255-L259 HydrophobicContact CE1-CD1 3.44Å; F255-L259 VanDerWaalsContact CE1-CD1 3.44Å; F255-L259 HydrophobicContact CE1-CG 4.13Å; F255-L259 HydrophobicContact CZ-CD1 3.89Å; F255-L259 HydrophobicContact CZ-CD2 4.45Å; F255-L259 HydrophobicContact CZ-CG 4.19Å; F255-L259 PolarHBondContact O-N 3.49Å; M256-L259 PolarHBondContact O-N 3.1Å; M256-L259 HydrophobicContact SD-CD1 4.47Å; L259-E262 PolarHBondContact O-N 3.09Å; L259-R263 WeakPolarHBondContact O-CB 3.49Å; L259-R263 PolarHBondContact O-N 2.87Å
260	R	95	Very high	94.9	Very high	139 Å²	139	109.8 Å²	109.8	53%	0.525	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-46.7	174.4	-77.1	174.1	-179.9	-168.8	-0.3	111.7	M256 D257 K258 E262 R263 D264	M256-R260 WeakPolarHBondContact O-CG 3.34Å; M256-R260 PolarHBondContact O-N 2.79Å; D257-R260 PolarHBondContact O-N 2.77Å; K258-R260 VanDerWaalsContact C-N 3.32Å; K258-R260 PolarHBondContact O-N 2.88Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.34Å; R260-R263 WeakPolarHBondContact O-CB 3.27Å; R260-R263 PolarHBondContact O-N 2.96Å; R260-D264 PolarHBondContact O-N 3.5Å
261	K	95.4	Very high	94.9	Very high	147 Å²	147	109.2 Å²	109.2	64%	0.639	52%	0.517	S	S	*	.	H	α-helix	trans	-60.2	-43.3	175.7	-71	176.8	-178.3	179.8	0	112	D257 K258 D264 M265	D257-K261 WeakPolarHBondContact O-CG 3.34Å; D257-K261 PolarHBondContact O-N 2.93Å; D257-K261 VanDerWaalsContact O-N 3.09Å; K258-K261 PolarHBondContact O-N 2.79Å; K261-D264 PolarHBondContact O-N 3.25Å; K261-M265 WeakPolarHBondContact O-CG 3.42Å; K261-M265 PolarHBondContact O-N 2.91Å
262	E	95.4	Very high	95	Very high	95 Å²	95	106.5 Å²	106.5	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-43.3	177.3	-170.9	171.7	-176.6	0	0	112.1	K258 L259 R260 D264 M265 L266	K258-E262 PolarHBondContact O-N 3.19Å; L259-E262 PolarHBondContact O-N 3.09Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-E262 PolarHBondContact O-N 3.34Å; E262-D264 VanDerWaalsContact C-N 3.35Å; E262-D264 PolarHBondContact O-N 3.48Å; E262-M265 PolarHBondContact O-N 3.38Å; E262-L266 HydrophobicContact CG-CD1 4.32Å; E262-L266 WeakPolarHBondContact O-CB 2.88Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 2.98Å
263	R	94.8	Very high	95	Very high	150 Å²	150	107.8 Å²	107.8	57%	0.566	52%	0.515	S	S	*	.	H	α-helix	trans	-58.5	-45.3	172.9	178.7	-153.7	65.2	-179.8	-4.4	111.8	L259 R260 L266 S267	L259-R263 WeakPolarHBondContact O-CB 3.49Å; L259-R263 PolarHBondContact O-N 2.87Å; R260-R263 WeakPolarHBondContact O-CB 3.27Å; R260-R263 PolarHBondContact O-N 2.96Å; R263-L266 PolarHBondContact O-N 3.46Å; R263-S267 WeakPolarHBondContact O-CB 3.45Å; R263-S267 PolarHBondContact O-N 3.22Å
264	D	95.9	Very high	95.1	Very high	78 Å²	78	106.9 Å²	106.9	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-43	-177.5	-65.6	-13.2	0	0	0	110.9	R260 K261 E262 L266 S267 E268	R260-D264 PolarHBondContact O-N 3.5Å; K261-D264 PolarHBondContact O-N 3.25Å; E262-D264 VanDerWaalsContact C-N 3.35Å; E262-D264 PolarHBondContact O-N 3.48Å; D264-L266 PolarHBondContact O-N 3.49Å; D264-S267 WeakPolarHBondContact O-CB 3.44Å; D264-S267 PolarHBondContact O-N 2.86Å; D264-E268 PolarHBondContact O-N 2.91Å
265	M	95.1	Very high	95.1	Very high	114 Å²	114	106.8 Å²	106.8	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-60.4	-44	172.8	-70.1	-171.4	-58	0	0	112.3	K261 E262 S267 E268 Q269	K261-M265 WeakPolarHBondContact O-CG 3.42Å; K261-M265 PolarHBondContact O-N 2.91Å; E262-M265 PolarHBondContact O-N 3.38Å; M265-S267 VanDerWaalsContact C-N 3.31Å; M265-S267 PolarHBondContact O-N 2.98Å; M265-E268 PolarHBondContact O-N 3.24Å; M265-Q269 WeakPolarHBondContact O-CG 3.27Å; M265-Q269 PolarHBondContact O-N 3.17Å
266	L	95	Very high	95.2	Very high	98 Å²	98	106.1 Å²	106.1	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-65.8	-34.6	177.2	-74.1	172.1	0	0	0	112	E262 R263 D264 R270	E262-L266 HydrophobicContact CG-CD1 4.32Å; E262-L266 WeakPolarHBondContact O-CB 2.88Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 2.98Å; R263-L266 PolarHBondContact O-N 3.46Å; D264-L266 PolarHBondContact O-N 3.49Å; L266-R270 WeakPolarHBondContact O-CB 3.46Å; L266-R270 PolarHBondContact O-N 3.03Å
267	S	94.4	Very high	95.3	Very high	54 Å²	54	105.7 Å²	105.7	38%	0.378	50%	0.5	S	S	.	.	H	α-helix	trans	-65.5	-44.2	175.7	-169.7	0	0	0	0	111.6	R263 D264 M265 R270 E271	R263-S267 WeakPolarHBondContact O-CB 3.45Å; R263-S267 PolarHBondContact O-N 3.22Å; D264-S267 WeakPolarHBondContact O-CB 3.44Å; D264-S267 PolarHBondContact O-N 2.86Å; M265-S267 VanDerWaalsContact C-N 3.31Å; M265-S267 PolarHBondContact O-N 2.98Å; S267-R270 WeakPolarHBondContact O-CB 3.29Å; S267-R270 PolarHBondContact O-N 3.05Å; S267-E271 PolarHBondContact O-N 2.75Å
268	E	95	Very high	95.3	Very high	132 Å²	132	109 Å²	109	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-44.2	176.7	-172.3	176.2	-169.4	0	0	111.2	D264 M265 R270 E271 V272	D264-E268 PolarHBondContact O-N 2.91Å; M265-E268 PolarHBondContact O-N 3.24Å; E268-R270 VanDerWaalsContact C-N 3.3Å; E268-R270 PolarHBondContact O-N 2.94Å; E268-E271 PolarHBondContact O-N 3.31Å; E268-V272 WeakPolarHBondContact O-CG2 3.31Å; E268-V272 PolarHBondContact O-N 3.48Å; E268-V272 VanDerWaalsContact O-N 3.07Å
269	Q	95.4	Very high	95.3	Very high	119 Å²	119	108.6 Å²	108.6	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-39.5	173.6	-73.7	179.8	-6.2	0	0	112.4	M265 V272 L273	M265-Q269 WeakPolarHBondContact O-CG 3.27Å; M265-Q269 PolarHBondContact O-N 3.17Å; Q269-V272 PolarHBondContact O-N 3.46Å; Q269-L273 WeakPolarHBondContact O-CG 3.37Å; Q269-L273 PolarHBondContact O-N 3.26Å
270	R	95.6	Very high	95.2	Very high	147 Å²	147	108.2 Å²	108.2	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-64	-43.4	177.2	-162.7	-173.2	84.9	-139.3	-4	111.4	L266 S267 E268 L273 E274	L266-R270 WeakPolarHBondContact O-CB 3.46Å; L266-R270 PolarHBondContact O-N 3.03Å; S267-R270 WeakPolarHBondContact O-CB 3.29Å; S267-R270 PolarHBondContact O-N 3.05Å; E268-R270 VanDerWaalsContact C-N 3.3Å; E268-R270 PolarHBondContact O-N 2.94Å; R270-L273 PolarHBondContact O-N 2.76Å; R270-E274 HydrophobicContact CG-CG 4.49Å; R270-E274 WeakPolarHBondContact CG-OE1 3.44Å; R270-E274 IonicContact CZ-OE1 3.24Å; R270-E274 IonicContact NE-OE1 2.92Å; R270-E274 PolarHBondContact NE-OE1 2.95Å; R270-E274 IonicContact NH2-OE1 2.86Å; R270-E274 WeakPolarHBondContact O-CB 3.38Å; R270-E274 VanDerWaalsContact O-CG 3.3Å; R270-E274 WeakPolarHBondContact O-CG 3.33Å; R270-E274 PolarHBondContact O-N 2.96Å
271	E	95.5	Very high	95.2	Very high	122 Å²	122	109.9 Å²	109.9	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-60.9	-44.9	177.6	-172.8	174.7	-179.3	0	0	111.5	S267 E268 L273 E274 D275	S267-E271 PolarHBondContact O-N 2.75Å; E268-E271 PolarHBondContact O-N 3.31Å; E271-L273 PolarHBondContact O-N 3.24Å; E271-E274 PolarHBondContact O-N 3.29Å; E271-D275 PolarHBondContact O-N 3.2Å
272	V	96	Very high	95.2	Very high	77 Å²	77	108.1 Å²	108.1	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-45.5	175.7	174.8	0	0	0	0	111.7	E268 Q269 D275 E276	E268-V272 WeakPolarHBondContact O-CG2 3.31Å; E268-V272 PolarHBondContact O-N 3.48Å; E268-V272 VanDerWaalsContact O-N 3.07Å; Q269-V272 PolarHBondContact O-N 3.46Å; V272-D275 WeakPolarHBondContact O-CB 3.5Å; V272-D275 PolarHBondContact O-N 3.16Å; V272-E276 WeakPolarHBondContact O-CG 3.47Å; V272-E276 PolarHBondContact O-N 3.01Å
273	L	94.8	Very high	95.2	Very high	109 Å²	109	109.1 Å²	109.1	57%	0.571	52%	0.517	S	S	*	.	H	α-helix	trans	-66.5	-37.6	178.6	-74.5	171.3	0	0	0	112.5	Q269 R270 E271 D275 E276 L277	Q269-L273 WeakPolarHBondContact O-CG 3.37Å; Q269-L273 PolarHBondContact O-N 3.26Å; R270-L273 PolarHBondContact O-N 2.76Å; E271-L273 PolarHBondContact O-N 3.24Å; L273-D275 VanDerWaalsContact C-N 3.31Å; L273-E276 PolarHBondContact O-N 2.9Å; L273-L277 VanDerWaalsContact O-CB 3.28Å; L273-L277 WeakPolarHBondContact O-CB 3.24Å; L273-L277 PolarHBondContact O-N 3.42Å
274	E	95.3	Very high	95.1	Very high	88 Å²	88	104.6 Å²	104.6	41%	0.411	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-39	173.9	-77.2	174.6	-163.7	0	0	111.2	R270 E271 R278	R270-E274 HydrophobicContact CG-CG 4.49Å; R270-E274 WeakPolarHBondContact CG-OE1 3.44Å; R270-E274 IonicContact CZ-OE1 3.24Å; R270-E274 IonicContact NE-OE1 2.92Å; R270-E274 PolarHBondContact NE-OE1 2.95Å; R270-E274 IonicContact NH2-OE1 2.86Å; R270-E274 WeakPolarHBondContact O-CB 3.38Å; R270-E274 VanDerWaalsContact O-CG 3.3Å; R270-E274 WeakPolarHBondContact O-CG 3.33Å; R270-E274 PolarHBondContact O-N 2.96Å; E271-E274 PolarHBondContact O-N 3.29Å; E274-R278 WeakPolarHBondContact O-CB 3.34Å; E274-R278 PolarHBondContact O-N 3.34Å
275	D	95.8	Very high	95.1	Very high	61 Å²	61	104 Å²	104	33%	0.326	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-45.8	174.7	-88.2	17.9	0	0	0	112.9	E271 V272 L273 R278 K279	E271-D275 PolarHBondContact O-N 3.2Å; V272-D275 WeakPolarHBondContact O-CB 3.5Å; V272-D275 PolarHBondContact O-N 3.16Å; L273-D275 VanDerWaalsContact C-N 3.31Å; D275-R278 VanDerWaalsContact CG-NH1 3.31Å; D275-R278 WeakPolarHBondContact O-CB 3.42Å; D275-R278 PolarHBondContact O-N 2.89Å; D275-R278 IonicContact OD1-CZ 3.18Å; D275-R278 IonicContact OD1-NH1 3.84Å; D275-R278 PolarHBondContact OD1-NH1 3.44Å; D275-R278 IonicContact OD1-NH2 2.61Å; D275-R278 PolarHBondContact OD1-NH2 2.73Å; D275-R278 IonicContact OD2-NH1 3.83Å; D275-K279 WeakPolarHBondContact O-CG 3.24Å; D275-K279 PolarHBondContact O-N 2.83Å
276	E	95.4	Very high	95	Very high	113 Å²	113	104.1 Å²	104.1	53%	0.528	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-44.3	175.3	-72.8	-178.3	169.5	0	0	111.8	V272 L273 R278 K279 S280	V272-E276 WeakPolarHBondContact O-CG 3.47Å; V272-E276 PolarHBondContact O-N 3.01Å; L273-E276 PolarHBondContact O-N 2.9Å; E276-R278 VanDerWaalsContact C-N 3.27Å; E276-R278 PolarHBondContact O-N 3.14Å; E276-K279 PolarHBondContact O-N 3.49Å; E276-S280 PolarHBondContact O-N 3.22Å
277	L	94.8	Very high	95	Very high	89 Å²	89	105.1 Å²	105.1	47%	0.466	52%	0.518	S	S	.	.	H	α-helix	trans	-60.9	-39.3	175.7	-178.5	63.9	0	0	0	111.2	L273 S280 R281	L273-L277 VanDerWaalsContact O-CB 3.28Å; L273-L277 WeakPolarHBondContact O-CB 3.24Å; L273-L277 PolarHBondContact O-N 3.42Å; L277-S280 PolarHBondContact O-N 3.39Å; L277-R281 WeakPolarHBondContact O-CB 3.43Å; L277-R281 VanDerWaalsContact O-CG 3.27Å; L277-R281 WeakPolarHBondContact O-CG 3.5Å; L277-R281 PolarHBondContact O-N 3.06Å
278	R	95.8	Very high	95	Very high	136 Å²	136	105.5 Å²	105.5	51%	0.513	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-44.2	176.7	-163.9	-175.6	-46.6	105	8.7	111.6	E274 D275 E276 R281 L282	E274-R278 WeakPolarHBondContact O-CB 3.34Å; E274-R278 PolarHBondContact O-N 3.34Å; D275-R278 VanDerWaalsContact CG-NH1 3.31Å; D275-R278 WeakPolarHBondContact O-CB 3.42Å; D275-R278 PolarHBondContact O-N 2.89Å; D275-R278 IonicContact OD1-CZ 3.18Å; D275-R278 IonicContact OD1-NH1 3.84Å; D275-R278 PolarHBondContact OD1-NH1 3.44Å; D275-R278 IonicContact OD1-NH2 2.61Å; D275-R278 PolarHBondContact OD1-NH2 2.73Å; D275-R278 IonicContact OD2-NH1 3.83Å; E276-R278 VanDerWaalsContact C-N 3.27Å; E276-R278 PolarHBondContact O-N 3.14Å; R278-R281 PolarHBondContact O-N 3.09Å; R278-L282 PolarHBondContact O-N 3.39Å; R278-L282 VanDerWaalsContact O-N 3.08Å
279	K	95.3	Very high	94.9	Very high	137 Å²	137	103.6 Å²	103.6	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-61.8	-49.9	175.8	-70.7	173	-175.2	171.2	0	111.3	D275 E276 R281 L282 E283	D275-K279 WeakPolarHBondContact O-CG 3.24Å; D275-K279 PolarHBondContact O-N 2.83Å; E276-K279 PolarHBondContact O-N 3.49Å; K279-R281 VanDerWaalsContact C-N 3.29Å; K279-R281 PolarHBondContact O-N 2.69Å; K279-L282 WeakPolarHBondContact O-CB 3.38Å; K279-L282 PolarHBondContact O-N 3.15Å; K279-E283 WeakPolarHBondContact O-CG 3.49Å; K279-E283 PolarHBondContact O-N 3.16Å
280	S	92.6	Very high	94.9	Very high	67 Å²	67	104.2 Å²	104.2	47%	0.469	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-37.3	178.7	-176.1	0	0	0	0	112.5	E276 L277 E283 A284	E276-S280 PolarHBondContact O-N 3.22Å; L277-S280 PolarHBondContact O-N 3.39Å; S280-E283 PolarHBondContact O-N 2.89Å; S280-A284 WeakPolarHBondContact O-CB 3.49Å; S280-A284 PolarHBondContact O-N 3.48Å
281	R	96.1	Very high	94.9	Very high	175 Å²	175	101.9 Å²	101.9	66%	0.66	51%	0.511	S	S	*	.	H	α-helix	trans	-64.4	-38.9	173.3	-78.1	177.2	177.2	-174.9	1	112.8	L277 R278 K279 S285	L277-R281 WeakPolarHBondContact O-CB 3.43Å; L277-R281 VanDerWaalsContact O-CG 3.27Å; L277-R281 WeakPolarHBondContact O-CG 3.5Å; L277-R281 PolarHBondContact O-N 3.06Å; R278-R281 PolarHBondContact O-N 3.09Å; K279-R281 VanDerWaalsContact C-N 3.29Å; K279-R281 PolarHBondContact O-N 2.69Å; R281-S285 WeakPolarHBondContact O-CB 3.48Å; R281-S285 PolarHBondContact O-N 3.01Å
282	L	95.2	Very high	94.8	Very high	110 Å²	110	100.6 Å²	100.6	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-64.3	-48.7	176.6	-161.3	99.1	0	0	0	110.5	R278 K279 A284 S285 E286	R278-L282 PolarHBondContact O-N 3.39Å; R278-L282 VanDerWaalsContact O-N 3.08Å; K279-L282 WeakPolarHBondContact O-CB 3.38Å; K279-L282 PolarHBondContact O-N 3.15Å; L282-A284 VanDerWaalsContact C-N 3.34Å; L282-A284 PolarHBondContact O-N 2.98Å; L282-S285 WeakPolarHBondContact O-CB 3.04Å; L282-S285 PolarHBondContact O-N 3.25Å; L282-S285 VanDerWaalsContact O-N 3.13Å; L282-E286 WeakPolarHBondContact O-CG 3.44Å; L282-E286 PolarHBondContact O-N 3.37Å
283	E	94.8	Very high	94.7	Very high	115 Å²	115	103 Å²	103	54%	0.537	51%	0.505	S	S	.	.	H	α-helix	trans	-59.5	-43	177	-68.6	172.4	-177.6	0	0	112	K279 S280 S285 E286 L287	K279-E283 WeakPolarHBondContact O-CG 3.49Å; K279-E283 PolarHBondContact O-N 3.16Å; S280-E283 PolarHBondContact O-N 2.89Å; E283-S285 VanDerWaalsContact C-N 3.32Å; E283-S285 PolarHBondContact O-N 2.73Å; E283-E286 PolarHBondContact O-N 3.06Å; E283-L287 WeakPolarHBondContact O-CB 3.35Å; E283-L287 WeakPolarHBondContact O-CG 3.49Å; E283-L287 PolarHBondContact O-N 3.26Å
284	A	94.3	Very high	94.6	Very high	56 Å²	56	100.1 Å²	100.1	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-39	175.8	0	0	0	0	0	112.2	S280 L282 S288	S280-A284 WeakPolarHBondContact O-CB 3.49Å; S280-A284 PolarHBondContact O-N 3.48Å; L282-A284 VanDerWaalsContact C-N 3.34Å; L282-A284 PolarHBondContact O-N 2.98Å; A284-S288 WeakPolarHBondContact O-CB 3.48Å; A284-S288 PolarHBondContact O-N 3.05Å
285	S	94.1	Very high	94.5	Very high	64 Å²	64	100.7 Å²	100.7	45%	0.448	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-44	174.8	-174.8	0	0	0	0	111.7	R281 L282 E283 S288 N289	R281-S285 WeakPolarHBondContact O-CB 3.48Å; R281-S285 PolarHBondContact O-N 3.01Å; L282-S285 WeakPolarHBondContact O-CB 3.04Å; L282-S285 PolarHBondContact O-N 3.25Å; L282-S285 VanDerWaalsContact O-N 3.13Å; E283-S285 VanDerWaalsContact C-N 3.32Å; E283-S285 PolarHBondContact O-N 2.73Å; S285-S288 PolarHBondContact O-N 3.05Å; S285-N289 VanDerWaalsContact O-CG 3.3Å; S285-N289 PolarHBondContact O-N 3.03Å; S285-N289 PolarHBondContact O-ND2 3.35Å; S285-N289 VanDerWaalsContact O-ND2 3.16Å
286	E	94.4	Very high	94.4	Very high	117 Å²	117	103.6 Å²	103.6	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-61.5	-45.5	176	-71.5	180	177.1	0	0	112.2	L282 E283 S288 N289 Y290	L282-E286 WeakPolarHBondContact O-CG 3.44Å; L282-E286 PolarHBondContact O-N 3.37Å; E283-E286 PolarHBondContact O-N 3.06Å; E286-S288 VanDerWaalsContact C-N 3.35Å; E286-S288 PolarHBondContact O-N 2.97Å; E286-N289 PolarHBondContact O-N 3.25Å; E286-Y290 WeakPolarHBondContact O-CB 3.35Å; E286-Y290 PolarHBondContact O-N 2.85Å
287	L	94.8	Very high	94.3	Very high	119 Å²	119	103.5 Å²	103.5	62%	0.623	50%	0.501	S	S	*	.	H	α-helix	trans	-63	-40.6	175.6	-74.8	169.5	0	0	0	111.9	E283 Y290 L291	E283-L287 WeakPolarHBondContact O-CB 3.35Å; E283-L287 WeakPolarHBondContact O-CG 3.49Å; E283-L287 PolarHBondContact O-N 3.26Å; L287-Y290 PolarHBondContact O-N 2.83Å; L287-L291 VanDerWaalsContact O-CB 3.3Å; L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.3Å
288	S	94.3	Very high	94.2	Very high	62 Å²	62	102.6 Å²	102.6	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-60.8	-47.2	175.4	-168.8	0	0	0	0	111.2	A284 S285 E286 Y290 L291 E292	A284-S288 WeakPolarHBondContact O-CB 3.48Å; A284-S288 PolarHBondContact O-N 3.05Å; S285-S288 PolarHBondContact O-N 3.05Å; E286-S288 VanDerWaalsContact C-N 3.35Å; E286-S288 PolarHBondContact O-N 2.97Å; S288-Y290 VanDerWaalsContact C-N 3.33Å; S288-Y290 PolarHBondContact O-N 3.06Å; S288-L291 PolarHBondContact O-N 3.18Å; S288-E292 PolarHBondContact O-N 3.3Å
289	N	93.6	Very high	94.1	Very high	93 Å²	93	102.3 Å²	102.3	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-40.1	176.8	-71.5	-33.8	0	0	0	112.2	S285 E286 R293	S285-N289 VanDerWaalsContact O-CG 3.3Å; S285-N289 PolarHBondContact O-N 3.03Å; S285-N289 PolarHBondContact O-ND2 3.35Å; S285-N289 VanDerWaalsContact O-ND2 3.16Å; E286-N289 PolarHBondContact O-N 3.25Å; N289-R293 PolarHBondContact O-N 2.83Å
290	Y	95	Very high	93.9	Very high	131 Å²	131	99 Å²	99	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-45.9	174.6	-179.3	-92.2	0	0	0	111.4	E286 L287 S288 E292 R293 V294	E286-Y290 WeakPolarHBondContact O-CB 3.35Å; E286-Y290 PolarHBondContact O-N 2.85Å; L287-Y290 PolarHBondContact O-N 2.83Å; S288-Y290 VanDerWaalsContact C-N 3.33Å; S288-Y290 PolarHBondContact O-N 3.06Å; Y290-E292 PolarHBondContact O-N 3.47Å; Y290-R293 VanDerWaalsContact CE2-NH2 3.31Å; Y290-R293 WeakPolarHBondContact O-CB 3.46Å; Y290-R293 PolarHBondContact O-N 3.23Å; Y290-R293 VanDerWaalsContact O-N 3.13Å; Y290-V294 HydrophobicContact CD1-CG2 4.03Å; Y290-V294 HydrophobicContact CE1-CG2 3.55Å; Y290-V294 HydrophobicContact CE2-CG2 4.46Å; Y290-V294 WeakPolarHBondContact O-CG2 3.49Å; Y290-V294 PolarHBondContact O-N 2.91Å
291	L	94.3	Very high	93.8	Very high	98 Å²	98	98.7 Å²	98.7	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-40.6	-179.8	-166	142.6	0	0	0	111.2	L287 S288 R293 V294 Q295	L287-L291 VanDerWaalsContact O-CB 3.3Å; L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.3Å; S288-L291 PolarHBondContact O-N 3.18Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.15Å; L291-V294 PolarHBondContact O-N 2.94Å; L291-Q295 HydrophobicContact CD2-CG 4.08Å; L291-Q295 VanDerWaalsContact CD2-NE2 3.27Å; L291-Q295 WeakPolarHBondContact O-CB 3.48Å; L291-Q295 VanDerWaalsContact O-CG 3.27Å; L291-Q295 WeakPolarHBondContact O-CG 3.36Å; L291-Q295 PolarHBondContact O-N 3.01Å
292	E	93.5	Very high	93.6	Very high	95 Å²	95	99.1 Å²	99.1	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-59.7	-40.9	171.4	-77.6	-172.1	-172.4	0	0	112.6	S288 Y290 Q295 R296	S288-E292 PolarHBondContact O-N 3.3Å; Y290-E292 PolarHBondContact O-N 3.47Å; E292-Q295 PolarHBondContact O-N 3.2Å; E292-R296 WeakPolarHBondContact O-CB 3.34Å; E292-R296 PolarHBondContact O-N 3.1Å
293	R	94.3	Very high	93.4	Very high	127 Å²	127	99.8 Å²	99.8	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-63.4	-49.3	176.7	-175.1	175.3	64.9	-171.2	0.1	111.6	N289 Y290 L291 Q295 R296 E297	N289-R293 PolarHBondContact O-N 2.83Å; Y290-R293 VanDerWaalsContact CE2-NH2 3.31Å; Y290-R293 WeakPolarHBondContact O-CB 3.46Å; Y290-R293 PolarHBondContact O-N 3.23Å; Y290-R293 VanDerWaalsContact O-N 3.13Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.15Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; R293-Q295 PolarHBondContact O-N 3Å; R293-R296 WeakPolarHBondContact O-CB 3.42Å; R293-R296 PolarHBondContact O-N 2.93Å; R293-R296 VanDerWaalsContact O-N 3.14Å; R293-E297 PolarHBondContact O-N 2.88Å
294	V	93.7	Very high	93.2	Very high	49 Å²	49	100.7 Å²	100.7	30%	0.297	48%	0.476	S	S	.	.	H	α-helix	trans	-61.8	-43	177.3	173.9	0	0	0	0	111	Y290 L291 R296 E297 V298	Y290-V294 HydrophobicContact CD1-CG2 4.03Å; Y290-V294 HydrophobicContact CE1-CG2 3.55Å; Y290-V294 HydrophobicContact CE2-CG2 4.46Å; Y290-V294 WeakPolarHBondContact O-CG2 3.49Å; Y290-V294 PolarHBondContact O-N 2.91Å; L291-V294 PolarHBondContact O-N 2.94Å; V294-R296 VanDerWaalsContact C-N 3.27Å; V294-R296 PolarHBondContact O-N 3.48Å; V294-E297 PolarHBondContact O-N 3.45Å; V294-V298 HydrophobicContact CG1-CG2 4.35Å; V294-V298 WeakPolarHBondContact O-CG2 3.29Å; V294-V298 PolarHBondContact O-N 3.46Å
295	Q	93.4	Very high	92.9	Very high	101 Å²	101	106 Å²	106	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-37.2	175.6	-77.6	-175.8	-8	0	0	112.3	L291 E292 R293 R299	L291-Q295 HydrophobicContact CD2-CG 4.08Å; L291-Q295 VanDerWaalsContact CD2-NE2 3.27Å; L291-Q295 WeakPolarHBondContact O-CB 3.48Å; L291-Q295 VanDerWaalsContact O-CG 3.27Å; L291-Q295 WeakPolarHBondContact O-CG 3.36Å; L291-Q295 PolarHBondContact O-N 3.01Å; E292-Q295 PolarHBondContact O-N 3.2Å; R293-Q295 VanDerWaalsContact C-N 3.34Å; R293-Q295 PolarHBondContact O-N 3Å; Q295-R299 VanDerWaalsContact O-CB 3.31Å; Q295-R299 WeakPolarHBondContact O-CB 3.12Å; Q295-R299 PolarHBondContact O-N 2.94Å
296	R	93.4	Very high	92.7	Very high	122 Å²	122	105.8 Å²	105.8	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-48.4	174.8	-164.5	-178.8	-60.1	104.9	3.1	111.2	E292 R293 V294 V298 R299 D300	E292-R296 WeakPolarHBondContact O-CB 3.34Å; E292-R296 PolarHBondContact O-N 3.1Å; R293-R296 WeakPolarHBondContact O-CB 3.42Å; R293-R296 PolarHBondContact O-N 2.93Å; R293-R296 VanDerWaalsContact O-N 3.14Å; V294-R296 VanDerWaalsContact C-N 3.27Å; V294-R296 PolarHBondContact O-N 3.48Å; R296-V298 PolarHBondContact O-N 3.21Å; R296-R299 WeakPolarHBondContact O-CB 3.32Å; R296-R299 PolarHBondContact O-N 3.16Å; R296-R299 VanDerWaalsContact O-N 3.14Å; R296-D300 PolarHBondContact O-N 3.41Å
297	E	93.2	Very high	92.4	Very high	110 Å²	110	106 Å²	106	51%	0.514	49%	0.489	S	S	.	.	H	α-helix	trans	-58.7	-45.6	176.9	-72.2	172.1	-168.4	0	0	112.4	R293 V294 R299 D300 E301	R293-E297 PolarHBondContact O-N 2.88Å; V294-E297 PolarHBondContact O-N 3.45Å; E297-R299 VanDerWaalsContact C-N 3.32Å; E297-R299 PolarHBondContact O-N 2.9Å; E297-D300 PolarHBondContact O-N 3Å; E297-E301 WeakPolarHBondContact O-CB 3.39Å; E297-E301 PolarHBondContact O-N 3.44Å
298	V	93.2	Very high	92	Very high	71 Å²	71	103.8 Å²	103.8	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-62.5	-40.5	176.1	171.8	0	0	0	0	111.2	V294 R296 R302	V294-V298 HydrophobicContact CG1-CG2 4.35Å; V294-V298 WeakPolarHBondContact O-CG2 3.29Å; V294-V298 PolarHBondContact O-N 3.46Å; R296-V298 PolarHBondContact O-N 3.21Å; V298-R302 WeakPolarHBondContact O-CB 3.24Å; V298-R302 WeakPolarHBondContact O-CG 3.35Å; V298-R302 PolarHBondContact O-N 2.94Å
299	R	92	Very high	91.7	Very high	130 Å²	130	103.9 Å²	103.9	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-42.4	177.3	-169.6	-176.1	-67.6	107.5	-4.3	111	Q295 R296 E297 R302 K303	Q295-R299 VanDerWaalsContact O-CB 3.31Å; Q295-R299 WeakPolarHBondContact O-CB 3.12Å; Q295-R299 PolarHBondContact O-N 2.94Å; R296-R299 WeakPolarHBondContact O-CB 3.32Å; R296-R299 PolarHBondContact O-N 3.16Å; R296-R299 VanDerWaalsContact O-N 3.14Å; E297-R299 VanDerWaalsContact C-N 3.32Å; E297-R299 PolarHBondContact O-N 2.9Å; R299-R302 PolarHBondContact O-N 3.49Å; R299-K303 WeakPolarHBondContact O-CG 3.27Å; R299-K303 PolarHBondContact O-N 3.31Å
300	D	92.2	Very high	91.4	Very high	67 Å²	67	106.7 Å²	106.7	36%	0.358	49%	0.491	S	S	.	.	H	α-helix	trans	-73.1	-35.8	179.8	-66.6	-23	0	0	0	112.2	R296 E297 K303 R304	R296-D300 PolarHBondContact O-N 3.41Å; E297-D300 PolarHBondContact O-N 3Å; D300-K303 WeakPolarHBondContact O-CB 3.37Å; D300-K303 PolarHBondContact O-N 3.41Å; D300-K303 IonicContact OD1-NZ 3.46Å; D300-R304 PolarHBondContact O-N 3.17Å
301	E	90.8	Very high	91.1	Very high	60 Å²	60	103.9 Å²	103.9	28%	0.28	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-45.6	170.8	-178.3	63.9	-149.8	0	0	111.4	E297 K303 R304 R305	E297-E301 WeakPolarHBondContact O-CB 3.39Å; E297-E301 PolarHBondContact O-N 3.44Å; E301-K303 VanDerWaalsContact C-N 3.33Å; E301-K303 PolarHBondContact O-N 3.3Å; E301-R304 PolarHBondContact O-N 3.42Å; E301-R304 IonicContact OE1-NH1 3.21Å; E301-R304 IonicContact OE2-CZ 2.65Å; E301-R304 IonicContact OE2-NH1 3.78Å; E301-R304 PolarHBondContact OE2-NH1 2.96Å; E301-R304 IonicContact OE2-NH2 3.34Å; E301-R304 PolarHBondContact OE2-NH2 2.97Å; E301-R305 WeakPolarHBondContact O-CG 3.38Å; E301-R305 PolarHBondContact O-N 2.93Å; E301-R305 IonicContact OE1-CZ 3.68Å; E301-R305 IonicContact OE1-NE 3.96Å; E301-R305 PolarHBondContact OE1-NE 2.97Å; E301-R305 IonicContact OE1-NH2 2.78Å; E301-R305 PolarHBondContact OE1-NH2 3.35Å
302	R	90.9	Very high	90.7	Very high	185 Å²	185	103.6 Å²	103.6	70%	0.698	49%	0.488	S	S	*	.	H	α-helix	trans	-59.6	-43.5	174.5	-77.7	-179.9	178.8	-169.6	0.7	111.5	V298 R299 R305 A306	V298-R302 WeakPolarHBondContact O-CB 3.24Å; V298-R302 WeakPolarHBondContact O-CG 3.35Å; V298-R302 PolarHBondContact O-N 2.94Å; R299-R302 PolarHBondContact O-N 3.49Å; R302-R305 PolarHBondContact O-N 3.29Å; R302-A306 VanDerWaalsContact O-CB 3.3Å; R302-A306 WeakPolarHBondContact O-CB 3.44Å; R302-A306 PolarHBondContact O-N 3.29Å
303	K	91.2	Very high	90.3	Very high	123 Å²	123	104.4 Å²	104.4	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-60.8	-45.2	174.7	-74.2	174.9	-178.6	173.5	0	111.6	R299 D300 E301 A306 M307	R299-K303 WeakPolarHBondContact O-CG 3.27Å; R299-K303 PolarHBondContact O-N 3.31Å; D300-K303 WeakPolarHBondContact O-CB 3.37Å; D300-K303 PolarHBondContact O-N 3.41Å; D300-K303 IonicContact OD1-NZ 3.46Å; E301-K303 VanDerWaalsContact C-N 3.33Å; E301-K303 PolarHBondContact O-N 3.3Å; K303-A306 PolarHBondContact O-N 2.72Å; K303-M307 WeakPolarHBondContact O-CB 3.42Å; K303-M307 PolarHBondContact O-N 2.72Å
304	R	89.8	Confident	89.9	Confident	134 Å²	134	103.5 Å²	103.5	51%	0.506	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-46.8	177.6	-80.9	-172.1	-81.6	95.1	3.1	111.8	D300 E301 A306 M307 S308	D300-R304 PolarHBondContact O-N 3.17Å; E301-R304 PolarHBondContact O-N 3.42Å; E301-R304 IonicContact OE1-NH1 3.21Å; E301-R304 IonicContact OE2-CZ 2.65Å; E301-R304 IonicContact OE2-NH1 3.78Å; E301-R304 PolarHBondContact OE2-NH1 2.96Å; E301-R304 IonicContact OE2-NH2 3.34Å; E301-R304 PolarHBondContact OE2-NH2 2.97Å; R304-A306 PolarHBondContact O-N 3.1Å; R304-M307 PolarHBondContact O-N 2.88Å; R304-S308 PolarHBondContact O-N 3.27Å; R304-S308 PolarHBondContact O-OG 3.14Å
305	R	90	Very high	89.3	Confident	168 Å²	168	107.7 Å²	107.7	63%	0.634	51%	0.512	S	S	*	.	H	α-helix	trans	-62.6	-41.5	176	-69.6	-178.6	-169.1	179	0.4	112.6	E301 R302 M307 S308 A309	E301-R305 WeakPolarHBondContact O-CG 3.38Å; E301-R305 PolarHBondContact O-N 2.93Å; E301-R305 IonicContact OE1-CZ 3.68Å; E301-R305 IonicContact OE1-NE 3.96Å; E301-R305 PolarHBondContact OE1-NE 2.97Å; E301-R305 IonicContact OE1-NH2 2.78Å; E301-R305 PolarHBondContact OE1-NH2 3.35Å; R302-R305 PolarHBondContact O-N 3.29Å; R305-M307 VanDerWaalsContact C-N 3.31Å; R305-M307 PolarHBondContact O-N 3.14Å; R305-S308 PolarHBondContact O-N 3.41Å; R305-A309 WeakPolarHBondContact O-CB 3.37Å; R305-A309 PolarHBondContact O-N 3.43Å
306	A	88.7	Confident	88.8	Confident	59 Å²	59	105.1 Å²	105.1	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-40.4	175.2	0	0	0	0	0	111.5	R302 K303 R304 A309 W310	R302-A306 VanDerWaalsContact O-CB 3.3Å; R302-A306 WeakPolarHBondContact O-CB 3.44Å; R302-A306 PolarHBondContact O-N 3.29Å; K303-A306 PolarHBondContact O-N 2.72Å; R304-A306 PolarHBondContact O-N 3.1Å; A306-A309 PolarHBondContact O-N 3.39Å; A306-W310 WeakPolarHBondContact O-CB 3.27Å; A306-W310 PolarHBondContact O-N 2.94Å
307	M	88	Confident	88.3	Confident	123 Å²	123	101.7 Å²	101.7	61%	0.606	51%	0.506	S	S	*	.	H	α-helix	trans	-68.1	-42.9	177.2	-167.7	171.9	-72.8	0	0	112.1	K303 R304 R305 W310 N311	K303-M307 WeakPolarHBondContact O-CB 3.42Å; K303-M307 PolarHBondContact O-N 2.72Å; R304-M307 PolarHBondContact O-N 2.88Å; R305-M307 VanDerWaalsContact C-N 3.31Å; R305-M307 PolarHBondContact O-N 3.14Å; M307-W310 PolarHBondContact O-N 3.1Å; M307-N311 PolarHBondContact O-N 3.1Å; M307-N311 PolarHBondContact O-OD1 3.01Å
308	S	86.8	Confident	87.8	Confident	72 Å²	72	98.2 Å²	98.2	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-42.9	173.3	-60.6	0	0	0	0	112.1	R304 R305 W310 N311 V312	R304-S308 PolarHBondContact O-N 3.27Å; R304-S308 PolarHBondContact O-OG 3.14Å; R305-S308 PolarHBondContact O-N 3.41Å; S308-W310 VanDerWaalsContact C-N 3.31Å; S308-W310 PolarHBondContact O-N 3.5Å; S308-N311 PolarHBondContact O-N 2.93Å; S308-V312 WeakPolarHBondContact O-CG2 3.13Å; S308-V312 PolarHBondContact O-N 3.22Å
309	A	88.6	Confident	87.4	Confident	63 Å²	63	101.3 Å²	101.3	52%	0.521	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-37.2	175.7	0	0	0	0	0	111.9	R305 A306 N313	R305-A309 WeakPolarHBondContact O-CB 3.37Å; R305-A309 PolarHBondContact O-N 3.43Å; A306-A309 PolarHBondContact O-N 3.39Å; A309-N313 WeakPolarHBondContact O-CB 3.22Å; A309-N313 PolarHBondContact O-N 3.38Å
310	W	86.9	Confident	87.1	Confident	152 Å²	152	103.7 Å²	103.7	58%	0.576	52%	0.519	S	S	*	.	H	α-helix	trans	-64.8	-47.9	174.8	-175.4	81	0	0	0	111.6	A306 M307 S308 V312 N313 E314	A306-W310 WeakPolarHBondContact O-CB 3.27Å; A306-W310 PolarHBondContact O-N 2.94Å; M307-W310 PolarHBondContact O-N 3.1Å; S308-W310 VanDerWaalsContact C-N 3.31Å; S308-W310 PolarHBondContact O-N 3.5Å; W310-V312 PolarHBondContact O-N 3.2Å; W310-N313 CarbonylContact O-C 3.58Å; W310-N313 PolarHBondContact O-N 2.71Å; W310-N313 VanDerWaalsContact O-N 3.16Å; W310-E314 VanDerWaalsContact CH2-CD 3.45Å; W310-E314 WeakPolarHBondContact CH2-OE1 3.39Å; W310-E314 WeakPolarHBondContact CH2-OE2 3.42Å; W310-E314 WeakPolarHBondContact CZ3-OE2 3.38Å; W310-E314 WeakPolarHBondContact O-CB 3.2Å; W310-E314 PolarHBondContact O-N 3.04Å
311	N	87.9	Confident	86.7	Confident	72 Å²	72	105.4 Å²	105.4	39%	0.385	53%	0.525	S	S	.	.	H	α-helix	trans	-58.2	-46.2	176.9	-70.4	0.6	0	0	0	112.1	M307 S308 N313 E314 E315	M307-N311 PolarHBondContact O-N 3.1Å; M307-N311 PolarHBondContact O-OD1 3.01Å; S308-N311 PolarHBondContact O-N 2.93Å; N311-N313 VanDerWaalsContact C-N 3.31Å; N311-N313 PolarHBondContact O-N 3.34Å; N311-E314 PolarHBondContact O-N 3.47Å; N311-E315 WeakPolarHBondContact O-CG 3.24Å; N311-E315 PolarHBondContact O-N 3.41Å
312	V	85.8	Confident	86.3	Confident	93 Å²	93	105.1 Å²	105.1	56%	0.564	53%	0.532	S	S	*	.	H	α-helix	trans	-62.4	-40.1	177.6	172.2	0	0	0	0	111.1	S308 W310 A316	S308-V312 WeakPolarHBondContact O-CG2 3.13Å; S308-V312 PolarHBondContact O-N 3.22Å; W310-V312 PolarHBondContact O-N 3.2Å; V312-A316 VanDerWaalsContact O-CB 3.27Å; V312-A316 WeakPolarHBondContact O-CB 3.39Å; V312-A316 PolarHBondContact O-N 3.28Å
313	N	85.1	Confident	85.9	Confident	112 Å²	112	101.1 Å²	101.1	60%	0.599	52%	0.524	S	S	*	.	H	α-helix	trans	-70.6	-32.5	177.8	-169.1	65	0	0	0	112.3	A309 W310 N311 A317	A309-N313 WeakPolarHBondContact O-CB 3.22Å; A309-N313 PolarHBondContact O-N 3.38Å; W310-N313 CarbonylContact O-C 3.58Å; W310-N313 PolarHBondContact O-N 2.71Å; W310-N313 VanDerWaalsContact O-N 3.16Å; N311-N313 VanDerWaalsContact C-N 3.31Å; N311-N313 PolarHBondContact O-N 3.34Å; N313-A317 WeakPolarHBondContact O-CB 3.28Å; N313-A317 PolarHBondContact O-N 3Å
314	E	86.4	Confident	85.4	Confident	107 Å²	107	99.4 Å²	99.4	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-46	173.2	-174	177.3	-148.8	0	0	111.2	W310 N311 A317 G318	W310-E314 VanDerWaalsContact CH2-CD 3.45Å; W310-E314 WeakPolarHBondContact CH2-OE1 3.39Å; W310-E314 WeakPolarHBondContact CH2-OE2 3.42Å; W310-E314 WeakPolarHBondContact CZ3-OE2 3.38Å; W310-E314 WeakPolarHBondContact O-CB 3.2Å; W310-E314 PolarHBondContact O-N 3.04Å; N311-E314 PolarHBondContact O-N 3.47Å; E314-A317 PolarHBondContact O-N 3.22Å; E314-G318 PolarHBondContact O-N 3.4Å
315	E	82.1	Confident	85	Confident	137 Å²	137	100.9 Å²	100.9	64%	0.64	53%	0.526	S	S	*	.	H	α-helix	trans	-58.9	-48.4	173.2	-74.4	178.2	174.6	0	0	111.1	N311 A317 G318 E319	N311-E315 WeakPolarHBondContact O-CG 3.24Å; N311-E315 PolarHBondContact O-N 3.41Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 2.98Å; E315-G318 PolarHBondContact O-N 2.65Å; E315-G318 VanDerWaalsContact O-N 3.17Å; E315-E319 PolarHBondContact O-N 3.41Å
316	A	82.9	Confident	84.4	Confident	47 Å²	47	98.9 Å²	98.9	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-35.8	177	0	0	0	0	0	112.7	V312 R320	V312-A316 VanDerWaalsContact O-CB 3.27Å; V312-A316 WeakPolarHBondContact O-CB 3.39Å; V312-A316 PolarHBondContact O-N 3.28Å; A316-R320 VanDerWaalsContact O-CB 3.29Å; A316-R320 WeakPolarHBondContact O-CB 3.01Å; A316-R320 PolarHBondContact O-N 3.5Å
317	A	80.9	Confident	83.8	Confident	50 Å²	50	101.2 Å²	101.2	41%	0.413	53%	0.528	S	S	.	.	H	α-helix	trans	-66.6	-41.5	173.7	0	0	0	0	0	111.1	N313 E314 E315 R320 E321	N313-A317 WeakPolarHBondContact O-CB 3.28Å; N313-A317 PolarHBondContact O-N 3Å; E314-A317 PolarHBondContact O-N 3.22Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 2.98Å; A317-R320 PolarHBondContact O-N 3Å; A317-E321 WeakPolarHBondContact O-CB 3.46Å; A317-E321 PolarHBondContact O-N 2.94Å
318	G	84.4	Confident	83.1	Confident	38 Å²	38	100.9 Å²	100.9	39%	0.392	53%	0.525	S	S	.	.	H	α-helix	trans	-61.4	-45.4	174.4	0	0	0	0	0	112.5	E314 E315 E321 A322	E314-G318 PolarHBondContact O-N 3.4Å; E315-G318 PolarHBondContact O-N 2.65Å; E315-G318 VanDerWaalsContact O-N 3.17Å; G318-E321 PolarHBondContact O-N 3.44Å; G318-A322 WeakPolarHBondContact O-CB 3.25Å; G318-A322 PolarHBondContact O-N 2.92Å
319	E	83.7	Confident	82.3	Confident	136 Å²	136	100.1 Å²	100.1	64%	0.636	52%	0.523	S	S	*	.	H	α-helix	trans	-61.6	-44.2	173.6	-72.8	-174	172.6	0	0	111.8	E315 E321 A322 L323	E315-E319 PolarHBondContact O-N 3.41Å; E319-E321 VanDerWaalsContact C-N 3.31Å; E319-E321 PolarHBondContact O-N 3.28Å; E319-A322 PolarHBondContact O-N 2.98Å; E319-L323 WeakPolarHBondContact O-CG 3.17Å; E319-L323 PolarHBondContact O-N 3.31Å
320	R	85.4	Confident	81.2	Confident	180 Å²	180	102 Å²	102	68%	0.679	52%	0.524	S	S	*	.	H	α-helix	trans	-61	-41.7	176.6	-173.8	178.7	-172.7	160.8	2.8	111.5	A316 A317 L323 L324	A316-R320 VanDerWaalsContact O-CB 3.29Å; A316-R320 WeakPolarHBondContact O-CB 3.01Å; A316-R320 PolarHBondContact O-N 3.5Å; A317-R320 PolarHBondContact O-N 3Å; R320-L323 PolarHBondContact O-N 3.4Å; R320-L324 HydrophobicContact CG-CD1 4.31Å; R320-L324 WeakPolarHBondContact O-CB 3.5Å; R320-L324 VanDerWaalsContact O-CG 3.31Å; R320-L324 WeakPolarHBondContact O-CG 3.35Å; R320-L324 PolarHBondContact O-N 2.87Å
321	E	83.4	Confident	80	Confident	103 Å²	103	102.5 Å²	102.5	48%	0.481	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-38.7	177.8	-153.7	-173.1	156.4	0	0	111.4	A317 G318 E319 L324 R325	A317-E321 WeakPolarHBondContact O-CB 3.46Å; A317-E321 PolarHBondContact O-N 2.94Å; G318-E321 PolarHBondContact O-N 3.44Å; E319-E321 VanDerWaalsContact C-N 3.31Å; E319-E321 PolarHBondContact O-N 3.28Å; E321-L324 PolarHBondContact O-N 2.82Å; E321-R325 WeakPolarHBondContact O-CG 3.47Å; E321-R325 PolarHBondContact O-N 3.32Å; E321-R325 IonicContact OE1-CZ 3.25Å; E321-R325 IonicContact OE1-NE 3.99Å; E321-R325 IonicContact OE1-NH2 2.73Å; E321-R325 PolarHBondContact OE1-NH2 2.7Å
322	A	82.5	Confident	78.6	Confident	53 Å²	53	104 Å²	104	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-63.2	-44	173.5	0	0	0	0	0	112.2	G318 E319 R325 Q326	G318-A322 WeakPolarHBondContact O-CB 3.25Å; G318-A322 PolarHBondContact O-N 2.92Å; E319-A322 PolarHBondContact O-N 2.98Å; A322-R325 PolarHBondContact O-N 2.85Å; A322-Q326 PolarHBondContact O-N 2.92Å
323	L	84.2	Confident	77.1	Confident	101 Å²	101	107.2 Å²	107.2	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-39.8	174.8	-72.5	171.7	0	0	0	112	E319 R320 Q326 L327	E319-L323 WeakPolarHBondContact O-CG 3.17Å; E319-L323 PolarHBondContact O-N 3.31Å; R320-L323 PolarHBondContact O-N 3.4Å; L323-Q326 WeakPolarHBondContact O-CB 3.3Å; L323-Q326 PolarHBondContact O-N 3.26Å; L323-L327 PolarHBondContact O-N 3.44Å
324	L	80.4	Confident	75.6	Confident	88 Å²	88	111 Å²	111	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-62.8	-42.7	174.2	-78.2	171.7	0	0	0	111.3	R320 E321 Q326 L327 E328	R320-L324 HydrophobicContact CG-CD1 4.31Å; R320-L324 WeakPolarHBondContact O-CB 3.5Å; R320-L324 VanDerWaalsContact O-CG 3.31Å; R320-L324 WeakPolarHBondContact O-CG 3.35Å; R320-L324 PolarHBondContact O-N 2.87Å; E321-L324 PolarHBondContact O-N 2.82Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 2.96Å; L324-L327 CarbonylContact O-C 3.56Å; L324-L327 WeakPolarHBondContact O-CB 3.48Å; L324-L327 PolarHBondContact O-N 2.93Å; L324-L327 VanDerWaalsContact O-N 3.15Å; L324-E328 WeakPolarHBondContact O-CB 3.48Å; L324-E328 PolarHBondContact O-N 3.44Å
325	R	80	Confident	73.8	Confident	164 Å²	164	110.9 Å²	110.9	62%	0.619	56%	0.56	S	S	*	*	H	α-helix	trans	-61.1	-38.5	173.6	-74	179.3	-169.3	157.6	8.3	112.3	E321 A322 E328 A329	E321-R325 WeakPolarHBondContact O-CG 3.47Å; E321-R325 PolarHBondContact O-N 3.32Å; E321-R325 IonicContact OE1-CZ 3.25Å; E321-R325 IonicContact OE1-NE 3.99Å; E321-R325 IonicContact OE1-NH2 2.73Å; E321-R325 PolarHBondContact OE1-NH2 2.7Å; A322-R325 PolarHBondContact O-N 2.85Å; R325-E328 PolarHBondContact O-N 3.49Å; R325-A329 WeakPolarHBondContact O-CB 3.36Å; R325-A329 PolarHBondContact O-N 2.91Å
326	Q	78.7	Confident	72	Confident	126 Å²	126	115.9 Å²	115.9	59%	0.589	57%	0.573	S	S	*	*	H	α-helix	trans	-65.5	-41.1	172.8	-78.6	-178	-30.3	0	0	112.3	A322 L323 L324 A329 L330	A322-Q326 PolarHBondContact O-N 2.92Å; L323-Q326 WeakPolarHBondContact O-CB 3.3Å; L323-Q326 PolarHBondContact O-N 3.26Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 2.96Å; Q326-A329 PolarHBondContact O-N 3.01Å; Q326-L330 WeakPolarHBondContact O-CG 3.43Å; Q326-L330 PolarHBondContact O-N 3.25Å
327	L	75.7	Confident	70.2	Confident	108 Å²	108	120 Å²	120	57%	0.565	59%	0.588	S	S	*	*	H	α-helix	trans	-64.2	-41.6	174.6	-89.8	161.5	0	0	0	111.9	L323 L324 A329 L330 R331	L323-L327 PolarHBondContact O-N 3.44Å; L324-L327 CarbonylContact O-C 3.56Å; L324-L327 WeakPolarHBondContact O-CB 3.48Å; L324-L327 PolarHBondContact O-N 2.93Å; L324-L327 VanDerWaalsContact O-N 3.15Å; L327-A329 VanDerWaalsContact C-N 3.35Å; L327-L330 CarbonylContact O-C 3.49Å; L327-L330 PolarHBondContact O-N 2.87Å; L327-R331 VanDerWaalsContact O-CB 3.23Å; L327-R331 WeakPolarHBondContact O-CB 3.34Å; L327-R331 PolarHBondContact O-N 3.21Å
328	E	72.9	Confident	68.4	Low	116 Å²	116	125.1 Å²	125.1	54%	0.542	61%	0.607	S	S	.	*	H	α-helix	trans	-62.6	-41.8	175.1	-151.5	93.5	-132.7	0	0	110.8	L324 R325 R331 T332	L324-E328 WeakPolarHBondContact O-CB 3.48Å; L324-E328 PolarHBondContact O-N 3.44Å; R325-E328 PolarHBondContact O-N 3.49Å; E328-R331 PolarHBondContact O-N 2.77Å; E328-T332 WeakPolarHBondContact O-CB 3.48Å; E328-T332 WeakPolarHBondContact O-CG2 3.43Å; E328-T332 PolarHBondContact O-N 2.82Å; E328-T332 PolarHBondContact O-OG1 3.33Å
329	A	70	Confident	66.3	Low	57 Å²	57	129.4 Å²	129.4	47%	0.471	63%	0.628	S	S	.	*	H	α-helix	trans	-63.4	-38.9	173.6	0	0	0	0	0	112.4	R325 Q326 L327 T332 Q333	R325-A329 WeakPolarHBondContact O-CB 3.36Å; R325-A329 PolarHBondContact O-N 2.91Å; Q326-A329 PolarHBondContact O-N 3.01Å; L327-A329 VanDerWaalsContact C-N 3.35Å; A329-T332 WeakPolarHBondContact CA-OG1 3.5Å; A329-T332 PolarHBondContact O-OG1 3.42Å; A329-Q333 PolarHBondContact O-N 3.13Å
330	L	65.8	Low	64	Low	103 Å²	103	133.9 Å²	133.9	54%	0.539	64%	0.641	S	S	.	*	H	α-helix	trans	-71.8	-34.8	174.1	-72	168.9	0	0	0	112.2	Q326 L327 Q333 K334	Q326-L330 WeakPolarHBondContact O-CG 3.43Å; Q326-L330 PolarHBondContact O-N 3.25Å; L327-L330 CarbonylContact O-C 3.49Å; L327-L330 PolarHBondContact O-N 2.87Å; L330-Q333 PolarHBondContact O-N 3.19Å; L330-K334 PolarHBondContact O-N 3.37Å
331	R	61.8	Low	61.7	Low	162 Å²	162	130.3 Å²	130.3	61%	0.611	64%	0.642	S	S	*	*	H	α-helix	trans	-68.9	-40.6	178.5	-162.2	175.4	-168.6	-178	3.1	111.1	L327 E328 Q333 K334 L335	L327-R331 VanDerWaalsContact O-CB 3.23Å; L327-R331 WeakPolarHBondContact O-CB 3.34Å; L327-R331 PolarHBondContact O-N 3.21Å; E328-R331 PolarHBondContact O-N 2.77Å; R331-Q333 PolarHBondContact O-N 3.02Å; R331-K334 PolarHBondContact O-N 3.02Å; R331-L335 HydrophobicContact CG-CD1 3.56Å; R331-L335 PolarHBondContact O-N 3.4Å
332	T	57.8	Low	59.3	Low	104 Å²	104	133.5 Å²	133.5	64%	0.638	66%	0.657	S	S	*	*	H	α-helix	trans	-67.8	-20.3	172.8	47.5	0	0	0	0	113.1	E328 A329	E328-T332 WeakPolarHBondContact O-CB 3.48Å; E328-T332 WeakPolarHBondContact O-CG2 3.43Å; E328-T332 PolarHBondContact O-N 2.82Å; E328-T332 PolarHBondContact O-OG1 3.33Å; A329-T332 WeakPolarHBondContact CA-OG1 3.5Å; A329-T332 PolarHBondContact O-OG1 3.42Å
333	Q	55.9	Low	57.2	Low	160 Å²	160	138.1 Å²	138.1	75%	0.748	67%	0.674	S	S	*	*	H	α-helix	trans	-84.5	-18.4	173.7	-147.4	175.9	21.3	0	0	113.7	A329 L330 R331	A329-Q333 PolarHBondContact O-N 3.13Å; L330-Q333 PolarHBondContact O-N 3.19Å; R331-Q333 PolarHBondContact O-N 3.02Å
334	K	53.1	Low	54.7	Low	190 Å²	190	141.1 Å²	141.1	83%	0.826	69%	0.685	S	S	*	*	H	α-helix	trans	-117.3	-7.3	-177	-88.7	-172.1	177	-179.5	0	116.5	L330 R331	L330-K334 PolarHBondContact O-N 3.37Å; R331-K334 PolarHBondContact O-N 3.02Å
335	L	47.9	Very low	52.6	Low	105 Å²	105	144.8 Å²	144.8	55%	0.55	70%	0.699	S	S	.	*			trans	-116.9	87.7	174.9	-80.7	105.3	0	0	0	111.3	R331	R331-L335 HydrophobicContact CG-CD1 3.56Å; R331-L335 PolarHBondContact O-N 3.4Å
336	R	45.5	Very low	50.4	Low	243 Å²	243	141.8 Å²	141.8	92%	0.917	70%	0.704	S	S	*	*			trans	-98.6	-1.4	161.5	-94.1	-172.8	-171.1	-178.2	3.3	113.6
337	D	43.6	Very low	48.4	Very low	132 Å²	132	139.4 Å²	139.4	71%	0.706	71%	0.705	S	S	*	*	S	Bend	trans	-125.6	125.8	-178.9	-61.7	-48.2	0	0	0	109.6
338	I	44.7	Very low	46.5	Very low	159 Å²	159	142.9 Å²	142.9	82%	0.815	72%	0.716	S	S	*	*			trans	128	109.1	154.6	-60.6	156.7	0	0	0	113.3
339	P	38.5	Very low	44.8	Very low	128 Å²	128	144.6 Å²	144.6	83%	0.831	73%	0.729	S	S	*	*			trans	-75.9	154.9	-177.4	-13.3	28.7	0	0	0	116.1
340	Y	35.3	Very low	43.2	Very low	230 Å²	230	145 Å²	145	90%	0.902	74%	0.739	S	S	*	*			trans	-77.6	138.7	178.4	-144.3	-93.8	0	0	0	113
341	C	37.8	Very low	41.9	Very low	104 Å²	104	148.9 Å²	148.9	70%	0.703	75%	0.754	S	S	*	*			trans	162.1	139.5	155.3	-91.2	0	0	0	0	106.2
342	Q	34	Very low	40.4	Very low	170 Å²	170	148.7 Å²	148.7	79%	0.794	76%	0.764	S	S	*	*			cis	179.8	161.2	36.7	-127.8	166	16.8	0	0	108.6
343	L	36.6	Very low	39.4	Very low	151 Å²	151	152.2 Å²	152.2	79%	0.791	77%	0.773	S	S	*	*			trans	87.1	101.4	164.5	-49.5	168.8	0	0	0	115.5
344	E	31.7	Very low	38.3	Very low	164 Å²	164	148.5 Å²	148.5	77%	0.766	77%	0.765	S	S	*	*			cis	58.3	137	42.5	-73.3	-161.1	160	0	0	117
345	H	36.5	Very low	37.3	Very low	164 Å²	164	146.7 Å²	146.7	76%	0.759	76%	0.764	S	S	*	*			trans	90.4	132.8	168.3	-55.5	89.4	0	0	0	115.6
346	S	33.5	Very low	36.6	Very low	102 Å²	102	153 Å²	153	71%	0.713	78%	0.78	S	S	*	*			cis	-178	117.8	4.8	166.7	0	0	0	0	104.5
347	A	36.7	Very low	35.9	Very low	75 Å²	75	153 Å²	153	62%	0.62	78%	0.78	S	S	*	*				84.6	138.5	92	0	0	0	0	0	116.3
348	K	37.6	Very low	35.3	Very low	182 Å²	182	150 Å²	150	79%	0.791	78%	0.781	S	S	*	*			trans	82.4	144.8	153.4	-53.3	-170.1	-177.6	179.8	0	117.6
349	D	35.7	Very low	34.8	Very low	152 Å²	152	150.8 Å²	150.8	81%	0.813	79%	0.786	S	S	*	*			cis	180	154.8	-11.8	-100.1	-37.5	0	0	0	104.9
350	G	37.1	Very low	34.4	Very low	66 Å²	66	149.8 Å²	149.8	68%	0.68	78%	0.782	S	S	*	*			trans	152.2	84.5	155.1	0	0	0	0	0	118.3
351	Q	37.6	Very low	34.4	Very low	183 Å²	183	144.8 Å²	144.8	86%	0.855	78%	0.776	S	S	*	*			trans	44.7	127.9	132.2	-66	158.6	-8.1	0	0	119.7
352	L	31.2	Very low	34	Very low	158 Å²	158	145.3 Å²	145.3	83%	0.827	78%	0.776	S	S	*	*			cis	69.1	94.1	29.1	-131.7	150.3	0	0	0	116.3
353	H	37	Very low	34	Very low	178 Å²	178	146.5 Å²	146.5	82%	0.824	78%	0.784	S	S	*	*			trans	-144.7	117.3	156.2	-93.7	-83.6	0	0	0	105.7
354	S	33.6	Very low	33.8	Very low	83 Å²	83	148.5 Å²	148.5	58%	0.58	79%	0.789	S	S	*	*			cis	72.9	102.2	49.2	-175.4	0	0	0	0	115.3
355	L	30.8	Very low	33.8	Very low	152 Å²	152	145.8 Å²	145.8	80%	0.796	79%	0.788	S	S	*	*			trans	58.5	122.8	135	-74.3	147.7	0	0	0	121.1
356	R	33.4	Very low	33.6	Very low	238 Å²	238	146.9 Å²	146.9	90%	0.898	79%	0.794	S	S	*	*				177.6	117.5	127.1	-95.5	169.6	-161.1	-143.1	6.8	109.1
357	R	31.2	Very low	33.4	Very low	241 Å²	241	149.9 Å²	149.9	91%	0.909	80%	0.801	S	S	*	*				60.2	107	82.1	-100.3	-162.2	-95.6	-164.1	-4.8	114.3
358	G	30.4	Very low	33.2	Very low	70 Å²	70	152.3 Å²	152.3	72%	0.722	81%	0.812	S	S	*	*			trans	64.1	119.6	133	0	0	0	0	0	118.4
359	D	34.2	Very low	33.1	Very low	175 Å²	175	149 Å²	149	94%	0.936	81%	0.807	S	S	*	*			trans	-149.5	138.4	134.2	-95.1	-30.2	0	0	0	111.3
360	S	29.7	Very low	33.4	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	81%	0.805	S	S	*	*			trans	-108.8	125.2	-176	174.3	0	0	0	0	107.5
361	T	35.6	Very low	33.3	Very low	125 Å²	125	152.4 Å²	152.4	77%	0.767	81%	0.811	S	S	*	*			trans	-159.1	96.7	164.9	25.4	0	0	0	0	106.8
362	T	31	Very low	33	Very low	115 Å²	115	149.6 Å²	149.6	71%	0.706	81%	0.808	S	S	*	*				59.9	101.6	96	57.5	0	0	0	0	114
363	M	33.5	Very low	33.3	Very low	196 Å²	196	149.6 Å²	149.6	97%	0.966	81%	0.806	S	S	*	*			trans	-144.9	103.4	135.5	-94.1	-165	147.8	0	0	107.9
364	E	31.6	Very low	33.1	Very low	193 Å²	193	149.7 Å²	149.7	90%	0.902	81%	0.807	S	S	*	*			trans	-72.7	143.9	166.5	-66.2	171.6	145.6	0	0	109.6
365	S	31.2	Very low	33.1	Very low	106 Å²	106	153.2 Å²	153.2	74%	0.741	82%	0.819	S	S	*	*				178.5	100.9	129.2	-177.9	0	0	0	0	110.3
366	E	32.4	Very low	33	Very low	187 Å²	187	149.6 Å²	149.6	87%	0.874	82%	0.819	S	S	*	*			trans	67.2	93.7	137.9	-57.4	-168	169.1	0	0	120
367	L	29.9	Very low	33.2	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	82%	0.816	S	S	*	*			trans	-86	116.8	158.8	-160.8	81.7	0	0	0	108.2
368	C	32.6	Very low	33	Very low	125 Å²	125	139.5 Å²	139.5	85%	0.845	82%	0.815	S	S	*	*			trans	-111.9	100.9	172.2	-169	0	0	0	0	109.8
369	T	35.1	Very low	33	Very low	112 Å²	112	142.3 Å²	142.3	69%	0.687	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-97.3	126	169.2	4.6	0	0	0	0	109
370	P	41.9	Very low	33	Very low	119 Å²	119	138.9 Å²	138.9	77%	0.773	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.3	123.4	168.9	-6.3	23.8	0	0	0	110.4
371	Q	35.6	Very low	33	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.804	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-70.9	145.9	168.5	-68.1	179.6	-43.2	0	0	111.2
372	P	32.2	Very low	32.7	Very low	123 Å²	123	141.3 Å²	141.3	80%	0.799	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-87.3	122	157.3	31.1	-22.9	0	0	0	109.4
373	M	35.6	Very low	32.7	Very low	158 Å²	158	140.3 Å²	140.3	78%	0.778	82%	0.823	S	S	*	*			trans	-87	111.3	168	-77.9	-173.9	69	0	0	109.8
374	E	33.4	Very low	32.7	Very low	181 Å²	181	142 Å²	142	85%	0.846	82%	0.82	S	S	*	*			trans	-66.5	137.7	154.5	-68.3	-179.9	147.8	0	0	109.6
375	N	33.8	Very low	32.7	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	81%	0.813	S	S	*	*			trans	-143.5	95.5	154.7	-92.9	-26.1	0	0	0	107.7
376	G	29.5	Very low	32.9	Very low	76 Å²	76	137.1 Å²	137.1	78%	0.784	82%	0.816	S	S	*	*			trans	-115.5	128.4	158.3	0	0	0	0	0	108.6
377	A	36.4	Very low	32.8	Very low	103 Å²	103	136.2 Å²	136.2	85%	0.851	82%	0.815	S	S	*	*			trans	-166.2	105.9	152.7	0	0	0	0	0	110
378	N	28.4	Very low	32.8	Very low	164 Å²	164	135.6 Å²	135.6	88%	0.877	81%	0.812	S	S	*	*			trans	-61.9	146.2	157.1	-85	-26.7	0	0	0	110.5
379	C	29.5	Very low	32.5	Very low	129 Å²	129	137.5 Å²	137.5	87%	0.872	81%	0.814	S	S	*	*			trans	-152.7	105.9	147.8	-102.1	0	0	0	0	111.8
380	S	34.7	Very low	32.2	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	82%	0.817	S	S	*	*			trans	4.3	127.6	146.8	53.3	0	0	0	0	122.6
381	E	28.4	Very low	31.5	Very low	199 Å²	199	137.8 Å²	137.8	93%	0.93	82%	0.817	S	S	*	*				28.7	134.2	124	-66.6	-175.7	159.5	0	0	122.5
382	G	30.9	Very low	31	Very low	83 Å²	83	139.6 Å²	139.6	86%	0.856	82%	0.822	S	S	*	*			trans	-175.6	100.9	161.1	0	0	0	0	0	113.2
383	S	30.1	Very low	30.8	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	82%	0.817	S	S	*	*			trans	-64.8	151.5	-178.1	163.4	0	0	0	0	115.9
384	Y	32.8	Very low	30.4	Very low	230 Å²	230	141.5 Å²	141.5	90%	0.902	82%	0.821	S	S	*	*				171.8	115.6	117.6	-89.2	-72.1	0	0	0	110
385	G	32.5	Very low	30.3	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	80%	0.8	S	S	*	*			trans	-93.9	-140.8	-175.3	0	0	0	0	0	115
386	P	34.8	Very low	30	Very low	124 Å²	124	136.5 Å²	136.5	81%	0.805	80%	0.797	S	S	*	*			cis	-131.5	169.2	-34.1	37.1	-21.2	0	0	0	112.8
387	I	29.9	Very low	30	Very low	167 Å²	167	139.2 Å²	139.2	86%	0.856	79%	0.793	S	S	*	*			trans	-166.9	111.8	145	-86.9	140.5	0	0	0	110.7
388	L	31	Very low	29.9	Very low	154 Å²	154	140.3 Å²	140.3	81%	0.806	79%	0.785	S	S	*	*			trans	20.1	136.1	149.6	-65.9	158.9	0	0	0	124.8
389	N	27	Very low	30.2	Very low	164 Å²	164	142 Å²	142	88%	0.877	78%	0.784	S	S	*	*			trans	99.3	114	148.7	-75.6	0.8	0	0	0	120.5
390	G	27.5	Very low	30.7	Very low	73 Å²	73	137.6 Å²	137.6	75%	0.753	75%	0.753	S	S	*	*			trans	119.4	73.9	162.3	0	0	0	0	0	114.7	K392	G390-K392 PolarHBondContact O-N 3.49Å
391	Q	26.6	Very low	30.8	Very low	165 Å²	165	137.7 Å²	137.7	77%	0.771	75%	0.75	S	S	*	*			trans	-59.3	104.2	171.7	-74.2	-174.7	-27.6	0	0	110.7	K393	Q391-K393 VanDerWaalsContact C-N 3.29Å; Q391-K393 PolarHBondContact O-N 3.02Å
392	K	26.5	Very low	31.7	Very low	210 Å²	210	137 Å²	137	91%	0.913	75%	0.752	S	S	*	*			trans	-67.9	87.9	161.9	-73.3	-175.6	176.8	-177.1	0	108.7	G390	G390-K392 PolarHBondContact O-N 3.49Å
393	K	27.9	Very low	32.6	Very low	161 Å²	161	136.2 Å²	136.2	70%	0.7	74%	0.744	S	S	*	*			trans	-78.3	127.4	161.2	-73.6	-175.8	179.5	176.8	0	107.3	Q391 V395	Q391-K393 VanDerWaalsContact C-N 3.29Å; Q391-K393 PolarHBondContact O-N 3.02Å; K393-V395 PolarHBondContact O-N 2.99Å
394	N	26	Very low	34.2	Very low	160 Å²	160	135.6 Å²	135.6	86%	0.856	73%	0.734	S	S	*	*			trans	-52.8	104.9	172.7	-97	-38.5	0	0	0	109.9	Q396	N394-Q396 PolarHBondContact O-N 3.4Å; N394-Q396 VanDerWaalsContact O-N 3.09Å
395	V	32.5	Very low	36.5	Very low	68 Å²	68	130.5 Å²	130.5	41%	0.412	73%	0.726	S	S	.	*			trans	-76.3	93.9	170.1	-177.7	0	0	0	0	107.1	K393 N397	K393-V395 PolarHBondContact O-N 2.99Å; V395-N397 PolarHBondContact O-N 3.39Å
396	Q	28.3	Very low	39.1	Very low	164 Å²	164	128.2 Å²	128.2	77%	0.766	70%	0.698	S	S	*	*			trans	-68.7	109.2	169.4	-70.5	-175.9	1.6	0	0	108.4	N394 L398	N394-Q396 PolarHBondContact O-N 3.4Å; N394-Q396 VanDerWaalsContact O-N 3.09Å; Q396-L398 PolarHBondContact O-N 2.9Å
397	N	28.7	Very low	41.7	Very low	133 Å²	133	127.2 Å²	127.2	71%	0.711	69%	0.686	S	S	*	*			trans	-59.9	96.4	170.8	-80.3	-27.1	0	0	0	110.4	V395	V395-N397 PolarHBondContact O-N 3.39Å
398	L	34.6	Very low	44.6	Very low	127 Å²	127	124.1 Å²	124.1	67%	0.665	66%	0.663	S	S	*	*			trans	-89.5	111.3	158.7	-112.8	75.1	0	0	0	107.8	Q396 T400	Q396-L398 PolarHBondContact O-N 2.9Å; L398-T400 PolarHBondContact O-N 3.31Å
399	K	35.3	Very low	47.5	Very low	200 Å²	200	120.4 Å²	120.4	87%	0.87	64%	0.643	S	S	*	*			trans	-60.6	100.4	164.5	-70.1	-179	176.2	-177.6	0	107.8
400	T	38.4	Very low	50.7	Low	35 Å²	35	112.7 Å²	112.7	22%	0.215	60%	0.602	C	S	.	*			trans	-71.3	121.9	162.7	29.8	0	0	0	0	107.8	L398 V450 L457	L398-T400 PolarHBondContact O-N 3.31Å; T400-V450 PolarHBondContact OG1-O 2.84Å; T400-V450 VanDerWaalsContact OG1-O 3.07Å; T400-L457 HydrophobicContact CG2-CD2 4.38Å
401	T	36.8	Very low	53.9	Low	106 Å²	106	111 Å²	111	65%	0.65	57%	0.574	S	S	*	*			trans	-68.1	142	174.5	42.9	0	0	0	0	109.9	G403	T401-G403 PolarHBondContact O-N 3.03Å
402	D	48.4	Very low	57.1	Low	183 Å²	183	103.1 Å²	103.1	98%	0.979	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	100.4	164.2	-95.9	-29.7	0	0	0	109.1
403	G	48.9	Very low	60.3	Low	67 Å²	67	93.1 Å²	93.1	69%	0.691	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.6	-25.8	-178.9	0	0	0	0	0	116.5	T401	T401-G403 PolarHBondContact O-N 3.03Å
404	D	64.9	Low	63.4	Low	83 Å²	83	85.5 Å²	85.5	44%	0.444	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-80.9	124.7	178.7	-68.8	-31.2	0	0	0	111.4	L457	D404-L457 HydrophobicContact CB-CD1 3.64Å
405	V	80.5	Confident	66.5	Low	122 Å²	122	77.9 Å²	77.9	74%	0.739	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-70.4	122.6	178.8	-178.4	0	0	0	0	108.8
406	P	87.3	Confident	69.3	Low	26 Å²	26	74.7 Å²	74.7	17%	0.169	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-68.8	139.2	178.7	27.9	-33.7	0	0	0	110.9	R408 I409 V450 L457	P406-R408 PolarHBondContact O-N 3.3Å; P406-I409 HydrophobicContact CB-CG1 4.25Å; P406-I409 HydrophobicContact CG-CD1 3.86Å; P406-I409 HydrophobicContact CG-CG1 3.57Å; P406-V450 HydrophobicContact CB-CG1 4.29Å; P406-V450 HydrophobicContact CB-CG2 4.26Å; P406-V450 HydrophobicContact CG-CG2 4.29Å; P406-L457 CarbonylContact C-O 3.58Å; P406-L457 WeakPolarHBondContact CA-O 3.3Å
407	D	88.6	Confident	72.3	Confident	104 Å²	104	68 Å²	68	56%	0.556	37%	0.37	S	S	*	.	S	Bend	trans	-60.2	-32.4	172.1	-62.5	-53	0	0	0	110.8	Q456 L457	D407-Q456 VanDerWaalsContact OD2-CA 3.31Å; D407-Q456 WeakPolarHBondContact OD2-CA 3.4Å; D407-L457 PolarHBondContact N-O 3.44Å; D407-L457 PolarHBondContact OD2-N 3.49Å
408	R	90.2	Very high	75.2	Confident	101 Å²	101	64.2 Å²	64.2	38%	0.381	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	146.8	179.9	-158.2	155.7	-160.7	162	5.2	112.5	P406 F410 I458 G459 N575	P406-R408 PolarHBondContact O-N 3.3Å; R408-F410 HydrophobicContact CB-CZ 4.39Å; R408-F410 HydrophobicContact CG-CE1 4.01Å; R408-F410 HydrophobicContact CG-CE2 4.37Å; R408-F410 HydrophobicContact CG-CZ 3.86Å; R408-I458 HydrophobicContact CB-CD1 4.26Å; R408-G459 PolarHBondContact O-N 3.3Å; R408-N575 PolarHBondContact NE-ND2 3.44Å; R408-N575 VanDerWaalsContact NE-ND2 3.14Å; R408-N575 PolarHBondContact NH1-OD1 3.08Å; R408-N575 PolarHBondContact NH2-ND2 3.18Å; R408-N575 PolarHBondContact NH2-OD1 2.76Å
409	I	92.6	Very high	77.9	Confident	76 Å²	76	60.7 Å²	60.7	39%	0.39	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.6	177.8	-57.9	177.4	0	0	0	109.6	P406 L448 G459 Q461	P406-I409 HydrophobicContact CB-CG1 4.25Å; P406-I409 HydrophobicContact CG-CD1 3.86Å; P406-I409 HydrophobicContact CG-CG1 3.57Å; I409-L448 HydrophobicContact CG2-CD1 4.36Å; I409-G459 CarbonylContact C-O 3.54Å; I409-G459 VanDerWaalsContact CA-O 3.24Å; I409-G459 WeakPolarHBondContact CA-O 3.42Å; I409-Q461 HydrophobicContact CG2-CB 4.41Å; I409-Q461 HydrophobicContact CG2-CG 3.5Å; I409-Q461 VanDerWaalsContact CG2-CG 3.5Å
410	F	94.8	Very high	80.7	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.5	177.3	-62.7	-60.5	0	0	0	111.6	R408 I458 G459 L460 Q461 D483 L571 N575	R408-F410 HydrophobicContact CB-CZ 4.39Å; R408-F410 HydrophobicContact CG-CE1 4.01Å; R408-F410 HydrophobicContact CG-CE2 4.37Å; R408-F410 HydrophobicContact CG-CZ 3.86Å; F410-I458 HydrophobicContact CD2-CG2 3.46Å; F410-I458 VanDerWaalsContact CD2-CG2 3.46Å; F410-I458 HydrophobicContact CE2-CD1 4.11Å; F410-I458 HydrophobicContact CE2-CG2 3.65Å; F410-G459 PolarHBondContact N-O 3.13Å; F410-L460 HydrophobicContact CB-CD2 4.13Å; F410-L460 HydrophobicContact CD2-CD2 4.33Å; F410-Q461 PolarHBondContact O-N 3.47Å; F410-D483 WeakPolarHBondContact CA-OD2 3.21Å; F410-D483 HydrophobicContact CB-CB 4.18Å; F410-D483 HydrophobicContact CD1-CB 4.09Å; F410-L571 HydrophobicContact CB-CD1 3.92Å; F410-L571 HydrophobicContact CB-CD2 4.32Å; F410-L571 HydrophobicContact CD1-CB 4.41Å; F410-L571 HydrophobicContact CD1-CD2 4.2Å; F410-L571 HydrophobicContact CD2-CB 3.7Å; F410-L571 HydrophobicContact CD2-CD1 4.15Å; F410-L571 HydrophobicContact CD2-CG 4.4Å; F410-L571 HydrophobicContact CE1-CB 4.47Å; F410-L571 HydrophobicContact CE2-CB 3.76Å; F410-L571 HydrophobicContact CG-CB 4.04Å; F410-L571 HydrophobicContact CG-CD1 4.11Å; F410-L571 HydrophobicContact CG-CD2 4.15Å; F410-L571 HydrophobicContact CG-CG 4.36Å; F410-L571 HydrophobicContact CZ-CB 4.15Å; F410-N575 HydrophobicContact CE1-CB 4.16Å; F410-N575 WeakPolarHBondContact CE1-ND2 3.32Å; F410-N575 HydrophobicContact CZ-CB 4.08Å
411	K	93.9	Very high	83.3	Confident	38 Å²	38	50.2 Å²	50.2	17%	0.165	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.7	175	179.9	174.6	173.3	-163.2	0	110.1	V413 Y478 R480 D483 A484	K411-V413 HydrophobicContact CG-CG2 4.49Å; K411-Y478 VanDerWaalsContact CE-O 3.24Å; K411-Y478 WeakPolarHBondContact CE-O 3.4Å; K411-Y478 PolarHBondContact NZ-O 3.41Å; K411-R480 PolarHBondContact NZ-O 2.81Å; K411-D483 PolarHBondContact N-OD2 3.43Å; K411-D483 PolarHBondContact O-N 3.28Å; K411-A484 PolarHBondContact O-N 3.01Å; K411-A484 VanDerWaalsContact O-N 3.16Å
412	V	94.8	Very high	86	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.3	177.5	-175	0	0	0	0	109.4	L460 Q461 L462 W463 A484 I486 L567 L571	V412-L460 HydrophobicContact CG2-CD2 4.13Å; V412-Q461 PolarHBondContact N-O 2.94Å; V412-Q461 VanDerWaalsContact O-O 3.07Å; V412-L462 HydrophobicContact CB-CD2 4.18Å; V412-L462 HydrophobicContact CG1-CD2 4.47Å; V412-L462 WeakPolarHBondContact O-CA 3.28Å; V412-W463 PolarHBondContact O-N 3.35Å; V412-A484 WeakPolarHBondContact CA-O 3.4Å; V412-A484 HydrophobicContact CG1-CB 4.34Å; V412-A484 HydrophobicContact CG2-CB 4.28Å; V412-I486 HydrophobicContact CG1-CD1 3.83Å; V412-I486 HydrophobicContact CG1-CG1 3.91Å; V412-L567 HydrophobicContact CG1-CD2 3.89Å; V412-L567 HydrophobicContact CG2-CD2 4.45Å; V412-L571 HydrophobicContact CG2-CD1 4.08Å
413	V	93	Very high	88.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.4	178.7	-173.6	0	0	0	0	109.9	K411 W463 T465 F479 A482 A484 V485 I486	K411-V413 HydrophobicContact CG-CG2 4.49Å; V413-W463 HydrophobicContact CB-CB 4.42Å; V413-W463 HydrophobicContact CG1-CB 4.31Å; V413-W463 HydrophobicContact CG2-CB 4.13Å; V413-W463 HydrophobicContact CG2-CG 4.42Å; V413-T465 HydrophobicContact CG1-CG2 3.68Å; V413-F479 HydrophobicContact CB-CD1 4.13Å; V413-F479 HydrophobicContact CB-CE1 4.33Å; V413-F479 HydrophobicContact CG1-CD1 3.81Å; V413-F479 HydrophobicContact CG1-CE1 3.7Å; V413-A482 HydrophobicContact CG2-CB 3.9Å; V413-A484 PolarHBondContact N-O 2.58Å; V413-V485 HydrophobicContact CB-CG2 4.49Å; V413-V485 CarbonylContact O-C 3.56Å; V413-V485 VanDerWaalsContact O-CA 3.31Å; V413-V485 WeakPolarHBondContact O-CA 3.39Å; V413-I486 PolarHBondContact O-N 2.96Å
414	V	93.5	Very high	90.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.8	176.3	-168.3	0	0	0	0	109.6	K422 L426 W463 T465 I486 M488	V414-K422 HydrophobicContact CG1-CB 3.9Å; V414-K422 HydrophobicContact CG1-CD 3.99Å; V414-K422 HydrophobicContact CG1-CG 3.83Å; V414-L426 HydrophobicContact CB-CD1 4.33Å; V414-L426 HydrophobicContact CG2-CD1 3.81Å; V414-L426 HydrophobicContact CG2-CD2 3.8Å; V414-L426 HydrophobicContact CG2-CG 4.05Å; V414-W463 PolarHBondContact N-O 3.11Å; V414-T465 WeakPolarHBondContact O-CB 3.47Å; V414-T465 WeakPolarHBondContact O-CG2 3.29Å; V414-T465 PolarHBondContact O-N 3.04Å; V414-T465 PolarHBondContact O-OG1 3.44Å; V414-I486 CarbonylContact C-O 3.27Å; V414-I486 WeakPolarHBondContact CA-O 3.39Å; V414-I486 HydrophobicContact CB-CB 4.47Å; V414-I486 HydrophobicContact CG1-CB 4.19Å; V414-I486 HydrophobicContact CG1-CG2 4.17Å; V414-I486 HydrophobicContact CG2-CB 4.19Å; V414-I486 HydrophobicContact CG2-CD1 4.2Å; V414-M488 HydrophobicContact CG1-CE 4.5Å
415	A	91.6	Very high	91.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	161	-179.6	0	0	0	0	0	111.5	F479 I486 L487 M488 W503	A415-F479 HydrophobicContact CB-CE1 3.82Å; A415-F479 HydrophobicContact CB-CZ 3.69Å; A415-I486 PolarHBondContact N-O 2.73Å; A415-L487 HydrophobicContact CB-CD2 4.02Å; A415-L487 WeakPolarHBondContact O-CA 3.48Å; A415-M488 PolarHBondContact O-N 3.01Å; A415-W503 HydrophobicContact CB-CE3 4.13Å; A415-W503 HydrophobicContact CB-CZ3 4.35Å
416	G	91.4	Very high	92.6	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.01	15%	0.149	C	C	.	.			trans	144.8	165.6	-172.7	0	0	0	0	0	111	K422 G467 M488	G416-K422 PolarHBondContact O-NZ 2.87Å; G416-G467 WeakPolarHBondContact O-CA 3.47Å; G416-M488 WeakPolarHBondContact CA-O 3.27Å
417	D	90.8	Very high	92.9	Very high	23 Å²	23	25.7 Å²	25.7	12%	0.123	15%	0.149	C	C	.	.			trans	-60.4	162.3	-175.4	-75.6	4.6	0	0	0	113.2	V420 K422 G467 R472 N499 W503	D417-V420 HydrophobicContact CB-CG1 3.98Å; D417-V420 VanDerWaalsContact O-CG2 3.26Å; D417-V420 WeakPolarHBondContact O-CG2 3.42Å; D417-K422 PolarHBondContact O-NZ 3.21Å; D417-G467 CarbonylContact C-O 3.51Å; D417-R472 IonicContact OD1-NH2 2.81Å; D417-N499 WeakPolarHBondContact OD2-CB 3.46Å; D417-N499 PolarHBondContact OD2-ND2 3.17Å; D417-W503 PolarHBondContact OD1-NE1 3.38Å
418	S	89.8	Confident	93.2	Very high	54 Å²	54	22.4 Å²	22.4	38%	0.378	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	140.9	175.4	-165.6	0	0	0	0	110.7	V420 G467	S418-V420 VanDerWaalsContact C-N 3.31Å; S418-V420 PolarHBondContact O-N 3.38Å; S418-G467 PolarHBondContact N-O 3.01Å
419	G	90.2	Very high	93.5	Very high	53 Å²	53	17.6 Å²	17.6	55%	0.546	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	0	176.3	0	0	0	0	0	116.5	G421 K523	G419-G421 PolarHBondContact O-N 2.84Å; G419-K523 WeakPolarHBondContact O-CE 3.34Å; G419-K523 PolarHBondContact O-NZ 3.47Å
420	V	93.7	Very high	93.5	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	9%	0.094	C	C	.	.	S	Bend	trans	-71	-16	176.2	-55.9	0	0	0	0	113.7	D417 S418 K422 M488 D490 N522	D417-V420 HydrophobicContact CB-CG1 3.98Å; D417-V420 VanDerWaalsContact O-CG2 3.26Å; D417-V420 WeakPolarHBondContact O-CG2 3.42Å; S418-V420 VanDerWaalsContact C-N 3.31Å; S418-V420 PolarHBondContact O-N 3.38Å; V420-K422 HydrophobicContact CG2-CD 4.42Å; V420-K422 HydrophobicContact CG2-CG 3.72Å; V420-M488 HydrophobicContact CB-CG 4.45Å; V420-M488 HydrophobicContact CG2-CB 4.02Å; V420-M488 HydrophobicContact CG2-CG 3.92Å; V420-M488 HydrophobicContact CG2-SD 4.21Å; V420-D490 HydrophobicContact CB-CB 4.25Å; V420-D490 HydrophobicContact CG1-CB 4.17Å; V420-N522 PolarHBondContact O-ND2 3.17Å
421	G	93.8	Very high	93.4	Very high	14 Å²	14	18.4 Å²	18.4	14%	0.144	12%	0.116	C	C	.	.			trans	100.8	26.2	175.1	0	0	0	0	0	115.9	G419 S424 F425 M488	G419-G421 PolarHBondContact O-N 2.84Å; G421-S424 PolarHBondContact O-N 3.19Å; G421-F425 WeakPolarHBondContact O-CB 3.4Å; G421-F425 PolarHBondContact O-N 3.41Å; G421-M488 VanDerWaalsContact C-SD 3.6Å
422	K	94.2	Very high	93.4	Very high	9 Å²	9	22 Å²	22	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-53.5	-55.3	178.2	-61.5	-175.4	-62.8	-69.7	0	112.6	V414 G416 D417 V420 S424 F425 L426 D464 T465 G467 M488	V414-K422 HydrophobicContact CG1-CB 3.9Å; V414-K422 HydrophobicContact CG1-CD 3.99Å; V414-K422 HydrophobicContact CG1-CG 3.83Å; G416-K422 PolarHBondContact O-NZ 2.87Å; D417-K422 PolarHBondContact O-NZ 3.21Å; V420-K422 HydrophobicContact CG2-CD 4.42Å; V420-K422 HydrophobicContact CG2-CG 3.72Å; K422-S424 PolarHBondContact O-N 2.93Å; K422-F425 WeakPolarHBondContact O-CB 3.4Å; K422-F425 PolarHBondContact O-N 3.45Å; K422-L426 PolarHBondContact O-N 3.24Å; K422-D464 WeakPolarHBondContact CB-OD1 3.42Å; K422-T465 WeakPolarHBondContact CE-O 3.33Å; K422-G467 VanDerWaalsContact NZ-CA 3.32Å; K422-M488 HydrophobicContact CB-SD 4.48Å; K422-M488 HydrophobicContact CG-CB 4.16Å; K422-M488 HydrophobicContact CG-SD 4.1Å
423	T	93.7	Very high	93.2	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.08	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-44.2	179.9	-38.7	0	0	0	0	111.7	F425 L426 D427 H438 T441 D464	T423-F425 VanDerWaalsContact C-N 3.29Å; T423-F425 PolarHBondContact O-N 2.88Å; T423-L426 PolarHBondContact O-N 3.3Å; T423-D427 WeakPolarHBondContact O-CB 3.13Å; T423-D427 PolarHBondContact O-N 2.93Å; T423-H438 WeakPolarHBondContact CG2-NE2 3.35Å; T423-T441 PolarHBondContact OG1-OG1 2.83Å; T423-D464 WeakPolarHBondContact CA-OD2 3.42Å; T423-D464 WeakPolarHBondContact CB-OD2 3.3Å; T423-D464 WeakPolarHBondContact CG2-OD2 3.3Å; T423-D464 PolarHBondContact OG1-OD2 3.09Å
424	S	95.2	Very high	93.2	Very high	18 Å²	18	33.7 Å²	33.7	13%	0.126	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-36.6	176.4	-49.5	0	0	0	0	112.6	G421 K422 R428	G421-S424 PolarHBondContact O-N 3.19Å; K422-S424 PolarHBondContact O-N 2.93Å; S424-R428 WeakPolarHBondContact O-CB 3.45Å; S424-R428 PolarHBondContact O-N 2.78Å
425	F	96.4	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-43.6	176.4	-177.8	-84.3	0	0	0	111.2	G421 K422 T423 R428 F429 M488 I520 A552 A554 V560 A563 M564	G421-F425 WeakPolarHBondContact O-CB 3.4Å; G421-F425 PolarHBondContact O-N 3.41Å; K422-F425 WeakPolarHBondContact O-CB 3.4Å; K422-F425 PolarHBondContact O-N 3.45Å; T423-F425 VanDerWaalsContact C-N 3.29Å; T423-F425 PolarHBondContact O-N 2.88Å; F425-R428 PolarHBondContact O-N 2.92Å; F425-F429 WeakPolarHBondContact O-CB 3.48Å; F425-F429 PolarHBondContact O-N 3.27Å; F425-M488 HydrophobicContact CB-CE 3.48Å; F425-M488 VanDerWaalsContact CB-CE 3.48Å; F425-M488 HydrophobicContact CB-SD 4.24Å; F425-M488 HydrophobicContact CD1-CE 3.8Å; F425-M488 HydrophobicContact CD2-CE 3.72Å; F425-M488 HydrophobicContact CE1-CE 4.47Å; F425-M488 HydrophobicContact CE2-CE 4.39Å; F425-M488 HydrophobicContact CG-CE 3.38Å; F425-I520 HydrophobicContact CE1-CD1 3.98Å; F425-I520 HydrophobicContact CE2-CD1 4.02Å; F425-I520 HydrophobicContact CE2-CG2 4.1Å; F425-I520 HydrophobicContact CZ-CD1 3.51Å; F425-A552 HydrophobicContact CD2-CB 4.48Å; F425-A552 HydrophobicContact CE2-CB 3.88Å; F425-A554 HydrophobicContact CB-CB 4.2Å; F425-V560 HydrophobicContact CD1-CG1 4.42Å; F425-V560 HydrophobicContact CD2-CG1 4.16Å; F425-V560 HydrophobicContact CD2-CG2 3.88Å; F425-V560 HydrophobicContact CE1-CG1 4.13Å; F425-V560 HydrophobicContact CE2-CB 4.03Å; F425-V560 HydrophobicContact CE2-CG1 3.86Å; F425-V560 HydrophobicContact CE2-CG2 3.7Å; F425-V560 HydrophobicContact CG-CG1 4.43Å; F425-V560 HydrophobicContact CZ-CB 4.3Å; F425-V560 HydrophobicContact CZ-CG1 3.83Å; F425-V560 HydrophobicContact CZ-CG2 4.46Å; F425-A563 HydrophobicContact CZ-CB 4.45Å; F425-M564 HydrophobicContact CE1-CG 3.99Å; F425-M564 HydrophobicContact CE1-SD 3.84Å; F425-M564 HydrophobicContact CZ-CG 4.32Å; F425-M564 HydrophobicContact CZ-SD 4.47Å
426	L	95.2	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-45.5	176.6	-72	177.2	0	0	0	111.7	V414 K422 T423 R428 F429 T430 L462 D464	V414-L426 HydrophobicContact CB-CD1 4.33Å; V414-L426 HydrophobicContact CG2-CD1 3.81Å; V414-L426 HydrophobicContact CG2-CD2 3.8Å; V414-L426 HydrophobicContact CG2-CG 4.05Å; K422-L426 PolarHBondContact O-N 3.24Å; T423-L426 PolarHBondContact O-N 3.3Å; L426-R428 VanDerWaalsContact C-N 3.33Å; L426-R428 PolarHBondContact O-N 2.91Å; L426-F429 WeakPolarHBondContact O-CB 3.4Å; L426-F429 PolarHBondContact O-N 3.48Å; L426-F429 VanDerWaalsContact O-N 3.09Å; L426-T430 WeakPolarHBondContact O-CG2 3.29Å; L426-T430 PolarHBondContact O-N 2.79Å; L426-T430 PolarHBondContact O-OG1 3.36Å; L426-L462 HydrophobicContact CD2-CB 3.93Å; L426-L462 HydrophobicContact CD2-CD1 4Å; L426-L462 HydrophobicContact CD2-CD2 4.14Å; L426-L462 HydrophobicContact CD2-CG 4.24Å; L426-D464 HydrophobicContact CD1-CB 3.51Å
427	D	93.6	Very high	92.3	Very high	31 Å²	31	46.8 Å²	46.8	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-37.5	177	-167	35	0	0	0	112	T423 F429 N431 D432	T423-D427 WeakPolarHBondContact O-CB 3.13Å; T423-D427 PolarHBondContact O-N 2.93Å; D427-F429 VanDerWaalsContact C-N 3.33Å; D427-F429 PolarHBondContact O-N 3.46Å; D427-N431 WeakPolarHBondContact O-CA 3.43Å; D427-N431 WeakPolarHBondContact O-CB 2.85Å; D427-N431 PolarHBondContact O-N 3.29Å; D427-N431 WeakPolarHBondContact OD1-CB 3.42Å; D427-N431 PolarHBondContact OD1-ND2 3.18Å; D427-D432 PolarHBondContact O-N 3.42Å
428	R	95.8	Very high	91.7	Very high	35 Å²	35	49.8 Å²	49.8	13%	0.132	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-41.4	170.5	175.2	58.2	70.7	-167.3	3	111.5	S424 F425 L426 D432 R433 F434 A554 K555 V560	S424-R428 WeakPolarHBondContact O-CB 3.45Å; S424-R428 PolarHBondContact O-N 2.78Å; F425-R428 PolarHBondContact O-N 2.92Å; L426-R428 VanDerWaalsContact C-N 3.33Å; L426-R428 PolarHBondContact O-N 2.91Å; R428-D432 WeakPolarHBondContact CD-OD1 3.38Å; R428-D432 IonicContact CZ-OD1 3.89Å; R428-D432 PolarHBondContact NH1-O 2.7Å; R428-D432 IonicContact NH1-OD1 2.85Å; R428-D432 PolarHBondContact NH1-OD1 2.93Å; R428-D432 VanDerWaalsContact O-CA 3.25Å; R428-D432 WeakPolarHBondContact O-CA 3.18Å; R428-D432 PolarHBondContact O-N 3.21Å; R428-R433 VanDerWaalsContact CA-O 3.26Å; R428-R433 WeakPolarHBondContact CA-O 2.8Å; R428-R433 PolarHBondContact N-O 3.37Å; R428-F434 VanDerWaalsContact NH2-CB 3.27Å; R428-A554 PolarHBondContact NE-O 2.88Å; R428-K555 PolarHBondContact NH2-O 2.89Å; R428-V560 HydrophobicContact CB-CG1 4.41Å; R428-V560 HydrophobicContact CG-CB 4.19Å; R428-V560 HydrophobicContact CG-CG1 3.98Å; R428-V560 HydrophobicContact CG-CG2 3.96Å
429	F	96.3	Very high	91	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69.3	-43.2	179.2	172.6	-115.7	0	0	0	112.7	F425 L426 D427 R449 L451 L460 L462 V560 Q561 M564	F425-F429 WeakPolarHBondContact O-CB 3.48Å; F425-F429 PolarHBondContact O-N 3.27Å; L426-F429 WeakPolarHBondContact O-CB 3.4Å; L426-F429 PolarHBondContact O-N 3.48Å; L426-F429 VanDerWaalsContact O-N 3.09Å; D427-F429 VanDerWaalsContact C-N 3.33Å; D427-F429 PolarHBondContact O-N 3.46Å; F429-R449 HydrophobicContact CD1-CG 4.39Å; F429-R449 HydrophobicContact CE1-CB 3.76Å; F429-R449 HydrophobicContact CE1-CG 3.64Å; F429-R449 HydrophobicContact CZ-CB 4.31Å; F429-R449 HydrophobicContact CZ-CG 3.78Å; F429-L451 HydrophobicContact CE2-CD1 4.09Å; F429-L451 HydrophobicContact CE2-CD2 3.98Å; F429-L451 HydrophobicContact CE2-CG 4.46Å; F429-L451 HydrophobicContact CZ-CD1 3.66Å; F429-L451 HydrophobicContact CZ-CD2 3.83Å; F429-L451 HydrophobicContact CZ-CG 3.93Å; F429-L460 HydrophobicContact CE1-CD1 4.36Å; F429-L460 HydrophobicContact CZ-CD1 4.28Å; F429-L462 HydrophobicContact CD1-CD1 3.65Å; F429-L462 HydrophobicContact CE1-CD1 3.74Å; F429-L462 HydrophobicContact CE1-CD2 4.47Å; F429-V560 HydrophobicContact CB-CG1 3.84Å; F429-Q561 PolarHBondContact O-NE2 3.43Å; F429-Q561 VanDerWaalsContact O-NE2 3.11Å; F429-M564 HydrophobicContact CB-CG 4.41Å; F429-M564 HydrophobicContact CD1-CE 4.03Å; F429-M564 HydrophobicContact CD1-CG 4.13Å; F429-M564 HydrophobicContact CD2-CB 3.63Å; F429-M564 HydrophobicContact CD2-CG 3.58Å; F429-M564 HydrophobicContact CE1-CB 4.34Å; F429-M564 HydrophobicContact CE1-CE 3.81Å; F429-M564 HydrophobicContact CE1-CG 4.31Å; F429-M564 HydrophobicContact CE2-CB 3.35Å; F429-M564 HydrophobicContact CE2-CG 3.81Å; F429-M564 HydrophobicContact CG-CB 4.27Å; F429-M564 HydrophobicContact CG-CG 3.77Å; F429-M564 HydrophobicContact CZ-CB 3.75Å; F429-M564 HydrophobicContact CZ-CE 4.22Å; F429-M564 HydrophobicContact CZ-CG 4.18Å
430	T	93	Very high	90.6	Very high	8 Å²	8	56.1 Å²	56.1	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-83.6	-45.9	-173.7	56.3	0	0	0	0	112.7	L426 H447 R449 L462	L426-T430 WeakPolarHBondContact O-CG2 3.29Å; L426-T430 PolarHBondContact O-N 2.79Å; L426-T430 PolarHBondContact O-OG1 3.36Å; T430-H447 HydrophobicContact CG2-CB 3.96Å; T430-R449 HydrophobicContact CG2-CB 4.29Å; T430-R449 PolarHBondContact O-NH1 3.21Å; T430-R449 PolarHBondContact O-NH2 3.05Å; T430-L462 HydrophobicContact CG2-CD1 3.61Å
431	N	91.6	Very high	89.7	Confident	88 Å²	88	57.3 Å²	57.3	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-112.7	-5.2	-169.5	-63.2	-40.8	0	0	0	113.7	D427 R433	D427-N431 WeakPolarHBondContact O-CA 3.43Å; D427-N431 WeakPolarHBondContact O-CB 2.85Å; D427-N431 PolarHBondContact O-N 3.29Å; D427-N431 WeakPolarHBondContact OD1-CB 3.42Å; D427-N431 PolarHBondContact OD1-ND2 3.18Å; N431-R433 HydrophobicContact CB-CB 4.33Å; N431-R433 HydrophobicContact CB-CG 4.21Å; N431-R433 PolarHBondContact O-N 3.03Å
432	D	93.1	Very high	88.7	Confident	113 Å²	113	64.3 Å²	64.3	60%	0.604	33%	0.333	S	S	*	.	S	Bend	trans	52.8	42.8	-171.6	-164.5	24.5	0	0	0	112.4	D427 R428	D427-D432 PolarHBondContact O-N 3.42Å; R428-D432 WeakPolarHBondContact CD-OD1 3.38Å; R428-D432 IonicContact CZ-OD1 3.89Å; R428-D432 PolarHBondContact NH1-O 2.7Å; R428-D432 IonicContact NH1-OD1 2.85Å; R428-D432 PolarHBondContact NH1-OD1 2.93Å; R428-D432 VanDerWaalsContact O-CA 3.25Å; R428-D432 WeakPolarHBondContact O-CA 3.18Å; R428-D432 PolarHBondContact O-N 3.21Å
433	R	92.5	Very high	87.7	Confident	175 Å²	175	65.8 Å²	65.8	66%	0.66	35%	0.351	S	S	*	.			trans	-123.7	157.7	-179.5	-71	178.9	-174.9	-141.4	1.4	111.6	R428 N431	R428-R433 VanDerWaalsContact CA-O 3.26Å; R428-R433 WeakPolarHBondContact CA-O 2.8Å; R428-R433 PolarHBondContact N-O 3.37Å; N431-R433 HydrophobicContact CB-CB 4.33Å; N431-R433 HydrophobicContact CB-CG 4.21Å; N431-R433 PolarHBondContact O-N 3.03Å
434	F	92	Very high	87	Confident	70 Å²	70	67.4 Å²	67.4	31%	0.307	36%	0.359	S	S	.	.			trans	-143.3	120.9	171.3	176.4	-94.7	0	0	0	108.8	R428 P436 A554 K555	R428-F434 VanDerWaalsContact NH2-CB 3.27Å; F434-P436 HydrophobicContact CE1-CB 4.06Å; F434-A554 HydrophobicContact CD2-CB 4.39Å; F434-A554 HydrophobicContact CE2-CB 4.48Å; F434-K555 HydrophobicContact CD1-CB 4.45Å; F434-K555 HydrophobicContact CD1-CG 4.06Å; F434-K555 HydrophobicContact CD2-CB 4.23Å; F434-K555 HydrophobicContact CE1-CB 4.2Å; F434-K555 HydrophobicContact CE1-CG 3.8Å; F434-K555 HydrophobicContact CE2-CB 3.95Å; F434-K555 HydrophobicContact CE2-CG 4.46Å; F434-K555 HydrophobicContact CG-CB 4.46Å; F434-K555 HydrophobicContact CZ-CB 3.94Å; F434-K555 HydrophobicContact CZ-CG 4.01Å
435	D	89.4	Confident	86.5	Confident	63 Å²	63	70.1 Å²	70.1	34%	0.337	37%	0.372	S	S	.	.			trans	-104.3	114	174.6	-177.5	0.8	0	0	0	110.2	T437	D435-T437 PolarHBondContact O-N 3.03Å; D435-T437 WeakPolarHBondContact OD1-CA 3.4Å; D435-T437 WeakPolarHBondContact OD1-CB 3.23Å; D435-T437 PolarHBondContact OD1-N 3.09Å; D435-T437 PolarHBondContact OD1-OG1 3.28Å; D435-T437 PolarHBondContact OD2-OG1 3.11Å
436	P	85.4	Confident	86	Confident	107 Å²	107	74.3 Å²	74.3	70%	0.695	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.7	177.2	29.9	-34.8	0	0	0	113.5	F434	F434-P436 HydrophobicContact CE1-CB 4.06Å
437	T	83.1	Confident	85.7	Confident	106 Å²	106	76.3 Å²	76.3	65%	0.65	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	9.2	-177.4	65.6	0	0	0	0	113.6	D435 Q439	D435-T437 PolarHBondContact O-N 3.03Å; D435-T437 WeakPolarHBondContact OD1-CA 3.4Å; D435-T437 WeakPolarHBondContact OD1-CB 3.23Å; D435-T437 PolarHBondContact OD1-N 3.09Å; D435-T437 PolarHBondContact OD1-OG1 3.28Å; D435-T437 PolarHBondContact OD2-OG1 3.11Å; T437-Q439 PolarHBondContact O-N 3.37Å
438	H	77	Confident	85.6	Confident	86 Å²	86	78.9 Å²	78.9	40%	0.398	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-57.1	125.8	-174.3	-148.1	81.3	0	0	0	112.2	T423	T423-H438 WeakPolarHBondContact CG2-NE2 3.35Å
439	Q	76.4	Confident	85.4	Confident	168 Å²	168	81 Å²	81	79%	0.785	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-83.7	168.7	177.4	-64.5	-172.1	-7.4	0	0	110.9	T437 T441	T437-Q439 PolarHBondContact O-N 3.37Å; Q439-T441 PolarHBondContact O-N 3.28Å
440	S	80.8	Confident	85.3	Confident	72 Å²	72	82.3 Å²	82.3	50%	0.503	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-62.9	127.9	176.1	-68	0	0	0	0	110.9	I442	S440-I442 PolarHBondContact O-N 3.4Å
441	T	75.5	Confident	85.2	Confident	28 Å²	28	82.9 Å²	82.9	17%	0.172	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-56.1	123.5	175.1	-37.1	0	0	0	0	110.2	T423 Q439 A466	T423-T441 PolarHBondContact OG1-OG1 2.83Å; Q439-T441 PolarHBondContact O-N 3.28Å; T441-A466 VanDerWaalsContact O-CB 3.26Å; T441-A466 WeakPolarHBondContact O-CB 3.46Å
442	I	72.9	Confident	85.2	Confident	160 Å²	160	84.2 Å²	84.2	82%	0.821	43%	0.433	S	S	*	.			trans	-96.9	115.5	174.4	-58.2	176.1	0	0	0	107.3	S440	S440-I442 PolarHBondContact O-N 3.4Å
443	G	72.8	Confident	85.1	Confident	41 Å²	41	78.8 Å²	78.8	42%	0.423	40%	0.404	S	S	.	.	S	Bend	trans	78.1	-132.4	-177.3	0	0	0	0	0	112.5	A466	G443-A466 VanDerWaalsContact O-CB 3.27Å; G443-A466 WeakPolarHBondContact O-CB 3.45Å; G443-A466 PolarHBondContact O-N 3.02Å
444	I	79.1	Confident	84.9	Confident	47 Å²	47	75.6 Å²	75.6	24%	0.241	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.2	-175.1	-76.1	161.5	0	0	0	109.2	W463 D464 T465 Y478	I444-W463 HydrophobicContact CG2-CE3 3.73Å; I444-W463 HydrophobicContact CG2-CZ3 4.35Å; I444-D464 CarbonylContact C-O 3.48Å; I444-D464 WeakPolarHBondContact CA-O 3.3Å; I444-D464 WeakPolarHBondContact CG2-O 3.4Å; I444-T465 HydrophobicContact CD1-CG2 4.44Å; I444-T465 HydrophobicContact CG1-CG2 4.17Å; I444-Y478 HydrophobicContact CD1-CD1 3.69Å; I444-Y478 HydrophobicContact CD1-CD2 3.19Å; I444-Y478 HydrophobicContact CD1-CE1 3.52Å; I444-Y478 HydrophobicContact CD1-CE2 3.03Å; I444-Y478 HydrophobicContact CD1-CG 3.52Å; I444-Y478 HydrophobicContact CG2-CD1 4.49Å; I444-Y478 HydrophobicContact CG2-CE1 4.26Å
445	D	84.4	Confident	84.7	Confident	75 Å²	75	79.5 Å²	79.5	40%	0.401	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	157.5	175.3	-154.4	-5	0	0	0	110.7	H447 D464	D445-H447 IonicContact OD2-NE2 3.01Å; D445-D464 HydrophobicContact CB-CB 4.01Å; D445-D464 PolarHBondContact N-O 3.48Å; D445-D464 PolarHBondContact O-N 3.27Å
446	F	86.6	Confident	84.7	Confident	88 Å²	88	80.1 Å²	80.1	39%	0.386	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.9	-173.6	173.6	-94.7	0	0	0	111.4	L448 Q461 L462 W463	F446-L448 HydrophobicContact CE1-CB 4.36Å; F446-L448 HydrophobicContact CZ-CB 4.34Å; F446-Q461 HydrophobicContact CE2-CB 3.8Å; F446-Q461 HydrophobicContact CE2-CG 3.72Å; F446-Q461 HydrophobicContact CZ-CB 4.39Å; F446-Q461 HydrophobicContact CZ-CG 3.87Å; F446-L462 WeakPolarHBondContact CA-O 3.22Å; F446-W463 HydrophobicContact CD2-CD2 4.15Å; F446-W463 AromaticContact CD2-CE2 3.85Å; F446-W463 HydrophobicContact CD2-CE3 4.47Å; F446-W463 HydrophobicContact CD2-CH2 4.31Å; F446-W463 AromaticContact CD2-CZ2 3.95Å; F446-W463 HydrophobicContact CD2-CZ2 3.95Å; F446-W463 HydrophobicContact CE2-CZ2 4.11Å
447	H	88.5	Confident	85	Confident	42 Å²	42	76.7 Å²	76.7	19%	0.194	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145	170	-55.5	-70.7	0	0	0	110.8	T430 D445 L462	T430-H447 HydrophobicContact CG2-CB 3.96Å; D445-H447 IonicContact OD2-NE2 3.01Å; H447-L462 HydrophobicContact CB-CB 4.25Å; H447-L462 HydrophobicContact CB-CD1 4.25Å; H447-L462 PolarHBondContact N-O 3.38Å; H447-L462 PolarHBondContact O-N 2.96Å
448	L	91.2	Very high	85.5	Confident	85 Å²	85	71.7 Å²	71.7	45%	0.445	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.8	168	179	66.1	0	0	0	108.4	I409 F446 L460 Q461	I409-L448 HydrophobicContact CG2-CD1 4.36Å; F446-L448 HydrophobicContact CE1-CB 4.36Å; F446-L448 HydrophobicContact CZ-CB 4.34Å; L448-L460 WeakPolarHBondContact CA-O 3.37Å; L448-Q461 HydrophobicContact CD1-CG 3.91Å
449	R	92.7	Very high	86.3	Confident	79 Å²	79	67.6 Å²	67.6	30%	0.298	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.8	175	-171.4	60.3	170.8	-167.8	-7	110.7	F429 T430 L451 L460 L462	F429-R449 HydrophobicContact CD1-CG 4.39Å; F429-R449 HydrophobicContact CE1-CB 3.76Å; F429-R449 HydrophobicContact CE1-CG 3.64Å; F429-R449 HydrophobicContact CZ-CB 4.31Å; F429-R449 HydrophobicContact CZ-CG 3.78Å; T430-R449 HydrophobicContact CG2-CB 4.29Å; T430-R449 PolarHBondContact O-NH1 3.21Å; T430-R449 PolarHBondContact O-NH2 3.05Å; R449-L451 HydrophobicContact CG-CD2 4.37Å; R449-L460 PolarHBondContact N-O 2.99Å; R449-L460 PolarHBondContact O-N 2.99Å; R449-L462 HydrophobicContact CB-CD1 4.2Å
450	V	92.4	Very high	87.2	Confident	27 Å²	27	59.6 Å²	59.6	16%	0.164	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.3	175.5	-176.7	0	0	0	0	109.5	T400 P406 L457 I458	T400-V450 PolarHBondContact OG1-O 2.84Å; T400-V450 VanDerWaalsContact OG1-O 3.07Å; P406-V450 HydrophobicContact CB-CG1 4.29Å; P406-V450 HydrophobicContact CB-CG2 4.26Å; P406-V450 HydrophobicContact CG-CG2 4.29Å; V450-L457 HydrophobicContact CG1-CB 4.06Å; V450-L457 HydrophobicContact CG1-CD2 4.3Å; V450-I458 WeakPolarHBondContact CA-O 3.11Å
451	L	92.2	Very high	87.9	Confident	21 Å²	21	58.9 Å²	58.9	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.3	175.4	-64.4	177.2	0	0	0	109.9	F429 R449 V453 I458 L460 A568	F429-L451 HydrophobicContact CE2-CD1 4.09Å; F429-L451 HydrophobicContact CE2-CD2 3.98Å; F429-L451 HydrophobicContact CE2-CG 4.46Å; F429-L451 HydrophobicContact CZ-CD1 3.66Å; F429-L451 HydrophobicContact CZ-CD2 3.83Å; F429-L451 HydrophobicContact CZ-CG 3.93Å; R449-L451 HydrophobicContact CG-CD2 4.37Å; L451-V453 HydrophobicContact CB-CG2 4.16Å; L451-V453 PolarHBondContact O-N 2.8Å; L451-I458 PolarHBondContact N-O 3.34Å; L451-I458 PolarHBondContact O-N 3.19Å; L451-L460 HydrophobicContact CD1-CD1 4.04Å; L451-A568 HydrophobicContact CD1-CB 4.18Å
452	K	92.1	Very high	88.8	Confident	115 Å²	115	57.5 Å²	57.5	50%	0.5	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.5	164.9	-172.8	175.9	179.9	178.4	0	109.1	E454 Q456 L457	K452-E454 VanDerWaalsContact CE-O 3.24Å; K452-E454 WeakPolarHBondContact CE-O 3.39Å; K452-E454 WeakPolarHBondContact CG-O 3.42Å; K452-Q456 WeakPolarHBondContact CA-O 3.5Å; K452-L457 HydrophobicContact CB-CD2 4Å; K452-L457 HydrophobicContact CG-CD2 4.3Å
453	V	90.9	Very high	89.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	106.5	178.3	-176	0	0	0	0	108	L451 D455 Q456 I458 Y565 A568 L569 K572	L451-V453 HydrophobicContact CB-CG2 4.16Å; L451-V453 PolarHBondContact O-N 2.8Å; V453-D455 PolarHBondContact O-N 2.91Å; V453-Q456 PolarHBondContact N-O 2.86Å; V453-Q456 PolarHBondContact O-N 3.14Å; V453-Q456 VanDerWaalsContact O-N 3.16Å; V453-I458 HydrophobicContact CB-CG1 4.1Å; V453-I458 HydrophobicContact CG2-CB 4.27Å; V453-I458 HydrophobicContact CG2-CG1 4.09Å; V453-Y565 HydrophobicContact CB-CE2 4.45Å; V453-Y565 HydrophobicContact CG1-CE2 4.34Å; V453-Y565 HydrophobicContact CG2-CD2 4.42Å; V453-Y565 HydrophobicContact CG2-CE2 4.19Å; V453-A568 HydrophobicContact CG2-CB 3.79Å; V453-L569 HydrophobicContact CG1-CB 4.19Å; V453-L569 HydrophobicContact CG1-CD1 3.8Å; V453-K572 HydrophobicContact CG1-CD 4.46Å
454	E	88.4	Confident	90.5	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-118.9	-166.9	-51	179.4	148.9	0	0	110.6	K452 L569 K572	K452-E454 VanDerWaalsContact CE-O 3.24Å; K452-E454 WeakPolarHBondContact CE-O 3.39Å; K452-E454 WeakPolarHBondContact CG-O 3.42Å; E454-L569 HydrophobicContact CG-CD1 4.43Å; E454-K572 IonicContact OE2-NZ 2.84Å; E454-K572 PolarHBondContact OE2-NZ 3.46Å
455	D	86.9	Confident	90.9	Very high	153 Å²	153	48.6 Å²	48.6	82%	0.818	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	9	-178.9	-63.2	-36.7	0	0	0	113.9	V453	V453-D455 PolarHBondContact O-N 2.91Å
456	Q	89	Confident	90.6	Very high	76 Å²	76	45.2 Å²	45.2	36%	0.355	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.5	-178.9	-72.4	-175.5	-26.6	0	0	112.7	D407 K452 V453 I458	D407-Q456 VanDerWaalsContact OD2-CA 3.31Å; D407-Q456 WeakPolarHBondContact OD2-CA 3.4Å; K452-Q456 WeakPolarHBondContact CA-O 3.5Å; V453-Q456 PolarHBondContact N-O 2.86Å; V453-Q456 PolarHBondContact O-N 3.14Å; V453-Q456 VanDerWaalsContact O-N 3.16Å; Q456-I458 HydrophobicContact CB-CD1 4.27Å
457	L	91.9	Very high	89.5	Confident	34 Å²	34	41.2 Å²	41.2	18%	0.178	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.8	171.4	-66.5	177	0	0	0	109.7	T400 D404 P406 D407 V450 K452	T400-L457 HydrophobicContact CG2-CD2 4.38Å; D404-L457 HydrophobicContact CB-CD1 3.64Å; P406-L457 CarbonylContact C-O 3.58Å; P406-L457 WeakPolarHBondContact CA-O 3.3Å; D407-L457 PolarHBondContact N-O 3.44Å; D407-L457 PolarHBondContact OD2-N 3.49Å; V450-L457 HydrophobicContact CG1-CB 4.06Å; V450-L457 HydrophobicContact CG1-CD2 4.3Å; K452-L457 HydrophobicContact CB-CD2 4Å; K452-L457 HydrophobicContact CG-CD2 4.3Å
458	I	94	Very high	88.4	Confident	2 Å²	2	41 Å²	41	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.6	-179.4	-58.4	-56.4	0	0	0	109.5	R408 F410 V450 L451 V453 Q456 L460 A568	R408-I458 HydrophobicContact CB-CD1 4.26Å; F410-I458 HydrophobicContact CD2-CG2 3.46Å; F410-I458 VanDerWaalsContact CD2-CG2 3.46Å; F410-I458 HydrophobicContact CE2-CD1 4.11Å; F410-I458 HydrophobicContact CE2-CG2 3.65Å; V450-I458 WeakPolarHBondContact CA-O 3.11Å; L451-I458 PolarHBondContact N-O 3.34Å; L451-I458 PolarHBondContact O-N 3.19Å; V453-I458 HydrophobicContact CB-CG1 4.1Å; V453-I458 HydrophobicContact CG2-CB 4.27Å; V453-I458 HydrophobicContact CG2-CG1 4.09Å; Q456-I458 HydrophobicContact CB-CD1 4.27Å; I458-L460 HydrophobicContact CG2-CD2 3.99Å; I458-A568 HydrophobicContact CG2-CB 4.45Å
459	G	93.8	Very high	86.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.3	170.3	0	0	0	0	0	111	R408 I409 F410	R408-G459 PolarHBondContact O-N 3.3Å; I409-G459 CarbonylContact C-O 3.54Å; I409-G459 VanDerWaalsContact CA-O 3.24Å; I409-G459 WeakPolarHBondContact CA-O 3.42Å; F410-G459 PolarHBondContact N-O 3.13Å
460	L	95.9	Very high	85.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.2	170.7	-58.5	-177	0	0	0	109.2	F410 V412 F429 L448 R449 L451 I458 L462 M564 A568 L571	F410-L460 HydrophobicContact CB-CD2 4.13Å; F410-L460 HydrophobicContact CD2-CD2 4.33Å; V412-L460 HydrophobicContact CG2-CD2 4.13Å; F429-L460 HydrophobicContact CE1-CD1 4.36Å; F429-L460 HydrophobicContact CZ-CD1 4.28Å; L448-L460 WeakPolarHBondContact CA-O 3.37Å; R449-L460 PolarHBondContact N-O 2.99Å; R449-L460 PolarHBondContact O-N 2.99Å; L451-L460 HydrophobicContact CD1-CD1 4.04Å; I458-L460 HydrophobicContact CG2-CD2 3.99Å; L460-L462 HydrophobicContact CB-CD2 3.89Å; L460-L462 HydrophobicContact CB-CG 4.26Å; L460-L462 HydrophobicContact CD1-CD2 4.48Å; L460-L462 PolarHBondContact O-N 3.21Å; L460-M564 HydrophobicContact CD1-CE 3.75Å; L460-A568 HydrophobicContact CD1-CB 4.32Å; L460-A568 HydrophobicContact CD2-CB 4.37Å; L460-L571 HydrophobicContact CD2-CD1 4.04Å
461	Q	94	Very high	83.5	Confident	56 Å²	56	49.8 Å²	49.8	26%	0.262	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	102.9	165.8	-76.9	-178.1	8.5	0	0	108.5	I409 F410 V412 F446 L448 W463	I409-Q461 HydrophobicContact CG2-CB 4.41Å; I409-Q461 HydrophobicContact CG2-CG 3.5Å; I409-Q461 VanDerWaalsContact CG2-CG 3.5Å; F410-Q461 PolarHBondContact O-N 3.47Å; V412-Q461 PolarHBondContact N-O 2.94Å; V412-Q461 VanDerWaalsContact O-O 3.07Å; F446-Q461 HydrophobicContact CE2-CB 3.8Å; F446-Q461 HydrophobicContact CE2-CG 3.72Å; F446-Q461 HydrophobicContact CZ-CB 4.39Å; F446-Q461 HydrophobicContact CZ-CG 3.87Å; L448-Q461 HydrophobicContact CD1-CG 3.91Å; Q461-W463 VanDerWaalsContact O-CD1 3.32Å
462	L	94.1	Very high	82.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.4	-175.7	-52.7	165.9	0	0	0	108.8	V412 L426 F429 T430 F446 H447 R449 L460 M564	V412-L462 HydrophobicContact CB-CD2 4.18Å; V412-L462 HydrophobicContact CG1-CD2 4.47Å; V412-L462 WeakPolarHBondContact O-CA 3.28Å; L426-L462 HydrophobicContact CD2-CB 3.93Å; L426-L462 HydrophobicContact CD2-CD1 4Å; L426-L462 HydrophobicContact CD2-CD2 4.14Å; L426-L462 HydrophobicContact CD2-CG 4.24Å; F429-L462 HydrophobicContact CD1-CD1 3.65Å; F429-L462 HydrophobicContact CE1-CD1 3.74Å; F429-L462 HydrophobicContact CE1-CD2 4.47Å; T430-L462 HydrophobicContact CG2-CD1 3.61Å; F446-L462 WeakPolarHBondContact CA-O 3.22Å; H447-L462 HydrophobicContact CB-CB 4.25Å; H447-L462 HydrophobicContact CB-CD1 4.25Å; H447-L462 PolarHBondContact N-O 3.38Å; H447-L462 PolarHBondContact O-N 2.96Å; R449-L462 HydrophobicContact CB-CD1 4.2Å; L460-L462 HydrophobicContact CB-CD2 3.89Å; L460-L462 HydrophobicContact CB-CG 4.26Å; L460-L462 HydrophobicContact CD1-CD2 4.48Å; L460-L462 PolarHBondContact O-N 3.21Å; L462-M564 HydrophobicContact CD2-CE 3.54Å
463	W	92.4	Very high	80.9	Confident	60 Å²	60	50.2 Å²	50.2	23%	0.227	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	105	177.9	-63.6	79	0	0	0	109	V412 V413 V414 I444 F446 Q461 Y478	V412-W463 PolarHBondContact O-N 3.35Å; V413-W463 HydrophobicContact CB-CB 4.42Å; V413-W463 HydrophobicContact CG1-CB 4.31Å; V413-W463 HydrophobicContact CG2-CB 4.13Å; V413-W463 HydrophobicContact CG2-CG 4.42Å; V414-W463 PolarHBondContact N-O 3.11Å; I444-W463 HydrophobicContact CG2-CE3 3.73Å; I444-W463 HydrophobicContact CG2-CZ3 4.35Å; F446-W463 HydrophobicContact CD2-CD2 4.15Å; F446-W463 AromaticContact CD2-CE2 3.85Å; F446-W463 HydrophobicContact CD2-CE3 4.47Å; F446-W463 HydrophobicContact CD2-CH2 4.31Å; F446-W463 AromaticContact CD2-CZ2 3.95Å; F446-W463 HydrophobicContact CD2-CZ2 3.95Å; F446-W463 HydrophobicContact CE2-CZ2 4.11Å; Q461-W463 VanDerWaalsContact O-CD1 3.32Å; W463-Y478 AromaticContact CE3-CD1 3.94Å; W463-Y478 HydrophobicContact CE3-CD1 3.94Å; W463-Y478 HydrophobicContact CE3-CE1 4.14Å; W463-Y478 HydrophobicContact CZ3-CD1 4.12Å; W463-Y478 AromaticContact CZ3-CE1 3.96Å; W463-Y478 HydrophobicContact CZ3-CE1 3.96Å
464	D	90.8	Very high	79.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.5	173.7	-170.1	22.6	0	0	0	109.7	K422 T423 L426 I444 D445	K422-D464 WeakPolarHBondContact CB-OD1 3.42Å; T423-D464 WeakPolarHBondContact CA-OD2 3.42Å; T423-D464 WeakPolarHBondContact CB-OD2 3.3Å; T423-D464 WeakPolarHBondContact CG2-OD2 3.3Å; T423-D464 PolarHBondContact OG1-OD2 3.09Å; L426-D464 HydrophobicContact CD1-CB 3.51Å; I444-D464 CarbonylContact C-O 3.48Å; I444-D464 WeakPolarHBondContact CA-O 3.3Å; I444-D464 WeakPolarHBondContact CG2-O 3.4Å; D445-D464 HydrophobicContact CB-CB 4.01Å; D445-D464 PolarHBondContact N-O 3.48Å; D445-D464 PolarHBondContact O-N 3.27Å
465	T	85.9	Confident	78.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.3	-177.9	69.1	0	0	0	0	111.6	V413 V414 K422 I444 G467 T475	V413-T465 HydrophobicContact CG1-CG2 3.68Å; V414-T465 WeakPolarHBondContact O-CB 3.47Å; V414-T465 WeakPolarHBondContact O-CG2 3.29Å; V414-T465 PolarHBondContact O-N 3.04Å; V414-T465 PolarHBondContact O-OG1 3.44Å; K422-T465 WeakPolarHBondContact CE-O 3.33Å; I444-T465 HydrophobicContact CD1-CG2 4.44Å; I444-T465 HydrophobicContact CG1-CG2 4.17Å; T465-G467 PolarHBondContact O-N 3Å; T465-T475 HydrophobicContact CG2-CG2 3.97Å
466	A	78.6	Confident	78.3	Confident	4 Å²	4	45 Å²	45	3%	0.033	21%	0.21	C	C	.	.			trans	-58	125.1	168.1	0	0	0	0	0	110.3	T441 G443 Q468 F471	T441-A466 VanDerWaalsContact O-CB 3.26Å; T441-A466 WeakPolarHBondContact O-CB 3.46Å; G443-A466 VanDerWaalsContact O-CB 3.27Å; G443-A466 WeakPolarHBondContact O-CB 3.45Å; G443-A466 PolarHBondContact O-N 3.02Å; A466-Q468 PolarHBondContact O-N 3.26Å; A466-F471 HydrophobicContact CB-CD2 4.35Å
467	G	63.5	Low	77.9	Confident	4 Å²	4	48.5 Å²	48.5	4%	0.041	23%	0.226	C	C	.	.			trans	-81.4	8.1	179.9	0	0	0	0	0	115.1	G416 D417 S418 K422 T465 E469	G416-G467 WeakPolarHBondContact O-CA 3.47Å; D417-G467 CarbonylContact C-O 3.51Å; S418-G467 PolarHBondContact N-O 3.01Å; K422-G467 VanDerWaalsContact NZ-CA 3.32Å; T465-G467 PolarHBondContact O-N 3Å; G467-E469 PolarHBondContact O-N 3.44Å
468	Q	65.4	Low	77.3	Confident	39 Å²	39	50.5 Å²	50.5	18%	0.182	23%	0.232	C	C	.	.			trans	-75.8	126.2	178.8	-75.4	-178.3	54.8	0	0	110	A466 R470 F471	A466-Q468 PolarHBondContact O-N 3.26Å; Q468-R470 PolarHBondContact O-N 3.37Å; Q468-R470 VanDerWaalsContact O-N 3.1Å; Q468-F471 HydrophobicContact CB-CD2 3.76Å; Q468-F471 HydrophobicContact CB-CE2 4.12Å; Q468-F471 PolarHBondContact O-N 3.43Å
469	E	55.7	Low	76.8	Confident	116 Å²	116	50.4 Å²	50.4	54%	0.542	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-50.6	-32.3	176.1	62.4	-65	149.5	0	0	113.4	G467 F471 R472	G467-E469 PolarHBondContact O-N 3.44Å; E469-F471 PolarHBondContact O-N 3Å; E469-R472 WeakPolarHBondContact O-CG 3.31Å; E469-R472 PolarHBondContact O-N 3.44Å
470	R	58.7	Low	76.4	Confident	182 Å²	182	58.6 Å²	58.6	69%	0.687	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64	-20.3	176.6	-66.2	-172.6	-66.6	169.9	1.2	114.1	Q468	Q468-R470 PolarHBondContact O-N 3.37Å; Q468-R470 VanDerWaalsContact O-N 3.1Å
471	F	59.9	Low	75.8	Confident	76 Å²	76	66 Å²	66	33%	0.333	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-107.1	7.1	-178.6	-56.6	-59	0	0	0	113.8	A466 Q468 E469 S473 I474 T475	A466-F471 HydrophobicContact CB-CD2 4.35Å; Q468-F471 HydrophobicContact CB-CD2 3.76Å; Q468-F471 HydrophobicContact CB-CE2 4.12Å; Q468-F471 PolarHBondContact O-N 3.43Å; E469-F471 PolarHBondContact O-N 3Å; F471-S473 PolarHBondContact O-N 2.89Å; F471-S473 VanDerWaalsContact O-N 3.1Å; F471-I474 HydrophobicContact CB-CD1 4.46Å; F471-I474 HydrophobicContact CD1-CD1 3.89Å; F471-I474 WeakPolarHBondContact O-CA 3.47Å; F471-I474 WeakPolarHBondContact O-CB 3.36Å; F471-I474 PolarHBondContact O-N 3.4Å; F471-T475 PolarHBondContact O-N 3.38Å; F471-T475 VanDerWaalsContact O-N 3.09Å; F471-T475 PolarHBondContact O-OG1 3.27Å
472	R	65.4	Low	75.7	Confident	57 Å²	57	63.6 Å²	63.6	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-52.7	-35.7	-178.7	-80.3	178.4	177.7	-173.6	2.4	113.8	D417 E469 I474 T475 K476 W503	D417-R472 IonicContact OD1-NH2 2.81Å; E469-R472 WeakPolarHBondContact O-CG 3.31Å; E469-R472 PolarHBondContact O-N 3.44Å; R472-I474 VanDerWaalsContact C-N 3.31Å; R472-I474 PolarHBondContact O-N 3.04Å; R472-T475 WeakPolarHBondContact O-CB 3.29Å; R472-T475 PolarHBondContact O-N 3.29Å; R472-K476 PolarHBondContact O-N 3Å; R472-K476 VanDerWaalsContact O-N 3.15Å; R472-W503 HydrophobicContact CG-CH2 3.59Å; R472-W503 HydrophobicContact CG-CZ2 4.18Å; R472-W503 HydrophobicContact CG-CZ3 3.97Å
473	S	64.4	Low	75.7	Confident	88 Å²	88	66.4 Å²	66.4	62%	0.615	30%	0.299	S	S	*	.	H	α-helix	trans	-65.2	-33.5	176.4	53.8	0	0	0	0	113	F471	F471-S473 PolarHBondContact O-N 2.89Å; F471-S473 VanDerWaalsContact O-N 3.1Å
474	I	65.7	Low	75.7	Confident	82 Å²	82	63.5 Å²	63.5	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-70.9	-45.1	174	-58.1	177.5	0	0	0	109	F471 R472 K476 Q477 Y478	F471-I474 HydrophobicContact CB-CD1 4.46Å; F471-I474 HydrophobicContact CD1-CD1 3.89Å; F471-I474 WeakPolarHBondContact O-CA 3.47Å; F471-I474 WeakPolarHBondContact O-CB 3.36Å; F471-I474 PolarHBondContact O-N 3.4Å; R472-I474 VanDerWaalsContact C-N 3.31Å; R472-I474 PolarHBondContact O-N 3.04Å; I474-K476 VanDerWaalsContact C-N 3.27Å; I474-K476 PolarHBondContact O-N 3.5Å; I474-Q477 PolarHBondContact O-N 2.99Å; I474-Y478 HydrophobicContact CG2-CE2 3.94Å; I474-Y478 VanDerWaalsContact O-CD2 3.29Å; I474-Y478 WeakPolarHBondContact O-CD2 3.44Å
475	T	69.1	Low	75.8	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-38.3	179.4	-42.6	0	0	0	0	112.6	T465 F471 R472 Q477 Y478 F479 W503	T465-T475 HydrophobicContact CG2-CG2 3.97Å; F471-T475 PolarHBondContact O-N 3.38Å; F471-T475 VanDerWaalsContact O-N 3.09Å; F471-T475 PolarHBondContact O-OG1 3.27Å; R472-T475 WeakPolarHBondContact O-CB 3.29Å; R472-T475 PolarHBondContact O-N 3.29Å; T475-Q477 VanDerWaalsContact C-N 3.27Å; T475-Q477 PolarHBondContact O-N 3.48Å; T475-Y478 PolarHBondContact O-N 3.34Å; T475-F479 HydrophobicContact CG2-CE1 4.02Å; T475-F479 HydrophobicContact CG2-CE2 4.01Å; T475-F479 HydrophobicContact CG2-CZ 3.5Å; T475-F479 PolarHBondContact O-N 3.42Å; T475-W503 HydrophobicContact CG2-CZ3 4.12Å
476	K	76.1	Confident	76.3	Confident	65 Å²	65	63.6 Å²	63.6	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-54.3	-40.1	178.8	-74.4	-167.8	-178.4	-164.3	0	113.3	R472 I474 Y478 F479 E509 V510	R472-K476 PolarHBondContact O-N 3Å; R472-K476 VanDerWaalsContact O-N 3.15Å; I474-K476 VanDerWaalsContact C-N 3.27Å; I474-K476 PolarHBondContact O-N 3.5Å; K476-Y478 PolarHBondContact O-N 2.75Å; K476-F479 PolarHBondContact O-N 3.42Å; K476-E509 IonicContact NZ-OE1 2.68Å; K476-E509 IonicContact NZ-OE2 3.9Å; K476-E509 PolarHBondContact NZ-OE2 3.19Å; K476-V510 HydrophobicContact CB-CG2 4.37Å; K476-V510 WeakPolarHBondContact O-CG1 3.43Å
477	Q	79.6	Confident	76.9	Confident	149 Å²	149	63.4 Å²	63.4	70%	0.696	29%	0.287	S	S	*	.	H	α-helix	trans	-64.2	-27.3	-178.7	-63.8	-174.9	-6.2	0	0	112.6	I474 T475 R480	I474-Q477 PolarHBondContact O-N 2.99Å; T475-Q477 VanDerWaalsContact C-N 3.27Å; T475-Q477 PolarHBondContact O-N 3.48Å; Q477-R480 WeakPolarHBondContact O-CB 3.4Å; Q477-R480 PolarHBondContact O-N 3.31Å
478	Y	80.8	Confident	78.4	Confident	76 Å²	76	63.3 Å²	63.3	30%	0.298	29%	0.286	S	S	.	.	H	α-helix	trans	-81.3	-24.9	-179	-69.5	-93.4	0	0	0	113.1	K411 I444 W463 I474 T475 K476 R480	K411-Y478 VanDerWaalsContact CE-O 3.24Å; K411-Y478 WeakPolarHBondContact CE-O 3.4Å; K411-Y478 PolarHBondContact NZ-O 3.41Å; I444-Y478 HydrophobicContact CD1-CD1 3.69Å; I444-Y478 HydrophobicContact CD1-CD2 3.19Å; I444-Y478 HydrophobicContact CD1-CE1 3.52Å; I444-Y478 HydrophobicContact CD1-CE2 3.03Å; I444-Y478 HydrophobicContact CD1-CG 3.52Å; I444-Y478 HydrophobicContact CG2-CD1 4.49Å; I444-Y478 HydrophobicContact CG2-CE1 4.26Å; W463-Y478 AromaticContact CE3-CD1 3.94Å; W463-Y478 HydrophobicContact CE3-CD1 3.94Å; W463-Y478 HydrophobicContact CE3-CE1 4.14Å; W463-Y478 HydrophobicContact CZ3-CD1 4.12Å; W463-Y478 AromaticContact CZ3-CE1 3.96Å; W463-Y478 HydrophobicContact CZ3-CE1 3.96Å; I474-Y478 HydrophobicContact CG2-CE2 3.94Å; I474-Y478 VanDerWaalsContact O-CD2 3.29Å; I474-Y478 WeakPolarHBondContact O-CD2 3.44Å; T475-Y478 PolarHBondContact O-N 3.34Å; K476-Y478 PolarHBondContact O-N 2.75Å; Y478-R480 PolarHBondContact O-N 2.98Å
479	F	83.6	Confident	79.8	Confident	1 Å²	1	61.5 Å²	61.5	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-23.4	171.6	-58.7	-38.6	0	0	0	112.4	V413 A415 T475 K476 K481 A482 V485 W503 V507 V510 T511	V413-F479 HydrophobicContact CB-CD1 4.13Å; V413-F479 HydrophobicContact CB-CE1 4.33Å; V413-F479 HydrophobicContact CG1-CD1 3.81Å; V413-F479 HydrophobicContact CG1-CE1 3.7Å; A415-F479 HydrophobicContact CB-CE1 3.82Å; A415-F479 HydrophobicContact CB-CZ 3.69Å; T475-F479 HydrophobicContact CG2-CE1 4.02Å; T475-F479 HydrophobicContact CG2-CE2 4.01Å; T475-F479 HydrophobicContact CG2-CZ 3.5Å; T475-F479 PolarHBondContact O-N 3.42Å; K476-F479 PolarHBondContact O-N 3.42Å; F479-K481 PolarHBondContact O-N 3.08Å; F479-A482 VanDerWaalsContact O-CB 3.27Å; F479-A482 WeakPolarHBondContact O-CB 3.48Å; F479-A482 PolarHBondContact O-N 2.94Å; F479-V485 HydrophobicContact CD1-CG1 4.42Å; F479-V485 HydrophobicContact CD1-CG2 4.06Å; F479-V485 HydrophobicContact CE1-CG1 4.11Å; F479-W503 HydrophobicContact CZ-CE3 4.47Å; F479-V507 HydrophobicContact CD1-CG2 4.34Å; F479-V507 HydrophobicContact CD2-CG2 4.08Å; F479-V507 HydrophobicContact CE1-CG2 4.17Å; F479-V507 HydrophobicContact CE2-CG2 3.92Å; F479-V507 HydrophobicContact CG-CG2 4.31Å; F479-V507 HydrophobicContact CZ-CG2 3.96Å; F479-V510 HydrophobicContact CB-CB 4.35Å; F479-V510 HydrophobicContact CB-CG1 4.39Å; F479-T511 HydrophobicContact CB-CG2 4.03Å; F479-T511 WeakPolarHBondContact O-CG2 3.46Å
480	R	84.2	Confident	81.7	Confident	172 Å²	172	56.6 Å²	56.6	65%	0.649	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	125.7	177.8	-164.4	177.6	-176.5	170.4	2.7	110.8	K411 Q477 Y478 A482 V510	K411-R480 PolarHBondContact NZ-O 2.81Å; Q477-R480 WeakPolarHBondContact O-CB 3.4Å; Q477-R480 PolarHBondContact O-N 3.31Å; Y478-R480 PolarHBondContact O-N 2.98Å; R480-A482 PolarHBondContact O-N 3.36Å; R480-V510 HydrophobicContact CB-CG1 4.05Å
481	K	84.3	Confident	83.4	Confident	155 Å²	155	48 Å²	48	67%	0.674	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	27.2	-176.1	-54.7	178.1	179.2	-174.9	0	113.9	F479	F479-K481 PolarHBondContact O-N 3.08Å
482	A	91.3	Very high	85	Confident	6 Å²	6	46.5 Å²	46.5	5%	0.05	22%	0.22	C	C	.	.			trans	-69.6	134.7	166.3	0	0	0	0	0	108.9	V413 F479 R480 V485	V413-A482 HydrophobicContact CG2-CB 3.9Å; F479-A482 VanDerWaalsContact O-CB 3.27Å; F479-A482 WeakPolarHBondContact O-CB 3.48Å; F479-A482 PolarHBondContact O-N 2.94Å; R480-A482 PolarHBondContact O-N 3.36Å; A482-V485 HydrophobicContact CB-CG2 4.07Å
483	D	93.5	Very high	86.2	Confident	58 Å²	58	45.8 Å²	45.8	31%	0.31	22%	0.224	S	C	.	.	S	Bend	trans	-79.2	-30.7	172.2	-58.6	-76.5	0	0	0	110.4	F410 K411 I516 L571	F410-D483 WeakPolarHBondContact CA-OD2 3.21Å; F410-D483 HydrophobicContact CB-CB 4.18Å; F410-D483 HydrophobicContact CD1-CB 4.09Å; K411-D483 PolarHBondContact N-OD2 3.43Å; K411-D483 PolarHBondContact O-N 3.28Å; D483-I516 PolarHBondContact O-N 3.13Å; D483-L571 HydrophobicContact CB-CD2 3.51Å
484	A	93.9	Very high	87.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.6	170.4	0	0	0	0	0	113.5	K411 V412 V413 I516 L567 L571	K411-A484 PolarHBondContact O-N 3.01Å; K411-A484 VanDerWaalsContact O-N 3.16Å; V412-A484 WeakPolarHBondContact CA-O 3.4Å; V412-A484 HydrophobicContact CG1-CB 4.34Å; V412-A484 HydrophobicContact CG2-CB 4.28Å; V413-A484 PolarHBondContact N-O 2.58Å; A484-I516 CarbonylContact C-O 3.55Å; A484-I516 WeakPolarHBondContact CA-O 3.17Å; A484-I516 HydrophobicContact CB-CB 4.13Å; A484-I516 WeakPolarHBondContact CB-O 3.5Å; A484-L567 HydrophobicContact CB-CD1 3.84Å; A484-L567 HydrophobicContact CB-CD2 4.32Å; A484-L567 HydrophobicContact CB-CG 4.39Å; A484-L571 HydrophobicContact CB-CD1 4.19Å; A484-L571 HydrophobicContact CB-CD2 4.1Å; A484-L571 HydrophobicContact CB-CG 4.43Å
485	V	93	Very high	88.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.1	170.6	-179.5	0	0	0	0	110.1	V413 F479 A482 L487 V507 T511 I516 I517 C518	V413-V485 HydrophobicContact CB-CG2 4.49Å; V413-V485 CarbonylContact O-C 3.56Å; V413-V485 VanDerWaalsContact O-CA 3.31Å; V413-V485 WeakPolarHBondContact O-CA 3.39Å; F479-V485 HydrophobicContact CD1-CG1 4.42Å; F479-V485 HydrophobicContact CD1-CG2 4.06Å; F479-V485 HydrophobicContact CE1-CG1 4.11Å; A482-V485 HydrophobicContact CB-CG2 4.07Å; V485-L487 HydrophobicContact CG1-CD2 3.91Å; V485-L487 HydrophobicContact CG1-CG 4.34Å; V485-V507 HydrophobicContact CB-CG1 4.14Å; V485-V507 HydrophobicContact CB-CG2 4.42Å; V485-V507 HydrophobicContact CG1-CG1 4.42Å; V485-V507 HydrophobicContact CG1-CG2 3.81Å; V485-V507 HydrophobicContact CG2-CG1 3.88Å; V485-V507 HydrophobicContact CG2-CG2 4.41Å; V485-T511 HydrophobicContact CG2-CG2 4.31Å; V485-I516 PolarHBondContact N-O 3.36Å; V485-I517 WeakPolarHBondContact O-CA 3.26Å; V485-C518 PolarHBondContact O-N 3.04Å
486	I	94.6	Very high	89.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.9	172	-59.7	176.8	0	0	0	108.4	V412 V413 V414 A415 C518 I520 M564 L567	V412-I486 HydrophobicContact CG1-CD1 3.83Å; V412-I486 HydrophobicContact CG1-CG1 3.91Å; V413-I486 PolarHBondContact O-N 2.96Å; V414-I486 CarbonylContact C-O 3.27Å; V414-I486 WeakPolarHBondContact CA-O 3.39Å; V414-I486 HydrophobicContact CB-CB 4.47Å; V414-I486 HydrophobicContact CG1-CB 4.19Å; V414-I486 HydrophobicContact CG1-CG2 4.17Å; V414-I486 HydrophobicContact CG2-CB 4.19Å; V414-I486 HydrophobicContact CG2-CD1 4.2Å; A415-I486 PolarHBondContact N-O 2.73Å; I486-C518 CarbonylContact C-O 3.48Å; I486-C518 VanDerWaalsContact CA-O 3.27Å; I486-C518 WeakPolarHBondContact CA-O 3.45Å; I486-C518 HydrophobicContact CG1-CB 4.28Å; I486-I520 HydrophobicContact CG2-CB 4.44Å; I486-I520 HydrophobicContact CG2-CD1 3.56Å; I486-I520 HydrophobicContact CG2-CG1 3.88Å; I486-M564 HydrophobicContact CD1-CE 4.17Å; I486-M564 HydrophobicContact CD1-SD 3.56Å; I486-M564 VanDerWaalsContact CD1-SD 3.56Å; I486-L567 HydrophobicContact CD1-CD2 3.79Å; I486-L567 HydrophobicContact CG1-CD2 3.89Å
487	L	93	Very high	90.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.4	172.7	-64	-175.7	0	0	0	109.6	A415 V485 V500 W503 L504 V507 I517 C518 I519 I520	A415-L487 HydrophobicContact CB-CD2 4.02Å; A415-L487 WeakPolarHBondContact O-CA 3.48Å; V485-L487 HydrophobicContact CG1-CD2 3.91Å; V485-L487 HydrophobicContact CG1-CG 4.34Å; L487-V500 HydrophobicContact CB-CG1 4.37Å; L487-V500 HydrophobicContact CD1-CG1 4.17Å; L487-W503 HydrophobicContact CD1-CB 4.42Å; L487-W503 HydrophobicContact CD2-CB 3.79Å; L487-L504 HydrophobicContact CD1-CB 3.87Å; L487-L504 HydrophobicContact CD1-CD1 3.8Å; L487-L504 HydrophobicContact CD1-CG 4.38Å; L487-V507 HydrophobicContact CD2-CG2 4.26Å; L487-I517 HydrophobicContact CD1-CG2 4.19Å; L487-I517 HydrophobicContact CG-CG2 4.46Å; L487-C518 PolarHBondContact N-O 3.35Å; L487-I519 HydrophobicContact CB-CG1 4.37Å; L487-I519 CarbonylContact O-C 3.57Å; L487-I519 WeakPolarHBondContact O-CA 3.39Å; L487-I520 PolarHBondContact O-N 3.22Å
488	M	94.5	Very high	90.8	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.8	-176.6	-167	175.1	-72.4	0	0	112	V414 A415 G416 V420 G421 K422 F425 I520 N522	V414-M488 HydrophobicContact CG1-CE 4.5Å; A415-M488 PolarHBondContact O-N 3.01Å; G416-M488 WeakPolarHBondContact CA-O 3.27Å; V420-M488 HydrophobicContact CB-CG 4.45Å; V420-M488 HydrophobicContact CG2-CB 4.02Å; V420-M488 HydrophobicContact CG2-CG 3.92Å; V420-M488 HydrophobicContact CG2-SD 4.21Å; G421-M488 VanDerWaalsContact C-SD 3.6Å; K422-M488 HydrophobicContact CB-SD 4.48Å; K422-M488 HydrophobicContact CG-CB 4.16Å; K422-M488 HydrophobicContact CG-SD 4.1Å; F425-M488 HydrophobicContact CB-CE 3.48Å; F425-M488 VanDerWaalsContact CB-CE 3.48Å; F425-M488 HydrophobicContact CB-SD 4.24Å; F425-M488 HydrophobicContact CD1-CE 3.8Å; F425-M488 HydrophobicContact CD2-CE 3.72Å; F425-M488 HydrophobicContact CE1-CE 4.47Å; F425-M488 HydrophobicContact CE2-CE 4.39Å; F425-M488 HydrophobicContact CG-CE 3.38Å; M488-I520 WeakPolarHBondContact CA-O 3.35Å; M488-I520 HydrophobicContact CE-CB 4.44Å; M488-I520 HydrophobicContact CE-CG2 4.28Å; M488-N522 HydrophobicContact CG-CB 4.02Å; M488-N522 HydrophobicContact SD-CB 3.96Å
489	F	94.6	Very high	91.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.6	169.6	69.4	-88.1	0	0	0	110.3	L491 F497 V500 I519 I520 N522 M534 Y549	F489-L491 HydrophobicContact CE2-CD2 3.91Å; F489-L491 HydrophobicContact CE2-CG 4.43Å; F489-L491 HydrophobicContact CZ-CD2 4.34Å; F489-F497 HydrophobicContact CD1-CD2 4.09Å; F489-F497 HydrophobicContact CD2-CB 4.01Å; F489-F497 AromaticContact CD2-CD2 3.7Å; F489-F497 HydrophobicContact CD2-CD2 3.7Å; F489-F497 HydrophobicContact CD2-CG 4.33Å; F489-F497 AromaticContact CE1-CD2 3.89Å; F489-F497 HydrophobicContact CE1-CD2 3.89Å; F489-F497 HydrophobicContact CE1-CE2 4.11Å; F489-F497 HydrophobicContact CE2-CB 4.44Å; F489-F497 AromaticContact CE2-CD2 3.49Å; F489-F497 HydrophobicContact CE2-CD2 3.49Å; F489-F497 VanDerWaalsContact CE2-CD2 3.49Å; F489-F497 HydrophobicContact CE2-CE2 4.09Å; F489-F497 HydrophobicContact CE2-CG 4.33Å; F489-F497 HydrophobicContact CG-CB 4.44Å; F489-F497 AromaticContact CG-CD2 3.99Å; F489-F497 HydrophobicContact CG-CD2 3.99Å; F489-F497 AromaticContact CZ-CD2 3.58Å; F489-F497 HydrophobicContact CZ-CD2 3.58Å; F489-F497 AromaticContact CZ-CE2 3.77Å; F489-F497 HydrophobicContact CZ-CE2 3.77Å; F489-V500 HydrophobicContact CB-CG2 3.82Å; F489-V500 HydrophobicContact CD1-CG2 3.91Å; F489-V500 HydrophobicContact CG-CG2 4.14Å; F489-I519 HydrophobicContact CD1-CG2 4.09Å; F489-I519 HydrophobicContact CE1-CG2 3.7Å; F489-I520 WeakPolarHBondContact CD1-O 3.48Å; F489-I520 PolarHBondContact N-O 3.3Å; F489-N522 PolarHBondContact O-N 3.25Å; F489-M534 HydrophobicContact CD2-CE 3.64Å; F489-M534 HydrophobicContact CD2-SD 4.46Å; F489-M534 HydrophobicContact CE2-CE 3.69Å; F489-M534 HydrophobicContact CE2-SD 3.91Å; F489-Y549 HydrophobicContact CE1-CE2 4.01Å; F489-Y549 HydrophobicContact CZ-CE2 4.05Å
490	D	94.9	Very high	91.4	Very high	14 Å²	14	38.4 Å²	38.4	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.1	179.6	171.3	-7.7	0	0	0	109.3	V420 T492 S493 S496 K523 M534	V420-D490 HydrophobicContact CB-CB 4.25Å; V420-D490 HydrophobicContact CG1-CB 4.17Å; D490-T492 VanDerWaalsContact CG-OG1 3.26Å; D490-T492 PolarHBondContact O-N 3.04Å; D490-T492 WeakPolarHBondContact OD1-CB 3.26Å; D490-T492 PolarHBondContact OD1-N 3.44Å; D490-T492 PolarHBondContact OD1-OG1 3.4Å; D490-T492 PolarHBondContact OD2-OG1 2.85Å; D490-S493 PolarHBondContact O-N 3.21Å; D490-S496 PolarHBondContact N-OG 2.94Å; D490-S496 PolarHBondContact O-OG 3.28Å; D490-K523 HydrophobicContact CB-CD 4.38Å; D490-K523 VanDerWaalsContact CG-CD 3.5Å; D490-K523 WeakPolarHBondContact OD2-CD 3.42Å; D490-K523 WeakPolarHBondContact OD2-CE 3.35Å; D490-K523 IonicContact OD2-NZ 3.59Å; D490-K523 PolarHBondContact OD2-NZ 2.97Å; D490-M534 WeakPolarHBondContact O-CE 3.34Å
491	L	94.4	Very high	91.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-14.1	-178.6	-76	166.7	0	0	0	115.3	F489 G521 N522 T524 L527 M534 E551	F489-L491 HydrophobicContact CE2-CD2 3.91Å; F489-L491 HydrophobicContact CE2-CG 4.43Å; F489-L491 HydrophobicContact CZ-CD2 4.34Å; L491-G521 WeakPolarHBondContact CD1-O 3.48Å; L491-N522 WeakPolarHBondContact CB-O 3.27Å; L491-N522 WeakPolarHBondContact CG-O 3.26Å; L491-N522 PolarHBondContact N-O 3.26Å; L491-T524 HydrophobicContact CD1-CG2 3.4Å; L491-L527 HydrophobicContact CB-CD1 4.05Å; L491-L527 HydrophobicContact CB-CD2 4.39Å; L491-L527 HydrophobicContact CB-CG 4.27Å; L491-L527 HydrophobicContact CD1-CD1 4.01Å; L491-L527 HydrophobicContact CG-CD1 4.46Å; L491-M534 VanDerWaalsContact C-SD 3.59Å; L491-M534 VanDerWaalsContact CA-SD 3.59Å; L491-M534 HydrophobicContact CB-SD 4.45Å; L491-M534 HydrophobicContact CD2-SD 4.05Å; L491-M534 WeakPolarHBondContact O-CE 3.43Å; L491-M534 PolarHBondContact O-N 2.92Å; L491-M534 VanDerWaalsContact O-N 3.13Å; L491-E551 HydrophobicContact CD1-CB 4.25Å; L491-E551 HydrophobicContact CD1-CG 4.17Å; L491-E551 HydrophobicContact CD2-CG 4.31Å
492	T	93.2	Very high	91.6	Very high	46 Å²	46	31.7 Å²	31.7	28%	0.282	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-6.1	176.9	67.9	0	0	0	0	113.9	D490 L526 L527 H531	D490-T492 VanDerWaalsContact CG-OG1 3.26Å; D490-T492 PolarHBondContact O-N 3.04Å; D490-T492 WeakPolarHBondContact OD1-CB 3.26Å; D490-T492 PolarHBondContact OD1-N 3.44Å; D490-T492 PolarHBondContact OD1-OG1 3.4Å; D490-T492 PolarHBondContact OD2-OG1 2.85Å; T492-L526 HydrophobicContact CG2-CB 3.6Å; T492-L526 HydrophobicContact CG2-CD1 3.86Å; T492-L526 HydrophobicContact CG2-CG 4.39Å; T492-L527 HydrophobicContact CG2-CD2 4.21Å; T492-H531 HydrophobicContact CG2-CB 3.86Å
493	S	92.1	Very high	91.4	Very high	42 Å²	42	31.6 Å²	31.6	29%	0.294	15%	0.153	S	C	.	.			trans	-118	103.4	-176.9	176.7	0	0	0	0	112	D490 Q495 S496 F497 M534	D490-S493 PolarHBondContact O-N 3.21Å; S493-Q495 VanDerWaalsContact C-N 3.27Å; S493-Q495 PolarHBondContact O-N 3.22Å; S493-S496 WeakPolarHBondContact CB-OG 3.43Å; S493-S496 PolarHBondContact O-N 3.36Å; S493-S496 PolarHBondContact O-OG 3.17Å; S493-S496 PolarHBondContact OG-N 3.29Å; S493-F497 PolarHBondContact O-N 3.34Å; S493-M534 WeakPolarHBondContact O-CE 3.5Å
494	E	90.9	Very high	91.1	Very high	85 Å²	85	28.9 Å²	28.9	40%	0.397	14%	0.139	S	C	.	.	H	α-helix	trans	-58.7	-37.7	176.9	-170	-175	156.6	0	0	112.6	S496 F497 K498 M534	E494-S496 VanDerWaalsContact C-N 3.35Å; E494-S496 PolarHBondContact O-N 3.39Å; E494-F497 WeakPolarHBondContact O-CB 3.43Å; E494-F497 PolarHBondContact O-N 3.44Å; E494-K498 HydrophobicContact CG-CD 4.46Å; E494-K498 PolarHBondContact O-N 3.32Å; E494-K498 WeakPolarHBondContact OE1-CE 3.44Å; E494-K498 IonicContact OE1-NZ 3.83Å; E494-K498 PolarHBondContact OE1-NZ 3.43Å; E494-M534 HydrophobicContact CB-CB 4.05Å; E494-M534 HydrophobicContact CG-CB 4.43Å
495	Q	90	Very high	90.8	Very high	112 Å²	112	32.1 Å²	32.1	52%	0.523	16%	0.161	S	C	.	.	H	α-helix	trans	-63.5	-41.6	178.9	-173.3	60	49.5	0	0	111.8	S493 F497 K498 N499	S493-Q495 VanDerWaalsContact C-N 3.27Å; S493-Q495 PolarHBondContact O-N 3.22Å; Q495-F497 PolarHBondContact O-N 3.2Å; Q495-K498 PolarHBondContact O-N 3.39Å; Q495-N499 PolarHBondContact NE2-ND2 2.9Å; Q495-N499 PolarHBondContact NE2-OD1 3.09Å; Q495-N499 WeakPolarHBondContact O-CB 3.43Å; Q495-N499 VanDerWaalsContact O-CG 3.31Å; Q495-N499 PolarHBondContact O-N 2.89Å; Q495-N499 PolarHBondContact O-ND2 3.4Å
496	S	91.5	Very high	90.4	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-35.1	178.8	75.7	0	0	0	0	111.8	D490 S493 E494 V500	D490-S496 PolarHBondContact N-OG 2.94Å; D490-S496 PolarHBondContact O-OG 3.28Å; S493-S496 WeakPolarHBondContact CB-OG 3.43Å; S493-S496 PolarHBondContact O-N 3.36Å; S493-S496 PolarHBondContact O-OG 3.17Å; S493-S496 PolarHBondContact OG-N 3.29Å; E494-S496 VanDerWaalsContact C-N 3.35Å; E494-S496 PolarHBondContact O-N 3.39Å; S496-V500 PolarHBondContact O-N 3.03Å
497	F	90.2	Very high	90	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-72.1	-46.2	176.9	-178	-111.9	0	0	0	112.5	F489 S493 E494 Q495 N499 V500 M534 R536 F539 P541	F489-F497 HydrophobicContact CD1-CD2 4.09Å; F489-F497 HydrophobicContact CD2-CB 4.01Å; F489-F497 AromaticContact CD2-CD2 3.7Å; F489-F497 HydrophobicContact CD2-CD2 3.7Å; F489-F497 HydrophobicContact CD2-CG 4.33Å; F489-F497 AromaticContact CE1-CD2 3.89Å; F489-F497 HydrophobicContact CE1-CD2 3.89Å; F489-F497 HydrophobicContact CE1-CE2 4.11Å; F489-F497 HydrophobicContact CE2-CB 4.44Å; F489-F497 AromaticContact CE2-CD2 3.49Å; F489-F497 HydrophobicContact CE2-CD2 3.49Å; F489-F497 VanDerWaalsContact CE2-CD2 3.49Å; F489-F497 HydrophobicContact CE2-CE2 4.09Å; F489-F497 HydrophobicContact CE2-CG 4.33Å; F489-F497 HydrophobicContact CG-CB 4.44Å; F489-F497 AromaticContact CG-CD2 3.99Å; F489-F497 HydrophobicContact CG-CD2 3.99Å; F489-F497 AromaticContact CZ-CD2 3.58Å; F489-F497 HydrophobicContact CZ-CD2 3.58Å; F489-F497 AromaticContact CZ-CE2 3.77Å; F489-F497 HydrophobicContact CZ-CE2 3.77Å; S493-F497 PolarHBondContact O-N 3.34Å; E494-F497 WeakPolarHBondContact O-CB 3.43Å; E494-F497 PolarHBondContact O-N 3.44Å; Q495-F497 PolarHBondContact O-N 3.2Å; F497-N499 PolarHBondContact O-N 3.12Å; F497-V500 VanDerWaalsContact O-CB 3.28Å; F497-V500 WeakPolarHBondContact O-CB 3.43Å; F497-V500 WeakPolarHBondContact O-CG2 3.44Å; F497-V500 PolarHBondContact O-N 3.5Å; F497-M534 HydrophobicContact CB-CE 3.93Å; F497-M534 HydrophobicContact CB-CG 4.3Å; F497-M534 HydrophobicContact CD1-CG 4.37Å; F497-M534 HydrophobicContact CG-CG 4.31Å; F497-R536 HydrophobicContact CZ-CG 4.49Å; F497-F539 HydrophobicContact CE1-CB 3.76Å; F497-F539 AromaticContact CE1-CD1 3.99Å; F497-F539 HydrophobicContact CE1-CD1 3.99Å; F497-F539 HydrophobicContact CE1-CG 4.35Å; F497-F539 AromaticContact CE2-CD1 3.74Å; F497-F539 HydrophobicContact CE2-CD1 3.74Å; F497-F539 HydrophobicContact CE2-CE1 4.38Å; F497-F539 HydrophobicContact CZ-CB 3.88Å; F497-F539 AromaticContact CZ-CD1 3.46Å; F497-F539 HydrophobicContact CZ-CD1 3.46Å; F497-F539 VanDerWaalsContact CZ-CD1 3.46Å; F497-F539 HydrophobicContact CZ-CE1 4.46Å; F497-F539 HydrophobicContact CZ-CG 4.07Å; F497-F539 VanDerWaalsContact CZ-O 3.22Å; F497-F539 WeakPolarHBondContact CZ-O 3.39Å; F497-P541 HydrophobicContact CE2-CG 3.72Å; F497-P541 HydrophobicContact CZ-CG 4.08Å
498	K	88.9	Confident	89.6	Confident	82 Å²	82	37.9 Å²	37.9	36%	0.357	19%	0.19	S	C	.	.	H	α-helix	trans	-58	-36.7	175.1	-74.4	-178.6	175.1	172.3	0	112.1	E494 Q495 V500	E494-K498 HydrophobicContact CG-CD 4.46Å; E494-K498 PolarHBondContact O-N 3.32Å; E494-K498 WeakPolarHBondContact OE1-CE 3.44Å; E494-K498 IonicContact OE1-NZ 3.83Å; E494-K498 PolarHBondContact OE1-NZ 3.43Å; Q495-K498 PolarHBondContact O-N 3.39Å; K498-V500 VanDerWaalsContact C-N 3.27Å; K498-V500 PolarHBondContact O-N 3.49Å
499	N	89	Confident	89.2	Confident	19 Å²	19	44.3 Å²	44.3	10%	0.102	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.2	179.4	-74.4	-14.2	0	0	0	113.9	D417 Q495 F497 R501 Q502 W503	D417-N499 WeakPolarHBondContact OD2-CB 3.46Å; D417-N499 PolarHBondContact OD2-ND2 3.17Å; Q495-N499 PolarHBondContact NE2-ND2 2.9Å; Q495-N499 PolarHBondContact NE2-OD1 3.09Å; Q495-N499 WeakPolarHBondContact O-CB 3.43Å; Q495-N499 VanDerWaalsContact O-CG 3.31Å; Q495-N499 PolarHBondContact O-N 2.89Å; Q495-N499 PolarHBondContact O-ND2 3.4Å; F497-N499 PolarHBondContact O-N 3.12Å; N499-R501 PolarHBondContact O-N 3.45Å; N499-Q502 WeakPolarHBondContact O-CB 3.48Å; N499-Q502 PolarHBondContact O-N 3.22Å; N499-W503 PolarHBondContact O-N 2.93Å
500	V	88.4	Confident	88.7	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-55.6	-39.2	175.3	175.8	0	0	0	0	111.3	L487 F489 S496 F497 K498 Q502 W503 L504 F539	L487-V500 HydrophobicContact CB-CG1 4.37Å; L487-V500 HydrophobicContact CD1-CG1 4.17Å; F489-V500 HydrophobicContact CB-CG2 3.82Å; F489-V500 HydrophobicContact CD1-CG2 3.91Å; F489-V500 HydrophobicContact CG-CG2 4.14Å; S496-V500 PolarHBondContact O-N 3.03Å; F497-V500 VanDerWaalsContact O-CB 3.28Å; F497-V500 WeakPolarHBondContact O-CB 3.43Å; F497-V500 WeakPolarHBondContact O-CG2 3.44Å; F497-V500 PolarHBondContact O-N 3.5Å; K498-V500 VanDerWaalsContact C-N 3.27Å; K498-V500 PolarHBondContact O-N 3.49Å; V500-Q502 VanDerWaalsContact C-N 3.3Å; V500-Q502 PolarHBondContact O-N 3.45Å; V500-W503 WeakPolarHBondContact O-CB 3.37Å; V500-W503 PolarHBondContact O-N 3.32Å; V500-L504 VanDerWaalsContact O-CB 3.3Å; V500-L504 WeakPolarHBondContact O-CB 3.35Å; V500-L504 PolarHBondContact O-N 3.25Å; V500-F539 HydrophobicContact CG1-CE1 4.24Å
501	R	85.9	Confident	88.2	Confident	97 Å²	97	46.7 Å²	46.7	37%	0.366	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-39.1	176.6	-73.6	-178.7	165.4	166.7	-5	112.9	N499 L504 S505 E538 F539 E544	N499-R501 PolarHBondContact O-N 3.45Å; R501-L504 PolarHBondContact O-N 3.47Å; R501-S505 PolarHBondContact O-N 3.11Å; R501-S505 PolarHBondContact O-OG 3.17Å; R501-E538 PolarHBondContact NH2-O 2.9Å; R501-F539 HydrophobicContact CG-CD2 4.49Å; R501-E544 IonicContact NH2-OE1 3.26Å; R501-E544 IonicContact NH2-OE2 3.74Å; R501-E544 PolarHBondContact NH2-OE2 3.06Å
502	Q	86.1	Confident	87.4	Confident	89 Å²	89	52 Å²	52	42%	0.416	26%	0.263	S	S	.	.	H	α-helix	trans	-72.5	-36.3	177.8	-61	177.2	11.4	0	0	112	N499 V500 L504 S505 S506	N499-Q502 WeakPolarHBondContact O-CB 3.48Å; N499-Q502 PolarHBondContact O-N 3.22Å; V500-Q502 VanDerWaalsContact C-N 3.3Å; V500-Q502 PolarHBondContact O-N 3.45Å; Q502-L504 VanDerWaalsContact C-N 3.32Å; Q502-S505 PolarHBondContact O-OG 2.78Å; Q502-S506 PolarHBondContact O-N 2.72Å; Q502-S506 PolarHBondContact O-OG 3.13Å
503	W	87.3	Confident	86.7	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-44.4	173	-74.8	113.5	0	0	0	110.7	A415 D417 R472 T475 F479 L487 N499 V500 S506 V507	A415-W503 HydrophobicContact CB-CE3 4.13Å; A415-W503 HydrophobicContact CB-CZ3 4.35Å; D417-W503 PolarHBondContact OD1-NE1 3.38Å; R472-W503 HydrophobicContact CG-CH2 3.59Å; R472-W503 HydrophobicContact CG-CZ2 4.18Å; R472-W503 HydrophobicContact CG-CZ3 3.97Å; T475-W503 HydrophobicContact CG2-CZ3 4.12Å; F479-W503 HydrophobicContact CZ-CE3 4.47Å; L487-W503 HydrophobicContact CD1-CB 4.42Å; L487-W503 HydrophobicContact CD2-CB 3.79Å; N499-W503 PolarHBondContact O-N 2.93Å; V500-W503 WeakPolarHBondContact O-CB 3.37Å; V500-W503 PolarHBondContact O-N 3.32Å; W503-S506 WeakPolarHBondContact O-CB 2.87Å; W503-S506 PolarHBondContact O-N 3.4Å; W503-S506 VanDerWaalsContact O-N 3.1Å; W503-V507 WeakPolarHBondContact O-CG2 3.39Å; W503-V507 PolarHBondContact O-N 3.12Å
504	L	87.1	Confident	86.2	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-46.3	-179.3	-172.2	57.8	0	0	0	112.9	L487 V500 R501 Q502 S506 V507 E508 I517 Y545	L487-L504 HydrophobicContact CD1-CB 3.87Å; L487-L504 HydrophobicContact CD1-CD1 3.8Å; L487-L504 HydrophobicContact CD1-CG 4.38Å; V500-L504 VanDerWaalsContact O-CB 3.3Å; V500-L504 WeakPolarHBondContact O-CB 3.35Å; V500-L504 PolarHBondContact O-N 3.25Å; R501-L504 PolarHBondContact O-N 3.47Å; Q502-L504 VanDerWaalsContact C-N 3.32Å; L504-S506 PolarHBondContact O-N 3.4Å; L504-V507 WeakPolarHBondContact O-CB 3.43Å; L504-V507 PolarHBondContact O-N 3.05Å; L504-E508 HydrophobicContact CD1-CG 4.48Å; L504-E508 WeakPolarHBondContact O-CG 3.2Å; L504-E508 PolarHBondContact O-N 3.3Å; L504-I517 HydrophobicContact CD1-CD1 3.5Å; L504-I517 VanDerWaalsContact CD1-CD1 3.5Å; L504-I517 HydrophobicContact CD1-CG2 3.92Å; L504-Y545 HydrophobicContact CD2-CD1 3.95Å; L504-Y545 HydrophobicContact CD2-CD2 3.94Å; L504-Y545 HydrophobicContact CD2-CE1 3.36Å; L504-Y545 HydrophobicContact CD2-CE2 3.3Å; L504-Y545 HydrophobicContact CD2-CG 4.23Å; L504-Y545 WeakPolarHBondContact CD2-OH 3.22Å; L504-Y545 HydrophobicContact CG-CE1 4.22Å
505	S	86.2	Confident	86.1	Confident	67 Å²	67	58.9 Å²	58.9	47%	0.469	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-32.1	173.6	62.5	0	0	0	0	112.5	R501 Q502 E509	R501-S505 PolarHBondContact O-N 3.11Å; R501-S505 PolarHBondContact O-OG 3.17Å; Q502-S505 PolarHBondContact O-OG 2.78Å; S505-E509 WeakPolarHBondContact O-CB 3.38Å; S505-E509 PolarHBondContact O-N 3.1Å
506	S	85.7	Confident	86.2	Confident	17 Å²	17	54.8 Å²	54.8	12%	0.119	27%	0.274	C	S	.	.	H	α-helix	trans	-75.1	-27.5	177.2	-56.7	0	0	0	0	113	Q502 W503 L504	Q502-S506 PolarHBondContact O-N 2.72Å; Q502-S506 PolarHBondContact O-OG 3.13Å; W503-S506 WeakPolarHBondContact O-CB 2.87Å; W503-S506 PolarHBondContact O-N 3.4Å; W503-S506 VanDerWaalsContact O-N 3.1Å; L504-S506 PolarHBondContact O-N 3.4Å
507	V	85.9	Confident	86.2	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-75.3	-52.2	175.5	171.3	0	0	0	0	109.3	F479 V485 L487 W503 L504 E509 V510 T511 I517	F479-V507 HydrophobicContact CD1-CG2 4.34Å; F479-V507 HydrophobicContact CD2-CG2 4.08Å; F479-V507 HydrophobicContact CE1-CG2 4.17Å; F479-V507 HydrophobicContact CE2-CG2 3.92Å; F479-V507 HydrophobicContact CG-CG2 4.31Å; F479-V507 HydrophobicContact CZ-CG2 3.96Å; V485-V507 HydrophobicContact CB-CG1 4.14Å; V485-V507 HydrophobicContact CB-CG2 4.42Å; V485-V507 HydrophobicContact CG1-CG1 4.42Å; V485-V507 HydrophobicContact CG1-CG2 3.81Å; V485-V507 HydrophobicContact CG2-CG1 3.88Å; V485-V507 HydrophobicContact CG2-CG2 4.41Å; L487-V507 HydrophobicContact CD2-CG2 4.26Å; W503-V507 WeakPolarHBondContact O-CG2 3.39Å; W503-V507 PolarHBondContact O-N 3.12Å; L504-V507 WeakPolarHBondContact O-CB 3.43Å; L504-V507 PolarHBondContact O-N 3.05Å; V507-E509 PolarHBondContact O-N 3.41Å; V507-E509 VanDerWaalsContact O-N 3.16Å; V507-V510 PolarHBondContact O-N 2.98Å; V507-T511 HydrophobicContact CG1-CG2 3.7Å; V507-T511 PolarHBondContact O-N 2.89Å; V507-T511 PolarHBondContact O-OG1 2.86Å; V507-I517 HydrophobicContact CG1-CD1 4.19Å
508	E	85.8	Confident	86.3	Confident	106 Å²	106	55.7 Å²	55.7	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-28.9	179.9	-69.8	176.2	165.5	0	0	113.2	L504 V510	L504-E508 HydrophobicContact CD1-CG 4.48Å; L504-E508 WeakPolarHBondContact O-CG 3.2Å; L504-E508 PolarHBondContact O-N 3.3Å; E508-V510 VanDerWaalsContact C-N 3.28Å; E508-V510 PolarHBondContact O-N 3.49Å
509	E	86	Confident	86.6	Confident	137 Å²	137	52 Å²	52	64%	0.64	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.8	175.5	-171.1	-175	176.2	0	0	113.3	K476 S505 V507	K476-E509 IonicContact NZ-OE1 2.68Å; K476-E509 IonicContact NZ-OE2 3.9Å; K476-E509 PolarHBondContact NZ-OE2 3.19Å; S505-E509 WeakPolarHBondContact O-CB 3.38Å; S505-E509 PolarHBondContact O-N 3.1Å; V507-E509 PolarHBondContact O-N 3.41Å; V507-E509 VanDerWaalsContact O-N 3.16Å
510	V	84	Confident	86.9	Confident	44 Å²	44	51.2 Å²	51.2	27%	0.267	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-26.9	-167.2	-171.5	0	0	0	0	114	K476 F479 R480 V507 E508	K476-V510 HydrophobicContact CB-CG2 4.37Å; K476-V510 WeakPolarHBondContact O-CG1 3.43Å; F479-V510 HydrophobicContact CB-CB 4.35Å; F479-V510 HydrophobicContact CB-CG1 4.39Å; R480-V510 HydrophobicContact CB-CG1 4.05Å; V507-V510 PolarHBondContact O-N 2.98Å; E508-V510 VanDerWaalsContact C-N 3.28Å; E508-V510 PolarHBondContact O-N 3.49Å
511	T	83	Confident	87.2	Confident	21 Å²	21	51.1 Å²	51.1	13%	0.129	26%	0.258	C	S	.	.	S	Bend	trans	-86	152.7	-178.8	55.8	0	0	0	0	112.5	F479 V485 V507 C515	F479-T511 HydrophobicContact CB-CG2 4.03Å; F479-T511 WeakPolarHBondContact O-CG2 3.46Å; V485-T511 HydrophobicContact CG2-CG2 4.31Å; V507-T511 HydrophobicContact CG1-CG2 3.7Å; V507-T511 PolarHBondContact O-N 2.89Å; V507-T511 PolarHBondContact O-OG1 2.86Å; T511-C515 HydrophobicContact CG2-CB 4.14Å
512	D	78.7	Confident	87.7	Confident	110 Å²	110	46.6 Å²	46.6	59%	0.588	24%	0.241	S	C	*	.			trans	-68.3	156.1	171.1	-59.2	-41.5	0	0	0	110.6	N514 C515	D512-N514 PolarHBondContact O-N 3.35Å; D512-C515 WeakPolarHBondContact O-CB 3.41Å; D512-C515 PolarHBondContact O-N 2.86Å
513	E	77.9	Confident	88.2	Confident	199 Å²	199	44.7 Å²	44.7	93%	0.93	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.9	178.5	-64.8	179.7	177.1	0	0	113.5
514	N	82.7	Confident	88.6	Confident	102 Å²	102	45.4 Å²	45.4	55%	0.545	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.7	179.4	-69.6	-19.1	0	0	0	114.2	D512 I516 N578	D512-N514 PolarHBondContact O-N 3.35Å; N514-I516 PolarHBondContact O-N 3.29Å; N514-N578 PolarHBondContact ND2-ND2 2.88Å; N514-N578 PolarHBondContact ND2-OD1 3.49Å
515	C	88.7	Confident	89	Confident	17 Å²	17	45.9 Å²	45.9	12%	0.115	24%	0.239	C	C	.	.			trans	-70.2	126.6	179.5	178.7	0	0	0	0	110.9	T511 D512	T511-C515 HydrophobicContact CG2-CB 4.14Å; D512-C515 WeakPolarHBondContact O-CB 3.41Å; D512-C515 PolarHBondContact O-N 2.86Å
516	I	91.3	Very high	89.3	Confident	26 Å²	26	44.3 Å²	44.3	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.3	178.4	-65.7	163.7	0	0	0	109.8	D483 A484 V485 N514 L567 L570 L571 A574	D483-I516 PolarHBondContact O-N 3.13Å; A484-I516 CarbonylContact C-O 3.55Å; A484-I516 WeakPolarHBondContact CA-O 3.17Å; A484-I516 HydrophobicContact CB-CB 4.13Å; A484-I516 WeakPolarHBondContact CB-O 3.5Å; V485-I516 PolarHBondContact N-O 3.36Å; N514-I516 PolarHBondContact O-N 3.29Å; I516-L567 HydrophobicContact CB-CD1 4.46Å; I516-L567 HydrophobicContact CG2-CD1 3.71Å; I516-L570 HydrophobicContact CD1-CB 3.75Å; I516-L570 HydrophobicContact CG2-CD1 4.35Å; I516-L571 HydrophobicContact CD1-CB 4.48Å; I516-L571 HydrophobicContact CD1-CD2 3.92Å; I516-L571 HydrophobicContact CD1-CG 3.95Å; I516-A574 HydrophobicContact CD1-CB 4.13Å
517	I	91.2	Very high	89.5	Confident	29 Å²	29	45.2 Å²	45.2	15%	0.149	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	177.5	-54.5	-178.6	0	0	0	109.1	V485 L487 L504 V507 G547 L548	V485-I517 WeakPolarHBondContact O-CA 3.26Å; L487-I517 HydrophobicContact CD1-CG2 4.19Å; L487-I517 HydrophobicContact CG-CG2 4.46Å; L504-I517 HydrophobicContact CD1-CD1 3.5Å; L504-I517 VanDerWaalsContact CD1-CD1 3.5Å; L504-I517 HydrophobicContact CD1-CG2 3.92Å; V507-I517 HydrophobicContact CG1-CD1 4.19Å; I517-G547 WeakPolarHBondContact O-CA 3.18Å; I517-L548 PolarHBondContact O-N 3.29Å
518	C	93.3	Very high	89.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.9	177.1	180	0	0	0	0	109.5	V485 I486 L487 L548 L567	V485-C518 PolarHBondContact O-N 3.04Å; I486-C518 CarbonylContact C-O 3.48Å; I486-C518 VanDerWaalsContact CA-O 3.27Å; I486-C518 WeakPolarHBondContact CA-O 3.45Å; I486-C518 HydrophobicContact CG1-CB 4.28Å; L487-C518 PolarHBondContact N-O 3.35Å; C518-L548 CarbonylContact C-O 3.49Å; C518-L548 WeakPolarHBondContact CA-O 3.45Å; C518-L548 HydrophobicContact CB-CB 4.12Å; C518-L567 HydrophobicContact CB-CD1 4.16Å
519	I	93.7	Very high	89.6	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.7	179.5	-62	174.9	0	0	0	108.6	L487 F489 P541 L548 Y549 F550	L487-I519 HydrophobicContact CB-CG1 4.37Å; L487-I519 CarbonylContact O-C 3.57Å; L487-I519 WeakPolarHBondContact O-CA 3.39Å; F489-I519 HydrophobicContact CD1-CG2 4.09Å; F489-I519 HydrophobicContact CE1-CG2 3.7Å; I519-P541 HydrophobicContact CD1-CB 3.95Å; I519-P541 HydrophobicContact CG2-CB 4.19Å; I519-P541 HydrophobicContact CG2-CG 4.46Å; I519-L548 PolarHBondContact N-O 3.48Å; I519-Y549 HydrophobicContact CB-CD2 4.08Å; I519-Y549 HydrophobicContact CG2-CD2 3.84Å; I519-Y549 HydrophobicContact CG2-CE2 4.11Å; I519-Y549 WeakPolarHBondContact O-CA 3.42Å; I519-F550 PolarHBondContact O-N 3.46Å
520	I	95.2	Very high	89.6	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.6	-179	-57.4	-175.2	0	0	0	110.5	F425 I486 L487 M488 F489 F550 A552 A563	F425-I520 HydrophobicContact CE1-CD1 3.98Å; F425-I520 HydrophobicContact CE2-CD1 4.02Å; F425-I520 HydrophobicContact CE2-CG2 4.1Å; F425-I520 HydrophobicContact CZ-CD1 3.51Å; I486-I520 HydrophobicContact CG2-CB 4.44Å; I486-I520 HydrophobicContact CG2-CD1 3.56Å; I486-I520 HydrophobicContact CG2-CG1 3.88Å; L487-I520 PolarHBondContact O-N 3.22Å; M488-I520 WeakPolarHBondContact CA-O 3.35Å; M488-I520 HydrophobicContact CE-CB 4.44Å; M488-I520 HydrophobicContact CE-CG2 4.28Å; F489-I520 WeakPolarHBondContact CD1-O 3.48Å; F489-I520 PolarHBondContact N-O 3.3Å; I520-F550 CarbonylContact C-O 3.54Å; I520-F550 WeakPolarHBondContact CA-O 3.35Å; I520-A552 HydrophobicContact CG2-CB 4.05Å; I520-A563 HydrophobicContact CD1-CB 4.28Å
521	G	95.3	Very high	89.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	103.7	165.7	0	0	0	0	0	110	L491 F550 E551 A552	L491-G521 WeakPolarHBondContact CD1-O 3.48Å; G521-F550 PolarHBondContact N-O 3.32Å; G521-E551 CarbonylContact O-C 3.55Å; G521-E551 VanDerWaalsContact O-CA 3.29Å; G521-E551 WeakPolarHBondContact O-CA 3.5Å; G521-A552 PolarHBondContact O-N 3.1Å
522	N	96.8	Very high	89.7	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	169.2	-177.9	-165.4	23.9	0	0	0	111.9	V420 M488 F489 L491 A552 A554	V420-N522 PolarHBondContact O-ND2 3.17Å; M488-N522 HydrophobicContact CG-CB 4.02Å; M488-N522 HydrophobicContact SD-CB 3.96Å; F489-N522 PolarHBondContact O-N 3.25Å; L491-N522 WeakPolarHBondContact CB-O 3.27Å; L491-N522 WeakPolarHBondContact CG-O 3.26Å; L491-N522 PolarHBondContact N-O 3.26Å; N522-A552 CarbonylContact C-O 3.6Å; N522-A552 VanDerWaalsContact C-O 3.27Å; N522-A552 VanDerWaalsContact CA-O 3.24Å; N522-A552 WeakPolarHBondContact CA-O 3.48Å; N522-A552 PolarHBondContact OD1-O 3.05Å; N522-A554 PolarHBondContact OD1-N 3.48Å
523	K	96	Very high	90.2	Very high	48 Å²	48	55 Å²	55	21%	0.209	29%	0.293	C	S	.	.			trans	69.5	39	176.7	-43.7	-166.7	-166	169.1	0	114.7	G419 D490 D525 L526 A552	G419-K523 WeakPolarHBondContact O-CE 3.34Å; G419-K523 PolarHBondContact O-NZ 3.47Å; D490-K523 HydrophobicContact CB-CD 4.38Å; D490-K523 VanDerWaalsContact CG-CD 3.5Å; D490-K523 WeakPolarHBondContact OD2-CD 3.42Å; D490-K523 WeakPolarHBondContact OD2-CE 3.35Å; D490-K523 IonicContact OD2-NZ 3.59Å; D490-K523 PolarHBondContact OD2-NZ 2.97Å; K523-D525 WeakPolarHBondContact CA-OD1 3.45Å; K523-D525 PolarHBondContact O-N 3.01Å; K523-L526 HydrophobicContact CB-CD1 3.96Å; K523-L526 HydrophobicContact CB-CG 4.15Å; K523-L526 HydrophobicContact CD-CD1 3.8Å; K523-L526 PolarHBondContact O-N 3.38Å; K523-A552 PolarHBondContact N-O 2.79Å
524	T	95.6	Very high	90.6	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.117	25%	0.252	C	S	.	.	H	α-helix	trans	-54.7	-31	171.5	51.3	0	0	0	0	112.8	L491 L526 L527 E528 E551 A552 S553	L491-T524 HydrophobicContact CD1-CG2 3.4Å; T524-L526 PolarHBondContact O-N 3.19Å; T524-L527 WeakPolarHBondContact O-CB 3.47Å; T524-L527 PolarHBondContact O-N 3.45Å; T524-E528 PolarHBondContact O-N 2.96Å; T524-E551 HydrophobicContact CG2-CB 3.7Å; T524-A552 PolarHBondContact N-O 3.31Å; T524-A552 VanDerWaalsContact N-O 3.16Å; T524-A552 PolarHBondContact OG1-O 3.49Å; T524-S553 VanDerWaalsContact OG1-CB 3.25Å; T524-S553 WeakPolarHBondContact OG1-CB 3.46Å; T524-S553 PolarHBondContact OG1-N 3.28Å
525	D	95.7	Very high	90.1	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.064	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-26.7	177.1	64.9	-79.3	0	0	0	113.6	K523 Q529 S553 K555 T556	K523-D525 WeakPolarHBondContact CA-OD1 3.45Å; K523-D525 PolarHBondContact O-N 3.01Å; D525-Q529 VanDerWaalsContact O-CG 3.25Å; D525-Q529 WeakPolarHBondContact O-CG 3.36Å; D525-Q529 PolarHBondContact O-N 3.4Å; D525-Q529 PolarHBondContact O-NE2 3.29Å; D525-S553 WeakPolarHBondContact OD1-CB 3.38Å; D525-S553 PolarHBondContact OD1-OG 3.48Å; D525-K555 WeakPolarHBondContact OD2-CD 3.27Å; D525-K555 IonicContact OD2-NZ 3.8Å; D525-T556 HydrophobicContact CB-CG2 4.02Å
526	L	92.9	Very high	89.2	Confident	34 Å²	34	48.8 Å²	48.8	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-76.5	-32.2	175.9	-64.1	-177.6	0	0	0	112	T492 K523 T524 Q529 G530 H531	T492-L526 HydrophobicContact CG2-CB 3.6Å; T492-L526 HydrophobicContact CG2-CD1 3.86Å; T492-L526 HydrophobicContact CG2-CG 4.39Å; K523-L526 HydrophobicContact CB-CD1 3.96Å; K523-L526 HydrophobicContact CB-CG 4.15Å; K523-L526 HydrophobicContact CD-CD1 3.8Å; K523-L526 PolarHBondContact O-N 3.38Å; T524-L526 PolarHBondContact O-N 3.19Å; L526-Q529 CarbonylContact O-C 3.6Å; L526-Q529 PolarHBondContact O-N 3.3Å; L526-G530 PolarHBondContact O-N 2.81Å; L526-H531 HydrophobicContact CB-CB 4.22Å; L526-H531 VanDerWaalsContact O-CB 3.27Å; L526-H531 WeakPolarHBondContact O-CB 3.36Å; L526-H531 PolarHBondContact O-N 2.73Å; L526-H531 PolarHBondContact O-ND1 2.94Å
527	L	90.1	Very high	87.7	Confident	36 Å²	36	55.5 Å²	55.5	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-40.4	174.4	-57.3	-173.9	0	0	0	110.9	L491 T492 T524 Q529 G530 R533	L491-L527 HydrophobicContact CB-CD1 4.05Å; L491-L527 HydrophobicContact CB-CD2 4.39Å; L491-L527 HydrophobicContact CB-CG 4.27Å; L491-L527 HydrophobicContact CD1-CD1 4.01Å; L491-L527 HydrophobicContact CG-CD1 4.46Å; T492-L527 HydrophobicContact CG2-CD2 4.21Å; T524-L527 WeakPolarHBondContact O-CB 3.47Å; T524-L527 PolarHBondContact O-N 3.45Å; L527-Q529 PolarHBondContact O-N 3.13Å; L527-G530 WeakPolarHBondContact O-CA 3.47Å; L527-G530 PolarHBondContact O-N 2.96Å; L527-R533 HydrophobicContact CD1-CB 4.35Å; L527-R533 HydrophobicContact CD1-CG 4.3Å; L527-R533 HydrophobicContact CD2-CB 3.82Å; L527-R533 HydrophobicContact CD2-CG 4.45Å
528	E	86.4	Confident	86.1	Confident	147 Å²	147	60.3 Å²	60.3	69%	0.687	31%	0.309	S	S	*	.	H	α-helix	trans	-63.6	-30.7	174.1	-65	179.5	176.5	0	0	112.2	T524 G530	T524-E528 PolarHBondContact O-N 2.96Å; E528-G530 PolarHBondContact O-N 3.42Å
529	Q	87.7	Confident	84.4	Confident	109 Å²	109	60.6 Å²	60.6	51%	0.509	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.7	172.1	-69.5	163.2	39.6	0	0	113.5	D525 L526 L527	D525-Q529 VanDerWaalsContact O-CG 3.25Å; D525-Q529 WeakPolarHBondContact O-CG 3.36Å; D525-Q529 PolarHBondContact O-N 3.4Å; D525-Q529 PolarHBondContact O-NE2 3.29Å; L526-Q529 CarbonylContact O-C 3.6Å; L526-Q529 PolarHBondContact O-N 3.3Å; L527-Q529 PolarHBondContact O-N 3.13Å
530	G	85.9	Confident	83.3	Confident	66 Å²	66	64.9 Å²	64.9	68%	0.68	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	11.9	175.6	0	0	0	0	0	115.6	L526 L527 E528	L526-G530 PolarHBondContact O-N 2.81Å; L527-G530 WeakPolarHBondContact O-CA 3.47Å; L527-G530 PolarHBondContact O-N 2.96Å; E528-G530 PolarHBondContact O-N 3.42Å
531	H	86.1	Confident	81.9	Confident	96 Å²	96	64.9 Å²	64.9	44%	0.444	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-67.1	145.3	171	-65.3	74.7	0	0	0	110.3	T492 L526 R533	T492-H531 HydrophobicContact CG2-CB 3.86Å; L526-H531 HydrophobicContact CB-CB 4.22Å; L526-H531 VanDerWaalsContact O-CB 3.27Å; L526-H531 WeakPolarHBondContact O-CB 3.36Å; L526-H531 PolarHBondContact O-N 2.73Å; L526-H531 PolarHBondContact O-ND1 2.94Å; H531-R533 PolarHBondContact O-N 3.22Å
532	A	83.4	Confident	80.6	Confident	83 Å²	83	69.3 Å²	69.3	69%	0.686	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-64	127.8	177	0	0	0	0	0	110.4
533	R	89.2	Confident	79	Confident	123 Å²	123	75.8 Å²	75.8	46%	0.464	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-67.7	142.5	166.4	-176.8	-179.9	-94.5	175.7	-9.4	108.5	L527 H531 E551	L527-R533 HydrophobicContact CD1-CB 4.35Å; L527-R533 HydrophobicContact CD1-CG 4.3Å; L527-R533 HydrophobicContact CD2-CB 3.82Å; L527-R533 HydrophobicContact CD2-CG 4.45Å; H531-R533 PolarHBondContact O-N 3.22Å; R533-E551 IonicContact CZ-OE1 3.78Å; R533-E551 IonicContact CZ-OE2 3.9Å; R533-E551 IonicContact NH2-OE1 3.96Å; R533-E551 PolarHBondContact NH2-OE1 3.05Å; R533-E551 IonicContact NH2-OE2 3.64Å; R533-E551 PolarHBondContact NH2-OE2 3.12Å
534	M	85.3	Confident	77.2	Confident	13 Å²	13	78.6 Å²	78.6	6%	0.064	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-59.2	152.6	172.2	72.1	-85.6	-68.7	0	0	112.4	F489 D490 L491 S493 E494 F497	F489-M534 HydrophobicContact CD2-CE 3.64Å; F489-M534 HydrophobicContact CD2-SD 4.46Å; F489-M534 HydrophobicContact CE2-CE 3.69Å; F489-M534 HydrophobicContact CE2-SD 3.91Å; D490-M534 WeakPolarHBondContact O-CE 3.34Å; L491-M534 VanDerWaalsContact C-SD 3.59Å; L491-M534 VanDerWaalsContact CA-SD 3.59Å; L491-M534 HydrophobicContact CB-SD 4.45Å; L491-M534 HydrophobicContact CD2-SD 4.05Å; L491-M534 WeakPolarHBondContact O-CE 3.43Å; L491-M534 PolarHBondContact O-N 2.92Å; L491-M534 VanDerWaalsContact O-N 3.13Å; S493-M534 WeakPolarHBondContact O-CE 3.5Å; E494-M534 HydrophobicContact CB-CB 4.05Å; E494-M534 HydrophobicContact CG-CB 4.43Å; F497-M534 HydrophobicContact CB-CE 3.93Å; F497-M534 HydrophobicContact CB-CG 4.3Å; F497-M534 HydrophobicContact CD1-CG 4.37Å; F497-M534 HydrophobicContact CG-CG 4.31Å
535	H	73.4	Confident	75.5	Confident	122 Å²	122	81 Å²	81	57%	0.565	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-70.7	128.9	170.3	-84	-96.2	0	0	0	110.9	E537	H535-E537 IonicContact CE1-OE1 2.96Å; H535-E537 IonicContact ND1-OE1 3.62Å; H535-E537 PolarHBondContact ND1-OE1 3.36Å; H535-E537 VanDerWaalsContact ND1-OE1 3.09Å
536	R	69.6	Low	73.8	Confident	51 Å²	51	90.7 Å²	90.7	19%	0.192	45%	0.446	C	S	.	.			trans	-95.9	4.7	179.9	-71.2	-170.5	-178.3	-172.8	1.9	114.5	F497 E538 F539 E542 Y549 E551	F497-R536 HydrophobicContact CZ-CG 4.49Å; R536-E538 PolarHBondContact O-N 3.43Å; R536-F539 PolarHBondContact O-N 3.18Å; R536-F539 VanDerWaalsContact O-N 3.15Å; R536-F539 VanDerWaalsContact O-O 3.1Å; R536-E542 IonicContact CZ-OE1 3.91Å; R536-E542 IonicContact NH1-OE1 2.89Å; R536-E542 PolarHBondContact NH1-OE1 2.92Å; R536-E542 IonicContact NH1-OE2 2.72Å; R536-Y549 PolarHBondContact NH2-OH 3.02Å; R536-E551 IonicContact CZ-OE1 3.29Å; R536-E551 IonicContact NH2-OE1 3.33Å; R536-E551 PolarHBondContact NH2-OE1 3.21Å
537	E	60	Low	72.5	Confident	168 Å²	168	90.9 Å²	90.9	79%	0.785	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.1	-165	-71.7	171.8	-150.2	0	0	114.3	H535	H535-E537 IonicContact CE1-OE1 2.96Å; H535-E537 IonicContact ND1-OE1 3.62Å; H535-E537 PolarHBondContact ND1-OE1 3.36Å; H535-E537 VanDerWaalsContact ND1-OE1 3.09Å
538	E	57.4	Low	72.2	Confident	129 Å²	129	90.7 Å²	90.7	60%	0.603	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-19.8	-177.7	-65.4	179.1	176.7	0	0	114.7	R501 R536	R501-E538 PolarHBondContact NH2-O 2.9Å; R536-E538 PolarHBondContact O-N 3.43Å
539	F	57.7	Low	72.5	Confident	7 Å²	7	85.8 Å²	85.8	3%	0.031	43%	0.431	C	S	.	.			trans	-150.1	122.1	-169.8	-174.5	-126.6	0	0	0	110.3	F497 V500 R501 R536 P541 E544 Y545	F497-F539 HydrophobicContact CE1-CB 3.76Å; F497-F539 AromaticContact CE1-CD1 3.99Å; F497-F539 HydrophobicContact CE1-CD1 3.99Å; F497-F539 HydrophobicContact CE1-CG 4.35Å; F497-F539 AromaticContact CE2-CD1 3.74Å; F497-F539 HydrophobicContact CE2-CD1 3.74Å; F497-F539 HydrophobicContact CE2-CE1 4.38Å; F497-F539 HydrophobicContact CZ-CB 3.88Å; F497-F539 AromaticContact CZ-CD1 3.46Å; F497-F539 HydrophobicContact CZ-CD1 3.46Å; F497-F539 VanDerWaalsContact CZ-CD1 3.46Å; F497-F539 HydrophobicContact CZ-CE1 4.46Å; F497-F539 HydrophobicContact CZ-CG 4.07Å; F497-F539 VanDerWaalsContact CZ-O 3.22Å; F497-F539 WeakPolarHBondContact CZ-O 3.39Å; V500-F539 HydrophobicContact CG1-CE1 4.24Å; R501-F539 HydrophobicContact CG-CD2 4.49Å; R536-F539 PolarHBondContact O-N 3.18Å; R536-F539 VanDerWaalsContact O-N 3.15Å; R536-F539 VanDerWaalsContact O-O 3.1Å; F539-P541 HydrophobicContact CD1-CG 3.95Å; F539-P541 HydrophobicContact CE1-CB 4.19Å; F539-P541 HydrophobicContact CE1-CG 3.7Å; F539-P541 HydrophobicContact CZ-CB 4.44Å; F539-P541 HydrophobicContact CZ-CG 4.38Å; F539-E544 WeakPolarHBondContact CD2-OE2 3.39Å; F539-E544 HydrophobicContact CE2-CB 4.17Å; F539-E544 HydrophobicContact CE2-CG 4.49Å; F539-E544 VanDerWaalsContact CE2-OE2 3.25Å; F539-E544 WeakPolarHBondContact CE2-OE2 3.29Å; F539-Y545 AromaticContact CE2-CD2 3.87Å; F539-Y545 HydrophobicContact CE2-CD2 3.87Å; F539-Y545 AromaticContact CE2-CE2 3.62Å; F539-Y545 HydrophobicContact CE2-CE2 3.62Å; F539-Y545 AromaticContact CZ-CD2 3.75Å; F539-Y545 HydrophobicContact CZ-CD2 3.75Å; F539-Y545 AromaticContact CZ-CE2 3.73Å; F539-Y545 HydrophobicContact CZ-CE2 3.73Å
540	K	70.5	Confident	72.8	Confident	95 Å²	95	82.2 Å²	82.2	41%	0.413	41%	0.414	S	S	.	.			trans	-117.7	97.2	172.3	-72.8	179.3	179.2	177.7	0	108.2	E542 E543 E544	K540-E542 PolarHBondContact O-N 2.91Å; K540-E543 HydrophobicContact CB-CB 4.09Å; K540-E543 HydrophobicContact CB-CG 4.23Å; K540-E543 HydrophobicContact CD-CG 4.14Å; K540-E543 VanDerWaalsContact CD-OE1 3.24Å; K540-E543 WeakPolarHBondContact CD-OE1 3.32Å; K540-E543 WeakPolarHBondContact CD-OE2 3.36Å; K540-E543 IonicContact NZ-OE1 2.77Å; K540-E543 PolarHBondContact NZ-OE1 3.45Å; K540-E543 IonicContact NZ-OE2 3.78Å; K540-E543 PolarHBondContact NZ-OE2 3.43Å; K540-E543 PolarHBondContact O-N 3.39Å; K540-E544 PolarHBondContact O-N 3.4Å
541	P	64.1	Low	73.2	Confident	2 Å²	2	81.4 Å²	81.4	1%	0.013	39%	0.392	C	S	.	.	H	α-helix	trans	-52.3	-34.5	-176.2	-24.9	31.1	0	0	0	112.9	F497 I519 F539 Y545 Y549	F497-P541 HydrophobicContact CE2-CG 3.72Å; F497-P541 HydrophobicContact CZ-CG 4.08Å; I519-P541 HydrophobicContact CD1-CB 3.95Å; I519-P541 HydrophobicContact CG2-CB 4.19Å; I519-P541 HydrophobicContact CG2-CG 4.46Å; F539-P541 HydrophobicContact CD1-CG 3.95Å; F539-P541 HydrophobicContact CE1-CB 4.19Å; F539-P541 HydrophobicContact CE1-CG 3.7Å; F539-P541 HydrophobicContact CZ-CB 4.44Å; F539-P541 HydrophobicContact CZ-CG 4.38Å; P541-Y545 PolarHBondContact O-N 2.95Å; P541-Y549 HydrophobicContact CB-CD2 3.73Å; P541-Y549 HydrophobicContact CB-CE2 4.11Å; P541-Y549 HydrophobicContact CB-CG 4.39Å; P541-Y549 HydrophobicContact CG-CD2 4.19Å; P541-Y549 HydrophobicContact CG-CE2 4.04Å
542	E	68.6	Low	73.7	Confident	92 Å²	92	76.9 Å²	76.9	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-69.8	-28.7	-178.5	-52.6	129.8	-161.8	0	0	113.5	R536 K540 Y549	R536-E542 IonicContact CZ-OE1 3.91Å; R536-E542 IonicContact NH1-OE1 2.89Å; R536-E542 PolarHBondContact NH1-OE1 2.92Å; R536-E542 IonicContact NH1-OE2 2.72Å; K540-E542 PolarHBondContact O-N 2.91Å; E542-Y549 HydrophobicContact CG-CD1 3.46Å; E542-Y549 VanDerWaalsContact CG-CD1 3.46Å; E542-Y549 HydrophobicContact CG-CE1 4.08Å; E542-Y549 HydrophobicContact CG-CG 3.83Å; E542-Y549 WeakPolarHBondContact OE1-CD1 3.49Å; E542-Y549 WeakPolarHBondContact OE1-CE1 3.47Å
543	E	62.9	Low	74.4	Confident	139 Å²	139	72.9 Å²	72.9	65%	0.65	34%	0.338	S	S	*	.	H	α-helix	trans	-97.9	-35.2	-176.4	-68.7	178.8	-166.9	0	0	111.7	K540	K540-E543 HydrophobicContact CB-CB 4.09Å; K540-E543 HydrophobicContact CB-CG 4.23Å; K540-E543 HydrophobicContact CD-CG 4.14Å; K540-E543 VanDerWaalsContact CD-OE1 3.24Å; K540-E543 WeakPolarHBondContact CD-OE1 3.32Å; K540-E543 WeakPolarHBondContact CD-OE2 3.36Å; K540-E543 IonicContact NZ-OE1 2.77Å; K540-E543 PolarHBondContact NZ-OE1 3.45Å; K540-E543 IonicContact NZ-OE2 3.78Å; K540-E543 PolarHBondContact NZ-OE2 3.43Å; K540-E543 PolarHBondContact O-N 3.39Å
544	E	58.6	Low	74.7	Confident	108 Å²	108	67.2 Å²	67.2	51%	0.505	32%	0.317	S	S	.	.	H	α-helix	trans	-90.7	-21.4	-171.2	-155.5	166.6	-173.3	0	0	112.9	R501 F539 K540	R501-E544 IonicContact NH2-OE1 3.26Å; R501-E544 IonicContact NH2-OE2 3.74Å; R501-E544 PolarHBondContact NH2-OE2 3.06Å; F539-E544 WeakPolarHBondContact CD2-OE2 3.39Å; F539-E544 HydrophobicContact CE2-CB 4.17Å; F539-E544 HydrophobicContact CE2-CG 4.49Å; F539-E544 VanDerWaalsContact CE2-OE2 3.25Å; F539-E544 WeakPolarHBondContact CE2-OE2 3.29Å; K540-E544 PolarHBondContact O-N 3.4Å
545	Y	60.8	Low	75.2	Confident	69 Å²	69	71 Å²	71	27%	0.271	33%	0.333	S	S	.	.			trans	-125.3	126.5	178.3	-73.4	-78.4	0	0	0	110.9	L504 F539 P541 G547	L504-Y545 HydrophobicContact CD2-CD1 3.95Å; L504-Y545 HydrophobicContact CD2-CD2 3.94Å; L504-Y545 HydrophobicContact CD2-CE1 3.36Å; L504-Y545 HydrophobicContact CD2-CE2 3.3Å; L504-Y545 HydrophobicContact CD2-CG 4.23Å; L504-Y545 WeakPolarHBondContact CD2-OH 3.22Å; L504-Y545 HydrophobicContact CG-CE1 4.22Å; F539-Y545 AromaticContact CE2-CD2 3.87Å; F539-Y545 HydrophobicContact CE2-CD2 3.87Å; F539-Y545 AromaticContact CE2-CE2 3.62Å; F539-Y545 HydrophobicContact CE2-CE2 3.62Å; F539-Y545 AromaticContact CZ-CD2 3.75Å; F539-Y545 HydrophobicContact CZ-CD2 3.75Å; F539-Y545 AromaticContact CZ-CE2 3.73Å; F539-Y545 HydrophobicContact CZ-CE2 3.73Å; P541-Y545 PolarHBondContact O-N 2.95Å; Y545-G547 PolarHBondContact O-N 3.22Å
546	Q	58.9	Low	76.3	Confident	215 Å²	215	68.4 Å²	68.4	100%	1.005	33%	0.326	S	S	*	.	S	Bend	trans	-66	15.1	171.7	-68.3	-178.4	-10.5	0	0	113.2
547	G	66.9	Low	77.5	Confident	38 Å²	38	67 Å²	67	39%	0.392	33%	0.328	S	S	.	.	S	Bend	trans	-87.2	174.6	-177.9	0	0	0	0	0	112.9	I517 Y545	I517-G547 WeakPolarHBondContact O-CA 3.18Å; Y545-G547 PolarHBondContact O-N 3.22Å
548	L	84	Confident	79.2	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.168	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.2	174.2	-73.2	174.4	0	0	0	110	I517 C518 I519 F550 Q566 L567 L570	I517-L548 PolarHBondContact O-N 3.29Å; C518-L548 CarbonylContact C-O 3.49Å; C518-L548 WeakPolarHBondContact CA-O 3.45Å; C518-L548 HydrophobicContact CB-CB 4.12Å; I519-L548 PolarHBondContact N-O 3.48Å; L548-F550 HydrophobicContact CB-CD2 4.39Å; L548-F550 HydrophobicContact CB-CE2 3.91Å; L548-F550 HydrophobicContact CD1-CE2 4.26Å; L548-F550 HydrophobicContact CD2-CE2 4.13Å; L548-F550 HydrophobicContact CD2-CZ 4.43Å; L548-F550 HydrophobicContact CG-CE2 4.33Å; L548-Q566 HydrophobicContact CD1-CB 4.46Å; L548-L567 HydrophobicContact CD1-CB 4.29Å; L548-L567 HydrophobicContact CD1-CD1 4.24Å; L548-L570 HydrophobicContact CD1-CD1 3.46Å; L548-L570 VanDerWaalsContact CD1-CD1 3.46Å; L548-L570 HydrophobicContact CD1-CG 4.27Å; L548-L570 HydrophobicContact CD2-CD1 3.86Å; L548-L570 HydrophobicContact CG-CD1 3.54Å
549	Y	91.8	Very high	81	Confident	44 Å²	44	59.1 Å²	59.1	17%	0.173	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.9	171.5	178.4	-103.6	0	0	0	110.8	F489 I519 R536 P541 E542 E551	F489-Y549 HydrophobicContact CE1-CE2 4.01Å; F489-Y549 HydrophobicContact CZ-CE2 4.05Å; I519-Y549 HydrophobicContact CB-CD2 4.08Å; I519-Y549 HydrophobicContact CG2-CD2 3.84Å; I519-Y549 HydrophobicContact CG2-CE2 4.11Å; I519-Y549 WeakPolarHBondContact O-CA 3.42Å; R536-Y549 PolarHBondContact NH2-OH 3.02Å; P541-Y549 HydrophobicContact CB-CD2 3.73Å; P541-Y549 HydrophobicContact CB-CE2 4.11Å; P541-Y549 HydrophobicContact CB-CG 4.39Å; P541-Y549 HydrophobicContact CG-CD2 4.19Å; P541-Y549 HydrophobicContact CG-CE2 4.04Å; E542-Y549 HydrophobicContact CG-CD1 3.46Å; E542-Y549 VanDerWaalsContact CG-CD1 3.46Å; E542-Y549 HydrophobicContact CG-CE1 4.08Å; E542-Y549 HydrophobicContact CG-CG 3.83Å; E542-Y549 WeakPolarHBondContact OE1-CD1 3.49Å; E542-Y549 WeakPolarHBondContact OE1-CE1 3.47Å; Y549-E551 HydrophobicContact CE1-CG 3.91Å; Y549-E551 WeakPolarHBondContact OH-CG 3.49Å; Y549-E551 PolarHBondContact OH-OE1 2.74Å
550	F	93.7	Very high	82.9	Confident	35 Å²	35	58.8 Å²	58.8	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.6	175.4	-67.6	-85.6	0	0	0	111.8	I519 I520 G521 L548 E562 A563 Q566	I519-F550 PolarHBondContact O-N 3.46Å; I520-F550 CarbonylContact C-O 3.54Å; I520-F550 WeakPolarHBondContact CA-O 3.35Å; G521-F550 PolarHBondContact N-O 3.32Å; L548-F550 HydrophobicContact CB-CD2 4.39Å; L548-F550 HydrophobicContact CB-CE2 3.91Å; L548-F550 HydrophobicContact CD1-CE2 4.26Å; L548-F550 HydrophobicContact CD2-CE2 4.13Å; L548-F550 HydrophobicContact CD2-CZ 4.43Å; L548-F550 HydrophobicContact CG-CE2 4.33Å; F550-E562 HydrophobicContact CE1-CG 4.36Å; F550-A563 HydrophobicContact CB-CB 4Å; F550-A563 HydrophobicContact CD1-CB 3.97Å; F550-A563 HydrophobicContact CD2-CB 3.6Å; F550-A563 HydrophobicContact CE1-CB 4.38Å; F550-A563 HydrophobicContact CE2-CB 4.02Å; F550-A563 HydrophobicContact CG-CB 3.58Å; F550-A563 HydrophobicContact CZ-CB 4.41Å; F550-Q566 HydrophobicContact CE2-CB 4.33Å; F550-Q566 HydrophobicContact CZ-CB 3.8Å; F550-Q566 HydrophobicContact CZ-CG 3.88Å
551	E	94.9	Very high	84	Confident	49 Å²	49	57.1 Å²	57.1	23%	0.229	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.1	161.7	-68.7	-173.5	-147.7	0	0	108.8	L491 G521 T524 R533 R536 Y549 S559	L491-E551 HydrophobicContact CD1-CB 4.25Å; L491-E551 HydrophobicContact CD1-CG 4.17Å; L491-E551 HydrophobicContact CD2-CG 4.31Å; G521-E551 CarbonylContact O-C 3.55Å; G521-E551 VanDerWaalsContact O-CA 3.29Å; G521-E551 WeakPolarHBondContact O-CA 3.5Å; T524-E551 HydrophobicContact CG2-CB 3.7Å; R533-E551 IonicContact CZ-OE1 3.78Å; R533-E551 IonicContact CZ-OE2 3.9Å; R533-E551 IonicContact NH2-OE1 3.96Å; R533-E551 PolarHBondContact NH2-OE1 3.05Å; R533-E551 IonicContact NH2-OE2 3.64Å; R533-E551 PolarHBondContact NH2-OE2 3.12Å; R536-E551 IonicContact CZ-OE1 3.29Å; R536-E551 IonicContact NH2-OE1 3.33Å; R536-E551 PolarHBondContact NH2-OE1 3.21Å; Y549-E551 HydrophobicContact CE1-CG 3.91Å; Y549-E551 WeakPolarHBondContact OH-CG 3.49Å; Y549-E551 PolarHBondContact OH-OE1 2.74Å; E551-S559 WeakPolarHBondContact O-CB 3.48Å; E551-S559 PolarHBondContact O-OG 3.21Å; E551-S559 VanDerWaalsContact O-OG 3.07Å
552	A	96.7	Very high	85.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.			trans	-141	163.5	-172.5	0	0	0	0	0	112.6	F425 I520 G521 N522 K523 T524 D558 V560	F425-A552 HydrophobicContact CD2-CB 4.48Å; F425-A552 HydrophobicContact CE2-CB 3.88Å; I520-A552 HydrophobicContact CG2-CB 4.05Å; G521-A552 PolarHBondContact O-N 3.1Å; N522-A552 CarbonylContact C-O 3.6Å; N522-A552 VanDerWaalsContact C-O 3.27Å; N522-A552 VanDerWaalsContact CA-O 3.24Å; N522-A552 WeakPolarHBondContact CA-O 3.48Å; N522-A552 PolarHBondContact OD1-O 3.05Å; K523-A552 PolarHBondContact N-O 2.79Å; T524-A552 PolarHBondContact N-O 3.31Å; T524-A552 VanDerWaalsContact N-O 3.16Å; T524-A552 PolarHBondContact OG1-O 3.49Å; A552-D558 VanDerWaalsContact CA-O 3.32Å; A552-D558 WeakPolarHBondContact CA-O 3.23Å; A552-D558 WeakPolarHBondContact CB-O 3.4Å; A552-V560 HydrophobicContact CB-CG2 4.45Å
553	S	97.2	Very high	86.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.			trans	-128.8	115.1	164.7	172.4	0	0	0	0	110.2	T524 D525 K555 T556 G557 D558	T524-S553 VanDerWaalsContact OG1-CB 3.25Å; T524-S553 WeakPolarHBondContact OG1-CB 3.46Å; T524-S553 PolarHBondContact OG1-N 3.28Å; D525-S553 WeakPolarHBondContact OD1-CB 3.38Å; D525-S553 PolarHBondContact OD1-OG 3.48Å; S553-K555 PolarHBondContact O-N 2.81Å; S553-K555 WeakPolarHBondContact OG-CB 3.35Å; S553-K555 PolarHBondContact OG-N 2.86Å; S553-K555 VanDerWaalsContact OG-N 3.16Å; S553-T556 VanDerWaalsContact CB-OG1 3.27Å; S553-T556 WeakPolarHBondContact CB-OG1 3.4Å; S553-T556 PolarHBondContact OG-N 2.83Å; S553-T556 PolarHBondContact OG-OG1 3.46Å; S553-G557 CarbonylContact O-C 3.6Å; S553-G557 VanDerWaalsContact O-CA 3.3Å; S553-G557 WeakPolarHBondContact O-CA 3.15Å; S553-G557 PolarHBondContact O-N 2.97Å; S553-D558 PolarHBondContact N-O 3.27Å; S553-D558 VanDerWaalsContact N-O 3.08Å; S553-D558 PolarHBondContact O-N 3.41Å
554	A	96.4	Very high	88.4	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.7	168.9	0	0	0	0	0	112.4	F425 R428 F434 N522	F425-A554 HydrophobicContact CB-CB 4.2Å; R428-A554 PolarHBondContact NE-O 2.88Å; F434-A554 HydrophobicContact CD2-CB 4.39Å; F434-A554 HydrophobicContact CE2-CB 4.48Å; N522-A554 PolarHBondContact OD1-N 3.48Å
555	K	96	Very high	90.1	Very high	92 Å²	92	47 Å²	47	40%	0.4	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-53.1	-178.5	-173.7	-173.9	-177	-176.3	0	111.4	R428 F434 D525 S553	R428-K555 PolarHBondContact NH2-O 2.89Å; F434-K555 HydrophobicContact CD1-CB 4.45Å; F434-K555 HydrophobicContact CD1-CG 4.06Å; F434-K555 HydrophobicContact CD2-CB 4.23Å; F434-K555 HydrophobicContact CE1-CB 4.2Å; F434-K555 HydrophobicContact CE1-CG 3.8Å; F434-K555 HydrophobicContact CE2-CB 3.95Å; F434-K555 HydrophobicContact CE2-CG 4.46Å; F434-K555 HydrophobicContact CG-CB 4.46Å; F434-K555 HydrophobicContact CZ-CB 3.94Å; F434-K555 HydrophobicContact CZ-CG 4.01Å; D525-K555 WeakPolarHBondContact OD2-CD 3.27Å; D525-K555 IonicContact OD2-NZ 3.8Å; S553-K555 PolarHBondContact O-N 2.81Å; S553-K555 WeakPolarHBondContact OG-CB 3.35Å; S553-K555 PolarHBondContact OG-N 2.86Å; S553-K555 VanDerWaalsContact OG-N 3.16Å
556	T	95.2	Very high	91.7	Very high	68 Å²	68	46.4 Å²	46.4	42%	0.417	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-24.2	-178.9	61.6	0	0	0	0	112.8	D525 S553 D558	D525-T556 HydrophobicContact CB-CG2 4.02Å; S553-T556 VanDerWaalsContact CB-OG1 3.27Å; S553-T556 WeakPolarHBondContact CB-OG1 3.4Å; S553-T556 PolarHBondContact OG-N 2.83Å; S553-T556 PolarHBondContact OG-OG1 3.46Å; T556-D558 VanDerWaalsContact CB-OD2 3.31Å; T556-D558 WeakPolarHBondContact CB-OD2 3.41Å; T556-D558 WeakPolarHBondContact OG1-CB 3.44Å; T556-D558 PolarHBondContact OG1-N 2.98Å; T556-D558 PolarHBondContact OG1-OD2 3.25Å
557	G	95.3	Very high	93.4	Very high	22 Å²	22	36.2 Å²	36.2	23%	0.227	19%	0.194	C	C	.	.			trans	90.9	-1.2	-172.1	0	0	0	0	0	113.6	S553 S559 V560	S553-G557 CarbonylContact O-C 3.6Å; S553-G557 VanDerWaalsContact O-CA 3.3Å; S553-G557 WeakPolarHBondContact O-CA 3.15Å; S553-G557 PolarHBondContact O-N 2.97Å; G557-S559 PolarHBondContact O-N 3Å; G557-V560 PolarHBondContact O-N 3.04Å
558	D	95.9	Very high	94.7	Very high	77 Å²	77	34.4 Å²	34.4	41%	0.412	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	131.2	-176.5	-66.2	-38.9	0	0	0	111.5	A552 S553 T556 V560	A552-D558 VanDerWaalsContact CA-O 3.32Å; A552-D558 WeakPolarHBondContact CA-O 3.23Å; A552-D558 WeakPolarHBondContact CB-O 3.4Å; S553-D558 PolarHBondContact N-O 3.27Å; S553-D558 VanDerWaalsContact N-O 3.08Å; S553-D558 PolarHBondContact O-N 3.41Å; T556-D558 VanDerWaalsContact CB-OD2 3.31Å; T556-D558 WeakPolarHBondContact CB-OD2 3.41Å; T556-D558 WeakPolarHBondContact OG1-CB 3.44Å; T556-D558 PolarHBondContact OG1-N 2.98Å; T556-D558 PolarHBondContact OG1-OD2 3.25Å; D558-V560 PolarHBondContact O-N 3Å
559	S	94.9	Very high	95.1	Very high	55 Å²	55	34.4 Å²	34.4	39%	0.385	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	0.7	-178.2	-52.7	0	0	0	0	116.4	E551 G557 A563	E551-S559 WeakPolarHBondContact O-CB 3.48Å; E551-S559 PolarHBondContact O-OG 3.21Å; E551-S559 VanDerWaalsContact O-OG 3.07Å; G557-S559 PolarHBondContact O-N 3Å; S559-A563 VanDerWaalsContact O-CB 3.25Å; S559-A563 WeakPolarHBondContact O-CB 3.39Å; S559-A563 PolarHBondContact O-N 3.36Å
560	V	96.9	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-51.9	-177.9	177.7	0	0	0	0	111.2	F425 R428 F429 A552 G557 D558 M564	F425-V560 HydrophobicContact CD1-CG1 4.42Å; F425-V560 HydrophobicContact CD2-CG1 4.16Å; F425-V560 HydrophobicContact CD2-CG2 3.88Å; F425-V560 HydrophobicContact CE1-CG1 4.13Å; F425-V560 HydrophobicContact CE2-CB 4.03Å; F425-V560 HydrophobicContact CE2-CG1 3.86Å; F425-V560 HydrophobicContact CE2-CG2 3.7Å; F425-V560 HydrophobicContact CG-CG1 4.43Å; F425-V560 HydrophobicContact CZ-CB 4.3Å; F425-V560 HydrophobicContact CZ-CG1 3.83Å; F425-V560 HydrophobicContact CZ-CG2 4.46Å; R428-V560 HydrophobicContact CB-CG1 4.41Å; R428-V560 HydrophobicContact CG-CB 4.19Å; R428-V560 HydrophobicContact CG-CG1 3.98Å; R428-V560 HydrophobicContact CG-CG2 3.96Å; F429-V560 HydrophobicContact CB-CG1 3.84Å; A552-V560 HydrophobicContact CB-CG2 4.45Å; G557-V560 PolarHBondContact O-N 3.04Å; D558-V560 PolarHBondContact O-N 3Å; V560-M564 WeakPolarHBondContact O-CG 3.39Å; V560-M564 PolarHBondContact O-N 3.3Å
561	Q	95	Very high	95	Very high	60 Å²	60	33.6 Å²	33.6	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-66.9	-40.3	179.5	-66	-63.3	-29.7	0	0	111.8	F429 M564 Y565	F429-Q561 PolarHBondContact O-NE2 3.43Å; F429-Q561 VanDerWaalsContact O-NE2 3.11Å; Q561-M564 PolarHBondContact O-N 3.38Å; Q561-Y565 VanDerWaalsContact O-CB 3.29Å; Q561-Y565 WeakPolarHBondContact O-CB 3.25Å; Q561-Y565 PolarHBondContact O-N 2.86Å
562	E	94.7	Very high	94.8	Very high	66 Å²	66	32.4 Å²	32.4	31%	0.308	17%	0.17	S	C	.	.	H	α-helix	trans	-62.1	-48.1	178.8	-174.8	61	-148.2	0	0	111.3	F550 M564 Y565 Q566	F550-E562 HydrophobicContact CE1-CG 4.36Å; E562-M564 VanDerWaalsContact C-N 3.32Å; E562-M564 PolarHBondContact O-N 3.47Å; E562-Y565 PolarHBondContact O-N 2.86Å; E562-Q566 VanDerWaalsContact O-CG 3.29Å; E562-Q566 WeakPolarHBondContact O-CG 3.35Å; E562-Q566 PolarHBondContact O-N 2.66Å; E562-Q566 WeakPolarHBondContact OE1-CG 3.43Å; E562-Q566 PolarHBondContact OE1-NE2 3.42Å
563	A	95.5	Very high	94.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-43.9	179	0	0	0	0	0	112	F425 I520 F550 S559 L567	F425-A563 HydrophobicContact CZ-CB 4.45Å; I520-A563 HydrophobicContact CD1-CB 4.28Å; F550-A563 HydrophobicContact CB-CB 4Å; F550-A563 HydrophobicContact CD1-CB 3.97Å; F550-A563 HydrophobicContact CD2-CB 3.6Å; F550-A563 HydrophobicContact CE1-CB 4.38Å; F550-A563 HydrophobicContact CE2-CB 4.02Å; F550-A563 HydrophobicContact CG-CB 3.58Å; F550-A563 HydrophobicContact CZ-CB 4.41Å; S559-A563 VanDerWaalsContact O-CB 3.25Å; S559-A563 WeakPolarHBondContact O-CB 3.39Å; S559-A563 PolarHBondContact O-N 3.36Å; A563-L567 WeakPolarHBondContact O-CB 3.24Å; A563-L567 PolarHBondContact O-N 3.02Å
564	M	96.2	Very high	93.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.3	-36.7	179.6	-66.9	-56.7	-63.8	0	0	112.8	F425 F429 L460 L462 I486 V560 Q561 E562 L567 A568	F425-M564 HydrophobicContact CE1-CG 3.99Å; F425-M564 HydrophobicContact CE1-SD 3.84Å; F425-M564 HydrophobicContact CZ-CG 4.32Å; F425-M564 HydrophobicContact CZ-SD 4.47Å; F429-M564 HydrophobicContact CB-CG 4.41Å; F429-M564 HydrophobicContact CD1-CE 4.03Å; F429-M564 HydrophobicContact CD1-CG 4.13Å; F429-M564 HydrophobicContact CD2-CB 3.63Å; F429-M564 HydrophobicContact CD2-CG 3.58Å; F429-M564 HydrophobicContact CE1-CB 4.34Å; F429-M564 HydrophobicContact CE1-CE 3.81Å; F429-M564 HydrophobicContact CE1-CG 4.31Å; F429-M564 HydrophobicContact CE2-CB 3.35Å; F429-M564 HydrophobicContact CE2-CG 3.81Å; F429-M564 HydrophobicContact CG-CB 4.27Å; F429-M564 HydrophobicContact CG-CG 3.77Å; F429-M564 HydrophobicContact CZ-CB 3.75Å; F429-M564 HydrophobicContact CZ-CE 4.22Å; F429-M564 HydrophobicContact CZ-CG 4.18Å; L460-M564 HydrophobicContact CD1-CE 3.75Å; L462-M564 HydrophobicContact CD2-CE 3.54Å; I486-M564 HydrophobicContact CD1-CE 4.17Å; I486-M564 HydrophobicContact CD1-SD 3.56Å; I486-M564 VanDerWaalsContact CD1-SD 3.56Å; V560-M564 WeakPolarHBondContact O-CG 3.39Å; V560-M564 PolarHBondContact O-N 3.3Å; Q561-M564 PolarHBondContact O-N 3.38Å; E562-M564 VanDerWaalsContact C-N 3.32Å; E562-M564 PolarHBondContact O-N 3.47Å; M564-L567 HydrophobicContact CE-CD2 4.47Å; M564-L567 PolarHBondContact O-N 3.46Å; M564-L567 HydrophobicContact SD-CD2 4.49Å; M564-A568 WeakPolarHBondContact O-CB 3.34Å; M564-A568 PolarHBondContact O-N 3.38Å
565	Y	95	Very high	93	Very high	60 Å²	60	37.4 Å²	37.4	24%	0.235	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-46	175	-175.7	-89.9	0	0	0	111.5	V453 Q561 E562 L567 A568 L569	V453-Y565 HydrophobicContact CB-CE2 4.45Å; V453-Y565 HydrophobicContact CG1-CE2 4.34Å; V453-Y565 HydrophobicContact CG2-CD2 4.42Å; V453-Y565 HydrophobicContact CG2-CE2 4.19Å; Q561-Y565 VanDerWaalsContact O-CB 3.29Å; Q561-Y565 WeakPolarHBondContact O-CB 3.25Å; Q561-Y565 PolarHBondContact O-N 2.86Å; E562-Y565 PolarHBondContact O-N 2.86Å; Y565-L567 VanDerWaalsContact C-N 3.34Å; Y565-L567 PolarHBondContact O-N 3.27Å; Y565-A568 PolarHBondContact O-N 3.14Å; Y565-L569 PolarHBondContact O-N 2.89Å
566	Q	93.8	Very high	91.9	Very high	58 Å²	58	36 Å²	36	27%	0.271	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-39.1	176.9	-66.8	-62.8	-23.4	0	0	112	L548 F550 E562 L569 L570	L548-Q566 HydrophobicContact CD1-CB 4.46Å; F550-Q566 HydrophobicContact CE2-CB 4.33Å; F550-Q566 HydrophobicContact CZ-CB 3.8Å; F550-Q566 HydrophobicContact CZ-CG 3.88Å; E562-Q566 VanDerWaalsContact O-CG 3.29Å; E562-Q566 WeakPolarHBondContact O-CG 3.35Å; E562-Q566 PolarHBondContact O-N 2.66Å; E562-Q566 WeakPolarHBondContact OE1-CG 3.43Å; E562-Q566 PolarHBondContact OE1-NE2 3.42Å; Q566-L569 PolarHBondContact O-N 3.43Å; Q566-L570 PolarHBondContact O-N 3.15Å
567	L	94.3	Very high	90.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-45.5	173.3	-178	63.6	0	0	0	111.8	V412 A484 I486 I516 C518 L548 A563 M564 Y565 L569 L570 L571	V412-L567 HydrophobicContact CG1-CD2 3.89Å; V412-L567 HydrophobicContact CG2-CD2 4.45Å; A484-L567 HydrophobicContact CB-CD1 3.84Å; A484-L567 HydrophobicContact CB-CD2 4.32Å; A484-L567 HydrophobicContact CB-CG 4.39Å; I486-L567 HydrophobicContact CD1-CD2 3.79Å; I486-L567 HydrophobicContact CG1-CD2 3.89Å; I516-L567 HydrophobicContact CB-CD1 4.46Å; I516-L567 HydrophobicContact CG2-CD1 3.71Å; C518-L567 HydrophobicContact CB-CD1 4.16Å; L548-L567 HydrophobicContact CD1-CB 4.29Å; L548-L567 HydrophobicContact CD1-CD1 4.24Å; A563-L567 WeakPolarHBondContact O-CB 3.24Å; A563-L567 PolarHBondContact O-N 3.02Å; M564-L567 HydrophobicContact CE-CD2 4.47Å; M564-L567 PolarHBondContact O-N 3.46Å; M564-L567 HydrophobicContact SD-CD2 4.49Å; Y565-L567 VanDerWaalsContact C-N 3.34Å; Y565-L567 PolarHBondContact O-N 3.27Å; L567-L569 VanDerWaalsContact C-N 3.32Å; L567-L569 PolarHBondContact O-N 2.99Å; L567-L570 PolarHBondContact O-N 2.8Å; L567-L571 HydrophobicContact CG-CD1 4.11Å; L567-L571 WeakPolarHBondContact O-CG 3.25Å; L567-L571 PolarHBondContact O-N 3.39Å
568	A	94.5	Very high	89.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-36.9	178.1	0	0	0	0	0	112.4	L451 V453 I458 L460 M564 Y565 L571 K572	L451-A568 HydrophobicContact CD1-CB 4.18Å; V453-A568 HydrophobicContact CG2-CB 3.79Å; I458-A568 HydrophobicContact CG2-CB 4.45Å; L460-A568 HydrophobicContact CD1-CB 4.32Å; L460-A568 HydrophobicContact CD2-CB 4.37Å; M564-A568 WeakPolarHBondContact O-CB 3.34Å; M564-A568 PolarHBondContact O-N 3.38Å; Y565-A568 PolarHBondContact O-N 3.14Å; A568-L571 PolarHBondContact O-N 3Å; A568-K572 WeakPolarHBondContact O-CB 3.37Å; A568-K572 PolarHBondContact O-N 3.22Å
569	L	93.3	Very high	87.6	Confident	32 Å²	32	39.9 Å²	39.9	17%	0.168	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-47.8	174.6	-174.4	64.8	0	0	0	111.5	V453 E454 Y565 Q566 L567 L571 K572 D573	V453-L569 HydrophobicContact CG1-CB 4.19Å; V453-L569 HydrophobicContact CG1-CD1 3.8Å; E454-L569 HydrophobicContact CG-CD1 4.43Å; Y565-L569 PolarHBondContact O-N 2.89Å; Q566-L569 PolarHBondContact O-N 3.43Å; L567-L569 VanDerWaalsContact C-N 3.32Å; L567-L569 PolarHBondContact O-N 2.99Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.27Å; L569-K572 WeakPolarHBondContact O-CB 3.5Å; L569-K572 PolarHBondContact O-N 2.75Å; L569-D573 PolarHBondContact O-N 2.9Å
570	L	91.7	Very high	85.6	Confident	58 Å²	58	42.9 Å²	42.9	30%	0.304	21%	0.21	S	C	.	.	H	α-helix	trans	-63.6	-39	176.8	-70.4	-172.1	0	0	0	112.8	I516 L548 Q566 L567 K572 D573 A574	I516-L570 HydrophobicContact CD1-CB 3.75Å; I516-L570 HydrophobicContact CG2-CD1 4.35Å; L548-L570 HydrophobicContact CD1-CD1 3.46Å; L548-L570 VanDerWaalsContact CD1-CD1 3.46Å; L548-L570 HydrophobicContact CD1-CG 4.27Å; L548-L570 HydrophobicContact CD2-CD1 3.86Å; L548-L570 HydrophobicContact CG-CD1 3.54Å; Q566-L570 PolarHBondContact O-N 3.15Å; L567-L570 PolarHBondContact O-N 2.8Å; L570-K572 VanDerWaalsContact C-N 3.35Å; L570-D573 PolarHBondContact O-N 3.11Å; L570-A574 VanDerWaalsContact O-CB 3.27Å; L570-A574 WeakPolarHBondContact O-CB 3.3Å; L570-A574 PolarHBondContact O-N 3.22Å
571	L	92.1	Very high	83.4	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-43.6	176.4	-80	165.3	0	0	0	111.7	F410 V412 L460 D483 A484 I516 L567 A568 L569 N575	F410-L571 HydrophobicContact CB-CD1 3.92Å; F410-L571 HydrophobicContact CB-CD2 4.32Å; F410-L571 HydrophobicContact CD1-CB 4.41Å; F410-L571 HydrophobicContact CD1-CD2 4.2Å; F410-L571 HydrophobicContact CD2-CB 3.7Å; F410-L571 HydrophobicContact CD2-CD1 4.15Å; F410-L571 HydrophobicContact CD2-CG 4.4Å; F410-L571 HydrophobicContact CE1-CB 4.47Å; F410-L571 HydrophobicContact CE2-CB 3.76Å; F410-L571 HydrophobicContact CG-CB 4.04Å; F410-L571 HydrophobicContact CG-CD1 4.11Å; F410-L571 HydrophobicContact CG-CD2 4.15Å; F410-L571 HydrophobicContact CG-CG 4.36Å; F410-L571 HydrophobicContact CZ-CB 4.15Å; V412-L571 HydrophobicContact CG2-CD1 4.08Å; L460-L571 HydrophobicContact CD2-CD1 4.04Å; D483-L571 HydrophobicContact CB-CD2 3.51Å; A484-L571 HydrophobicContact CB-CD1 4.19Å; A484-L571 HydrophobicContact CB-CD2 4.1Å; A484-L571 HydrophobicContact CB-CG 4.43Å; I516-L571 HydrophobicContact CD1-CB 4.48Å; I516-L571 HydrophobicContact CD1-CD2 3.92Å; I516-L571 HydrophobicContact CD1-CG 3.95Å; L567-L571 HydrophobicContact CG-CD1 4.11Å; L567-L571 WeakPolarHBondContact O-CG 3.25Å; L567-L571 PolarHBondContact O-N 3.39Å; A568-L571 PolarHBondContact O-N 3Å; L569-L571 VanDerWaalsContact C-N 3.34Å; L569-L571 PolarHBondContact O-N 3.27Å; L571-N575 WeakPolarHBondContact O-CB 3.44Å; L571-N575 PolarHBondContact O-N 3.01Å; L571-N575 VanDerWaalsContact O-N 3.1Å
572	K	90.3	Very high	81.2	Confident	23 Å²	23	51.3 Å²	51.3	10%	0.1	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-51.9	173.2	177.1	-172.6	168.8	179.5	0	110.8	V453 E454 A568 L569 L570 N575 V576	V453-K572 HydrophobicContact CG1-CD 4.46Å; E454-K572 IonicContact OE2-NZ 2.84Å; E454-K572 PolarHBondContact OE2-NZ 3.46Å; A568-K572 WeakPolarHBondContact O-CB 3.37Å; A568-K572 PolarHBondContact O-N 3.22Å; L569-K572 WeakPolarHBondContact O-CB 3.5Å; L569-K572 PolarHBondContact O-N 2.75Å; L570-K572 VanDerWaalsContact C-N 3.35Å; K572-N575 PolarHBondContact O-N 2.88Å; K572-N575 VanDerWaalsContact O-N 3.13Å; K572-V576 WeakPolarHBondContact O-CG2 3.46Å; K572-V576 PolarHBondContact O-N 3.26Å
573	D	87.9	Confident	78.8	Confident	66 Å²	66	54.5 Å²	54.5	35%	0.353	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-39.6	-176.7	-71.5	-11	0	0	0	113.3	L569 L570 N575 R577	L569-D573 PolarHBondContact O-N 2.9Å; L570-D573 PolarHBondContact O-N 3.11Å; D573-N575 PolarHBondContact O-N 3.3Å; D573-R577 WeakPolarHBondContact O-CG 3.49Å; D573-R577 PolarHBondContact O-N 2.92Å; D573-R577 PolarHBondContact O-NE 3.47Å; D573-R577 VanDerWaalsContact O-NE 3.16Å
574	A	85.1	Confident	76.1	Confident	19 Å²	19	64.2 Å²	64.2	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-36.1	174	0	0	0	0	0	110.7	I516 L570 R577 N578	I516-A574 HydrophobicContact CD1-CB 4.13Å; L570-A574 VanDerWaalsContact O-CB 3.27Å; L570-A574 WeakPolarHBondContact O-CB 3.3Å; L570-A574 PolarHBondContact O-N 3.22Å; A574-R577 PolarHBondContact O-N 3.47Å; A574-N578 PolarHBondContact O-N 3.26Å
575	N	79.4	Confident	73.3	Confident	23 Å²	23	71.9 Å²	71.9	12%	0.123	35%	0.353	C	S	.	.	H	α-helix	trans	-77.5	-35.9	-179	-143.5	-44.5	0	0	0	114.7	R408 F410 L571 K572 D573 R577 N578 T579	R408-N575 PolarHBondContact NE-ND2 3.44Å; R408-N575 VanDerWaalsContact NE-ND2 3.14Å; R408-N575 PolarHBondContact NH1-OD1 3.08Å; R408-N575 PolarHBondContact NH2-ND2 3.18Å; R408-N575 PolarHBondContact NH2-OD1 2.76Å; F410-N575 HydrophobicContact CE1-CB 4.16Å; F410-N575 WeakPolarHBondContact CE1-ND2 3.32Å; F410-N575 HydrophobicContact CZ-CB 4.08Å; L571-N575 WeakPolarHBondContact O-CB 3.44Å; L571-N575 PolarHBondContact O-N 3.01Å; L571-N575 VanDerWaalsContact O-N 3.1Å; K572-N575 PolarHBondContact O-N 2.88Å; K572-N575 VanDerWaalsContact O-N 3.13Å; D573-N575 PolarHBondContact O-N 3.3Å; N575-R577 VanDerWaalsContact C-N 3.26Å; N575-R577 PolarHBondContact O-N 3.38Å; N575-N578 PolarHBondContact O-N 3.01Å; N575-T579 WeakPolarHBondContact O-CB 3.49Å; N575-T579 PolarHBondContact O-N 3.27Å; N575-T579 PolarHBondContact O-OG1 3.03Å; N575-T579 PolarHBondContact OD1-OG1 3.01Å
576	V	74.1	Confident	70.5	Confident	63 Å²	63	77.5 Å²	77.5	38%	0.382	38%	0.381	S	S	.	.	H	α-helix	trans	-56.2	-47.4	170.4	174.6	0	0	0	0	109.6	K572 N578 T579 E580	K572-V576 WeakPolarHBondContact O-CG2 3.46Å; K572-V576 PolarHBondContact O-N 3.26Å; V576-N578 PolarHBondContact O-N 3.14Å; V576-T579 PolarHBondContact O-N 2.8Å; V576-T579 VanDerWaalsContact O-N 3.16Å; V576-E580 HydrophobicContact CG1-CG 4.38Å; V576-E580 WeakPolarHBondContact O-CG 3.26Å; V576-E580 PolarHBondContact O-N 3.01Å
577	R	70.2	Confident	67.8	Low	141 Å²	141	82.9 Å²	82.9	53%	0.532	41%	0.406	S	S	.	.	H	α-helix	trans	-59	-44.6	177.1	-72.4	180	-82	170.8	-6.5	113.4	D573 A574 N575 T579 E580 N581	D573-R577 WeakPolarHBondContact O-CG 3.49Å; D573-R577 PolarHBondContact O-N 2.92Å; D573-R577 PolarHBondContact O-NE 3.47Å; D573-R577 VanDerWaalsContact O-NE 3.16Å; A574-R577 PolarHBondContact O-N 3.47Å; N575-R577 VanDerWaalsContact C-N 3.26Å; N575-R577 PolarHBondContact O-N 3.38Å; R577-T579 VanDerWaalsContact C-N 3.32Å; R577-T579 PolarHBondContact O-N 3.5Å; R577-E580 PolarHBondContact O-N 2.68Å; R577-N581 WeakPolarHBondContact O-CB 3.3Å; R577-N581 VanDerWaalsContact O-CG 3.27Å; R577-N581 PolarHBondContact O-N 3.21Å; R577-N581 PolarHBondContact O-ND2 3.24Å
578	N	65.1	Low	65	Low	50 Å²	50	89 Å²	89	27%	0.267	45%	0.446	S	S	.	.	H	α-helix	trans	-67.8	-33.4	177.6	-74.8	-18.9	0	0	0	112.7	N514 A574 N575 V576 N582	N514-N578 PolarHBondContact ND2-ND2 2.88Å; N514-N578 PolarHBondContact ND2-OD1 3.49Å; A574-N578 PolarHBondContact O-N 3.26Å; N575-N578 PolarHBondContact O-N 3.01Å; V576-N578 PolarHBondContact O-N 3.14Å; N578-N582 WeakPolarHBondContact O-CB 2.98Å; N578-N582 VanDerWaalsContact O-CG 3.25Å; N578-N582 PolarHBondContact O-N 3.18Å; N578-N582 VanDerWaalsContact O-N 3.14Å; N578-N582 PolarHBondContact O-ND2 2.93Å
579	T	59	Low	62.6	Low	57 Å²	57	94.9 Å²	94.9	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-71.4	-41.2	177	-51.4	0	0	0	0	110.8	N575 V576 R577 N582 L583	N575-T579 WeakPolarHBondContact O-CB 3.49Å; N575-T579 PolarHBondContact O-N 3.27Å; N575-T579 PolarHBondContact O-OG1 3.03Å; N575-T579 PolarHBondContact OD1-OG1 3.01Å; V576-T579 PolarHBondContact O-N 2.8Å; V576-T579 VanDerWaalsContact O-N 3.16Å; R577-T579 VanDerWaalsContact C-N 3.32Å; R577-T579 PolarHBondContact O-N 3.5Å; T579-N582 PolarHBondContact O-N 2.92Å; T579-L583 HydrophobicContact CG2-CD1 4.08Å; T579-L583 WeakPolarHBondContact O-CD1 3.26Å; T579-L583 WeakPolarHBondContact O-CG 3.46Å; T579-L583 PolarHBondContact O-N 3.5Å; T579-L583 VanDerWaalsContact O-N 3.1Å
580	E	52.6	Low	60.1	Low	118 Å²	118	102 Å²	102	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-66.9	-39.7	176.1	-72.5	-179.2	168.5	0	0	112.9	V576 R577 N582 L583 R584	V576-E580 HydrophobicContact CG1-CG 4.38Å; V576-E580 WeakPolarHBondContact O-CG 3.26Å; V576-E580 PolarHBondContact O-N 3.01Å; R577-E580 PolarHBondContact O-N 2.68Å; E580-N582 VanDerWaalsContact C-N 3.34Å; E580-L583 PolarHBondContact O-N 3.33Å; E580-R584 PolarHBondContact O-N 2.69Å
581	N	51.7	Low	57.6	Low	102 Å²	102	105.2 Å²	105.2	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-66	-37	175.5	-74.2	-23.5	0	0	0	112	R577 L583 R584	R577-N581 WeakPolarHBondContact O-CB 3.3Å; R577-N581 VanDerWaalsContact O-CG 3.27Å; R577-N581 PolarHBondContact O-N 3.21Å; R577-N581 PolarHBondContact O-ND2 3.24Å; N581-L583 VanDerWaalsContact C-N 3.32Å; N581-L583 PolarHBondContact O-N 3.15Å; N581-R584 PolarHBondContact O-N 3Å
582	N	49.1	Very low	55.2	Low	135 Å²	135	114.6 Å²	114.6	72%	0.722	58%	0.576	S	S	*	*	H	α-helix	trans	-75.3	-19	176.6	-73.4	-23.8	0	0	0	113.6	N578 T579 E580	N578-N582 WeakPolarHBondContact O-CB 2.98Å; N578-N582 VanDerWaalsContact O-CG 3.25Å; N578-N582 PolarHBondContact O-N 3.18Å; N578-N582 VanDerWaalsContact O-N 3.14Å; N578-N582 PolarHBondContact O-ND2 2.93Å; T579-N582 PolarHBondContact O-N 2.92Å; E580-N582 VanDerWaalsContact C-N 3.34Å
583	L	44.4	Very low	52.7	Low	134 Å²	134	125.5 Å²	125.5	70%	0.702	62%	0.617	S	S	*	*	H	α-helix	trans	-84.6	-13.8	174.8	-79.5	160.7	0	0	0	113.3	T579 E580 N581 L585	T579-L583 HydrophobicContact CG2-CD1 4.08Å; T579-L583 WeakPolarHBondContact O-CD1 3.26Å; T579-L583 WeakPolarHBondContact O-CG 3.46Å; T579-L583 PolarHBondContact O-N 3.5Å; T579-L583 VanDerWaalsContact O-N 3.1Å; E580-L583 PolarHBondContact O-N 3.33Å; N581-L583 VanDerWaalsContact C-N 3.32Å; N581-L583 PolarHBondContact O-N 3.15Å; L583-L585 VanDerWaalsContact C-N 3.31Å; L583-L585 PolarHBondContact O-N 3.36Å; L583-L585 VanDerWaalsContact O-N 3.1Å
584	R	38.8	Very low	50.8	Low	204 Å²	204	127.8 Å²	127.8	77%	0.77	64%	0.637	S	S	*	*	S	Bend	trans	-80.8	81.9	164.9	-74.3	-177.1	174.7	177.8	0.7	108.9	E580 N581 E586	E580-R584 PolarHBondContact O-N 2.69Å; N581-R584 PolarHBondContact O-N 3Å; R584-E586 PolarHBondContact O-N 3.37Å
585	L	36.4	Very low	48.6	Very low	162 Å²	162	136.4 Å²	136.4	85%	0.848	67%	0.671	S	S	*	*			trans	-54.2	104.3	167.8	-75.3	163.4	0	0	0	108.9	L583 E587	L583-L585 VanDerWaalsContact C-N 3.31Å; L583-L585 PolarHBondContact O-N 3.36Å; L583-L585 VanDerWaalsContact O-N 3.1Å; L585-E587 PolarHBondContact O-N 3.05Å
586	E	37	Very low	46.6	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	71%	0.709	S	S	*	*			trans	-57.5	127.8	165.2	-68.7	-158.8	155	0	0	108.4	R584	R584-E586 PolarHBondContact O-N 3.37Å
587	E	36.6	Very low	45.3	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	72%	0.724	S	S	*	*			trans	-51	144.4	173.9	-69.8	-173.9	164.4	0	0	110.2	L585 V589	L585-E587 PolarHBondContact O-N 3.05Å; E587-V589 PolarHBondContact O-N 3.49Å
588	P	35.4	Very low	43.6	Very low	129 Å²	129	140.7 Å²	140.7	84%	0.838	74%	0.737	S	S	*	*			trans	-64	100.9	-169.3	26.7	-33.6	0	0	0	110.6	K590	P588-K590 PolarHBondContact O-N 3.44Å
589	V	44.1	Very low	42.5	Very low	124 Å²	124	148 Å²	148	75%	0.752	77%	0.767	S	S	*	*			trans	-68.9	114.7	169.7	-178.8	0	0	0	0	107.3	E587	E587-V589 PolarHBondContact O-N 3.49Å
590	K	41.4	Very low	41.5	Very low	182 Å²	182	150.6 Å²	150.6	79%	0.791	79%	0.787	S	S	*	*			trans	-46.1	136.7	179.4	-67.7	176.7	179.5	175.1	0	111.2	P588 K592	P588-K590 PolarHBondContact O-N 3.44Å; K590-K592 PolarHBondContact O-N 3.37Å
591	P	38.2	Very low	41	Very low	124 Å²	124	149.7 Å²	149.7	81%	0.805	79%	0.794	S	S	*	*			trans	-66.4	115.2	-175.3	26.7	-32.2	0	0	0	109.9	R593	P591-R593 PolarHBondContact O-N 2.95Å
592	K	42.1	Very low	40.6	Very low	203 Å²	203	152.7 Å²	152.7	88%	0.883	81%	0.81	S	S	*	*			trans	-67.7	110.6	166.6	-81.4	-177.8	178.5	173.6	0	108	K590 S594	K590-K592 PolarHBondContact O-N 3.37Å; K592-S594 PolarHBondContact O-N 3.26Å; K592-S594 VanDerWaalsContact O-N 3.11Å
593	R	37.4	Very low	40.5	Very low	252 Å²	252	153.4 Å²	153.4	95%	0.951	81%	0.814	S	S	*	*			trans	-53.7	111.2	168.4	-65.4	179.1	174.2	-172.1	-3	109.2	P591	P591-R593 PolarHBondContact O-N 2.95Å
594	S	48.2	Very low	40.6	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	81%	0.814	S	S	*	*			trans	-114.3	125.6	161.5	60.2	0	0	0	0	109	K592 C596	K592-S594 PolarHBondContact O-N 3.26Å; K592-S594 VanDerWaalsContact O-N 3.11Å; S594-C596 PolarHBondContact O-N 3.37Å
595	K	38.6	Very low	40.9	Very low	200 Å²	200	156.1 Å²	156.1	87%	0.87	84%	0.835	S	S	*	*			trans	-64.3	121.9	-177.5	-85.9	168	165.5	170.8	0	110.2
596	C	37.5	Very low	41.1	Very low	134 Å²	134	155.8 Å²	155.8	91%	0.905	83%	0.834	S	S	*	*			trans	-96.3	103.6	155.3	-133.2	0	0	0	0	107.3	S594	S594-C596 PolarHBondContact O-N 3.37Å
597	C	46.6	Very low	41.3	Very low	105 Å²	105	154.7 Å²	154.7	71%	0.709	84%	0.835	S	S	*	*			trans	-104.7	109.2	168	-86.1	0	0	0	0	107.7
598	G	35.5	Very low	41.6	Very low	78 Å²	78	153.8 Å²	153.8	80%	0.804	84%	0.837	S	S	*	*			trans	-58.8	135.2	161.4	0	0	0	0	0	110
599	K	40.8	Very low	42	Very low	205 Å²	205	155.2 Å²	155.2	89%	0.891	84%	0.836	S	S	*	*			trans	-118	99.5	163.8	-78.3	-174.6	176.7	179.4	0	107.2
600	S	40.1	Very low	41.8	Very low	111 Å²	111	157.2 Å²	157.2	78%	0.776	84%	0.842	S	S	*	*			trans	-86.7	138.3	152.1	-86.6	0	0	0	0	108.9
601	S	40.4	Very low	41.9	Very low	98 Å²	98	155.5 Å²	155.5	69%	0.685	85%	0.845	S	S	*	*			trans	55.2	113.3	146.2	56.9	0	0	0	0	119.4
602	N	44.5	Very low	42.1	Very low	165 Å²	165	157.8 Å²	157.8	88%	0.882	85%	0.848	S	S	*	*				-170	124.9	105.4	-89.7	-15.8	0	0	0	110.9
603	N	46.1	Very low	42.1	Very low	151 Å²	151	154.3 Å²	154.3	81%	0.807	85%	0.845	S	S	*	*			trans	-99.6	134.1	174.7	-149.8	11	0	0	0	108.5
604	T	47.2	Very low	42.5	Very low	114 Å²	114	146.2 Å²	146.2	70%	0.699	84%	0.837	S	S	*	*			trans	43.3	113.4	146.2	17.1	0	0	0	0	121
605	K	44.7	Very low	42	Very low	280 Å²	280	149.2 Å²	149.2	100%	1.217	84%	0.841	S	S	*	*				-112.6	0	116.5	-99.7	-173.1	179.6	178.3	0	108.4

Retrieved 605 of 605 residues in 1140.7 ms (Link to these results)

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