A0A077Z1J8_TRITR Loading...

Epoxide hydrolase

AlphaFold DB , UniProt , Accession A0A077Z1J8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 454 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	50.9	Low	56	Low	217 Å²	217	129.7 Å²	129.7	100%	1.069	66%	0.655	S	S	*	*				0	-4.2	0	-73.4	175.4	72.6	0	0	116
2	K	50.2	Low	57.1	Low	195 Å²	195	126.2 Å²	126.2	85%	0.848	64%	0.638	S	S	*	*			trans	-76.2	-33.4	174	-74.5	-176.6	177.1	179.8	0	116.7	L4	K2-L4 PolarHBondContact O-N 2.91Å
3	P	57.5	Low	57.7	Low	109 Å²	109	120.8 Å²	120.8	71%	0.708	62%	0.619	S	S	*	*	H	α-helix	trans	-75.1	-21.8	-175	26.4	-31.8	0	0	0	114.3	K5 F7	P3-K5 VanDerWaalsContact C-N 3.34Å; P3-K5 PolarHBondContact O-N 3.3Å; P3-F7 PolarHBondContact O-N 2.79Å
4	L	48.6	Very low	58.4	Low	121 Å²	121	119.3 Å²	119.3	63%	0.634	61%	0.611	S	S	*	*	H	α-helix	trans	-70.2	-28.8	179.8	-133.4	81.5	0	0	0	113.1	K2 F8	K2-L4 PolarHBondContact O-N 2.91Å; L4-F8 PolarHBondContact O-N 2.66Å
5	K	46.8	Very low	59	Low	158 Å²	158	118.5 Å²	118.5	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-70.6	-38.7	178.7	-74.5	-172.7	174.4	-173.5	0	112.3	P3 L9	P3-K5 VanDerWaalsContact C-N 3.34Å; P3-K5 PolarHBondContact O-N 3.3Å; K5-L9 PolarHBondContact O-N 2.9Å; K5-L9 VanDerWaalsContact O-N 3.09Å
6	G	53.7	Low	59.7	Low	45 Å²	45	116.2 Å²	116.2	46%	0.464	60%	0.596	S	S	.	*	H	α-helix	trans	-65.8	-39.3	176.7	0	0	0	0	0	112.3	L9 L10	G6-L9 PolarHBondContact O-N 3.24Å; G6-L10 WeakPolarHBondContact O-CB 3.16Å; G6-L10 PolarHBondContact O-N 3.15Å
7	F	60.4	Low	60.4	Low	129 Å²	129	117.6 Å²	117.6	57%	0.566	60%	0.597	S	S	*	*	H	α-helix	trans	-65.5	-43.2	176.9	-174.8	-98.9	0	0	0	112.7	P3 L10 M11	P3-F7 PolarHBondContact O-N 2.79Å; F7-L10 PolarHBondContact O-N 3.37Å; F7-M11 HydrophobicContact CD1-CG 4.33Å; F7-M11 HydrophobicContact CE1-CG 3.96Å; F7-M11 HydrophobicContact CZ-CG 4.2Å; F7-M11 WeakPolarHBondContact O-CB 3.44Å; F7-M11 WeakPolarHBondContact O-CG 3.46Å; F7-M11 PolarHBondContact O-N 2.75Å
8	F	55.9	Low	60.8	Low	129 Å²	129	117.7 Å²	117.7	57%	0.566	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-41.3	176	-103.1	-86.7	0	0	0	112.8	L4 L10 M11 I12	L4-F8 PolarHBondContact O-N 2.66Å; F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 3.39Å; F8-M11 PolarHBondContact O-N 3.44Å; F8-I12 VanDerWaalsContact O-CG1 3.27Å; F8-I12 WeakPolarHBondContact O-CG1 3.34Å; F8-I12 PolarHBondContact O-N 2.68Å
9	L	63	Low	60.9	Low	120 Å²	120	114.6 Å²	114.6	63%	0.628	58%	0.578	S	S	*	*	H	α-helix	trans	-64.1	-38.1	175.6	-84.4	157.5	0	0	0	112	K5 G6 I12 S13	K5-L9 PolarHBondContact O-N 2.9Å; K5-L9 VanDerWaalsContact O-N 3.09Å; G6-L9 PolarHBondContact O-N 3.24Å; L9-I12 PolarHBondContact O-N 2.68Å; L9-S13 WeakPolarHBondContact O-CB 3.47Å; L9-S13 PolarHBondContact O-N 3.14Å; L9-S13 PolarHBondContact O-OG 2.57Å
10	L	65.1	Low	61.2	Low	98 Å²	98	110.5 Å²	110.5	51%	0.513	56%	0.562	S	S	.	*	H	α-helix	trans	-68.2	-41.6	175.7	-175.1	66.4	0	0	0	112.2	G6 F7 F8 S13 I14	G6-L10 WeakPolarHBondContact O-CB 3.16Å; G6-L10 PolarHBondContact O-N 3.15Å; F7-L10 PolarHBondContact O-N 3.37Å; F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 3.39Å; L10-S13 WeakPolarHBondContact CA-OG 3.4Å; L10-S13 PolarHBondContact O-N 3.06Å; L10-S13 PolarHBondContact O-OG 2.81Å; L10-I14 HydrophobicContact CD1-CD1 4.21Å; L10-I14 HydrophobicContact CD1-CG1 4.44Å; L10-I14 HydrophobicContact CG-CD1 3.91Å; L10-I14 WeakPolarHBondContact O-CB 3.3Å; L10-I14 VanDerWaalsContact O-CG1 3.23Å; L10-I14 WeakPolarHBondContact O-CG1 3.25Å; L10-I14 PolarHBondContact O-N 3.34Å
11	M	63.8	Low	61.4	Low	106 Å²	106	109.1 Å²	109.1	52%	0.522	56%	0.556	S	S	.	*	H	α-helix	trans	-59.8	-45	173.5	-86	-76.6	-50	0	0	111.7	F7 F8 L15	F7-M11 HydrophobicContact CD1-CG 4.33Å; F7-M11 HydrophobicContact CE1-CG 3.96Å; F7-M11 HydrophobicContact CZ-CG 4.2Å; F7-M11 WeakPolarHBondContact O-CB 3.44Å; F7-M11 WeakPolarHBondContact O-CG 3.46Å; F7-M11 PolarHBondContact O-N 2.75Å; F8-M11 PolarHBondContact O-N 3.44Å; M11-L15 VanDerWaalsContact O-CB 3.32Å; M11-L15 WeakPolarHBondContact O-CB 3.45Å; M11-L15 PolarHBondContact O-N 2.84Å
12	I	69	Low	61.9	Low	87 Å²	87	103.1 Å²	103.1	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-42.6	177.4	-68.9	166.7	0	0	0	110.5	F8 L9 L15 I16	F8-I12 VanDerWaalsContact O-CG1 3.27Å; F8-I12 WeakPolarHBondContact O-CG1 3.34Å; F8-I12 PolarHBondContact O-N 2.68Å; L9-I12 PolarHBondContact O-N 2.68Å; I12-L15 PolarHBondContact O-N 3.42Å; I12-I16 HydrophobicContact CG2-CD1 3.63Å; I12-I16 HydrophobicContact CG2-CG1 4.3Å; I12-I16 WeakPolarHBondContact O-CB 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.47Å
13	S	65.8	Low	62.5	Low	57 Å²	57	94.1 Å²	94.1	40%	0.399	48%	0.483	S	S	.	.	H	α-helix	trans	-68.8	-37.6	179.4	67.1	0	0	0	0	112.9	L9 L10 I16 F17	L9-S13 WeakPolarHBondContact O-CB 3.47Å; L9-S13 PolarHBondContact O-N 3.14Å; L9-S13 PolarHBondContact O-OG 2.57Å; L10-S13 WeakPolarHBondContact CA-OG 3.4Å; L10-S13 PolarHBondContact O-N 3.06Å; L10-S13 PolarHBondContact O-OG 2.81Å; S13-I16 PolarHBondContact O-N 2.75Å; S13-F17 VanDerWaalsContact O-CB 3.31Å; S13-F17 WeakPolarHBondContact O-CB 3.48Å; S13-F17 PolarHBondContact O-N 2.61Å
14	I	67.5	Low	62.7	Low	99 Å²	99	94.8 Å²	94.8	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-43.1	172.5	-69.7	168.3	0	0	0	110.4	L10 F17 Y18	L10-I14 HydrophobicContact CD1-CD1 4.21Å; L10-I14 HydrophobicContact CD1-CG1 4.44Å; L10-I14 HydrophobicContact CG-CD1 3.91Å; L10-I14 WeakPolarHBondContact O-CB 3.3Å; L10-I14 VanDerWaalsContact O-CG1 3.23Å; L10-I14 WeakPolarHBondContact O-CG1 3.25Å; L10-I14 PolarHBondContact O-N 3.34Å; I14-F17 PolarHBondContact O-N 2.92Å; I14-Y18 WeakPolarHBondContact O-CB 3.37Å; I14-Y18 PolarHBondContact O-N 3.47Å
15	L	67.4	Low	63.1	Low	107 Å²	107	93 Å²	93	56%	0.56	47%	0.47	S	S	*	.	H	α-helix	trans	-62.9	-45.6	176.5	-176.3	65.4	0	0	0	111.3	M11 I12 Y18 V19	M11-L15 VanDerWaalsContact O-CB 3.32Å; M11-L15 WeakPolarHBondContact O-CB 3.45Å; M11-L15 PolarHBondContact O-N 2.84Å; I12-L15 PolarHBondContact O-N 3.42Å; L15-Y18 PolarHBondContact O-N 3.4Å; L15-V19 HydrophobicContact CD1-CG2 4.4Å; L15-V19 WeakPolarHBondContact O-CB 3.44Å; L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 3.19Å
16	I	70.1	Confident	63.8	Low	82 Å²	82	85.8 Å²	85.8	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-61.7	-44.9	176	-69.4	166.7	0	0	0	110.7	I12 S13 V19 A20 W266	I12-I16 HydrophobicContact CG2-CD1 3.63Å; I12-I16 HydrophobicContact CG2-CG1 4.3Å; I12-I16 WeakPolarHBondContact O-CB 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.47Å; S13-I16 PolarHBondContact O-N 2.75Å; I16-V19 PolarHBondContact O-N 3.26Å; I16-A20 WeakPolarHBondContact O-CB 3.34Å; I16-A20 PolarHBondContact O-N 3.09Å; I16-W266 HydrophobicContact CG2-CH2 4.22Å
17	F	71.1	Confident	63.9	Low	141 Å²	141	89.6 Å²	89.6	62%	0.618	45%	0.449	S	S	*	.	H	α-helix	trans	-65.6	-42.5	178.4	179.7	-100.5	0	0	0	112	S13 I14 A20 L21	S13-F17 VanDerWaalsContact O-CB 3.31Å; S13-F17 WeakPolarHBondContact O-CB 3.48Å; S13-F17 PolarHBondContact O-N 2.61Å; I14-F17 PolarHBondContact O-N 2.92Å; F17-A20 PolarHBondContact O-N 3.33Å; F17-L21 HydrophobicContact CE1-CD2 4.3Å; F17-L21 VanDerWaalsContact O-CB 3.27Å; F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 2.81Å
18	Y	66.8	Low	63.3	Low	118 Å²	118	88.4 Å²	88.4	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-44.1	176.7	176.3	-100.4	0	0	0	111.6	I14 L15 L21 R22	I14-Y18 WeakPolarHBondContact O-CB 3.37Å; I14-Y18 PolarHBondContact O-N 3.47Å; L15-Y18 PolarHBondContact O-N 3.4Å; Y18-L21 PolarHBondContact O-N 3.2Å; Y18-R22 HydrophobicContact CD1-CG 4.48Å; Y18-R22 HydrophobicContact CE1-CG 4.14Å; Y18-R22 HydrophobicContact CE2-CG 4.24Å; Y18-R22 WeakPolarHBondContact O-CB 3.49Å; Y18-R22 VanDerWaalsContact O-CG 3.29Å; Y18-R22 WeakPolarHBondContact O-CG 3.28Å; Y18-R22 PolarHBondContact O-N 2.79Å; Y18-R22 PolarHBondContact OH-NE 3.38Å; Y18-R22 PolarHBondContact OH-NH2 2.93Å; Y18-R22 VanDerWaalsContact OH-NH2 3.14Å
19	V	64.4	Low	63.4	Low	59 Å²	59	85.1 Å²	85.1	36%	0.358	45%	0.446	S	S	.	.	H	α-helix	trans	-62.1	-48.3	173.7	171.1	0	0	0	0	109.9	L15 I16 L21 R22 L23	L15-V19 HydrophobicContact CD1-CG2 4.4Å; L15-V19 WeakPolarHBondContact O-CB 3.44Å; L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 3.19Å; I16-V19 PolarHBondContact O-N 3.26Å; V19-L21 PolarHBondContact O-N 2.69Å; V19-R22 PolarHBondContact O-N 3.31Å; V19-L23 HydrophobicContact CG1-CD1 3.78Å; V19-L23 HydrophobicContact CG1-CG 4.19Å; V19-L23 VanDerWaalsContact O-CB 3.26Å; V19-L23 WeakPolarHBondContact O-CB 3.42Å; V19-L23 WeakPolarHBondContact O-CG 3.29Å; V19-L23 PolarHBondContact O-N 3.4Å
20	A	65.6	Low	63.3	Low	32 Å²	32	88.5 Å²	88.5	26%	0.264	46%	0.458	S	S	.	.	H	α-helix	trans	-61.1	-40.6	178.3	0	0	0	0	0	113.1	I16 F17 L23 L24	I16-A20 WeakPolarHBondContact O-CB 3.34Å; I16-A20 PolarHBondContact O-N 3.09Å; F17-A20 PolarHBondContact O-N 3.33Å; A20-L23 WeakPolarHBondContact O-CB 3.49Å; A20-L23 PolarHBondContact O-N 3.03Å; A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.32Å; A20-L24 PolarHBondContact O-N 2.81Å
21	L	65.6	Low	63.3	Low	82 Å²	82	85.3 Å²	85.3	43%	0.429	44%	0.442	S	S	.	.	H	α-helix	trans	-67.5	-43.8	177.1	-175.9	67.4	0	0	0	111.1	F17 Y18 V19 L23 L24 L25	F17-L21 HydrophobicContact CE1-CD2 4.3Å; F17-L21 VanDerWaalsContact O-CB 3.27Å; F17-L21 WeakPolarHBondContact O-CB 3.41Å; F17-L21 PolarHBondContact O-N 2.81Å; Y18-L21 PolarHBondContact O-N 3.2Å; V19-L21 PolarHBondContact O-N 2.69Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 2.86Å; L21-L24 PolarHBondContact O-N 3.44Å; L21-L25 HydrophobicContact CG-CD1 4.33Å; L21-L25 WeakPolarHBondContact O-CD1 3.48Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.29Å
22	R	62.6	Low	63.4	Low	91 Å²	91	85.5 Å²	85.5	34%	0.343	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-43.3	173.9	-77.3	-68.8	-137.8	-142.6	4	111	Y18 V19 L25 I26	Y18-R22 HydrophobicContact CD1-CG 4.48Å; Y18-R22 HydrophobicContact CE1-CG 4.14Å; Y18-R22 HydrophobicContact CE2-CG 4.24Å; Y18-R22 WeakPolarHBondContact O-CB 3.49Å; Y18-R22 VanDerWaalsContact O-CG 3.29Å; Y18-R22 WeakPolarHBondContact O-CG 3.28Å; Y18-R22 PolarHBondContact O-N 2.79Å; Y18-R22 PolarHBondContact OH-NE 3.38Å; Y18-R22 PolarHBondContact OH-NH2 2.93Å; Y18-R22 VanDerWaalsContact OH-NH2 3.14Å; V19-R22 PolarHBondContact O-N 3.31Å; R22-L25 PolarHBondContact O-N 2.86Å; R22-I26 WeakPolarHBondContact O-CG1 3.36Å; R22-I26 PolarHBondContact O-N 3.01Å
23	L	61.6	Low	63.8	Low	7 Å²	7	83.4 Å²	83.4	4%	0.037	44%	0.439	C	S	.	.	H	α-helix	trans	-61.4	-42.4	177.7	-78.8	177.4	0	0	0	113.3	V19 A20 L21 L25 I26 L260 L261 P263	V19-L23 HydrophobicContact CG1-CD1 3.78Å; V19-L23 HydrophobicContact CG1-CG 4.19Å; V19-L23 VanDerWaalsContact O-CB 3.26Å; V19-L23 WeakPolarHBondContact O-CB 3.42Å; V19-L23 WeakPolarHBondContact O-CG 3.29Å; V19-L23 PolarHBondContact O-N 3.4Å; A20-L23 WeakPolarHBondContact O-CB 3.49Å; A20-L23 PolarHBondContact O-N 3.03Å; L21-L23 VanDerWaalsContact C-N 3.3Å; L21-L23 PolarHBondContact O-N 2.86Å; L23-L25 PolarHBondContact O-N 3.47Å; L23-I26 HydrophobicContact CD2-CD1 4.17Å; L23-I26 PolarHBondContact O-N 2.86Å; L23-L260 WeakPolarHBondContact CD2-O 3.43Å; L23-L261 VanDerWaalsContact CD2-CA 3.5Å; L23-L261 WeakPolarHBondContact CD2-O 3.15Å; L23-P263 HydrophobicContact CB-CG 4.2Å
24	L	62.4	Low	64.7	Low	123 Å²	123	86.1 Å²	86.1	64%	0.644	45%	0.45	S	S	*	.	H	α-helix	trans	-67.9	-22.6	177.5	-75	166.5	0	0	0	113.3	A20 L21	A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.32Å; A20-L24 PolarHBondContact O-N 2.81Å; L21-L24 PolarHBondContact O-N 3.44Å
25	L	57.5	Low	65.7	Low	84 Å²	84	87 Å²	87	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-86.9	-20.2	-179.6	-68.6	168.6	0	0	0	113	L21 R22 L23 D27 C28	L21-L25 HydrophobicContact CG-CD1 4.33Å; L21-L25 WeakPolarHBondContact O-CD1 3.48Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.29Å; R22-L25 PolarHBondContact O-N 2.86Å; L23-L25 PolarHBondContact O-N 3.47Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 3.21Å; L25-C28 PolarHBondContact O-N 3.3Å
26	I	60.8	Low	67	Low	6 Å²	6	86.3 Å²	86.3	3%	0.031	45%	0.449	C	S	.	.	H	α-helix	trans	-63.3	-36.2	-175.5	-71.5	166.1	0	0	0	112.5	R22 L23 C28 F387	R22-I26 WeakPolarHBondContact O-CG1 3.36Å; R22-I26 PolarHBondContact O-N 3.01Å; L23-I26 HydrophobicContact CD2-CD1 4.17Å; L23-I26 PolarHBondContact O-N 2.86Å; I26-C28 PolarHBondContact O-N 2.88Å; I26-F387 HydrophobicContact CD1-CD1 4.46Å; I26-F387 HydrophobicContact CD1-CE1 3.78Å; I26-F387 HydrophobicContact CD1-CZ 4.41Å; I26-F387 HydrophobicContact CG1-CE1 4.37Å
27	D	54.8	Low	68.2	Low	125 Å²	125	84 Å²	84	67%	0.668	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.5	-179.4	-79.9	-27.3	0	0	0	113.6	L25	L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 3.21Å
28	C	48.8	Very low	69.4	Low	104 Å²	104	77.4 Å²	77.4	70%	0.703	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-2.1	-170.5	-66.8	0	0	0	0	114.7	L25 I26	L25-C28 PolarHBondContact O-N 3.3Å; I26-C28 PolarHBondContact O-N 2.88Å
29	V	57.5	Low	70.8	Confident	60 Å²	60	71.9 Å²	71.9	36%	0.364	39%	0.386	S	S	.	.			trans	-99.8	103.3	-176.6	-171.9	0	0	0	0	110.3	L31 I388	V29-L31 HydrophobicContact CG1-CD2 3.81Å; V29-L31 HydrophobicContact CG1-CG 4.01Å; V29-L31 PolarHBondContact O-N 3.31Å; V29-I388 HydrophobicContact CB-CD1 4.16Å; V29-I388 HydrophobicContact CB-CG2 4.45Å; V29-I388 HydrophobicContact CG1-CD1 3.99Å; V29-I388 HydrophobicContact CG2-CD1 4.34Å
30	E	60.5	Low	72.2	Confident	190 Å²	190	75.4 Å²	75.4	89%	0.888	40%	0.398	S	S	*	.			trans	-74.6	100	163.3	-153.3	172.1	-151.9	0	0	107.4	V32	E30-V32 PolarHBondContact O-N 2.87Å
31	L	66	Low	73.4	Confident	32 Å²	32	76.6 Å²	76.6	17%	0.168	41%	0.413	C	S	.	.			trans	-74	121.2	-179.1	-78.3	173	0	0	0	110.1	V29 V33 D385 I388 Y389	V29-L31 HydrophobicContact CG1-CD2 3.81Å; V29-L31 HydrophobicContact CG1-CG 4.01Å; V29-L31 PolarHBondContact O-N 3.31Å; L31-V33 PolarHBondContact O-N 3.17Å; L31-D385 HydrophobicContact CD1-CB 3.9Å; L31-D385 HydrophobicContact CD2-CB 4.33Å; L31-D385 WeakPolarHBondContact CD2-OD1 3.44Å; L31-I388 HydrophobicContact CD1-CB 3.8Å; L31-I388 HydrophobicContact CD1-CD1 4.17Å; L31-I388 HydrophobicContact CD1-CG2 3.64Å; L31-I388 HydrophobicContact CD2-CD1 3.88Å; L31-I388 HydrophobicContact CG-CD1 4.25Å; L31-I388 HydrophobicContact CG-CG2 4.17Å; L31-Y389 HydrophobicContact CB-CE2 4.16Å; L31-Y389 WeakPolarHBondContact CB-OH 3.35Å; L31-Y389 HydrophobicContact CD1-CD2 3.62Å; L31-Y389 HydrophobicContact CD1-CE1 4.28Å; L31-Y389 HydrophobicContact CD1-CE2 3.3Å; L31-Y389 HydrophobicContact CD1-CG 4.24Å; L31-Y389 HydrophobicContact CG-CE2 4.38Å
32	V	65.3	Low	74.7	Confident	110 Å²	110	76.7 Å²	76.7	67%	0.667	43%	0.426	S	S	*	.			trans	-77.1	119.6	169.8	-177.8	0	0	0	0	107.8	E30 D34	E30-V32 PolarHBondContact O-N 2.87Å; V32-D34 WeakPolarHBondContact CG1-OD1 3.46Å; V32-D34 PolarHBondContact O-N 2.83Å
33	V	77.7	Confident	76.2	Confident	42 Å²	42	79 Å²	79	26%	0.255	44%	0.444	S	S	.	.			trans	-94.1	81.9	179.7	-175.8	0	0	0	0	108.1	L31 R210 M242 Y389	L31-V33 PolarHBondContact O-N 3.17Å; V33-R210 HydrophobicContact CG1-CB 3.83Å; V33-R210 HydrophobicContact CG1-CG 3.81Å; V33-M242 HydrophobicContact CB-CE 4.37Å; V33-M242 HydrophobicContact CG1-CE 3.82Å; V33-M242 HydrophobicContact CG1-SD 4.23Å; V33-M242 HydrophobicContact CG2-CE 3.55Å; V33-M242 HydrophobicContact CG2-CG 3.98Å; V33-M242 HydrophobicContact CG2-SD 4.1Å; V33-Y389 VanDerWaalsContact CG2-OH 3.28Å; V33-Y389 WeakPolarHBondContact CG2-OH 3.36Å
34	D	84.1	Confident	77.7	Confident	115 Å²	115	81.4 Å²	81.4	62%	0.615	46%	0.464	S	S	*	.			trans	-72.2	157	179.3	-74.6	-39.7	0	0	0	111.7	V32 R210	V32-D34 WeakPolarHBondContact CG1-OD1 3.46Å; V32-D34 PolarHBondContact O-N 2.83Å; D34-R210 PolarHBondContact O-NH1 3.35Å
35	D	90.2	Very high	79.2	Confident	118 Å²	118	83.5 Å²	83.5	63%	0.631	48%	0.475	S	S	*	.			trans	-71.7	140.7	173.1	-80.7	12.8	0	0	0	111.8	K214	D35-K214 VanDerWaalsContact OD1-CE 3.29Å; D35-K214 WeakPolarHBondContact OD1-CE 3.44Å; D35-K214 IonicContact OD1-NZ 2.79Å; D35-K214 PolarHBondContact OD1-NZ 3.29Å; D35-K214 IonicContact OD2-NZ 3.58Å; D35-K214 PolarHBondContact OD2-NZ 3.47Å
36	E	93.2	Very high	81	Confident	91 Å²	91	81.3 Å²	81.3	43%	0.425	46%	0.463	S	S	.	.			trans	-130.7	174	178.1	-69.2	-174.5	-110.1	0	0	110	F38 E124	E36-F38 HydrophobicContact CB-CD2 4.49Å; E36-F38 HydrophobicContact CB-CE2 3.74Å; E36-F38 HydrophobicContact CB-CZ 3.86Å; E36-F38 HydrophobicContact CG-CZ 4.45Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.46Å; E36-E124 VanDerWaalsContact O-CB 3.27Å; E36-E124 WeakPolarHBondContact O-CB 3.21Å; E36-E124 VanDerWaalsContact O-CG 3.25Å; E36-E124 WeakPolarHBondContact O-CG 3.37Å
37	Y	95.7	Very high	82.7	Confident	35 Å²	35	83.6 Å²	83.6	14%	0.137	48%	0.475	C	S	.	.			trans	-136.1	117.1	178.6	-178.3	-88.3	0	0	0	110.5	G39 A42 I43 A44 K200	Y37-G39 VanDerWaalsContact CE1-C 3.46Å; Y37-G39 VanDerWaalsContact CE1-CA 3.47Å; Y37-G39 WeakPolarHBondContact CE1-O 3.38Å; Y37-A42 WeakPolarHBondContact CE1-O 3.5Å; Y37-I43 HydrophobicContact CD1-CG1 4.23Å; Y37-I43 HydrophobicContact CD2-CB 4.41Å; Y37-I43 HydrophobicContact CD2-CG2 4.04Å; Y37-I43 HydrophobicContact CG-CB 4.34Å; Y37-I43 HydrophobicContact CG-CG1 3.96Å; Y37-I43 HydrophobicContact CG-CG2 4.33Å; Y37-A44 HydrophobicContact CE2-CB 4.44Å; Y37-K200 VanDerWaalsContact O-CD 3.3Å; Y37-K200 WeakPolarHBondContact O-CD 3.24Å
38	F	97.1	Very high	84.8	Confident	1 Å²	1	86.3 Å²	86.3	0%	0.004	48%	0.476	C	S	.	.			trans	-109.9	3.2	-176.5	-62.2	-74.8	0	0	0	113.7	E36 E124 L126 P198 R199 K200 F203 A207	E36-F38 HydrophobicContact CB-CD2 4.49Å; E36-F38 HydrophobicContact CB-CE2 3.74Å; E36-F38 HydrophobicContact CB-CZ 3.86Å; E36-F38 HydrophobicContact CG-CZ 4.45Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.46Å; F38-E124 PolarHBondContact N-O 3.04Å; F38-L126 HydrophobicContact CB-CD1 3.72Å; F38-L126 HydrophobicContact CB-CD2 3.95Å; F38-L126 HydrophobicContact CB-CG 3.87Å; F38-L126 HydrophobicContact CD2-CD1 4.31Å; F38-L126 HydrophobicContact CG-CD1 4.38Å; F38-P198 HydrophobicContact CB-CB 4.22Å; F38-R199 WeakPolarHBondContact O-CB 3.41Å; F38-R199 PolarHBondContact O-N 3.25Å; F38-K200 HydrophobicContact CD1-CB 4.33Å; F38-F203 HydrophobicContact CD1-CB 3.96Å; F38-F203 HydrophobicContact CD1-CD2 4.07Å; F38-F203 AromaticContact CD2-CD2 3.64Å; F38-F203 HydrophobicContact CD2-CD2 3.64Å; F38-F203 HydrophobicContact CD2-CE2 4.19Å; F38-F203 HydrophobicContact CE1-CB 3.92Å; F38-F203 HydrophobicContact CE1-CD2 4.16Å; F38-F203 AromaticContact CE2-CD2 3.7Å; F38-F203 HydrophobicContact CE2-CD2 3.7Å; F38-F203 HydrophobicContact CE2-CE2 4.28Å; F38-F203 AromaticContact CG-CD2 3.82Å; F38-F203 HydrophobicContact CG-CD2 3.82Å; F38-F203 HydrophobicContact CZ-CB 4.39Å; F38-F203 AromaticContact CZ-CD2 3.98Å; F38-F203 HydrophobicContact CZ-CD2 3.98Å; F38-A207 HydrophobicContact CE2-CB 3.97Å; F38-A207 HydrophobicContact CZ-CB 3.95Å
39	G	96.2	Very high	87.1	Confident	3 Å²	3	84.5 Å²	84.5	3%	0.031	46%	0.462	C	S	.	.	S	Bend	trans	-67.7	173.9	173.1	0	0	0	0	0	113.8	Y37 G125 K200	Y37-G39 VanDerWaalsContact CE1-C 3.46Å; Y37-G39 VanDerWaalsContact CE1-CA 3.47Å; Y37-G39 WeakPolarHBondContact CE1-O 3.38Å; G39-G125 WeakPolarHBondContact CA-O 3.44Å; G39-K200 WeakPolarHBondContact O-CE 3.49Å
40	H	92.6	Very high	89.1	Confident	133 Å²	133	84.6 Å²	84.6	62%	0.616	46%	0.46	S	S	*	.	S	Bend	trans	-69.9	138.2	175.2	-82.2	-75.6	0	0	0	111.8	R199	H40-R199 VanDerWaalsContact CE1-CD 3.44Å; H40-R199 WeakPolarHBondContact CE1-CD 3.31Å; H40-R199 PolarHBondContact CE1-NE 3.09Å; H40-R199 VanDerWaalsContact CE1-NE 3.3Å; H40-R199 WeakPolarHBondContact NE2-CD 3.34Å; H40-R199 PolarHBondContact NE2-NE 3.48Å
41	G	92.3	Very high	90.9	Very high	56 Å²	56	81.6 Å²	81.6	58%	0.577	44%	0.441	S	S	*	.	S	Bend	trans	72.2	-145.2	169.6	0	0	0	0	0	114.4	K200	G41-K200 WeakPolarHBondContact O-CE 3.45Å; G41-K200 PolarHBondContact O-NZ 3.49Å
42	A	92.5	Very high	92.5	Very high	85 Å²	85	85.3 Å²	85.3	70%	0.702	47%	0.467	S	S	*	.	S	Bend	trans	-70.2	157.8	179	0	0	0	0	0	111.1	Y37 A44	Y37-A42 WeakPolarHBondContact CE1-O 3.5Å; A42-A44 PolarHBondContact O-N 3.21Å
43	I	94	Very high	94.1	Very high	139 Å²	139	82.6 Å²	82.6	71%	0.713	45%	0.446	S	S	*	.			trans	-60.5	127.5	176.9	-60.9	174.1	0	0	0	108.8	Y37	Y37-I43 HydrophobicContact CD1-CG1 4.23Å; Y37-I43 HydrophobicContact CD2-CB 4.41Å; Y37-I43 HydrophobicContact CD2-CG2 4.04Å; Y37-I43 HydrophobicContact CG-CB 4.34Å; Y37-I43 HydrophobicContact CG-CG1 3.96Å; Y37-I43 HydrophobicContact CG-CG2 4.33Å
44	A	92	Very high	95	Very high	57 Å²	57	85.1 Å²	85.1	47%	0.471	46%	0.462	S	S	.	.			trans	-119.1	154.9	173.7	0	0	0	0	0	109.7	Y37 A42	Y37-A44 HydrophobicContact CE2-CB 4.44Å; A42-A44 PolarHBondContact O-N 3.21Å
45	I	94.2	Very high	95.7	Very high	168 Å²	168	79.8 Å²	79.8	86%	0.862	43%	0.433	S	S	*	.			trans	-73.9	127	173.1	-60.5	172.6	0	0	0	108.1
46	D	96.4	Very high	96	Very high	37 Å²	37	78.7 Å²	78.7	20%	0.198	44%	0.435	C	S	.	.			trans	-62.9	137.9	178.1	-67.3	-29.6	0	0	0	112.1	R48 E122 I123 E124 G125	D46-R48 PolarHBondContact O-N 2.62Å; D46-R48 VanDerWaalsContact O-N 3.15Å; D46-E122 HydrophobicContact CB-CB 3.85Å; D46-I123 WeakPolarHBondContact OD2-CA 3.3Å; D46-E124 PolarHBondContact OD1-N 3.48Å; D46-E124 PolarHBondContact OD2-N 3.4Å; D46-G125 WeakPolarHBondContact OD1-CA 3.37Å; D46-G125 PolarHBondContact OD1-N 3Å
47	D	96.4	Very high	96.2	Very high	54 Å²	54	74.9 Å²	74.9	29%	0.289	42%	0.417	S	S	.	.			trans	-68.1	109	161.3	178.8	7.5	0	0	0	109.7	T49 R51 E122	D47-T49 PolarHBondContact O-N 2.96Å; D47-T49 WeakPolarHBondContact OD1-CB 3.36Å; D47-T49 PolarHBondContact OD1-N 3.05Å; D47-T49 PolarHBondContact OD1-OG1 2.79Å; D47-R51 IonicContact OD2-CZ 2.75Å; D47-R51 VanDerWaalsContact OD2-CZ 3.31Å; D47-R51 IonicContact OD2-NE 2.98Å; D47-R51 PolarHBondContact OD2-NE 3.33Å; D47-R51 VanDerWaalsContact OD2-NE 3.09Å; D47-R51 IonicContact OD2-NH2 2.61Å; D47-R51 PolarHBondContact OD2-NH2 3.3Å; D47-E122 HydrophobicContact CB-CG 4.49Å; D47-E122 PolarHBondContact N-OE2 3.49Å; D47-E122 PolarHBondContact O-N 2.88Å
48	R	97.6	Very high	96.3	Very high	183 Å²	183	76.5 Å²	76.5	69%	0.691	43%	0.431	S	S	*	.			trans	-74.6	-6.8	-177.3	-62.1	-176.4	65.9	153.8	0.7	114.3	D46 R218	D46-R48 PolarHBondContact O-N 2.62Å; D46-R48 VanDerWaalsContact O-N 3.15Å; R48-R218 VanDerWaalsContact CA-NH1 3.29Å; R48-R218 WeakPolarHBondContact O-CD 3.4Å; R48-R218 PolarHBondContact O-NH1 3.42Å
49	T	98.4	Very high	96.3	Very high	66 Å²	66	81 Å²	81	41%	0.405	45%	0.452	S	S	.	.			trans	-64.8	136.2	-176.8	-49.4	0	0	0	0	110.6	D47 R51 T121	D47-T49 PolarHBondContact O-N 2.96Å; D47-T49 WeakPolarHBondContact OD1-CB 3.36Å; D47-T49 PolarHBondContact OD1-N 3.05Å; D47-T49 PolarHBondContact OD1-OG1 2.79Å; T49-R51 HydrophobicContact CG2-CG 3.97Å; T49-T121 WeakPolarHBondContact O-CB 3.41Å; T49-T121 PolarHBondContact O-OG1 2.98Å
50	I	98.7	Very high	96.4	Very high	61 Å²	61	87.4 Å²	87.4	31%	0.313	49%	0.485	S	S	.	.			trans	-91.3	115.9	168.3	-60.7	172.5	0	0	0	107.1	Y119 F130 R218 L219	I50-Y119 HydrophobicContact CG2-CD1 3.76Å; I50-Y119 HydrophobicContact CG2-CG 4.03Å; I50-F130 HydrophobicContact CG2-CZ 3.85Å; I50-R218 HydrophobicContact CD1-CG 4.21Å; I50-R218 HydrophobicContact CG1-CG 4.19Å; I50-L219 HydrophobicContact CD1-CD2 3.7Å
51	R	98.7	Very high	96.7	Very high	128 Å²	128	84.6 Å²	84.6	48%	0.483	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.9	-174.4	-62	178.6	-179.2	-79.8	-1.7	109.5	D47 T49 Y119 T120	D47-R51 IonicContact OD2-CZ 2.75Å; D47-R51 VanDerWaalsContact OD2-CZ 3.31Å; D47-R51 IonicContact OD2-NE 2.98Å; D47-R51 PolarHBondContact OD2-NE 3.33Å; D47-R51 VanDerWaalsContact OD2-NE 3.09Å; D47-R51 IonicContact OD2-NH2 2.61Å; D47-R51 PolarHBondContact OD2-NH2 3.3Å; T49-R51 HydrophobicContact CG2-CG 3.97Å; R51-Y119 CarbonylContact O-C 3.4Å; R51-Y119 WeakPolarHBondContact O-CA 3.31Å; R51-T120 PolarHBondContact N-O 3.4Å; R51-T120 PolarHBondContact O-N 2.84Å
52	P	98.6	Very high	97	Very high	110 Å²	110	82.1 Å²	82.1	71%	0.714	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.2	145.4	168.4	-23.3	33.7	0	0	0	110.7
53	F	98.5	Very high	97.2	Very high	53 Å²	53	81.6 Å²	81.6	23%	0.232	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.8	176.9	177.7	-100.9	0	0	0	109.1	L55 H118 T120 H129 W194	F53-L55 HydrophobicContact CE1-CD2 3.56Å; F53-L55 HydrophobicContact CE1-CG 4.11Å; F53-L55 HydrophobicContact CZ-CD2 4.18Å; F53-H118 HydrophobicContact CB-CB 4.05Å; F53-H118 HydrophobicContact CD1-CB 3.83Å; F53-H118 HydrophobicContact CG-CB 4.45Å; F53-H118 PolarHBondContact N-O 3.37Å; F53-H118 WeakPolarHBondContact O-CB 3.3Å; F53-T120 HydrophobicContact CB-CG2 4.06Å; F53-T120 HydrophobicContact CD2-CG2 3.98Å; F53-T120 HydrophobicContact CG-CG2 4.08Å; F53-H129 AromaticContact CD1-CD2 3.56Å; F53-H129 AromaticContact CD1-NE2 3.95Å; F53-H129 AromaticContact CE1-CD2 3.83Å; F53-W194 HydrophobicContact CE1-CB 4.14Å; F53-W194 HydrophobicContact CE1-CD2 4.42Å; F53-W194 AromaticContact CE1-CG 4Å; F53-W194 HydrophobicContact CE1-CG 4Å; F53-W194 HydrophobicContact CZ-CB 3.91Å; F53-W194 AromaticContact CZ-CD1 3.63Å; F53-W194 HydrophobicContact CZ-CD2 4.47Å; F53-W194 AromaticContact CZ-CG 3.72Å; F53-W194 HydrophobicContact CZ-CG 3.72Å
54	T	98.3	Very high	97.4	Very high	95 Å²	95	79.8 Å²	79.8	58%	0.583	42%	0.418	S	S	*	.			trans	-134.3	129.4	176.3	-57.2	0	0	0	0	107	S56	T54-S56 PolarHBondContact O-N 3.17Å
55	L	97	Very high	97.7	Very high	2 Å²	2	77.4 Å²	77.4	1%	0.01	40%	0.397	C	S	.	.			trans	-66.4	119.7	171.7	-60.7	166.6	0	0	0	107.5	F53 E110 L113 N114 M157 W194	F53-L55 HydrophobicContact CE1-CD2 3.56Å; F53-L55 HydrophobicContact CE1-CG 4.11Å; F53-L55 HydrophobicContact CZ-CD2 4.18Å; L55-E110 HydrophobicContact CB-CG 4.38Å; L55-L113 HydrophobicContact CD1-CB 3.54Å; L55-L113 HydrophobicContact CD1-CD1 4.1Å; L55-L113 HydrophobicContact CD1-CG 4.45Å; L55-N114 WeakPolarHBondContact CB-OD1 3.36Å; L55-N114 PolarHBondContact N-OD1 3.1Å; L55-N114 PolarHBondContact O-ND2 2.92Å; L55-M157 HydrophobicContact CD1-CE 3.95Å; L55-M157 HydrophobicContact CD2-CE 4.49Å; L55-W194 HydrophobicContact CD1-CH2 4.44Å; L55-W194 HydrophobicContact CD2-CD2 3.39Å; L55-W194 HydrophobicContact CD2-CE3 3.54Å; L55-W194 HydrophobicContact CD2-CG 4.18Å; L55-W194 HydrophobicContact CD2-CH2 3.46Å; L55-W194 VanDerWaalsContact CD2-CH2 3.46Å; L55-W194 HydrophobicContact CD2-CZ2 3.31Å; L55-W194 HydrophobicContact CD2-CZ3 3.57Å
56	S	96.9	Very high	97.9	Very high	96 Å²	96	73 Å²	73	67%	0.671	37%	0.369	S	S	*	.			trans	-144.3	102.4	179.7	-173.4	0	0	0	0	108.5	T54 E110	T54-S56 PolarHBondContact O-N 3.17Å; S56-E110 WeakPolarHBondContact CA-OE1 3.43Å
57	I	97.8	Very high	98	Very high	10 Å²	10	74 Å²	74	5%	0.051	37%	0.374	C	S	.	.			trans	-98.7	134.5	177.7	-55.2	-56.1	0	0	0	108.7	E61 L62 W106 R107 E110 L366	I57-E61 HydrophobicContact CG2-CB 3.91Å; I57-L62 HydrophobicContact CG2-CD2 3.8Å; I57-L62 HydrophobicContact CG2-CG 3.97Å; I57-W106 HydrophobicContact CG1-CZ2 3.57Å; I57-R107 VanDerWaalsContact O-CZ 3.23Å; I57-R107 PolarHBondContact O-NH1 2.89Å; I57-R107 PolarHBondContact O-NH2 3.49Å; I57-E110 WeakPolarHBondContact CB-OE1 3.31Å; I57-E110 WeakPolarHBondContact CG1-OE1 3.42Å; I57-E110 PolarHBondContact N-OE1 2.75Å; I57-L366 HydrophobicContact CD1-CB 4.04Å; I57-L366 HydrophobicContact CD1-CD1 3.94Å; I57-L366 HydrophobicContact CD1-CD2 4.46Å; I57-L366 HydrophobicContact CD1-CG 4.37Å; I57-L366 HydrophobicContact CG1-CD1 3.72Å; I57-L366 HydrophobicContact CG1-CD2 4.47Å; I57-L366 HydrophobicContact CG2-CD1 4.35Å; I57-L366 HydrophobicContact CG2-CD2 3.67Å
58	T	97.8	Very high	98.1	Very high	70 Å²	70	75.3 Å²	75.3	43%	0.429	38%	0.375	S	S	.	.			trans	-74.8	154.4	-179.9	63.2	0	0	0	0	111.6	D60 E61 L62	T58-D60 PolarHBondContact O-N 2.92Å; T58-E61 WeakPolarHBondContact CB-OE2 3.2Å; T58-E61 PolarHBondContact N-OE2 3.23Å; T58-E61 PolarHBondContact O-N 3.43Å; T58-E61 VanDerWaalsContact OG1-CG 3.23Å; T58-E61 WeakPolarHBondContact OG1-CG 3.18Å; T58-E61 PolarHBondContact OG1-N 2.66Å; T58-E61 PolarHBondContact OG1-OE2 3.22Å; T58-L62 PolarHBondContact O-N 2.98Å
59	E	97.8	Very high	98.1	Very high	96 Å²	96	66.7 Å²	66.7	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-30.6	171.7	-76.1	-57.2	140	0	0	112	L62 E63 R66 R107	E59-L62 PolarHBondContact O-N 3.39Å; E59-E63 WeakPolarHBondContact O-CB 3.21Å; E59-E63 PolarHBondContact O-N 3.22Å; E59-R66 IonicContact OE2-NH1 2.9Å; E59-R66 IonicContact OE2-NH2 3.85Å; E59-R107 VanDerWaalsContact CD-NH2 3.33Å; E59-R107 IonicContact OE1-CZ 3.84Å; E59-R107 IonicContact OE1-NE 3.35Å; E59-R107 PolarHBondContact OE1-NE 3.4Å; E59-R107 IonicContact OE1-NH2 2.74Å; E59-R107 PolarHBondContact OE1-NH2 3.28Å
60	D	98.3	Very high	98.1	Very high	137 Å²	137	69.7 Å²	69.7	73%	0.733	35%	0.347	S	S	*	.	H	α-helix	trans	-63.3	-43	176.9	-68.7	-15.9	0	0	0	111.6	T58 L62 E63 E64	T58-D60 PolarHBondContact O-N 2.92Å; D60-L62 VanDerWaalsContact C-N 3.32Å; D60-L62 PolarHBondContact O-N 3.47Å; D60-E63 PolarHBondContact O-N 3.01Å; D60-E64 PolarHBondContact O-N 2.95Å
61	E	97.8	Very high	98	Very high	74 Å²	74	73.7 Å²	73.7	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-38.5	174.6	-75	166.4	116.6	0	0	112.2	I57 T58 L65	I57-E61 HydrophobicContact CG2-CB 3.91Å; T58-E61 WeakPolarHBondContact CB-OE2 3.2Å; T58-E61 PolarHBondContact N-OE2 3.23Å; T58-E61 PolarHBondContact O-N 3.43Å; T58-E61 VanDerWaalsContact OG1-CG 3.23Å; T58-E61 WeakPolarHBondContact OG1-CG 3.18Å; T58-E61 PolarHBondContact OG1-N 2.66Å; T58-E61 PolarHBondContact OG1-OE2 3.22Å; E61-L65 PolarHBondContact O-N 3.22Å; E61-L65 VanDerWaalsContact O-N 3.17Å
62	L	98.5	Very high	98	Very high	4 Å²	4	68.7 Å²	68.7	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-70.7	-39.6	176.6	-63.7	-177.9	0	0	0	112	I57 T58 E59 D60 L65 R66 W106 M362 L366	I57-L62 HydrophobicContact CG2-CD2 3.8Å; I57-L62 HydrophobicContact CG2-CG 3.97Å; T58-L62 PolarHBondContact O-N 2.98Å; E59-L62 PolarHBondContact O-N 3.39Å; D60-L62 VanDerWaalsContact C-N 3.32Å; D60-L62 PolarHBondContact O-N 3.47Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 2.82Å; L62-R66 WeakPolarHBondContact O-CG 3.4Å; L62-R66 PolarHBondContact O-N 3.43Å; L62-W106 HydrophobicContact CD1-CB 4.29Å; L62-W106 HydrophobicContact CD1-CG 4.27Å; L62-W106 HydrophobicContact CD2-CB 4.07Å; L62-W106 HydrophobicContact CD2-CG 3.78Å; L62-M362 HydrophobicContact CD2-CE 3.94Å; L62-L366 HydrophobicContact CD2-CD2 4.3Å
63	E	98.3	Very high	97.8	Very high	74 Å²	74	69.9 Å²	69.9	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-68.8	-37.8	177.8	-164.3	57.7	-148.7	0	0	111.2	E59 D60 L65 R66 D67 R70	E59-E63 WeakPolarHBondContact O-CB 3.21Å; E59-E63 PolarHBondContact O-N 3.22Å; D60-E63 PolarHBondContact O-N 3.01Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.13Å; E63-R66 PolarHBondContact O-N 3.14Å; E63-R66 WeakPolarHBondContact OE2-CD 3.36Å; E63-R66 IonicContact OE2-CZ 3.52Å; E63-R66 IonicContact OE2-NH1 2.77Å; E63-R66 PolarHBondContact OE2-NH1 3.38Å; E63-D67 WeakPolarHBondContact O-CB 3.29Å; E63-D67 PolarHBondContact O-N 3.29Å; E63-R70 IonicContact OE1-CZ 2.83Å; E63-R70 IonicContact OE1-NH1 2.88Å; E63-R70 PolarHBondContact OE1-NH1 3.44Å; E63-R70 IonicContact OE1-NH2 2.87Å; E63-R70 PolarHBondContact OE1-NH2 3.46Å
64	E	97.7	Very high	97.6	Very high	101 Å²	101	69.7 Å²	69.7	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-57.2	-46.1	171.3	-172.4	-170.8	159.3	0	0	111.1	D60 D67 R68	D60-E64 PolarHBondContact O-N 2.95Å; E64-D67 PolarHBondContact O-N 3.38Å; E64-R68 WeakPolarHBondContact O-CG 3.27Å; E64-R68 PolarHBondContact O-N 3.38Å; E64-R68 IonicContact OE1-CZ 3.68Å; E64-R68 IonicContact OE1-NE 3.16Å; E64-R68 PolarHBondContact OE1-NE 2.98Å; E64-R68 IonicContact OE1-NH2 3.75Å; E64-R68 PolarHBondContact OE1-NH2 3.19Å
65	L	98.4	Very high	97.3	Very high	6 Å²	6	69 Å²	69	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-50.5	175.8	168	62.8	0	0	0	111.4	E61 L62 E63 D67 R68 L69 W100 A321 M362 W365	E61-L65 PolarHBondContact O-N 3.22Å; E61-L65 VanDerWaalsContact O-N 3.17Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 2.82Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.13Å; L65-D67 PolarHBondContact O-N 3.17Å; L65-R68 PolarHBondContact O-N 3.42Å; L65-R68 VanDerWaalsContact O-N 3.15Å; L65-L69 HydrophobicContact CD1-CD1 3.83Å; L65-L69 HydrophobicContact CD1-CD2 4.38Å; L65-L69 HydrophobicContact CD1-CG 3.86Å; L65-L69 HydrophobicContact CG-CD1 3.93Å; L65-L69 HydrophobicContact CG-CG 4.37Å; L65-L69 WeakPolarHBondContact O-CG 3.21Å; L65-L69 PolarHBondContact O-N 3.28Å; L65-W100 HydrophobicContact CD1-CH2 3.99Å; L65-W100 HydrophobicContact CD1-CZ2 3.66Å; L65-W100 HydrophobicContact CD2-CZ2 3.79Å; L65-W100 HydrophobicContact CG-CZ2 4.3Å; L65-A321 HydrophobicContact CD1-CB 3.63Å; L65-M362 HydrophobicContact CD2-CE 3.75Å; L65-M362 HydrophobicContact CD2-SD 3.34Å; L65-M362 WeakPolarHBondContact CD2-SD 3.44Å; L65-W365 HydrophobicContact CD1-CD2 4.22Å; L65-W365 HydrophobicContact CD1-CG 4.3Å; L65-W365 HydrophobicContact CD1-CZ2 4.29Å
66	R	98.5	Very high	96.8	Very high	77 Å²	77	78.3 Å²	78.3	29%	0.291	40%	0.4	S	S	.	.	H	α-helix	trans	-57.1	-41.2	179.1	-70.5	173.8	-164	123.6	2.7	110.9	E59 L62 E63 L69 R70 L101	E59-R66 IonicContact OE2-NH1 2.9Å; E59-R66 IonicContact OE2-NH2 3.85Å; L62-R66 WeakPolarHBondContact O-CG 3.4Å; L62-R66 PolarHBondContact O-N 3.43Å; E63-R66 PolarHBondContact O-N 3.14Å; E63-R66 WeakPolarHBondContact OE2-CD 3.36Å; E63-R66 IonicContact OE2-CZ 3.52Å; E63-R66 IonicContact OE2-NH1 2.77Å; E63-R66 PolarHBondContact OE2-NH1 3.38Å; R66-L69 PolarHBondContact O-N 3Å; R66-R70 VanDerWaalsContact O-CG 3.29Å; R66-R70 WeakPolarHBondContact O-CG 3.31Å; R66-R70 PolarHBondContact O-N 3.09Å; R66-L101 HydrophobicContact CB-CD2 4.26Å
67	D	98.2	Very high	96.4	Very high	56 Å²	56	76.6 Å²	76.6	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-43.3	177.3	-108.9	27.5	0	0	0	113.2	E63 E64 L65 R70 K71	E63-D67 WeakPolarHBondContact O-CB 3.29Å; E63-D67 PolarHBondContact O-N 3.29Å; E64-D67 PolarHBondContact O-N 3.38Å; L65-D67 PolarHBondContact O-N 3.17Å; D67-R70 PolarHBondContact O-N 2.93Å; D67-R70 IonicContact OD1-NH1 3.56Å; D67-R70 PolarHBondContact OD1-NH1 3.33Å; D67-K71 WeakPolarHBondContact O-CB 3.23Å; D67-K71 WeakPolarHBondContact O-CG 3.31Å; D67-K71 PolarHBondContact O-N 3.14Å; D67-K71 VanDerWaalsContact O-N 3.1Å; D67-K71 IonicContact OD2-NZ 2.68Å; D67-K71 PolarHBondContact OD2-NZ 3.39Å
68	R	97.9	Very high	96.1	Very high	83 Å²	83	81.3 Å²	81.3	31%	0.313	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-40	174.9	-72.8	177.5	-178.3	-88.9	-1.5	112	E64 L65 K71 A72 D319	E64-R68 WeakPolarHBondContact O-CG 3.27Å; E64-R68 PolarHBondContact O-N 3.38Å; E64-R68 IonicContact OE1-CZ 3.68Å; E64-R68 IonicContact OE1-NE 3.16Å; E64-R68 PolarHBondContact OE1-NE 2.98Å; E64-R68 IonicContact OE1-NH2 3.75Å; E64-R68 PolarHBondContact OE1-NH2 3.19Å; L65-R68 PolarHBondContact O-N 3.42Å; L65-R68 VanDerWaalsContact O-N 3.15Å; R68-K71 PolarHBondContact O-N 3.36Å; R68-A72 PolarHBondContact O-N 2.96Å; R68-D319 IonicContact CZ-OD1 2.93Å; R68-D319 PolarHBondContact NH1-O 3.37Å; R68-D319 IonicContact NH1-OD1 2.86Å; R68-D319 PolarHBondContact NH1-OD1 2.93Å; R68-D319 IonicContact NH2-OD1 2.6Å
69	L	98.4	Very high	95.8	Very high	1 Å²	1	87.3 Å²	87.3	1%	0.005	44%	0.44	C	S	.	.	H	α-helix	trans	-64	-46.7	175.8	-69.2	172.5	0	0	0	111.3	L65 R66 K71 A72 R97 W100 L101 A321 V322	L65-L69 HydrophobicContact CD1-CD1 3.83Å; L65-L69 HydrophobicContact CD1-CD2 4.38Å; L65-L69 HydrophobicContact CD1-CG 3.86Å; L65-L69 HydrophobicContact CG-CD1 3.93Å; L65-L69 HydrophobicContact CG-CG 4.37Å; L65-L69 WeakPolarHBondContact O-CG 3.21Å; L65-L69 PolarHBondContact O-N 3.28Å; R66-L69 PolarHBondContact O-N 3Å; L69-K71 VanDerWaalsContact C-N 3.26Å; L69-K71 PolarHBondContact O-N 3.23Å; L69-A72 WeakPolarHBondContact O-CB 3.31Å; L69-A72 PolarHBondContact O-N 3.47Å; L69-A72 VanDerWaalsContact O-N 3.13Å; L69-R97 HydrophobicContact CB-CG 4.34Å; L69-R97 HydrophobicContact CD2-CG 4.19Å; L69-R97 WeakPolarHBondContact O-CD 3.23Å; L69-W100 HydrophobicContact CD1-CB 4.36Å; L69-W100 HydrophobicContact CD1-CD2 3.68Å; L69-W100 HydrophobicContact CD1-CE3 4.08Å; L69-W100 HydrophobicContact CD1-CG 3.8Å; L69-W100 HydrophobicContact CD2-CD2 4.04Å; L69-W100 HydrophobicContact CD2-CE3 3.52Å; L69-W100 HydrophobicContact CD2-CH2 4.38Å; L69-W100 HydrophobicContact CD2-CZ3 3.72Å; L69-W100 HydrophobicContact CG-CE3 4.44Å; L69-L101 HydrophobicContact CB-CD1 3.97Å; L69-L101 HydrophobicContact CB-CD2 3.56Å; L69-L101 HydrophobicContact CB-CG 3.68Å; L69-L101 HydrophobicContact CD1-CD2 4.05Å; L69-L101 HydrophobicContact CD1-CG 4.12Å; L69-L101 HydrophobicContact CG-CD2 4.48Å; L69-A321 HydrophobicContact CD2-CB 3.87Å; L69-A321 HydrophobicContact CG-CB 4.44Å; L69-V322 HydrophobicContact CD2-CG2 3.77Å
70	R	98.3	Very high	95.3	Very high	129 Å²	129	85.6 Å²	85.6	49%	0.487	45%	0.448	S	S	.	.	H	α-helix	trans	-58.3	-38.6	176.9	-72.1	171.3	-165.4	137.6	0.7	112.2	E63 R66 D67 A72 L101	E63-R70 IonicContact OE1-CZ 2.83Å; E63-R70 IonicContact OE1-NH1 2.88Å; E63-R70 PolarHBondContact OE1-NH1 3.44Å; E63-R70 IonicContact OE1-NH2 2.87Å; E63-R70 PolarHBondContact OE1-NH2 3.46Å; R66-R70 VanDerWaalsContact O-CG 3.29Å; R66-R70 WeakPolarHBondContact O-CG 3.31Å; R66-R70 PolarHBondContact O-N 3.09Å; D67-R70 PolarHBondContact O-N 2.93Å; D67-R70 IonicContact OD1-NH1 3.56Å; D67-R70 PolarHBondContact OD1-NH1 3.33Å; R70-A72 VanDerWaalsContact C-N 3.33Å; R70-L101 HydrophobicContact CG-CD1 4.26Å; R70-L101 HydrophobicContact CG-CD2 3.97Å
71	K	97.3	Very high	94.9	Very high	146 Å²	146	80 Å²	80	64%	0.635	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2	-178.4	-65.2	167.1	-172.7	155.1	0	113.4	D67 R68 L69 T73	D67-K71 WeakPolarHBondContact O-CB 3.23Å; D67-K71 WeakPolarHBondContact O-CG 3.31Å; D67-K71 PolarHBondContact O-N 3.14Å; D67-K71 VanDerWaalsContact O-N 3.1Å; D67-K71 IonicContact OD2-NZ 2.68Å; D67-K71 PolarHBondContact OD2-NZ 3.39Å; R68-K71 PolarHBondContact O-N 3.36Å; L69-K71 VanDerWaalsContact C-N 3.26Å; L69-K71 PolarHBondContact O-N 3.23Å; K71-T73 PolarHBondContact O-N 3.28Å
72	A	96.8	Very high	94.5	Very high	22 Å²	22	79.8 Å²	79.8	18%	0.182	42%	0.423	C	S	.	.			trans	-62.4	127.8	-175.6	0	0	0	0	0	112	R68 L69 R70 F74 V322	R68-A72 PolarHBondContact O-N 2.96Å; L69-A72 WeakPolarHBondContact O-CB 3.31Å; L69-A72 PolarHBondContact O-N 3.47Å; L69-A72 VanDerWaalsContact O-N 3.13Å; R70-A72 VanDerWaalsContact C-N 3.33Å; A72-F74 HydrophobicContact CB-CE2 4.26Å; A72-V322 HydrophobicContact CB-CB 4.37Å; A72-V322 HydrophobicContact CB-CG2 3.63Å
73	T	95.5	Very high	94.4	Very high	136 Å²	136	81.4 Å²	81.4	83%	0.834	43%	0.431	S	S	*	.			trans	-102.9	143.5	173.8	55.2	0	0	0	0	110.5	K71	K71-T73 PolarHBondContact O-N 3.28Å
74	F	94.8	Very high	94.3	Very high	48 Å²	48	78 Å²	78	21%	0.211	42%	0.415	C	S	.	.			trans	-116.4	140.9	-177.3	-64.3	-100.3	0	0	0	110.5	A72 T90 L93 K94 R97 V322	A72-F74 HydrophobicContact CB-CE2 4.26Å; F74-T90 HydrophobicContact CB-CG2 3.78Å; F74-T90 HydrophobicContact CD1-CG2 3.92Å; F74-T90 HydrophobicContact CG-CG2 4.17Å; F74-L93 HydrophobicContact CD1-CB 4.4Å; F74-L93 HydrophobicContact CE1-CB 3.8Å; F74-K94 HydrophobicContact CD1-CG 4.04Å; F74-K94 HydrophobicContact CD2-CG 4.05Å; F74-K94 HydrophobicContact CE1-CG 3.78Å; F74-K94 HydrophobicContact CE2-CG 3.85Å; F74-K94 HydrophobicContact CG-CG 4.15Å; F74-K94 HydrophobicContact CZ-CB 4.44Å; F74-K94 HydrophobicContact CZ-CG 3.69Å; F74-R97 HydrophobicContact CZ-CB 4.36Å; F74-V322 HydrophobicContact CD1-CG1 4.39Å; F74-V322 HydrophobicContact CE1-CG1 3.54Å; F74-V322 HydrophobicContact CZ-CG1 3.84Å; F74-V322 HydrophobicContact CZ-CG2 4.49Å
75	A	90.5	Very high	94.1	Very high	81 Å²	81	78.6 Å²	78.6	67%	0.669	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-68.9	147.5	168.3	0	0	0	0	0	110.6
76	E	87.9	Confident	93.9	Very high	197 Å²	197	84.7 Å²	84.7	92%	0.921	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-71.9	133.3	172.9	-65.6	-172.8	159.4	0	0	110.1
77	S	88.7	Confident	93.7	Very high	60 Å²	60	82.1 Å²	82.1	42%	0.42	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-82.1	152.9	172.1	-59.7	0	0	0	0	110.2	T90	S77-T90 WeakPolarHBondContact OG-CB 3.4Å; S77-T90 PolarHBondContact OG-OG1 2.91Å; S77-T90 VanDerWaalsContact OG-OG1 3.07Å
78	V	91.4	Very high	93.6	Very high	109 Å²	109	80.4 Å²	80.4	66%	0.661	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-57.2	141.3	170.8	179.4	0	0	0	0	109.6	G80 A81	V78-G80 PolarHBondContact O-N 3.4Å; V78-A81 HydrophobicContact CB-CB 4.08Å; V78-A81 WeakPolarHBondContact O-CB 3.09Å; V78-A81 PolarHBondContact O-N 2.84Å
79	E	89.9	Confident	93.4	Very high	196 Å²	196	76.8 Å²	76.8	92%	0.916	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	126.9	177.9	-171.2	178.7	177.9	0	0	110.8	A81	E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.4Å
80	G	87.4	Confident	93.2	Very high	60 Å²	60	77.9 Å²	77.9	62%	0.619	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-15.8	-177.8	0	0	0	0	0	115.4	V78 N82	V78-G80 PolarHBondContact O-N 3.4Å; G80-N82 VanDerWaalsContact C-N 3.3Å; G80-N82 PolarHBondContact O-N 2.81Å; G80-N82 PolarHBondContact O-ND2 2.79Å
81	A	90.4	Very high	93	Very high	21 Å²	21	78.2 Å²	78.2	17%	0.174	44%	0.44	C	S	.	.			trans	-74.5	82.1	175.2	0	0	0	0	0	110.5	V78 E79 N89	V78-A81 HydrophobicContact CB-CB 4.08Å; V78-A81 WeakPolarHBondContact O-CB 3.09Å; V78-A81 PolarHBondContact O-N 2.84Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.4Å; A81-N89 PolarHBondContact O-ND2 3.46Å
82	N	90.4	Very high	93	Very high	69 Å²	69	71.9 Å²	71.9	37%	0.369	41%	0.413	S	S	.	.			trans	-107.5	7.4	-176.6	-65.3	-58.9	0	0	0	113.3	G80 N89 K91 P344	G80-N82 VanDerWaalsContact C-N 3.3Å; G80-N82 PolarHBondContact O-N 2.81Å; G80-N82 PolarHBondContact O-ND2 2.79Å; N82-N89 VanDerWaalsContact CA-ND2 3.31Å; N82-N89 WeakPolarHBondContact CA-ND2 3.41Å; N82-N89 PolarHBondContact O-ND2 3.22Å; N82-K91 WeakPolarHBondContact OD1-CE 3.44Å; N82-K91 PolarHBondContact OD1-NZ 3.18Å; N82-P344 WeakPolarHBondContact O-CA 3.39Å; N82-P344 VanDerWaalsContact O-CB 3.23Å; N82-P344 WeakPolarHBondContact O-CB 3.39Å
83	D	95.5	Very high	93	Very high	38 Å²	38	71.4 Å²	71.4	20%	0.203	41%	0.407	C	S	.	.	S	Bend	trans	-112	-164.2	177.6	62.8	30.6	0	0	0	111.1	Q85 N89 R341	D83-Q85 WeakPolarHBondContact OD1-CB 3.44Å; D83-Q85 WeakPolarHBondContact OD1-CG 3.4Å; D83-Q85 PolarHBondContact OD1-N 2.87Å; D83-Q85 PolarHBondContact OD2-NE2 2.8Å; D83-N89 PolarHBondContact N-ND2 3.15Å; D83-N89 WeakPolarHBondContact O-CB 3.49Å; D83-N89 PolarHBondContact O-ND2 3Å; D83-R341 WeakPolarHBondContact CB-O 3.23Å
84	F	96	Very high	93	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.009	39%	0.387	C	S	.	.	S	Bend	trans	-103.1	9.7	-178	-93.5	-125.5	0	0	0	113.2	D86 G87 A88 N89 F92 R341 D345 G346 L348	F84-D86 PolarHBondContact O-N 3.17Å; F84-G87 CarbonylContact C-O 3.49Å; F84-G87 WeakPolarHBondContact CA-O 3.49Å; F84-G87 PolarHBondContact O-N 3.3Å; F84-A88 HydrophobicContact CE1-CB 4.12Å; F84-A88 HydrophobicContact CZ-CB 4.41Å; F84-N89 HydrophobicContact CD2-CB 3.62Å; F84-N89 HydrophobicContact CE2-CB 3.47Å; F84-N89 VanDerWaalsContact CE2-CB 3.47Å; F84-N89 HydrophobicContact CZ-CB 4.48Å; F84-F92 HydrophobicContact CE2-CB 4.14Å; F84-F92 HydrophobicContact CE2-CD1 4.33Å; F84-F92 HydrophobicContact CE2-CG 4.3Å; F84-F92 HydrophobicContact CZ-CB 4.48Å; F84-F92 AromaticContact CZ-CD1 3.85Å; F84-F92 HydrophobicContact CZ-CD1 3.85Å; F84-F92 HydrophobicContact CZ-CE1 4.43Å; F84-F92 HydrophobicContact CZ-CG 4.27Å; F84-R341 CarbonylContact C-O 3.32Å; F84-R341 WeakPolarHBondContact CA-O 3.41Å; F84-R341 HydrophobicContact CB-CB 4.47Å; F84-R341 PolarHBondContact N-O 3.34Å; F84-D345 VanDerWaalsContact CE2-C 3.47Å; F84-G346 VanDerWaalsContact CD2-CA 3.48Å; F84-G346 VanDerWaalsContact CD2-N 3.31Å; F84-L348 HydrophobicContact CE1-CD1 4.12Å; F84-L348 HydrophobicContact CZ-CD1 4Å
85	Q	94.2	Very high	93.2	Very high	113 Å²	113	71.9 Å²	71.9	53%	0.528	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.8	-176.3	-68.8	-172.8	85.8	0	0	112.9	D83 R341 L342	D83-Q85 WeakPolarHBondContact OD1-CB 3.44Å; D83-Q85 WeakPolarHBondContact OD1-CG 3.4Å; D83-Q85 PolarHBondContact OD1-N 2.87Å; D83-Q85 PolarHBondContact OD2-NE2 2.8Å; Q85-R341 HydrophobicContact CG-CB 4.44Å; Q85-R341 WeakPolarHBondContact CG-O 3.45Å; Q85-R341 PolarHBondContact N-O 2.82Å; Q85-R341 VanDerWaalsContact N-O 3.11Å; Q85-L342 HydrophobicContact CG-CD2 3.9Å
86	D	93.8	Very high	93.5	Very high	134 Å²	134	68.1 Å²	68.1	72%	0.717	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	15	176.4	-64.3	-29.4	0	0	0	112.6	F84	F84-D86 PolarHBondContact O-N 3.17Å
87	G	94.7	Very high	94	Very high	23 Å²	23	61 Å²	61	24%	0.237	33%	0.331	C	S	.	.	S	Bend	trans	100.5	-167.7	-173.2	0	0	0	0	0	112.7	F84 N89	F84-G87 CarbonylContact C-O 3.49Å; F84-G87 WeakPolarHBondContact CA-O 3.49Å; F84-G87 PolarHBondContact O-N 3.3Å; G87-N89 PolarHBondContact O-N 3.46Å
88	A	95.3	Very high	94.5	Very high	21 Å²	21	61 Å²	61	17%	0.174	33%	0.326	C	S	.	.	S	Bend	trans	-57.9	123.5	-173.7	0	0	0	0	0	112.6	F84 T90 L93 A326 E330	F84-A88 HydrophobicContact CE1-CB 4.12Å; F84-A88 HydrophobicContact CZ-CB 4.41Å; A88-T90 PolarHBondContact O-N 2.84Å; A88-L93 HydrophobicContact CB-CD1 3.86Å; A88-L93 HydrophobicContact CB-CD2 4.1Å; A88-L93 HydrophobicContact CB-CG 4.1Å; A88-A326 HydrophobicContact CB-CB 4.08Å; A88-E330 HydrophobicContact CB-CB 4.41Å
89	N	95	Very high	94.8	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.037	30%	0.303	C	S	.	.			trans	-65.2	126.6	-175.4	-171.1	-83.3	0	0	0	112.1	A81 N82 D83 F84 G87 K91 F92 L93	A81-N89 PolarHBondContact O-ND2 3.46Å; N82-N89 VanDerWaalsContact CA-ND2 3.31Å; N82-N89 WeakPolarHBondContact CA-ND2 3.41Å; N82-N89 PolarHBondContact O-ND2 3.22Å; D83-N89 PolarHBondContact N-ND2 3.15Å; D83-N89 WeakPolarHBondContact O-CB 3.49Å; D83-N89 PolarHBondContact O-ND2 3Å; F84-N89 HydrophobicContact CD2-CB 3.62Å; F84-N89 HydrophobicContact CE2-CB 3.47Å; F84-N89 VanDerWaalsContact CE2-CB 3.47Å; F84-N89 HydrophobicContact CZ-CB 4.48Å; G87-N89 PolarHBondContact O-N 3.46Å; N89-K91 VanDerWaalsContact C-N 3.29Å; N89-K91 PolarHBondContact O-N 3.44Å; N89-K91 WeakPolarHBondContact OD1-CA 3.37Å; N89-K91 VanDerWaalsContact OD1-CB 3.26Å; N89-K91 WeakPolarHBondContact OD1-CB 3.26Å; N89-K91 PolarHBondContact OD1-N 3.08Å; N89-F92 HydrophobicContact CB-CB 4.12Å; N89-F92 WeakPolarHBondContact O-CB 3.42Å; N89-F92 PolarHBondContact O-N 2.92Å; N89-F92 VanDerWaalsContact O-N 3.1Å; N89-F92 PolarHBondContact OD1-N 2.68Å; N89-L93 WeakPolarHBondContact O-CG 3.45Å; N89-L93 PolarHBondContact O-N 3.48Å
90	T	94.1	Very high	95.2	Very high	23 Å²	23	48.5 Å²	48.5	14%	0.141	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-35.1	-178.6	-63	0	0	0	0	113.6	F74 S77 A88 L93 K94	F74-T90 HydrophobicContact CB-CG2 3.78Å; F74-T90 HydrophobicContact CD1-CG2 3.92Å; F74-T90 HydrophobicContact CG-CG2 4.17Å; S77-T90 WeakPolarHBondContact OG-CB 3.4Å; S77-T90 PolarHBondContact OG-OG1 2.91Å; S77-T90 VanDerWaalsContact OG-OG1 3.07Å; A88-T90 PolarHBondContact O-N 2.84Å; T90-L93 PolarHBondContact O-N 2.99Å; T90-K94 WeakPolarHBondContact O-CG 2.94Å; T90-K94 PolarHBondContact O-N 3.18Å
91	K	94.5	Very high	95.7	Very high	137 Å²	137	47 Å²	47	60%	0.596	24%	0.239	S	C	*	.	H	α-helix	trans	-67.4	-43.8	176.9	-64.3	176.8	175.1	171.5	0	110.5	N82 N89 K94 F95	N82-K91 WeakPolarHBondContact OD1-CE 3.44Å; N82-K91 PolarHBondContact OD1-NZ 3.18Å; N89-K91 VanDerWaalsContact C-N 3.29Å; N89-K91 PolarHBondContact O-N 3.44Å; N89-K91 WeakPolarHBondContact OD1-CA 3.37Å; N89-K91 VanDerWaalsContact OD1-CB 3.26Å; N89-K91 WeakPolarHBondContact OD1-CB 3.26Å; N89-K91 PolarHBondContact OD1-N 3.08Å; K91-K94 PolarHBondContact O-N 3.1Å; K91-F95 PolarHBondContact O-N 2.9Å
92	F	95.8	Very high	96.1	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.057	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-42.3	173.8	179.7	-95.3	0	0	0	111.7	F84 N89 K94 F95 F96 L329 D345 L348 L349	F84-F92 HydrophobicContact CE2-CB 4.14Å; F84-F92 HydrophobicContact CE2-CD1 4.33Å; F84-F92 HydrophobicContact CE2-CG 4.3Å; F84-F92 HydrophobicContact CZ-CB 4.48Å; F84-F92 AromaticContact CZ-CD1 3.85Å; F84-F92 HydrophobicContact CZ-CD1 3.85Å; F84-F92 HydrophobicContact CZ-CE1 4.43Å; F84-F92 HydrophobicContact CZ-CG 4.27Å; N89-F92 HydrophobicContact CB-CB 4.12Å; N89-F92 WeakPolarHBondContact O-CB 3.42Å; N89-F92 PolarHBondContact O-N 2.92Å; N89-F92 VanDerWaalsContact O-N 3.1Å; N89-F92 PolarHBondContact OD1-N 2.68Å; F92-K94 VanDerWaalsContact C-N 3.31Å; F92-K94 PolarHBondContact O-N 2.97Å; F92-F95 HydrophobicContact CD2-CD1 4.47Å; F92-F95 HydrophobicContact CE2-CD1 4.39Å; F92-F95 CarbonylContact O-C 3.55Å; F92-F95 WeakPolarHBondContact O-CA 3.29Å; F92-F95 WeakPolarHBondContact O-CB 3.48Å; F92-F95 PolarHBondContact O-N 3.45Å; F92-F95 VanDerWaalsContact O-N 3.11Å; F92-F96 HydrophobicContact CE1-CB 4.26Å; F92-F96 HydrophobicContact CE1-CD2 4.33Å; F92-F96 WeakPolarHBondContact O-CB 3.36Å; F92-F96 PolarHBondContact O-N 2.99Å; F92-L329 HydrophobicContact CE1-CD1 4.3Å; F92-D345 HydrophobicContact CD2-CB 3.72Å; F92-D345 HydrophobicContact CE2-CB 3.93Å; F92-L348 HydrophobicContact CD1-CD1 4.23Å; F92-L348 HydrophobicContact CE1-CD1 3.41Å; F92-L348 VanDerWaalsContact CE1-CD1 3.41Å; F92-L348 HydrophobicContact CZ-CB 4.24Å; F92-L348 HydrophobicContact CZ-CD1 3.65Å; F92-L349 HydrophobicContact CE2-CD1 4.36Å; F92-L349 HydrophobicContact CE2-CG 4.39Å
93	L	97	Very high	96.4	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-33.7	179.2	-69.6	171.2	0	0	0	113.3	F74 A88 N89 T90 F96 R97 A326 L329	F74-L93 HydrophobicContact CD1-CB 4.4Å; F74-L93 HydrophobicContact CE1-CB 3.8Å; A88-L93 HydrophobicContact CB-CD1 3.86Å; A88-L93 HydrophobicContact CB-CD2 4.1Å; A88-L93 HydrophobicContact CB-CG 4.1Å; N89-L93 WeakPolarHBondContact O-CG 3.45Å; N89-L93 PolarHBondContact O-N 3.48Å; T90-L93 PolarHBondContact O-N 2.99Å; L93-F96 PolarHBondContact O-N 3.38Å; L93-R97 WeakPolarHBondContact O-CB 3.48Å; L93-R97 PolarHBondContact O-N 3.46Å; L93-A326 HydrophobicContact CD1-CB 3.56Å; L93-A326 HydrophobicContact CD2-CB 3.86Å; L93-A326 HydrophobicContact CG-CB 4.37Å; L93-L329 HydrophobicContact CD2-CD1 4.31Å
94	K	96.9	Very high	96.6	Very high	94 Å²	94	55.7 Å²	55.7	41%	0.409	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-46.9	171.1	-72.9	174.3	-178.6	-179.6	0	110.9	F74 T90 K91 F92 F96 R97 D98	F74-K94 HydrophobicContact CD1-CG 4.04Å; F74-K94 HydrophobicContact CD2-CG 4.05Å; F74-K94 HydrophobicContact CE1-CG 3.78Å; F74-K94 HydrophobicContact CE2-CG 3.85Å; F74-K94 HydrophobicContact CG-CG 4.15Å; F74-K94 HydrophobicContact CZ-CB 4.44Å; F74-K94 HydrophobicContact CZ-CG 3.69Å; T90-K94 WeakPolarHBondContact O-CG 2.94Å; T90-K94 PolarHBondContact O-N 3.18Å; K91-K94 PolarHBondContact O-N 3.1Å; F92-K94 VanDerWaalsContact C-N 3.31Å; F92-K94 PolarHBondContact O-N 2.97Å; K94-F96 PolarHBondContact O-N 2.92Å; K94-R97 PolarHBondContact O-N 2.6Å; K94-D98 PolarHBondContact O-N 2.96Å
95	F	97.1	Very high	96.7	Very high	100 Å²	100	59.5 Å²	59.5	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-44	175	176.5	-108.5	0	0	0	112.2	K91 F92 D98 N99 L349 M354	K91-F95 PolarHBondContact O-N 2.9Å; F92-F95 HydrophobicContact CD2-CD1 4.47Å; F92-F95 HydrophobicContact CE2-CD1 4.39Å; F92-F95 CarbonylContact O-C 3.55Å; F92-F95 WeakPolarHBondContact O-CA 3.29Å; F92-F95 WeakPolarHBondContact O-CB 3.48Å; F92-F95 PolarHBondContact O-N 3.45Å; F92-F95 VanDerWaalsContact O-N 3.11Å; F95-D98 PolarHBondContact O-N 3.24Å; F95-N99 WeakPolarHBondContact CE2-ND2 3.24Å; F95-N99 VanDerWaalsContact CZ-ND2 3.25Å; F95-N99 WeakPolarHBondContact CZ-ND2 3.36Å; F95-N99 PolarHBondContact O-N 2.93Å; F95-N99 PolarHBondContact O-ND2 2.92Å; F95-L349 HydrophobicContact CE1-CD1 4.29Å; F95-M354 HydrophobicContact CD1-CE 3.81Å; F95-M354 HydrophobicContact CE1-CE 3.42Å; F95-M354 VanDerWaalsContact CE1-CE 3.42Å; F95-M354 HydrophobicContact CZ-CE 4.33Å
96	F	98.2	Very high	96.9	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-48.6	175.5	-176.9	-87.4	0	0	0	111.8	F92 L93 K94 D98 N99 W100 A325 L329 M354 L357 I358 V361	F92-F96 HydrophobicContact CE1-CB 4.26Å; F92-F96 HydrophobicContact CE1-CD2 4.33Å; F92-F96 WeakPolarHBondContact O-CB 3.36Å; F92-F96 PolarHBondContact O-N 2.99Å; L93-F96 PolarHBondContact O-N 3.38Å; K94-F96 PolarHBondContact O-N 2.92Å; F96-D98 VanDerWaalsContact C-N 3.29Å; F96-D98 PolarHBondContact O-N 3.45Å; F96-N99 PolarHBondContact O-N 3.18Å; F96-W100 HydrophobicContact CD1-CE3 4.21Å; F96-W100 HydrophobicContact CE1-CD2 4.38Å; F96-W100 AromaticContact CE1-CE3 3.65Å; F96-W100 HydrophobicContact CE1-CE3 3.65Å; F96-W100 HydrophobicContact CE1-CZ3 4.14Å; F96-W100 WeakPolarHBondContact O-CB 3.43Å; F96-W100 PolarHBondContact O-N 3.36Å; F96-A325 HydrophobicContact CD1-CB 4.14Å; F96-A325 HydrophobicContact CE1-CB 3.71Å; F96-A325 HydrophobicContact CZ-CB 4.46Å; F96-L329 HydrophobicContact CD1-CD1 4.05Å; F96-L329 HydrophobicContact CD2-CD1 3.57Å; F96-L329 HydrophobicContact CE1-CD1 4.01Å; F96-L329 HydrophobicContact CE2-CD1 3.53Å; F96-L329 HydrophobicContact CE2-CD2 3.96Å; F96-L329 HydrophobicContact CE2-CG 4.35Å; F96-L329 HydrophobicContact CG-CD1 3.83Å; F96-L329 HydrophobicContact CZ-CD1 3.74Å; F96-L329 HydrophobicContact CZ-CD2 4.29Å; F96-L329 HydrophobicContact CZ-CG 4.47Å; F96-M354 HydrophobicContact CD2-CE 4.44Å; F96-M354 HydrophobicContact CD2-SD 3.44Å; F96-M354 WeakPolarHBondContact CD2-SD 3.26Å; F96-M354 HydrophobicContact CE2-SD 3.83Å; F96-M354 HydrophobicContact CG-SD 4.34Å; F96-L357 HydrophobicContact CE2-CB 3.92Å; F96-I358 HydrophobicContact CD2-CG1 4.41Å; F96-I358 HydrophobicContact CE1-CG1 3.99Å; F96-I358 HydrophobicContact CE2-CG1 3.59Å; F96-I358 HydrophobicContact CZ-CB 4.17Å; F96-I358 HydrophobicContact CZ-CG1 3.36Å; F96-V361 HydrophobicContact CZ-CG2 4.18Å
97	R	98.3	Very high	97.1	Very high	48 Å²	48	51 Å²	51	18%	0.181	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-43.4	176	177.6	-152.8	61.2	-179.3	-3.1	111.4	L69 F74 L93 K94 W100 L101 V322	L69-R97 HydrophobicContact CB-CG 4.34Å; L69-R97 HydrophobicContact CD2-CG 4.19Å; L69-R97 WeakPolarHBondContact O-CD 3.23Å; F74-R97 HydrophobicContact CZ-CB 4.36Å; L93-R97 WeakPolarHBondContact O-CB 3.48Å; L93-R97 PolarHBondContact O-N 3.46Å; K94-R97 PolarHBondContact O-N 2.6Å; R97-W100 PolarHBondContact O-N 3.32Å; R97-L101 HydrophobicContact CG-CD1 4.11Å; R97-L101 WeakPolarHBondContact O-CB 3.34Å; R97-L101 PolarHBondContact O-N 3.1Å; R97-V322 HydrophobicContact CB-CG2 4.23Å; R97-V322 HydrophobicContact CG-CG2 4.02Å
98	D	98.3	Very high	97.2	Very high	59 Å²	59	55.6 Å²	55.6	32%	0.316	26%	0.26	S	S	.	.	H	α-helix	trans	-67.7	-41.4	-177.7	-64.3	-12.2	0	0	0	111.1	K94 F95 F96 W100 L101 H102	K94-D98 PolarHBondContact O-N 2.96Å; F95-D98 PolarHBondContact O-N 3.24Å; F96-D98 VanDerWaalsContact C-N 3.29Å; F96-D98 PolarHBondContact O-N 3.45Å; D98-W100 VanDerWaalsContact C-N 3.33Å; D98-W100 PolarHBondContact O-N 3.13Å; D98-L101 PolarHBondContact O-N 2.79Å; D98-H102 WeakPolarHBondContact O-CB 3.26Å; D98-H102 PolarHBondContact O-CD2 3.46Å; D98-H102 PolarHBondContact O-N 3.41Å
99	N	98.5	Very high	97.4	Very high	32 Å²	32	55.3 Å²	55.3	17%	0.171	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-41.7	171.7	-78.6	-96.9	0	0	0	111.6	F95 F96 L101 H102 E103 Y104 M354 I358	F95-N99 WeakPolarHBondContact CE2-ND2 3.24Å; F95-N99 VanDerWaalsContact CZ-ND2 3.25Å; F95-N99 WeakPolarHBondContact CZ-ND2 3.36Å; F95-N99 PolarHBondContact O-N 2.93Å; F95-N99 PolarHBondContact O-ND2 2.92Å; F96-N99 PolarHBondContact O-N 3.18Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 3.28Å; N99-H102 PolarHBondContact O-N 2.91Å; N99-E103 WeakPolarHBondContact O-CA 3.06Å; N99-E103 WeakPolarHBondContact O-CB 3.5Å; N99-E103 PolarHBondContact O-N 3.01Å; N99-Y104 PolarHBondContact O-N 3.17Å; N99-M354 HydrophobicContact CB-CE 4.38Å; N99-M354 HydrophobicContact CB-CG 3.84Å; N99-M354 HydrophobicContact CB-SD 4.33Å; N99-I358 HydrophobicContact CB-CD1 4.47Å
100	W	98.4	Very high	97.5	Very high	11 Å²	11	55.8 Å²	55.8	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-35.8	177.2	-167.8	3.2	0	0	0	112.7	L65 L69 F96 R97 D98 Y104 A321 A325 I358 V361 M362	L65-W100 HydrophobicContact CD1-CH2 3.99Å; L65-W100 HydrophobicContact CD1-CZ2 3.66Å; L65-W100 HydrophobicContact CD2-CZ2 3.79Å; L65-W100 HydrophobicContact CG-CZ2 4.3Å; L69-W100 HydrophobicContact CD1-CB 4.36Å; L69-W100 HydrophobicContact CD1-CD2 3.68Å; L69-W100 HydrophobicContact CD1-CE3 4.08Å; L69-W100 HydrophobicContact CD1-CG 3.8Å; L69-W100 HydrophobicContact CD2-CD2 4.04Å; L69-W100 HydrophobicContact CD2-CE3 3.52Å; L69-W100 HydrophobicContact CD2-CH2 4.38Å; L69-W100 HydrophobicContact CD2-CZ3 3.72Å; L69-W100 HydrophobicContact CG-CE3 4.44Å; F96-W100 HydrophobicContact CD1-CE3 4.21Å; F96-W100 HydrophobicContact CE1-CD2 4.38Å; F96-W100 AromaticContact CE1-CE3 3.65Å; F96-W100 HydrophobicContact CE1-CE3 3.65Å; F96-W100 HydrophobicContact CE1-CZ3 4.14Å; F96-W100 WeakPolarHBondContact O-CB 3.43Å; F96-W100 PolarHBondContact O-N 3.36Å; R97-W100 PolarHBondContact O-N 3.32Å; D98-W100 VanDerWaalsContact C-N 3.33Å; D98-W100 PolarHBondContact O-N 3.13Å; W100-Y104 AromaticContact CD1-CD1 3.8Å; W100-A321 HydrophobicContact CH2-CB 3.89Å; W100-A321 HydrophobicContact CZ3-CB 4.11Å; W100-A325 HydrophobicContact CZ3-CB 4.21Å; W100-I358 HydrophobicContact CB-CD1 3.93Å; W100-I358 HydrophobicContact CB-CG1 4.28Å; W100-I358 HydrophobicContact CB-CG2 4.38Å; W100-I358 HydrophobicContact CD2-CG2 3.96Å; W100-I358 HydrophobicContact CG-CD1 4.37Å; W100-I358 HydrophobicContact CG-CG1 4.37Å; W100-I358 HydrophobicContact CG-CG2 3.66Å; W100-V361 HydrophobicContact CH2-CB 4.31Å; W100-V361 HydrophobicContact CH2-CG1 3.44Å; W100-V361 VanDerWaalsContact CH2-CG1 3.44Å; W100-V361 HydrophobicContact CZ2-CG1 4.21Å; W100-V361 HydrophobicContact CZ3-CG1 3.87Å; W100-M362 HydrophobicContact CZ2-CG 4.17Å; W100-M362 HydrophobicContact CZ2-SD 3.47Å; W100-M362 WeakPolarHBondContact CZ2-SD 3.39Å; W100-M362 PolarHBondContact NE1-SD 3.4Å; W100-M362 VanDerWaalsContact NE1-SD 3.41Å
101	L	98	Very high	97.7	Very high	28 Å²	28	59.8 Å²	59.8	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-75.3	-33.8	178.2	-85.7	171.1	0	0	0	114.2	R66 L69 R70 R97 D98 N99	R66-L101 HydrophobicContact CB-CD2 4.26Å; L69-L101 HydrophobicContact CB-CD1 3.97Å; L69-L101 HydrophobicContact CB-CD2 3.56Å; L69-L101 HydrophobicContact CB-CG 3.68Å; L69-L101 HydrophobicContact CD1-CD2 4.05Å; L69-L101 HydrophobicContact CD1-CG 4.12Å; L69-L101 HydrophobicContact CG-CD2 4.48Å; R70-L101 HydrophobicContact CG-CD1 4.26Å; R70-L101 HydrophobicContact CG-CD2 3.97Å; R97-L101 HydrophobicContact CG-CD1 4.11Å; R97-L101 WeakPolarHBondContact O-CB 3.34Å; R97-L101 PolarHBondContact O-N 3.1Å; D98-L101 PolarHBondContact O-N 2.79Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 3.28Å
102	H	97.9	Very high	97.8	Very high	133 Å²	133	56.7 Å²	56.7	62%	0.616	27%	0.267	S	S	*	.	H	α-helix	trans	-119.9	-28.7	-161.8	-58.6	-50.2	0	0	0	114.6	D98 N99	D98-H102 WeakPolarHBondContact O-CB 3.26Å; D98-H102 PolarHBondContact O-CD2 3.46Å; D98-H102 PolarHBondContact O-N 3.41Å; N99-H102 PolarHBondContact O-N 2.91Å
103	E	97.8	Very high	97.9	Very high	151 Å²	151	56.1 Å²	56.1	71%	0.706	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-28.3	-173.1	-56.2	-63.1	152	0	0	112.5	N99	N99-E103 WeakPolarHBondContact O-CA 3.06Å; N99-E103 WeakPolarHBondContact O-CB 3.5Å; N99-E103 PolarHBondContact O-N 3.01Å
104	Y	98.4	Very high	97.9	Very high	27 Å²	27	57.7 Å²	57.7	11%	0.106	27%	0.273	C	S	.	.			trans	-78.2	122.8	-177	-178.8	-101.6	0	0	0	112.7	N99 W100 W106 E109 T355 I358 T359 M362	N99-Y104 PolarHBondContact O-N 3.17Å; W100-Y104 AromaticContact CD1-CD1 3.8Å; Y104-W106 HydrophobicContact CE1-CB 4.01Å; Y104-W106 HydrophobicContact CE1-CE3 4.11Å; Y104-E109 HydrophobicContact CE2-CG 3.77Å; Y104-T355 HydrophobicContact CD2-CG2 4.04Å; Y104-T355 HydrophobicContact CE2-CG2 3.81Å; Y104-I358 HydrophobicContact CD1-CG2 3.61Å; Y104-I358 HydrophobicContact CD2-CB 3.75Å; Y104-I358 HydrophobicContact CD2-CD1 4.02Å; Y104-I358 HydrophobicContact CD2-CG2 3.56Å; Y104-I358 HydrophobicContact CE1-CG2 3.67Å; Y104-I358 HydrophobicContact CE2-CB 3.81Å; Y104-I358 HydrophobicContact CE2-CG2 3.61Å; Y104-I358 HydrophobicContact CG-CB 4.19Å; Y104-I358 HydrophobicContact CG-CD1 4.12Å; Y104-I358 HydrophobicContact CG-CG2 3.55Å; Y104-T359 WeakPolarHBondContact CE2-OG1 3.45Å; Y104-T359 WeakPolarHBondContact OH-CA 3.34Å; Y104-T359 PolarHBondContact OH-OG1 3.36Å; Y104-M362 HydrophobicContact CE1-CE 4.28Å; Y104-M362 HydrophobicContact CE1-CG 3.84Å; Y104-M362 HydrophobicContact CE1-SD 4.44Å
105	D	98.1	Very high	97.9	Very high	83 Å²	83	60.1 Å²	60.1	44%	0.444	29%	0.286	S	S	.	.			trans	-103	103.9	173.3	-168.5	-17	0	0	0	111.2	R107 E108 E109	D105-R107 VanDerWaalsContact C-N 3.25Å; D105-R107 PolarHBondContact O-N 3.35Å; D105-R107 WeakPolarHBondContact OD1-CA 3.5Å; D105-R107 WeakPolarHBondContact OD1-CB 3.42Å; D105-R107 PolarHBondContact OD1-N 3.45Å; D105-E108 HydrophobicContact CB-CB 4.11Å; D105-E108 PolarHBondContact O-N 3.49Å; D105-E108 PolarHBondContact OD1-N 3.06Å; D105-E109 PolarHBondContact O-N 2.88Å
106	W	98.2	Very high	98	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-32.4	174.6	173.9	-100.6	0	0	0	112.7	I57 L62 Y104 E109 E110 L113 M362 L366	I57-W106 HydrophobicContact CG1-CZ2 3.57Å; L62-W106 HydrophobicContact CD1-CB 4.29Å; L62-W106 HydrophobicContact CD1-CG 4.27Å; L62-W106 HydrophobicContact CD2-CB 4.07Å; L62-W106 HydrophobicContact CD2-CG 3.78Å; Y104-W106 HydrophobicContact CE1-CB 4.01Å; Y104-W106 HydrophobicContact CE1-CE3 4.11Å; W106-E109 PolarHBondContact O-N 3.44Å; W106-E110 HydrophobicContact CZ2-CB 4.25Å; W106-E110 PolarHBondContact NE1-OE1 2.9Å; W106-E110 WeakPolarHBondContact O-CB 3.41Å; W106-E110 PolarHBondContact O-N 3.14Å; W106-L113 HydrophobicContact CH2-CD1 4.22Å; W106-M362 HydrophobicContact CB-CE 4.08Å; W106-M362 HydrophobicContact CD2-CE 3.53Å; W106-M362 HydrophobicContact CE3-CB 3.88Å; W106-M362 HydrophobicContact CE3-CE 3.35Å; W106-M362 HydrophobicContact CE3-CG 3.97Å; W106-M362 HydrophobicContact CG-CE 3.84Å; W106-M362 HydrophobicContact CH2-CB 4.38Å; W106-M362 HydrophobicContact CZ3-CB 3.5Å; W106-M362 HydrophobicContact CZ3-CE 4.09Å; W106-M362 HydrophobicContact CZ3-CG 4.12Å; W106-L366 HydrophobicContact CD2-CD1 3.97Å; W106-L366 HydrophobicContact CE3-CD1 4.07Å; W106-L366 HydrophobicContact CH2-CD1 3.4Å; W106-L366 HydrophobicContact CZ2-CD1 3.27Å; W106-L366 HydrophobicContact CZ3-CD1 3.81Å
107	R	98	Very high	98	Very high	59 Å²	59	59.5 Å²	59.5	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-70.5	-36.4	-176.8	-63.5	-63.6	177.4	-146.8	0.7	111.3	I57 E59 D105 E110 N111	I57-R107 VanDerWaalsContact O-CZ 3.23Å; I57-R107 PolarHBondContact O-NH1 2.89Å; I57-R107 PolarHBondContact O-NH2 3.49Å; E59-R107 VanDerWaalsContact CD-NH2 3.33Å; E59-R107 IonicContact OE1-CZ 3.84Å; E59-R107 IonicContact OE1-NE 3.35Å; E59-R107 PolarHBondContact OE1-NE 3.4Å; E59-R107 IonicContact OE1-NH2 2.74Å; E59-R107 PolarHBondContact OE1-NH2 3.28Å; D105-R107 VanDerWaalsContact C-N 3.25Å; D105-R107 PolarHBondContact O-N 3.35Å; D105-R107 WeakPolarHBondContact OD1-CA 3.5Å; D105-R107 WeakPolarHBondContact OD1-CB 3.42Å; D105-R107 PolarHBondContact OD1-N 3.45Å; R107-E110 IonicContact CZ-OE2 3.37Å; R107-E110 IonicContact NH1-OE1 3.75Å; R107-E110 PolarHBondContact NH1-OE1 3.47Å; R107-E110 IonicContact NH1-OE2 3.46Å; R107-E110 PolarHBondContact NH1-OE2 3.32Å; R107-N111 WeakPolarHBondContact O-CB 3.36Å; R107-N111 PolarHBondContact O-N 2.95Å; R107-N111 PolarHBondContact O-ND2 2.74Å
108	E	97.9	Very high	98	Very high	120 Å²	120	57.5 Å²	57.5	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-61.4	-49.3	171.2	-172	173.4	176.9	0	0	110.7	D105 E110 N111 L112	D105-E108 HydrophobicContact CB-CB 4.11Å; D105-E108 PolarHBondContact O-N 3.49Å; D105-E108 PolarHBondContact OD1-N 3.06Å; E108-E110 PolarHBondContact O-N 3.17Å; E108-N111 WeakPolarHBondContact O-CB 3.31Å; E108-N111 PolarHBondContact O-N 2.95Å; E108-L112 HydrophobicContact CG-CD1 4.28Å; E108-L112 WeakPolarHBondContact O-CG 3.44Å; E108-L112 PolarHBondContact O-N 3.21Å
109	E	97.8	Very high	98	Very high	15 Å²	15	57.5 Å²	57.5	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-38.8	179.5	-69.6	-69.2	120.5	0	0	112.8	Y104 D105 W106 N111 L112 L113 T355 T359	Y104-E109 HydrophobicContact CE2-CG 3.77Å; D105-E109 PolarHBondContact O-N 2.88Å; W106-E109 PolarHBondContact O-N 3.44Å; E109-N111 VanDerWaalsContact C-N 3.32Å; E109-N111 PolarHBondContact O-N 3.45Å; E109-L112 PolarHBondContact O-N 2.95Å; E109-L113 WeakPolarHBondContact O-CB 3.13Å; E109-L113 WeakPolarHBondContact O-CG 3.26Å; E109-L113 PolarHBondContact O-N 3.22Å; E109-T355 HydrophobicContact CG-CG2 3.8Å; E109-T355 WeakPolarHBondContact OE1-CG2 3.39Å; E109-T359 WeakPolarHBondContact CG-OG1 3.35Å; E109-T359 PolarHBondContact OE2-OG1 3.01Å
110	E	98	Very high	98	Very high	17 Å²	17	56.6 Å²	56.6	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-41.8	174.9	-177.7	174	-111.8	0	0	111.3	L55 S56 I57 W106 R107 E108 N114	L55-E110 HydrophobicContact CB-CG 4.38Å; S56-E110 WeakPolarHBondContact CA-OE1 3.43Å; I57-E110 WeakPolarHBondContact CB-OE1 3.31Å; I57-E110 WeakPolarHBondContact CG1-OE1 3.42Å; I57-E110 PolarHBondContact N-OE1 2.75Å; W106-E110 HydrophobicContact CZ2-CB 4.25Å; W106-E110 PolarHBondContact NE1-OE1 2.9Å; W106-E110 WeakPolarHBondContact O-CB 3.41Å; W106-E110 PolarHBondContact O-N 3.14Å; R107-E110 IonicContact CZ-OE2 3.37Å; R107-E110 IonicContact NH1-OE1 3.75Å; R107-E110 PolarHBondContact NH1-OE1 3.47Å; R107-E110 IonicContact NH1-OE2 3.46Å; R107-E110 PolarHBondContact NH1-OE2 3.32Å; E108-E110 PolarHBondContact O-N 3.17Å; E110-N114 VanDerWaalsContact O-CB 3.31Å; E110-N114 WeakPolarHBondContact O-CB 3.19Å; E110-N114 PolarHBondContact O-N 3.2Å; E110-N114 PolarHBondContact O-ND2 3.45Å
111	N	97.9	Very high	98	Very high	108 Å²	108	56.2 Å²	56.2	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-64.3	-47	174.6	-72.5	-33.9	0	0	0	111.3	R107 E108 E109 L113 N114 E115	R107-N111 WeakPolarHBondContact O-CB 3.36Å; R107-N111 PolarHBondContact O-N 2.95Å; R107-N111 PolarHBondContact O-ND2 2.74Å; E108-N111 WeakPolarHBondContact O-CB 3.31Å; E108-N111 PolarHBondContact O-N 2.95Å; E109-N111 VanDerWaalsContact C-N 3.32Å; E109-N111 PolarHBondContact O-N 3.45Å; N111-L113 PolarHBondContact O-N 3.02Å; N111-N114 PolarHBondContact O-N 2.84Å; N111-E115 PolarHBondContact O-N 3.36Å
112	L	96.7	Very high	98.1	Very high	72 Å²	72	58 Å²	58	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-42.1	178.6	-72.1	171.7	0	0	0	112.2	E108 E109 E115	E108-L112 HydrophobicContact CG-CD1 4.28Å; E108-L112 WeakPolarHBondContact O-CG 3.44Å; E108-L112 PolarHBondContact O-N 3.21Å; E109-L112 PolarHBondContact O-N 2.95Å; L112-E115 WeakPolarHBondContact O-CB 3.19Å; L112-E115 PolarHBondContact O-N 3.3Å
113	L	97.4	Very high	98.1	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-44.6	176.4	-69	173.3	0	0	0	110.7	L55 W106 E109 N111 E115 L116 H118 M157 T359	L55-L113 HydrophobicContact CD1-CB 3.54Å; L55-L113 HydrophobicContact CD1-CD1 4.1Å; L55-L113 HydrophobicContact CD1-CG 4.45Å; W106-L113 HydrophobicContact CH2-CD1 4.22Å; E109-L113 WeakPolarHBondContact O-CB 3.13Å; E109-L113 WeakPolarHBondContact O-CG 3.26Å; E109-L113 PolarHBondContact O-N 3.22Å; N111-L113 PolarHBondContact O-N 3.02Å; L113-E115 PolarHBondContact O-N 3.4Å; L113-L116 PolarHBondContact O-N 3.46Å; L113-H118 PolarHBondContact O-NE2 3.34Å; L113-M157 HydrophobicContact CD2-CB 3.88Å; L113-M157 HydrophobicContact CD2-CG 3.9Å; L113-M157 HydrophobicContact CD2-SD 3.91Å; L113-T359 HydrophobicContact CD1-CG2 4.32Å
114	N	97.9	Very high	98	Very high	44 Å²	44	44.9 Å²	44.9	24%	0.235	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.5	177.9	-78.3	-46.5	0	0	0	114.8	L55 E110 N111 L116	L55-N114 WeakPolarHBondContact CB-OD1 3.36Å; L55-N114 PolarHBondContact N-OD1 3.1Å; L55-N114 PolarHBondContact O-ND2 2.92Å; E110-N114 VanDerWaalsContact O-CB 3.31Å; E110-N114 WeakPolarHBondContact O-CB 3.19Å; E110-N114 PolarHBondContact O-N 3.2Å; E110-N114 PolarHBondContact O-ND2 3.45Å; N111-N114 PolarHBondContact O-N 2.84Å; N114-L116 PolarHBondContact O-N 3.12Å
115	E	97.3	Very high	98	Very high	144 Å²	144	44.5 Å²	44.5	67%	0.673	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.3	169.3	-65.8	-171.3	169	0	0	112.3	N111 L112 L113	N111-E115 PolarHBondContact O-N 3.36Å; L112-E115 WeakPolarHBondContact O-CB 3.19Å; L112-E115 PolarHBondContact O-N 3.3Å; L113-E115 PolarHBondContact O-N 3.4Å
116	L	98	Very high	98	Very high	18 Å²	18	40.6 Å²	40.6	9%	0.094	20%	0.201	C	C	.	.	S	Bend	trans	-84.1	151.8	172.7	-60.6	177.4	0	0	0	110.6	L113 N114 H118 I131 R160 I163	L113-L116 PolarHBondContact O-N 3.46Å; N114-L116 PolarHBondContact O-N 3.12Å; L116-H118 PolarHBondContact O-CD2 3.45Å; L116-H118 PolarHBondContact O-N 2.85Å; L116-I131 HydrophobicContact CB-CG2 3.96Å; L116-I131 HydrophobicContact CD1-CD1 3.96Å; L116-I131 HydrophobicContact CD1-CG2 4.39Å; L116-R160 HydrophobicContact CD1-CB 4.13Å; L116-I163 HydrophobicContact CD1-CD1 4Å; L116-I163 HydrophobicContact CD2-CB 4.38Å; L116-I163 HydrophobicContact CD2-CG2 3.85Å
117	N	98.4	Very high	98	Very high	71 Å²	71	45.1 Å²	45.1	38%	0.38	22%	0.22	S	C	.	.			trans	-83.9	105.7	178.9	-65.3	-69.8	0	0	0	110.9	Y119 I131 H132 Q133	N117-Y119 HydrophobicContact CB-CE2 3.65Å; N117-Y119 WeakPolarHBondContact O-CE2 3.46Å; N117-I131 CarbonylContact O-C 3.59Å; N117-I131 WeakPolarHBondContact O-CA 3.2Å; N117-H132 WeakPolarHBondContact CB-O 3.43Å; N117-H132 PolarHBondContact O-N 2.87Å; N117-Q133 PolarHBondContact ND2-NE2 2.95Å; N117-Q133 PolarHBondContact ND2-OE1 3.03Å
118	H	98.7	Very high	98	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	146.8	176.4	-55.5	-97.4	0	0	0	112.4	F53 L113 L116 H129	F53-H118 HydrophobicContact CB-CB 4.05Å; F53-H118 HydrophobicContact CD1-CB 3.83Å; F53-H118 HydrophobicContact CG-CB 4.45Å; F53-H118 PolarHBondContact N-O 3.37Å; F53-H118 WeakPolarHBondContact O-CB 3.3Å; L113-H118 PolarHBondContact O-NE2 3.34Å; L116-H118 PolarHBondContact O-CD2 3.45Å; L116-H118 PolarHBondContact O-N 2.85Å; H118-H129 AromaticContact CG-NE2 3.72Å; H118-H129 AromaticContact ND1-CE1 3.62Å; H118-H129 AromaticContact ND1-NE2 2.95Å; H118-H129 PolarHBondContact ND1-NE2 2.89Å
119	Y	98.9	Very high	98.1	Very high	59 Å²	59	36.6 Å²	36.6	23%	0.231	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162	178.2	-58.8	-88.3	0	0	0	111.3	I50 R51 N117 H129 F130 H132	I50-Y119 HydrophobicContact CG2-CD1 3.76Å; I50-Y119 HydrophobicContact CG2-CG 4.03Å; R51-Y119 CarbonylContact O-C 3.4Å; R51-Y119 WeakPolarHBondContact O-CA 3.31Å; N117-Y119 HydrophobicContact CB-CE2 3.65Å; N117-Y119 WeakPolarHBondContact O-CE2 3.46Å; Y119-H129 WeakPolarHBondContact O-CA 3.45Å; Y119-F130 VanDerWaalsContact CB-CZ 3.43Å; Y119-F130 HydrophobicContact CD2-CE2 4.05Å; Y119-F130 HydrophobicContact CG-CE2 4.17Å; Y119-F130 HydrophobicContact CG-CZ 4.19Å; Y119-F130 PolarHBondContact N-O 3.38Å; Y119-F130 PolarHBondContact O-N 2.81Å; Y119-H132 HydrophobicContact CD2-CB 3.87Å; Y119-H132 HydrophobicContact CE2-CB 3.9Å
120	T	98.8	Very high	98.1	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.08	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.4	167	56.2	0	0	0	0	111.5	R51 F53 K127 I128 H129	R51-T120 PolarHBondContact N-O 3.4Å; R51-T120 PolarHBondContact O-N 2.84Å; F53-T120 HydrophobicContact CB-CG2 4.06Å; F53-T120 HydrophobicContact CD2-CG2 3.98Å; F53-T120 HydrophobicContact CG-CG2 4.08Å; T120-K127 HydrophobicContact CG2-CD 4.2Å; T120-K127 HydrophobicContact CG2-CG 4.15Å; T120-I128 VanDerWaalsContact CA-O 3.23Å; T120-I128 WeakPolarHBondContact CA-O 3.49Å; T120-H129 HydrophobicContact CG2-CB 4.32Å
121	T	98.7	Very high	98.2	Very high	4 Å²	4	35 Å²	35	3%	0.025	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	161.7	170.5	-159.6	0	0	0	0	109.8	T49 I123 K127 I128 F130 L215 R218	T49-T121 WeakPolarHBondContact O-CB 3.41Å; T49-T121 PolarHBondContact O-OG1 2.98Å; T121-I123 HydrophobicContact CG2-CD1 4.27Å; T121-I123 HydrophobicContact CG2-CG1 4.19Å; T121-K127 WeakPolarHBondContact O-CA 3.32Å; T121-I128 PolarHBondContact N-O 2.94Å; T121-I128 PolarHBondContact O-N 2.89Å; T121-F130 HydrophobicContact CG2-CE1 4.03Å; T121-L215 HydrophobicContact CG2-CD1 3.92Å; T121-R218 HydrophobicContact CG2-CG 4.31Å; T121-R218 PolarHBondContact OG1-NH1 3.35Å
122	E	98.4	Very high	98.2	Very high	64 Å²	64	30.5 Å²	30.5	30%	0.299	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.2	177.7	-64.6	-177.2	170.1	0	0	111.9	D46 D47 L126 R218	D46-E122 HydrophobicContact CB-CB 3.85Å; D47-E122 HydrophobicContact CB-CG 4.49Å; D47-E122 PolarHBondContact N-OE2 3.49Å; D47-E122 PolarHBondContact O-N 2.88Å; E122-L126 VanDerWaalsContact CA-O 3.32Å; E122-L126 WeakPolarHBondContact CA-O 3.42Å; E122-R218 VanDerWaalsContact O-CZ 3.3Å; E122-R218 PolarHBondContact O-NH1 2.79Å; E122-R218 PolarHBondContact O-NH2 3.09Å
123	I	98.2	Very high	98.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	120.5	174.6	-56.2	179.3	0	0	0	107.5	D46 T121 G125 L126 I128 I211 K214 L215	D46-I123 WeakPolarHBondContact OD2-CA 3.3Å; T121-I123 HydrophobicContact CG2-CD1 4.27Å; T121-I123 HydrophobicContact CG2-CG1 4.19Å; I123-G125 VanDerWaalsContact C-N 3.3Å; I123-G125 PolarHBondContact O-N 3.29Å; I123-L126 PolarHBondContact N-O 2.95Å; I123-L126 WeakPolarHBondContact O-CB 3.45Å; I123-L126 PolarHBondContact O-N 2.92Å; I123-I128 HydrophobicContact CB-CG1 4.05Å; I123-I128 HydrophobicContact CD1-CG1 4.26Å; I123-I128 HydrophobicContact CG1-CG1 4.22Å; I123-I211 HydrophobicContact CB-CG2 4.32Å; I123-I211 HydrophobicContact CD1-CG2 4.48Å; I123-I211 HydrophobicContact CG2-CB 4.39Å; I123-I211 HydrophobicContact CG2-CG1 4.16Å; I123-I211 HydrophobicContact CG2-CG2 4.08Å; I123-K214 HydrophobicContact CD1-CB 4.33Å; I123-K214 HydrophobicContact CG2-CB 3.86Å; I123-K214 HydrophobicContact CG2-CD 3.87Å; I123-L215 HydrophobicContact CD1-CB 3.68Å; I123-L215 HydrophobicContact CD1-CD1 4.16Å
124	E	97.1	Very high	98.3	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	39.7	176.8	-64.3	-177.9	177.5	0	0	113.9	E36 F38 D46 L126 R210 I211 K214	E36-E124 VanDerWaalsContact O-CB 3.27Å; E36-E124 WeakPolarHBondContact O-CB 3.21Å; E36-E124 VanDerWaalsContact O-CG 3.25Å; E36-E124 WeakPolarHBondContact O-CG 3.37Å; F38-E124 PolarHBondContact N-O 3.04Å; D46-E124 PolarHBondContact OD1-N 3.48Å; D46-E124 PolarHBondContact OD2-N 3.4Å; E124-L126 PolarHBondContact O-N 2.92Å; E124-R210 WeakPolarHBondContact OE1-CD 3.43Å; E124-R210 IonicContact OE1-CZ 2.68Å; E124-R210 IonicContact OE1-NE 3.61Å; E124-R210 PolarHBondContact OE1-NE 2.81Å; E124-R210 IonicContact OE1-NH1 2.98Å; E124-R210 PolarHBondContact OE1-NH1 3.44Å; E124-R210 VanDerWaalsContact OE1-NH1 3.14Å; E124-R210 IonicContact OE1-NH2 3.93Å; E124-R210 PolarHBondContact OE1-NH2 3.37Å; E124-R210 IonicContact OE2-CZ 2.9Å; E124-R210 IonicContact OE2-NE 2.92Å; E124-R210 PolarHBondContact OE2-NE 3.17Å; E124-R210 IonicContact OE2-NH1 3.14Å; E124-R210 IonicContact OE2-NH2 3.31Å; E124-R210 PolarHBondContact OE2-NH2 2.85Å; E124-I211 HydrophobicContact CB-CD1 4.34Å; E124-I211 WeakPolarHBondContact OE2-CG1 3.46Å; E124-K214 WeakPolarHBondContact OE1-CE 3.45Å; E124-K214 IonicContact OE1-NZ 2.68Å; E124-K214 PolarHBondContact OE1-NZ 2.81Å
125	G	97.4	Very high	98.2	Very high	19 Å²	19	33.1 Å²	33.1	20%	0.196	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	7.5	-177.4	0	0	0	0	0	114.6	G39 D46 I123	G39-G125 WeakPolarHBondContact CA-O 3.44Å; D46-G125 WeakPolarHBondContact OD1-CA 3.37Å; D46-G125 PolarHBondContact OD1-N 3Å; I123-G125 VanDerWaalsContact C-N 3.3Å; I123-G125 PolarHBondContact O-N 3.29Å
126	L	98.2	Very high	98.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.8	179.1	-60.9	171.5	0	0	0	110.5	F38 E122 I123 E124 I128 P190 F203 I211	F38-L126 HydrophobicContact CB-CD1 3.72Å; F38-L126 HydrophobicContact CB-CD2 3.95Å; F38-L126 HydrophobicContact CB-CG 3.87Å; F38-L126 HydrophobicContact CD2-CD1 4.31Å; F38-L126 HydrophobicContact CG-CD1 4.38Å; E122-L126 VanDerWaalsContact CA-O 3.32Å; E122-L126 WeakPolarHBondContact CA-O 3.42Å; I123-L126 PolarHBondContact N-O 2.95Å; I123-L126 WeakPolarHBondContact O-CB 3.45Å; I123-L126 PolarHBondContact O-N 2.92Å; E124-L126 PolarHBondContact O-N 2.92Å; L126-I128 HydrophobicContact CB-CD1 3.71Å; L126-I128 PolarHBondContact O-N 2.99Å; L126-P190 HydrophobicContact CD1-CB 3.89Å; L126-P190 HydrophobicContact CD1-CG 4.11Å; L126-F203 HydrophobicContact CD1-CD2 4.29Å; L126-F203 HydrophobicContact CD1-CE2 3.99Å; L126-I211 HydrophobicContact CD1-CD1 3.64Å
127	K	98.4	Very high	97.8	Very high	102 Å²	102	39.2 Å²	39.2	44%	0.443	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.9	166.1	-174.5	-178.9	-66.3	179.5	0	108.8	T120 T121 S196	T120-K127 HydrophobicContact CG2-CD 4.2Å; T120-K127 HydrophobicContact CG2-CG 4.15Å; T121-K127 WeakPolarHBondContact O-CA 3.32Å; K127-S196 VanDerWaalsContact CB-OG 3.31Å; K127-S196 WeakPolarHBondContact CB-OG 3.37Å; K127-S196 PolarHBondContact N-OG 3.24Å; K127-S196 VanDerWaalsContact N-OG 3.15Å; K127-S196 PolarHBondContact O-N 3.07Å; K127-S196 PolarHBondContact O-OG 3.06Å
128	I	98.8	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119.2	-178.2	-50.6	-56.1	0	0	0	108.7	T120 T121 I123 L126 P190 I211 L215	T120-I128 VanDerWaalsContact CA-O 3.23Å; T120-I128 WeakPolarHBondContact CA-O 3.49Å; T121-I128 PolarHBondContact N-O 2.94Å; T121-I128 PolarHBondContact O-N 2.89Å; I123-I128 HydrophobicContact CB-CG1 4.05Å; I123-I128 HydrophobicContact CD1-CG1 4.26Å; I123-I128 HydrophobicContact CG1-CG1 4.22Å; L126-I128 HydrophobicContact CB-CD1 3.71Å; L126-I128 PolarHBondContact O-N 2.99Å; I128-P190 HydrophobicContact CD1-CG 3.75Å; I128-I211 HydrophobicContact CD1-CG2 3.78Å; I128-I211 HydrophobicContact CG1-CG2 4.01Å; I128-L215 HydrophobicContact CG2-CD2 4.39Å
129	H	98.8	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.7	167.4	165.3	-96.4	0	0	0	110	F53 H118 Y119 T120 T188 W194 S195	F53-H129 AromaticContact CD1-CD2 3.56Å; F53-H129 AromaticContact CD1-NE2 3.95Å; F53-H129 AromaticContact CE1-CD2 3.83Å; H118-H129 AromaticContact CG-NE2 3.72Å; H118-H129 AromaticContact ND1-CE1 3.62Å; H118-H129 AromaticContact ND1-NE2 2.95Å; H118-H129 PolarHBondContact ND1-NE2 2.89Å; Y119-H129 WeakPolarHBondContact O-CA 3.45Å; T120-H129 HydrophobicContact CG2-CB 4.32Å; H129-T188 PolarHBondContact ND1-OG1 2.79Å; H129-T188 PolarHBondContact O-N 3.27Å; H129-W194 HydrophobicContact CB-CB 4.01Å; H129-S195 PolarHBondContact N-OG 2.85Å; H129-S195 PolarHBondContact O-OG 3.06Å
130	F	98.9	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149.7	173.9	62.9	-81.7	0	0	0	111.9	I50 Y119 T121 H132 T185 P187 L215 L219	I50-F130 HydrophobicContact CG2-CZ 3.85Å; Y119-F130 VanDerWaalsContact CB-CZ 3.43Å; Y119-F130 HydrophobicContact CD2-CE2 4.05Å; Y119-F130 HydrophobicContact CG-CE2 4.17Å; Y119-F130 HydrophobicContact CG-CZ 4.19Å; Y119-F130 PolarHBondContact N-O 3.38Å; Y119-F130 PolarHBondContact O-N 2.81Å; T121-F130 HydrophobicContact CG2-CE1 4.03Å; F130-H132 HydrophobicContact CD2-CB 3.88Å; F130-H132 HydrophobicContact CE2-CB 3.78Å; F130-T185 HydrophobicContact CD2-CG2 4.07Å; F130-P187 HydrophobicContact CB-CB 4.05Å; F130-L215 HydrophobicContact CB-CD2 4.04Å; F130-L215 HydrophobicContact CD1-CD1 3.79Å; F130-L215 HydrophobicContact CD1-CD2 4.21Å; F130-L215 HydrophobicContact CE1-CD1 3.67Å; F130-L215 HydrophobicContact CE2-CD1 4.46Å; F130-L215 HydrophobicContact CG-CD1 4.25Å; F130-L215 HydrophobicContact CG-CD2 4.04Å; F130-L215 HydrophobicContact CZ-CD1 4.01Å; F130-L219 HydrophobicContact CE2-CD1 4.16Å; F130-L219 HydrophobicContact CE2-CD2 3.94Å; F130-L219 HydrophobicContact CZ-CD2 4.16Å
131	I	98.9	Very high	96.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.3	165.2	-62.4	158.1	0	0	0	107.9	L116 N117 A156 M157 I163 T185 A186	L116-I131 HydrophobicContact CB-CG2 3.96Å; L116-I131 HydrophobicContact CD1-CD1 3.96Å; L116-I131 HydrophobicContact CD1-CG2 4.39Å; N117-I131 CarbonylContact O-C 3.59Å; N117-I131 WeakPolarHBondContact O-CA 3.2Å; I131-A156 HydrophobicContact CD1-CB 4.47Å; I131-M157 HydrophobicContact CD1-SD 3.89Å; I131-I163 HydrophobicContact CD1-CD1 4.26Å; I131-I163 HydrophobicContact CG2-CD1 4.05Å; I131-T185 CarbonylContact O-C 3.57Å; I131-T185 VanDerWaalsContact O-CA 3.29Å; I131-T185 WeakPolarHBondContact O-CA 3.45Å; I131-A186 HydrophobicContact CB-CB 4.26Å; I131-A186 PolarHBondContact N-O 3.33Å; I131-A186 PolarHBondContact O-N 3.4Å
132	H	98.8	Very high	96.1	Very high	13 Å²	13	64.5 Å²	64.5	6%	0.06	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	103.5	173.1	-177	72.1	0	0	0	111	N117 Y119 F130 K134 E183 V184 T185	N117-H132 WeakPolarHBondContact CB-O 3.43Å; N117-H132 PolarHBondContact O-N 2.87Å; Y119-H132 HydrophobicContact CD2-CB 3.87Å; Y119-H132 HydrophobicContact CE2-CB 3.9Å; F130-H132 HydrophobicContact CD2-CB 3.88Å; F130-H132 HydrophobicContact CE2-CB 3.78Å; H132-K134 WeakPolarHBondContact NE2-CE 3.25Å; H132-E183 IonicContact CE1-OE1 3.09Å; H132-E183 PolarHBondContact CE1-OE1 3.06Å; H132-E183 IonicContact NE2-OE1 2.69Å; H132-E183 PolarHBondContact NE2-OE1 2.7Å; H132-E183 VanDerWaalsContact NE2-OE1 3.08Å; H132-V184 CarbonylContact C-O 3.46Å; H132-V184 WeakPolarHBondContact CA-O 3.38Å; H132-T185 PolarHBondContact ND1-OG1 3.08Å
133	Q	98.4	Very high	95.9	Very high	37 Å²	37	64.5 Å²	64.5	17%	0.173	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.5	-172.5	-165.4	68.3	25.8	0	0	110.9	N117 I163 T167 V184	N117-Q133 PolarHBondContact ND2-NE2 2.95Å; N117-Q133 PolarHBondContact ND2-OE1 3.03Å; Q133-I163 HydrophobicContact CB-CG2 3.69Å; Q133-I163 HydrophobicContact CG-CG2 3.81Å; Q133-T167 HydrophobicContact CB-CG2 3.93Å; Q133-T167 HydrophobicContact CG-CG2 3.74Å; Q133-V184 PolarHBondContact N-O 3.43Å; Q133-V184 PolarHBondContact O-N 3.47Å
134	K	97.5	Very high	95.7	Very high	118 Å²	118	65.7 Å²	65.7	51%	0.513	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-94.7	145.3	176.1	-59.9	-166.8	-176.2	-127.9	0	111	H132 E183	H132-K134 WeakPolarHBondContact NE2-CE 3.25Å; K134-E183 WeakPolarHBondContact CE-OE1 3.45Å; K134-E183 HydrophobicContact CG-CG 4.15Å; K134-E183 IonicContact NZ-OE1 3.69Å; K134-E183 PolarHBondContact NZ-OE1 2.86Å
135	P	96.4	Very high	95.8	Very high	16 Å²	16	66.6 Å²	66.6	10%	0.104	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-66.8	156.8	171.9	29.4	-34.5	0	0	0	111	R137 Y140 T143 T167 A181	P135-R137 PolarHBondContact O-N 2.79Å; P135-Y140 HydrophobicContact CB-CD2 4.22Å; P135-T143 HydrophobicContact CB-CG2 4.34Å; P135-T143 HydrophobicContact CG-CG2 3.39Å; P135-T167 VanDerWaalsContact CA-O 3.31Å; P135-T167 WeakPolarHBondContact CA-O 3.46Å; P135-T167 WeakPolarHBondContact CB-O 3.37Å; P135-A181 HydrophobicContact CB-CB 3.68Å; P135-A181 HydrophobicContact CG-CB 4.34Å
136	P	95	Very high	95.8	Very high	52 Å²	52	65.8 Å²	65.8	34%	0.338	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-54.2	130.6	173.8	-24.1	31.8	0	0	0	112.2	R138 K139 T167 D168	P136-R138 PolarHBondContact O-N 2.84Å; P136-K139 HydrophobicContact CB-CB 4.03Å; P136-K139 HydrophobicContact CB-CD 3.97Å; P136-K139 HydrophobicContact CG-CD 4.07Å; P136-K139 PolarHBondContact O-N 3.29Å; P136-T167 VanDerWaalsContact CD-O 3.28Å; P136-T167 WeakPolarHBondContact CD-O 3.39Å; P136-D168 HydrophobicContact CG-CB 4.14Å; P136-D168 WeakPolarHBondContact CG-OD2 3.03Å
137	R	92.3	Very high	95.9	Very high	239 Å²	239	65.7 Å²	65.7	90%	0.902	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	134.5	-177.9	-76.9	-176.8	166.2	148.1	-2.5	111.3	P135 K139	P135-R137 PolarHBondContact O-N 2.79Å; R137-K139 PolarHBondContact O-N 2.88Å; R137-K139 VanDerWaalsContact O-N 3.08Å
138	R	88.8	Confident	95.9	Very high	251 Å²	251	60.8 Å²	60.8	95%	0.947	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	10.7	174.4	-51.9	175.3	70.7	120	-0.3	115.5	P136	P136-R138 PolarHBondContact O-N 2.84Å
139	K	92.3	Very high	95.9	Very high	86 Å²	86	60.8 Å²	60.8	37%	0.374	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-29.7	176.5	-170.3	174.6	-175.1	-179.1	0	112.7	P136 R137 D168	P136-K139 HydrophobicContact CB-CB 4.03Å; P136-K139 HydrophobicContact CB-CD 3.97Å; P136-K139 HydrophobicContact CG-CD 4.07Å; P136-K139 PolarHBondContact O-N 3.29Å; R137-K139 PolarHBondContact O-N 2.88Å; R137-K139 VanDerWaalsContact O-N 3.08Å; K139-D168 WeakPolarHBondContact CE-OD1 3.2Å; K139-D168 IonicContact NZ-OD1 2.82Å; K139-D168 PolarHBondContact NZ-OD1 3.12Å; K139-D168 IonicContact NZ-OD2 2.68Å; K139-D168 PolarHBondContact NZ-OD2 2.98Å
140	Y	93.1	Very high	95.9	Very high	21 Å²	21	60.8 Å²	60.8	8%	0.082	26%	0.261	C	S	.	.	S	Bend	trans	-115.7	147.2	-175.7	-63.9	-77.5	0	0	0	111.4	P135 Q142 D168 P169 I170 A181	P135-Y140 HydrophobicContact CB-CD2 4.22Å; Y140-Q142 VanDerWaalsContact C-N 3.3Å; Y140-D168 WeakPolarHBondContact OH-CA 3.3Å; Y140-D168 PolarHBondContact OH-OD1 3.44Å; Y140-P169 HydrophobicContact CE1-CG 3.73Å; Y140-P169 WeakPolarHBondContact OH-CD 3.47Å; Y140-I170 HydrophobicContact CE1-CD1 3.66Å; Y140-I170 HydrophobicContact CE1-CG1 3.89Å; Y140-I170 PolarHBondContact OH-N 2.95Å; Y140-I170 VanDerWaalsContact OH-N 3.13Å; Y140-A181 HydrophobicContact CD1-CB 3.97Å; Y140-A181 HydrophobicContact CD2-CB 3.44Å; Y140-A181 VanDerWaalsContact CD2-CB 3.44Å; Y140-A181 HydrophobicContact CE1-CB 4.21Å; Y140-A181 HydrophobicContact CE2-CB 3.72Å; Y140-A181 HydrophobicContact CG-CB 3.59Å
141	R	91	Very high	95.8	Very high	231 Å²	231	60.9 Å²	60.9	87%	0.872	26%	0.262	S	S	*	.	S	Bend	trans	-66.4	-37.1	177.9	179.9	-179.5	173.3	-174.9	-2	111	A179	R141-A179 WeakPolarHBondContact CB-O 3.29Å; R141-A179 PolarHBondContact N-O 2.83Å
142	Q	91.3	Very high	95.7	Very high	95 Å²	95	61 Å²	61	44%	0.444	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149	-179.3	-157.1	154.3	-26.8	0	0	111.3	Y140 Y144 I180 A181	Y140-Q142 VanDerWaalsContact C-N 3.3Å; Q142-Y144 HydrophobicContact CB-CE2 4.03Å; Q142-Y144 HydrophobicContact CG-CE1 3.92Å; Q142-Y144 HydrophobicContact CG-CE2 3.94Å; Q142-Y144 VanDerWaalsContact CG-CZ 3.43Å; Q142-Y144 VanDerWaalsContact CG-OH 3.29Å; Q142-Y144 WeakPolarHBondContact CG-OH 3.13Å; Q142-Y144 VanDerWaalsContact NE2-CE1 3.33Å; Q142-Y144 PolarHBondContact NE2-OH 3.38Å; Q142-Y144 PolarHBondContact OE1-OH 2.75Å; Q142-I180 HydrophobicContact CB-CG2 4.28Å; Q142-I180 WeakPolarHBondContact O-CA 3.33Å; Q142-A181 PolarHBondContact O-N 2.88Å; Q142-A181 VanDerWaalsContact O-N 3.16Å
143	T	94.1	Very high	95.7	Very high	64 Å²	64	60.3 Å²	60.3	39%	0.393	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.4	-179.6	57.7	0	0	0	0	109.7	P135 A181	P135-T143 HydrophobicContact CB-CG2 4.34Å; P135-T143 HydrophobicContact CG-CG2 3.39Å; T143-A181 CarbonylContact C-O 3.53Å; T143-A181 VanDerWaalsContact CA-O 3.23Å; T143-A181 WeakPolarHBondContact CA-O 3.21Å
144	Y	95	Very high	95.6	Very high	25 Å²	25	58.7 Å²	58.7	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.8	-177.4	-60.3	-77.9	0	0	0	111.6	Q142 L146 I180 A181 F182 E183 Y451	Q142-Y144 HydrophobicContact CB-CE2 4.03Å; Q142-Y144 HydrophobicContact CG-CE1 3.92Å; Q142-Y144 HydrophobicContact CG-CE2 3.94Å; Q142-Y144 VanDerWaalsContact CG-CZ 3.43Å; Q142-Y144 VanDerWaalsContact CG-OH 3.29Å; Q142-Y144 WeakPolarHBondContact CG-OH 3.13Å; Q142-Y144 VanDerWaalsContact NE2-CE1 3.33Å; Q142-Y144 PolarHBondContact NE2-OH 3.38Å; Q142-Y144 PolarHBondContact OE1-OH 2.75Å; Y144-L146 PolarHBondContact O-N 3.16Å; Y144-I180 HydrophobicContact CD2-CB 4.44Å; Y144-I180 HydrophobicContact CD2-CD1 4.41Å; Y144-I180 HydrophobicContact CE2-CB 4.01Å; Y144-I180 HydrophobicContact CE2-CD1 4.18Å; Y144-I180 HydrophobicContact CE2-CG2 3.89Å; Y144-A181 PolarHBondContact N-O 2.89Å; Y144-F182 CarbonylContact O-C 3.59Å; Y144-F182 VanDerWaalsContact O-CA 3.23Å; Y144-F182 WeakPolarHBondContact O-CA 3.49Å; Y144-E183 PolarHBondContact O-N 3.3Å; Y144-Y451 HydrophobicContact CD1-CD2 4.5Å; Y144-Y451 HydrophobicContact CD1-CE1 4.47Å; Y144-Y451 AromaticContact CD1-CE2 3.65Å; Y144-Y451 HydrophobicContact CD1-CE2 3.65Å; Y144-Y451 AromaticContact CD1-CZ 3.69Å; Y144-Y451 HydrophobicContact CD2-CD1 4.1Å; Y144-Y451 HydrophobicContact CD2-CD2 4.43Å; Y144-Y451 AromaticContact CD2-CE1 3.75Å; Y144-Y451 HydrophobicContact CD2-CE1 3.75Å; Y144-Y451 HydrophobicContact CD2-CE2 4.1Å; Y144-Y451 HydrophobicContact CD2-CG 4.44Å; Y144-Y451 AromaticContact CD2-CZ 3.8Å; Y144-Y451 AromaticContact CE1-CE1 4Å; Y144-Y451 HydrophobicContact CE1-CE1 4Å; Y144-Y451 AromaticContact CE1-CE2 3.67Å; Y144-Y451 HydrophobicContact CE1-CE2 3.67Å; Y144-Y451 AromaticContact CE1-CZ 3.23Å; Y144-Y451 WeakPolarHBondContact CE1-OH 3.49Å; Y144-Y451 AromaticContact CE2-CD1 3.89Å; Y144-Y451 HydrophobicContact CE2-CD1 3.89Å; Y144-Y451 AromaticContact CE2-CE1 3.16Å; Y144-Y451 HydrophobicContact CE2-CE1 3.16Å; Y144-Y451 HydrophobicContact CE2-CE2 4.1Å; Y144-Y451 AromaticContact CE2-CZ 3.34Å; Y144-Y451 HydrophobicContact CG-CD2 4.32Å; Y144-Y451 HydrophobicContact CG-CE1 4.35Å; Y144-Y451 AromaticContact CG-CE2 3.87Å; Y144-Y451 HydrophobicContact CG-CE2 3.87Å; Y144-Y451 AromaticContact CG-CZ 3.95Å; Y144-Y451 AromaticContact CZ-CE1 3.3Å; Y144-Y451 AromaticContact CZ-CE2 3.89Å; Y144-Y451 AromaticContact CZ-CZ 3.02Å; Y144-Y451 WeakPolarHBondContact OH-CE1 3.39Å; Y144-Y451 PolarHBondContact OH-OH 3.33Å
145	P	98	Very high	95.6	Very high	27 Å²	27	53.2 Å²	53.2	18%	0.175	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.1	171.9	-19.7	33.3	0	0	0	111.4	E183 I221 Y224 L225	P145-E183 CarbonylContact C-O 3.51Å; P145-E183 WeakPolarHBondContact CA-O 3.24Å; P145-I221 HydrophobicContact CB-CD1 4.36Å; P145-I221 HydrophobicContact CB-CG2 3.4Å; P145-I221 HydrophobicContact CG-CG2 3.64Å; P145-Y224 WeakPolarHBondContact O-CA 3.39Å; P145-L225 PolarHBondContact O-N 2.89Å
146	L	98.6	Very high	95.6	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.7	179.1	172.5	61.8	0	0	0	109.3	Y144 L148 L166 F182 E183 V184 T185 L225 H227 I447	Y144-L146 PolarHBondContact O-N 3.16Å; L146-L148 HydrophobicContact CD1-CD2 4.15Å; L146-L148 HydrophobicContact CD2-CD2 3.72Å; L146-L148 HydrophobicContact CG-CD2 3.76Å; L146-L148 HydrophobicContact CG-CG 4.37Å; L146-L166 HydrophobicContact CD2-CD1 3.99Å; L146-L166 HydrophobicContact CD2-CD2 4.5Å; L146-F182 HydrophobicContact CB-CB 4.15Å; L146-F182 HydrophobicContact CB-CD1 3.94Å; L146-F182 HydrophobicContact CB-CG 4.28Å; L146-F182 HydrophobicContact CD2-CB 4.24Å; L146-F182 HydrophobicContact CD2-CD1 4.06Å; L146-F182 HydrophobicContact CD2-CD2 4.36Å; L146-F182 HydrophobicContact CD2-CG 3.96Å; L146-E183 PolarHBondContact N-O 2.88Å; L146-V184 CarbonylContact O-C 3.6Å; L146-V184 WeakPolarHBondContact O-CA 3.41Å; L146-T185 PolarHBondContact O-N 3.31Å; L146-L225 WeakPolarHBondContact CA-O 3.46Å; L146-L225 HydrophobicContact CD1-CB 3.73Å; L146-H227 HydrophobicContact CD1-CB 4.16Å; L146-I447 HydrophobicContact CD2-CG2 3.83Å
147	V	98.8	Very high	95.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.3	169.9	67.5	0	0	0	0	110.1	I149 T185 P187 M216 Y224 L225 C226 H227 M239	V147-I149 HydrophobicContact CG1-CD1 4.46Å; V147-I149 HydrophobicContact CG2-CD1 4.48Å; V147-I149 HydrophobicContact CG2-CG1 4.06Å; V147-T185 CarbonylContact C-O 3.59Å; V147-T185 VanDerWaalsContact CA-O 3.22Å; V147-T185 WeakPolarHBondContact CA-O 3.38Å; V147-P187 HydrophobicContact CG2-CG 4.09Å; V147-M216 HydrophobicContact CB-CE 4.46Å; V147-M216 HydrophobicContact CB-SD 4.14Å; V147-M216 HydrophobicContact CG2-SD 4.28Å; V147-Y224 HydrophobicContact CG1-CD2 4.04Å; V147-Y224 HydrophobicContact CG1-CE2 4.31Å; V147-L225 PolarHBondContact N-O 3.49Å; V147-C226 HydrophobicContact CG1-CB 3.97Å; V147-C226 WeakPolarHBondContact CG1-SG 3.48Å; V147-H227 PolarHBondContact O-N 2.71Å; V147-M239 HydrophobicContact CG1-CE 4.39Å
148	L	98.8	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.3	177.1	-57.8	-178.6	0	0	0	109.7	L146 F159 I162 I163 L166 V184 T185 A186 P187 H227	L146-L148 HydrophobicContact CD1-CD2 4.15Å; L146-L148 HydrophobicContact CD2-CD2 3.72Å; L146-L148 HydrophobicContact CG-CD2 3.76Å; L146-L148 HydrophobicContact CG-CG 4.37Å; L148-F159 HydrophobicContact CB-CD1 4.34Å; L148-F159 HydrophobicContact CB-CD2 3.76Å; L148-F159 HydrophobicContact CB-CE1 4.29Å; L148-F159 HydrophobicContact CB-CE2 3.69Å; L148-F159 HydrophobicContact CB-CG 4.09Å; L148-F159 HydrophobicContact CB-CZ 3.98Å; L148-F159 HydrophobicContact CD1-CB 3.95Å; L148-F159 HydrophobicContact CD1-CD1 4.07Å; L148-F159 HydrophobicContact CD1-CD2 4.31Å; L148-F159 HydrophobicContact CD1-CG 3.85Å; L148-I162 HydrophobicContact CD1-CG2 4.13Å; L148-I163 HydrophobicContact CD1-CG1 4.18Å; L148-L166 HydrophobicContact CD1-CD1 3.96Å; L148-L166 HydrophobicContact CD2-CD1 4.33Å; L148-V184 HydrophobicContact CD1-CG1 3.56Å; L148-V184 HydrophobicContact CG-CG1 3.79Å; L148-T185 PolarHBondContact N-O 3.02Å; L148-A186 HydrophobicContact CB-CB 4.18Å; L148-A186 WeakPolarHBondContact O-CA 3.32Å; L148-P187 WeakPolarHBondContact O-CD 3.3Å; L148-H227 HydrophobicContact CD2-CB 3.49Å; L148-H227 VanDerWaalsContact CD2-CB 3.49Å
149	I	98.8	Very high	96.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.3	-174	-48.2	175.7	0	0	0	109.8	V147 F212 H227 S229 G232 I235 A236 M239	V147-I149 HydrophobicContact CG1-CD1 4.46Å; V147-I149 HydrophobicContact CG2-CD1 4.48Å; V147-I149 HydrophobicContact CG2-CG1 4.06Å; I149-F212 HydrophobicContact CD1-CD2 3.94Å; I149-F212 HydrophobicContact CD1-CE2 4.46Å; I149-F212 HydrophobicContact CG1-CD2 4.3Å; I149-F212 HydrophobicContact CG1-CE2 4.47Å; I149-F212 HydrophobicContact CG2-CD2 4.17Å; I149-F212 HydrophobicContact CG2-CE2 3.62Å; I149-H227 PolarHBondContact N-O 3.25Å; I149-S229 PolarHBondContact O-N 3.03Å; I149-G232 VanDerWaalsContact CG2-CA 3.5Å; I149-I235 HydrophobicContact CD1-CB 4.45Å; I149-I235 HydrophobicContact CD1-CG2 3.87Å; I149-I235 HydrophobicContact CG2-CB 4.19Å; I149-I235 HydrophobicContact CG2-CD1 4.21Å; I149-I235 HydrophobicContact CG2-CG2 4.18Å; I149-A236 HydrophobicContact CD1-CB 4.05Å; I149-M239 HydrophobicContact CD1-SD 3.64Å
150	H	98.4	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.112	C	C	.	.			trans	-79.6	175.4	177	72	89.7	0	0	0	111.2	S155 A156 F159 P187 T188 I189 Y192 G232	H150-S155 VanDerWaalsContact CB-C 3.42Å; H150-S155 VanDerWaalsContact CB-O 3.28Å; H150-S155 WeakPolarHBondContact CB-O 3.23Å; H150-S155 WeakPolarHBondContact ND1-CA 3.37Å; H150-A156 PolarHBondContact CD2-N 3.4Å; H150-F159 HydrophobicContact CB-CE2 3.86Å; H150-F159 HydrophobicContact CB-CZ 4.18Å; H150-P187 PolarHBondContact CD2-O 3.19Å; H150-T188 WeakPolarHBondContact NE2-CA 3.47Å; H150-I189 PolarHBondContact NE2-N 3.09Å; H150-I189 VanDerWaalsContact NE2-N 3.14Å; H150-I189 WeakPolarHBondContact O-CD1 3.45Å; H150-Y192 AromaticContact CE1-CD1 3.7Å; H150-Y192 AromaticContact CE1-CG 3.97Å; H150-G232 WeakPolarHBondContact O-CA 3.47Å; H150-G232 PolarHBondContact O-N 3.06Å; H150-G232 VanDerWaalsContact O-N 3.11Å
151	G	97.3	Very high	96.6	Very high	2 Å²	2	27 Å²	27	2%	0.021	12%	0.122	C	C	.	.			trans	-129.5	-141.5	166.1	0	0	0	0	0	112.5	G154 D230	G151-G154 CarbonylContact O-C 3.18Å; G151-G154 VanDerWaalsContact O-C 3.3Å; G151-G154 PolarHBondContact O-N 3.3Å; G151-D230 WeakPolarHBondContact CA-OD1 3.44Å
152	W	98	Very high	96.9	Very high	1 Å²	1	16 Å²	16	0%	0.004	8%	0.08	C	C	.	.	S	Bend	trans	-120.8	143.1	-176.6	-177	89.5	0	0	0	110.1	G154 Y192 D230 F302 Y327 K331 W335 M374 Y377	W152-G154 VanDerWaalsContact CA-N 3.31Å; W152-Y192 HydrophobicContact CB-CE1 3.84Å; W152-Y192 WeakPolarHBondContact CB-OH 3.01Å; W152-Y192 AromaticContact CD1-CE1 3.72Å; W152-Y192 HydrophobicContact CG-CE1 4.21Å; W152-D230 PolarHBondContact N-OD1 2.89Å; W152-D230 VanDerWaalsContact O-OD1 3.13Å; W152-F302 AromaticContact CE3-CD2 3.98Å; W152-F302 HydrophobicContact CE3-CD2 3.98Å; W152-F302 AromaticContact CE3-CE2 3.7Å; W152-F302 HydrophobicContact CE3-CE2 3.7Å; W152-F302 AromaticContact CH2-CD2 3.79Å; W152-F302 HydrophobicContact CH2-CD2 3.79Å; W152-F302 HydrophobicContact CH2-CE2 4.35Å; W152-F302 AromaticContact CZ3-CD2 3.27Å; W152-F302 HydrophobicContact CZ3-CD2 3.27Å; W152-F302 AromaticContact CZ3-CE2 3.4Å; W152-F302 HydrophobicContact CZ3-CE2 3.4Å; W152-F302 VanDerWaalsContact CZ3-CE2 3.4Å; W152-F302 HydrophobicContact CZ3-CG 4.19Å; W152-F302 HydrophobicContact CZ3-CZ 4.41Å; W152-Y327 HydrophobicContact CH2-CD1 4.05Å; W152-Y327 AromaticContact CH2-CE1 3.54Å; W152-Y327 HydrophobicContact CH2-CE1 3.54Å; W152-Y327 AromaticContact CZ2-CD1 3.95Å; W152-Y327 HydrophobicContact CZ2-CD1 3.95Å; W152-Y327 AromaticContact CZ2-CE1 3.55Å; W152-Y327 HydrophobicContact CZ2-CE1 3.55Å; W152-K331 HydrophobicContact CH2-CG 4.22Å; W152-K331 HydrophobicContact CZ3-CG 4.09Å; W152-W335 AromaticContact CE3-CH2 3.93Å; W152-W335 HydrophobicContact CE3-CH2 3.93Å; W152-W335 HydrophobicContact CE3-CZ3 4.47Å; W152-W335 AromaticContact CZ3-CH2 3.8Å; W152-W335 HydrophobicContact CZ3-CH2 3.8Å; W152-W335 HydrophobicContact CZ3-CZ2 4.48Å; W152-W335 WeakPolarHBondContact O-CZ3 3.41Å; W152-M374 HydrophobicContact CZ2-CE 4.14Å; W152-Y377 HydrophobicContact CB-CE2 4.2Å; W152-Y377 WeakPolarHBondContact CB-OH 3.43Å; W152-Y377 HydrophobicContact CD2-CE2 4.09Å; W152-Y377 HydrophobicContact CE3-CE2 4.36Å; W152-Y377 AromaticContact CG-CE2 4Å; W152-Y377 HydrophobicContact CG-CE2 4Å
153	P	97.2	Very high	97.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	S	Bend	cis	-82.8	30.9	-5	36.4	-36.1	0	0	0	112.5	M328 K331 Y332 Y364 F434	P153-M328 HydrophobicContact CB-CE 4.19Å; P153-M328 HydrophobicContact CB-CG 4.08Å; P153-K331 HydrophobicContact CG-CB 4.01Å; P153-K331 HydrophobicContact CG-CG 4.4Å; P153-Y332 HydrophobicContact CG-CE2 4.1Å; P153-Y364 WeakPolarHBondContact CA-OH 3.39Å; P153-Y364 WeakPolarHBondContact O-CE2 3.31Å; P153-Y364 PolarHBondContact O-OH 2.77Å; P153-F434 HydrophobicContact CG-CZ 4.42Å
154	G	96.7	Very high	97.4	Very high	2 Å²	2	10 Å²	10	2%	0.021	5%	0.05	C	C	.	.			trans	-79.4	-174.1	177.2	0	0	0	0	0	114.4	G151 W152 D158 Y364	G151-G154 CarbonylContact O-C 3.18Å; G151-G154 VanDerWaalsContact O-C 3.3Å; G151-G154 PolarHBondContact O-N 3.3Å; W152-G154 VanDerWaalsContact CA-N 3.31Å; G154-D158 WeakPolarHBondContact CA-OD2 3.22Å; G154-Y364 WeakPolarHBondContact O-CE2 3.28Å; G154-Y364 PolarHBondContact O-OH 2.83Å
155	S	97.4	Very high	97.5	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.028	5%	0.054	C	C	.	.			trans	-152.3	171	178.3	76.9	0	0	0	0	112.1	H150 M157 D158 Q360	H150-S155 VanDerWaalsContact CB-C 3.42Å; H150-S155 VanDerWaalsContact CB-O 3.28Å; H150-S155 WeakPolarHBondContact CB-O 3.23Å; H150-S155 WeakPolarHBondContact ND1-CA 3.37Å; S155-M157 PolarHBondContact O-N 2.88Å; S155-M157 VanDerWaalsContact O-N 3.1Å; S155-M157 WeakPolarHBondContact OG-CB 3.23Å; S155-M157 PolarHBondContact OG-N 2.84Å; S155-M157 VanDerWaalsContact OG-N 3.11Å; S155-D158 VanDerWaalsContact N-CG 3.3Å; S155-D158 PolarHBondContact N-OD1 2.99Å; S155-D158 PolarHBondContact N-OD2 3.14Å; S155-D158 WeakPolarHBondContact O-CB 3.34Å; S155-D158 PolarHBondContact O-N 3.45Å; S155-Q360 PolarHBondContact OG-OE1 2.96Å
156	A	97.4	Very high	97.4	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.008	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.8	171.6	0	0	0	0	0	112.6	I131 H150 D158 F159 A186 T188	I131-A156 HydrophobicContact CD1-CB 4.47Å; H150-A156 PolarHBondContact CD2-N 3.4Å; A156-D158 VanDerWaalsContact C-N 3.25Å; A156-D158 PolarHBondContact O-N 2.85Å; A156-F159 PolarHBondContact O-N 2.86Å; A156-A186 HydrophobicContact CB-CB 4.49Å; A156-T188 WeakPolarHBondContact CB-OG1 3.27Å
157	M	96.4	Very high	97.4	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.01	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-77.4	-10	177.1	-49.4	-52.5	-179	0	0	113.1	L55 L113 I131 S155 F159 R160 W194 I363	L55-M157 HydrophobicContact CD1-CE 3.95Å; L55-M157 HydrophobicContact CD2-CE 4.49Å; L113-M157 HydrophobicContact CD2-CB 3.88Å; L113-M157 HydrophobicContact CD2-CG 3.9Å; L113-M157 HydrophobicContact CD2-SD 3.91Å; I131-M157 HydrophobicContact CD1-SD 3.89Å; S155-M157 PolarHBondContact O-N 2.88Å; S155-M157 VanDerWaalsContact O-N 3.1Å; S155-M157 WeakPolarHBondContact OG-CB 3.23Å; S155-M157 PolarHBondContact OG-N 2.84Å; S155-M157 VanDerWaalsContact OG-N 3.11Å; M157-F159 PolarHBondContact O-N 2.97Å; M157-R160 WeakPolarHBondContact O-CB 3.43Å; M157-R160 VanDerWaalsContact O-CG 3.32Å; M157-R160 WeakPolarHBondContact O-CG 3.3Å; M157-R160 PolarHBondContact O-N 3.45Å; M157-R160 PolarHBondContact O-NH1 3.26Å; M157-W194 HydrophobicContact CE-CE3 3.92Å; M157-W194 HydrophobicContact CE-CH2 4.4Å; M157-W194 HydrophobicContact CE-CZ3 3.45Å; M157-W194 VanDerWaalsContact CE-CZ3 3.45Å; M157-I363 HydrophobicContact CB-CD1 3.5Å; M157-I363 HydrophobicContact CG-CD1 3.53Å; M157-I363 HydrophobicContact CG-CG1 4.18Å
158	D	95.5	Very high	97.2	Very high	10 Å²	10	10 Å²	10	5%	0.053	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-58.8	-29.8	169.5	-62.4	-4.6	0	0	0	110.5	G154 S155 A156 R160 Q360 L437	G154-D158 WeakPolarHBondContact CA-OD2 3.22Å; S155-D158 VanDerWaalsContact N-CG 3.3Å; S155-D158 PolarHBondContact N-OD1 2.99Å; S155-D158 PolarHBondContact N-OD2 3.14Å; S155-D158 WeakPolarHBondContact O-CB 3.34Å; S155-D158 PolarHBondContact O-N 3.45Å; A156-D158 VanDerWaalsContact C-N 3.25Å; A156-D158 PolarHBondContact O-N 2.85Å; D158-R160 VanDerWaalsContact C-N 3.31Å; D158-R160 PolarHBondContact O-N 3.39Å; D158-Q360 VanDerWaalsContact OD1-CD 3.22Å; D158-Q360 PolarHBondContact OD1-NE2 3.16Å; D158-Q360 PolarHBondContact OD1-OE1 3.45Å; D158-L437 HydrophobicContact CB-CD1 4.21Å; D158-L437 HydrophobicContact CB-CD2 4.46Å; D158-L437 HydrophobicContact CB-CG 4.05Å
159	F	97.7	Very high	97.1	Very high	2 Å²	2	10 Å²	10	1%	0.009	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-83.8	1	179.5	-53.7	-55.4	0	0	0	113.9	L148 H150 A156 M157 K161 I162 I163 A186 A436	L148-F159 HydrophobicContact CB-CD1 4.34Å; L148-F159 HydrophobicContact CB-CD2 3.76Å; L148-F159 HydrophobicContact CB-CE1 4.29Å; L148-F159 HydrophobicContact CB-CE2 3.69Å; L148-F159 HydrophobicContact CB-CG 4.09Å; L148-F159 HydrophobicContact CB-CZ 3.98Å; L148-F159 HydrophobicContact CD1-CB 3.95Å; L148-F159 HydrophobicContact CD1-CD1 4.07Å; L148-F159 HydrophobicContact CD1-CD2 4.31Å; L148-F159 HydrophobicContact CD1-CG 3.85Å; H150-F159 HydrophobicContact CB-CE2 3.86Å; H150-F159 HydrophobicContact CB-CZ 4.18Å; A156-F159 PolarHBondContact O-N 2.86Å; M157-F159 PolarHBondContact O-N 2.97Å; F159-K161 PolarHBondContact O-N 3.22Å; F159-K161 VanDerWaalsContact O-N 3.12Å; F159-I162 HydrophobicContact CB-CG2 3.8Å; F159-I162 HydrophobicContact CD1-CG2 3.99Å; F159-I162 HydrophobicContact CG-CG2 4.35Å; F159-I162 WeakPolarHBondContact O-CG2 3.43Å; F159-I162 PolarHBondContact O-N 3.41Å; F159-I163 HydrophobicContact CB-CD1 3.86Å; F159-I163 HydrophobicContact CB-CG1 4.02Å; F159-I163 VanDerWaalsContact O-CG1 3.28Å; F159-I163 WeakPolarHBondContact O-CG1 3.33Å; F159-I163 PolarHBondContact O-N 2.89Å; F159-A186 HydrophobicContact CD2-CB 4.01Å; F159-A436 HydrophobicContact CD1-CB 3.71Å; F159-A436 HydrophobicContact CE1-CB 3.97Å
160	R	96.6	Very high	96.8	Very high	33 Å²	33	13.8 Å²	13.8	13%	0.125	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-56.8	-35	-175.6	74.7	-177.1	173.2	-79.8	6	113.5	L116 M157 D158 P164 D356	L116-R160 HydrophobicContact CD1-CB 4.13Å; M157-R160 WeakPolarHBondContact O-CB 3.43Å; M157-R160 VanDerWaalsContact O-CG 3.32Å; M157-R160 WeakPolarHBondContact O-CG 3.3Å; M157-R160 PolarHBondContact O-N 3.45Å; M157-R160 PolarHBondContact O-NH1 3.26Å; D158-R160 VanDerWaalsContact C-N 3.31Å; D158-R160 PolarHBondContact O-N 3.39Å; R160-P164 WeakPolarHBondContact O-CD 3.22Å; R160-D356 IonicContact CZ-OD1 3.95Å; R160-D356 IonicContact NH2-OD1 3.95Å; R160-D356 PolarHBondContact NH2-OD1 3.24Å
161	K	95.7	Very high	96.6	Very high	66 Å²	66	21.8 Å²	21.8	29%	0.287	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-31.1	179.2	-62	-178.4	-175.4	174.9	0	112.7	F159 D356 P440	F159-K161 PolarHBondContact O-N 3.22Å; F159-K161 VanDerWaalsContact O-N 3.12Å; K161-D356 IonicContact NZ-OD1 2.64Å; K161-D356 IonicContact NZ-OD2 3.24Å; K161-D356 PolarHBondContact NZ-OD2 2.92Å; K161-P440 HydrophobicContact CB-CB 4.03Å; K161-P440 HydrophobicContact CB-CG 4.22Å; K161-P440 HydrophobicContact CD-CG 4.41Å
162	I	97.4	Very high	96.4	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-88	-30.4	-176.1	-156.6	177.6	0	0	0	112.8	L148 F159 M165 L166 L443 A444 I447	L148-I162 HydrophobicContact CD1-CG2 4.13Å; F159-I162 HydrophobicContact CB-CG2 3.8Å; F159-I162 HydrophobicContact CD1-CG2 3.99Å; F159-I162 HydrophobicContact CG-CG2 4.35Å; F159-I162 WeakPolarHBondContact O-CG2 3.43Å; F159-I162 PolarHBondContact O-N 3.41Å; I162-M165 WeakPolarHBondContact O-CA 3.46Å; I162-M165 WeakPolarHBondContact O-CB 3.48Å; I162-M165 PolarHBondContact O-N 3.35Å; I162-L166 HydrophobicContact CD1-CD1 4.22Å; I162-L166 HydrophobicContact CG1-CD1 3.96Å; I162-L166 HydrophobicContact CG1-CG 4.09Å; I162-L166 HydrophobicContact CG2-CD1 4.17Å; I162-L166 WeakPolarHBondContact O-CG 3.32Å; I162-L166 PolarHBondContact O-N 3.39Å; I162-L443 HydrophobicContact CD1-CB 3.82Å; I162-L443 HydrophobicContact CD1-CD2 3.73Å; I162-L443 HydrophobicContact CD1-CG 3.61Å; I162-A444 HydrophobicContact CD1-CB 4.08Å; I162-A444 HydrophobicContact CG1-CB 3.84Å; I162-I447 HydrophobicContact CD1-CD1 4.08Å
163	I	98.2	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55.8	-47.1	179.8	-72.8	163.7	0	0	0	112.1	L116 I131 Q133 L148 F159 M165 L166 T167 V184 A186	L116-I163 HydrophobicContact CD1-CD1 4Å; L116-I163 HydrophobicContact CD2-CB 4.38Å; L116-I163 HydrophobicContact CD2-CG2 3.85Å; I131-I163 HydrophobicContact CD1-CD1 4.26Å; I131-I163 HydrophobicContact CG2-CD1 4.05Å; Q133-I163 HydrophobicContact CB-CG2 3.69Å; Q133-I163 HydrophobicContact CG-CG2 3.81Å; L148-I163 HydrophobicContact CD1-CG1 4.18Å; F159-I163 HydrophobicContact CB-CD1 3.86Å; F159-I163 HydrophobicContact CB-CG1 4.02Å; F159-I163 VanDerWaalsContact O-CG1 3.28Å; F159-I163 WeakPolarHBondContact O-CG1 3.33Å; F159-I163 PolarHBondContact O-N 2.89Å; I163-M165 VanDerWaalsContact C-N 3.27Å; I163-M165 PolarHBondContact O-N 2.89Å; I163-L166 PolarHBondContact O-N 2.78Å; I163-T167 HydrophobicContact CG2-CG2 4.17Å; I163-T167 WeakPolarHBondContact O-CB 3.48Å; I163-T167 WeakPolarHBondContact O-CG2 3.35Å; I163-T167 PolarHBondContact O-N 2.78Å; I163-T167 PolarHBondContact O-OG1 3.04Å; I163-V184 HydrophobicContact CG1-CG1 3.98Å; I163-A186 HydrophobicContact CD1-CB 4.35Å
164	P	97	Very high	95.7	Very high	31 Å²	31	27 Å²	27	20%	0.201	15%	0.145	C	C	.	.	H	α-helix	trans	-57.8	-38.5	173.9	-28.1	36.8	0	0	0	113.4	R160 D168	R160-P164 WeakPolarHBondContact O-CD 3.22Å; P164-D168 CarbonylContact O-C 3.58Å; P164-D168 PolarHBondContact O-N 3.35Å
165	M	97.1	Very high	94.8	Very high	38 Å²	38	31.8 Å²	31.8	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-68.4	-35	179.8	-60.9	-177.7	-171.3	0	0	112.3	I162 I163 P169 C172 L174 P440 K441 A444	I162-M165 WeakPolarHBondContact O-CA 3.46Å; I162-M165 WeakPolarHBondContact O-CB 3.48Å; I162-M165 PolarHBondContact O-N 3.35Å; I163-M165 VanDerWaalsContact C-N 3.27Å; I163-M165 PolarHBondContact O-N 2.89Å; M165-P169 VanDerWaalsContact O-CA 3.23Å; M165-P169 WeakPolarHBondContact O-CA 3.14Å; M165-P169 WeakPolarHBondContact O-CB 3.48Å; M165-P169 WeakPolarHBondContact O-CD 3.21Å; M165-C172 HydrophobicContact CB-CB 4.43Å; M165-C172 HydrophobicContact CG-CB 4.04Å; M165-L174 HydrophobicContact CB-CD1 3.76Å; M165-L174 HydrophobicContact CG-CD1 4.4Å; M165-P440 HydrophobicContact CE-CB 4.03Å; M165-P440 HydrophobicContact CE-CG 4.24Å; M165-P440 HydrophobicContact SD-CB 4.23Å; M165-K441 HydrophobicContact SD-CB 4.49Å; M165-A444 HydrophobicContact CB-CB 4.07Å; M165-A444 HydrophobicContact SD-CB 4.28Å
166	L	97.6	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-80.7	-33.9	179.9	-66.2	169.6	0	0	0	112.4	L146 L148 I162 I163 F182 V184 A444 I447 F448	L146-L166 HydrophobicContact CD2-CD1 3.99Å; L146-L166 HydrophobicContact CD2-CD2 4.5Å; L148-L166 HydrophobicContact CD1-CD1 3.96Å; L148-L166 HydrophobicContact CD2-CD1 4.33Å; I162-L166 HydrophobicContact CD1-CD1 4.22Å; I162-L166 HydrophobicContact CG1-CD1 3.96Å; I162-L166 HydrophobicContact CG1-CG 4.09Å; I162-L166 HydrophobicContact CG2-CD1 4.17Å; I162-L166 WeakPolarHBondContact O-CG 3.32Å; I162-L166 PolarHBondContact O-N 3.39Å; I163-L166 PolarHBondContact O-N 2.78Å; L166-F182 HydrophobicContact CB-CB 4.25Å; L166-F182 HydrophobicContact CB-CD2 3.97Å; L166-F182 HydrophobicContact CD2-CD2 3.7Å; L166-F182 HydrophobicContact CD2-CE2 3.91Å; L166-F182 HydrophobicContact CG-CD2 4.42Å; L166-F182 PolarHBondContact O-N 3.45Å; L166-V184 HydrophobicContact CB-CG2 3.94Å; L166-V184 HydrophobicContact CD1-CG2 4.33Å; L166-A444 HydrophobicContact CD2-CB 4.35Å; L166-I447 HydrophobicContact CD1-CD1 4.37Å; L166-I447 HydrophobicContact CD2-CB 4.18Å; L166-I447 HydrophobicContact CD2-CD1 4.35Å; L166-I447 HydrophobicContact CD2-CG2 3.86Å; L166-F448 HydrophobicContact CD2-CD2 4.37Å; L166-F448 HydrophobicContact CD2-CE2 3.97Å
167	T	97.2	Very high	92.5	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-91	-28.6	-175.5	56.5	0	0	0	0	113.3	Q133 P135 P136 I163 F182 V184	Q133-T167 HydrophobicContact CB-CG2 3.93Å; Q133-T167 HydrophobicContact CG-CG2 3.74Å; P135-T167 VanDerWaalsContact CA-O 3.31Å; P135-T167 WeakPolarHBondContact CA-O 3.46Å; P135-T167 WeakPolarHBondContact CB-O 3.37Å; P136-T167 VanDerWaalsContact CD-O 3.28Å; P136-T167 WeakPolarHBondContact CD-O 3.39Å; I163-T167 HydrophobicContact CG2-CG2 4.17Å; I163-T167 WeakPolarHBondContact O-CB 3.48Å; I163-T167 WeakPolarHBondContact O-CG2 3.35Å; I163-T167 PolarHBondContact O-N 2.78Å; I163-T167 PolarHBondContact O-OG1 3.04Å; T167-F182 WeakPolarHBondContact CG2-O 3.16Å; T167-V184 HydrophobicContact CG2-CB 4.17Å; T167-V184 HydrophobicContact CG2-CG2 3.78Å
168	D	96	Very high	91.5	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.053	22%	0.217	C	C	.	.			trans	-140	67.3	173.5	-167.1	-16.8	0	0	0	111.2	P136 K139 Y140 P164 I170 R171 C172	P136-D168 HydrophobicContact CG-CB 4.14Å; P136-D168 WeakPolarHBondContact CG-OD2 3.03Å; K139-D168 WeakPolarHBondContact CE-OD1 3.2Å; K139-D168 IonicContact NZ-OD1 2.82Å; K139-D168 PolarHBondContact NZ-OD1 3.12Å; K139-D168 IonicContact NZ-OD2 2.68Å; K139-D168 PolarHBondContact NZ-OD2 2.98Å; Y140-D168 WeakPolarHBondContact OH-CA 3.3Å; Y140-D168 PolarHBondContact OH-OD1 3.44Å; P164-D168 CarbonylContact O-C 3.58Å; P164-D168 PolarHBondContact O-N 3.35Å; D168-I170 PolarHBondContact O-N 3.15Å; D168-I170 VanDerWaalsContact O-N 3.14Å; D168-R171 HydrophobicContact CB-CB 4.11Å; D168-R171 PolarHBondContact O-N 2.78Å; D168-R171 VanDerWaalsContact O-N 3.15Å; D168-R171 VanDerWaalsContact OD1-CB 3.26Å; D168-R171 WeakPolarHBondContact OD1-CB 3.17Å; D168-R171 PolarHBondContact OD1-N 2.93Å; D168-R171 WeakPolarHBondContact OD2-CB 3.2Å; D168-R171 IonicContact OD2-NE 3.47Å; D168-C172 PolarHBondContact O-N 2.63Å
169	P	95.3	Very high	91.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30	-178.2	20.4	-34.5	0	0	0	114	Y140 M165 C172 G173 L174 G177 F448	Y140-P169 HydrophobicContact CE1-CG 3.73Å; Y140-P169 WeakPolarHBondContact OH-CD 3.47Å; M165-P169 VanDerWaalsContact O-CA 3.23Å; M165-P169 WeakPolarHBondContact O-CA 3.14Å; M165-P169 WeakPolarHBondContact O-CB 3.48Å; M165-P169 WeakPolarHBondContact O-CD 3.21Å; P169-C172 CarbonylContact O-C 3.6Å; P169-C172 PolarHBondContact O-N 2.81Å; P169-G173 PolarHBondContact O-N 2.85Å; P169-G173 VanDerWaalsContact O-N 3.14Å; P169-L174 HydrophobicContact CB-CB 3.9Å; P169-L174 HydrophobicContact CB-CD1 4.45Å; P169-L174 PolarHBondContact O-N 3.44Å; P169-G177 WeakPolarHBondContact CG-O 3.46Å; P169-F448 HydrophobicContact CB-CE2 4.04Å; P169-F448 HydrophobicContact CB-CZ 3.74Å; P169-F448 HydrophobicContact CG-CE1 4.22Å; P169-F448 HydrophobicContact CG-CE2 4.46Å; P169-F448 HydrophobicContact CG-CZ 3.67Å
170	I	93.3	Very high	90.9	Very high	80 Å²	80	40.9 Å²	40.9	41%	0.41	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-45.1	-179.4	-66.7	170.5	0	0	0	109.5	Y140 D168 C172 G173	Y140-I170 HydrophobicContact CE1-CD1 3.66Å; Y140-I170 HydrophobicContact CE1-CG1 3.89Å; Y140-I170 PolarHBondContact OH-N 2.95Å; Y140-I170 VanDerWaalsContact OH-N 3.13Å; D168-I170 PolarHBondContact O-N 3.15Å; D168-I170 VanDerWaalsContact O-N 3.14Å; I170-C172 PolarHBondContact O-N 3.04Å; I170-G173 PolarHBondContact O-N 3.18Å; I170-G173 VanDerWaalsContact O-N 3.13Å
171	R	93.2	Very high	90.9	Very high	168 Å²	168	39.3 Å²	39.3	63%	0.634	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.9	176.8	-175.5	-178.4	71.9	172.8	4.5	111.6	D168 G173	D168-R171 HydrophobicContact CB-CB 4.11Å; D168-R171 PolarHBondContact O-N 2.78Å; D168-R171 VanDerWaalsContact O-N 3.15Å; D168-R171 VanDerWaalsContact OD1-CB 3.26Å; D168-R171 WeakPolarHBondContact OD1-CB 3.17Å; D168-R171 PolarHBondContact OD1-N 2.93Å; D168-R171 WeakPolarHBondContact OD2-CB 3.2Å; D168-R171 IonicContact OD2-NE 3.47Å; R171-G173 VanDerWaalsContact C-N 3.34Å
172	C	92.8	Very high	90.9	Very high	50 Å²	50	36.2 Å²	36.2	34%	0.338	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.9	178.4	-65.7	0	0	0	0	114.3	M165 D168 P169 I170 L174	M165-C172 HydrophobicContact CB-CB 4.43Å; M165-C172 HydrophobicContact CG-CB 4.04Å; D168-C172 PolarHBondContact O-N 2.63Å; P169-C172 CarbonylContact O-C 3.6Å; P169-C172 PolarHBondContact O-N 2.81Å; I170-C172 PolarHBondContact O-N 3.04Å; C172-L174 VanDerWaalsContact C-N 3.34Å; C172-L174 PolarHBondContact O-N 3.13Å
173	G	91.4	Very high	91	Very high	60 Å²	60	37.7 Å²	37.7	62%	0.619	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	21.3	176.9	0	0	0	0	0	115	P169 I170 R171	P169-G173 PolarHBondContact O-N 2.85Å; P169-G173 VanDerWaalsContact O-N 3.14Å; I170-G173 PolarHBondContact O-N 3.18Å; I170-G173 VanDerWaalsContact O-N 3.13Å; R171-G173 VanDerWaalsContact C-N 3.34Å
174	L	89.4	Confident	91	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	23%	0.226	C	C	.	.			trans	-89.5	109.3	174.6	-70.4	177	0	0	0	110.6	M165 P169 C172 K441 A444 E445 F448	M165-L174 HydrophobicContact CB-CD1 3.76Å; M165-L174 HydrophobicContact CG-CD1 4.4Å; P169-L174 HydrophobicContact CB-CB 3.9Å; P169-L174 HydrophobicContact CB-CD1 4.45Å; P169-L174 PolarHBondContact O-N 3.44Å; C172-L174 VanDerWaalsContact C-N 3.34Å; C172-L174 PolarHBondContact O-N 3.13Å; L174-K441 HydrophobicContact CD2-CG 4.03Å; L174-A444 HydrophobicContact CD1-CB 4.03Å; L174-E445 HydrophobicContact CD2-CG 3.76Å; L174-F448 HydrophobicContact CD1-CE2 4.24Å
175	S	78.4	Confident	91.1	Very high	102 Å²	102	36.2 Å²	36.2	71%	0.713	22%	0.216	S	C	*	.	S	Bend	trans	-70.8	-34.1	179.6	54.3	0	0	0	0	113.2	G177 S178	S175-G177 PolarHBondContact O-N 2.69Å; S175-S178 WeakPolarHBondContact O-CB 3.19Å; S175-S178 PolarHBondContact O-N 3.4Å; S175-S178 VanDerWaalsContact O-N 3.13Å; S175-S178 PolarHBondContact O-OG 3.4Å
176	I	79.9	Confident	91.2	Very high	69 Å²	69	34.4 Å²	34.4	35%	0.354	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.1	-177.8	-162.7	163.3	0	0	0	112.9	E445 F448 L452	I176-E445 HydrophobicContact CG2-CG 4.4Å; I176-F448 HydrophobicContact CG1-CB 4.31Å; I176-F448 HydrophobicContact CG2-CB 3.79Å; I176-F448 HydrophobicContact CG2-CD2 4.21Å; I176-F448 HydrophobicContact CG2-CG 4.11Å; I176-L452 HydrophobicContact CD1-CD1 4.41Å; I176-L452 HydrophobicContact CG1-CD1 3.74Å
177	G	66.4	Low	91.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	17.3	178.2	0	0	0	0	0	114.4	P169 S175 A179 I180	P169-G177 WeakPolarHBondContact CG-O 3.46Å; S175-G177 PolarHBondContact O-N 2.69Å; G177-A179 PolarHBondContact O-N 2.91Å; G177-I180 PolarHBondContact O-N 2.82Å
178	S	75.8	Confident	91.3	Very high	74 Å²	74	34.3 Å²	34.3	52%	0.517	21%	0.207	S	C	.	.	S	Bend	trans	-64.3	-23.7	-172.6	52.1	0	0	0	0	114.9	S175	S175-S178 WeakPolarHBondContact O-CB 3.19Å; S175-S178 PolarHBondContact O-N 3.4Å; S175-S178 VanDerWaalsContact O-N 3.13Å; S175-S178 PolarHBondContact O-OG 3.4Å
179	A	86.6	Confident	91.4	Very high	54 Å²	54	33.8 Å²	33.8	45%	0.446	20%	0.204	S	C	.	.	S	Bend	trans	-99.9	-21.1	179.7	0	0	0	0	0	114.3	R141 G177	R141-A179 WeakPolarHBondContact CB-O 3.29Å; R141-A179 PolarHBondContact N-O 2.83Å; G177-A179 PolarHBondContact O-N 2.91Å
180	I	93.6	Very high	91.6	Very high	13 Å²	13	34 Å²	34	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.1	-170	63.8	163.4	0	0	0	111	Q142 Y144 G177 F448 Y451 L452	Q142-I180 HydrophobicContact CB-CG2 4.28Å; Q142-I180 WeakPolarHBondContact O-CA 3.33Å; Y144-I180 HydrophobicContact CD2-CB 4.44Å; Y144-I180 HydrophobicContact CD2-CD1 4.41Å; Y144-I180 HydrophobicContact CE2-CB 4.01Å; Y144-I180 HydrophobicContact CE2-CD1 4.18Å; Y144-I180 HydrophobicContact CE2-CG2 3.89Å; G177-I180 PolarHBondContact O-N 2.82Å; I180-F448 HydrophobicContact CD1-CD1 4.03Å; I180-F448 HydrophobicContact CD1-CE1 4.37Å; I180-F448 HydrophobicContact CG1-CD1 4.08Å; I180-F448 HydrophobicContact CG1-CE1 4.06Å; I180-Y451 HydrophobicContact CD1-CD1 3.3Å; I180-Y451 HydrophobicContact CD1-CE1 3.85Å; I180-Y451 HydrophobicContact CD1-CG 4.28Å; I180-L452 HydrophobicContact CD1-CD2 4.07Å
181	A	96	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	169.7	170.9	0	0	0	0	0	110.3	P135 Y140 Q142 T143 Y144	P135-A181 HydrophobicContact CB-CB 3.68Å; P135-A181 HydrophobicContact CG-CB 4.34Å; Y140-A181 HydrophobicContact CD1-CB 3.97Å; Y140-A181 HydrophobicContact CD2-CB 3.44Å; Y140-A181 VanDerWaalsContact CD2-CB 3.44Å; Y140-A181 HydrophobicContact CE1-CB 4.21Å; Y140-A181 HydrophobicContact CE2-CB 3.72Å; Y140-A181 HydrophobicContact CG-CB 3.59Å; Q142-A181 PolarHBondContact O-N 2.88Å; Q142-A181 VanDerWaalsContact O-N 3.16Å; T143-A181 CarbonylContact C-O 3.53Å; T143-A181 VanDerWaalsContact CA-O 3.23Å; T143-A181 WeakPolarHBondContact CA-O 3.21Å; Y144-A181 PolarHBondContact N-O 2.89Å
182	F	97.3	Very high	92.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.3	177.2	-61.5	-78	0	0	0	111.4	Y144 L146 L166 T167 V184 L225 I447 F448 Y451	Y144-F182 CarbonylContact O-C 3.59Å; Y144-F182 VanDerWaalsContact O-CA 3.23Å; Y144-F182 WeakPolarHBondContact O-CA 3.49Å; L146-F182 HydrophobicContact CB-CB 4.15Å; L146-F182 HydrophobicContact CB-CD1 3.94Å; L146-F182 HydrophobicContact CB-CG 4.28Å; L146-F182 HydrophobicContact CD2-CB 4.24Å; L146-F182 HydrophobicContact CD2-CD1 4.06Å; L146-F182 HydrophobicContact CD2-CD2 4.36Å; L146-F182 HydrophobicContact CD2-CG 3.96Å; L166-F182 HydrophobicContact CB-CB 4.25Å; L166-F182 HydrophobicContact CB-CD2 3.97Å; L166-F182 HydrophobicContact CD2-CD2 3.7Å; L166-F182 HydrophobicContact CD2-CE2 3.91Å; L166-F182 HydrophobicContact CG-CD2 4.42Å; L166-F182 PolarHBondContact O-N 3.45Å; T167-F182 WeakPolarHBondContact CG2-O 3.16Å; F182-V184 HydrophobicContact CB-CG2 3.81Å; F182-L225 HydrophobicContact CD1-CD1 4.44Å; F182-L225 HydrophobicContact CE1-CD1 3.74Å; F182-I447 HydrophobicContact CE2-CG2 3.93Å; F182-I447 HydrophobicContact CZ-CG2 3.93Å; F182-F448 HydrophobicContact CD2-CD1 4.37Å; F182-F448 AromaticContact CD2-CE1 3.79Å; F182-F448 HydrophobicContact CD2-CE1 3.79Å; F182-F448 HydrophobicContact CD2-CE2 4.42Å; F182-F448 AromaticContact CD2-CZ 3.8Å; F182-F448 HydrophobicContact CD2-CZ 3.8Å; F182-F448 AromaticContact CE2-CD1 3.47Å; F182-F448 HydrophobicContact CE2-CD1 3.47Å; F182-F448 VanDerWaalsContact CE2-CD1 3.47Å; F182-F448 HydrophobicContact CE2-CD2 4.23Å; F182-F448 AromaticContact CE2-CE1 3.33Å; F182-F448 HydrophobicContact CE2-CE1 3.33Å; F182-F448 HydrophobicContact CE2-CE2 4.12Å; F182-F448 AromaticContact CE2-CG 3.92Å; F182-F448 HydrophobicContact CE2-CG 3.92Å; F182-F448 AromaticContact CE2-CZ 3.66Å; F182-F448 HydrophobicContact CE2-CZ 3.66Å; F182-F448 HydrophobicContact CZ-CD1 4.07Å; F182-F448 HydrophobicContact CZ-CE1 4.23Å; F182-Y451 HydrophobicContact CE1-CG 4.42Å; F182-Y451 HydrophobicContact CZ-CG 4.5Å
183	E	98	Very high	92.3	Very high	32 Å²	32	20.1 Å²	20.1	15%	0.15	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	107.4	159.2	175	165.4	-176	0	0	107	H132 K134 Y144 P145 L146	H132-E183 IonicContact CE1-OE1 3.09Å; H132-E183 PolarHBondContact CE1-OE1 3.06Å; H132-E183 IonicContact NE2-OE1 2.69Å; H132-E183 PolarHBondContact NE2-OE1 2.7Å; H132-E183 VanDerWaalsContact NE2-OE1 3.08Å; K134-E183 WeakPolarHBondContact CE-OE1 3.45Å; K134-E183 HydrophobicContact CG-CG 4.15Å; K134-E183 IonicContact NZ-OE1 3.69Å; K134-E183 PolarHBondContact NZ-OE1 2.86Å; Y144-E183 PolarHBondContact O-N 3.3Å; P145-E183 CarbonylContact C-O 3.51Å; P145-E183 WeakPolarHBondContact CA-O 3.24Å; L146-E183 PolarHBondContact N-O 2.88Å
184	V	98.8	Very high	92.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.7	-166.8	177.6	0	0	0	0	110.5	H132 Q133 L146 L148 I163 L166 T167 F182	H132-V184 CarbonylContact C-O 3.46Å; H132-V184 WeakPolarHBondContact CA-O 3.38Å; Q133-V184 PolarHBondContact N-O 3.43Å; Q133-V184 PolarHBondContact O-N 3.47Å; L146-V184 CarbonylContact O-C 3.6Å; L146-V184 WeakPolarHBondContact O-CA 3.41Å; L148-V184 HydrophobicContact CD1-CG1 3.56Å; L148-V184 HydrophobicContact CG-CG1 3.79Å; I163-V184 HydrophobicContact CG1-CG1 3.98Å; L166-V184 HydrophobicContact CB-CG2 3.94Å; L166-V184 HydrophobicContact CD1-CG2 4.33Å; T167-V184 HydrophobicContact CG2-CB 4.17Å; T167-V184 HydrophobicContact CG2-CG2 3.78Å; F182-V184 HydrophobicContact CB-CG2 3.81Å
185	T	98.9	Very high	93.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.4	166.7	-54.5	0	0	0	0	108.8	F130 I131 H132 L146 V147 L148 L215 M216 L219	F130-T185 HydrophobicContact CD2-CG2 4.07Å; I131-T185 CarbonylContact O-C 3.57Å; I131-T185 VanDerWaalsContact O-CA 3.29Å; I131-T185 WeakPolarHBondContact O-CA 3.45Å; H132-T185 PolarHBondContact ND1-OG1 3.08Å; L146-T185 PolarHBondContact O-N 3.31Å; V147-T185 CarbonylContact C-O 3.59Å; V147-T185 VanDerWaalsContact CA-O 3.22Å; V147-T185 WeakPolarHBondContact CA-O 3.38Å; L148-T185 PolarHBondContact N-O 3.02Å; T185-L215 HydrophobicContact CG2-CD2 4.23Å; T185-M216 HydrophobicContact CG2-SD 4.21Å; T185-L219 HydrophobicContact CG2-CD1 3.82Å
186	A	98.8	Very high	94	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	90.6	176.2	0	0	0	0	0	109.3	I131 L148 A156 F159 I163	I131-A186 HydrophobicContact CB-CB 4.26Å; I131-A186 PolarHBondContact N-O 3.33Å; I131-A186 PolarHBondContact O-N 3.4Å; L148-A186 HydrophobicContact CB-CB 4.18Å; L148-A186 WeakPolarHBondContact O-CA 3.32Å; A156-A186 HydrophobicContact CB-CB 4.49Å; F159-A186 HydrophobicContact CD2-CB 4.01Å; I163-A186 HydrophobicContact CD1-CB 4.35Å
187	P	98.8	Very high	94.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	150.5	179.7	32.4	-35.5	0	0	0	111.9	F130 V147 L148 H150 F212 L215	F130-P187 HydrophobicContact CB-CB 4.05Å; V147-P187 HydrophobicContact CG2-CG 4.09Å; L148-P187 WeakPolarHBondContact O-CD 3.3Å; H150-P187 PolarHBondContact CD2-O 3.19Å; P187-F212 HydrophobicContact CB-CD1 3.8Å; P187-F212 HydrophobicContact CB-CE1 3.47Å; P187-F212 VanDerWaalsContact CB-CE1 3.47Å; P187-F212 HydrophobicContact CB-CG 4.44Å; P187-F212 HydrophobicContact CB-CZ 3.84Å; P187-F212 HydrophobicContact CG-CD1 3.78Å; P187-F212 HydrophobicContact CG-CD2 3.97Å; P187-F212 HydrophobicContact CG-CE1 3.69Å; P187-F212 HydrophobicContact CG-CE2 3.89Å; P187-F212 HydrophobicContact CG-CG 3.92Å; P187-F212 HydrophobicContact CG-CZ 3.7Å; P187-L215 HydrophobicContact CB-CD2 3.67Å; P187-L215 HydrophobicContact CG-CD2 4.37Å
188	T	98.8	Very high	96.3	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.025	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-90.7	126.3	169.1	-58.8	0	0	0	0	109.7	H129 H150 A156 Y192 S195	H129-T188 PolarHBondContact ND1-OG1 2.79Å; H129-T188 PolarHBondContact O-N 3.27Å; H150-T188 WeakPolarHBondContact NE2-CA 3.47Å; A156-T188 WeakPolarHBondContact CB-OG1 3.27Å; T188-Y192 VanDerWaalsContact CG2-C 3.44Å; T188-Y192 WeakPolarHBondContact CG2-O 3.41Å; T188-S195 WeakPolarHBondContact CB-OG 3.14Å; T188-S195 WeakPolarHBondContact O-CB 3.42Å; T188-S195 PolarHBondContact O-OG 2.89Å
189	I	98.8	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-55.4	134.6	178.2	-63.7	171.8	0	0	0	109.9	H150 G191 Y192 F212 I235 I376	H150-I189 PolarHBondContact NE2-N 3.09Å; H150-I189 VanDerWaalsContact NE2-N 3.14Å; H150-I189 WeakPolarHBondContact O-CD1 3.45Å; I189-G191 PolarHBondContact O-N 3.17Å; I189-Y192 HydrophobicContact CB-CD2 3.65Å; I189-Y192 HydrophobicContact CB-CE2 4.16Å; I189-Y192 HydrophobicContact CB-CG 4.04Å; I189-Y192 HydrophobicContact CG2-CD2 3.59Å; I189-Y192 HydrophobicContact CG2-CE2 3.73Å; I189-Y192 HydrophobicContact CG2-CG 4.46Å; I189-Y192 WeakPolarHBondContact O-CA 3.2Å; I189-Y192 VanDerWaalsContact O-CB 3.24Å; I189-Y192 WeakPolarHBondContact O-CB 3.46Å; I189-Y192 PolarHBondContact O-N 3.4Å; I189-F212 HydrophobicContact CB-CZ 4.38Å; I189-F212 HydrophobicContact CG1-CE2 4.07Å; I189-F212 HydrophobicContact CG1-CZ 3.85Å; I189-I235 HydrophobicContact CD1-CD1 3.56Å; I189-I235 HydrophobicContact CG1-CD1 3.89Å; I189-I376 HydrophobicContact CG2-CD1 3.86Å
190	P	98.6	Very high	97.7	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.019	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	131	175.3	-30.4	39.4	0	0	0	112.7	L126 I128 S196 P198 F203 I211	L126-P190 HydrophobicContact CD1-CB 3.89Å; L126-P190 HydrophobicContact CD1-CG 4.11Å; I128-P190 HydrophobicContact CD1-CG 3.75Å; P190-S196 CarbonylContact C-O 3.51Å; P190-S196 WeakPolarHBondContact CA-O 3.33Å; P190-P198 HydrophobicContact CB-CG 4.06Å; P190-F203 HydrophobicContact CB-CD1 4.44Å; P190-F203 HydrophobicContact CB-CE1 3.66Å; P190-F203 HydrophobicContact CB-CE2 4.15Å; P190-F203 HydrophobicContact CB-CZ 3.51Å; P190-F203 HydrophobicContact CG-CE1 3.95Å; P190-F203 HydrophobicContact CG-CE2 4.08Å; P190-F203 HydrophobicContact CG-CZ 3.37Å; P190-I211 HydrophobicContact CG-CD1 4.41Å
191	G	98.1	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	1.8	-171.5	0	0	0	0	0	115.1	I189 S196 C369 S372 S373	I189-G191 PolarHBondContact O-N 3.17Å; G191-S196 PolarHBondContact N-O 3.03Å; G191-C369 WeakPolarHBondContact O-CB 3.11Å; G191-S372 CarbonylContact O-C 3.57Å; G191-S372 WeakPolarHBondContact O-CB 3.49Å; G191-S372 PolarHBondContact O-OG 3.28Å; G191-S373 WeakPolarHBondContact O-CA 3.2Å; G191-S373 PolarHBondContact O-N 3.05Å
192	Y	98.6	Very high	97.6	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	14%	0.136	C	C	.	.	S	Bend	trans	-113.8	154.3	172.1	-65.8	-119.8	0	0	0	109.8	H150 W152 T188 I189 W194 S195 Y364 S373 I376	H150-Y192 AromaticContact CE1-CD1 3.7Å; H150-Y192 AromaticContact CE1-CG 3.97Å; W152-Y192 HydrophobicContact CB-CE1 3.84Å; W152-Y192 WeakPolarHBondContact CB-OH 3.01Å; W152-Y192 AromaticContact CD1-CE1 3.72Å; W152-Y192 HydrophobicContact CG-CE1 4.21Å; T188-Y192 VanDerWaalsContact CG2-C 3.44Å; T188-Y192 WeakPolarHBondContact CG2-O 3.41Å; I189-Y192 HydrophobicContact CB-CD2 3.65Å; I189-Y192 HydrophobicContact CB-CE2 4.16Å; I189-Y192 HydrophobicContact CB-CG 4.04Å; I189-Y192 HydrophobicContact CG2-CD2 3.59Å; I189-Y192 HydrophobicContact CG2-CE2 3.73Å; I189-Y192 HydrophobicContact CG2-CG 4.46Å; I189-Y192 WeakPolarHBondContact O-CA 3.2Å; I189-Y192 VanDerWaalsContact O-CB 3.24Å; I189-Y192 WeakPolarHBondContact O-CB 3.46Å; I189-Y192 PolarHBondContact O-N 3.4Å; Y192-W194 PolarHBondContact O-N 3.04Å; Y192-S195 PolarHBondContact O-N 3.33Å; Y192-Y364 HydrophobicContact CD1-CE1 4.29Å; Y192-Y364 VanDerWaalsContact CD1-OH 3.25Å; Y192-Y364 WeakPolarHBondContact CD1-OH 3.45Å; Y192-Y364 WeakPolarHBondContact CE1-OH 3.34Å; Y192-S373 VanDerWaalsContact CE2-CA 3.42Å; Y192-S373 WeakPolarHBondContact CE2-O 3.46Å; Y192-S373 VanDerWaalsContact CZ-CB 3.49Å; Y192-S373 PolarHBondContact OH-O 2.74Å; Y192-I376 HydrophobicContact CE2-CG2 4.32Å; Y192-I376 WeakPolarHBondContact OH-CG2 3.45Å
193	G	97.7	Very high	97.5	Very high	7 Å²	7	29.4 Å²	29.4	7%	0.072	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	-127.5	175.1	0	0	0	0	0	112.6	P367 C369	G193-P367 WeakPolarHBondContact O-CB 3.4Å; G193-P367 WeakPolarHBondContact O-CG 3.2Å; G193-C369 PolarHBondContact N-SG 3.13Å
194	W	97.9	Very high	97.4	Very high	46 Å²	46	27.9 Å²	27.9	17%	0.174	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.3	-179.8	-63.5	-87.7	0	0	0	114.7	F53 L55 H129 M157 Y192 I363	F53-W194 HydrophobicContact CE1-CB 4.14Å; F53-W194 HydrophobicContact CE1-CD2 4.42Å; F53-W194 AromaticContact CE1-CG 4Å; F53-W194 HydrophobicContact CE1-CG 4Å; F53-W194 HydrophobicContact CZ-CB 3.91Å; F53-W194 AromaticContact CZ-CD1 3.63Å; F53-W194 HydrophobicContact CZ-CD2 4.47Å; F53-W194 AromaticContact CZ-CG 3.72Å; F53-W194 HydrophobicContact CZ-CG 3.72Å; L55-W194 HydrophobicContact CD1-CH2 4.44Å; L55-W194 HydrophobicContact CD2-CD2 3.39Å; L55-W194 HydrophobicContact CD2-CE3 3.54Å; L55-W194 HydrophobicContact CD2-CG 4.18Å; L55-W194 HydrophobicContact CD2-CH2 3.46Å; L55-W194 VanDerWaalsContact CD2-CH2 3.46Å; L55-W194 HydrophobicContact CD2-CZ2 3.31Å; L55-W194 HydrophobicContact CD2-CZ3 3.57Å; H129-W194 HydrophobicContact CB-CB 4.01Å; M157-W194 HydrophobicContact CE-CE3 3.92Å; M157-W194 HydrophobicContact CE-CH2 4.4Å; M157-W194 HydrophobicContact CE-CZ3 3.45Å; M157-W194 VanDerWaalsContact CE-CZ3 3.45Å; Y192-W194 PolarHBondContact O-N 3.04Å; W194-I363 HydrophobicContact CH2-CB 4.49Å; W194-I363 HydrophobicContact CH2-CG1 4.12Å; W194-I363 HydrophobicContact CH2-CG2 4.3Å; W194-I363 HydrophobicContact CZ3-CG1 4.37Å; W194-I363 HydrophobicContact CZ3-CG2 3.99Å
195	S	98.7	Very high	97.2	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.042	13%	0.132	C	C	.	.	S	Bend	trans	-81.3	141.5	169.6	-79.5	0	0	0	0	110.5	H129 T188 Y192 S197	H129-S195 PolarHBondContact N-OG 2.85Å; H129-S195 PolarHBondContact O-OG 3.06Å; T188-S195 WeakPolarHBondContact CB-OG 3.14Å; T188-S195 WeakPolarHBondContact O-CB 3.42Å; T188-S195 PolarHBondContact O-OG 2.89Å; Y192-S195 PolarHBondContact O-N 3.33Å; S195-S197 PolarHBondContact O-N 3.21Å
196	S	98	Very high	97	Very high	43 Å²	43	28.9 Å²	28.9	30%	0.301	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-57.4	138.1	179.8	-64.8	0	0	0	0	111.9	K127 P190 G191	K127-S196 VanDerWaalsContact CB-OG 3.31Å; K127-S196 WeakPolarHBondContact CB-OG 3.37Å; K127-S196 PolarHBondContact N-OG 3.24Å; K127-S196 VanDerWaalsContact N-OG 3.15Å; K127-S196 PolarHBondContact O-N 3.07Å; K127-S196 PolarHBondContact O-OG 3.06Å; P190-S196 CarbonylContact C-O 3.51Å; P190-S196 WeakPolarHBondContact CA-O 3.33Å; G191-S196 PolarHBondContact N-O 3.03Å
197	S	97.6	Very high	96.8	Very high	26 Å²	26	29 Å²	29	18%	0.182	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-71	131.9	170.3	-44.3	0	0	0	0	110.7	S195 R199 S372	S195-S197 PolarHBondContact O-N 3.21Å; S197-R199 WeakPolarHBondContact O-CD 3.43Å; S197-R199 WeakPolarHBondContact O-CG 3.28Å; S197-R199 PolarHBondContact O-N 3.49Å; S197-R199 PolarHBondContact O-NE 3.43Å; S197-S372 VanDerWaalsContact OG-CB 3.25Å; S197-S372 WeakPolarHBondContact OG-CB 3.34Å; S197-S372 PolarHBondContact OG-OG 2.98Å; S197-S372 VanDerWaalsContact OG-OG 3.06Å
198	P	97.8	Very high	96.8	Very high	25 Å²	25	29 Å²	29	16%	0.162	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-53.9	134.9	169.1	-23.9	32.2	0	0	0	111.9	F38 P190 F203	F38-P198 HydrophobicContact CB-CB 4.22Å; P190-P198 HydrophobicContact CB-CG 4.06Å; P198-F203 HydrophobicContact CB-CB 3.52Å; P198-F203 HydrophobicContact CB-CD1 4.31Å; P198-F203 HydrophobicContact CB-CD2 4.23Å; P198-F203 HydrophobicContact CB-CG 3.74Å; P198-F203 HydrophobicContact CG-CB 3.56Å; P198-F203 HydrophobicContact CG-CD1 3.35Å; P198-F203 HydrophobicContact CG-CD2 3.8Å; P198-F203 HydrophobicContact CG-CE1 4.03Å; P198-F203 HydrophobicContact CG-CE2 4.42Å; P198-F203 HydrophobicContact CG-CG 3.22Å
199	R	96.4	Very high	96.7	Very high	138 Å²	138	28.8 Å²	28.8	52%	0.521	14%	0.136	S	C	.	.			trans	-105.9	-0.7	-177.1	-55.8	-56.5	-167	-173.6	3.2	113.5	F38 H40 S197	F38-R199 WeakPolarHBondContact O-CB 3.41Å; F38-R199 PolarHBondContact O-N 3.25Å; H40-R199 VanDerWaalsContact CE1-CD 3.44Å; H40-R199 WeakPolarHBondContact CE1-CD 3.31Å; H40-R199 PolarHBondContact CE1-NE 3.09Å; H40-R199 VanDerWaalsContact CE1-NE 3.3Å; H40-R199 WeakPolarHBondContact NE2-CD 3.34Å; H40-R199 PolarHBondContact NE2-NE 3.48Å; S197-R199 WeakPolarHBondContact O-CD 3.43Å; S197-R199 WeakPolarHBondContact O-CG 3.28Å; S197-R199 PolarHBondContact O-N 3.49Å; S197-R199 PolarHBondContact O-NE 3.43Å
200	K	95	Very high	96.6	Very high	82 Å²	82	29 Å²	29	36%	0.357	14%	0.136	S	C	.	.	S	Bend	trans	-127.1	154.3	175.4	-53.2	-167.1	-167.3	177.2	0	109.3	Y37 F38 G39 G41	Y37-K200 VanDerWaalsContact O-CD 3.3Å; Y37-K200 WeakPolarHBondContact O-CD 3.24Å; F38-K200 HydrophobicContact CD1-CB 4.33Å; G39-K200 WeakPolarHBondContact O-CE 3.49Å; G41-K200 WeakPolarHBondContact O-CE 3.45Å; G41-K200 PolarHBondContact O-NZ 3.49Å
201	R	94.2	Very high	96.6	Very high	184 Å²	184	28.9 Å²	28.9	69%	0.694	14%	0.136	S	C	*	.	S	Bend	trans	-66.4	162.2	171.9	-65.2	-173.6	-176.1	-173.4	1.3	110.2	E379	R201-E379 WeakPolarHBondContact CA-OE2 3.32Å
202	G	92.9	Very high	96.6	Very high	15 Å²	15	28.9 Å²	28.9	16%	0.155	14%	0.136	C	C	.	.			trans	91.4	9.7	-178.4	0	0	0	0	0	114.3	G204 E379 Q383	G202-G204 PolarHBondContact O-N 3.45Å; G202-E379 PolarHBondContact N-OE2 3.46Å; G202-Q383 VanDerWaalsContact C-NE2 3.26Å; G202-Q383 PolarHBondContact O-NE2 3.49Å
203	F	95.6	Very high	96.6	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.026	14%	0.136	C	C	.	.			trans	-88.7	81.9	172.7	-165.1	-88.6	0	0	0	111.6	F38 L126 P190 P198 A207 A208 I211 E379	F38-F203 HydrophobicContact CD1-CB 3.96Å; F38-F203 HydrophobicContact CD1-CD2 4.07Å; F38-F203 AromaticContact CD2-CD2 3.64Å; F38-F203 HydrophobicContact CD2-CD2 3.64Å; F38-F203 HydrophobicContact CD2-CE2 4.19Å; F38-F203 HydrophobicContact CE1-CB 3.92Å; F38-F203 HydrophobicContact CE1-CD2 4.16Å; F38-F203 AromaticContact CE2-CD2 3.7Å; F38-F203 HydrophobicContact CE2-CD2 3.7Å; F38-F203 HydrophobicContact CE2-CE2 4.28Å; F38-F203 AromaticContact CG-CD2 3.82Å; F38-F203 HydrophobicContact CG-CD2 3.82Å; F38-F203 HydrophobicContact CZ-CB 4.39Å; F38-F203 AromaticContact CZ-CD2 3.98Å; F38-F203 HydrophobicContact CZ-CD2 3.98Å; L126-F203 HydrophobicContact CD1-CD2 4.29Å; L126-F203 HydrophobicContact CD1-CE2 3.99Å; P190-F203 HydrophobicContact CB-CD1 4.44Å; P190-F203 HydrophobicContact CB-CE1 3.66Å; P190-F203 HydrophobicContact CB-CE2 4.15Å; P190-F203 HydrophobicContact CB-CZ 3.51Å; P190-F203 HydrophobicContact CG-CE1 3.95Å; P190-F203 HydrophobicContact CG-CE2 4.08Å; P190-F203 HydrophobicContact CG-CZ 3.37Å; P198-F203 HydrophobicContact CB-CB 3.52Å; P198-F203 HydrophobicContact CB-CD1 4.31Å; P198-F203 HydrophobicContact CB-CD2 4.23Å; P198-F203 HydrophobicContact CB-CG 3.74Å; P198-F203 HydrophobicContact CG-CB 3.56Å; P198-F203 HydrophobicContact CG-CD1 3.35Å; P198-F203 HydrophobicContact CG-CD2 3.8Å; P198-F203 HydrophobicContact CG-CE1 4.03Å; P198-F203 HydrophobicContact CG-CE2 4.42Å; P198-F203 HydrophobicContact CG-CG 3.22Å; F203-A207 HydrophobicContact CD2-CB 3.79Å; F203-A207 HydrophobicContact CE2-CB 3.84Å; F203-A207 HydrophobicContact CG-CB 4.42Å; F203-A208 HydrophobicContact CE1-CB 4.07Å; F203-A208 HydrophobicContact CZ-CB 3.84Å; F203-I211 HydrophobicContact CE2-CD1 3.57Å; F203-I211 HydrophobicContact CE2-CG1 4.49Å; F203-I211 HydrophobicContact CZ-CD1 4.21Å; F203-E379 VanDerWaalsContact O-CB 3.26Å; F203-E379 WeakPolarHBondContact O-CB 3.25Å
204	G	94.8	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-105	-167.2	172.3	0	0	0	0	0	113.6	G202 T206 A207 A208 T380 Q383	G202-G204 PolarHBondContact O-N 3.45Å; G204-T206 VanDerWaalsContact C-N 3.3Å; G204-T206 PolarHBondContact O-N 2.92Å; G204-A207 PolarHBondContact O-N 3.24Å; G204-A208 PolarHBondContact O-N 3.21Å; G204-A208 VanDerWaalsContact O-N 3.1Å; G204-T380 WeakPolarHBondContact CA-OG1 3.44Å; G204-Q383 VanDerWaalsContact CA-OE1 3.3Å
205	I	95.2	Very high	96.6	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-53.4	-45.4	178.8	-66.2	-65.4	0	0	0	111.9	A207 A208 S209 L234 I235 N238 I376 T380	I205-A207 VanDerWaalsContact C-N 3.34Å; I205-A207 PolarHBondContact O-N 2.91Å; I205-A208 PolarHBondContact O-N 3.22Å; I205-S209 PolarHBondContact O-N 3.18Å; I205-S209 PolarHBondContact O-OG 2.85Å; I205-S209 VanDerWaalsContact O-OG 3.13Å; I205-L234 HydrophobicContact CD1-CB 4.09Å; I205-L234 HydrophobicContact CD1-CD1 4.46Å; I205-L234 HydrophobicContact CG1-CB 4.26Å; I205-L234 HydrophobicContact CG1-CD1 4.4Å; I205-L234 HydrophobicContact CG2-CB 3.85Å; I205-I235 HydrophobicContact CD1-CD1 4.19Å; I205-I235 HydrophobicContact CD1-CG1 3.7Å; I205-I235 HydrophobicContact CG2-CG1 3.98Å; I205-N238 HydrophobicContact CG2-CB 4.44Å; I205-I376 HydrophobicContact CD1-CD1 3.96Å; I205-I376 HydrophobicContact CD1-CG1 4.41Å; I205-T380 HydrophobicContact CB-CG2 4.23Å; I205-T380 HydrophobicContact CG1-CG2 3.7Å; I205-T380 PolarHBondContact N-OG1 3.29Å; I205-T380 VanDerWaalsContact N-OG1 3.1Å
206	T	94.4	Very high	96.6	Very high	14 Å²	14	28 Å²	28	9%	0.086	13%	0.13	C	C	.	.	H	α-helix	trans	-57.5	-44.9	-179.3	-56.7	0	0	0	0	111.7	G204 S209 R210 M242 D385 S386 Y389	G204-T206 VanDerWaalsContact C-N 3.3Å; G204-T206 PolarHBondContact O-N 2.92Å; T206-S209 PolarHBondContact O-N 3.19Å; T206-R210 PolarHBondContact O-N 3.32Å; T206-M242 HydrophobicContact CG2-CE 3.3Å; T206-D385 HydrophobicContact CG2-CB 4.33Å; T206-S386 PolarHBondContact OG1-OG 3.36Å; T206-Y389 HydrophobicContact CG2-CD2 4.24Å; T206-Y389 HydrophobicContact CG2-CE2 3.89Å
207	A	95.5	Very high	96.6	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-44.5	176.3	0	0	0	0	0	111.7	F38 F203 G204 I205 S209 R210 I211	F38-A207 HydrophobicContact CE2-CB 3.97Å; F38-A207 HydrophobicContact CZ-CB 3.95Å; F203-A207 HydrophobicContact CD2-CB 3.79Å; F203-A207 HydrophobicContact CE2-CB 3.84Å; F203-A207 HydrophobicContact CG-CB 4.42Å; G204-A207 PolarHBondContact O-N 3.24Å; I205-A207 VanDerWaalsContact C-N 3.34Å; I205-A207 PolarHBondContact O-N 2.91Å; A207-S209 VanDerWaalsContact C-N 3.34Å; A207-S209 PolarHBondContact O-N 3.03Å; A207-R210 PolarHBondContact O-N 2.83Å; A207-I211 WeakPolarHBondContact O-CG1 3.36Å; A207-I211 PolarHBondContact O-N 3.32Å
208	A	97.6	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-42.2	177	0	0	0	0	0	112.4	F203 G204 I205 R210 I211 F212 I235	F203-A208 HydrophobicContact CE1-CB 4.07Å; F203-A208 HydrophobicContact CZ-CB 3.84Å; G204-A208 PolarHBondContact O-N 3.21Å; G204-A208 VanDerWaalsContact O-N 3.1Å; I205-A208 PolarHBondContact O-N 3.22Å; A208-R210 PolarHBondContact O-N 3.28Å; A208-I211 PolarHBondContact O-N 3.42Å; A208-F212 WeakPolarHBondContact O-CG 3.15Å; A208-F212 PolarHBondContact O-N 3.46Å; A208-I235 HydrophobicContact CB-CD1 3.84Å; A208-I235 HydrophobicContact CB-CG1 4.09Å; A208-I235 HydrophobicContact CB-CG2 4.48Å
209	S	97.3	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.2	-65.7	0	0	0	0	112.8	I205 T206 A207 F212 A213 I235 N238 M239	I205-S209 PolarHBondContact O-N 3.18Å; I205-S209 PolarHBondContact O-OG 2.85Å; I205-S209 VanDerWaalsContact O-OG 3.13Å; T206-S209 PolarHBondContact O-N 3.19Å; A207-S209 VanDerWaalsContact C-N 3.34Å; A207-S209 PolarHBondContact O-N 3.03Å; S209-F212 PolarHBondContact O-N 2.73Å; S209-A213 PolarHBondContact O-N 3.28Å; S209-I235 VanDerWaalsContact OG-CA 3.26Å; S209-I235 WeakPolarHBondContact OG-CA 3.4Å; S209-I235 WeakPolarHBondContact OG-CG2 3.28Å; S209-I235 PolarHBondContact OG-O 3.39Å; S209-N238 WeakPolarHBondContact OG-CB 3.45Å; S209-M239 WeakPolarHBondContact O-CG 3.28Å
210	R	96.7	Very high	96.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-43.4	175.7	174.7	-160.7	53.3	177.3	-8.5	111.5	V33 D34 E124 T206 A207 A208 F212 A213 K214	V33-R210 HydrophobicContact CG1-CB 3.83Å; V33-R210 HydrophobicContact CG1-CG 3.81Å; D34-R210 PolarHBondContact O-NH1 3.35Å; E124-R210 WeakPolarHBondContact OE1-CD 3.43Å; E124-R210 IonicContact OE1-CZ 2.68Å; E124-R210 IonicContact OE1-NE 3.61Å; E124-R210 PolarHBondContact OE1-NE 2.81Å; E124-R210 IonicContact OE1-NH1 2.98Å; E124-R210 PolarHBondContact OE1-NH1 3.44Å; E124-R210 VanDerWaalsContact OE1-NH1 3.14Å; E124-R210 IonicContact OE1-NH2 3.93Å; E124-R210 PolarHBondContact OE1-NH2 3.37Å; E124-R210 IonicContact OE2-CZ 2.9Å; E124-R210 IonicContact OE2-NE 2.92Å; E124-R210 PolarHBondContact OE2-NE 3.17Å; E124-R210 IonicContact OE2-NH1 3.14Å; E124-R210 IonicContact OE2-NH2 3.31Å; E124-R210 PolarHBondContact OE2-NH2 2.85Å; T206-R210 PolarHBondContact O-N 3.32Å; A207-R210 PolarHBondContact O-N 2.83Å; A208-R210 PolarHBondContact O-N 3.28Å; R210-F212 VanDerWaalsContact C-N 3.29Å; R210-F212 PolarHBondContact O-N 3.44Å; R210-A213 WeakPolarHBondContact O-CB 3.41Å; R210-A213 PolarHBondContact O-N 2.96Å; R210-K214 HydrophobicContact CG-CD 4.48Å; R210-K214 WeakPolarHBondContact O-CG 3.36Å; R210-K214 PolarHBondContact O-N 3.46Å
211	I	98	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-42.8	176.6	-74.4	-168.8	0	0	0	111.1	I123 E124 L126 I128 P190 F203 A207 A208 K214 L215	I123-I211 HydrophobicContact CB-CG2 4.32Å; I123-I211 HydrophobicContact CD1-CG2 4.48Å; I123-I211 HydrophobicContact CG2-CB 4.39Å; I123-I211 HydrophobicContact CG2-CG1 4.16Å; I123-I211 HydrophobicContact CG2-CG2 4.08Å; E124-I211 HydrophobicContact CB-CD1 4.34Å; E124-I211 WeakPolarHBondContact OE2-CG1 3.46Å; L126-I211 HydrophobicContact CD1-CD1 3.64Å; I128-I211 HydrophobicContact CD1-CG2 3.78Å; I128-I211 HydrophobicContact CG1-CG2 4.01Å; P190-I211 HydrophobicContact CG-CD1 4.41Å; F203-I211 HydrophobicContact CE2-CD1 3.57Å; F203-I211 HydrophobicContact CE2-CG1 4.49Å; F203-I211 HydrophobicContact CZ-CD1 4.21Å; A207-I211 WeakPolarHBondContact O-CG1 3.36Å; A207-I211 PolarHBondContact O-N 3.32Å; A208-I211 PolarHBondContact O-N 3.42Å; I211-K214 WeakPolarHBondContact O-CB 3.19Å; I211-K214 PolarHBondContact O-N 3.18Å; I211-L215 PolarHBondContact O-N 2.84Å
212	F	98.6	Very high	97	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-70	-34.6	177.3	-66.9	-15.4	0	0	0	113	I149 P187 I189 A208 S209 R210 K214 L215 M216 I235 M239	I149-F212 HydrophobicContact CD1-CD2 3.94Å; I149-F212 HydrophobicContact CD1-CE2 4.46Å; I149-F212 HydrophobicContact CG1-CD2 4.3Å; I149-F212 HydrophobicContact CG1-CE2 4.47Å; I149-F212 HydrophobicContact CG2-CD2 4.17Å; I149-F212 HydrophobicContact CG2-CE2 3.62Å; P187-F212 HydrophobicContact CB-CD1 3.8Å; P187-F212 HydrophobicContact CB-CE1 3.47Å; P187-F212 VanDerWaalsContact CB-CE1 3.47Å; P187-F212 HydrophobicContact CB-CG 4.44Å; P187-F212 HydrophobicContact CB-CZ 3.84Å; P187-F212 HydrophobicContact CG-CD1 3.78Å; P187-F212 HydrophobicContact CG-CD2 3.97Å; P187-F212 HydrophobicContact CG-CE1 3.69Å; P187-F212 HydrophobicContact CG-CE2 3.89Å; P187-F212 HydrophobicContact CG-CG 3.92Å; P187-F212 HydrophobicContact CG-CZ 3.7Å; I189-F212 HydrophobicContact CB-CZ 4.38Å; I189-F212 HydrophobicContact CG1-CE2 4.07Å; I189-F212 HydrophobicContact CG1-CZ 3.85Å; A208-F212 WeakPolarHBondContact O-CG 3.15Å; A208-F212 PolarHBondContact O-N 3.46Å; S209-F212 PolarHBondContact O-N 2.73Å; R210-F212 VanDerWaalsContact C-N 3.29Å; R210-F212 PolarHBondContact O-N 3.44Å; F212-K214 VanDerWaalsContact C-N 3.33Å; F212-K214 PolarHBondContact O-N 3.37Å; F212-L215 WeakPolarHBondContact O-CB 2.77Å; F212-L215 PolarHBondContact O-N 2.77Å; F212-M216 WeakPolarHBondContact O-CG 3.43Å; F212-M216 PolarHBondContact O-N 3.41Å; F212-I235 HydrophobicContact CD2-CG2 3.58Å; F212-I235 HydrophobicContact CE2-CD1 4.31Å; F212-I235 HydrophobicContact CE2-CG2 3.91Å; F212-M239 HydrophobicContact CB-CE 4.02Å; F212-M239 HydrophobicContact CB-SD 3.78Å
213	A	97.9	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-42.4	170.9	0	0	0	0	0	111.7	S209 R210 L215 M216 E217 M239 Y243	S209-A213 PolarHBondContact O-N 3.28Å; R210-A213 WeakPolarHBondContact O-CB 3.41Å; R210-A213 PolarHBondContact O-N 2.96Å; A213-L215 VanDerWaalsContact C-N 3.32Å; A213-L215 PolarHBondContact O-N 3.32Å; A213-M216 PolarHBondContact O-N 2.84Å; A213-E217 PolarHBondContact O-N 3.39Å; A213-M239 HydrophobicContact CB-CE 4.33Å; A213-Y243 HydrophobicContact CB-CD2 3.56Å; A213-Y243 HydrophobicContact CB-CE2 3.32Å; A213-Y243 HydrophobicContact CB-CG 4.35Å
214	K	98	Very high	97.4	Very high	39 Å²	39	29.8 Å²	29.8	17%	0.17	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-33.6	173.4	-73.2	-179.3	171.1	-173.4	0	113.1	D35 I123 E124 R210 I211 F212 E217 R218	D35-K214 VanDerWaalsContact OD1-CE 3.29Å; D35-K214 WeakPolarHBondContact OD1-CE 3.44Å; D35-K214 IonicContact OD1-NZ 2.79Å; D35-K214 PolarHBondContact OD1-NZ 3.29Å; D35-K214 IonicContact OD2-NZ 3.58Å; D35-K214 PolarHBondContact OD2-NZ 3.47Å; I123-K214 HydrophobicContact CD1-CB 4.33Å; I123-K214 HydrophobicContact CG2-CB 3.86Å; I123-K214 HydrophobicContact CG2-CD 3.87Å; E124-K214 WeakPolarHBondContact OE1-CE 3.45Å; E124-K214 IonicContact OE1-NZ 2.68Å; E124-K214 PolarHBondContact OE1-NZ 2.81Å; R210-K214 HydrophobicContact CG-CD 4.48Å; R210-K214 WeakPolarHBondContact O-CG 3.36Å; R210-K214 PolarHBondContact O-N 3.46Å; I211-K214 WeakPolarHBondContact O-CB 3.19Å; I211-K214 PolarHBondContact O-N 3.18Å; F212-K214 VanDerWaalsContact C-N 3.33Å; F212-K214 PolarHBondContact O-N 3.37Å; K214-E217 PolarHBondContact O-N 3.11Å; K214-R218 WeakPolarHBondContact O-CB 3.25Å; K214-R218 PolarHBondContact O-N 2.88Å
215	L	98.8	Very high	97.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-44	173.3	177.3	63.5	0	0	0	110.9	T121 I123 I128 F130 T185 P187 I211 F212 A213 E217 R218 L219	T121-L215 HydrophobicContact CG2-CD1 3.92Å; I123-L215 HydrophobicContact CD1-CB 3.68Å; I123-L215 HydrophobicContact CD1-CD1 4.16Å; I128-L215 HydrophobicContact CG2-CD2 4.39Å; F130-L215 HydrophobicContact CB-CD2 4.04Å; F130-L215 HydrophobicContact CD1-CD1 3.79Å; F130-L215 HydrophobicContact CD1-CD2 4.21Å; F130-L215 HydrophobicContact CE1-CD1 3.67Å; F130-L215 HydrophobicContact CE2-CD1 4.46Å; F130-L215 HydrophobicContact CG-CD1 4.25Å; F130-L215 HydrophobicContact CG-CD2 4.04Å; F130-L215 HydrophobicContact CZ-CD1 4.01Å; T185-L215 HydrophobicContact CG2-CD2 4.23Å; P187-L215 HydrophobicContact CB-CD2 3.67Å; P187-L215 HydrophobicContact CG-CD2 4.37Å; I211-L215 PolarHBondContact O-N 2.84Å; F212-L215 WeakPolarHBondContact O-CB 2.77Å; F212-L215 PolarHBondContact O-N 2.77Å; A213-L215 VanDerWaalsContact C-N 3.32Å; A213-L215 PolarHBondContact O-N 3.32Å; L215-E217 VanDerWaalsContact C-N 3.35Å; L215-E217 PolarHBondContact O-N 3.11Å; L215-R218 WeakPolarHBondContact O-CB 3.28Å; L215-R218 PolarHBondContact O-N 3Å; L215-R218 VanDerWaalsContact O-N 3.17Å; L215-L219 HydrophobicContact CD1-CD1 4.43Å; L215-L219 HydrophobicContact CG-CD1 4.28Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 3.06Å
216	M	98.7	Very high	97.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-41.5	176.4	-61.9	-53.6	-71.7	0	0	111.4	V147 T185 F212 A213 R218 L219 N220 I221 Y224	V147-M216 HydrophobicContact CB-CE 4.46Å; V147-M216 HydrophobicContact CB-SD 4.14Å; V147-M216 HydrophobicContact CG2-SD 4.28Å; T185-M216 HydrophobicContact CG2-SD 4.21Å; F212-M216 WeakPolarHBondContact O-CG 3.43Å; F212-M216 PolarHBondContact O-N 3.41Å; A213-M216 PolarHBondContact O-N 2.84Å; M216-R218 PolarHBondContact O-N 3.45Å; M216-L219 CarbonylContact O-C 3.57Å; M216-L219 PolarHBondContact O-N 2.82Å; M216-L219 HydrophobicContact SD-CD1 4.46Å; M216-N220 PolarHBondContact O-N 3.12Å; M216-I221 CarbonylContact C-O 3.57Å; M216-I221 HydrophobicContact CE-CB 3.95Å; M216-I221 HydrophobicContact CE-CD1 3.87Å; M216-I221 HydrophobicContact CE-CG2 3.67Å; M216-I221 PolarHBondContact O-N 3.14Å; M216-Y224 HydrophobicContact CB-CD1 3.94Å; M216-Y224 HydrophobicContact CB-CE1 3.53Å; M216-Y224 HydrophobicContact CE-CD1 3.9Å; M216-Y224 HydrophobicContact CE-CD2 4.35Å; M216-Y224 HydrophobicContact CE-CG 3.78Å; M216-Y224 HydrophobicContact CG-CD1 4.07Å; M216-Y224 HydrophobicContact CG-CD2 4.42Å; M216-Y224 HydrophobicContact CG-CE1 3.8Å; M216-Y224 HydrophobicContact CG-CE2 4.18Å; M216-Y224 HydrophobicContact CG-CG 4.38Å
217	E	97.8	Very high	97.9	Very high	89 Å²	89	29.1 Å²	29.1	42%	0.416	14%	0.144	S	C	.	.	H	α-helix	trans	-60.5	-42.2	171.3	-71	-178.9	171.9	0	0	112.5	A213 K214 L215 L219 N220 R246	A213-E217 PolarHBondContact O-N 3.39Å; K214-E217 PolarHBondContact O-N 3.11Å; L215-E217 VanDerWaalsContact C-N 3.35Å; L215-E217 PolarHBondContact O-N 3.11Å; E217-L219 PolarHBondContact O-N 3.4Å; E217-N220 WeakPolarHBondContact O-CA 3.5Å; E217-N220 PolarHBondContact O-N 3.12Å; E217-R246 IonicContact OE1-CZ 3.95Å; E217-R246 IonicContact OE1-NH1 3.47Å; E217-R246 PolarHBondContact OE1-NH1 3.36Å; E217-R246 IonicContact OE1-NH2 3.42Å; E217-R246 PolarHBondContact OE1-NH2 2.84Å
218	R	97.8	Very high	98	Very high	34 Å²	34	29 Å²	29	13%	0.128	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-34	177	-174.6	66.5	65.5	76.8	0	111.7	R48 I50 T121 E122 K214 L215 M216 N220	R48-R218 VanDerWaalsContact CA-NH1 3.29Å; R48-R218 WeakPolarHBondContact O-CD 3.4Å; R48-R218 PolarHBondContact O-NH1 3.42Å; I50-R218 HydrophobicContact CD1-CG 4.21Å; I50-R218 HydrophobicContact CG1-CG 4.19Å; T121-R218 HydrophobicContact CG2-CG 4.31Å; T121-R218 PolarHBondContact OG1-NH1 3.35Å; E122-R218 VanDerWaalsContact O-CZ 3.3Å; E122-R218 PolarHBondContact O-NH1 2.79Å; E122-R218 PolarHBondContact O-NH2 3.09Å; K214-R218 WeakPolarHBondContact O-CB 3.25Å; K214-R218 PolarHBondContact O-N 2.88Å; L215-R218 WeakPolarHBondContact O-CB 3.28Å; L215-R218 PolarHBondContact O-N 3Å; L215-R218 VanDerWaalsContact O-N 3.17Å; M216-R218 PolarHBondContact O-N 3.45Å; R218-N220 PolarHBondContact O-N 3.24Å
219	L	98.5	Very high	97.9	Very high	28 Å²	28	29.7 Å²	29.7	15%	0.147	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	0.7	173.8	-67.5	166.8	0	0	0	113.4	I50 F130 T185 L215 M216 E217 I221	I50-L219 HydrophobicContact CD1-CD2 3.7Å; F130-L219 HydrophobicContact CE2-CD1 4.16Å; F130-L219 HydrophobicContact CE2-CD2 3.94Å; F130-L219 HydrophobicContact CZ-CD2 4.16Å; T185-L219 HydrophobicContact CG2-CD1 3.82Å; L215-L219 HydrophobicContact CD1-CD1 4.43Å; L215-L219 HydrophobicContact CG-CD1 4.28Å; L215-L219 WeakPolarHBondContact O-CG 3.31Å; L215-L219 PolarHBondContact O-N 3.06Å; M216-L219 CarbonylContact O-C 3.57Å; M216-L219 PolarHBondContact O-N 2.82Å; M216-L219 HydrophobicContact SD-CD1 4.46Å; E217-L219 PolarHBondContact O-N 3.4Å; L219-I221 VanDerWaalsContact C-N 3.27Å; L219-I221 HydrophobicContact CB-CD1 3.89Å; L219-I221 HydrophobicContact CB-CG1 4.03Å; L219-I221 HydrophobicContact CD1-CD1 4.46Å; L219-I221 PolarHBondContact O-N 3.29Å
220	N	98.1	Very high	97.8	Very high	152 Å²	152	30.7 Å²	30.7	81%	0.813	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	32.4	-173.1	-55.5	-71.4	0	0	0	113.6	M216 E217 R218	M216-N220 PolarHBondContact O-N 3.12Å; E217-N220 WeakPolarHBondContact O-CA 3.5Å; E217-N220 PolarHBondContact O-N 3.12Å; R218-N220 PolarHBondContact O-N 3.24Å
221	I	98.3	Very high	97.8	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.077	15%	0.154	C	C	.	.			trans	-106.9	100.3	178.3	-57.3	172.6	0	0	0	108.4	P145 M216 L219 Y224	P145-I221 HydrophobicContact CB-CD1 4.36Å; P145-I221 HydrophobicContact CB-CG2 3.4Å; P145-I221 HydrophobicContact CG-CG2 3.64Å; M216-I221 CarbonylContact C-O 3.57Å; M216-I221 HydrophobicContact CE-CB 3.95Å; M216-I221 HydrophobicContact CE-CD1 3.87Å; M216-I221 HydrophobicContact CE-CG2 3.67Å; M216-I221 PolarHBondContact O-N 3.14Å; L219-I221 VanDerWaalsContact C-N 3.27Å; L219-I221 HydrophobicContact CB-CD1 3.89Å; L219-I221 HydrophobicContact CB-CG1 4.03Å; L219-I221 HydrophobicContact CD1-CD1 4.46Å; L219-I221 PolarHBondContact O-N 3.29Å; I221-Y224 HydrophobicContact CG2-CD1 4.04Å
222	S	96.7	Very high	97.8	Very high	87 Å²	87	30.8 Å²	30.8	61%	0.608	15%	0.154	S	C	*	.			trans	-89	-18.8	-176.5	57.9	0	0	0	0	114.3	R246	S222-R246 WeakPolarHBondContact O-CA 3.4Å; S222-R246 WeakPolarHBondContact O-CB 3.37Å
223	R	97.7	Very high	97.7	Very high	151 Å²	151	31.1 Å²	31.1	57%	0.57	16%	0.156	S	C	*	.	S	Bend	trans	-135.1	127.9	178.4	-71.3	-170.1	175.4	-171.2	-0.1	110.4	R246 Q248	R223-R246 VanDerWaalsContact CA-O 3.3Å; R223-R246 WeakPolarHBondContact CA-O 3.35Å; R223-Q248 HydrophobicContact CB-CG 3.94Å; R223-Q248 HydrophobicContact CG-CG 4.42Å
224	Y	98.1	Very high	97.6	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	160.1	-172.9	48.9	-91.8	0	0	0	111.8	P145 V147 M216 I221 C226 M239 R246 V247 Q248	P145-Y224 WeakPolarHBondContact O-CA 3.39Å; V147-Y224 HydrophobicContact CG1-CD2 4.04Å; V147-Y224 HydrophobicContact CG1-CE2 4.31Å; M216-Y224 HydrophobicContact CB-CD1 3.94Å; M216-Y224 HydrophobicContact CB-CE1 3.53Å; M216-Y224 HydrophobicContact CE-CD1 3.9Å; M216-Y224 HydrophobicContact CE-CD2 4.35Å; M216-Y224 HydrophobicContact CE-CG 3.78Å; M216-Y224 HydrophobicContact CG-CD1 4.07Å; M216-Y224 HydrophobicContact CG-CD2 4.42Å; M216-Y224 HydrophobicContact CG-CE1 3.8Å; M216-Y224 HydrophobicContact CG-CE2 4.18Å; M216-Y224 HydrophobicContact CG-CG 4.38Å; I221-Y224 HydrophobicContact CG2-CD1 4.04Å; Y224-C226 VanDerWaalsContact CE2-SG 3.56Å; Y224-M239 HydrophobicContact CE2-CE 3.67Å; Y224-R246 HydrophobicContact CE1-CB 4.06Å; Y224-R246 PolarHBondContact N-O 3.29Å; Y224-V247 HydrophobicContact CE2-CG2 3.84Å; Y224-V247 WeakPolarHBondContact O-CA 3.19Å; Y224-Q248 PolarHBondContact O-N 3.37Å
225	L	98.1	Very high	97.6	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	148.2	166.3	-58.4	173	0	0	0	109.5	P145 L146 V147 F182 Q248 G249 F450 Y451	P145-L225 PolarHBondContact O-N 2.89Å; L146-L225 WeakPolarHBondContact CA-O 3.46Å; L146-L225 HydrophobicContact CD1-CB 3.73Å; V147-L225 PolarHBondContact N-O 3.49Å; F182-L225 HydrophobicContact CD1-CD1 4.44Å; F182-L225 HydrophobicContact CE1-CD1 3.74Å; L225-Q248 HydrophobicContact CD2-CB 4.19Å; L225-G249 WeakPolarHBondContact CA-O 3.21Å; L225-F450 HydrophobicContact CD2-CE1 4.33Å; L225-Y451 HydrophobicContact CD1-CD2 3.68Å; L225-Y451 HydrophobicContact CD1-CG 4.36Å
226	C	98.4	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.5	171.7	-63.6	0	0	0	0	110.4	V147 Y224 A236 V247 G249 L250 H251	V147-C226 HydrophobicContact CG1-CB 3.97Å; V147-C226 WeakPolarHBondContact CG1-SG 3.48Å; Y224-C226 VanDerWaalsContact CE2-SG 3.56Å; C226-A236 HydrophobicContact CB-CB 4.09Å; C226-V247 HydrophobicContact CB-CG1 4.24Å; C226-G249 PolarHBondContact N-O 2.85Å; C226-L250 HydrophobicContact CB-CD1 4Å; C226-H251 PolarHBondContact O-N 3.23Å
227	H	98.7	Very high	97.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.5	165.7	179.7	75.3	0	0	0	110.4	L146 V147 L148 I149 H251 S253	L146-H227 HydrophobicContact CD1-CB 4.16Å; V147-H227 PolarHBondContact O-N 2.71Å; L148-H227 HydrophobicContact CD2-CB 3.49Å; L148-H227 VanDerWaalsContact CD2-CB 3.49Å; I149-H227 PolarHBondContact N-O 3.25Å; H227-H251 WeakPolarHBondContact CA-O 3.39Å; H227-H251 AromaticContact CE1-CE1 3.71Å; H227-H251 AromaticContact CE1-ND1 3.29Å; H227-H251 PolarHBondContact CE1-ND1 3.02Å; H227-H251 VanDerWaalsContact CE1-ND1 3.29Å; H227-H251 AromaticContact ND1-CE1 3.64Å; H227-H251 AromaticContact ND1-CG 3.6Å; H227-H251 AromaticContact ND1-ND1 2.89Å; H227-H251 PolarHBondContact ND1-ND1 2.96Å; H227-H251 PolarHBondContact ND1-O 2.82Å; H227-S253 PolarHBondContact CE1-OG 3.23Å; H227-S253 VanDerWaalsContact CE1-OG 3.25Å; H227-S253 PolarHBondContact NE2-OG 3.45Å
228	G	98.3	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144.9	174.5	0	0	0	0	0	114.5	H251 L252 S253	G228-H251 PolarHBondContact N-O 3.04Å; G228-H251 VanDerWaalsContact N-O 3.12Å; G228-L252 WeakPolarHBondContact O-CA 3.19Å; G228-S253 PolarHBondContact O-N 3.31Å; G228-S253 VanDerWaalsContact O-N 3.12Å
229	S	96.1	Very high	97.4	Very high	15 Å²	15	25.2 Å²	25.2	11%	0.105	13%	0.131	C	C	.	.			trans	-127.9	156.6	167	63.4	0	0	0	0	110	I149 S231 G232 F233 S253	I149-S229 PolarHBondContact O-N 3.03Å; S229-S231 PolarHBondContact O-N 3.42Å; S229-G232 CarbonylContact O-C 3.59Å; S229-G232 WeakPolarHBondContact O-CA 3.37Å; S229-G232 PolarHBondContact O-N 3.14Å; S229-F233 PolarHBondContact O-N 3.12Å; S229-F233 VanDerWaalsContact O-N 3.09Å; S229-S253 WeakPolarHBondContact CB-OG 3.4Å
230	D	95.3	Very high	97.3	Very high	20 Å²	20	24 Å²	24	11%	0.107	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	-134.2	-177.7	-171.3	-105.6	0	0	0	112.8	G151 W152 G232 F233 S254 H433	G151-D230 WeakPolarHBondContact CA-OD1 3.44Å; W152-D230 PolarHBondContact N-OD1 2.89Å; W152-D230 VanDerWaalsContact O-OD1 3.13Å; D230-G232 PolarHBondContact O-N 2.62Å; D230-F233 WeakPolarHBondContact O-CA 3.25Å; D230-F233 VanDerWaalsContact O-CB 3.28Å; D230-F233 WeakPolarHBondContact O-CB 3.4Å; D230-F233 WeakPolarHBondContact O-CD1 3.44Å; D230-F233 VanDerWaalsContact O-CG 3.25Å; D230-F233 WeakPolarHBondContact O-CG 3.29Å; D230-F233 PolarHBondContact O-N 2.98Å; D230-S254 PolarHBondContact N-OG 3.39Å; D230-H433 VanDerWaalsContact CB-NE2 3.31Å; D230-H433 WeakPolarHBondContact CB-NE2 3.48Å; D230-H433 IonicContact OD2-CE1 2.76Å; D230-H433 IonicContact OD2-NE2 3.76Å; D230-H433 PolarHBondContact OD2-NE2 3.25Å
231	S	95.8	Very high	97.1	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-54.5	-30.7	175.3	-55.7	0	0	0	0	111.6	S229 F233 L234 I235	S229-S231 PolarHBondContact O-N 3.42Å; S231-F233 VanDerWaalsContact C-N 3.31Å; S231-F233 PolarHBondContact O-N 2.8Å; S231-L234 WeakPolarHBondContact O-CB 3.46Å; S231-L234 PolarHBondContact O-N 2.75Å; S231-I235 VanDerWaalsContact O-CG1 3.3Å; S231-I235 WeakPolarHBondContact O-CG1 3.15Å; S231-I235 PolarHBondContact O-N 2.83Å
232	G	97.9	Very high	96.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-29.8	171.7	0	0	0	0	0	114.1	I149 H150 S229 D230 L234 I235 A236	I149-G232 VanDerWaalsContact CG2-CA 3.5Å; H150-G232 WeakPolarHBondContact O-CA 3.47Å; H150-G232 PolarHBondContact O-N 3.06Å; H150-G232 VanDerWaalsContact O-N 3.11Å; S229-G232 CarbonylContact O-C 3.59Å; S229-G232 WeakPolarHBondContact O-CA 3.37Å; S229-G232 PolarHBondContact O-N 3.14Å; D230-G232 PolarHBondContact O-N 2.62Å; G232-L234 VanDerWaalsContact C-N 3.34Å; G232-I235 PolarHBondContact O-N 3.13Å; G232-A236 WeakPolarHBondContact O-CB 3.48Å; G232-A236 PolarHBondContact O-N 3.3Å
233	F	97.2	Very high	96.9	Very high	9 Å²	9	16.3 Å²	16.3	4%	0.039	7%	0.073	C	C	.	.	H	α-helix	trans	-63	-43.3	171.3	100.7	-113.2	0	0	0	110.5	S229 D230 S231 T237 L252 S254 L408	S229-F233 PolarHBondContact O-N 3.12Å; S229-F233 VanDerWaalsContact O-N 3.09Å; D230-F233 WeakPolarHBondContact O-CA 3.25Å; D230-F233 VanDerWaalsContact O-CB 3.28Å; D230-F233 WeakPolarHBondContact O-CB 3.4Å; D230-F233 WeakPolarHBondContact O-CD1 3.44Å; D230-F233 VanDerWaalsContact O-CG 3.25Å; D230-F233 WeakPolarHBondContact O-CG 3.29Å; D230-F233 PolarHBondContact O-N 2.98Å; S231-F233 VanDerWaalsContact C-N 3.31Å; S231-F233 PolarHBondContact O-N 2.8Å; F233-T237 WeakPolarHBondContact O-CB 3.2Å; F233-T237 PolarHBondContact O-N 3.15Å; F233-T237 PolarHBondContact O-OG1 3.34Å; F233-L252 HydrophobicContact CB-CD2 4.04Å; F233-S254 WeakPolarHBondContact CB-O 3.47Å; F233-S254 WeakPolarHBondContact CG-O 3.43Å; F233-L408 HydrophobicContact CD1-CD1 4.13Å; F233-L408 HydrophobicContact CE1-CD1 3.75Å
234	L	96.1	Very high	96.7	Very high	32 Å²	32	12.2 Å²	12.2	17%	0.168	7%	0.066	C	C	.	.	H	α-helix	trans	-67.2	-41.9	178.4	-71.7	172.3	0	0	0	111.3	I205 S231 G232 T237 N238 F390	I205-L234 HydrophobicContact CD1-CB 4.09Å; I205-L234 HydrophobicContact CD1-CD1 4.46Å; I205-L234 HydrophobicContact CG1-CB 4.26Å; I205-L234 HydrophobicContact CG1-CD1 4.4Å; I205-L234 HydrophobicContact CG2-CB 3.85Å; S231-L234 WeakPolarHBondContact O-CB 3.46Å; S231-L234 PolarHBondContact O-N 2.75Å; G232-L234 VanDerWaalsContact C-N 3.34Å; L234-T237 PolarHBondContact O-N 2.86Å; L234-N238 WeakPolarHBondContact O-CB 3.18Å; L234-N238 PolarHBondContact O-N 3.14Å; L234-N238 PolarHBondContact O-ND2 3.39Å; L234-F390 HydrophobicContact CD2-CD2 3.69Å; L234-F390 HydrophobicContact CD2-CE2 3.64Å
235	I	97.8	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-49	177.9	-65.2	167.8	0	0	0	110.6	I149 I189 I205 A208 S209 F212 S231 G232 T237 N238 M239	I149-I235 HydrophobicContact CD1-CB 4.45Å; I149-I235 HydrophobicContact CD1-CG2 3.87Å; I149-I235 HydrophobicContact CG2-CB 4.19Å; I149-I235 HydrophobicContact CG2-CD1 4.21Å; I149-I235 HydrophobicContact CG2-CG2 4.18Å; I189-I235 HydrophobicContact CD1-CD1 3.56Å; I189-I235 HydrophobicContact CG1-CD1 3.89Å; I205-I235 HydrophobicContact CD1-CD1 4.19Å; I205-I235 HydrophobicContact CD1-CG1 3.7Å; I205-I235 HydrophobicContact CG2-CG1 3.98Å; A208-I235 HydrophobicContact CB-CD1 3.84Å; A208-I235 HydrophobicContact CB-CG1 4.09Å; A208-I235 HydrophobicContact CB-CG2 4.48Å; S209-I235 VanDerWaalsContact OG-CA 3.26Å; S209-I235 WeakPolarHBondContact OG-CA 3.4Å; S209-I235 WeakPolarHBondContact OG-CG2 3.28Å; S209-I235 PolarHBondContact OG-O 3.39Å; F212-I235 HydrophobicContact CD2-CG2 3.58Å; F212-I235 HydrophobicContact CE2-CD1 4.31Å; F212-I235 HydrophobicContact CE2-CG2 3.91Å; S231-I235 VanDerWaalsContact O-CG1 3.3Å; S231-I235 WeakPolarHBondContact O-CG1 3.15Å; S231-I235 PolarHBondContact O-N 2.83Å; G232-I235 PolarHBondContact O-N 3.13Å; I235-T237 VanDerWaalsContact C-N 3.3Å; I235-T237 PolarHBondContact O-N 2.81Å; I235-N238 PolarHBondContact O-N 3.25Å; I235-M239 HydrophobicContact CG2-SD 4.39Å; I235-M239 WeakPolarHBondContact O-CG 3.36Å; I235-M239 PolarHBondContact O-N 3Å
236	A	98.3	Very high	96.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-40.2	177	0	0	0	0	0	111.7	I149 C226 G232 M239 A240 L250 L252	I149-A236 HydrophobicContact CD1-CB 4.05Å; C226-A236 HydrophobicContact CB-CB 4.09Å; G232-A236 WeakPolarHBondContact O-CB 3.48Å; G232-A236 PolarHBondContact O-N 3.3Å; A236-M239 WeakPolarHBondContact O-CB 3.23Å; A236-M239 PolarHBondContact O-N 3.05Å; A236-A240 PolarHBondContact O-N 3.48Å; A236-L250 HydrophobicContact CB-CD1 3.64Å; A236-L252 HydrophobicContact CB-CD2 4.43Å
237	T	97.1	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.9	-46.2	176.1	-63.5	0	0	0	0	111.8	F233 L234 I235 M239 A240 Q241 V394 Y419	F233-T237 WeakPolarHBondContact O-CB 3.2Å; F233-T237 PolarHBondContact O-N 3.15Å; F233-T237 PolarHBondContact O-OG1 3.34Å; L234-T237 PolarHBondContact O-N 2.86Å; I235-T237 VanDerWaalsContact C-N 3.3Å; I235-T237 PolarHBondContact O-N 2.81Å; T237-M239 VanDerWaalsContact C-N 3.33Å; T237-M239 PolarHBondContact O-N 3.03Å; T237-A240 WeakPolarHBondContact O-CB 3.44Å; T237-A240 PolarHBondContact O-N 2.74Å; T237-A240 VanDerWaalsContact O-N 3.17Å; T237-Q241 WeakPolarHBondContact O-CG 3.45Å; T237-Q241 PolarHBondContact O-N 2.85Å; T237-Q241 PolarHBondContact O-OE1 2.85Å; T237-V394 HydrophobicContact CG2-CG2 3.56Å; T237-Y419 HydrophobicContact CG2-CE1 4Å; T237-Y419 PolarHBondContact OG1-OH 2.89Å
238	N	95.8	Very high	96.4	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-41.1	175.5	-91	-115.9	0	0	0	110.9	I205 S209 L234 I235 A240 Q241 M242 Y389	I205-N238 HydrophobicContact CG2-CB 4.44Å; S209-N238 WeakPolarHBondContact OG-CB 3.45Å; L234-N238 WeakPolarHBondContact O-CB 3.18Å; L234-N238 PolarHBondContact O-N 3.14Å; L234-N238 PolarHBondContact O-ND2 3.39Å; I235-N238 PolarHBondContact O-N 3.25Å; N238-A240 VanDerWaalsContact C-N 3.3Å; N238-A240 PolarHBondContact O-N 3.03Å; N238-Q241 PolarHBondContact O-N 3.1Å; N238-Q241 VanDerWaalsContact O-N 3.13Å; N238-M242 VanDerWaalsContact O-CB 3.31Å; N238-M242 WeakPolarHBondContact O-CB 3.5Å; N238-M242 WeakPolarHBondContact O-CG 3.31Å; N238-M242 PolarHBondContact O-N 3.36Å; N238-Y389 WeakPolarHBondContact OD1-CB 3.5Å; N238-Y389 WeakPolarHBondContact OD1-CD2 3.3Å; N238-Y389 VanDerWaalsContact OD1-CG 3.28Å
239	M	97.1	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.3	-42.4	174	-70.9	176.7	72.4	0	0	111.9	V147 I149 S209 F212 A213 Y224 I235 A236 T237 Q241 Y243 V247	V147-M239 HydrophobicContact CG1-CE 4.39Å; I149-M239 HydrophobicContact CD1-SD 3.64Å; S209-M239 WeakPolarHBondContact O-CG 3.28Å; F212-M239 HydrophobicContact CB-CE 4.02Å; F212-M239 HydrophobicContact CB-SD 3.78Å; A213-M239 HydrophobicContact CB-CE 4.33Å; Y224-M239 HydrophobicContact CE2-CE 3.67Å; I235-M239 HydrophobicContact CG2-SD 4.39Å; I235-M239 WeakPolarHBondContact O-CG 3.36Å; I235-M239 PolarHBondContact O-N 3Å; A236-M239 WeakPolarHBondContact O-CB 3.23Å; A236-M239 PolarHBondContact O-N 3.05Å; T237-M239 VanDerWaalsContact C-N 3.33Å; T237-M239 PolarHBondContact O-N 3.03Å; M239-Q241 VanDerWaalsContact C-N 3.32Å; M239-Q241 PolarHBondContact O-N 2.81Å; M239-Y243 PolarHBondContact O-N 3.47Å; M239-V247 HydrophobicContact CB-CG2 4.28Å
240	A	96.8	Very high	96.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-30.8	176.8	0	0	0	0	0	113.7	A236 T237 N238 V247 L250 V394 V396	A236-A240 PolarHBondContact O-N 3.48Å; T237-A240 WeakPolarHBondContact O-CB 3.44Å; T237-A240 PolarHBondContact O-N 2.74Å; T237-A240 VanDerWaalsContact O-N 3.17Å; N238-A240 VanDerWaalsContact C-N 3.3Å; N238-A240 PolarHBondContact O-N 3.03Å; A240-V247 HydrophobicContact CB-CB 4.37Å; A240-V247 HydrophobicContact CB-CG1 4Å; A240-L250 HydrophobicContact CB-CB 4.44Å; A240-L250 HydrophobicContact CB-CD2 4.07Å; A240-V394 HydrophobicContact CB-CG1 4.14Å; A240-V396 HydrophobicContact CB-CG1 4.38Å; A240-V396 HydrophobicContact CB-CG2 3.59Å
241	Q	94.6	Very high	96.7	Very high	31 Å²	31	24.5 Å²	24.5	15%	0.145	12%	0.123	C	C	.	.	H	α-helix	trans	-80.2	-42.4	177.2	-68.6	173.1	-62.7	0	0	112.2	T237 N238 M239 Y389 S392 A393 V394	T237-Q241 WeakPolarHBondContact O-CG 3.45Å; T237-Q241 PolarHBondContact O-N 2.85Å; T237-Q241 PolarHBondContact O-OE1 2.85Å; N238-Q241 PolarHBondContact O-N 3.1Å; N238-Q241 VanDerWaalsContact O-N 3.13Å; M239-Q241 VanDerWaalsContact C-N 3.32Å; M239-Q241 PolarHBondContact O-N 2.81Å; Q241-Y389 HydrophobicContact CB-CD1 3.93Å; Q241-Y389 HydrophobicContact CB-CE1 4.09Å; Q241-Y389 PolarHBondContact NE2-O 3.25Å; Q241-Y389 PolarHBondContact OE1-O 2.93Å; Q241-S392 PolarHBondContact NE2-O 3.01Å; Q241-A393 PolarHBondContact NE2-O 2.95Å; Q241-V394 HydrophobicContact CG-CB 4.48Å; Q241-V394 HydrophobicContact CG-CG2 3.83Å
242	M	93.8	Very high	96.8	Very high	26 Å²	26	24.2 Å²	24.2	13%	0.128	12%	0.121	C	C	.	.	H	α-helix	trans	-72.1	-38.2	-179.6	-69.8	176.3	157.9	0	0	112.7	V33 T206 N238 P244 Y389	V33-M242 HydrophobicContact CB-CE 4.37Å; V33-M242 HydrophobicContact CG1-CE 3.82Å; V33-M242 HydrophobicContact CG1-SD 4.23Å; V33-M242 HydrophobicContact CG2-CE 3.55Å; V33-M242 HydrophobicContact CG2-CG 3.98Å; V33-M242 HydrophobicContact CG2-SD 4.1Å; T206-M242 HydrophobicContact CG2-CE 3.3Å; N238-M242 VanDerWaalsContact O-CB 3.31Å; N238-M242 WeakPolarHBondContact O-CB 3.5Å; N238-M242 WeakPolarHBondContact O-CG 3.31Å; N238-M242 PolarHBondContact O-N 3.36Å; M242-P244 VanDerWaalsContact C-CD 3.44Å; M242-Y389 HydrophobicContact CE-CD2 4.44Å; M242-Y389 HydrophobicContact CE-CE2 3.59Å; M242-Y389 HydrophobicContact CG-CE1 3.96Å; M242-Y389 HydrophobicContact CG-CE2 4.4Å; M242-Y389 WeakPolarHBondContact CG-OH 3.4Å
243	Y	95.1	Very high	96.8	Very high	37 Å²	37	24.4 Å²	24.4	15%	0.145	12%	0.122	C	C	.	.			trans	-131.2	57.5	-171	-48.6	-72.3	0	0	0	112	A213 M239 D245 R246 V247	A213-Y243 HydrophobicContact CB-CD2 3.56Å; A213-Y243 HydrophobicContact CB-CE2 3.32Å; A213-Y243 HydrophobicContact CB-CG 4.35Å; M239-Y243 PolarHBondContact O-N 3.47Å; Y243-D245 PolarHBondContact O-N 3.38Å; Y243-D245 VanDerWaalsContact O-N 3.14Å; Y243-R246 PolarHBondContact O-N 2.72Å; Y243-V247 PolarHBondContact O-N 2.75Å
244	P	94.8	Very high	96.7	Very high	65 Å²	65	24 Å²	24	42%	0.422	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.4	-176.2	26.3	-35.4	0	0	0	113.2	M242 R246 V396	M242-P244 VanDerWaalsContact C-CD 3.44Å; P244-R246 VanDerWaalsContact C-N 3.26Å; P244-R246 PolarHBondContact O-N 3.21Å; P244-V396 HydrophobicContact CB-CG1 4Å
245	D	95.6	Very high	96.6	Very high	139 Å²	139	22.9 Å²	22.9	74%	0.743	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.7	176.7	-62.6	-33.8	0	0	0	113.7	Y243	Y243-D245 PolarHBondContact O-N 3.38Å; Y243-D245 VanDerWaalsContact O-N 3.14Å
246	R	97.3	Very high	96.3	Very high	70 Å²	70	27 Å²	27	26%	0.264	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-38.4	-178.9	-52.3	-177.4	-165.8	-176.1	-12.6	111.8	E217 S222 R223 Y224 Y243 P244 Q248	E217-R246 IonicContact OE1-CZ 3.95Å; E217-R246 IonicContact OE1-NH1 3.47Å; E217-R246 PolarHBondContact OE1-NH1 3.36Å; E217-R246 IonicContact OE1-NH2 3.42Å; E217-R246 PolarHBondContact OE1-NH2 2.84Å; S222-R246 WeakPolarHBondContact O-CA 3.4Å; S222-R246 WeakPolarHBondContact O-CB 3.37Å; R223-R246 VanDerWaalsContact CA-O 3.3Å; R223-R246 WeakPolarHBondContact CA-O 3.35Å; Y224-R246 HydrophobicContact CE1-CB 4.06Å; Y224-R246 PolarHBondContact N-O 3.29Å; Y243-R246 PolarHBondContact O-N 2.72Å; P244-R246 VanDerWaalsContact C-N 3.26Å; P244-R246 PolarHBondContact O-N 3.21Å; R246-Q248 PolarHBondContact O-N 3.28Å
247	V	97.7	Very high	95.8	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	98.9	178.9	-177.4	0	0	0	0	109.9	Y224 C226 M239 A240 Y243 G249 V396	Y224-V247 HydrophobicContact CE2-CG2 3.84Å; Y224-V247 WeakPolarHBondContact O-CA 3.19Å; C226-V247 HydrophobicContact CB-CG1 4.24Å; M239-V247 HydrophobicContact CB-CG2 4.28Å; A240-V247 HydrophobicContact CB-CB 4.37Å; A240-V247 HydrophobicContact CB-CG1 4Å; Y243-V247 PolarHBondContact O-N 2.75Å; V247-G249 VanDerWaalsContact C-N 3.26Å; V247-G249 PolarHBondContact O-N 2.74Å; V247-V396 HydrophobicContact CG1-CG2 4.45Å; V247-V396 WeakPolarHBondContact O-CG1 3.42Å
248	Q	96.4	Very high	95	Very high	88 Å²	88	28.9 Å²	28.9	41%	0.411	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-23.7	-177.8	-59.6	-169.2	-82.6	0	0	113	R223 Y224 L225 R246	R223-Q248 HydrophobicContact CB-CG 3.94Å; R223-Q248 HydrophobicContact CG-CG 4.42Å; Y224-Q248 PolarHBondContact O-N 3.37Å; L225-Q248 HydrophobicContact CD2-CB 4.19Å; R246-Q248 PolarHBondContact O-N 3.28Å
249	G	97.8	Very high	93.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	144.2	-179.9	0	0	0	0	0	111.5	L225 C226 V247 P397	L225-G249 WeakPolarHBondContact CA-O 3.21Å; C226-G249 PolarHBondContact N-O 2.85Å; V247-G249 VanDerWaalsContact C-N 3.26Å; V247-G249 PolarHBondContact O-N 2.74Å; G249-P397 WeakPolarHBondContact CA-O 3.42Å
250	L	98.5	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.2	179.3	178.8	64	0	0	0	110	C226 A236 A240 L252 V394 V396 P397 T398 A399 Y419	C226-L250 HydrophobicContact CB-CD1 4Å; A236-L250 HydrophobicContact CB-CD1 3.64Å; A240-L250 HydrophobicContact CB-CB 4.44Å; A240-L250 HydrophobicContact CB-CD2 4.07Å; L250-L252 HydrophobicContact CD1-CD2 3.74Å; L250-L252 HydrophobicContact CD1-CG 4.34Å; L250-L252 HydrophobicContact CD2-CD1 4.2Å; L250-L252 HydrophobicContact CD2-CD2 4.34Å; L250-L252 HydrophobicContact CD2-CG 4.31Å; L250-L252 HydrophobicContact CG-CD1 4.43Å; L250-L252 HydrophobicContact CG-CD2 3.96Å; L250-L252 HydrophobicContact CG-CG 4Å; L250-V394 HydrophobicContact CD2-CG1 3.96Å; L250-V396 HydrophobicContact CB-CG2 3.8Å; L250-P397 PolarHBondContact N-O 2.93Å; L250-T398 HydrophobicContact CB-CG2 4.45Å; L250-T398 HydrophobicContact CD2-CG2 4.37Å; L250-T398 HydrophobicContact CG-CG2 4.42Å; L250-T398 CarbonylContact O-C 3.46Å; L250-T398 WeakPolarHBondContact O-CA 3.42Å; L250-A399 PolarHBondContact O-N 2.86Å; L250-Y419 HydrophobicContact CD2-CD1 4.22Å; L250-Y419 HydrophobicContact CD2-CE1 3.97Å
251	H	98.6	Very high	91.6	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.8	171.6	-176.4	-62.5	0	0	0	110.1	C226 H227 G228 A399 D446 F450	C226-H251 PolarHBondContact O-N 3.23Å; H227-H251 WeakPolarHBondContact CA-O 3.39Å; H227-H251 AromaticContact CE1-CE1 3.71Å; H227-H251 AromaticContact CE1-ND1 3.29Å; H227-H251 PolarHBondContact CE1-ND1 3.02Å; H227-H251 VanDerWaalsContact CE1-ND1 3.29Å; H227-H251 AromaticContact ND1-CE1 3.64Å; H227-H251 AromaticContact ND1-CG 3.6Å; H227-H251 AromaticContact ND1-ND1 2.89Å; H227-H251 PolarHBondContact ND1-ND1 2.96Å; H227-H251 PolarHBondContact ND1-O 2.82Å; G228-H251 PolarHBondContact N-O 3.04Å; G228-H251 VanDerWaalsContact N-O 3.12Å; H251-A399 CarbonylContact C-O 3.53Å; H251-A399 WeakPolarHBondContact CA-O 3.41Å; H251-D446 IonicContact CE1-OD2 2.99Å; H251-D446 IonicContact NE2-OD2 3.43Å; H251-D446 PolarHBondContact NE2-OD2 3.17Å; H251-D446 VanDerWaalsContact NE2-OD2 3.14Å; H251-F450 HydrophobicContact CB-CD1 3.84Å; H251-F450 HydrophobicContact CB-CE1 4.06Å
252	L	98.6	Very high	90.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133	179.8	-61.6	-177.9	0	0	0	110.8	G228 F233 A236 L250 S254 A255 A399 I400 A401 Y419	G228-L252 WeakPolarHBondContact O-CA 3.19Å; F233-L252 HydrophobicContact CB-CD2 4.04Å; A236-L252 HydrophobicContact CB-CD2 4.43Å; L250-L252 HydrophobicContact CD1-CD2 3.74Å; L250-L252 HydrophobicContact CD1-CG 4.34Å; L250-L252 HydrophobicContact CD2-CD1 4.2Å; L250-L252 HydrophobicContact CD2-CD2 4.34Å; L250-L252 HydrophobicContact CD2-CG 4.31Å; L250-L252 HydrophobicContact CG-CD1 4.43Å; L250-L252 HydrophobicContact CG-CD2 3.96Å; L250-L252 HydrophobicContact CG-CG 4Å; L252-S254 WeakPolarHBondContact CB-O 3.27Å; L252-A255 HydrophobicContact CB-CB 4.3Å; L252-A255 HydrophobicContact CD1-CB 4.08Å; L252-A399 PolarHBondContact N-O 3.43Å; L252-I400 CarbonylContact O-C 3.49Å; L252-I400 WeakPolarHBondContact O-CA 3.38Å; L252-A401 PolarHBondContact O-N 3.17Å; L252-Y419 HydrophobicContact CD1-CD1 4.33Å; L252-Y419 HydrophobicContact CD1-CE1 3.53Å; L252-Y419 HydrophobicContact CD1-CE2 4.33Å
253	S	97.5	Very high	89	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.028	18%	0.175	C	C	.	.	S	Bend	trans	-102.7	-10.7	168	45.3	0	0	0	0	113.1	H227 G228 S229	H227-S253 PolarHBondContact CE1-OG 3.23Å; H227-S253 VanDerWaalsContact CE1-OG 3.25Å; H227-S253 PolarHBondContact NE2-OG 3.45Å; G228-S253 PolarHBondContact O-N 3.31Å; G228-S253 VanDerWaalsContact O-N 3.12Å; S229-S253 WeakPolarHBondContact CB-OG 3.4Å
254	S	94.7	Very high	87.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.007	20%	0.2	C	C	.	.	S	Bend	trans	-125	134.3	160.5	-57.8	0	0	0	0	108.2	D230 F233 L252 D406	D230-S254 PolarHBondContact N-OG 3.39Å; F233-S254 WeakPolarHBondContact CB-O 3.47Å; F233-S254 WeakPolarHBondContact CG-O 3.43Å; L252-S254 WeakPolarHBondContact CB-O 3.27Å; S254-D406 WeakPolarHBondContact CA-OD2 3.46Å; S254-D406 WeakPolarHBondContact CB-OD2 3.49Å; S254-D406 PolarHBondContact OG-OD2 3.44Å
255	A	94.2	Very high	86.5	Confident	8 Å²	8	35.7 Å²	35.7	7%	0.066	19%	0.185	C	C	.	.			trans	-146.6	124.8	178.8	0	0	0	0	0	110.8	L252 I400 L408 C410 L415	L252-A255 HydrophobicContact CB-CB 4.3Å; L252-A255 HydrophobicContact CD1-CB 4.08Å; A255-I400 HydrophobicContact CB-CD1 4.13Å; A255-I400 HydrophobicContact CB-CG2 3.77Å; A255-L408 VanDerWaalsContact O-O 3.09Å; A255-C410 WeakPolarHBondContact O-CB 3.19Å; A255-L415 HydrophobicContact CB-CD1 4.22Å; A255-L415 HydrophobicContact CB-CD2 3.87Å
256	Y	91.3	Very high	85.3	Confident	86 Å²	86	31.9 Å²	31.9	34%	0.337	16%	0.16	S	C	.	.			trans	-130.6	149.7	177.8	-174.4	-101.4	0	0	0	110.8	D258 F390 C410	Y256-D258 HydrophobicContact CE1-CB 3.86Å; Y256-F390 HydrophobicContact CD1-CE1 4.42Å; Y256-F390 AromaticContact CD1-CZ 3.79Å; Y256-F390 HydrophobicContact CD1-CZ 3.79Å; Y256-F390 HydrophobicContact CE1-CE1 4.41Å; Y256-F390 HydrophobicContact CE1-CZ 4.04Å; Y256-C410 HydrophobicContact CD2-CB 4.48Å
257	A	87.9	Confident	84.2	Confident	2 Å²	2	33.3 Å²	33.3	2%	0.017	17%	0.172	C	C	.	.			trans	-141.9	122.2	171.6	0	0	0	0	0	107	A259 L415 K418	A257-A259 PolarHBondContact O-N 3.15Å; A257-L415 HydrophobicContact CB-CD2 4.26Å; A257-K418 HydrophobicContact CB-CB 3.91Å; A257-K418 HydrophobicContact CB-CD 4.32Å
258	D	80.5	Confident	83	Confident	37 Å²	37	35.4 Å²	35.4	20%	0.198	19%	0.189	C	C	.	.			trans	-79.8	115.8	178.5	-175.6	-7.7	0	0	0	109.7	Y256 L260 L261 H262 F390	Y256-D258 HydrophobicContact CE1-CB 3.86Å; D258-L260 PolarHBondContact O-N 3.25Å; D258-L260 VanDerWaalsContact OD1-CB 3.25Å; D258-L260 WeakPolarHBondContact OD1-CB 3.37Å; D258-L260 WeakPolarHBondContact OD1-CG 3.25Å; D258-L260 PolarHBondContact OD1-N 2.9Å; D258-L261 HydrophobicContact CB-CB 4.36Å; D258-L261 HydrophobicContact CB-CD1 4.15Å; D258-L261 HydrophobicContact CB-CG 4.18Å; D258-L261 PolarHBondContact O-N 3.46Å; D258-H262 PolarHBondContact O-CD2 3.22Å; D258-H262 VanDerWaalsContact O-CD2 3.31Å; D258-F390 HydrophobicContact CB-CD1 4.44Å; D258-F390 HydrophobicContact CB-CE1 3.6Å; D258-F390 HydrophobicContact CB-CZ 4.48Å
259	A	72.9	Confident	81.9	Confident	5 Å²	5	36.3 Å²	36.3	4%	0.041	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.5	177.7	0	0	0	0	0	112.4	A257 L261 H262 Q265 W266 Y269	A257-A259 PolarHBondContact O-N 3.15Å; A259-L261 PolarHBondContact O-N 3.43Å; A259-H262 PolarHBondContact O-N 2.66Å; A259-Q265 HydrophobicContact CB-CB 4.07Å; A259-W266 VanDerWaalsContact O-CA 3.3Å; A259-W266 WeakPolarHBondContact O-CA 3.32Å; A259-W266 VanDerWaalsContact O-CB 3.32Å; A259-W266 WeakPolarHBondContact O-CB 3.41Å; A259-W266 PolarHBondContact O-N 2.84Å; A259-Y269 HydrophobicContact CB-CD2 3.97Å; A259-Y269 HydrophobicContact CB-CG 3.81Å
260	L	71.6	Confident	80.8	Confident	89 Å²	89	40.6 Å²	40.6	47%	0.466	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-70.3	-20.5	178.1	-59.9	-179.8	0	0	0	113.1	L23 D258 W266	L23-L260 WeakPolarHBondContact CD2-O 3.43Å; D258-L260 PolarHBondContact O-N 3.25Å; D258-L260 VanDerWaalsContact OD1-CB 3.25Å; D258-L260 WeakPolarHBondContact OD1-CB 3.37Å; D258-L260 WeakPolarHBondContact OD1-CG 3.25Å; D258-L260 PolarHBondContact OD1-N 2.9Å; L260-W266 HydrophobicContact CD2-CB 4.32Å
261	L	74.2	Confident	79.8	Confident	21 Å²	21	46.8 Å²	46.8	11%	0.11	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-95.1	-0.2	178.8	-61.9	179.5	0	0	0	113.2	L23 D258 A259 F387 F390	L23-L261 VanDerWaalsContact CD2-CA 3.5Å; L23-L261 WeakPolarHBondContact CD2-O 3.15Å; D258-L261 HydrophobicContact CB-CB 4.36Å; D258-L261 HydrophobicContact CB-CD1 4.15Å; D258-L261 HydrophobicContact CB-CG 4.18Å; D258-L261 PolarHBondContact O-N 3.46Å; A259-L261 PolarHBondContact O-N 3.43Å; L261-F387 HydrophobicContact CD1-CD2 4.41Å; L261-F387 HydrophobicContact CD1-CE2 4.11Å; L261-F387 HydrophobicContact CD2-CD2 4.32Å; L261-F387 HydrophobicContact CD2-CE1 4.24Å; L261-F387 HydrophobicContact CD2-CE2 3.32Å; L261-F387 HydrophobicContact CD2-CZ 3.26Å; L261-F387 HydrophobicContact CG-CE2 4.38Å; L261-F390 HydrophobicContact CD1-CD1 3.39Å; L261-F390 HydrophobicContact CD1-CE1 3.91Å; L261-F390 HydrophobicContact CD1-CG 4.38Å
262	H	69.5	Low	78.7	Confident	15 Å²	15	50.6 Å²	50.6	7%	0.069	26%	0.26	C	S	.	.	S	Bend	trans	-117.5	112.8	176.6	-69.6	-66.1	0	0	0	110.9	D258 A259 T264 Q265 W266 G391	D258-H262 PolarHBondContact O-CD2 3.22Å; D258-H262 VanDerWaalsContact O-CD2 3.31Å; A259-H262 PolarHBondContact O-N 2.66Å; H262-T264 PolarHBondContact O-N 3.24Å; H262-Q265 HydrophobicContact CB-CB 4.09Å; H262-Q265 HydrophobicContact CB-CG 4.11Å; H262-Q265 PolarHBondContact O-N 3.19Å; H262-W266 PolarHBondContact O-N 2.85Å; H262-G391 PolarHBondContact CE1-O 2.85Å
263	P	63.8	Low	77.6	Confident	51 Å²	51	52.8 Å²	52.8	33%	0.331	27%	0.273	S	S	.	.	H	α-helix	trans	-52.4	-34.9	-174.4	-23.4	26	0	0	0	114.7	L23 Q265 W266	L23-P263 HydrophobicContact CB-CG 4.2Å; P263-Q265 VanDerWaalsContact C-N 3.35Å; P263-W266 VanDerWaalsContact C-CD1 3.47Å; P263-W266 VanDerWaalsContact CA-CD1 3.48Å; P263-W266 PolarHBondContact O-NE1 3.01Å
264	T	67.2	Low	76.5	Confident	110 Å²	110	55.7 Å²	55.7	68%	0.675	29%	0.291	S	S	*	.	H	α-helix	trans	-79	-20.2	-179	53.6	0	0	0	0	112.9	H262	H262-T264 PolarHBondContact O-N 3.24Å
265	Q	70.1	Confident	75.7	Confident	20 Å²	20	62.2 Å²	62.2	9%	0.093	32%	0.315	C	S	.	.	H	α-helix	trans	-102.9	-33.9	-173.4	-62	-134.5	-30.4	0	0	113.2	A259 H262 P263 I267 A268 Y269 S413 H414 C417	A259-Q265 HydrophobicContact CB-CB 4.07Å; H262-Q265 HydrophobicContact CB-CB 4.09Å; H262-Q265 HydrophobicContact CB-CG 4.11Å; H262-Q265 PolarHBondContact O-N 3.19Å; P263-Q265 VanDerWaalsContact C-N 3.35Å; Q265-I267 VanDerWaalsContact C-N 3.26Å; Q265-I267 PolarHBondContact O-N 3.42Å; Q265-A268 CarbonylContact O-C 3.37Å; Q265-A268 PolarHBondContact O-N 3.39Å; Q265-A268 VanDerWaalsContact O-N 3.1Å; Q265-Y269 VanDerWaalsContact O-CB 3.28Å; Q265-Y269 WeakPolarHBondContact O-CB 3.04Å; Q265-Y269 PolarHBondContact O-N 3.34Å; Q265-S413 PolarHBondContact NE2-O 3.47Å; Q265-H414 VanDerWaalsContact OE1-CA 3.23Å; Q265-H414 PolarHBondContact OE1-CD2 3.1Å; Q265-C417 HydrophobicContact CG-CB 4.24Å; Q265-C417 VanDerWaalsContact CG-SG 3.58Å; Q265-C417 PolarHBondContact NE2-SG 3.03Å
266	W	71.5	Confident	74.7	Confident	58 Å²	58	62.6 Å²	62.6	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-36.9	-175.9	77	-84.7	0	0	0	112.2	I16 A259 L260 H262 P263 L270	I16-W266 HydrophobicContact CG2-CH2 4.22Å; A259-W266 VanDerWaalsContact O-CA 3.3Å; A259-W266 WeakPolarHBondContact O-CA 3.32Å; A259-W266 VanDerWaalsContact O-CB 3.32Å; A259-W266 WeakPolarHBondContact O-CB 3.41Å; A259-W266 PolarHBondContact O-N 2.84Å; L260-W266 HydrophobicContact CD2-CB 4.32Å; H262-W266 PolarHBondContact O-N 2.85Å; P263-W266 VanDerWaalsContact C-CD1 3.47Å; P263-W266 VanDerWaalsContact CA-CD1 3.48Å; P263-W266 PolarHBondContact O-NE1 3.01Å; W266-L270 HydrophobicContact CE3-CD2 4.42Å; W266-L270 HydrophobicContact CZ3-CD2 4.12Å; W266-L270 WeakPolarHBondContact O-CB 3.4Å; W266-L270 PolarHBondContact O-N 3.15Å
267	I	73.3	Confident	73.7	Confident	100 Å²	100	59.6 Å²	59.6	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-48.8	175.6	-59.2	179.3	0	0	0	110	Q265 L270 F271	Q265-I267 VanDerWaalsContact C-N 3.26Å; Q265-I267 PolarHBondContact O-N 3.42Å; I267-L270 PolarHBondContact O-N 2.87Å; I267-F271 WeakPolarHBondContact O-CB 3.41Å; I267-F271 PolarHBondContact O-N 2.85Å
268	A	73.1	Confident	72.9	Confident	46 Å²	46	66 Å²	66	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-42	179.9	0	0	0	0	0	111.4	Q265 N272	Q265-A268 CarbonylContact O-C 3.37Å; Q265-A268 PolarHBondContact O-N 3.39Å; Q265-A268 VanDerWaalsContact O-N 3.1Å; A268-N272 WeakPolarHBondContact O-CB 3.34Å; A268-N272 PolarHBondContact O-N 2.91Å; A268-N272 PolarHBondContact O-ND2 3.24Å
269	Y	73.2	Confident	72.3	Confident	107 Å²	107	70.1 Å²	70.1	42%	0.42	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-50.8	176.7	-179.7	-93.9	0	0	0	111.1	A259 Q265 F271 N272 T273	A259-Y269 HydrophobicContact CB-CD2 3.97Å; A259-Y269 HydrophobicContact CB-CG 3.81Å; Q265-Y269 VanDerWaalsContact O-CB 3.28Å; Q265-Y269 WeakPolarHBondContact O-CB 3.04Å; Q265-Y269 PolarHBondContact O-N 3.34Å; Y269-F271 PolarHBondContact O-N 2.95Å; Y269-N272 PolarHBondContact O-N 3.06Å; Y269-T273 VanDerWaalsContact O-CB 3.26Å; Y269-T273 WeakPolarHBondContact O-CB 3.5Å; Y269-T273 PolarHBondContact O-N 3.14Å; Y269-T273 PolarHBondContact O-OG1 2.94Å
270	L	75	Confident	72.1	Confident	90 Å²	90	71.5 Å²	71.5	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-59.6	-47.6	177.6	-178.3	63.8	0	0	0	110.6	W266 I267 T273 V274	W266-L270 HydrophobicContact CE3-CD2 4.42Å; W266-L270 HydrophobicContact CZ3-CD2 4.12Å; W266-L270 WeakPolarHBondContact O-CB 3.4Å; W266-L270 PolarHBondContact O-N 3.15Å; I267-L270 PolarHBondContact O-N 2.87Å; L270-T273 PolarHBondContact O-N 3.13Å; L270-V274 HydrophobicContact CD1-CG2 3.98Å; L270-V274 HydrophobicContact CG-CG2 4.38Å; L270-V274 VanDerWaalsContact O-CB 3.27Å; L270-V274 WeakPolarHBondContact O-CB 3.26Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 3.1Å
271	F	77.5	Confident	71.8	Confident	131 Å²	131	74.1 Å²	74.1	58%	0.575	40%	0.395	S	S	*	.	H	α-helix	trans	-59.6	-48.7	177.5	-178.8	-96.6	0	0	0	111.7	I267 Y269 R275	I267-F271 WeakPolarHBondContact O-CB 3.41Å; I267-F271 PolarHBondContact O-N 2.85Å; Y269-F271 PolarHBondContact O-N 2.95Å; F271-R275 WeakPolarHBondContact O-CB 3.21Å; F271-R275 PolarHBondContact O-N 3.09Å
272	N	75.7	Confident	71.5	Confident	82 Å²	82	79.4 Å²	79.4	44%	0.439	42%	0.419	S	S	.	.	H	α-helix	trans	-65.9	-41.8	-179.1	-76.1	-35.1	0	0	0	112.3	A268 Y269 R275 A276	A268-N272 WeakPolarHBondContact O-CB 3.34Å; A268-N272 PolarHBondContact O-N 2.91Å; A268-N272 PolarHBondContact O-ND2 3.24Å; Y269-N272 PolarHBondContact O-N 3.06Å; N272-R275 PolarHBondContact O-N 2.68Å; N272-A276 WeakPolarHBondContact O-CB 3.45Å; N272-A276 PolarHBondContact O-N 3.24Å
273	T	74	Confident	71.4	Confident	46 Å²	46	85.4 Å²	85.4	28%	0.282	45%	0.447	S	S	.	.	H	α-helix	trans	-65.6	-47.3	177.8	-61.3	0	0	0	0	110.9	Y269 L270 A276 A277 V289	Y269-T273 VanDerWaalsContact O-CB 3.26Å; Y269-T273 WeakPolarHBondContact O-CB 3.5Å; Y269-T273 PolarHBondContact O-N 3.14Å; Y269-T273 PolarHBondContact O-OG1 2.94Å; L270-T273 PolarHBondContact O-N 3.13Å; T273-A276 PolarHBondContact O-N 3.41Å; T273-A277 WeakPolarHBondContact O-CB 3.38Å; T273-A277 PolarHBondContact O-N 3.36Å; T273-V289 HydrophobicContact CG2-CG1 4.36Å
274	V	76	Confident	71.8	Confident	65 Å²	65	89.3 Å²	89.3	39%	0.394	47%	0.465	S	S	.	.	H	α-helix	trans	-63.1	-44.6	176.8	171.1	0	0	0	0	110.8	L270 A277 L278	L270-V274 HydrophobicContact CD1-CG2 3.98Å; L270-V274 HydrophobicContact CG-CG2 4.38Å; L270-V274 VanDerWaalsContact O-CB 3.27Å; L270-V274 WeakPolarHBondContact O-CB 3.26Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 3.1Å; V274-A277 PolarHBondContact O-N 3.17Å; V274-L278 HydrophobicContact CG1-CD1 4.07Å; V274-L278 WeakPolarHBondContact O-CB 3.11Å; V274-L278 PolarHBondContact O-N 3.47Å
275	R	76.9	Confident	71.9	Confident	137 Å²	137	86.6 Å²	86.6	52%	0.517	45%	0.449	S	S	.	.	I	π-helix	trans	-60.8	-47.7	177	-171.9	-176.7	80.1	122.7	3.4	111.3	F271 N272 L279 S280	F271-R275 WeakPolarHBondContact O-CB 3.21Å; F271-R275 PolarHBondContact O-N 3.09Å; N272-R275 PolarHBondContact O-N 2.68Å; R275-L279 HydrophobicContact CG-CB 4.23Å; R275-L279 HydrophobicContact CG-CD1 4.34Å; R275-L279 CarbonylContact O-C 3.47Å; R275-L279 VanDerWaalsContact O-CA 3.28Å; R275-L279 WeakPolarHBondContact O-CA 3.46Å; R275-L279 VanDerWaalsContact O-CB 3.31Å; R275-L279 WeakPolarHBondContact O-CB 3.34Å; R275-L279 PolarHBondContact O-N 3.27Å; R275-S280 PolarHBondContact O-N 2.65Å
276	A	73.7	Confident	71.6	Confident	16 Å²	16	91.1 Å²	91.1	13%	0.132	47%	0.465	C	S	.	.	I	π-helix	trans	-67.7	-38.5	-179.4	0	0	0	0	0	112.5	N272 T273 S280 T285 V289	N272-A276 WeakPolarHBondContact O-CB 3.45Å; N272-A276 PolarHBondContact O-N 3.24Å; T273-A276 PolarHBondContact O-N 3.41Å; A276-S280 VanDerWaalsContact O-CB 3.22Å; A276-S280 WeakPolarHBondContact O-CB 3.46Å; A276-T285 HydrophobicContact CB-CG2 4.31Å; A276-V289 HydrophobicContact CB-CG2 3.73Å
277	A	71	Confident	71.7	Confident	23 Å²	23	91.2 Å²	91.2	19%	0.19	48%	0.475	C	S	.	.	I	π-helix	trans	-76.9	-38.6	-178.3	0	0	0	0	0	113.6	T273 V274 R286	T273-A277 WeakPolarHBondContact O-CB 3.38Å; T273-A277 PolarHBondContact O-N 3.36Å; V274-A277 PolarHBondContact O-N 3.17Å; A277-R286 WeakPolarHBondContact O-CD 3.39Å; A277-R286 WeakPolarHBondContact O-CG 3.28Å
278	L	71.2	Confident	71.8	Confident	137 Å²	137	88.8 Å²	88.8	72%	0.717	47%	0.469	S	S	*	.	I	π-helix	trans	-109.2	-27.4	-171.7	-61.7	-179.1	0	0	0	114.3	V274	V274-L278 HydrophobicContact CG1-CD1 4.07Å; V274-L278 WeakPolarHBondContact O-CB 3.11Å; V274-L278 PolarHBondContact O-N 3.47Å
279	L	67.4	Low	71.8	Confident	124 Å²	124	88.6 Å²	88.6	65%	0.649	46%	0.463	S	S	*	.	I	π-helix	trans	-115.3	-8	-169.9	-55.5	175.8	0	0	0	113.7	R275 T281	R275-L279 HydrophobicContact CG-CB 4.23Å; R275-L279 HydrophobicContact CG-CD1 4.34Å; R275-L279 CarbonylContact O-C 3.47Å; R275-L279 VanDerWaalsContact O-CA 3.28Å; R275-L279 WeakPolarHBondContact O-CA 3.46Å; R275-L279 VanDerWaalsContact O-CB 3.31Å; R275-L279 WeakPolarHBondContact O-CB 3.34Å; R275-L279 PolarHBondContact O-N 3.27Å; L279-T281 PolarHBondContact O-N 3.11Å
280	S	68.8	Low	71.9	Confident	33 Å²	33	88.1 Å²	88.1	23%	0.231	47%	0.468	C	S	.	.			trans	-70	121.1	175.1	-173.7	0	0	0	0	110.4	R275 A276 E282 T285	R275-S280 PolarHBondContact O-N 2.65Å; A276-S280 VanDerWaalsContact O-CB 3.22Å; A276-S280 WeakPolarHBondContact O-CB 3.46Å; S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact OG-N 2.7Å; S280-E282 PolarHBondContact OG-O 3Å; S280-E282 VanDerWaalsContact OG-O 3.09Å; S280-T285 WeakPolarHBondContact OG-CB 3.22Å
281	T	64.1	Low	72.1	Confident	145 Å²	145	86.7 Å²	86.7	89%	0.89	47%	0.465	S	S	*	.			trans	-78.2	-17.6	169.3	52.7	0	0	0	0	112.2	L279 E283	L279-T281 PolarHBondContact O-N 3.11Å; T281-E283 PolarHBondContact O-N 3.1Å
282	E	67.9	Low	72.1	Confident	131 Å²	131	84.1 Å²	84.1	61%	0.612	46%	0.463	S	S	*	.			trans	-80.4	109.4	172.5	-70	-176.5	-172.6	0	0	109.4	S280 N284 T285 R286	S280-E282 VanDerWaalsContact C-N 3.29Å; S280-E282 PolarHBondContact OG-N 2.7Å; S280-E282 PolarHBondContact OG-O 3Å; S280-E282 VanDerWaalsContact OG-O 3.09Å; E282-N284 PolarHBondContact O-N 3Å; E282-T285 PolarHBondContact O-N 3.46Å; E282-T285 VanDerWaalsContact O-N 3.14Å; E282-T285 PolarHBondContact OE2-OG1 3.23Å; E282-R286 PolarHBondContact O-N 2.91Å
283	E	68.2	Low	72.2	Confident	141 Å²	141	87.6 Å²	87.6	66%	0.659	47%	0.471	S	S	*	.	H	α-helix	trans	-55.9	-36.2	179.9	-174.4	166.8	-161.7	0	0	112.1	T281 T285 R286 S287	T281-E283 PolarHBondContact O-N 3.1Å; E283-T285 PolarHBondContact O-N 3.06Å; E283-R286 PolarHBondContact O-N 3.04Å; E283-S287 WeakPolarHBondContact O-CB 3.34Å; E283-S287 PolarHBondContact O-N 3.12Å; E283-S287 PolarHBondContact O-OG 2.97Å
284	N	71.6	Confident	72.6	Confident	133 Å²	133	93.3 Å²	93.3	71%	0.711	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-39.6	177.8	-69.9	-18.4	0	0	0	113.2	E282 S287 A288	E282-N284 PolarHBondContact O-N 3Å; N284-S287 PolarHBondContact O-OG 3Å; N284-A288 VanDerWaalsContact O-CB 3.28Å; N284-A288 WeakPolarHBondContact O-CB 3.47Å; N284-A288 PolarHBondContact O-N 2.85Å
285	T	69.7	Low	73.1	Confident	53 Å²	53	92.1 Å²	92.1	33%	0.325	48%	0.481	S	S	.	.	H	α-helix	trans	-70.1	-42.4	179.3	-43.6	0	0	0	0	110.8	A276 S280 E282 E283 A288 V289	A276-T285 HydrophobicContact CB-CG2 4.31Å; S280-T285 WeakPolarHBondContact OG-CB 3.22Å; E282-T285 PolarHBondContact O-N 3.46Å; E282-T285 VanDerWaalsContact O-N 3.14Å; E282-T285 PolarHBondContact OE2-OG1 3.23Å; E283-T285 PolarHBondContact O-N 3.06Å; T285-A288 PolarHBondContact O-N 3.14Å; T285-V289 PolarHBondContact O-N 3.5Å; T285-V289 VanDerWaalsContact O-N 3.15Å
286	R	64.5	Low	73.4	Confident	115 Å²	115	88.3 Å²	88.3	43%	0.434	48%	0.478	S	S	.	.	H	α-helix	trans	-64.9	-44.6	178.2	-174.7	177.2	66.6	159.1	0.4	111	A277 E282 E283 A288 V289 L290	A277-R286 WeakPolarHBondContact O-CD 3.39Å; A277-R286 WeakPolarHBondContact O-CG 3.28Å; E282-R286 PolarHBondContact O-N 2.91Å; E283-R286 PolarHBondContact O-N 3.04Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 2.98Å; R286-V289 PolarHBondContact O-N 3.24Å; R286-L290 HydrophobicContact CG-CD1 4.05Å; R286-L290 WeakPolarHBondContact O-CG 3.49Å; R286-L290 PolarHBondContact O-N 2.99Å; R286-L290 VanDerWaalsContact O-N 3.11Å
287	S	72.7	Confident	74	Confident	61 Å²	61	92.1 Å²	92.1	43%	0.427	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-39.4	178.5	73.2	0	0	0	0	111.7	E283 N284 L290 S291	E283-S287 WeakPolarHBondContact O-CB 3.34Å; E283-S287 PolarHBondContact O-N 3.12Å; E283-S287 PolarHBondContact O-OG 2.97Å; N284-S287 PolarHBondContact O-OG 3Å; S287-L290 PolarHBondContact O-N 3.32Å; S287-S291 VanDerWaalsContact O-CB 3.25Å; S287-S291 WeakPolarHBondContact O-CB 3.17Å; S287-S291 PolarHBondContact O-N 2.93Å; S287-S291 PolarHBondContact O-OG 3.13Å; S287-S291 VanDerWaalsContact O-OG 3.13Å
288	A	75.4	Confident	74.8	Confident	48 Å²	48	95.4 Å²	95.4	40%	0.397	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-40.6	177.4	0	0	0	0	0	113.4	N284 T285 R286 S291 S292	N284-A288 VanDerWaalsContact O-CB 3.28Å; N284-A288 WeakPolarHBondContact O-CB 3.47Å; N284-A288 PolarHBondContact O-N 2.85Å; T285-A288 PolarHBondContact O-N 3.14Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 2.98Å; A288-S291 WeakPolarHBondContact CA-OG 3.36Å; A288-S291 PolarHBondContact O-OG 3.23Å; A288-S292 WeakPolarHBondContact O-CB 3.23Å; A288-S292 PolarHBondContact O-N 2.95Å; A288-S292 PolarHBondContact O-OG 3.41Å
289	V	73.3	Confident	75.8	Confident	43 Å²	43	90.4 Å²	90.4	26%	0.261	48%	0.48	S	S	.	.	H	α-helix	trans	-68.1	-45.8	177	171.8	0	0	0	0	111	T273 A276 T285 R286 S291 S292 Y293	T273-V289 HydrophobicContact CG2-CG1 4.36Å; A276-V289 HydrophobicContact CB-CG2 3.73Å; T285-V289 PolarHBondContact O-N 3.5Å; T285-V289 VanDerWaalsContact O-N 3.15Å; R286-V289 PolarHBondContact O-N 3.24Å; V289-S291 PolarHBondContact O-N 3.37Å; V289-S292 PolarHBondContact O-N 2.98Å; V289-Y293 PolarHBondContact O-N 3.32Å; V289-Y293 VanDerWaalsContact O-N 3.11Å
290	L	76.4	Confident	77	Confident	97 Å²	97	86 Å²	86	51%	0.508	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-39.4	178.1	-69.5	172.8	0	0	0	112	R286 S287 Y293 R294	R286-L290 HydrophobicContact CG-CD1 4.05Å; R286-L290 WeakPolarHBondContact O-CG 3.49Å; R286-L290 PolarHBondContact O-N 2.99Å; R286-L290 VanDerWaalsContact O-N 3.11Å; S287-L290 PolarHBondContact O-N 3.32Å; L290-Y293 PolarHBondContact O-N 3.25Å; L290-R294 WeakPolarHBondContact O-CB 3.36Å; L290-R294 PolarHBondContact O-N 3.05Å
291	S	79.2	Confident	78.1	Confident	59 Å²	59	87.4 Å²	87.4	41%	0.413	47%	0.474	S	S	.	.	H	α-helix	trans	-66.7	-38.7	176.8	68.9	0	0	0	0	111.7	S287 A288 V289 R294 T295	S287-S291 VanDerWaalsContact O-CB 3.25Å; S287-S291 WeakPolarHBondContact O-CB 3.17Å; S287-S291 PolarHBondContact O-N 2.93Å; S287-S291 PolarHBondContact O-OG 3.13Å; S287-S291 VanDerWaalsContact O-OG 3.13Å; A288-S291 WeakPolarHBondContact CA-OG 3.36Å; A288-S291 PolarHBondContact O-OG 3.23Å; V289-S291 PolarHBondContact O-N 3.37Å; S291-R294 PolarHBondContact O-N 3.19Å; S291-T295 WeakPolarHBondContact O-CB 3.09Å; S291-T295 PolarHBondContact O-N 3.3Å; S291-T295 PolarHBondContact O-OG1 3.12Å
292	S	77.5	Confident	79.6	Confident	77 Å²	77	81.8 Å²	81.8	54%	0.538	44%	0.437	S	S	.	.	H	α-helix	trans	-61.7	-45.4	175.7	-59.5	0	0	0	0	111.6	A288 V289 T295 A296	A288-S292 WeakPolarHBondContact O-CB 3.23Å; A288-S292 PolarHBondContact O-N 2.95Å; A288-S292 PolarHBondContact O-OG 3.41Å; V289-S292 PolarHBondContact O-N 2.98Å; S292-T295 PolarHBondContact O-N 3.44Å; S292-A296 WeakPolarHBondContact O-CB 3.23Å; S292-A296 PolarHBondContact O-N 2.88Å
293	Y	77.7	Confident	80.9	Confident	155 Å²	155	78.5 Å²	78.5	61%	0.608	42%	0.423	S	S	*	.	H	α-helix	trans	-64.6	-42.7	176.3	-176.8	-104.6	0	0	0	112.2	V289 L290 A296 L297	V289-Y293 PolarHBondContact O-N 3.32Å; V289-Y293 VanDerWaalsContact O-N 3.11Å; L290-Y293 PolarHBondContact O-N 3.25Å; Y293-A296 PolarHBondContact O-N 3.45Å; Y293-L297 HydrophobicContact CD1-CD1 3.86Å; Y293-L297 HydrophobicContact CD1-CG 4.37Å; Y293-L297 HydrophobicContact CE1-CD1 3.27Å; Y293-L297 HydrophobicContact CE1-CG 3.97Å; Y293-L297 HydrophobicContact CE2-CG 4.47Å; Y293-L297 PolarHBondContact O-N 3.14Å
294	R	82.1	Confident	82.1	Confident	167 Å²	167	76.4 Å²	76.4	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-60.5	-47	176.3	-175.4	179.9	178.4	131.1	-1.5	111.3	L290 S291 L297 Q298	L290-R294 WeakPolarHBondContact O-CB 3.36Å; L290-R294 PolarHBondContact O-N 3.05Å; S291-R294 PolarHBondContact O-N 3.19Å; R294-L297 PolarHBondContact O-N 3.31Å; R294-Q298 HydrophobicContact CG-CG 4.45Å; R294-Q298 VanDerWaalsContact O-CG 3.3Å; R294-Q298 WeakPolarHBondContact O-CG 3.34Å; R294-Q298 PolarHBondContact O-N 2.98Å
295	T	85.3	Confident	83.3	Confident	40 Å²	40	73.3 Å²	73.3	25%	0.245	40%	0.399	C	S	.	.	H	α-helix	trans	-60.2	-46.2	176.4	-60.7	0	0	0	0	110.7	S291 S292 L297 Q298 E299 I338	S291-T295 WeakPolarHBondContact O-CB 3.09Å; S291-T295 PolarHBondContact O-N 3.3Å; S291-T295 PolarHBondContact O-OG1 3.12Å; S292-T295 PolarHBondContact O-N 3.44Å; T295-L297 VanDerWaalsContact C-N 3.3Å; T295-L297 PolarHBondContact O-N 2.86Å; T295-Q298 PolarHBondContact O-N 2.81Å; T295-Q298 VanDerWaalsContact O-N 3.15Å; T295-E299 HydrophobicContact CG2-CG 3.97Å; T295-E299 WeakPolarHBondContact O-CB 3.26Å; T295-E299 WeakPolarHBondContact O-CG 3.45Å; T295-E299 PolarHBondContact O-N 2.87Å; T295-I338 HydrophobicContact CG2-CD1 3.72Å; T295-I338 HydrophobicContact CG2-CG1 4.02Å
296	A	84.2	Confident	84.7	Confident	57 Å²	57	70.8 Å²	70.8	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-40.5	177.4	0	0	0	0	0	112.7	S292 Y293 S300	S292-A296 WeakPolarHBondContact O-CB 3.23Å; S292-A296 PolarHBondContact O-N 2.88Å; Y293-A296 PolarHBondContact O-N 3.45Å; A296-S300 WeakPolarHBondContact O-CB 3.37Å; A296-S300 PolarHBondContact O-N 2.88Å; A296-S300 PolarHBondContact O-OG 2.82Å
297	L	85.5	Confident	86.2	Confident	95 Å²	95	65.9 Å²	65.9	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-66.3	-44	174.3	-74.3	179.5	0	0	0	112.5	Y293 R294 T295 S300	Y293-L297 HydrophobicContact CD1-CD1 3.86Å; Y293-L297 HydrophobicContact CD1-CG 4.37Å; Y293-L297 HydrophobicContact CE1-CD1 3.27Å; Y293-L297 HydrophobicContact CE1-CG 3.97Å; Y293-L297 HydrophobicContact CE2-CG 4.47Å; Y293-L297 PolarHBondContact O-N 3.14Å; R294-L297 PolarHBondContact O-N 3.31Å; T295-L297 VanDerWaalsContact C-N 3.3Å; T295-L297 PolarHBondContact O-N 2.86Å; L297-S300 PolarHBondContact O-OG 2.76Å
298	Q	88.3	Confident	87.2	Confident	92 Å²	92	66.5 Å²	66.5	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-44.1	179.2	-73.4	175.1	-45.9	0	0	111.4	R294 T295	R294-Q298 HydrophobicContact CG-CG 4.45Å; R294-Q298 VanDerWaalsContact O-CG 3.3Å; R294-Q298 WeakPolarHBondContact O-CG 3.34Å; R294-Q298 PolarHBondContact O-N 2.98Å; T295-Q298 PolarHBondContact O-N 2.81Å; T295-Q298 VanDerWaalsContact O-N 3.15Å
299	E	92.2	Very high	88.3	Confident	33 Å²	33	70.4 Å²	70.4	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-85.4	-9.8	-172.4	-59.8	-49.8	144.1	0	0	114.2	T295 F302 T334 I338 R341	T295-E299 HydrophobicContact CG2-CG 3.97Å; T295-E299 WeakPolarHBondContact O-CB 3.26Å; T295-E299 WeakPolarHBondContact O-CG 3.45Å; T295-E299 PolarHBondContact O-N 2.87Å; E299-F302 WeakPolarHBondContact O-CD1 3.36Å; E299-F302 WeakPolarHBondContact O-CE1 3.41Å; E299-T334 HydrophobicContact CG-CG2 4.32Å; E299-I338 HydrophobicContact CG-CD1 4.22Å; E299-R341 WeakPolarHBondContact OE1-CD 3.43Å; E299-R341 IonicContact OE1-CZ 3.48Å; E299-R341 IonicContact OE1-NE 3.32Å; E299-R341 IonicContact OE1-NH1 2.7Å; E299-R341 PolarHBondContact OE1-NH1 2.78Å
300	S	91.8	Very high	89.5	Confident	32 Å²	32	68.4 Å²	68.4	22%	0.224	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.4	-179.7	58.4	0	0	0	0	114.5	A296 L297 F302 L303 N304	A296-S300 WeakPolarHBondContact O-CB 3.37Å; A296-S300 PolarHBondContact O-N 2.88Å; A296-S300 PolarHBondContact O-OG 2.82Å; L297-S300 PolarHBondContact O-OG 2.76Å; S300-F302 VanDerWaalsContact C-N 3.3Å; S300-F302 PolarHBondContact O-N 3.19Å; S300-L303 WeakPolarHBondContact O-CB 3.19Å; S300-L303 PolarHBondContact O-N 2.77Å; S300-L303 VanDerWaalsContact O-N 3.14Å; S300-N304 PolarHBondContact O-N 2.92Å; S300-N304 VanDerWaalsContact O-N 3.12Å; S300-N304 PolarHBondContact O-ND2 2.63Å
301	A	93.4	Very high	90.5	Very high	62 Å²	62	67.6 Å²	67.6	51%	0.512	36%	0.36	S	S	.	.	H	α-helix	trans	-59.5	-38.5	-178.6	0	0	0	0	0	113	L303 N304 I305	A301-L303 VanDerWaalsContact C-N 3.33Å; A301-L303 PolarHBondContact O-N 3.16Å; A301-N304 PolarHBondContact O-N 3.13Å; A301-I305 PolarHBondContact O-N 3.43Å; A301-I305 VanDerWaalsContact O-N 3.14Å
302	F	95.6	Very high	91.4	Very high	27 Å²	27	69.3 Å²	69.3	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-44.7	176.1	85.7	-79.4	0	0	0	111.2	W152 E299 S300 N304 I305 Q306 Y327 W335	W152-F302 AromaticContact CE3-CD2 3.98Å; W152-F302 HydrophobicContact CE3-CD2 3.98Å; W152-F302 AromaticContact CE3-CE2 3.7Å; W152-F302 HydrophobicContact CE3-CE2 3.7Å; W152-F302 AromaticContact CH2-CD2 3.79Å; W152-F302 HydrophobicContact CH2-CD2 3.79Å; W152-F302 HydrophobicContact CH2-CE2 4.35Å; W152-F302 AromaticContact CZ3-CD2 3.27Å; W152-F302 HydrophobicContact CZ3-CD2 3.27Å; W152-F302 AromaticContact CZ3-CE2 3.4Å; W152-F302 HydrophobicContact CZ3-CE2 3.4Å; W152-F302 VanDerWaalsContact CZ3-CE2 3.4Å; W152-F302 HydrophobicContact CZ3-CG 4.19Å; W152-F302 HydrophobicContact CZ3-CZ 4.41Å; E299-F302 WeakPolarHBondContact O-CD1 3.36Å; E299-F302 WeakPolarHBondContact O-CE1 3.41Å; S300-F302 VanDerWaalsContact C-N 3.3Å; S300-F302 PolarHBondContact O-N 3.19Å; F302-N304 VanDerWaalsContact C-N 3.34Å; F302-N304 PolarHBondContact O-N 3.15Å; F302-I305 VanDerWaalsContact O-CG2 3.26Å; F302-I305 WeakPolarHBondContact O-CG2 3.4Å; F302-I305 PolarHBondContact O-N 3.25Å; F302-Q306 WeakPolarHBondContact O-CB 3.36Å; F302-Q306 WeakPolarHBondContact O-CG 3.41Å; F302-Q306 PolarHBondContact O-N 2.89Å; F302-Y327 WeakPolarHBondContact CB-OH 3.34Å; F302-W335 HydrophobicContact CD1-CZ2 4.25Å; F302-W335 HydrophobicContact CE1-CH2 4.29Å; F302-W335 AromaticContact CE1-CZ2 3.58Å; F302-W335 HydrophobicContact CE1-CZ2 3.58Å; F302-W335 AromaticContact CE2-CH2 3.97Å; F302-W335 HydrophobicContact CE2-CH2 3.97Å; F302-W335 HydrophobicContact CE2-CZ2 4.07Å; F302-W335 AromaticContact CZ-CH2 3.71Å; F302-W335 HydrophobicContact CZ-CH2 3.71Å; F302-W335 AromaticContact CZ-CZ2 3.46Å; F302-W335 HydrophobicContact CZ-CZ2 3.46Å; F302-W335 VanDerWaalsContact CZ-CZ2 3.46Å
303	L	93.9	Very high	92.3	Very high	61 Å²	61	66.3 Å²	66.3	32%	0.319	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-43.3	-179.9	179.5	63	0	0	0	110.3	S300 A301 Q306 S307 Y377	S300-L303 WeakPolarHBondContact O-CB 3.19Å; S300-L303 PolarHBondContact O-N 2.77Å; S300-L303 VanDerWaalsContact O-N 3.14Å; A301-L303 VanDerWaalsContact C-N 3.33Å; A301-L303 PolarHBondContact O-N 3.16Å; L303-Q306 PolarHBondContact O-N 2.91Å; L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.46Å; L303-S307 PolarHBondContact O-OG 2.83Å; L303-Y377 HydrophobicContact CD1-CD1 3.23Å; L303-Y377 HydrophobicContact CD1-CE1 3.65Å; L303-Y377 HydrophobicContact CD1-CG 3.92Å
304	N	94.6	Very high	93.3	Very high	98 Å²	98	59.2 Å²	59.2	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-48.4	178.9	-78	-80.4	0	0	0	112.4	S300 A301 F302 T308	S300-N304 PolarHBondContact O-N 2.92Å; S300-N304 VanDerWaalsContact O-N 3.12Å; S300-N304 PolarHBondContact O-ND2 2.63Å; A301-N304 PolarHBondContact O-N 3.13Å; F302-N304 VanDerWaalsContact C-N 3.34Å; F302-N304 PolarHBondContact O-N 3.15Å; N304-T308 WeakPolarHBondContact O-CG2 3.37Å; N304-T308 PolarHBondContact O-N 2.85Å; N304-T308 PolarHBondContact O-OG1 3.46Å
305	I	97	Very high	94.1	Very high	67 Å²	67	56 Å²	56	34%	0.344	32%	0.319	S	S	.	.	H	α-helix	trans	-69.5	-39.2	-179.4	-169.2	161.1	0	0	0	112	A301 F302 T308 K309 I313	A301-I305 PolarHBondContact O-N 3.43Å; A301-I305 VanDerWaalsContact O-N 3.14Å; F302-I305 VanDerWaalsContact O-CG2 3.26Å; F302-I305 WeakPolarHBondContact O-CG2 3.4Å; F302-I305 PolarHBondContact O-N 3.25Å; I305-T308 PolarHBondContact O-N 3.49Å; I305-T308 PolarHBondContact O-OG1 2.97Å; I305-K309 CarbonylContact O-C 3.3Å; I305-K309 PolarHBondContact O-N 2.83Å; I305-I313 HydrophobicContact CD1-CB 4.21Å; I305-I313 HydrophobicContact CD1-CD1 4.2Å; I305-I313 HydrophobicContact CG1-CB 4.39Å; I305-I313 HydrophobicContact CG1-CG2 4.36Å; I305-I313 HydrophobicContact CG2-CD1 4.03Å
306	Q	97.4	Very high	94.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69.3	-34	178.6	-68.1	-178.9	29.1	0	0	112.7	F302 L303 T308 P310 Y327 M374 Y377	F302-Q306 WeakPolarHBondContact O-CB 3.36Å; F302-Q306 WeakPolarHBondContact O-CG 3.41Å; F302-Q306 PolarHBondContact O-N 2.89Å; L303-Q306 PolarHBondContact O-N 2.91Å; Q306-T308 VanDerWaalsContact C-N 3.25Å; Q306-T308 PolarHBondContact O-N 3.33Å; Q306-P310 WeakPolarHBondContact O-CB 3.25Å; Q306-P310 VanDerWaalsContact O-CD 3.32Å; Q306-P310 WeakPolarHBondContact O-CD 3.46Å; Q306-Y327 VanDerWaalsContact NE2-CE1 3.34Å; Q306-Y327 PolarHBondContact NE2-OH 2.96Å; Q306-M374 HydrophobicContact CB-CB 4.14Å; Q306-M374 HydrophobicContact CB-CG 4.42Å; Q306-M374 HydrophobicContact CG-CB 3.95Å; Q306-M374 HydrophobicContact CG-CE 4.12Å; Q306-M374 HydrophobicContact CG-CG 3.71Å; Q306-M374 HydrophobicContact CG-SD 3.75Å; Q306-Y377 HydrophobicContact CB-CD2 4.04Å; Q306-Y377 HydrophobicContact CB-CG 4.46Å
307	S	95.9	Very high	95.3	Very high	12 Å²	12	57.7 Å²	57.7	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-75.4	-15.4	178.9	-53.2	0	0	0	0	113.4	L303 K378 I381	L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.46Å; L303-S307 PolarHBondContact O-OG 2.83Å; S307-K378 WeakPolarHBondContact O-CA 3.39Å; S307-K378 WeakPolarHBondContact O-CB 3.2Å; S307-K378 WeakPolarHBondContact O-CG 3.34Å; S307-I381 VanDerWaalsContact CB-CD1 3.49Å; S307-I381 WeakPolarHBondContact OG-CD1 3.49Å
308	T	95.5	Very high	95.8	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.46	31%	0.314	S	S	.	.	H	α-helix	trans	-116.4	-46.9	-173.6	56.4	0	0	0	0	112.9	N304 I305 Q306 P310	N304-T308 WeakPolarHBondContact O-CG2 3.37Å; N304-T308 PolarHBondContact O-N 2.85Å; N304-T308 PolarHBondContact O-OG1 3.46Å; I305-T308 PolarHBondContact O-N 3.49Å; I305-T308 PolarHBondContact O-OG1 2.97Å; Q306-T308 VanDerWaalsContact C-N 3.25Å; Q306-T308 PolarHBondContact O-N 3.33Å; T308-P310 VanDerWaalsContact C-CD 3.47Å
309	K	97.3	Very high	96.2	Very high	129 Å²	129	59 Å²	59	56%	0.561	32%	0.32	S	S	*	.			trans	-133.3	51.7	-172.4	-52.7	-63.4	170.5	-169.3	0	112.2	I305 D311 T312 I313	I305-K309 CarbonylContact O-C 3.3Å; I305-K309 PolarHBondContact O-N 2.83Å; K309-D311 VanDerWaalsContact C-N 3.3Å; K309-D311 PolarHBondContact O-N 3.25Å; K309-T312 PolarHBondContact O-N 3.02Å; K309-T312 VanDerWaalsContact O-N 3.11Å; K309-I313 PolarHBondContact O-N 3.17Å
310	P	97.9	Very high	96.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-38.6	-176	24.2	-32.3	0	0	0	112.5	Q306 T308 T312 I313 G314 M374 R375 K378	Q306-P310 WeakPolarHBondContact O-CB 3.25Å; Q306-P310 VanDerWaalsContact O-CD 3.32Å; Q306-P310 WeakPolarHBondContact O-CD 3.46Å; T308-P310 VanDerWaalsContact C-CD 3.47Å; P310-T312 VanDerWaalsContact C-N 3.31Å; P310-T312 PolarHBondContact O-N 3.41Å; P310-I313 WeakPolarHBondContact O-CG2 3.19Å; P310-G314 WeakPolarHBondContact O-CA 3.26Å; P310-G314 PolarHBondContact O-N 3.31Å; P310-M374 HydrophobicContact CB-CB 3.84Å; P310-R375 HydrophobicContact CB-CG 4.15Å; P310-R375 HydrophobicContact CG-CG 3.91Å; P310-K378 HydrophobicContact CG-CB 4.13Å; P310-K378 HydrophobicContact CG-CD 3.88Å
311	D	97.6	Very high	96.8	Very high	80 Å²	80	58.3 Å²	58.3	43%	0.428	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-30.7	179.2	-57.4	-102.5	0	0	0	112.9	K309 V315 R375	K309-D311 VanDerWaalsContact C-N 3.3Å; K309-D311 PolarHBondContact O-N 3.25Å; D311-V315 WeakPolarHBondContact O-CG2 3.2Å; D311-V315 PolarHBondContact O-N 3.32Å; D311-R375 IonicContact OD1-CZ 2.82Å; D311-R375 IonicContact OD1-NE 2.76Å; D311-R375 PolarHBondContact OD1-NE 2.82Å; D311-R375 IonicContact OD1-NH2 3.22Å; D311-R375 PolarHBondContact OD1-NH2 2.68Å; D311-R375 IonicContact OD2-CZ 2.62Å; D311-R375 IonicContact OD2-NE 3.76Å; D311-R375 PolarHBondContact OD2-NE 2.82Å; D311-R375 IonicContact OD2-NH2 3.08Å; D311-R375 PolarHBondContact OD2-NH2 2.98Å
312	T	98.3	Very high	97	Very high	95 Å²	95	56 Å²	56	58%	0.583	30%	0.299	S	S	*	.	H	α-helix	trans	-67.7	-52.8	179.1	-59.7	0	0	0	0	111.1	K309 P310 G314	K309-T312 PolarHBondContact O-N 3.02Å; K309-T312 VanDerWaalsContact O-N 3.11Å; P310-T312 VanDerWaalsContact C-N 3.31Å; P310-T312 PolarHBondContact O-N 3.41Å; T312-G314 VanDerWaalsContact C-N 3.34Å
313	I	97.9	Very high	97.1	Very high	15 Å²	15	56 Å²	56	8%	0.077	31%	0.305	C	S	.	.	H	α-helix	trans	-71.5	-33.2	178.4	-170.7	172.8	0	0	0	111.5	I305 K309 P310 V315 L316 L317 Y327 M374	I305-I313 HydrophobicContact CD1-CB 4.21Å; I305-I313 HydrophobicContact CD1-CD1 4.2Å; I305-I313 HydrophobicContact CG1-CB 4.39Å; I305-I313 HydrophobicContact CG1-CG2 4.36Å; I305-I313 HydrophobicContact CG2-CD1 4.03Å; K309-I313 PolarHBondContact O-N 3.17Å; P310-I313 WeakPolarHBondContact O-CG2 3.19Å; I313-V315 VanDerWaalsContact C-N 3.3Å; I313-V315 PolarHBondContact O-N 3Å; I313-L316 WeakPolarHBondContact O-CB 3.19Å; I313-L316 PolarHBondContact O-N 2.9Å; I313-L316 VanDerWaalsContact O-N 3.09Å; I313-L317 HydrophobicContact CD1-CD1 4.25Å; I313-L317 HydrophobicContact CG1-CD1 3.94Å; I313-L317 HydrophobicContact CG1-CG 4.13Å; I313-L317 WeakPolarHBondContact O-CG 3.37Å; I313-L317 PolarHBondContact O-N 3.25Å; I313-L317 VanDerWaalsContact O-N 3.1Å; I313-Y327 HydrophobicContact CD1-CD2 4.24Å; I313-Y327 HydrophobicContact CD1-CE2 3.44Å; I313-Y327 VanDerWaalsContact CD1-CE2 3.44Å; I313-M374 HydrophobicContact CG2-CE 4.48Å; I313-M374 HydrophobicContact CG2-SD 3.63Å
314	G	98.2	Very high	97.4	Very high	5 Å²	5	53.1 Å²	53.1	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-37.3	179.2	0	0	0	0	0	113.3	P310 T312 R318	P310-G314 WeakPolarHBondContact O-CA 3.26Å; P310-G314 PolarHBondContact O-N 3.31Å; T312-G314 VanDerWaalsContact C-N 3.34Å; G314-R318 WeakPolarHBondContact O-CB 3.27Å; G314-R318 PolarHBondContact O-N 2.93Å
315	V	97.9	Very high	97.5	Very high	101 Å²	101	48.4 Å²	48.4	61%	0.612	27%	0.266	S	S	*	.	H	α-helix	trans	-62	-43.8	174.7	171	0	0	0	0	111.3	D311 I313 R318 D319	D311-V315 WeakPolarHBondContact O-CG2 3.2Å; D311-V315 PolarHBondContact O-N 3.32Å; I313-V315 VanDerWaalsContact C-N 3.3Å; I313-V315 PolarHBondContact O-N 3Å; V315-R318 PolarHBondContact O-N 3.06Å; V315-D319 PolarHBondContact O-N 3.46Å
316	L	96.8	Very high	97.6	Very high	118 Å²	118	46.3 Å²	46.3	62%	0.618	26%	0.258	S	S	*	.	H	α-helix	trans	-64.2	-46.3	-179	-56.7	174.9	0	0	0	111.6	I313 R318 D319 S320	I313-L316 WeakPolarHBondContact O-CB 3.19Å; I313-L316 PolarHBondContact O-N 2.9Å; I313-L316 VanDerWaalsContact O-N 3.09Å; L316-R318 VanDerWaalsContact C-N 3.33Å; L316-D319 PolarHBondContact O-N 3.25Å; L316-S320 PolarHBondContact O-N 2.75Å
317	L	97.9	Very high	97.6	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-73.9	-25.7	-178.5	-59	177.6	0	0	0	112.4	I313 L324 Y327 I370 M374	I313-L317 HydrophobicContact CD1-CD1 4.25Å; I313-L317 HydrophobicContact CG1-CD1 3.94Å; I313-L317 HydrophobicContact CG1-CG 4.13Å; I313-L317 WeakPolarHBondContact O-CG 3.37Å; I313-L317 PolarHBondContact O-N 3.25Å; I313-L317 VanDerWaalsContact O-N 3.1Å; L317-L324 HydrophobicContact CB-CD1 4.38Å; L317-Y327 HydrophobicContact CD1-CD1 3.73Å; L317-Y327 HydrophobicContact CD1-CD2 4.3Å; L317-Y327 HydrophobicContact CD1-CE1 4.08Å; L317-Y327 HydrophobicContact CD1-CG 3.84Å; L317-Y327 HydrophobicContact CD2-CD2 4.32Å; L317-Y327 HydrophobicContact CD2-CG 4.04Å; L317-I370 HydrophobicContact CB-CG1 3.99Å; L317-I370 HydrophobicContact CB-CG2 3.92Å; L317-I370 HydrophobicContact CD1-CD1 4.47Å; L317-I370 HydrophobicContact CD1-CG1 3.83Å; L317-M374 HydrophobicContact CD1-CE 3.32Å; L317-M374 HydrophobicContact CD1-SD 4.4Å
318	R	97.3	Very high	97.7	Very high	111 Å²	111	47.7 Å²	47.7	42%	0.419	26%	0.262	S	S	.	.	H	α-helix	trans	-71.9	-32.4	174.9	179.6	57.3	-179.8	157.6	-9.8	112.4	G314 V315 L316 W365 I370	G314-R318 WeakPolarHBondContact O-CB 3.27Å; G314-R318 PolarHBondContact O-N 2.93Å; V315-R318 PolarHBondContact O-N 3.06Å; L316-R318 VanDerWaalsContact C-N 3.33Å; R318-W365 PolarHBondContact NH1-O 3.45Å; R318-W365 WeakPolarHBondContact O-CH2 3.29Å; R318-W365 VanDerWaalsContact O-CZ3 3.27Å; R318-W365 WeakPolarHBondContact O-CZ3 3.12Å; R318-I370 HydrophobicContact CB-CG2 4.41Å
319	D	97	Very high	97.9	Very high	103 Å²	103	44.1 Å²	44.1	55%	0.551	24%	0.24	S	C	*	.	H	α-helix	trans	-84.8	-29.8	-176.8	-169.7	51.9	0	0	0	113.1	R68 V315 L316	R68-D319 IonicContact CZ-OD1 2.93Å; R68-D319 PolarHBondContact NH1-O 3.37Å; R68-D319 IonicContact NH1-OD1 2.86Å; R68-D319 PolarHBondContact NH1-OD1 2.93Å; R68-D319 IonicContact NH2-OD1 2.6Å; V315-D319 PolarHBondContact O-N 3.46Å; L316-D319 PolarHBondContact O-N 3.25Å
320	S	97.7	Very high	97.9	Very high	49 Å²	49	39.5 Å²	39.5	34%	0.343	22%	0.22	S	C	.	.			trans	-113.4	108.4	-176.1	-178.5	0	0	0	0	112.8	L316 V322 G323 L324	L316-S320 PolarHBondContact O-N 2.75Å; S320-V322 PolarHBondContact O-N 3.47Å; S320-G323 PolarHBondContact O-N 3.33Å; S320-G323 VanDerWaalsContact O-N 3.14Å; S320-G323 PolarHBondContact OG-N 3.38Å; S320-L324 PolarHBondContact O-N 3.32Å
321	A	98	Very high	97.9	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-42.5	176.8	0	0	0	0	0	112.6	L65 L69 W100 G323 L324 A325 W365	L65-A321 HydrophobicContact CD1-CB 3.63Å; L69-A321 HydrophobicContact CD2-CB 3.87Å; L69-A321 HydrophobicContact CG-CB 4.44Å; W100-A321 HydrophobicContact CH2-CB 3.89Å; W100-A321 HydrophobicContact CZ3-CB 4.11Å; A321-G323 VanDerWaalsContact C-N 3.34Å; A321-L324 PolarHBondContact O-N 3.43Å; A321-A325 PolarHBondContact O-N 2.78Å; A321-W365 VanDerWaalsContact CA-CZ3 3.45Å; A321-W365 HydrophobicContact CB-CD2 4.09Å; A321-W365 HydrophobicContact CB-CE3 3.81Å; A321-W365 HydrophobicContact CB-CH2 3.93Å; A321-W365 HydrophobicContact CB-CZ2 4.19Å; A321-W365 HydrophobicContact CB-CZ3 3.73Å; A321-W365 VanDerWaalsContact N-CZ3 3.31Å
322	V	98	Very high	97.9	Very high	14 Å²	14	36 Å²	36	9%	0.085	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-33.3	175.3	-178.4	0	0	0	0	111.3	L69 A72 F74 R97 S320 A325 A326	L69-V322 HydrophobicContact CD2-CG2 3.77Å; A72-V322 HydrophobicContact CB-CB 4.37Å; A72-V322 HydrophobicContact CB-CG2 3.63Å; F74-V322 HydrophobicContact CD1-CG1 4.39Å; F74-V322 HydrophobicContact CE1-CG1 3.54Å; F74-V322 HydrophobicContact CZ-CG1 3.84Å; F74-V322 HydrophobicContact CZ-CG2 4.49Å; R97-V322 HydrophobicContact CB-CG2 4.23Å; R97-V322 HydrophobicContact CG-CG2 4.02Å; S320-V322 PolarHBondContact O-N 3.47Å; V322-A325 PolarHBondContact O-N 3.41Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 3.31Å
323	G	97.9	Very high	97.9	Very high	25 Å²	25	31.5 Å²	31.5	26%	0.258	17%	0.173	S	C	.	.	H	α-helix	trans	-64.1	-43.8	173.2	0	0	0	0	0	112.3	S320 A321 A326 Y327	S320-G323 PolarHBondContact O-N 3.33Å; S320-G323 VanDerWaalsContact O-N 3.14Å; S320-G323 PolarHBondContact OG-N 3.38Å; A321-G323 VanDerWaalsContact C-N 3.34Å; G323-A326 PolarHBondContact O-N 3.36Å; G323-Y327 WeakPolarHBondContact O-CB 3.34Å; G323-Y327 PolarHBondContact O-N 2.97Å
324	L	98.4	Very high	97.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-49.2	171.8	178.2	63.6	0	0	0	111.2	L317 S320 A321 A326 Y327 M328 V361 W365 I370	L317-L324 HydrophobicContact CB-CD1 4.38Å; S320-L324 PolarHBondContact O-N 3.32Å; A321-L324 PolarHBondContact O-N 3.43Å; L324-A326 PolarHBondContact O-N 3.28Å; L324-Y327 PolarHBondContact O-N 2.83Å; L324-M328 HydrophobicContact CD1-CG 4.17Å; L324-M328 HydrophobicContact CD1-SD 3.69Å; L324-M328 HydrophobicContact CG-SD 3.87Å; L324-M328 WeakPolarHBondContact O-CG 3.49Å; L324-M328 PolarHBondContact O-N 2.76Å; L324-V361 HydrophobicContact CD2-CG1 3.98Å; L324-V361 HydrophobicContact CG-CG1 4.06Å; L324-W365 HydrophobicContact CD2-CB 3.92Å; L324-W365 HydrophobicContact CD2-CE3 4.02Å; L324-I370 HydrophobicContact CD1-CB 3.84Å; L324-I370 HydrophobicContact CD1-CD1 3.68Å; L324-I370 HydrophobicContact CD1-CG1 3.53Å; L324-I370 HydrophobicContact CD1-CG2 4.28Å
325	A	98.4	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-49.3	177.4	0	0	0	0	0	111.4	F96 W100 A321 V322 Y327 M328 L329 V361	F96-A325 HydrophobicContact CD1-CB 4.14Å; F96-A325 HydrophobicContact CE1-CB 3.71Å; F96-A325 HydrophobicContact CZ-CB 4.46Å; W100-A325 HydrophobicContact CZ3-CB 4.21Å; A321-A325 PolarHBondContact O-N 2.78Å; V322-A325 PolarHBondContact O-N 3.41Å; A325-Y327 VanDerWaalsContact C-N 3.29Å; A325-Y327 PolarHBondContact O-N 2.77Å; A325-M328 PolarHBondContact O-N 2.67Å; A325-L329 HydrophobicContact CB-CD1 4.14Å; A325-L329 VanDerWaalsContact O-CB 3.23Å; A325-L329 WeakPolarHBondContact O-CB 3.46Å; A325-L329 WeakPolarHBondContact O-CG 3.38Å; A325-L329 PolarHBondContact O-N 3.01Å; A325-V361 HydrophobicContact CB-CG1 4.11Å; A325-V361 HydrophobicContact CB-CG2 4.05Å
326	A	98.1	Very high	97.8	Very high	22 Å²	22	26.7 Å²	26.7	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-55.5	-45.3	177.9	0	0	0	0	0	112.5	A88 L93 V322 G323 L324 M328 E330	A88-A326 HydrophobicContact CB-CB 4.08Å; L93-A326 HydrophobicContact CD1-CB 3.56Å; L93-A326 HydrophobicContact CD2-CB 3.86Å; L93-A326 HydrophobicContact CG-CB 4.37Å; V322-A326 WeakPolarHBondContact O-CB 3.48Å; V322-A326 PolarHBondContact O-N 3.31Å; G323-A326 PolarHBondContact O-N 3.36Å; L324-A326 PolarHBondContact O-N 3.28Å; A326-M328 PolarHBondContact O-N 3.42Å; A326-E330 WeakPolarHBondContact O-CB 3.42Å; A326-E330 PolarHBondContact O-N 3.49Å
327	Y	98.2	Very high	97.8	Very high	41 Å²	41	24 Å²	24	16%	0.161	13%	0.129	C	C	.	.	H	α-helix	trans	-67.3	-36.3	-178.2	-163.5	-96.3	0	0	0	113	W152 F302 Q306 I313 L317 G323 L324 A325 M374	W152-Y327 HydrophobicContact CH2-CD1 4.05Å; W152-Y327 AromaticContact CH2-CE1 3.54Å; W152-Y327 HydrophobicContact CH2-CE1 3.54Å; W152-Y327 AromaticContact CZ2-CD1 3.95Å; W152-Y327 HydrophobicContact CZ2-CD1 3.95Å; W152-Y327 AromaticContact CZ2-CE1 3.55Å; W152-Y327 HydrophobicContact CZ2-CE1 3.55Å; F302-Y327 WeakPolarHBondContact CB-OH 3.34Å; Q306-Y327 VanDerWaalsContact NE2-CE1 3.34Å; Q306-Y327 PolarHBondContact NE2-OH 2.96Å; I313-Y327 HydrophobicContact CD1-CD2 4.24Å; I313-Y327 HydrophobicContact CD1-CE2 3.44Å; I313-Y327 VanDerWaalsContact CD1-CE2 3.44Å; L317-Y327 HydrophobicContact CD1-CD1 3.73Å; L317-Y327 HydrophobicContact CD1-CD2 4.3Å; L317-Y327 HydrophobicContact CD1-CE1 4.08Å; L317-Y327 HydrophobicContact CD1-CG 3.84Å; L317-Y327 HydrophobicContact CD2-CD2 4.32Å; L317-Y327 HydrophobicContact CD2-CG 4.04Å; G323-Y327 WeakPolarHBondContact O-CB 3.34Å; G323-Y327 PolarHBondContact O-N 2.97Å; L324-Y327 PolarHBondContact O-N 2.83Å; A325-Y327 VanDerWaalsContact C-N 3.29Å; A325-Y327 PolarHBondContact O-N 2.77Å; Y327-M374 HydrophobicContact CD1-CE 4Å; Y327-M374 HydrophobicContact CE1-CE 3.41Å; Y327-M374 VanDerWaalsContact CE1-CE 3.41Å
328	M	98.3	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-80.3	-48.3	178.6	-68.1	176.5	63.6	0	0	112.3	P153 L324 A325 A326 E330 K331 Y332 Q360 V361 Y364	P153-M328 HydrophobicContact CB-CE 4.19Å; P153-M328 HydrophobicContact CB-CG 4.08Å; L324-M328 HydrophobicContact CD1-CG 4.17Å; L324-M328 HydrophobicContact CD1-SD 3.69Å; L324-M328 HydrophobicContact CG-SD 3.87Å; L324-M328 WeakPolarHBondContact O-CG 3.49Å; L324-M328 PolarHBondContact O-N 2.76Å; A325-M328 PolarHBondContact O-N 2.67Å; A326-M328 PolarHBondContact O-N 3.42Å; M328-E330 VanDerWaalsContact C-N 3.26Å; M328-E330 PolarHBondContact O-N 3.45Å; M328-K331 WeakPolarHBondContact O-CA 3.45Å; M328-K331 WeakPolarHBondContact O-CB 3.47Å; M328-K331 PolarHBondContact O-N 3.14Å; M328-Y332 HydrophobicContact CE-CE2 4.47Å; M328-Y332 WeakPolarHBondContact O-CD2 3.46Å; M328-Y332 PolarHBondContact O-N 2.84Å; M328-Q360 HydrophobicContact CE-CB 4.37Å; M328-Q360 WeakPolarHBondContact CE-O 3.32Å; M328-V361 HydrophobicContact SD-CG2 4.33Å; M328-Y364 HydrophobicContact CE-CD2 3.47Å; M328-Y364 VanDerWaalsContact CE-CD2 3.47Å; M328-Y364 HydrophobicContact CE-CE2 3.83Å; M328-Y364 HydrophobicContact CE-CG 4.03Å; M328-Y364 HydrophobicContact SD-CD2 4.1Å; M328-Y364 HydrophobicContact SD-CG 4.03Å
329	L	98.3	Very high	97.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-30.4	-174	-66.2	173.7	0	0	0	112.7	F92 L93 F96 A325 K331 Y332 S333 L348 L357	F92-L329 HydrophobicContact CE1-CD1 4.3Å; L93-L329 HydrophobicContact CD2-CD1 4.31Å; F96-L329 HydrophobicContact CD1-CD1 4.05Å; F96-L329 HydrophobicContact CD2-CD1 3.57Å; F96-L329 HydrophobicContact CE1-CD1 4.01Å; F96-L329 HydrophobicContact CE2-CD1 3.53Å; F96-L329 HydrophobicContact CE2-CD2 3.96Å; F96-L329 HydrophobicContact CE2-CG 4.35Å; F96-L329 HydrophobicContact CG-CD1 3.83Å; F96-L329 HydrophobicContact CZ-CD1 3.74Å; F96-L329 HydrophobicContact CZ-CD2 4.29Å; F96-L329 HydrophobicContact CZ-CG 4.47Å; A325-L329 HydrophobicContact CB-CD1 4.14Å; A325-L329 VanDerWaalsContact O-CB 3.23Å; A325-L329 WeakPolarHBondContact O-CB 3.46Å; A325-L329 WeakPolarHBondContact O-CG 3.38Å; A325-L329 PolarHBondContact O-N 3.01Å; L329-K331 PolarHBondContact O-N 3.25Å; L329-Y332 PolarHBondContact O-N 3.03Å; L329-S333 PolarHBondContact O-N 2.84Å; L329-L348 HydrophobicContact CB-CD1 4.06Å; L329-L357 HydrophobicContact CD2-CB 3.88Å; L329-L357 HydrophobicContact CD2-CD1 4.34Å; L329-L357 HydrophobicContact CD2-CD2 3.89Å; L329-L357 HydrophobicContact CD2-CG 4.25Å
330	E	97.8	Very high	97.4	Very high	31 Å²	31	19.7 Å²	19.7	15%	0.145	12%	0.118	C	C	.	.	H	α-helix	trans	-57.6	-39.1	171.4	-176	-90.5	111.9	0	0	111.2	A88 A326 M328 S333 T334	A88-E330 HydrophobicContact CB-CB 4.41Å; A326-E330 WeakPolarHBondContact O-CB 3.42Å; A326-E330 PolarHBondContact O-N 3.49Å; M328-E330 VanDerWaalsContact C-N 3.26Å; M328-E330 PolarHBondContact O-N 3.45Å; E330-S333 WeakPolarHBondContact O-CB 3.49Å; E330-S333 PolarHBondContact O-N 3.49Å; E330-T334 WeakPolarHBondContact O-CB 3.34Å; E330-T334 PolarHBondContact O-N 3.03Å; E330-T334 PolarHBondContact O-OG1 3.02Å; E330-T334 VanDerWaalsContact O-OG1 3.05Å; E330-T334 PolarHBondContact OE1-OG1 3.32Å
331	K	97.9	Very high	97.4	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-70.8	-42.8	176.2	-55	-46.2	-177.9	-164.7	0	112.3	W152 P153 M328 L329 S333 T334 W335	W152-K331 HydrophobicContact CH2-CG 4.22Å; W152-K331 HydrophobicContact CZ3-CG 4.09Å; P153-K331 HydrophobicContact CG-CB 4.01Å; P153-K331 HydrophobicContact CG-CG 4.4Å; M328-K331 WeakPolarHBondContact O-CA 3.45Å; M328-K331 WeakPolarHBondContact O-CB 3.47Å; M328-K331 PolarHBondContact O-N 3.14Å; L329-K331 PolarHBondContact O-N 3.25Å; K331-S333 PolarHBondContact O-N 3.25Å; K331-T334 PolarHBondContact O-N 3.26Å; K331-W335 HydrophobicContact CB-CD2 3.94Å; K331-W335 HydrophobicContact CB-CE3 3.97Å; K331-W335 HydrophobicContact CB-CH2 4.33Å; K331-W335 HydrophobicContact CB-CZ2 4.28Å; K331-W335 HydrophobicContact CB-CZ3 4.19Å; K331-W335 HydrophobicContact CD-CD2 4.39Å; K331-W335 HydrophobicContact CD-CH2 4.35Å; K331-W335 HydrophobicContact CD-CZ2 3.66Å; K331-W335 HydrophobicContact CG-CH2 4.19Å; K331-W335 HydrophobicContact CG-CZ2 4Å; K331-W335 VanDerWaalsContact O-CB 3.26Å; K331-W335 WeakPolarHBondContact O-CB 3.47Å; K331-W335 PolarHBondContact O-N 3.3Å
332	Y	98.1	Very high	97.3	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-58.1	-31.9	172.3	-77.2	-82.8	0	0	0	112.5	P153 M328 L329 T336 F352 L357 Q360 F434 L437	P153-Y332 HydrophobicContact CG-CE2 4.1Å; M328-Y332 HydrophobicContact CE-CE2 4.47Å; M328-Y332 WeakPolarHBondContact O-CD2 3.46Å; M328-Y332 PolarHBondContact O-N 2.84Å; L329-Y332 PolarHBondContact O-N 3.03Å; Y332-T336 VanDerWaalsContact O-CB 3.26Å; Y332-T336 WeakPolarHBondContact O-CB 3.47Å; Y332-T336 PolarHBondContact O-OG1 2.82Å; Y332-F352 HydrophobicContact CD1-CE1 4.23Å; Y332-F352 HydrophobicContact CD1-CE2 4.15Å; Y332-F352 AromaticContact CD1-CZ 3.88Å; Y332-F352 HydrophobicContact CD1-CZ 3.88Å; Y332-L357 HydrophobicContact CD1-CD2 4.31Å; Y332-L357 HydrophobicContact CG-CD2 4.16Å; Y332-Q360 HydrophobicContact CE1-CG 4.4Å; Y332-Q360 HydrophobicContact CE2-CB 4.3Å; Y332-Q360 WeakPolarHBondContact OH-CG 3.42Å; Y332-F434 HydrophobicContact CD1-CD1 4.13Å; Y332-F434 AromaticContact CD1-CD2 3.71Å; Y332-F434 HydrophobicContact CD1-CD2 3.71Å; Y332-F434 HydrophobicContact CD1-CE1 4.16Å; Y332-F434 AromaticContact CD1-CE2 3.76Å; Y332-F434 HydrophobicContact CD1-CE2 3.76Å; Y332-F434 AromaticContact CD1-CG 3.89Å; Y332-F434 HydrophobicContact CD1-CG 3.89Å; Y332-F434 AromaticContact CD1-CZ 3.97Å; Y332-F434 HydrophobicContact CD1-CZ 3.97Å; Y332-F434 HydrophobicContact CD2-CZ 4.48Å; Y332-F434 HydrophobicContact CE1-CB 4.41Å; Y332-F434 AromaticContact CE1-CD1 3.59Å; Y332-F434 HydrophobicContact CE1-CD1 3.59Å; Y332-F434 HydrophobicContact CE1-CD2 4.04Å; Y332-F434 AromaticContact CE1-CE1 3.73Å; Y332-F434 HydrophobicContact CE1-CE1 3.73Å; Y332-F434 HydrophobicContact CE1-CE2 4.18Å; Y332-F434 AromaticContact CE1-CG 3.74Å; Y332-F434 HydrophobicContact CE1-CG 3.74Å; Y332-F434 HydrophobicContact CE1-CZ 4.02Å; Y332-F434 HydrophobicContact CE2-CE1 4.49Å; Y332-F434 HydrophobicContact CG-CD2 4.46Å; Y332-F434 HydrophobicContact CG-CE2 4.09Å; Y332-F434 HydrophobicContact CG-CZ 4.2Å; Y332-F434 AromaticContact CZ-CE1 3.91Å; Y332-L437 HydrophobicContact CE1-CD1 3.85Å
333	S	98.2	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-71.3	-63.6	173.2	174.2	0	0	0	0	111.2	L329 E330 K331 W335 T336 N337 N340 G346	L329-S333 PolarHBondContact O-N 2.84Å; E330-S333 WeakPolarHBondContact O-CB 3.49Å; E330-S333 PolarHBondContact O-N 3.49Å; K331-S333 PolarHBondContact O-N 3.25Å; S333-W335 PolarHBondContact O-N 3.33Å; S333-T336 PolarHBondContact O-N 3.36Å; S333-N337 PolarHBondContact O-N 3.04Å; S333-N340 PolarHBondContact O-ND2 2.62Å; S333-G346 WeakPolarHBondContact CB-O 3.33Å; S333-G346 VanDerWaalsContact OG-C 3.3Å; S333-G346 VanDerWaalsContact OG-CA 3.31Å; S333-G346 WeakPolarHBondContact OG-CA 3.4Å; S333-G346 PolarHBondContact OG-O 2.99Å
334	T	97.2	Very high	97.1	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-69.1	-38.7	-167.2	-55.1	0	0	0	0	112.9	E299 E330 K331 T336 N337 I338 R341	E299-T334 HydrophobicContact CG-CG2 4.32Å; E330-T334 WeakPolarHBondContact O-CB 3.34Å; E330-T334 PolarHBondContact O-N 3.03Å; E330-T334 PolarHBondContact O-OG1 3.02Å; E330-T334 VanDerWaalsContact O-OG1 3.05Å; E330-T334 PolarHBondContact OE1-OG1 3.32Å; K331-T334 PolarHBondContact O-N 3.26Å; T334-T336 VanDerWaalsContact C-N 3.34Å; T334-N337 CarbonylContact O-C 3.49Å; T334-I338 HydrophobicContact CG2-CD1 3.51Å; T334-I338 PolarHBondContact O-N 3.43Å; T334-R341 HydrophobicContact CG2-CG 4.06Å
335	W	97.3	Very high	97	Very high	13 Å²	13	31 Å²	31	5%	0.049	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.3	-177.3	-57.7	-10.5	0	0	0	113.5	W152 F302 K331 S333 G405 P407 H433 F434	W152-W335 AromaticContact CE3-CH2 3.93Å; W152-W335 HydrophobicContact CE3-CH2 3.93Å; W152-W335 HydrophobicContact CE3-CZ3 4.47Å; W152-W335 AromaticContact CZ3-CH2 3.8Å; W152-W335 HydrophobicContact CZ3-CH2 3.8Å; W152-W335 HydrophobicContact CZ3-CZ2 4.48Å; W152-W335 WeakPolarHBondContact O-CZ3 3.41Å; F302-W335 HydrophobicContact CD1-CZ2 4.25Å; F302-W335 HydrophobicContact CE1-CH2 4.29Å; F302-W335 AromaticContact CE1-CZ2 3.58Å; F302-W335 HydrophobicContact CE1-CZ2 3.58Å; F302-W335 AromaticContact CE2-CH2 3.97Å; F302-W335 HydrophobicContact CE2-CH2 3.97Å; F302-W335 HydrophobicContact CE2-CZ2 4.07Å; F302-W335 AromaticContact CZ-CH2 3.71Å; F302-W335 HydrophobicContact CZ-CH2 3.71Å; F302-W335 AromaticContact CZ-CZ2 3.46Å; F302-W335 HydrophobicContact CZ-CZ2 3.46Å; F302-W335 VanDerWaalsContact CZ-CZ2 3.46Å; K331-W335 HydrophobicContact CB-CD2 3.94Å; K331-W335 HydrophobicContact CB-CE3 3.97Å; K331-W335 HydrophobicContact CB-CH2 4.33Å; K331-W335 HydrophobicContact CB-CZ2 4.28Å; K331-W335 HydrophobicContact CB-CZ3 4.19Å; K331-W335 HydrophobicContact CD-CD2 4.39Å; K331-W335 HydrophobicContact CD-CH2 4.35Å; K331-W335 HydrophobicContact CD-CZ2 3.66Å; K331-W335 HydrophobicContact CG-CH2 4.19Å; K331-W335 HydrophobicContact CG-CZ2 4Å; K331-W335 VanDerWaalsContact O-CB 3.26Å; K331-W335 WeakPolarHBondContact O-CB 3.47Å; K331-W335 PolarHBondContact O-N 3.3Å; S333-W335 PolarHBondContact O-N 3.33Å; W335-G405 VanDerWaalsContact O-O 3.08Å; W335-P407 HydrophobicContact CB-CG 4.04Å; W335-P407 HydrophobicContact CD2-CG 4.43Å; W335-P407 HydrophobicContact CG-CG 3.88Å; W335-H433 HydrophobicContact CB-CB 3.66Å; W335-H433 AromaticContact CE3-CD2 3.45Å; W335-H433 VanDerWaalsContact CE3-CD2 3.45Å; W335-H433 AromaticContact CE3-NE2 3.7Å; W335-H433 AromaticContact CZ3-NE2 3.84Å; W335-H433 VanDerWaalsContact O-CB 3.24Å; W335-H433 WeakPolarHBondContact O-CB 3.4Å; W335-H433 PolarHBondContact O-N 2.94Å; W335-F434 HydrophobicContact CB-CE2 3.97Å; W335-F434 HydrophobicContact CE3-CE1 4.45Å; W335-F434 HydrophobicContact CE3-CE2 4.16Å; W335-F434 AromaticContact CE3-CZ 3.64Å; W335-F434 HydrophobicContact CE3-CZ 3.64Å; W335-F434 HydrophobicContact CZ3-CZ 4.28Å
336	T	97.2	Very high	96.9	Very high	4 Å²	4	31 Å²	31	3%	0.025	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-45.9	167.1	-63.5	0	0	0	0	110.2	Y332 S333 T334 H351 F352 G405 E438	Y332-T336 VanDerWaalsContact O-CB 3.26Å; Y332-T336 WeakPolarHBondContact O-CB 3.47Å; Y332-T336 PolarHBondContact O-OG1 2.82Å; S333-T336 PolarHBondContact O-N 3.36Å; T334-T336 VanDerWaalsContact C-N 3.34Å; T336-H351 HydrophobicContact CG2-CB 3.91Å; T336-H351 WeakPolarHBondContact CG2-CD2 3.39Å; T336-H351 VanDerWaalsContact CG2-CG 3.42Å; T336-F352 HydrophobicContact CG2-CE2 4.49Å; T336-F352 WeakPolarHBondContact OG1-CE2 3.48Å; T336-F352 WeakPolarHBondContact OG1-CZ 3.33Å; T336-G405 WeakPolarHBondContact O-CA 3.33Å; T336-E438 WeakPolarHBondContact CG2-OE2 3.5Å
337	N	95.9	Very high	96.9	Very high	62 Å²	62	30 Å²	30	33%	0.332	16%	0.159	S	C	.	.			trans	-158.5	126.5	169.9	-172.9	-23.2	0	0	0	110.3	S333 T334 S339 N340	S333-N337 PolarHBondContact O-N 3.04Å; T334-N337 CarbonylContact O-C 3.49Å; N337-S339 PolarHBondContact ND2-OG 3.01Å; N337-S339 PolarHBondContact O-N 3.13Å; N337-S339 PolarHBondContact OD1-N 3.06Å; N337-S339 PolarHBondContact OD1-OG 3.46Å; N337-N340 WeakPolarHBondContact O-CB 3.34Å; N337-N340 PolarHBondContact O-N 3.39Å
338	I	93.7	Very high	96.9	Very high	73 Å²	73	28 Å²	28	37%	0.374	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-58.2	-26.5	-178.3	-165	60.2	0	0	0	113.9	T295 E299 T334 N340 R341	T295-I338 HydrophobicContact CG2-CD1 3.72Å; T295-I338 HydrophobicContact CG2-CG1 4.02Å; E299-I338 HydrophobicContact CG-CD1 4.22Å; T334-I338 HydrophobicContact CG2-CD1 3.51Å; T334-I338 PolarHBondContact O-N 3.43Å; I338-N340 VanDerWaalsContact C-N 3.26Å; I338-N340 PolarHBondContact O-N 3.25Å; I338-R341 PolarHBondContact O-NE 3.21Å
339	S	94.9	Very high	96.8	Very high	56 Å²	56	31.5 Å²	31.5	39%	0.392	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-75	-15.3	177.2	68	0	0	0	0	113.2	N337 R341 L342	N337-S339 PolarHBondContact ND2-OG 3.01Å; N337-S339 PolarHBondContact O-N 3.13Å; N337-S339 PolarHBondContact OD1-N 3.06Å; N337-S339 PolarHBondContact OD1-OG 3.46Å; S339-R341 PolarHBondContact O-N 2.94Å; S339-R341 VanDerWaalsContact O-N 3.17Å; S339-L342 WeakPolarHBondContact O-CB 3.38Å; S339-L342 PolarHBondContact O-N 3.5Å; S339-L342 VanDerWaalsContact O-N 3.07Å
340	N	97	Very high	96.7	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-60.4	-24.1	177.1	-75.2	-11.7	0	0	0	112.7	S333 N337 I338 L342 L343 G346	S333-N340 PolarHBondContact O-ND2 2.62Å; N337-N340 WeakPolarHBondContact O-CB 3.34Å; N337-N340 PolarHBondContact O-N 3.39Å; I338-N340 VanDerWaalsContact C-N 3.26Å; I338-N340 PolarHBondContact O-N 3.25Å; N340-L342 PolarHBondContact O-N 3.44Å; N340-L342 VanDerWaalsContact O-N 3.08Å; N340-L343 WeakPolarHBondContact O-CB 3.32Å; N340-L343 PolarHBondContact O-N 3.29Å; N340-G346 VanDerWaalsContact CB-O 3.29Å; N340-G346 WeakPolarHBondContact CB-O 3.38Å; N340-G346 WeakPolarHBondContact O-CA 3.49Å
341	R	95.9	Very high	96.5	Very high	44 Å²	44	38.3 Å²	38.3	17%	0.166	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-57.3	-22.6	174.2	-66.2	-177.6	-61.1	158.6	8.3	113.5	D83 F84 Q85 E299 T334 I338 S339 L343	D83-R341 WeakPolarHBondContact CB-O 3.23Å; F84-R341 CarbonylContact C-O 3.32Å; F84-R341 WeakPolarHBondContact CA-O 3.41Å; F84-R341 HydrophobicContact CB-CB 4.47Å; F84-R341 PolarHBondContact N-O 3.34Å; Q85-R341 HydrophobicContact CG-CB 4.44Å; Q85-R341 WeakPolarHBondContact CG-O 3.45Å; Q85-R341 PolarHBondContact N-O 2.82Å; Q85-R341 VanDerWaalsContact N-O 3.11Å; E299-R341 WeakPolarHBondContact OE1-CD 3.43Å; E299-R341 IonicContact OE1-CZ 3.48Å; E299-R341 IonicContact OE1-NE 3.32Å; E299-R341 IonicContact OE1-NH1 2.7Å; E299-R341 PolarHBondContact OE1-NH1 2.78Å; T334-R341 HydrophobicContact CG2-CG 4.06Å; I338-R341 PolarHBondContact O-NE 3.21Å; S339-R341 PolarHBondContact O-N 2.94Å; S339-R341 VanDerWaalsContact O-N 3.17Å; R341-L343 VanDerWaalsContact C-N 3.3Å
342	L	96.1	Very high	96.4	Very high	106 Å²	106	38.6 Å²	38.6	56%	0.555	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-85.8	-1.8	179	-55	177.6	0	0	0	113.2	Q85 S339 N340	Q85-L342 HydrophobicContact CG-CD2 3.9Å; S339-L342 WeakPolarHBondContact O-CB 3.38Å; S339-L342 PolarHBondContact O-N 3.5Å; S339-L342 VanDerWaalsContact O-N 3.07Å; N340-L342 PolarHBondContact O-N 3.44Å; N340-L342 VanDerWaalsContact O-N 3.08Å
343	L	97.2	Very high	96.3	Very high	61 Å²	61	42 Å²	42	32%	0.319	23%	0.225	S	C	.	.	S	Bend	trans	-103.3	145.9	-176.3	-58.7	178.2	0	0	0	111.1	N340 R341 D345 G346	N340-L343 WeakPolarHBondContact O-CB 3.32Å; N340-L343 PolarHBondContact O-N 3.29Å; R341-L343 VanDerWaalsContact C-N 3.3Å; L343-D345 VanDerWaalsContact C-N 3.32Å; L343-D345 PolarHBondContact O-N 3.27Å; L343-G346 PolarHBondContact O-N 2.82Å; L343-G346 VanDerWaalsContact O-N 3.08Å
344	P	95.4	Very high	96.2	Very high	81 Å²	81	43.3 Å²	43.3	53%	0.526	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.7	-176.8	26.6	-35	0	0	0	114.8	N82	N82-P344 WeakPolarHBondContact O-CA 3.39Å; N82-P344 VanDerWaalsContact O-CB 3.23Å; N82-P344 WeakPolarHBondContact O-CB 3.39Å
345	D	96	Very high	96.3	Very high	37 Å²	37	45.8 Å²	45.8	20%	0.198	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7.7	174.6	70.2	-26.1	0	0	0	112.4	F84 F92 L343 G347 L348	F84-D345 VanDerWaalsContact CE2-C 3.47Å; F92-D345 HydrophobicContact CD2-CB 3.72Å; F92-D345 HydrophobicContact CE2-CB 3.93Å; L343-D345 VanDerWaalsContact C-N 3.32Å; L343-D345 PolarHBondContact O-N 3.27Å; D345-G347 PolarHBondContact O-N 2.95Å; D345-G347 PolarHBondContact OD1-N 3.44Å; D345-L348 WeakPolarHBondContact O-CB 3.49Å; D345-L348 PolarHBondContact O-N 3.07Å
346	G	97.4	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	22.4	-174.7	0	0	0	0	0	112.8	F84 S333 N340 L343 L348	F84-G346 VanDerWaalsContact CD2-CA 3.48Å; F84-G346 VanDerWaalsContact CD2-N 3.31Å; S333-G346 WeakPolarHBondContact CB-O 3.33Å; S333-G346 VanDerWaalsContact OG-C 3.3Å; S333-G346 VanDerWaalsContact OG-CA 3.31Å; S333-G346 WeakPolarHBondContact OG-CA 3.4Å; S333-G346 PolarHBondContact OG-O 2.99Å; N340-G346 VanDerWaalsContact CB-O 3.29Å; N340-G346 WeakPolarHBondContact CB-O 3.38Å; N340-G346 WeakPolarHBondContact O-CA 3.49Å; L343-G346 PolarHBondContact O-N 2.82Å; L343-G346 VanDerWaalsContact O-N 3.08Å; G346-L348 PolarHBondContact O-N 3.06Å
347	G	97.4	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	12.8	-176.3	0	0	0	0	0	114.7	D345 L349 N350 H351	D345-G347 PolarHBondContact O-N 2.95Å; D345-G347 PolarHBondContact OD1-N 3.44Å; G347-L349 VanDerWaalsContact C-N 3.32Å; G347-L349 PolarHBondContact O-N 3.1Å; G347-N350 WeakPolarHBondContact O-CB 3.49Å; G347-N350 PolarHBondContact O-N 3.47Å; G347-H351 PolarHBondContact O-CD2 2.9Å
348	L	97.8	Very high	96.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62	-42.7	-173.7	-77.3	165.8	0	0	0	111.2	F84 F92 L329 D345 G346 N350 H351 F352 L357	F84-L348 HydrophobicContact CE1-CD1 4.12Å; F84-L348 HydrophobicContact CZ-CD1 4Å; F92-L348 HydrophobicContact CD1-CD1 4.23Å; F92-L348 HydrophobicContact CE1-CD1 3.41Å; F92-L348 VanDerWaalsContact CE1-CD1 3.41Å; F92-L348 HydrophobicContact CZ-CB 4.24Å; F92-L348 HydrophobicContact CZ-CD1 3.65Å; L329-L348 HydrophobicContact CB-CD1 4.06Å; D345-L348 WeakPolarHBondContact O-CB 3.49Å; D345-L348 PolarHBondContact O-N 3.07Å; G346-L348 PolarHBondContact O-N 3.06Å; L348-N350 PolarHBondContact O-N 2.9Å; L348-H351 PolarHBondContact O-N 3.4Å; L348-F352 HydrophobicContact CD2-CD2 4.41Å; L348-F352 WeakPolarHBondContact O-CD2 3.43Å; L348-F352 PolarHBondContact O-N 3.25Å; L348-L357 HydrophobicContact CB-CD1 3.95Å; L348-L357 HydrophobicContact CD2-CD1 4.31Å; L348-L357 HydrophobicContact CD2-CD2 4.16Å
349	L	96.3	Very high	96.6	Very high	73 Å²	73	39.2 Å²	39.2	38%	0.382	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-78	-4.3	-177.2	-57.1	-178.1	0	0	0	113.6	F92 F95 G347 H351 F352 M354 L357	F92-L349 HydrophobicContact CE2-CD1 4.36Å; F92-L349 HydrophobicContact CE2-CG 4.39Å; F95-L349 HydrophobicContact CE1-CD1 4.29Å; G347-L349 VanDerWaalsContact C-N 3.32Å; G347-L349 PolarHBondContact O-N 3.1Å; L349-H351 VanDerWaalsContact C-N 3.35Å; L349-F352 WeakPolarHBondContact CA-O 3.48Å; L349-M354 HydrophobicContact CD1-CE 4.48Å; L349-M354 HydrophobicContact CD2-CE 4.05Å; L349-L357 HydrophobicContact CD2-CD1 4.44Å
350	N	95.8	Very high	96.7	Very high	106 Å²	106	36.6 Å²	36.6	57%	0.567	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-78.8	-22.4	171.6	-62.1	-30.2	0	0	0	112.3	G347 L348	G347-N350 WeakPolarHBondContact O-CB 3.49Å; G347-N350 PolarHBondContact O-N 3.47Å; L348-N350 PolarHBondContact O-N 2.9Å
351	H	93.6	Very high	96.8	Very high	69 Å²	69	36.3 Å²	36.3	32%	0.319	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-26.6	-169.8	-60.9	-75.9	0	0	0	113.3	T336 G347 L348 L349	T336-H351 HydrophobicContact CG2-CB 3.91Å; T336-H351 WeakPolarHBondContact CG2-CD2 3.39Å; T336-H351 VanDerWaalsContact CG2-CG 3.42Å; G347-H351 PolarHBondContact O-CD2 2.9Å; L348-H351 PolarHBondContact O-N 3.4Å; L349-H351 VanDerWaalsContact C-N 3.35Å
352	F	96.4	Very high	96.9	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.048	19%	0.185	C	C	.	.	S	Bend	trans	-126.7	149.7	-179.7	-48.7	-77.3	0	0	0	109.9	Y332 T336 L348 L349 L357 F434 L437 E438	Y332-F352 HydrophobicContact CD1-CE1 4.23Å; Y332-F352 HydrophobicContact CD1-CE2 4.15Å; Y332-F352 AromaticContact CD1-CZ 3.88Å; Y332-F352 HydrophobicContact CD1-CZ 3.88Å; T336-F352 HydrophobicContact CG2-CE2 4.49Å; T336-F352 WeakPolarHBondContact OG1-CE2 3.48Å; T336-F352 WeakPolarHBondContact OG1-CZ 3.33Å; L348-F352 HydrophobicContact CD2-CD2 4.41Å; L348-F352 WeakPolarHBondContact O-CD2 3.43Å; L348-F352 PolarHBondContact O-N 3.25Å; L349-F352 WeakPolarHBondContact CA-O 3.48Å; F352-L357 HydrophobicContact CB-CD1 4.04Å; F352-L357 HydrophobicContact CB-CD2 3.75Å; F352-L357 HydrophobicContact CB-CG 3.68Å; F352-L357 HydrophobicContact CD2-CD2 3.84Å; F352-L357 HydrophobicContact CG-CD2 3.79Å; F352-L357 HydrophobicContact CG-CG 4.3Å; F352-F434 HydrophobicContact CE1-CB 4.35Å; F352-F434 HydrophobicContact CZ-CB 4.27Å; F352-F434 HydrophobicContact CZ-CD2 4.27Å; F352-L437 HydrophobicContact CD1-CB 4.32Å; F352-L437 HydrophobicContact CE1-CB 3.91Å; F352-E438 HydrophobicContact CE1-CG 3.45Å; F352-E438 VanDerWaalsContact CE1-CG 3.45Å; F352-E438 HydrophobicContact CE2-CG 4.49Å; F352-E438 HydrophobicContact CZ-CG 3.43Å; F352-E438 VanDerWaalsContact CZ-CG 3.43Å
353	N	95.2	Very high	97	Very high	75 Å²	75	29.4 Å²	29.4	40%	0.401	16%	0.159	S	C	.	.			trans	-83.3	160.6	164.4	67.7	52.3	0	0	0	110	T355 D356 L357	N353-T355 VanDerWaalsContact C-N 3.32Å; N353-T355 PolarHBondContact O-N 3.18Å; N353-T355 PolarHBondContact OD1-N 3.19Å; N353-D356 VanDerWaalsContact CG-CG 3.47Å; N353-D356 VanDerWaalsContact ND2-CG 3.29Å; N353-D356 PolarHBondContact ND2-OD2 2.86Å; N353-D356 PolarHBondContact O-N 2.89Å; N353-D356 WeakPolarHBondContact OD1-CB 3.02Å; N353-D356 PolarHBondContact OD1-N 3.43Å; N353-D356 PolarHBondContact OD1-OD1 3.43Å; N353-D356 PolarHBondContact OD1-OD2 3.42Å; N353-L357 PolarHBondContact O-N 3.15Å
354	M	97.6	Very high	97.1	Very high	27 Å²	27	26.5 Å²	26.5	13%	0.133	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-41.7	-177.2	-172.8	62.5	79	0	0	112.1	F95 F96 N99 L349 D356 L357 I358	F95-M354 HydrophobicContact CD1-CE 3.81Å; F95-M354 HydrophobicContact CE1-CE 3.42Å; F95-M354 VanDerWaalsContact CE1-CE 3.42Å; F95-M354 HydrophobicContact CZ-CE 4.33Å; F96-M354 HydrophobicContact CD2-CE 4.44Å; F96-M354 HydrophobicContact CD2-SD 3.44Å; F96-M354 WeakPolarHBondContact CD2-SD 3.26Å; F96-M354 HydrophobicContact CE2-SD 3.83Å; F96-M354 HydrophobicContact CG-SD 4.34Å; N99-M354 HydrophobicContact CB-CE 4.38Å; N99-M354 HydrophobicContact CB-CG 3.84Å; N99-M354 HydrophobicContact CB-SD 4.33Å; L349-M354 HydrophobicContact CD1-CE 4.48Å; L349-M354 HydrophobicContact CD2-CE 4.05Å; M354-D356 PolarHBondContact O-N 3.45Å; M354-L357 PolarHBondContact O-N 3.01Å; M354-I358 HydrophobicContact CG-CD1 3.72Å; M354-I358 HydrophobicContact CG-CG1 4.41Å; M354-I358 WeakPolarHBondContact O-CG1 3.27Å; M354-I358 PolarHBondContact O-N 2.86Å; M354-I358 HydrophobicContact SD-CD1 4.23Å; M354-I358 HydrophobicContact SD-CG1 4.46Å
355	T	97.6	Very high	97.3	Very high	55 Å²	55	23.3 Å²	23.3	34%	0.337	12%	0.122	S	C	.	.	H	α-helix	trans	-58	-47.6	178.5	-53.2	0	0	0	0	111.8	Y104 E109 N353 L357 I358 T359	Y104-T355 HydrophobicContact CD2-CG2 4.04Å; Y104-T355 HydrophobicContact CE2-CG2 3.81Å; E109-T355 HydrophobicContact CG-CG2 3.8Å; E109-T355 WeakPolarHBondContact OE1-CG2 3.39Å; N353-T355 VanDerWaalsContact C-N 3.32Å; N353-T355 PolarHBondContact O-N 3.18Å; N353-T355 PolarHBondContact OD1-N 3.19Å; T355-L357 VanDerWaalsContact C-N 3.32Å; T355-L357 PolarHBondContact O-N 3.2Å; T355-I358 PolarHBondContact O-N 3.32Å; T355-T359 WeakPolarHBondContact O-CB 3.18Å; T355-T359 PolarHBondContact O-N 2.98Å; T355-T359 PolarHBondContact O-OG1 3.31Å; T355-T359 VanDerWaalsContact O-OG1 3.04Å
356	D	96.3	Very high	97.4	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.064	12%	0.116	C	C	.	.	H	α-helix	trans	-58.3	-46.6	179	-70.4	-23.9	0	0	0	110.6	R160 K161 N353 M354 T359 Q360	R160-D356 IonicContact CZ-OD1 3.95Å; R160-D356 IonicContact NH2-OD1 3.95Å; R160-D356 PolarHBondContact NH2-OD1 3.24Å; K161-D356 IonicContact NZ-OD1 2.64Å; K161-D356 IonicContact NZ-OD2 3.24Å; K161-D356 PolarHBondContact NZ-OD2 2.92Å; N353-D356 VanDerWaalsContact CG-CG 3.47Å; N353-D356 VanDerWaalsContact ND2-CG 3.29Å; N353-D356 PolarHBondContact ND2-OD2 2.86Å; N353-D356 PolarHBondContact O-N 2.89Å; N353-D356 WeakPolarHBondContact OD1-CB 3.02Å; N353-D356 PolarHBondContact OD1-N 3.43Å; N353-D356 PolarHBondContact OD1-OD1 3.43Å; N353-D356 PolarHBondContact OD1-OD2 3.42Å; M354-D356 PolarHBondContact O-N 3.45Å; D356-T359 PolarHBondContact O-N 3.27Å; D356-Q360 WeakPolarHBondContact O-CG 3.24Å; D356-Q360 PolarHBondContact O-N 2.93Å
357	L	98	Very high	97.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-44.8	-179.7	-68.5	173	0	0	0	111.7	F96 L329 Y332 L348 L349 F352 N353 M354 T355 Q360 V361	F96-L357 HydrophobicContact CE2-CB 3.92Å; L329-L357 HydrophobicContact CD2-CB 3.88Å; L329-L357 HydrophobicContact CD2-CD1 4.34Å; L329-L357 HydrophobicContact CD2-CD2 3.89Å; L329-L357 HydrophobicContact CD2-CG 4.25Å; Y332-L357 HydrophobicContact CD1-CD2 4.31Å; Y332-L357 HydrophobicContact CG-CD2 4.16Å; L348-L357 HydrophobicContact CB-CD1 3.95Å; L348-L357 HydrophobicContact CD2-CD1 4.31Å; L348-L357 HydrophobicContact CD2-CD2 4.16Å; L349-L357 HydrophobicContact CD2-CD1 4.44Å; F352-L357 HydrophobicContact CB-CD1 4.04Å; F352-L357 HydrophobicContact CB-CD2 3.75Å; F352-L357 HydrophobicContact CB-CG 3.68Å; F352-L357 HydrophobicContact CD2-CD2 3.84Å; F352-L357 HydrophobicContact CG-CD2 3.79Å; F352-L357 HydrophobicContact CG-CG 4.3Å; N353-L357 PolarHBondContact O-N 3.15Å; M354-L357 PolarHBondContact O-N 3.01Å; T355-L357 VanDerWaalsContact C-N 3.32Å; T355-L357 PolarHBondContact O-N 3.2Å; L357-Q360 PolarHBondContact O-N 2.81Å; L357-V361 PolarHBondContact O-N 3.11Å
358	I	98.7	Very high	97.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-44.9	176.3	-65	165.7	0	0	0	110.4	F96 N99 W100 Y104 M354 T355 Q360 V361 M362	F96-I358 HydrophobicContact CD2-CG1 4.41Å; F96-I358 HydrophobicContact CE1-CG1 3.99Å; F96-I358 HydrophobicContact CE2-CG1 3.59Å; F96-I358 HydrophobicContact CZ-CB 4.17Å; F96-I358 HydrophobicContact CZ-CG1 3.36Å; N99-I358 HydrophobicContact CB-CD1 4.47Å; W100-I358 HydrophobicContact CB-CD1 3.93Å; W100-I358 HydrophobicContact CB-CG1 4.28Å; W100-I358 HydrophobicContact CB-CG2 4.38Å; W100-I358 HydrophobicContact CD2-CG2 3.96Å; W100-I358 HydrophobicContact CG-CD1 4.37Å; W100-I358 HydrophobicContact CG-CG1 4.37Å; W100-I358 HydrophobicContact CG-CG2 3.66Å; Y104-I358 HydrophobicContact CD1-CG2 3.61Å; Y104-I358 HydrophobicContact CD2-CB 3.75Å; Y104-I358 HydrophobicContact CD2-CD1 4.02Å; Y104-I358 HydrophobicContact CD2-CG2 3.56Å; Y104-I358 HydrophobicContact CE1-CG2 3.67Å; Y104-I358 HydrophobicContact CE2-CB 3.81Å; Y104-I358 HydrophobicContact CE2-CG2 3.61Å; Y104-I358 HydrophobicContact CG-CB 4.19Å; Y104-I358 HydrophobicContact CG-CD1 4.12Å; Y104-I358 HydrophobicContact CG-CG2 3.55Å; M354-I358 HydrophobicContact CG-CD1 3.72Å; M354-I358 HydrophobicContact CG-CG1 4.41Å; M354-I358 WeakPolarHBondContact O-CG1 3.27Å; M354-I358 PolarHBondContact O-N 2.86Å; M354-I358 HydrophobicContact SD-CD1 4.23Å; M354-I358 HydrophobicContact SD-CG1 4.46Å; T355-I358 PolarHBondContact O-N 3.32Å; I358-Q360 PolarHBondContact O-N 3.33Å; I358-V361 WeakPolarHBondContact O-CB 3.06Å; I358-V361 PolarHBondContact O-N 3.43Å; I358-M362 HydrophobicContact CG2-CG 4.07Å; I358-M362 WeakPolarHBondContact O-CG 3.34Å; I358-M362 PolarHBondContact O-N 3.5Å
359	T	98.3	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-56.7	-39.1	176.8	-66.1	0	0	0	0	111.4	Y104 E109 L113 T355 D356 V361 M362 I363	Y104-T359 WeakPolarHBondContact CE2-OG1 3.45Å; Y104-T359 WeakPolarHBondContact OH-CA 3.34Å; Y104-T359 PolarHBondContact OH-OG1 3.36Å; E109-T359 WeakPolarHBondContact CG-OG1 3.35Å; E109-T359 PolarHBondContact OE2-OG1 3.01Å; L113-T359 HydrophobicContact CD1-CG2 4.32Å; T355-T359 WeakPolarHBondContact O-CB 3.18Å; T355-T359 PolarHBondContact O-N 2.98Å; T355-T359 PolarHBondContact O-OG1 3.31Å; T355-T359 VanDerWaalsContact O-OG1 3.04Å; D356-T359 PolarHBondContact O-N 3.27Å; T359-V361 PolarHBondContact O-N 2.74Å; T359-M362 WeakPolarHBondContact O-CB 3.39Å; T359-M362 PolarHBondContact O-N 2.88Å; T359-I363 HydrophobicContact CG2-CD1 3.87Å; T359-I363 HydrophobicContact CG2-CG1 4.48Å; T359-I363 VanDerWaalsContact O-CD1 3.32Å; T359-I363 WeakPolarHBondContact O-CD1 3.37Å; T359-I363 VanDerWaalsContact O-CG1 3.25Å; T359-I363 WeakPolarHBondContact O-CG1 3.2Å; T359-I363 PolarHBondContact O-N 2.89Å
360	Q	97.9	Very high	97.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-63.2	-42.8	175	-61.8	-55.1	2.8	0	0	112.9	S155 D158 M328 Y332 D356 L357 I358 M362 I363 L437	S155-Q360 PolarHBondContact OG-OE1 2.96Å; D158-Q360 VanDerWaalsContact OD1-CD 3.22Å; D158-Q360 PolarHBondContact OD1-NE2 3.16Å; D158-Q360 PolarHBondContact OD1-OE1 3.45Å; M328-Q360 HydrophobicContact CE-CB 4.37Å; M328-Q360 WeakPolarHBondContact CE-O 3.32Å; Y332-Q360 HydrophobicContact CE1-CG 4.4Å; Y332-Q360 HydrophobicContact CE2-CB 4.3Å; Y332-Q360 WeakPolarHBondContact OH-CG 3.42Å; D356-Q360 WeakPolarHBondContact O-CG 3.24Å; D356-Q360 PolarHBondContact O-N 2.93Å; L357-Q360 PolarHBondContact O-N 2.81Å; I358-Q360 PolarHBondContact O-N 3.33Å; Q360-M362 VanDerWaalsContact C-N 3.33Å; Q360-M362 PolarHBondContact O-N 3.45Å; Q360-I363 PolarHBondContact O-N 2.9Å; Q360-L437 HydrophobicContact CG-CD1 4.37Å
361	V	98.6	Very high	97.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-41.5	175	-178.8	0	0	0	0	110.8	F96 W100 L324 A325 M328 L357 I358 T359 I363 Y364 W365	F96-V361 HydrophobicContact CZ-CG2 4.18Å; W100-V361 HydrophobicContact CH2-CB 4.31Å; W100-V361 HydrophobicContact CH2-CG1 3.44Å; W100-V361 VanDerWaalsContact CH2-CG1 3.44Å; W100-V361 HydrophobicContact CZ2-CG1 4.21Å; W100-V361 HydrophobicContact CZ3-CG1 3.87Å; L324-V361 HydrophobicContact CD2-CG1 3.98Å; L324-V361 HydrophobicContact CG-CG1 4.06Å; A325-V361 HydrophobicContact CB-CG1 4.11Å; A325-V361 HydrophobicContact CB-CG2 4.05Å; M328-V361 HydrophobicContact SD-CG2 4.33Å; L357-V361 PolarHBondContact O-N 3.11Å; I358-V361 WeakPolarHBondContact O-CB 3.06Å; I358-V361 PolarHBondContact O-N 3.43Å; T359-V361 PolarHBondContact O-N 2.74Å; V361-I363 VanDerWaalsContact C-N 3.33Å; V361-I363 PolarHBondContact O-N 3Å; V361-Y364 PolarHBondContact O-N 3.27Å; V361-Y364 VanDerWaalsContact O-N 3.1Å; V361-W365 WeakPolarHBondContact O-CB 3.44Å; V361-W365 PolarHBondContact O-N 2.88Å
362	M	98.5	Very high	97.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-40.5	178.7	-72.5	-67.7	-78.2	0	0	112.6	L62 L65 W100 Y104 W106 I358 T359 Q360 Y364 W365 L366	L62-M362 HydrophobicContact CD2-CE 3.94Å; L65-M362 HydrophobicContact CD2-CE 3.75Å; L65-M362 HydrophobicContact CD2-SD 3.34Å; L65-M362 WeakPolarHBondContact CD2-SD 3.44Å; W100-M362 HydrophobicContact CZ2-CG 4.17Å; W100-M362 HydrophobicContact CZ2-SD 3.47Å; W100-M362 WeakPolarHBondContact CZ2-SD 3.39Å; W100-M362 PolarHBondContact NE1-SD 3.4Å; W100-M362 VanDerWaalsContact NE1-SD 3.41Å; Y104-M362 HydrophobicContact CE1-CE 4.28Å; Y104-M362 HydrophobicContact CE1-CG 3.84Å; Y104-M362 HydrophobicContact CE1-SD 4.44Å; W106-M362 HydrophobicContact CB-CE 4.08Å; W106-M362 HydrophobicContact CD2-CE 3.53Å; W106-M362 HydrophobicContact CE3-CB 3.88Å; W106-M362 HydrophobicContact CE3-CE 3.35Å; W106-M362 HydrophobicContact CE3-CG 3.97Å; W106-M362 HydrophobicContact CG-CE 3.84Å; W106-M362 HydrophobicContact CH2-CB 4.38Å; W106-M362 HydrophobicContact CZ3-CB 3.5Å; W106-M362 HydrophobicContact CZ3-CE 4.09Å; W106-M362 HydrophobicContact CZ3-CG 4.12Å; I358-M362 HydrophobicContact CG2-CG 4.07Å; I358-M362 WeakPolarHBondContact O-CG 3.34Å; I358-M362 PolarHBondContact O-N 3.5Å; T359-M362 WeakPolarHBondContact O-CB 3.39Å; T359-M362 PolarHBondContact O-N 2.88Å; Q360-M362 VanDerWaalsContact C-N 3.33Å; Q360-M362 PolarHBondContact O-N 3.45Å; M362-Y364 PolarHBondContact O-N 2.9Å; M362-W365 PolarHBondContact O-N 3.1Å; M362-L366 HydrophobicContact CB-CD1 4.27Å; M362-L366 HydrophobicContact CE-CD1 3.62Å; M362-L366 HydrophobicContact CE-CD2 4.08Å; M362-L366 HydrophobicContact CE-CG 3.97Å; M362-L366 WeakPolarHBondContact O-CB 3.35Å; M362-L366 WeakPolarHBondContact O-CG 3.41Å; M362-L366 PolarHBondContact O-N 2.9Å
363	I	98.1	Very high	97.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-23.2	178.7	-68.3	156.8	0	0	0	112.2	M157 W194 T359 Q360 V361 P367	M157-I363 HydrophobicContact CB-CD1 3.5Å; M157-I363 HydrophobicContact CG-CD1 3.53Å; M157-I363 HydrophobicContact CG-CG1 4.18Å; W194-I363 HydrophobicContact CH2-CB 4.49Å; W194-I363 HydrophobicContact CH2-CG1 4.12Å; W194-I363 HydrophobicContact CH2-CG2 4.3Å; W194-I363 HydrophobicContact CZ3-CG1 4.37Å; W194-I363 HydrophobicContact CZ3-CG2 3.99Å; T359-I363 HydrophobicContact CG2-CD1 3.87Å; T359-I363 HydrophobicContact CG2-CG1 4.48Å; T359-I363 VanDerWaalsContact O-CD1 3.32Å; T359-I363 WeakPolarHBondContact O-CD1 3.37Å; T359-I363 VanDerWaalsContact O-CG1 3.25Å; T359-I363 WeakPolarHBondContact O-CG1 3.2Å; T359-I363 PolarHBondContact O-N 2.89Å; Q360-I363 PolarHBondContact O-N 2.9Å; V361-I363 VanDerWaalsContact C-N 3.33Å; V361-I363 PolarHBondContact O-N 3Å; I363-P367 WeakPolarHBondContact O-CD 3.36Å; I363-P367 WeakPolarHBondContact O-CG 3.35Å
364	Y	98.7	Very high	97.9	Very high	1 Å²	1	11.3 Å²	11.3	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-91.5	-39.3	171.4	-81.8	-102	0	0	0	112.8	P153 G154 Y192 M328 V361 M362 G368 C369 I370	P153-Y364 WeakPolarHBondContact CA-OH 3.39Å; P153-Y364 WeakPolarHBondContact O-CE2 3.31Å; P153-Y364 PolarHBondContact O-OH 2.77Å; G154-Y364 WeakPolarHBondContact O-CE2 3.28Å; G154-Y364 PolarHBondContact O-OH 2.83Å; Y192-Y364 HydrophobicContact CD1-CE1 4.29Å; Y192-Y364 VanDerWaalsContact CD1-OH 3.25Å; Y192-Y364 WeakPolarHBondContact CD1-OH 3.45Å; Y192-Y364 WeakPolarHBondContact CE1-OH 3.34Å; M328-Y364 HydrophobicContact CE-CD2 3.47Å; M328-Y364 VanDerWaalsContact CE-CD2 3.47Å; M328-Y364 HydrophobicContact CE-CE2 3.83Å; M328-Y364 HydrophobicContact CE-CG 4.03Å; M328-Y364 HydrophobicContact SD-CD2 4.1Å; M328-Y364 HydrophobicContact SD-CG 4.03Å; V361-Y364 PolarHBondContact O-N 3.27Å; V361-Y364 VanDerWaalsContact O-N 3.1Å; M362-Y364 PolarHBondContact O-N 2.9Å; Y364-G368 WeakPolarHBondContact O-CA 3.38Å; Y364-G368 PolarHBondContact O-N 3.33Å; Y364-C369 PolarHBondContact O-N 3.07Å; Y364-I370 HydrophobicContact CD1-CB 4.3Å; Y364-I370 HydrophobicContact CD1-CD1 3.79Å; Y364-I370 HydrophobicContact CE1-CD1 4.14Å
365	W	98.5	Very high	97.9	Very high	14 Å²	14	13.7 Å²	13.7	5%	0.053	8%	0.082	C	C	.	.	H	α-helix	trans	-65.1	-52.9	-176.8	177.9	-98.6	0	0	0	111.9	L65 R318 A321 L324 V361 M362 G368	L65-W365 HydrophobicContact CD1-CD2 4.22Å; L65-W365 HydrophobicContact CD1-CG 4.3Å; L65-W365 HydrophobicContact CD1-CZ2 4.29Å; R318-W365 PolarHBondContact NH1-O 3.45Å; R318-W365 WeakPolarHBondContact O-CH2 3.29Å; R318-W365 VanDerWaalsContact O-CZ3 3.27Å; R318-W365 WeakPolarHBondContact O-CZ3 3.12Å; A321-W365 VanDerWaalsContact CA-CZ3 3.45Å; A321-W365 HydrophobicContact CB-CD2 4.09Å; A321-W365 HydrophobicContact CB-CE3 3.81Å; A321-W365 HydrophobicContact CB-CH2 3.93Å; A321-W365 HydrophobicContact CB-CZ2 4.19Å; A321-W365 HydrophobicContact CB-CZ3 3.73Å; A321-W365 VanDerWaalsContact N-CZ3 3.31Å; L324-W365 HydrophobicContact CD2-CB 3.92Å; L324-W365 HydrophobicContact CD2-CE3 4.02Å; V361-W365 WeakPolarHBondContact O-CB 3.44Å; V361-W365 PolarHBondContact O-N 2.88Å; M362-W365 PolarHBondContact O-N 3.1Å; W365-G368 PolarHBondContact O-N 3.3Å; W365-G368 VanDerWaalsContact O-N 3.15Å
366	L	98.2	Very high	97.8	Very high	13 Å²	13	11.3 Å²	11.3	7%	0.068	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-55	-171.4	-68.3	168.3	0	0	0	112.9	I57 L62 W106 M362 G368	I57-L366 HydrophobicContact CD1-CB 4.04Å; I57-L366 HydrophobicContact CD1-CD1 3.94Å; I57-L366 HydrophobicContact CD1-CD2 4.46Å; I57-L366 HydrophobicContact CD1-CG 4.37Å; I57-L366 HydrophobicContact CG1-CD1 3.72Å; I57-L366 HydrophobicContact CG1-CD2 4.47Å; I57-L366 HydrophobicContact CG2-CD1 4.35Å; I57-L366 HydrophobicContact CG2-CD2 3.67Å; L62-L366 HydrophobicContact CD2-CD2 4.3Å; W106-L366 HydrophobicContact CD2-CD1 3.97Å; W106-L366 HydrophobicContact CE3-CD1 4.07Å; W106-L366 HydrophobicContact CH2-CD1 3.4Å; W106-L366 HydrophobicContact CZ2-CD1 3.27Å; W106-L366 HydrophobicContact CZ3-CD1 3.81Å; M362-L366 HydrophobicContact CB-CD1 4.27Å; M362-L366 HydrophobicContact CE-CD1 3.62Å; M362-L366 HydrophobicContact CE-CD2 4.08Å; M362-L366 HydrophobicContact CE-CG 3.97Å; M362-L366 WeakPolarHBondContact O-CB 3.35Å; M362-L366 WeakPolarHBondContact O-CG 3.41Å; M362-L366 PolarHBondContact O-N 2.9Å; L366-G368 PolarHBondContact O-N 3.33Å
367	P	97.1	Very high	97.8	Very high	41 Å²	41	12 Å²	12	27%	0.266	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.1	175.5	30.5	-35.4	0	0	0	113.3	G193 I363 C369	G193-P367 WeakPolarHBondContact O-CB 3.4Å; G193-P367 WeakPolarHBondContact O-CG 3.2Å; I363-P367 WeakPolarHBondContact O-CD 3.36Å; I363-P367 WeakPolarHBondContact O-CG 3.35Å; P367-C369 HydrophobicContact CG-CB 4.35Å
368	G	97.5	Very high	97.7	Very high	20 Å²	20	13.3 Å²	13.3	21%	0.206	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	34.8	179.1	0	0	0	0	0	115	Y364 W365 L366	Y364-G368 WeakPolarHBondContact O-CA 3.38Å; Y364-G368 PolarHBondContact O-N 3.33Å; W365-G368 PolarHBondContact O-N 3.3Å; W365-G368 VanDerWaalsContact O-N 3.15Å; L366-G368 PolarHBondContact O-N 3.33Å
369	C	98.1	Very high	97.6	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.027	8%	0.076	C	C	.	.			trans	-91.3	-1.8	-167.1	70.1	0	0	0	0	114.2	G191 G193 Y364 P367 G371 S372 S373	G191-C369 WeakPolarHBondContact O-CB 3.11Å; G193-C369 PolarHBondContact N-SG 3.13Å; Y364-C369 PolarHBondContact O-N 3.07Å; P367-C369 HydrophobicContact CG-CB 4.35Å; C369-G371 VanDerWaalsContact C-N 3.32Å; C369-G371 PolarHBondContact O-N 3.15Å; C369-S372 PolarHBondContact O-N 2.91Å; C369-S372 VanDerWaalsContact O-N 3.16Å; C369-S372 PolarHBondContact O-OG 3.27Å; C369-S373 WeakPolarHBondContact O-CB 3.4Å; C369-S373 PolarHBondContact O-N 3.46Å; C369-S373 PolarHBondContact O-OG 3.36Å
370	I	98.1	Very high	97.4	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-58.5	-40.6	-175.4	-170.4	63.3	0	0	0	113.2	L317 R318 L324 Y364 S373 M374	L317-I370 HydrophobicContact CB-CG1 3.99Å; L317-I370 HydrophobicContact CB-CG2 3.92Å; L317-I370 HydrophobicContact CD1-CD1 4.47Å; L317-I370 HydrophobicContact CD1-CG1 3.83Å; R318-I370 HydrophobicContact CB-CG2 4.41Å; L324-I370 HydrophobicContact CD1-CB 3.84Å; L324-I370 HydrophobicContact CD1-CD1 3.68Å; L324-I370 HydrophobicContact CD1-CG1 3.53Å; L324-I370 HydrophobicContact CD1-CG2 4.28Å; Y364-I370 HydrophobicContact CD1-CB 4.3Å; Y364-I370 HydrophobicContact CD1-CD1 3.79Å; Y364-I370 HydrophobicContact CE1-CD1 4.14Å; I370-S373 PolarHBondContact O-OG 3.42Å; I370-M374 HydrophobicContact CD1-CE 3.74Å; I370-M374 HydrophobicContact CG1-CE 3.82Å; I370-M374 VanDerWaalsContact O-CG 3.24Å; I370-M374 WeakPolarHBondContact O-CG 3.23Å; I370-M374 PolarHBondContact O-N 3.31Å
371	G	97.1	Very high	96.9	Very high	20 Å²	20	20.3 Å²	20.3	21%	0.206	11%	0.112	C	C	.	.	H	α-helix	trans	-68.2	-40.2	178	0	0	0	0	0	112.7	C369	C369-G371 VanDerWaalsContact C-N 3.32Å; C369-G371 PolarHBondContact O-N 3.15Å
372	S	97.7	Very high	96.4	Very high	20 Å²	20	25.7 Å²	25.7	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-74.4	-32.3	178.3	50.8	0	0	0	0	113	G191 S197 C369 M374 R375	G191-S372 CarbonylContact O-C 3.57Å; G191-S372 WeakPolarHBondContact O-CB 3.49Å; G191-S372 PolarHBondContact O-OG 3.28Å; S197-S372 VanDerWaalsContact OG-CB 3.25Å; S197-S372 WeakPolarHBondContact OG-CB 3.34Å; S197-S372 PolarHBondContact OG-OG 2.98Å; S197-S372 VanDerWaalsContact OG-OG 3.06Å; C369-S372 PolarHBondContact O-N 2.91Å; C369-S372 VanDerWaalsContact O-N 3.16Å; C369-S372 PolarHBondContact O-OG 3.27Å; S372-M374 VanDerWaalsContact C-N 3.29Å; S372-M374 PolarHBondContact O-N 2.99Å; S372-R375 PolarHBondContact O-N 3.41Å
373	S	98.2	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-37.5	-178.7	74.4	0	0	0	0	111.1	G191 Y192 C369 I370 R375 I376	G191-S373 WeakPolarHBondContact O-CA 3.2Å; G191-S373 PolarHBondContact O-N 3.05Å; Y192-S373 VanDerWaalsContact CE2-CA 3.42Å; Y192-S373 WeakPolarHBondContact CE2-O 3.46Å; Y192-S373 VanDerWaalsContact CZ-CB 3.49Å; Y192-S373 PolarHBondContact OH-O 2.74Å; C369-S373 WeakPolarHBondContact O-CB 3.4Å; C369-S373 PolarHBondContact O-N 3.46Å; C369-S373 PolarHBondContact O-OG 3.36Å; I370-S373 PolarHBondContact O-OG 3.42Å; S373-R375 VanDerWaalsContact C-N 3.3Å; S373-R375 PolarHBondContact O-N 3.43Å; S373-I376 VanDerWaalsContact O-CG2 3.3Å; S373-I376 WeakPolarHBondContact O-CG2 3.45Å
374	M	97.9	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.2	-24.4	179.6	-66.4	177.7	168	0	0	113.5	W152 Q306 P310 I313 L317 Y327 I370 S372 I376 Y377	W152-M374 HydrophobicContact CZ2-CE 4.14Å; Q306-M374 HydrophobicContact CB-CB 4.14Å; Q306-M374 HydrophobicContact CB-CG 4.42Å; Q306-M374 HydrophobicContact CG-CB 3.95Å; Q306-M374 HydrophobicContact CG-CE 4.12Å; Q306-M374 HydrophobicContact CG-CG 3.71Å; Q306-M374 HydrophobicContact CG-SD 3.75Å; P310-M374 HydrophobicContact CB-CB 3.84Å; I313-M374 HydrophobicContact CG2-CE 4.48Å; I313-M374 HydrophobicContact CG2-SD 3.63Å; L317-M374 HydrophobicContact CD1-CE 3.32Å; L317-M374 HydrophobicContact CD1-SD 4.4Å; Y327-M374 HydrophobicContact CD1-CE 4Å; Y327-M374 HydrophobicContact CE1-CE 3.41Å; Y327-M374 VanDerWaalsContact CE1-CE 3.41Å; I370-M374 HydrophobicContact CD1-CE 3.74Å; I370-M374 HydrophobicContact CG1-CE 3.82Å; I370-M374 VanDerWaalsContact O-CG 3.24Å; I370-M374 WeakPolarHBondContact O-CG 3.23Å; I370-M374 PolarHBondContact O-N 3.31Å; S372-M374 VanDerWaalsContact C-N 3.29Å; S372-M374 PolarHBondContact O-N 2.99Å; M374-I376 PolarHBondContact O-N 3.38Å; M374-Y377 PolarHBondContact O-N 3.27Å
375	R	97.2	Very high	94.2	Very high	76 Å²	76	35.1 Å²	35.1	29%	0.287	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-28.5	-178.5	-82.1	-177.2	164.7	-110.8	5.6	112.6	P310 D311 S372 S373 Y377 K378 E379	P310-R375 HydrophobicContact CB-CG 4.15Å; P310-R375 HydrophobicContact CG-CG 3.91Å; D311-R375 IonicContact OD1-CZ 2.82Å; D311-R375 IonicContact OD1-NE 2.76Å; D311-R375 PolarHBondContact OD1-NE 2.82Å; D311-R375 IonicContact OD1-NH2 3.22Å; D311-R375 PolarHBondContact OD1-NH2 2.68Å; D311-R375 IonicContact OD2-CZ 2.62Å; D311-R375 IonicContact OD2-NE 3.76Å; D311-R375 PolarHBondContact OD2-NE 2.82Å; D311-R375 IonicContact OD2-NH2 3.08Å; D311-R375 PolarHBondContact OD2-NH2 2.98Å; S372-R375 PolarHBondContact O-N 3.41Å; S373-R375 VanDerWaalsContact C-N 3.3Å; S373-R375 PolarHBondContact O-N 3.43Å; R375-Y377 PolarHBondContact O-N 3.47Å; R375-Y377 VanDerWaalsContact O-N 3.15Å; R375-K378 WeakPolarHBondContact O-CB 3.26Å; R375-K378 PolarHBondContact O-N 2.81Å; R375-E379 IonicContact NH1-OE1 3.18Å; R375-E379 WeakPolarHBondContact O-CG 3.33Å; R375-E379 PolarHBondContact O-N 3.31Å
376	I	96.3	Very high	93.4	Very high	6 Å²	6	35 Å²	35	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-55.5	-36.6	179.2	-160.1	169.5	0	0	0	111.9	I189 Y192 I205 S373 M374 T380	I189-I376 HydrophobicContact CG2-CD1 3.86Å; Y192-I376 HydrophobicContact CE2-CG2 4.32Å; Y192-I376 WeakPolarHBondContact OH-CG2 3.45Å; I205-I376 HydrophobicContact CD1-CD1 3.96Å; I205-I376 HydrophobicContact CD1-CG1 4.41Å; S373-I376 VanDerWaalsContact O-CG2 3.3Å; S373-I376 WeakPolarHBondContact O-CG2 3.45Å; M374-I376 PolarHBondContact O-N 3.38Å; I376-T380 WeakPolarHBondContact O-CB 3.35Å; I376-T380 PolarHBondContact O-N 3.06Å; I376-T380 PolarHBondContact O-OG1 2.99Å
377	Y	95.9	Very high	92.6	Very high	26 Å²	26	38.1 Å²	38.1	10%	0.102	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-45.3	177.7	-67	-73.2	0	0	0	112	W152 L303 Q306 M374 R375 I381	W152-Y377 HydrophobicContact CB-CE2 4.2Å; W152-Y377 WeakPolarHBondContact CB-OH 3.43Å; W152-Y377 HydrophobicContact CD2-CE2 4.09Å; W152-Y377 HydrophobicContact CE3-CE2 4.36Å; W152-Y377 AromaticContact CG-CE2 4Å; W152-Y377 HydrophobicContact CG-CE2 4Å; L303-Y377 HydrophobicContact CD1-CD1 3.23Å; L303-Y377 HydrophobicContact CD1-CE1 3.65Å; L303-Y377 HydrophobicContact CD1-CG 3.92Å; Q306-Y377 HydrophobicContact CB-CD2 4.04Å; Q306-Y377 HydrophobicContact CB-CG 4.46Å; M374-Y377 PolarHBondContact O-N 3.27Å; R375-Y377 PolarHBondContact O-N 3.47Å; R375-Y377 VanDerWaalsContact O-N 3.15Å; Y377-I381 PolarHBondContact O-N 2.87Å; Y377-I381 VanDerWaalsContact O-N 3.12Å
378	K	96	Very high	92	Very high	29 Å²	29	36.2 Å²	36.2	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-52.6	177.1	172.3	173.9	173.8	57.4	0	111.2	S307 P310 R375 T380 I381 E382	S307-K378 WeakPolarHBondContact O-CA 3.39Å; S307-K378 WeakPolarHBondContact O-CB 3.2Å; S307-K378 WeakPolarHBondContact O-CG 3.34Å; P310-K378 HydrophobicContact CG-CB 4.13Å; P310-K378 HydrophobicContact CG-CD 3.88Å; R375-K378 WeakPolarHBondContact O-CB 3.26Å; R375-K378 PolarHBondContact O-N 2.81Å; K378-T380 VanDerWaalsContact C-N 3.32Å; K378-T380 PolarHBondContact O-N 3.23Å; K378-I381 PolarHBondContact O-N 3.31Å; K378-E382 VanDerWaalsContact NZ-CD 3.34Å; K378-E382 IonicContact NZ-OE1 2.68Å; K378-E382 PolarHBondContact NZ-OE1 2.64Å; K378-E382 IonicContact NZ-OE2 2.98Å; K378-E382 PolarHBondContact NZ-OE2 2.92Å; K378-E382 WeakPolarHBondContact O-CG 3.35Å; K378-E382 PolarHBondContact O-N 3.31Å
379	E	95.7	Very high	91.6	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-37.3	-175.4	-55.4	-60	155.1	0	0	110.6	R201 G202 F203 R375 E382 Q383	R201-E379 WeakPolarHBondContact CA-OE2 3.32Å; G202-E379 PolarHBondContact N-OE2 3.46Å; F203-E379 VanDerWaalsContact O-CB 3.26Å; F203-E379 WeakPolarHBondContact O-CB 3.25Å; R375-E379 IonicContact NH1-OE1 3.18Å; R375-E379 WeakPolarHBondContact O-CG 3.33Å; R375-E379 PolarHBondContact O-N 3.31Å; E379-E382 PolarHBondContact O-N 2.89Å; E379-Q383 VanDerWaalsContact O-CG 3.24Å; E379-Q383 WeakPolarHBondContact O-CG 3.33Å; E379-Q383 PolarHBondContact O-N 3.35Å
380	T	93.8	Very high	91	Very high	27 Å²	27	38.2 Å²	38.2	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-41.8	178.5	-59.6	0	0	0	0	112.7	G204 I205 I376 K378 E382 Q383 S386	G204-T380 WeakPolarHBondContact CA-OG1 3.44Å; I205-T380 HydrophobicContact CB-CG2 4.23Å; I205-T380 HydrophobicContact CG1-CG2 3.7Å; I205-T380 PolarHBondContact N-OG1 3.29Å; I205-T380 VanDerWaalsContact N-OG1 3.1Å; I376-T380 WeakPolarHBondContact O-CB 3.35Å; I376-T380 PolarHBondContact O-N 3.06Å; I376-T380 PolarHBondContact O-OG1 2.99Å; K378-T380 VanDerWaalsContact C-N 3.32Å; K378-T380 PolarHBondContact O-N 3.23Å; T380-E382 VanDerWaalsContact C-N 3.3Å; T380-E382 PolarHBondContact O-N 3.05Å; T380-Q383 PolarHBondContact O-N 3.29Å; T380-S386 WeakPolarHBondContact O-CB 3.13Å
381	I	88.8	Confident	90.3	Very high	114 Å²	114	38.2 Å²	38.2	59%	0.585	18%	0.184	S	C	*	.	H	α-helix	trans	-71	-28.3	179.6	-75.3	167.5	0	0	0	112	S307 Y377 K378 Q383	S307-I381 VanDerWaalsContact CB-CD1 3.49Å; S307-I381 WeakPolarHBondContact OG-CD1 3.49Å; Y377-I381 PolarHBondContact O-N 2.87Å; Y377-I381 VanDerWaalsContact O-N 3.12Å; K378-I381 PolarHBondContact O-N 3.31Å; I381-Q383 VanDerWaalsContact C-N 3.33Å
382	E	87.8	Confident	89.7	Confident	113 Å²	113	38.3 Å²	38.3	53%	0.528	18%	0.181	S	C	.	.	H	α-helix	trans	-80.1	-15.4	176.7	-70.7	-178.6	174.2	0	0	112.9	K378 E379 T380	K378-E382 VanDerWaalsContact NZ-CD 3.34Å; K378-E382 IonicContact NZ-OE1 2.68Å; K378-E382 PolarHBondContact NZ-OE1 2.64Å; K378-E382 IonicContact NZ-OE2 2.98Å; K378-E382 PolarHBondContact NZ-OE2 2.92Å; K378-E382 WeakPolarHBondContact O-CG 3.35Å; K378-E382 PolarHBondContact O-N 3.31Å; E379-E382 PolarHBondContact O-N 2.89Å; T380-E382 VanDerWaalsContact C-N 3.3Å; T380-E382 PolarHBondContact O-N 3.05Å
383	Q	85.1	Confident	89.3	Confident	37 Å²	37	39 Å²	39	17%	0.173	19%	0.188	C	C	.	.			trans	-87.8	121.5	-177.2	-81.4	-178.7	-29	0	0	113.3	G202 G204 E379 T380 I381 D385 S386	G202-Q383 VanDerWaalsContact C-NE2 3.26Å; G202-Q383 PolarHBondContact O-NE2 3.49Å; G204-Q383 VanDerWaalsContact CA-OE1 3.3Å; E379-Q383 VanDerWaalsContact O-CG 3.24Å; E379-Q383 WeakPolarHBondContact O-CG 3.33Å; E379-Q383 PolarHBondContact O-N 3.35Å; T380-Q383 PolarHBondContact O-N 3.29Å; I381-Q383 VanDerWaalsContact C-N 3.33Å; Q383-D385 VanDerWaalsContact C-N 3.33Å; Q383-D385 PolarHBondContact O-N 3.39Å; Q383-S386 PolarHBondContact O-N 2.75Å
384	Y	81.1	Confident	89.1	Confident	106 Å²	106	39 Å²	39	42%	0.416	19%	0.188	S	C	.	.	H	α-helix	trans	-62.4	-39.2	175.5	-177.2	-115.4	0	0	0	112.7	S386 F387 I388	Y384-S386 VanDerWaalsContact C-N 3.3Å; Y384-S386 PolarHBondContact O-N 2.77Å; Y384-F387 WeakPolarHBondContact O-CB 3.32Å; Y384-F387 PolarHBondContact O-N 3.01Å; Y384-F387 VanDerWaalsContact O-N 3.09Å; Y384-I388 HydrophobicContact CD1-CD1 3.77Å; Y384-I388 HydrophobicContact CE1-CD1 3.32Å; Y384-I388 HydrophobicContact CE1-CG1 4.13Å; Y384-I388 PolarHBondContact O-N 3.33Å
385	D	81.3	Confident	88.9	Confident	61 Å²	61	46.9 Å²	46.9	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-64.7	-36.3	-178.7	-60.2	-12.9	0	0	0	111.9	L31 T206 Q383 F387 I388 Y389	L31-D385 HydrophobicContact CD1-CB 3.9Å; L31-D385 HydrophobicContact CD2-CB 4.33Å; L31-D385 WeakPolarHBondContact CD2-OD1 3.44Å; T206-D385 HydrophobicContact CG2-CB 4.33Å; Q383-D385 VanDerWaalsContact C-N 3.33Å; Q383-D385 PolarHBondContact O-N 3.39Å; D385-F387 VanDerWaalsContact C-N 3.28Å; D385-F387 PolarHBondContact O-N 2.62Å; D385-I388 PolarHBondContact O-N 2.72Å; D385-Y389 VanDerWaalsContact O-CD2 3.3Å; D385-Y389 WeakPolarHBondContact O-CD2 3.16Å; D385-Y389 PolarHBondContact O-N 2.99Å
386	S	83.1	Confident	88.9	Confident	11 Å²	11	43.6 Å²	43.6	8%	0.077	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-40.1	174.2	-73.8	0	0	0	0	111.3	T206 T380 Q383 Y384 F390	T206-S386 PolarHBondContact OG1-OG 3.36Å; T380-S386 WeakPolarHBondContact O-CB 3.13Å; Q383-S386 PolarHBondContact O-N 2.75Å; Y384-S386 VanDerWaalsContact C-N 3.3Å; Y384-S386 PolarHBondContact O-N 2.77Å; S386-F390 WeakPolarHBondContact O-CB 3.4Å; S386-F390 PolarHBondContact O-N 3.06Å
387	F	82	Confident	89	Confident	78 Å²	78	45.2 Å²	45.2	34%	0.342	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-41.4	175.7	180	-93.1	0	0	0	112.6	I26 L261 Y384 D385 F390 G391	I26-F387 HydrophobicContact CD1-CD1 4.46Å; I26-F387 HydrophobicContact CD1-CE1 3.78Å; I26-F387 HydrophobicContact CD1-CZ 4.41Å; I26-F387 HydrophobicContact CG1-CE1 4.37Å; L261-F387 HydrophobicContact CD1-CD2 4.41Å; L261-F387 HydrophobicContact CD1-CE2 4.11Å; L261-F387 HydrophobicContact CD2-CD2 4.32Å; L261-F387 HydrophobicContact CD2-CE1 4.24Å; L261-F387 HydrophobicContact CD2-CE2 3.32Å; L261-F387 HydrophobicContact CD2-CZ 3.26Å; L261-F387 HydrophobicContact CG-CE2 4.38Å; Y384-F387 WeakPolarHBondContact O-CB 3.32Å; Y384-F387 PolarHBondContact O-N 3.01Å; Y384-F387 VanDerWaalsContact O-N 3.09Å; D385-F387 VanDerWaalsContact C-N 3.28Å; D385-F387 PolarHBondContact O-N 2.62Å; F387-F390 PolarHBondContact O-N 2.94Å; F387-G391 PolarHBondContact O-N 3.18Å; F387-G391 VanDerWaalsContact O-N 3.17Å
388	I	83.7	Confident	89.1	Confident	2 Å²	2	44 Å²	44	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-57.1	176.3	-69	168.4	0	0	0	109.9	V29 L31 Y384 D385 F390 G391 S392	V29-I388 HydrophobicContact CB-CD1 4.16Å; V29-I388 HydrophobicContact CB-CG2 4.45Å; V29-I388 HydrophobicContact CG1-CD1 3.99Å; V29-I388 HydrophobicContact CG2-CD1 4.34Å; L31-I388 HydrophobicContact CD1-CB 3.8Å; L31-I388 HydrophobicContact CD1-CD1 4.17Å; L31-I388 HydrophobicContact CD1-CG2 3.64Å; L31-I388 HydrophobicContact CD2-CD1 3.88Å; L31-I388 HydrophobicContact CG-CD1 4.25Å; L31-I388 HydrophobicContact CG-CG2 4.17Å; Y384-I388 HydrophobicContact CD1-CD1 3.77Å; Y384-I388 HydrophobicContact CE1-CD1 3.32Å; Y384-I388 HydrophobicContact CE1-CG1 4.13Å; Y384-I388 PolarHBondContact O-N 3.33Å; D385-I388 PolarHBondContact O-N 2.72Å; I388-F390 PolarHBondContact O-N 3.41Å; I388-F390 VanDerWaalsContact O-N 3.14Å; I388-G391 CarbonylContact O-C 3.49Å; I388-G391 PolarHBondContact O-N 2.95Å; I388-S392 PolarHBondContact O-N 2.7Å; I388-S392 PolarHBondContact O-OG 3.35Å
389	Y	88.3	Confident	89.2	Confident	17 Å²	17	42.6 Å²	42.6	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-32.8	-179.2	-78	-62.2	0	0	0	112.8	L31 V33 T206 N238 Q241 M242 D385 S392 K418	L31-Y389 HydrophobicContact CB-CE2 4.16Å; L31-Y389 WeakPolarHBondContact CB-OH 3.35Å; L31-Y389 HydrophobicContact CD1-CD2 3.62Å; L31-Y389 HydrophobicContact CD1-CE1 4.28Å; L31-Y389 HydrophobicContact CD1-CE2 3.3Å; L31-Y389 HydrophobicContact CD1-CG 4.24Å; L31-Y389 HydrophobicContact CG-CE2 4.38Å; V33-Y389 VanDerWaalsContact CG2-OH 3.28Å; V33-Y389 WeakPolarHBondContact CG2-OH 3.36Å; T206-Y389 HydrophobicContact CG2-CD2 4.24Å; T206-Y389 HydrophobicContact CG2-CE2 3.89Å; N238-Y389 WeakPolarHBondContact OD1-CB 3.5Å; N238-Y389 WeakPolarHBondContact OD1-CD2 3.3Å; N238-Y389 VanDerWaalsContact OD1-CG 3.28Å; Q241-Y389 HydrophobicContact CB-CD1 3.93Å; Q241-Y389 HydrophobicContact CB-CE1 4.09Å; Q241-Y389 PolarHBondContact NE2-O 3.25Å; Q241-Y389 PolarHBondContact OE1-O 2.93Å; M242-Y389 HydrophobicContact CE-CD2 4.44Å; M242-Y389 HydrophobicContact CE-CE2 3.59Å; M242-Y389 HydrophobicContact CG-CE1 3.96Å; M242-Y389 HydrophobicContact CG-CE2 4.4Å; M242-Y389 WeakPolarHBondContact CG-OH 3.4Å; D385-Y389 VanDerWaalsContact O-CD2 3.3Å; D385-Y389 WeakPolarHBondContact O-CD2 3.16Å; D385-Y389 PolarHBondContact O-N 2.99Å; Y389-S392 PolarHBondContact O-N 2.89Å; Y389-K418 PolarHBondContact O-NZ 2.96Å
390	F	86.2	Confident	89.3	Confident	49 Å²	49	42.3 Å²	42.3	22%	0.215	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-36.7	176.2	-160.8	-81.4	0	0	0	112.5	L234 Y256 D258 L261 S386 F387 I388 K418	L234-F390 HydrophobicContact CD2-CD2 3.69Å; L234-F390 HydrophobicContact CD2-CE2 3.64Å; Y256-F390 HydrophobicContact CD1-CE1 4.42Å; Y256-F390 AromaticContact CD1-CZ 3.79Å; Y256-F390 HydrophobicContact CD1-CZ 3.79Å; Y256-F390 HydrophobicContact CE1-CE1 4.41Å; Y256-F390 HydrophobicContact CE1-CZ 4.04Å; D258-F390 HydrophobicContact CB-CD1 4.44Å; D258-F390 HydrophobicContact CB-CE1 3.6Å; D258-F390 HydrophobicContact CB-CZ 4.48Å; L261-F390 HydrophobicContact CD1-CD1 3.39Å; L261-F390 HydrophobicContact CD1-CE1 3.91Å; L261-F390 HydrophobicContact CD1-CG 4.38Å; S386-F390 WeakPolarHBondContact O-CB 3.4Å; S386-F390 PolarHBondContact O-N 3.06Å; F387-F390 PolarHBondContact O-N 2.94Å; I388-F390 PolarHBondContact O-N 3.41Å; I388-F390 VanDerWaalsContact O-N 3.14Å; F390-K418 PolarHBondContact O-NZ 3.32Å
391	G	82.5	Confident	89.5	Confident	2 Å²	2	41 Å²	41	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-85.3	-22.7	173.7	0	0	0	0	0	115	H262 F387 I388	H262-G391 PolarHBondContact CE1-O 2.85Å; F387-G391 PolarHBondContact O-N 3.18Å; F387-G391 VanDerWaalsContact O-N 3.17Å; I388-G391 CarbonylContact O-C 3.49Å; I388-G391 PolarHBondContact O-N 2.95Å
392	S	85.4	Confident	89.9	Confident	21 Å²	21	38 Å²	38	15%	0.147	18%	0.183	C	C	.	.	S	Bend	trans	-71.4	151.3	-178.1	-57.5	0	0	0	0	112.9	Q241 I388 Y389 K418	Q241-S392 PolarHBondContact NE2-O 3.01Å; I388-S392 PolarHBondContact O-N 2.7Å; I388-S392 PolarHBondContact O-OG 3.35Å; Y389-S392 PolarHBondContact O-N 2.89Å; S392-K418 PolarHBondContact O-NZ 2.9Å
393	A	89.8	Confident	90.4	Very high	35 Å²	35	32.6 Å²	32.6	29%	0.289	16%	0.158	S	C	.	.			trans	-70.6	157.6	175.7	0	0	0	0	0	113	Q241 K418 V420	Q241-A393 PolarHBondContact NE2-O 2.95Å; A393-K418 CarbonylContact C-O 3.56Å; A393-K418 VanDerWaalsContact CA-O 3.31Å; A393-K418 WeakPolarHBondContact CA-O 3.45Å; A393-V420 HydrophobicContact CB-CG1 4.06Å
394	V	93.3	Very high	90.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-119.6	116.1	176.9	-176.1	0	0	0	0	107.9	T237 A240 Q241 L250 V396 K418 Y419 V420	T237-V394 HydrophobicContact CG2-CG2 3.56Å; A240-V394 HydrophobicContact CB-CG1 4.14Å; Q241-V394 HydrophobicContact CG-CB 4.48Å; Q241-V394 HydrophobicContact CG-CG2 3.83Å; L250-V394 HydrophobicContact CD2-CG1 3.96Å; V394-V396 HydrophobicContact CG1-CG2 3.97Å; V394-K418 HydrophobicContact CG2-CG 4.19Å; V394-K418 PolarHBondContact N-O 3.13Å; V394-Y419 HydrophobicContact CB-CD1 3.8Å; V394-Y419 HydrophobicContact CB-CE1 4.34Å; V394-Y419 HydrophobicContact CG1-CD1 4.06Å; V394-Y419 HydrophobicContact CG2-CD1 3.8Å; V394-Y419 HydrophobicContact CG2-CE1 3.87Å; V394-V420 VanDerWaalsContact O-CG2 3.31Å; V394-V420 WeakPolarHBondContact O-CG2 3.25Å; V394-V420 PolarHBondContact O-N 2.84Å; V394-V420 VanDerWaalsContact O-N 3.12Å
395	K	94.5	Very high	91.6	Very high	165 Å²	165	30.2 Å²	30.2	72%	0.717	16%	0.161	S	C	*	.			trans	-97	-19.6	-170.6	-61.8	178	-176.8	172.2	0	114.1	V420 N421	K395-V420 HydrophobicContact CG-CG2 4.2Å; K395-N421 WeakPolarHBondContact O-CB 3.49Å; K395-N421 PolarHBondContact O-ND2 3.39Å
396	V	96.1	Very high	92.3	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.048	15%	0.148	C	C	.	.	S	Bend	trans	-66.9	151.3	-179.6	-55.2	0	0	0	0	111.2	A240 P244 V247 L250 V394 T398	A240-V396 HydrophobicContact CB-CG1 4.38Å; A240-V396 HydrophobicContact CB-CG2 3.59Å; P244-V396 HydrophobicContact CB-CG1 4Å; V247-V396 HydrophobicContact CG1-CG2 4.45Å; V247-V396 WeakPolarHBondContact O-CG1 3.42Å; L250-V396 HydrophobicContact CB-CG2 3.8Å; V394-V396 HydrophobicContact CG1-CG2 3.97Å; V396-T398 PolarHBondContact O-N 3.47Å; V396-T398 PolarHBondContact O-OG1 3.11Å
397	P	97.8	Very high	92.6	Very high	39 Å²	39	30.8 Å²	30.8	25%	0.253	17%	0.168	S	C	.	.			trans	-52.9	126.3	173.5	-24.1	33.7	0	0	0	110.9	G249 L250 I423 F450 T454	G249-P397 WeakPolarHBondContact CA-O 3.42Å; L250-P397 PolarHBondContact N-O 2.93Å; P397-I423 HydrophobicContact CB-CD1 4.14Å; P397-I423 HydrophobicContact CB-CG2 4.33Å; P397-F450 WeakPolarHBondContact O-CZ 3.46Å; P397-T454 HydrophobicContact CB-CG2 4.32Å
398	T	98.3	Very high	93	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.6	-172.8	-57.4	0	0	0	0	111.5	L250 V396 I400 Y419 N421 I422 I423 R424	L250-T398 HydrophobicContact CB-CG2 4.45Å; L250-T398 HydrophobicContact CD2-CG2 4.37Å; L250-T398 HydrophobicContact CG-CG2 4.42Å; L250-T398 CarbonylContact O-C 3.46Å; L250-T398 WeakPolarHBondContact O-CA 3.42Å; V396-T398 PolarHBondContact O-N 3.47Å; V396-T398 PolarHBondContact O-OG1 3.11Å; T398-I400 HydrophobicContact CG2-CD1 4.48Å; T398-I400 HydrophobicContact CG2-CG1 4.07Å; T398-Y419 HydrophobicContact CG2-CD1 3.93Å; T398-Y419 HydrophobicContact CG2-CG 4.23Å; T398-N421 PolarHBondContact N-O 3.48Å; T398-I422 CarbonylContact O-C 3.47Å; T398-I422 WeakPolarHBondContact O-CA 3.45Å; T398-I423 PolarHBondContact O-N 3.07Å; T398-R424 PolarHBondContact O-N 3.15Å
399	A	98.3	Very high	93.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.9	166.7	0	0	0	0	0	111.2	L250 H251 L252 R424 F450	L250-A399 PolarHBondContact O-N 2.86Å; H251-A399 CarbonylContact C-O 3.53Å; H251-A399 WeakPolarHBondContact CA-O 3.41Å; L252-A399 PolarHBondContact N-O 3.43Å; A399-R424 CarbonylContact C-O 3.17Å; A399-R424 VanDerWaalsContact CA-O 3.29Å; A399-R424 WeakPolarHBondContact CA-O 3.28Å; A399-R424 HydrophobicContact CB-CB 3.88Å; A399-R424 HydrophobicContact CB-CG 4.41Å; A399-F450 HydrophobicContact CB-CB 3.65Å; A399-F450 HydrophobicContact CB-CD1 4.01Å; A399-F450 HydrophobicContact CB-CD2 3.28Å; A399-F450 HydrophobicContact CB-CE1 4.45Å; A399-F450 HydrophobicContact CB-CE2 3.78Å; A399-F450 HydrophobicContact CB-CG 3.37Å; A399-F450 HydrophobicContact CB-CZ 4.33Å
400	I	98.1	Very high	93.3	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	114	179.7	-50.2	-177.1	0	0	0	109.9	L252 A255 T398 R402 L415 Y419 I422 R424 S425 T426	L252-I400 CarbonylContact O-C 3.49Å; L252-I400 WeakPolarHBondContact O-CA 3.38Å; A255-I400 HydrophobicContact CB-CD1 4.13Å; A255-I400 HydrophobicContact CB-CG2 3.77Å; T398-I400 HydrophobicContact CG2-CD1 4.48Å; T398-I400 HydrophobicContact CG2-CG1 4.07Å; I400-R402 HydrophobicContact CG2-CG 3.85Å; I400-L415 HydrophobicContact CD1-CB 4.28Å; I400-L415 HydrophobicContact CD1-CD1 3.85Å; I400-Y419 HydrophobicContact CD1-CD2 4.35Å; I400-I422 HydrophobicContact CD1-CD1 3.84Å; I400-I422 HydrophobicContact CD1-CG1 4.13Å; I400-R424 PolarHBondContact N-O 3.03Å; I400-S425 CarbonylContact O-C 3.51Å; I400-S425 WeakPolarHBondContact O-CA 3.38Å; I400-T426 PolarHBondContact O-N 3.43Å
401	A	98.1	Very high	93.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.9	166.9	0	0	0	0	0	108.8	L252 F403 M428 D446	L252-A401 PolarHBondContact O-N 3.17Å; A401-F403 HydrophobicContact CB-CD2 4.32Å; A401-F403 HydrophobicContact CB-CE2 3.82Å; A401-M428 HydrophobicContact CB-CE 3.47Å; A401-M428 VanDerWaalsContact CB-CE 3.47Å; A401-D446 WeakPolarHBondContact CB-OD2 3.45Å
402	R	97.6	Very high	93.7	Very high	49 Å²	49	35.5 Å²	35.5	19%	0.185	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	95.4	-173.8	-56.9	176.1	73.3	-143.6	6.6	109.6	I400 C410 S425 T426 N427 M428	I400-R402 HydrophobicContact CG2-CG 3.85Å; R402-C410 PolarHBondContact NH2-O 3.02Å; R402-S425 WeakPolarHBondContact CD-OG 3.22Å; R402-T426 WeakPolarHBondContact CB-O 3.33Å; R402-T426 PolarHBondContact N-O 3.49Å; R402-N427 PolarHBondContact NH1-OD1 3.07Å; R402-M428 PolarHBondContact O-N 3.35Å
403	F	97.6	Very high	93.6	Very high	1 Å²	1	38 Å²	38	0%	0.004	22%	0.22	C	C	.	.			trans	-79.8	128.1	177.6	-75.1	-87.9	0	0	0	111	A401 G405 D406 L409 M428 R430 G432 A435 E439 L443	A401-F403 HydrophobicContact CB-CD2 4.32Å; A401-F403 HydrophobicContact CB-CE2 3.82Å; F403-G405 PolarHBondContact O-N 2.91Å; F403-D406 HydrophobicContact CB-CB 4.43Å; F403-D406 PolarHBondContact O-N 3.4Å; F403-L409 WeakPolarHBondContact O-CD1 3.22Å; F403-M428 HydrophobicContact CD1-CB 3.81Å; F403-M428 HydrophobicContact CD1-CG 3.94Å; F403-M428 HydrophobicContact CD2-CG 4.05Å; F403-M428 HydrophobicContact CE1-CB 3.91Å; F403-M428 HydrophobicContact CE1-CG 3.73Å; F403-M428 HydrophobicContact CE2-CG 3.84Å; F403-M428 HydrophobicContact CG-CB 4.19Å; F403-M428 HydrophobicContact CG-CG 4.09Å; F403-M428 HydrophobicContact CZ-CB 4.37Å; F403-M428 HydrophobicContact CZ-CE 4.49Å; F403-M428 HydrophobicContact CZ-CG 3.68Å; F403-M428 HydrophobicContact CZ-SD 4.33Å; F403-R430 WeakPolarHBondContact CD1-O 3.22Å; F403-G432 VanDerWaalsContact CB-O 3.27Å; F403-G432 WeakPolarHBondContact CB-O 3.31Å; F403-A435 HydrophobicContact CD1-CB 4.24Å; F403-A435 HydrophobicContact CD2-CB 3.67Å; F403-A435 HydrophobicContact CE1-CB 3.94Å; F403-A435 HydrophobicContact CE2-CB 3.32Å; F403-A435 HydrophobicContact CG-CB 4.12Å; F403-A435 HydrophobicContact CZ-CB 3.48Å; F403-A435 VanDerWaalsContact CZ-CB 3.48Å; F403-E439 HydrophobicContact CE1-CB 4Å; F403-E439 HydrophobicContact CE1-CG 4.42Å; F403-L443 HydrophobicContact CE2-CD1 4.26Å; F403-L443 HydrophobicContact CZ-CB 4.41Å
404	P	96.3	Very high	93.5	Very high	75 Å²	75	38.5 Å²	38.5	49%	0.487	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.4	-171.1	23.1	-33.9	0	0	0	114.4	L409 M428 G431	P404-L409 WeakPolarHBondContact O-CD1 3.44Å; P404-M428 WeakPolarHBondContact CD-O 3.21Å; P404-G431 WeakPolarHBondContact CD-O 3.43Å; P404-G431 WeakPolarHBondContact CG-O 3.29Å
405	G	95.1	Very high	93.4	Very high	17 Å²	17	38.5 Å²	38.5	18%	0.175	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.4	179.3	0	0	0	0	0	115.6	W335 T336 F403 G431	W335-G405 VanDerWaalsContact O-O 3.08Å; T336-G405 WeakPolarHBondContact O-CA 3.33Å; F403-G405 PolarHBondContact O-N 2.91Å; G405-G431 PolarHBondContact N-O 3.25Å
406	D	95.1	Very high	93.2	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.048	21%	0.208	C	C	.	.			trans	-65.3	122.9	-175.2	-172.3	-21.5	0	0	0	110.3	S254 F403 L408 L409 H433	S254-D406 WeakPolarHBondContact CA-OD2 3.46Å; S254-D406 WeakPolarHBondContact CB-OD2 3.49Å; S254-D406 PolarHBondContact OG-OD2 3.44Å; F403-D406 HydrophobicContact CB-CB 4.43Å; F403-D406 PolarHBondContact O-N 3.4Å; D406-L408 PolarHBondContact O-N 3.09Å; D406-L408 VanDerWaalsContact O-N 3.13Å; D406-L408 WeakPolarHBondContact OD1-CB 3.5Å; D406-L408 PolarHBondContact OD1-N 3.35Å; D406-L409 WeakPolarHBondContact O-CB 3.34Å; D406-L409 PolarHBondContact O-N 3.33Å; D406-L409 VanDerWaalsContact O-N 3.16Å; D406-H433 IonicContact OD1-CE1 2.75Å; D406-H433 IonicContact OD1-CG 3.33Å; D406-H433 IonicContact OD1-ND1 3.14Å; D406-H433 PolarHBondContact OD1-ND1 2.96Å; D406-H433 IonicContact OD2-ND1 3.45Å
407	P	91.3	Very high	92.7	Very high	75 Å²	75	38 Å²	38	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.2	179.1	27.9	-37	0	0	0	113.6	W335 L409	W335-P407 HydrophobicContact CB-CG 4.04Å; W335-P407 HydrophobicContact CD2-CG 4.43Å; W335-P407 HydrophobicContact CG-CG 3.88Å; P407-L409 VanDerWaalsContact C-N 3.29Å
408	L	90.6	Very high	92.4	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.246	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	9.4	178.5	-62	178.6	0	0	0	113.5	F233 A255 D406 C410	F233-L408 HydrophobicContact CD1-CD1 4.13Å; F233-L408 HydrophobicContact CE1-CD1 3.75Å; A255-L408 VanDerWaalsContact O-O 3.09Å; D406-L408 PolarHBondContact O-N 3.09Å; D406-L408 VanDerWaalsContact O-N 3.13Å; D406-L408 WeakPolarHBondContact OD1-CB 3.5Å; D406-L408 PolarHBondContact OD1-N 3.35Å; L408-C410 PolarHBondContact O-N 3.26Å
409	L	89.1	Confident	92.2	Very high	81 Å²	81	36.2 Å²	36.2	42%	0.424	21%	0.206	S	C	.	.			trans	-52.6	107.1	-179.8	-121	151.6	0	0	0	112.1	F403 P404 D406 P407	F403-L409 WeakPolarHBondContact O-CD1 3.22Å; P404-L409 WeakPolarHBondContact O-CD1 3.44Å; D406-L409 WeakPolarHBondContact O-CB 3.34Å; D406-L409 PolarHBondContact O-N 3.33Å; D406-L409 VanDerWaalsContact O-N 3.16Å; P407-L409 VanDerWaalsContact C-N 3.29Å
410	C	87.7	Confident	91.9	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.054	23%	0.23	C	C	.	.			trans	-106.1	140.5	-179.2	-168.9	0	0	0	0	110.4	A255 Y256 R402 L408 L412 H414 L415	A255-C410 WeakPolarHBondContact O-CB 3.19Å; Y256-C410 HydrophobicContact CD2-CB 4.48Å; R402-C410 PolarHBondContact NH2-O 3.02Å; L408-C410 PolarHBondContact O-N 3.26Å; C410-L412 PolarHBondContact O-N 2.89Å; C410-H414 VanDerWaalsContact SG-CB 3.55Å; C410-L415 HydrophobicContact CB-CD1 4.2Å; C410-L415 HydrophobicContact CB-CD2 3.81Å; C410-L415 HydrophobicContact CB-CG 3.9Å
411	P	87.3	Confident	91.8	Very high	61 Å²	61	43.1 Å²	43.1	40%	0.396	25%	0.246	S	C	.	.			trans	-55	135.5	169.9	-27.4	35.7	0	0	0	111.6	S413 H414 L415	P411-S413 PolarHBondContact O-N 3.42Å; P411-S413 VanDerWaalsContact O-N 3.14Å; P411-H414 WeakPolarHBondContact O-CB 3.43Å; P411-H414 PolarHBondContact O-N 3.28Å; P411-L415 PolarHBondContact O-N 3.27Å; P411-L415 VanDerWaalsContact O-N 3.15Å
412	L	89.6	Confident	91.8	Very high	50 Å²	50	44.8 Å²	44.8	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-31.3	-178.5	-176.1	62.4	0	0	0	112.5	C410 H414 L415 K416 I422	C410-L412 PolarHBondContact O-N 2.89Å; L412-H414 VanDerWaalsContact C-N 3.26Å; L412-H414 PolarHBondContact O-N 3.42Å; L412-L415 PolarHBondContact O-N 2.9Å; L412-K416 WeakPolarHBondContact O-CG 3.38Å; L412-K416 PolarHBondContact O-N 3.13Å; L412-I422 HydrophobicContact CD1-CD1 3.87Å
413	S	85.2	Confident	91.7	Very high	73 Å²	73	45.4 Å²	45.4	51%	0.51	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-33.1	173.5	50.5	0	0	0	0	113.2	Q265 P411	Q265-S413 PolarHBondContact NE2-O 3.47Å; P411-S413 PolarHBondContact O-N 3.42Å; P411-S413 VanDerWaalsContact O-N 3.14Å
414	H	85.8	Confident	91.7	Very high	46 Å²	46	48.1 Å²	48.1	21%	0.213	27%	0.271	C	S	.	.	H	α-helix	trans	-77.2	-43.8	175.5	-59.3	163	0	0	0	111.2	Q265 C410 P411 L412 K416 C417	Q265-H414 VanDerWaalsContact OE1-CA 3.23Å; Q265-H414 PolarHBondContact OE1-CD2 3.1Å; C410-H414 VanDerWaalsContact SG-CB 3.55Å; P411-H414 WeakPolarHBondContact O-CB 3.43Å; P411-H414 PolarHBondContact O-N 3.28Å; L412-H414 VanDerWaalsContact C-N 3.26Å; L412-H414 PolarHBondContact O-N 3.42Å; H414-K416 PolarHBondContact O-N 3Å; H414-C417 WeakPolarHBondContact O-CB 3.48Å; H414-C417 PolarHBondContact O-N 2.9Å
415	L	92	Very high	91.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-37.2	177.3	-65.7	174	0	0	0	112.4	A255 A257 I400 C410 P411 L412 C417 K418 Y419 I422	A255-L415 HydrophobicContact CB-CD1 4.22Å; A255-L415 HydrophobicContact CB-CD2 3.87Å; A257-L415 HydrophobicContact CB-CD2 4.26Å; I400-L415 HydrophobicContact CD1-CB 4.28Å; I400-L415 HydrophobicContact CD1-CD1 3.85Å; C410-L415 HydrophobicContact CB-CD1 4.2Å; C410-L415 HydrophobicContact CB-CD2 3.81Å; C410-L415 HydrophobicContact CB-CG 3.9Å; P411-L415 PolarHBondContact O-N 3.27Å; P411-L415 VanDerWaalsContact O-N 3.15Å; L412-L415 PolarHBondContact O-N 2.9Å; L415-C417 PolarHBondContact O-N 3.33Å; L415-C417 VanDerWaalsContact O-N 3.17Å; L415-K418 PolarHBondContact O-N 3.38Å; L415-K418 VanDerWaalsContact O-N 3.09Å; L415-Y419 HydrophobicContact CB-CD2 4.26Å; L415-Y419 HydrophobicContact CD2-CD2 4.18Å; L415-Y419 HydrophobicContact CD2-CE2 3.93Å; L415-Y419 WeakPolarHBondContact O-CD2 3.39Å; L415-Y419 PolarHBondContact O-N 2.78Å; L415-I422 HydrophobicContact CB-CD1 4.11Å
416	K	91.2	Very high	91.8	Very high	125 Å²	125	47.1 Å²	47.1	54%	0.543	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-19.7	177.2	-78.3	178.9	177.1	-173.1	0	114.9	L412 H414 I422	L412-K416 WeakPolarHBondContact O-CG 3.38Å; L412-K416 PolarHBondContact O-N 3.13Å; H414-K416 PolarHBondContact O-N 3Å; K416-I422 HydrophobicContact CG-CD1 3.96Å
417	C	85.6	Confident	91.9	Very high	36 Å²	36	52.2 Å²	52.2	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-77.1	-33.6	174.4	-76.7	0	0	0	0	112.5	Q265 H414 L415	Q265-C417 HydrophobicContact CG-CB 4.24Å; Q265-C417 VanDerWaalsContact CG-SG 3.58Å; Q265-C417 PolarHBondContact NE2-SG 3.03Å; H414-C417 WeakPolarHBondContact O-CB 3.48Å; H414-C417 PolarHBondContact O-N 2.9Å; L415-C417 PolarHBondContact O-N 3.33Å; L415-C417 VanDerWaalsContact O-N 3.17Å
418	K	89.9	Confident	92.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-86.1	-54.8	175.5	-175.6	171.2	-178.9	67.7	0	111.2	A257 Y389 F390 S392 A393 V394 L415 V420	A257-K418 HydrophobicContact CB-CB 3.91Å; A257-K418 HydrophobicContact CB-CD 4.32Å; Y389-K418 PolarHBondContact O-NZ 2.96Å; F390-K418 PolarHBondContact O-NZ 3.32Å; S392-K418 PolarHBondContact O-NZ 2.9Å; A393-K418 CarbonylContact C-O 3.56Å; A393-K418 VanDerWaalsContact CA-O 3.31Å; A393-K418 WeakPolarHBondContact CA-O 3.45Å; V394-K418 HydrophobicContact CG2-CG 4.19Å; V394-K418 PolarHBondContact N-O 3.13Å; L415-K418 PolarHBondContact O-N 3.38Å; L415-K418 VanDerWaalsContact O-N 3.09Å; K418-V420 PolarHBondContact O-N 3.3Å
419	Y	94.4	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-93.6	89	-179.4	-50.7	-82.9	0	0	0	108.8	T237 L250 L252 V394 T398 I400 L415 N421 I422	T237-Y419 HydrophobicContact CG2-CE1 4Å; T237-Y419 PolarHBondContact OG1-OH 2.89Å; L250-Y419 HydrophobicContact CD2-CD1 4.22Å; L250-Y419 HydrophobicContact CD2-CE1 3.97Å; L252-Y419 HydrophobicContact CD1-CD1 4.33Å; L252-Y419 HydrophobicContact CD1-CE1 3.53Å; L252-Y419 HydrophobicContact CD1-CE2 4.33Å; V394-Y419 HydrophobicContact CB-CD1 3.8Å; V394-Y419 HydrophobicContact CB-CE1 4.34Å; V394-Y419 HydrophobicContact CG1-CD1 4.06Å; V394-Y419 HydrophobicContact CG2-CD1 3.8Å; V394-Y419 HydrophobicContact CG2-CE1 3.87Å; T398-Y419 HydrophobicContact CG2-CD1 3.93Å; T398-Y419 HydrophobicContact CG2-CG 4.23Å; I400-Y419 HydrophobicContact CD1-CD2 4.35Å; L415-Y419 HydrophobicContact CB-CD2 4.26Å; L415-Y419 HydrophobicContact CD2-CD2 4.18Å; L415-Y419 HydrophobicContact CD2-CE2 3.93Å; L415-Y419 WeakPolarHBondContact O-CD2 3.39Å; L415-Y419 PolarHBondContact O-N 2.78Å; Y419-N421 PolarHBondContact O-N 3.47Å; Y419-I422 WeakPolarHBondContact O-CG1 3.49Å
420	V	93.4	Very high	93	Very high	85 Å²	85	54 Å²	54	52%	0.515	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.1	-171	-61.6	0	0	0	0	113.1	A393 V394 K395 K418	A393-V420 HydrophobicContact CB-CG1 4.06Å; V394-V420 VanDerWaalsContact O-CG2 3.31Å; V394-V420 WeakPolarHBondContact O-CG2 3.25Å; V394-V420 PolarHBondContact O-N 2.84Å; V394-V420 VanDerWaalsContact O-N 3.12Å; K395-V420 HydrophobicContact CG-CG2 4.2Å; K418-V420 PolarHBondContact O-N 3.3Å
421	N	95.7	Very high	93.4	Very high	64 Å²	64	54 Å²	54	34%	0.342	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	55.4	179.7	-169.6	15.4	0	0	0	111.8	K395 T398 Y419 I423	K395-N421 WeakPolarHBondContact O-CB 3.49Å; K395-N421 PolarHBondContact O-ND2 3.39Å; T398-N421 PolarHBondContact N-O 3.48Å; Y419-N421 PolarHBondContact O-N 3.47Å; N421-I423 PolarHBondContact O-N 3.35Å
422	I	97	Very high	93.9	Very high	35 Å²	35	51 Å²	51	18%	0.179	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	112	170.4	-64	164.6	0	0	0	108.8	T398 I400 L412 L415 K416 Y419 R424	T398-I422 CarbonylContact O-C 3.47Å; T398-I422 WeakPolarHBondContact O-CA 3.45Å; I400-I422 HydrophobicContact CD1-CD1 3.84Å; I400-I422 HydrophobicContact CD1-CG1 4.13Å; L412-I422 HydrophobicContact CD1-CD1 3.87Å; L415-I422 HydrophobicContact CB-CD1 4.11Å; K416-I422 HydrophobicContact CG-CD1 3.96Å; Y419-I422 WeakPolarHBondContact O-CG1 3.49Å; I422-R424 WeakPolarHBondContact CG2-O 3.37Å
423	I	96.6	Very high	94.3	Very high	63 Å²	63	48.9 Å²	48.9	32%	0.323	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-22.2	177	67.3	165.9	0	0	0	112.5	P397 T398 N421 F450 Q453 T454	P397-I423 HydrophobicContact CB-CD1 4.14Å; P397-I423 HydrophobicContact CB-CG2 4.33Å; T398-I423 PolarHBondContact O-N 3.07Å; N421-I423 PolarHBondContact O-N 3.35Å; I423-F450 HydrophobicContact CD1-CD2 3.9Å; I423-F450 HydrophobicContact CD1-CE2 3.63Å; I423-F450 HydrophobicContact CG1-CD2 4.17Å; I423-F450 HydrophobicContact CG1-CE2 3.9Å; I423-Q453 HydrophobicContact CD1-CB 4.46Å; I423-T454 HydrophobicContact CD1-CG2 3.52Å
424	R	96.7	Very high	94.9	Very high	58 Å²	58	46 Å²	46	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	135.8	-179.6	-176.6	178.8	176.1	81.2	6.1	110.9	T398 A399 I400 I422 T426 D446	T398-R424 PolarHBondContact O-N 3.15Å; A399-R424 CarbonylContact C-O 3.17Å; A399-R424 VanDerWaalsContact CA-O 3.29Å; A399-R424 WeakPolarHBondContact CA-O 3.28Å; A399-R424 HydrophobicContact CB-CB 3.88Å; A399-R424 HydrophobicContact CB-CG 4.41Å; I400-R424 PolarHBondContact N-O 3.03Å; I422-R424 WeakPolarHBondContact CG2-O 3.37Å; R424-T426 PolarHBondContact NE-OG1 3.42Å; R424-T426 PolarHBondContact NH2-OG1 2.86Å; R424-T426 VanDerWaalsContact NH2-OG1 3.15Å; R424-D446 IonicContact CZ-OD1 2.62Å; R424-D446 IonicContact NE-OD1 3.77Å; R424-D446 PolarHBondContact NE-OD1 3.18Å; R424-D446 IonicContact NH2-OD1 3.27Å; R424-D446 PolarHBondContact NH2-OD1 3.39Å
425	S	96.8	Very high	95.4	Very high	42 Å²	42	43.9 Å²	43.9	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	113.4	170.9	170	0	0	0	0	108.2	I400 R402	I400-S425 CarbonylContact O-C 3.51Å; I400-S425 WeakPolarHBondContact O-CA 3.38Å; R402-S425 WeakPolarHBondContact CD-OG 3.22Å
426	T	97.4	Very high	95.7	Very high	29 Å²	29	44.2 Å²	44.2	18%	0.178	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.7	-174.3	-54.1	0	0	0	0	109.4	I400 R402 R424 M428 D446	I400-T426 PolarHBondContact O-N 3.43Å; R402-T426 WeakPolarHBondContact CB-O 3.33Å; R402-T426 PolarHBondContact N-O 3.49Å; R424-T426 PolarHBondContact NE-OG1 3.42Å; R424-T426 PolarHBondContact NH2-OG1 2.86Å; R424-T426 VanDerWaalsContact NH2-OG1 3.15Å; T426-M428 HydrophobicContact CG2-CE 3.66Å; T426-M428 HydrophobicContact CG2-SD 3.95Å; T426-M428 PolarHBondContact O-N 3.24Å; T426-D446 VanDerWaalsContact CB-OD1 3.25Å; T426-D446 WeakPolarHBondContact CB-OD1 3.35Å; T426-D446 PolarHBondContact OG1-OD1 3.1Å
427	N	97.5	Very high	95.9	Very high	115 Å²	115	38.5 Å²	38.5	62%	0.615	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	114.5	168.6	-63	-39.2	0	0	0	108.3	R402	R402-N427 PolarHBondContact NH1-OD1 3.07Å
428	M	97.7	Very high	96.4	Very high	17 Å²	17	37.6 Å²	37.6	8%	0.084	20%	0.2	C	C	.	.			trans	-76.9	145.5	-179.3	-63.8	-61.2	172.2	0	0	110.7	A401 R402 F403 P404 T426 R430 L442 D446	A401-M428 HydrophobicContact CB-CE 3.47Å; A401-M428 VanDerWaalsContact CB-CE 3.47Å; R402-M428 PolarHBondContact O-N 3.35Å; F403-M428 HydrophobicContact CD1-CB 3.81Å; F403-M428 HydrophobicContact CD1-CG 3.94Å; F403-M428 HydrophobicContact CD2-CG 4.05Å; F403-M428 HydrophobicContact CE1-CB 3.91Å; F403-M428 HydrophobicContact CE1-CG 3.73Å; F403-M428 HydrophobicContact CE2-CG 3.84Å; F403-M428 HydrophobicContact CG-CB 4.19Å; F403-M428 HydrophobicContact CG-CG 4.09Å; F403-M428 HydrophobicContact CZ-CB 4.37Å; F403-M428 HydrophobicContact CZ-CE 4.49Å; F403-M428 HydrophobicContact CZ-CG 3.68Å; F403-M428 HydrophobicContact CZ-SD 4.33Å; P404-M428 WeakPolarHBondContact CD-O 3.21Å; T426-M428 HydrophobicContact CG2-CE 3.66Å; T426-M428 HydrophobicContact CG2-SD 3.95Å; T426-M428 PolarHBondContact O-N 3.24Å; M428-R430 VanDerWaalsContact C-N 3.29Å; M428-R430 PolarHBondContact O-N 3.2Å; M428-L442 HydrophobicContact SD-CB 4.41Å; M428-D446 HydrophobicContact CE-CB 3.44Å; M428-D446 VanDerWaalsContact CE-CB 3.44Å; M428-D446 VanDerWaalsContact CE-CG 3.42Å
429	P	97.5	Very high	96.8	Very high	95 Å²	95	38.9 Å²	38.9	62%	0.617	21%	0.206	S	C	*	.	S	Bend	trans	-71	-23.6	-177.8	27.4	-35.1	0	0	0	113.6	L442	P429-L442 HydrophobicContact CG-CD1 3.83Å; P429-L442 HydrophobicContact CG-CD2 4.33Å
430	R	97.1	Very high	96.9	Very high	128 Å²	128	39.9 Å²	39.9	48%	0.483	21%	0.212	S	C	.	.	S	Bend	trans	-164.3	174.5	-177.1	61	-179.1	-172.8	-77.5	-15.2	110.4	F403 M428 E439 L442	F403-R430 WeakPolarHBondContact CD1-O 3.22Å; M428-R430 VanDerWaalsContact C-N 3.29Å; M428-R430 PolarHBondContact O-N 3.2Å; R430-E439 WeakPolarHBondContact CD-OE1 3.48Å; R430-E439 HydrophobicContact CG-CG 4.25Å; R430-E439 WeakPolarHBondContact CG-OE1 3.36Å; R430-E439 IonicContact CZ-OE1 2.77Å; R430-E439 IonicContact CZ-OE2 2.99Å; R430-E439 VanDerWaalsContact CZ-OE2 3.24Å; R430-E439 IonicContact NE-OE1 3.99Å; R430-E439 PolarHBondContact NE-OE1 3.07Å; R430-E439 IonicContact NE-OE2 2.75Å; R430-E439 PolarHBondContact NE-OE2 3.17Å; R430-E439 IonicContact NH2-OE1 3.74Å; R430-E439 IonicContact NH2-OE2 3.79Å; R430-E439 PolarHBondContact NH2-OE2 3.48Å; R430-L442 HydrophobicContact CG-CD1 4.06Å
431	G	97.1	Very high	97	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	21%	0.211	C	C	.	.			trans	94.4	164.6	-177	0	0	0	0	0	112.6	P404 G405 E438	P404-G431 WeakPolarHBondContact CD-O 3.43Å; P404-G431 WeakPolarHBondContact CG-O 3.29Å; G405-G431 PolarHBondContact N-O 3.25Å; G431-E438 WeakPolarHBondContact CA-OE2 3.39Å
432	G	97.1	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.			trans	-127.7	-138.4	179.1	0	0	0	0	0	112.2	F403 F434 E438	F403-G432 VanDerWaalsContact CB-O 3.27Å; F403-G432 WeakPolarHBondContact CB-O 3.31Å; G432-F434 PolarHBondContact O-N 3.28Å; G432-E438 PolarHBondContact N-OE1 2.86Å; G432-E438 PolarHBondContact N-OE2 2.96Å
433	H	97.7	Very high	97.1	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.023	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.7	-169.8	-167.5	77.7	0	0	0	114.2	D230 W335 D406 A435 E438	D230-H433 VanDerWaalsContact CB-NE2 3.31Å; D230-H433 WeakPolarHBondContact CB-NE2 3.48Å; D230-H433 IonicContact OD2-CE1 2.76Å; D230-H433 IonicContact OD2-NE2 3.76Å; D230-H433 PolarHBondContact OD2-NE2 3.25Å; W335-H433 HydrophobicContact CB-CB 3.66Å; W335-H433 AromaticContact CE3-CD2 3.45Å; W335-H433 VanDerWaalsContact CE3-CD2 3.45Å; W335-H433 AromaticContact CE3-NE2 3.7Å; W335-H433 AromaticContact CZ3-NE2 3.84Å; W335-H433 VanDerWaalsContact O-CB 3.24Å; W335-H433 WeakPolarHBondContact O-CB 3.4Å; W335-H433 PolarHBondContact O-N 2.94Å; D406-H433 IonicContact OD1-CE1 2.75Å; D406-H433 IonicContact OD1-CG 3.33Å; D406-H433 IonicContact OD1-ND1 3.14Å; D406-H433 PolarHBondContact OD1-ND1 2.96Å; D406-H433 IonicContact OD2-ND1 3.45Å; H433-A435 VanDerWaalsContact C-N 3.28Å; H433-A435 PolarHBondContact O-N 3.18Å; H433-E438 PolarHBondContact N-OE1 2.58Å
434	F	97.7	Very high	97.1	Very high	12 Å²	12	34.7 Å²	34.7	5%	0.053	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	46.6	-176.1	-55	-80.3	0	0	0	111.2	P153 Y332 W335 F352 G432 A436 L437 E438	P153-F434 HydrophobicContact CG-CZ 4.42Å; Y332-F434 HydrophobicContact CD1-CD1 4.13Å; Y332-F434 AromaticContact CD1-CD2 3.71Å; Y332-F434 HydrophobicContact CD1-CD2 3.71Å; Y332-F434 HydrophobicContact CD1-CE1 4.16Å; Y332-F434 AromaticContact CD1-CE2 3.76Å; Y332-F434 HydrophobicContact CD1-CE2 3.76Å; Y332-F434 AromaticContact CD1-CG 3.89Å; Y332-F434 HydrophobicContact CD1-CG 3.89Å; Y332-F434 AromaticContact CD1-CZ 3.97Å; Y332-F434 HydrophobicContact CD1-CZ 3.97Å; Y332-F434 HydrophobicContact CD2-CZ 4.48Å; Y332-F434 HydrophobicContact CE1-CB 4.41Å; Y332-F434 AromaticContact CE1-CD1 3.59Å; Y332-F434 HydrophobicContact CE1-CD1 3.59Å; Y332-F434 HydrophobicContact CE1-CD2 4.04Å; Y332-F434 AromaticContact CE1-CE1 3.73Å; Y332-F434 HydrophobicContact CE1-CE1 3.73Å; Y332-F434 HydrophobicContact CE1-CE2 4.18Å; Y332-F434 AromaticContact CE1-CG 3.74Å; Y332-F434 HydrophobicContact CE1-CG 3.74Å; Y332-F434 HydrophobicContact CE1-CZ 4.02Å; Y332-F434 HydrophobicContact CE2-CE1 4.49Å; Y332-F434 HydrophobicContact CG-CD2 4.46Å; Y332-F434 HydrophobicContact CG-CE2 4.09Å; Y332-F434 HydrophobicContact CG-CZ 4.2Å; Y332-F434 AromaticContact CZ-CE1 3.91Å; W335-F434 HydrophobicContact CB-CE2 3.97Å; W335-F434 HydrophobicContact CE3-CE1 4.45Å; W335-F434 HydrophobicContact CE3-CE2 4.16Å; W335-F434 AromaticContact CE3-CZ 3.64Å; W335-F434 HydrophobicContact CE3-CZ 3.64Å; W335-F434 HydrophobicContact CZ3-CZ 4.28Å; F352-F434 HydrophobicContact CE1-CB 4.35Å; F352-F434 HydrophobicContact CZ-CB 4.27Å; F352-F434 HydrophobicContact CZ-CD2 4.27Å; G432-F434 PolarHBondContact O-N 3.28Å; F434-A436 PolarHBondContact O-N 3.19Å; F434-L437 HydrophobicContact CB-CB 4.4Å; F434-L437 HydrophobicContact CB-CD1 4.37Å; F434-L437 WeakPolarHBondContact O-CA 3.45Å; F434-L437 WeakPolarHBondContact O-CB 3.42Å; F434-L437 PolarHBondContact O-N 3.4Å; F434-E438 WeakPolarHBondContact CA-OE1 3.44Å; F434-E438 HydrophobicContact CB-CG 4.21Å; F434-E438 WeakPolarHBondContact CB-OE1 3.09Å; F434-E438 PolarHBondContact N-OE1 3.08Å; F434-E438 PolarHBondContact O-N 3.3Å
435	A	97.6	Very high	97.1	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-47.3	-37.7	-171.9	0	0	0	0	0	115.3	F403 H433 L437 E439 L443	F403-A435 HydrophobicContact CD1-CB 4.24Å; F403-A435 HydrophobicContact CD2-CB 3.67Å; F403-A435 HydrophobicContact CE1-CB 3.94Å; F403-A435 HydrophobicContact CE2-CB 3.32Å; F403-A435 HydrophobicContact CG-CB 4.12Å; F403-A435 HydrophobicContact CZ-CB 3.48Å; F403-A435 VanDerWaalsContact CZ-CB 3.48Å; H433-A435 VanDerWaalsContact C-N 3.28Å; H433-A435 PolarHBondContact O-N 3.18Å; A435-L437 VanDerWaalsContact C-N 3.3Å; A435-L437 PolarHBondContact O-N 3.4Å; A435-E439 CarbonylContact O-C 3.58Å; A435-E439 WeakPolarHBondContact O-CA 3.33Å; A435-E439 PolarHBondContact O-N 3.29Å; A435-L443 HydrophobicContact CB-CD2 4.14Å
436	A	97.3	Very high	97.1	Very high	7 Å²	7	33.2 Å²	33.2	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-28.9	178.8	0	0	0	0	0	113.5	F159 F434 P440 L443	F159-A436 HydrophobicContact CD1-CB 3.71Å; F159-A436 HydrophobicContact CE1-CB 3.97Å; F434-A436 PolarHBondContact O-N 3.19Å; A436-P440 WeakPolarHBondContact O-CB 3.25Å; A436-L443 HydrophobicContact CB-CD2 3.86Å
437	L	95.7	Very high	97.1	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-89.6	-43.9	176.7	-71	169.3	0	0	0	112	D158 Y332 F352 Q360 F434 A435	D158-L437 HydrophobicContact CB-CD1 4.21Å; D158-L437 HydrophobicContact CB-CD2 4.46Å; D158-L437 HydrophobicContact CB-CG 4.05Å; Y332-L437 HydrophobicContact CE1-CD1 3.85Å; F352-L437 HydrophobicContact CD1-CB 4.32Å; F352-L437 HydrophobicContact CE1-CB 3.91Å; Q360-L437 HydrophobicContact CG-CD1 4.37Å; F434-L437 HydrophobicContact CB-CB 4.4Å; F434-L437 HydrophobicContact CB-CD1 4.37Å; F434-L437 WeakPolarHBondContact O-CA 3.45Å; F434-L437 WeakPolarHBondContact O-CB 3.42Å; F434-L437 PolarHBondContact O-N 3.4Å; A435-L437 VanDerWaalsContact C-N 3.3Å; A435-L437 PolarHBondContact O-N 3.4Å
438	E	97	Very high	97	Very high	16 Å²	16	26.4 Å²	26.4	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-72.9	-47.8	-176.3	-64.3	176.7	-121.4	0	0	111.7	T336 F352 G431 G432 H433 F434	T336-E438 WeakPolarHBondContact CG2-OE2 3.5Å; F352-E438 HydrophobicContact CE1-CG 3.45Å; F352-E438 VanDerWaalsContact CE1-CG 3.45Å; F352-E438 HydrophobicContact CE2-CG 4.49Å; F352-E438 HydrophobicContact CZ-CG 3.43Å; F352-E438 VanDerWaalsContact CZ-CG 3.43Å; G431-E438 WeakPolarHBondContact CA-OE2 3.39Å; G432-E438 PolarHBondContact N-OE1 2.86Å; G432-E438 PolarHBondContact N-OE2 2.96Å; H433-E438 PolarHBondContact N-OE1 2.58Å; F434-E438 WeakPolarHBondContact CA-OE1 3.44Å; F434-E438 HydrophobicContact CB-CG 4.21Å; F434-E438 WeakPolarHBondContact CB-OE1 3.09Å; F434-E438 PolarHBondContact N-OE1 3.08Å; F434-E438 PolarHBondContact O-N 3.3Å
439	E	97.2	Very high	96.8	Very high	29 Å²	29	26 Å²	26	14%	0.136	13%	0.131	C	C	.	.			trans	-137.9	56.1	-169	-63.2	-63.6	170	0	0	111.9	F403 R430 A435 K441 L442 L443	F403-E439 HydrophobicContact CE1-CB 4Å; F403-E439 HydrophobicContact CE1-CG 4.42Å; R430-E439 WeakPolarHBondContact CD-OE1 3.48Å; R430-E439 HydrophobicContact CG-CG 4.25Å; R430-E439 WeakPolarHBondContact CG-OE1 3.36Å; R430-E439 IonicContact CZ-OE1 2.77Å; R430-E439 IonicContact CZ-OE2 2.99Å; R430-E439 VanDerWaalsContact CZ-OE2 3.24Å; R430-E439 IonicContact NE-OE1 3.99Å; R430-E439 PolarHBondContact NE-OE1 3.07Å; R430-E439 IonicContact NE-OE2 2.75Å; R430-E439 PolarHBondContact NE-OE2 3.17Å; R430-E439 IonicContact NH2-OE1 3.74Å; R430-E439 IonicContact NH2-OE2 3.79Å; R430-E439 PolarHBondContact NH2-OE2 3.48Å; A435-E439 CarbonylContact O-C 3.58Å; A435-E439 WeakPolarHBondContact O-CA 3.33Å; A435-E439 PolarHBondContact O-N 3.29Å; E439-K441 PolarHBondContact O-N 3.08Å; E439-K441 VanDerWaalsContact O-N 3.1Å; E439-L442 HydrophobicContact CB-CB 4.1Å; E439-L442 HydrophobicContact CB-CD1 3.96Å; E439-L442 HydrophobicContact CB-CG 4.24Å; E439-L442 HydrophobicContact CG-CD1 4.05Å; E439-L442 PolarHBondContact O-N 2.99Å; E439-L443 PolarHBondContact O-N 3.11Å; E439-L443 VanDerWaalsContact O-N 3.07Å
440	P	96.6	Very high	96.7	Very high	21 Å²	21	21.5 Å²	21.5	14%	0.136	10%	0.101	C	C	.	.	H	α-helix	trans	-55.3	-37	-172.9	19	-31.9	0	0	0	113	K161 M165 A436 A444	K161-P440 HydrophobicContact CB-CB 4.03Å; K161-P440 HydrophobicContact CB-CG 4.22Å; K161-P440 HydrophobicContact CD-CG 4.41Å; M165-P440 HydrophobicContact CE-CB 4.03Å; M165-P440 HydrophobicContact CE-CG 4.24Å; M165-P440 HydrophobicContact SD-CB 4.23Å; A436-P440 WeakPolarHBondContact O-CB 3.25Å; P440-A444 WeakPolarHBondContact O-CB 3.46Å; P440-A444 PolarHBondContact O-N 3.01Å
441	K	96.3	Very high	96.2	Very high	112 Å²	112	17.1 Å²	17.1	49%	0.487	9%	0.085	S	C	.	.	H	α-helix	trans	-67.4	-46	179.4	-172.4	177.6	175.7	177	0	112.1	M165 L174 E439 L443 A444 E445	M165-K441 HydrophobicContact SD-CB 4.49Å; L174-K441 HydrophobicContact CD2-CG 4.03Å; E439-K441 PolarHBondContact O-N 3.08Å; E439-K441 VanDerWaalsContact O-N 3.1Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.05Å; K441-A444 PolarHBondContact O-N 3.45Å; K441-E445 WeakPolarHBondContact CE-OE1 3.31Å; K441-E445 WeakPolarHBondContact O-CB 3.22Å; K441-E445 WeakPolarHBondContact O-CG 3.42Å; K441-E445 PolarHBondContact O-N 3.14Å
442	L	97	Very high	95.6	Very high	25 Å²	25	21.3 Å²	21.3	13%	0.131	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-42	178.9	-66.3	-179.5	0	0	0	110.7	M428 P429 R430 E439 D446	M428-L442 HydrophobicContact SD-CB 4.41Å; P429-L442 HydrophobicContact CG-CD1 3.83Å; P429-L442 HydrophobicContact CG-CD2 4.33Å; R430-L442 HydrophobicContact CG-CD1 4.06Å; E439-L442 HydrophobicContact CB-CB 4.1Å; E439-L442 HydrophobicContact CB-CD1 3.96Å; E439-L442 HydrophobicContact CB-CG 4.24Å; E439-L442 HydrophobicContact CG-CD1 4.05Å; E439-L442 PolarHBondContact O-N 2.99Å; L442-D446 PolarHBondContact O-N 3.37Å; L442-D446 VanDerWaalsContact O-N 3.12Å
443	L	97.8	Very high	94.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-65	-43.7	177.1	-175.4	59.4	0	0	0	111.9	I162 F403 A435 A436 E439 K441 E445 D446 I447	I162-L443 HydrophobicContact CD1-CB 3.82Å; I162-L443 HydrophobicContact CD1-CD2 3.73Å; I162-L443 HydrophobicContact CD1-CG 3.61Å; F403-L443 HydrophobicContact CE2-CD1 4.26Å; F403-L443 HydrophobicContact CZ-CB 4.41Å; A435-L443 HydrophobicContact CB-CD2 4.14Å; A436-L443 HydrophobicContact CB-CD2 3.86Å; E439-L443 PolarHBondContact O-N 3.11Å; E439-L443 VanDerWaalsContact O-N 3.07Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3.05Å; L443-E445 PolarHBondContact O-N 3.25Å; L443-D446 PolarHBondContact O-N 2.81Å; L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 4.15Å; L443-I447 WeakPolarHBondContact O-CG1 3.23Å; L443-I447 PolarHBondContact O-N 2.86Å
444	A	97.1	Very high	92.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-46.4	177.9	0	0	0	0	0	111.6	I162 M165 L166 L174 P440 K441 D446 I447 F448	I162-A444 HydrophobicContact CD1-CB 4.08Å; I162-A444 HydrophobicContact CG1-CB 3.84Å; M165-A444 HydrophobicContact CB-CB 4.07Å; M165-A444 HydrophobicContact SD-CB 4.28Å; L166-A444 HydrophobicContact CD2-CB 4.35Å; L174-A444 HydrophobicContact CD1-CB 4.03Å; P440-A444 WeakPolarHBondContact O-CB 3.46Å; P440-A444 PolarHBondContact O-N 3.01Å; K441-A444 PolarHBondContact O-N 3.45Å; A444-D446 VanDerWaalsContact C-N 3.28Å; A444-D446 PolarHBondContact O-N 3.03Å; A444-I447 PolarHBondContact O-N 3.33Å; A444-F448 VanDerWaalsContact O-CD2 3.23Å; A444-F448 WeakPolarHBondContact O-CD2 3.26Å; A444-F448 PolarHBondContact O-N 3.48Å
445	E	95.9	Very high	92.4	Very high	66 Å²	66	31.6 Å²	31.6	31%	0.308	16%	0.16	S	C	.	.	H	α-helix	trans	-59.6	-38	178.2	-74.1	174	172.8	0	0	112	L174 I176 K441 L443 G449	L174-E445 HydrophobicContact CD2-CG 3.76Å; I176-E445 HydrophobicContact CG2-CG 4.4Å; K441-E445 WeakPolarHBondContact CE-OE1 3.31Å; K441-E445 WeakPolarHBondContact O-CB 3.22Å; K441-E445 WeakPolarHBondContact O-CG 3.42Å; K441-E445 PolarHBondContact O-N 3.14Å; L443-E445 PolarHBondContact O-N 3.25Å; E445-G449 PolarHBondContact O-N 3.41Å
446	D	96.8	Very high	92.1	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-71.3	-38.2	176.5	-155.6	57.4	0	0	0	113.2	H251 A401 R424 T426 M428 L442 L443 A444 G449 F450	H251-D446 IonicContact CE1-OD2 2.99Å; H251-D446 IonicContact NE2-OD2 3.43Å; H251-D446 PolarHBondContact NE2-OD2 3.17Å; H251-D446 VanDerWaalsContact NE2-OD2 3.14Å; A401-D446 WeakPolarHBondContact CB-OD2 3.45Å; R424-D446 IonicContact CZ-OD1 2.62Å; R424-D446 IonicContact NE-OD1 3.77Å; R424-D446 PolarHBondContact NE-OD1 3.18Å; R424-D446 IonicContact NH2-OD1 3.27Å; R424-D446 PolarHBondContact NH2-OD1 3.39Å; T426-D446 VanDerWaalsContact CB-OD1 3.25Å; T426-D446 WeakPolarHBondContact CB-OD1 3.35Å; T426-D446 PolarHBondContact OG1-OD1 3.1Å; M428-D446 HydrophobicContact CE-CB 3.44Å; M428-D446 VanDerWaalsContact CE-CB 3.44Å; M428-D446 VanDerWaalsContact CE-CG 3.42Å; L442-D446 PolarHBondContact O-N 3.37Å; L442-D446 VanDerWaalsContact O-N 3.12Å; L443-D446 PolarHBondContact O-N 2.81Å; A444-D446 VanDerWaalsContact C-N 3.28Å; A444-D446 PolarHBondContact O-N 3.03Å; D446-G449 CarbonylContact O-C 3.58Å; D446-G449 PolarHBondContact O-N 3.11Å; D446-F450 PolarHBondContact O-N 3.23Å
447	I	97.2	Very high	91.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-45.7	174.2	-69.1	169.3	0	0	0	110.6	L146 I162 L166 F182 L443 A444 G449 F450 Y451	L146-I447 HydrophobicContact CD2-CG2 3.83Å; I162-I447 HydrophobicContact CD1-CD1 4.08Å; L166-I447 HydrophobicContact CD1-CD1 4.37Å; L166-I447 HydrophobicContact CD2-CB 4.18Å; L166-I447 HydrophobicContact CD2-CD1 4.35Å; L166-I447 HydrophobicContact CD2-CG2 3.86Å; F182-I447 HydrophobicContact CE2-CG2 3.93Å; F182-I447 HydrophobicContact CZ-CG2 3.93Å; L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 4.15Å; L443-I447 WeakPolarHBondContact O-CG1 3.23Å; L443-I447 PolarHBondContact O-N 2.86Å; A444-I447 PolarHBondContact O-N 3.33Å; I447-G449 VanDerWaalsContact C-N 3.35Å; I447-F450 PolarHBondContact O-N 3.02Å; I447-Y451 PolarHBondContact O-N 3.45Å
448	F	96.1	Very high	91.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-43.9	172.8	-81.8	-72.1	0	0	0	111.4	L166 P169 L174 I176 I180 F182 A444 F450 Y451 L452	L166-F448 HydrophobicContact CD2-CD2 4.37Å; L166-F448 HydrophobicContact CD2-CE2 3.97Å; P169-F448 HydrophobicContact CB-CE2 4.04Å; P169-F448 HydrophobicContact CB-CZ 3.74Å; P169-F448 HydrophobicContact CG-CE1 4.22Å; P169-F448 HydrophobicContact CG-CE2 4.46Å; P169-F448 HydrophobicContact CG-CZ 3.67Å; L174-F448 HydrophobicContact CD1-CE2 4.24Å; I176-F448 HydrophobicContact CG1-CB 4.31Å; I176-F448 HydrophobicContact CG2-CB 3.79Å; I176-F448 HydrophobicContact CG2-CD2 4.21Å; I176-F448 HydrophobicContact CG2-CG 4.11Å; I180-F448 HydrophobicContact CD1-CD1 4.03Å; I180-F448 HydrophobicContact CD1-CE1 4.37Å; I180-F448 HydrophobicContact CG1-CD1 4.08Å; I180-F448 HydrophobicContact CG1-CE1 4.06Å; F182-F448 HydrophobicContact CD2-CD1 4.37Å; F182-F448 AromaticContact CD2-CE1 3.79Å; F182-F448 HydrophobicContact CD2-CE1 3.79Å; F182-F448 HydrophobicContact CD2-CE2 4.42Å; F182-F448 AromaticContact CD2-CZ 3.8Å; F182-F448 HydrophobicContact CD2-CZ 3.8Å; F182-F448 AromaticContact CE2-CD1 3.47Å; F182-F448 HydrophobicContact CE2-CD1 3.47Å; F182-F448 VanDerWaalsContact CE2-CD1 3.47Å; F182-F448 HydrophobicContact CE2-CD2 4.23Å; F182-F448 AromaticContact CE2-CE1 3.33Å; F182-F448 HydrophobicContact CE2-CE1 3.33Å; F182-F448 HydrophobicContact CE2-CE2 4.12Å; F182-F448 AromaticContact CE2-CG 3.92Å; F182-F448 HydrophobicContact CE2-CG 3.92Å; F182-F448 AromaticContact CE2-CZ 3.66Å; F182-F448 HydrophobicContact CE2-CZ 3.66Å; F182-F448 HydrophobicContact CZ-CD1 4.07Å; F182-F448 HydrophobicContact CZ-CE1 4.23Å; A444-F448 VanDerWaalsContact O-CD2 3.23Å; A444-F448 WeakPolarHBondContact O-CD2 3.26Å; A444-F448 PolarHBondContact O-N 3.48Å; F448-F450 VanDerWaalsContact C-N 3.32Å; F448-F450 PolarHBondContact O-N 3.38Å; F448-Y451 PolarHBondContact O-N 2.96Å; F448-L452 WeakPolarHBondContact O-CG 3.11Å; F448-L452 PolarHBondContact O-N 3.25Å
449	G	94	Very high	91.2	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-34.6	179.5	0	0	0	0	0	113.8	E445 D446 I447 Q453	E445-G449 PolarHBondContact O-N 3.41Å; D446-G449 CarbonylContact O-C 3.58Å; D446-G449 PolarHBondContact O-N 3.11Å; I447-G449 VanDerWaalsContact C-N 3.35Å; G449-Q453 WeakPolarHBondContact O-CG 3.42Å
450	F	94.4	Very high	90.8	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-50.9	172.3	168.9	-137.4	0	0	0	111	L225 H251 P397 A399 I423 D446 I447 F448 L452 Q453 T454	L225-F450 HydrophobicContact CD2-CE1 4.33Å; H251-F450 HydrophobicContact CB-CD1 3.84Å; H251-F450 HydrophobicContact CB-CE1 4.06Å; P397-F450 WeakPolarHBondContact O-CZ 3.46Å; A399-F450 HydrophobicContact CB-CB 3.65Å; A399-F450 HydrophobicContact CB-CD1 4.01Å; A399-F450 HydrophobicContact CB-CD2 3.28Å; A399-F450 HydrophobicContact CB-CE1 4.45Å; A399-F450 HydrophobicContact CB-CE2 3.78Å; A399-F450 HydrophobicContact CB-CG 3.37Å; A399-F450 HydrophobicContact CB-CZ 4.33Å; I423-F450 HydrophobicContact CD1-CD2 3.9Å; I423-F450 HydrophobicContact CD1-CE2 3.63Å; I423-F450 HydrophobicContact CG1-CD2 4.17Å; I423-F450 HydrophobicContact CG1-CE2 3.9Å; D446-F450 PolarHBondContact O-N 3.23Å; I447-F450 PolarHBondContact O-N 3.02Å; F448-F450 VanDerWaalsContact C-N 3.32Å; F448-F450 PolarHBondContact O-N 3.38Å; F450-L452 VanDerWaalsContact C-N 3.33Å; F450-L452 PolarHBondContact O-N 2.88Å; F450-Q453 PolarHBondContact O-N 2.76Å; F450-Q453 VanDerWaalsContact O-N 3.13Å; F450-T454 HydrophobicContact CD2-CG2 4.19Å; F450-T454 HydrophobicContact CE2-CG2 3.76Å; F450-T454 HydrophobicContact CZ-CG2 4.23Å; F450-T454 PolarHBondContact O-N 2.74Å
451	Y	86.6	Confident	90.4	Very high	37 Å²	37	39.3 Å²	39.3	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-39.7	-177.2	-180	-93.2	0	0	0	112.5	Y144 I180 F182 L225 I447 F448 Q453 T454	Y144-Y451 HydrophobicContact CD1-CD2 4.5Å; Y144-Y451 HydrophobicContact CD1-CE1 4.47Å; Y144-Y451 AromaticContact CD1-CE2 3.65Å; Y144-Y451 HydrophobicContact CD1-CE2 3.65Å; Y144-Y451 AromaticContact CD1-CZ 3.69Å; Y144-Y451 HydrophobicContact CD2-CD1 4.1Å; Y144-Y451 HydrophobicContact CD2-CD2 4.43Å; Y144-Y451 AromaticContact CD2-CE1 3.75Å; Y144-Y451 HydrophobicContact CD2-CE1 3.75Å; Y144-Y451 HydrophobicContact CD2-CE2 4.1Å; Y144-Y451 HydrophobicContact CD2-CG 4.44Å; Y144-Y451 AromaticContact CD2-CZ 3.8Å; Y144-Y451 AromaticContact CE1-CE1 4Å; Y144-Y451 HydrophobicContact CE1-CE1 4Å; Y144-Y451 AromaticContact CE1-CE2 3.67Å; Y144-Y451 HydrophobicContact CE1-CE2 3.67Å; Y144-Y451 AromaticContact CE1-CZ 3.23Å; Y144-Y451 WeakPolarHBondContact CE1-OH 3.49Å; Y144-Y451 AromaticContact CE2-CD1 3.89Å; Y144-Y451 HydrophobicContact CE2-CD1 3.89Å; Y144-Y451 AromaticContact CE2-CE1 3.16Å; Y144-Y451 HydrophobicContact CE2-CE1 3.16Å; Y144-Y451 HydrophobicContact CE2-CE2 4.1Å; Y144-Y451 AromaticContact CE2-CZ 3.34Å; Y144-Y451 HydrophobicContact CG-CD2 4.32Å; Y144-Y451 HydrophobicContact CG-CE1 4.35Å; Y144-Y451 AromaticContact CG-CE2 3.87Å; Y144-Y451 HydrophobicContact CG-CE2 3.87Å; Y144-Y451 AromaticContact CG-CZ 3.95Å; Y144-Y451 AromaticContact CZ-CE1 3.3Å; Y144-Y451 AromaticContact CZ-CE2 3.89Å; Y144-Y451 AromaticContact CZ-CZ 3.02Å; Y144-Y451 WeakPolarHBondContact OH-CE1 3.39Å; Y144-Y451 PolarHBondContact OH-OH 3.33Å; I180-Y451 HydrophobicContact CD1-CD1 3.3Å; I180-Y451 HydrophobicContact CD1-CE1 3.85Å; I180-Y451 HydrophobicContact CD1-CG 4.28Å; F182-Y451 HydrophobicContact CE1-CG 4.42Å; F182-Y451 HydrophobicContact CZ-CG 4.5Å; L225-Y451 HydrophobicContact CD1-CD2 3.68Å; L225-Y451 HydrophobicContact CD1-CG 4.36Å; I447-Y451 PolarHBondContact O-N 3.45Å; F448-Y451 PolarHBondContact O-N 2.96Å; Y451-Q453 PolarHBondContact O-N 3.02Å; Y451-T454 PolarHBondContact O-N 3.43Å; Y451-T454 VanDerWaalsContact O-N 3.13Å; Y451-T454 PolarHBondContact O-OG1 3.33Å; Y451-T454 VanDerWaalsContact O-OXT 3.1Å
452	L	83.6	Confident	90	Very high	96 Å²	96	33.7 Å²	33.7	50%	0.503	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.5	179.5	-67.7	171.4	0	0	0	113.9	I176 I180 F448 F450	I176-L452 HydrophobicContact CD1-CD1 4.41Å; I176-L452 HydrophobicContact CG1-CD1 3.74Å; I180-L452 HydrophobicContact CD1-CD2 4.07Å; F448-L452 WeakPolarHBondContact O-CG 3.11Å; F448-L452 PolarHBondContact O-N 3.25Å; F450-L452 VanDerWaalsContact C-N 3.33Å; F450-L452 PolarHBondContact O-N 2.88Å
453	Q	74.2	Confident	89.4	Confident	111 Å²	111	34.4 Å²	34.4	52%	0.519	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-11.4	176.4	-67.5	-179.2	-7.8	0	0	113.7	I423 G449 F450 Y451	I423-Q453 HydrophobicContact CD1-CB 4.46Å; G449-Q453 WeakPolarHBondContact O-CG 3.42Å; F450-Q453 PolarHBondContact O-N 2.76Å; F450-Q453 VanDerWaalsContact O-N 3.13Å; Y451-Q453 PolarHBondContact O-N 3.02Å
454	T	58.9	Low	88.6	Confident	89 Å²	89	37.5 Å²	37.5	55%	0.546	19%	0.193	S	C	.	.			trans	-92.5	0	171.8	55.2	0	0	0	0	110.7	P397 I423 F450 Y451	P397-T454 HydrophobicContact CB-CG2 4.32Å; I423-T454 HydrophobicContact CD1-CG2 3.52Å; F450-T454 HydrophobicContact CD2-CG2 4.19Å; F450-T454 HydrophobicContact CE2-CG2 3.76Å; F450-T454 HydrophobicContact CZ-CG2 4.23Å; F450-T454 PolarHBondContact O-N 2.74Å; Y451-T454 PolarHBondContact O-N 3.43Å; Y451-T454 VanDerWaalsContact O-N 3.13Å; Y451-T454 PolarHBondContact O-OG1 3.33Å; Y451-T454 VanDerWaalsContact O-OXT 3.1Å

Retrieved 454 of 454 residues in 665.1 ms (Link to these results)

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