A0A061ILT6_CRIGR Loading...

folate gamma-glutamyl hydrolase

AlphaFold DB , UniProt , Accession A0A061ILT6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ggh, Length 318 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	38.1	Very low	65.8	Low	241 Å²	241	81 Å²	81	100%	1.187	44%	0.44	S	S	*	.				0	112.9	0	-73.8	-175.9	-84.4	0	0	107.5	N3	M1-N3 PolarHBondContact O-N 2.98Å
2	A	47.8	Very low	66.2	Low	41 Å²	41	75.5 Å²	75.5	34%	0.339	42%	0.416	S	S	.	.			trans	-62.2	129.5	175	0	0	0	0	0	108.8	L4 L7 L187	A2-L4 PolarHBondContact O-N 2.91Å; A2-L7 HydrophobicContact CB-CD1 3.86Å; A2-L7 HydrophobicContact CB-CG 4.47Å; A2-L187 HydrophobicContact CB-CD2 3.57Å
3	N	63.6	Low	66.5	Low	107 Å²	107	71.2 Å²	71.2	57%	0.572	39%	0.392	S	S	*	.			trans	-62.3	129.9	177.2	-175.1	-15.7	0	0	0	108.5	M1 G5 R6	M1-N3 PolarHBondContact O-N 2.98Å; N3-G5 PolarHBondContact O-N 3.34Å; N3-G5 PolarHBondContact OD1-N 3.25Å; N3-R6 HydrophobicContact CB-CG 4.29Å; N3-R6 WeakPolarHBondContact O-CB 3.46Å; N3-R6 PolarHBondContact O-N 3.48Å
4	L	67.8	Low	66.8	Low	129 Å²	129	71 Å²	71	68%	0.675	39%	0.39	S	S	*	.	H	α-helix	trans	-48.9	-35.7	-176.3	-170.5	68.9	0	0	0	112.2	A2 R6 L7 L8	A2-L4 PolarHBondContact O-N 2.91Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.05Å; L4-L8 HydrophobicContact CG-CD1 4.18Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 2.94Å
5	G	65.4	Low	66.6	Low	36 Å²	36	75.9 Å²	75.9	37%	0.371	41%	0.414	S	S	.	.	H	α-helix	trans	-61	-33.5	175.9	0	0	0	0	0	114.9	N3 L8 C9	N3-G5 PolarHBondContact O-N 3.34Å; N3-G5 PolarHBondContact OD1-N 3.25Å; G5-L8 PolarHBondContact O-N 2.61Å; G5-C9 PolarHBondContact O-N 2.91Å; G5-C9 VanDerWaalsContact O-N 3.15Å; G5-C9 PolarHBondContact O-SG 2.91Å; G5-C9 VanDerWaalsContact O-SG 3.36Å
6	R	66.8	Low	66	Low	68 Å²	68	76.9 Å²	76.9	26%	0.257	43%	0.427	S	S	.	.	H	α-helix	trans	-67.5	-45.9	178	-62.3	179.4	-172	179.3	-0.9	111.2	N3 L4 L8 C9 V10 N163	N3-R6 HydrophobicContact CB-CG 4.29Å; N3-R6 WeakPolarHBondContact O-CB 3.46Å; N3-R6 PolarHBondContact O-N 3.48Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.43Å; R6-L8 VanDerWaalsContact C-N 3.32Å; R6-C9 PolarHBondContact O-N 3Å; R6-V10 WeakPolarHBondContact O-CG2 3.44Å; R6-V10 PolarHBondContact O-N 2.91Å; R6-V10 VanDerWaalsContact O-N 3.16Å; R6-N163 WeakPolarHBondContact CD-OD1 3.29Å; R6-N163 HydrophobicContact CG-CB 4.36Å; R6-N163 VanDerWaalsContact NE-CG 3.31Å; R6-N163 PolarHBondContact NE-OD1 3.12Å; R6-N163 PolarHBondContact NH1-OD1 2.87Å; R6-N163 PolarHBondContact NH2-ND2 3.22Å; R6-N163 VanDerWaalsContact NH2-ND2 3.2Å; R6-N163 PolarHBondContact NH2-OD1 3Å
7	L	74.3	Confident	64.9	Low	60 Å²	60	74.5 Å²	74.5	31%	0.314	42%	0.423	S	S	.	.	H	α-helix	trans	-66.7	-35.5	178.5	-80.1	150.6	0	0	0	111.4	A2 L4 V10 L11 L187	A2-L7 HydrophobicContact CB-CD1 3.86Å; A2-L7 HydrophobicContact CB-CG 4.47Å; L4-L7 PolarHBondContact O-N 3.05Å; L7-V10 PolarHBondContact O-N 3.17Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.33Å; L7-L11 WeakPolarHBondContact O-CG 3.26Å; L7-L11 PolarHBondContact O-N 2.82Å; L7-L187 HydrophobicContact CD2-CD2 4.47Å
8	L	75.9	Confident	63.6	Low	103 Å²	103	75.3 Å²	75.3	54%	0.539	43%	0.432	S	S	.	.	H	α-helix	trans	-64.1	-40	174.9	-72.6	168.4	0	0	0	112.6	L4 G5 R6 L11 G12	L4-L8 HydrophobicContact CG-CD1 4.18Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.35Å; L4-L8 PolarHBondContact O-N 2.94Å; G5-L8 PolarHBondContact O-N 2.61Å; R6-L8 VanDerWaalsContact C-N 3.32Å; L8-L11 HydrophobicContact CD2-CD1 4.49Å; L8-L11 PolarHBondContact O-N 3.37Å; L8-G12 PolarHBondContact O-N 3.36Å
9	C	78.4	Confident	62.5	Low	19 Å²	19	76.3 Å²	76.3	13%	0.128	45%	0.45	C	S	.	.	H	α-helix	trans	-65.8	-39.6	174.3	-65.7	0	0	0	0	111.6	G5 R6 G12 L13 F164 L169	G5-C9 PolarHBondContact O-N 2.91Å; G5-C9 VanDerWaalsContact O-N 3.15Å; G5-C9 PolarHBondContact O-SG 2.91Å; G5-C9 VanDerWaalsContact O-SG 3.36Å; R6-C9 PolarHBondContact O-N 3Å; C9-G12 PolarHBondContact O-N 3.09Å; C9-L13 PolarHBondContact O-N 3.18Å; C9-F164 HydrophobicContact CB-CB 4.21Å; C9-L169 VanDerWaalsContact O-CD2 3.32Å; C9-L169 WeakPolarHBondContact O-CD2 3.15Å
10	V	73.8	Confident	61.4	Low	3 Å²	3	77.8 Å²	77.8	2%	0.018	47%	0.465	C	S	.	.	H	α-helix	trans	-65.4	-45.2	174.1	179.3	0	0	0	0	110.8	R6 L7 G12 L13 L14 F164 L182 V183 A186	R6-V10 WeakPolarHBondContact O-CG2 3.44Å; R6-V10 PolarHBondContact O-N 2.91Å; R6-V10 VanDerWaalsContact O-N 3.16Å; L7-V10 PolarHBondContact O-N 3.17Å; V10-G12 VanDerWaalsContact C-N 3.25Å; V10-G12 PolarHBondContact O-N 2.62Å; V10-L13 WeakPolarHBondContact O-CA 3.33Å; V10-L13 VanDerWaalsContact O-CB 3.3Å; V10-L13 WeakPolarHBondContact O-CB 3.44Å; V10-L13 PolarHBondContact O-N 3.4Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 2.98Å; V10-F164 HydrophobicContact CG2-CD2 3.82Å; V10-F164 HydrophobicContact CG2-CE2 4.43Å; V10-F164 HydrophobicContact CG2-CG 4.42Å; V10-L182 HydrophobicContact CG1-CB 4.35Å; V10-V183 HydrophobicContact CG1-CB 4.43Å; V10-V183 HydrophobicContact CG1-CG2 3.56Å; V10-A186 HydrophobicContact CG2-CB 3.66Å
11	L	72.5	Confident	60.3	Low	84 Å²	84	78.4 Å²	78.4	44%	0.44	47%	0.471	S	S	.	.	H	α-helix	trans	-56.7	-39.5	173.8	-81.3	153.9	0	0	0	112	L7 L8 L13 L14 L15	L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.33Å; L7-L11 WeakPolarHBondContact O-CG 3.26Å; L7-L11 PolarHBondContact O-N 2.82Å; L8-L11 HydrophobicContact CD2-CD1 4.49Å; L8-L11 PolarHBondContact O-N 3.37Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L13 PolarHBondContact O-N 2.89Å; L11-L14 WeakPolarHBondContact O-CB 3.47Å; L11-L14 PolarHBondContact O-N 3.19Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.69Å
12	G	70.3	Confident	60.6	Low	15 Å²	15	71 Å²	71	16%	0.155	46%	0.456	C	S	.	.	H	α-helix	trans	-61.3	-40.6	172	0	0	0	0	0	112.6	L8 C9 V10 L14 L15 C16 L169	L8-G12 PolarHBondContact O-N 3.36Å; C9-G12 PolarHBondContact O-N 3.09Å; V10-G12 VanDerWaalsContact C-N 3.25Å; V10-G12 PolarHBondContact O-N 2.62Å; G12-L14 PolarHBondContact O-N 3.04Å; G12-L15 PolarHBondContact O-N 3.39Å; G12-C16 VanDerWaalsContact O-CB 3.25Å; G12-C16 WeakPolarHBondContact O-CB 3.31Å; G12-C16 PolarHBondContact O-N 2.8Å; G12-C16 PolarHBondContact O-SG 3.49Å; G12-L169 VanDerWaalsContact CA-CD2 3.47Å
13	L	70.5	Confident	60	Low	19 Å²	19	75.6 Å²	75.6	10%	0.099	47%	0.474	C	S	.	.	H	α-helix	trans	-61.9	-37.1	175.7	-76.3	165.3	0	0	0	110.5	C9 V10 L11 G17 F164 A168 L169 L182	C9-L13 PolarHBondContact O-N 3.18Å; V10-L13 WeakPolarHBondContact O-CA 3.33Å; V10-L13 VanDerWaalsContact O-CB 3.3Å; V10-L13 WeakPolarHBondContact O-CB 3.44Å; V10-L13 PolarHBondContact O-N 3.4Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L13 PolarHBondContact O-N 2.89Å; L13-G17 PolarHBondContact O-N 2.66Å; L13-F164 HydrophobicContact CD1-CD1 4.11Å; L13-F164 HydrophobicContact CD1-CE1 4.44Å; L13-F164 HydrophobicContact CD1-CG 4.45Å; L13-A168 HydrophobicContact CD1-CB 4.18Å; L13-A168 HydrophobicContact CD2-CB 4.46Å; L13-A168 WeakPolarHBondContact CD2-O 3.41Å; L13-L169 HydrophobicContact CB-CD2 4.3Å; L13-L169 HydrophobicContact CD2-CD2 4.21Å; L13-L169 HydrophobicContact CG-CD2 3.83Å; L13-L182 HydrophobicContact CB-CD1 4.1Å; L13-L182 HydrophobicContact CD1-CD1 4.02Å; L13-L182 HydrophobicContact CD1-CD2 4.48Å
14	L	69.8	Low	59	Low	69 Å²	69	75.8 Å²	75.8	36%	0.361	48%	0.484	S	S	.	.	H	α-helix	trans	-69.6	-36.9	177.7	-59.2	-178.7	0	0	0	113	V10 L11 G12 A179	V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 2.98Å; L11-L14 WeakPolarHBondContact O-CB 3.47Å; L11-L14 PolarHBondContact O-N 3.19Å; G12-L14 PolarHBondContact O-N 3.04Å; L14-A179 HydrophobicContact CD2-CB 3.08Å; L14-A179 HydrophobicContact CG-CB 4.5Å
15	L	64	Low	57.8	Low	145 Å²	145	80.6 Å²	80.6	76%	0.759	49%	0.493	S	S	*	.	H	α-helix	trans	-87.1	-28.1	-176.1	-67.4	169.6	0	0	0	113.1	L11 G12	L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.69Å; G12-L15 PolarHBondContact O-N 3.39Å
16	C	56.9	Low	56.5	Low	92 Å²	92	86.7 Å²	86.7	62%	0.622	52%	0.516	S	S	*	.	H	α-helix	trans	-93.2	-9.4	176	-65.5	0	0	0	0	113.1	G12	G12-C16 VanDerWaalsContact O-CB 3.25Å; G12-C16 WeakPolarHBondContact O-CB 3.31Å; G12-C16 PolarHBondContact O-N 2.8Å; G12-C16 PolarHBondContact O-SG 3.49Å
17	G	47.3	Very low	55.6	Low	35 Å²	35	91.8 Å²	91.8	36%	0.361	54%	0.537	S	S	.	.	S	Bend	trans	-61.4	130.9	169.4	0	0	0	0	0	108.7	L13 A19	L13-G17 PolarHBondContact O-N 2.66Å; G17-A19 PolarHBondContact O-N 3.07Å
18	P	42.5	Very low	54.2	Low	90 Å²	90	97.4 Å²	97.4	58%	0.584	56%	0.561	S	S	*	*			trans	-57.9	125	173.5	25.4	-30.3	0	0	0	106.7	S20	P18-S20 VanDerWaalsContact C-N 3.34Å; P18-S20 PolarHBondContact O-N 2.87Å; P18-S20 PolarHBondContact O-OG 2.83Å
19	A	42.1	Very low	52.8	Low	94 Å²	94	97 Å²	97	78%	0.777	57%	0.567	S	S	*	*			trans	-45.2	113.7	154.6	0	0	0	0	0	104.1	G17 P21	G17-A19 PolarHBondContact O-N 3.07Å; A19-P21 VanDerWaalsContact C-CD 3.42Å; A19-P21 WeakPolarHBondContact O-CD 3.43Å
20	S	40.8	Very low	51.8	Low	106 Å²	106	98.9 Å²	98.9	74%	0.741	59%	0.589	S	S	*	*			trans	-87	93.1	-176.1	-70.8	0	0	0	0	106.4	P18 G22	P18-S20 VanDerWaalsContact C-N 3.34Å; P18-S20 PolarHBondContact O-N 2.87Å; P18-S20 PolarHBondContact O-OG 2.83Å; S20-G22 PolarHBondContact O-N 3.3Å
21	P	38.3	Very low	52.1	Low	91 Å²	91	106.3 Å²	106.3	59%	0.591	63%	0.627	S	S	*	*			trans	-61.4	132.1	148.2	31.7	-30.7	0	0	0	104.2	A19 L23	A19-P21 VanDerWaalsContact C-CD 3.42Å; A19-P21 WeakPolarHBondContact O-CD 3.43Å; P21-L23 HydrophobicContact CB-CD1 3.99Å; P21-L23 HydrophobicContact CG-CD1 3.74Å; P21-L23 PolarHBondContact O-N 3.1Å
22	G	43.3	Very low	53.1	Low	84 Å²	84	105.1 Å²	105.1	87%	0.866	62%	0.619	S	S	*	*			trans	-55.4	90.7	171.2	0	0	0	0	0	109.5	S20	S20-G22 PolarHBondContact O-N 3.3Å
23	L	36.8	Very low	54.4	Low	138 Å²	138	111.4 Å²	111.4	72%	0.723	64%	0.642	S	S	*	*			trans	-109.9	93.5	164.5	-96	100.6	0	0	0	105.3	P21 R25	P21-L23 HydrophobicContact CB-CD1 3.99Å; P21-L23 HydrophobicContact CG-CD1 3.74Å; P21-L23 PolarHBondContact O-N 3.1Å; L23-R25 PolarHBondContact O-N 3.26Å
24	S	42.1	Very low	55.7	Low	111 Å²	111	110.7 Å²	110.7	78%	0.776	64%	0.638	S	S	*	*			trans	-44.4	95.9	149.1	49.5	0	0	0	0	107.9	L26	S24-L26 PolarHBondContact O-N 3.12Å
25	R	41.6	Very low	57.1	Low	230 Å²	230	107.5 Å²	107.5	87%	0.868	62%	0.621	S	S	*	*			trans	-55.5	116.8	167.7	-146.4	176.9	-171.1	179.8	2.1	104.9	L23 Y27	L23-R25 PolarHBondContact O-N 3.26Å; R25-Y27 PolarHBondContact O-N 2.78Å
26	L	39.8	Very low	58.7	Low	164 Å²	164	100.6 Å²	100.6	86%	0.859	59%	0.585	S	S	*	*			trans	-49.1	109.3	178.2	-82.6	157.3	0	0	0	107.7	S24 E28	S24-L26 PolarHBondContact O-N 3.12Å; L26-E28 VanDerWaalsContact C-N 3.25Å; L26-E28 PolarHBondContact O-N 3.06Å
27	Y	45.9	Very low	60.7	Low	175 Å²	175	96.2 Å²	96.2	69%	0.686	56%	0.556	S	S	*	*			trans	-75.5	81.4	-177.4	-140.7	-87.2	0	0	0	106.5	R25 R280	R25-Y27 PolarHBondContact O-N 2.78Å; Y27-R280 WeakPolarHBondContact OH-CD 3.24Å
28	E	45.1	Very low	63.2	Low	178 Å²	178	94.5 Å²	94.5	83%	0.832	54%	0.538	S	S	*	.			trans	-81.6	122.6	176	-95.4	-172.6	162.1	0	0	111.6	L26	L26-E28 VanDerWaalsContact C-N 3.25Å; L26-E28 PolarHBondContact O-N 3.06Å
29	S	46.7	Very low	65.9	Low	96 Å²	96	90.2 Å²	90.2	67%	0.671	51%	0.511	S	S	*	.	S	Bend	trans	92.2	83.5	168.1	81.3	0	0	0	0	118.9
30	G	58.8	Low	68.6	Low	57 Å²	57	85.9 Å²	85.9	59%	0.588	47%	0.474	S	S	*	.			trans	86.5	143.5	151.5	0	0	0	0	0	116.9	K32	G30-K32 PolarHBondContact O-N 3.09Å
31	I	80.1	Confident	71.3	Confident	159 Å²	159	80.9 Å²	80.9	82%	0.815	44%	0.439	S	S	*	.			trans	-65.4	101.2	170.8	-59.7	171.3	0	0	0	108.3
32	K	92.9	Very high	74.1	Confident	60 Å²	60	80.9 Å²	80.9	26%	0.261	43%	0.43	S	S	.	.			trans	-75.7	134.3	176.1	-64.5	-68.9	-172.5	162	0	110.8	G30 P34 R280 N282 N283	G30-K32 PolarHBondContact O-N 3.09Å; K32-P34 WeakPolarHBondContact O-CD 3.38Å; K32-R280 HydrophobicContact CB-CB 4.38Å; K32-R280 HydrophobicContact CB-CG 4.12Å; K32-R280 HydrophobicContact CG-CB 4.46Å; K32-N282 PolarHBondContact NZ-O 2.66Å; K32-N283 PolarHBondContact NZ-OD1 3.36Å
33	K	96.4	Very high	76.6	Confident	147 Å²	147	77.2 Å²	77.2	64%	0.639	39%	0.391	S	S	*	.			trans	-121.5	67.2	177.2	-62.1	-178.7	-177.8	178.4	0	110.4	R70	K33-R70 PolarHBondContact O-NH2 2.96Å; K33-R70 VanDerWaalsContact O-NH2 3.17Å
34	P	98.4	Very high	79	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.019	37%	0.374	C	S	.	.			trans	-59.5	141.2	-167.6	26.1	-34.8	0	0	0	112.1	K32 A69 R70 N91 V276 A279 R280	K32-P34 WeakPolarHBondContact O-CD 3.38Å; P34-A69 HydrophobicContact CB-CB 4.46Å; P34-A69 HydrophobicContact CG-CB 4.09Å; P34-A69 WeakPolarHBondContact O-CA 3.38Å; P34-R70 PolarHBondContact O-N 2.99Å; P34-N91 WeakPolarHBondContact CA-OD1 3.4Å; P34-N91 HydrophobicContact CB-CB 4.27Å; P34-V276 HydrophobicContact CG-CG1 3.69Å; P34-A279 HydrophobicContact CB-CB 4.17Å; P34-R280 HydrophobicContact CB-CG 4.41Å; P34-R280 HydrophobicContact CG-CG 3.96Å
35	I	98.9	Very high	81.2	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.6	175	-56.7	177.7	0	0	0	107.6	R70 V72 I90 N91 Y286 E292 L296	I35-R70 CarbonylContact C-O 3.57Å; I35-R70 WeakPolarHBondContact CA-O 3.4Å; I35-R70 HydrophobicContact CG1-CB 4.4Å; I35-V72 HydrophobicContact CG2-CB 4.25Å; I35-V72 HydrophobicContact CG2-CG2 3.37Å; I35-I90 HydrophobicContact CG2-CG2 4.13Å; I35-N91 PolarHBondContact N-OD1 3.32Å; I35-N91 PolarHBondContact O-N 2.79Å; I35-Y286 HydrophobicContact CD1-CD2 3.89Å; I35-Y286 HydrophobicContact CD1-CE2 3.92Å; I35-E292 HydrophobicContact CD1-CG 3.65Å; I35-L296 HydrophobicContact CD1-CD2 4.41Å; I35-L296 HydrophobicContact CG2-CD2 4.25Å
36	I	98.9	Very high	83.6	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.1	-179.1	-66.8	176.8	0	0	0	109.3	I64 A69 R70 V71 V72 G92 L94 F275 V276 A279	I36-I64 HydrophobicContact CB-CG2 4.08Å; I36-I64 HydrophobicContact CD1-CD1 4.35Å; I36-I64 HydrophobicContact CD1-CG2 4.09Å; I36-I64 HydrophobicContact CG2-CD1 4.49Å; I36-A69 HydrophobicContact CD1-CB 4.08Å; I36-A69 HydrophobicContact CG1-CB 4.36Å; I36-R70 PolarHBondContact N-O 3.13Å; I36-V71 WeakPolarHBondContact O-CA 3.37Å; I36-V72 PolarHBondContact O-N 3.46Å; I36-G92 WeakPolarHBondContact CA-O 3.37Å; I36-L94 HydrophobicContact CG2-CB 4.48Å; I36-F275 HydrophobicContact CD1-CD1 4.04Å; I36-F275 HydrophobicContact CD1-CE1 3.83Å; I36-F275 HydrophobicContact CD1-CZ 4.38Å; I36-F275 HydrophobicContact CG2-CE1 3.78Å; I36-F275 HydrophobicContact CG2-CZ 4.2Å; I36-V276 HydrophobicContact CD1-CG2 3.9Å; I36-A279 HydrophobicContact CD1-CB 3.87Å; I36-A279 HydrophobicContact CG1-CB 4Å
37	G	98.9	Very high	86.1	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.4	172.5	0	0	0	0	0	111.3	V72 G92 I93 L94	G37-V72 CarbonylContact C-O 3.39Å; G37-V72 VanDerWaalsContact CA-O 3.27Å; G37-V72 WeakPolarHBondContact CA-O 3.38Å; G37-G92 PolarHBondContact N-O 3.18Å; G37-I93 CarbonylContact O-C 3.49Å; G37-I93 WeakPolarHBondContact O-CA 3.32Å; G37-L94 PolarHBondContact O-N 3.22Å
38	I	98.9	Very high	88.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.8	168.1	-58.8	-178.7	0	0	0	108.8	M40 I56 V61 I64 V71 V72 I74 L94 P96	I38-M40 PolarHBondContact O-N 2.93Å; I38-I56 HydrophobicContact CB-CD1 4.27Å; I38-I56 HydrophobicContact CG2-CD1 4.14Å; I38-I56 HydrophobicContact CG2-CG1 4.35Å; I38-I56 HydrophobicContact CG2-CG2 3.75Å; I38-I56 WeakPolarHBondContact O-CD1 3.46Å; I38-V61 HydrophobicContact CD1-CG2 4.24Å; I38-I64 HydrophobicContact CD1-CG1 4.16Å; I38-V71 HydrophobicContact CB-CG1 4.28Å; I38-V71 HydrophobicContact CD1-CB 4.44Å; I38-V71 HydrophobicContact CD1-CG1 3.59Å; I38-V71 HydrophobicContact CD1-CG2 3.94Å; I38-V71 HydrophobicContact CG1-CG1 3.78Å; I38-V72 PolarHBondContact N-O 2.97Å; I38-I74 PolarHBondContact O-N 2.8Å; I38-L94 HydrophobicContact CG1-CB 4.33Å; I38-L94 HydrophobicContact CG2-CD2 4.14Å; I38-P96 HydrophobicContact CG2-CG 4.19Å
39	L	98.9	Very high	90.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.2	-175.1	-166.9	59.7	0	0	0	112.1	I74 I76 L94 F95 P96 Y107 V110 A111	L39-I74 HydrophobicContact CD1-CB 4.07Å; L39-I74 HydrophobicContact CD1-CG2 3.82Å; L39-I76 HydrophobicContact CD1-CG2 3.7Å; L39-I76 HydrophobicContact CG-CG2 4.19Å; L39-L94 PolarHBondContact N-O 2.82Å; L39-F95 HydrophobicContact CB-CD1 4.29Å; L39-F95 HydrophobicContact CD2-CD1 3.96Å; L39-F95 HydrophobicContact CD2-CE1 4.29Å; L39-P96 WeakPolarHBondContact O-CD 3.33Å; L39-P96 WeakPolarHBondContact O-CG 3.33Å; L39-Y107 HydrophobicContact CB-CD2 4.43Å; L39-Y107 HydrophobicContact CB-CE2 4.11Å; L39-Y107 HydrophobicContact CD2-CD2 3.56Å; L39-Y107 HydrophobicContact CD2-CE2 3.62Å; L39-Y107 HydrophobicContact CD2-CG 4.03Å; L39-Y107 WeakPolarHBondContact CD2-O 3.15Å; L39-Y107 HydrophobicContact CG-CD2 3.78Å; L39-Y107 HydrophobicContact CG-CE2 3.92Å; L39-V110 HydrophobicContact CD1-CB 3.97Å; L39-V110 HydrophobicContact CD1-CG1 3.49Å; L39-V110 VanDerWaalsContact CD1-CG1 3.49Å; L39-A111 HydrophobicContact CD2-CB 3.97Å
40	M	98.7	Very high	93	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	27%	0.271	C	S	.	.			trans	-70.3	159	171.3	-67.3	-176.7	-166.6	0	0	111.4	I38 Y54 I56 P73 I74 R75 I76 Y107 F317	I38-M40 PolarHBondContact O-N 2.93Å; M40-Y54 HydrophobicContact SD-CG 4.49Å; M40-I56 HydrophobicContact CB-CG1 4.38Å; M40-I56 HydrophobicContact CG-CD1 3.73Å; M40-I56 HydrophobicContact CG-CG1 3.9Å; M40-P73 HydrophobicContact CE-CB 3.65Å; M40-P73 HydrophobicContact CE-CG 4.21Å; M40-I74 WeakPolarHBondContact CB-O 3.24Å; M40-I74 VanDerWaalsContact CG-O 3.27Å; M40-I74 WeakPolarHBondContact CG-O 3.33Å; M40-I74 PolarHBondContact N-O 3.23Å; M40-R75 HydrophobicContact CE-CB 4.48Å; M40-R75 HydrophobicContact CE-CG 3.58Å; M40-R75 HydrophobicContact SD-CB 4.33Å; M40-R75 HydrophobicContact SD-CG 3.86Å; M40-I76 HydrophobicContact CB-CG2 4.42Å; M40-I76 WeakPolarHBondContact O-CG2 3.35Å; M40-Y107 WeakPolarHBondContact O-CD2 3.41Å; M40-F317 HydrophobicContact CE-CB 4.09Å; M40-F317 HydrophobicContact CE-CD1 3.29Å; M40-F317 HydrophobicContact CE-CD2 3.65Å; M40-F317 HydrophobicContact CE-CE1 3.45Å; M40-F317 VanDerWaalsContact CE-CE1 3.45Å; M40-F317 HydrophobicContact CE-CE2 3.81Å; M40-F317 HydrophobicContact CE-CG 3.39Å; M40-F317 HydrophobicContact CE-CZ 3.72Å; M40-F317 HydrophobicContact CG-CD2 4.11Å; M40-F317 HydrophobicContact CG-CE2 4.18Å; M40-F317 HydrophobicContact SD-CB 3.91Å; M40-F317 HydrophobicContact SD-CD1 4.2Å; M40-F317 HydrophobicContact SD-CD2 3.63Å; M40-F317 HydrophobicContact SD-CE2 4.17Å; M40-F317 HydrophobicContact SD-CG 3.65Å
41	Q	98.1	Very high	94.7	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	160.1	169.3	68.6	-172	-90	0	0	110.9	Y54 Y55 G97 V100 Y107	Q41-Y54 CarbonylContact O-C 3.53Å; Q41-Y54 WeakPolarHBondContact O-CA 3.38Å; Q41-Y55 HydrophobicContact CG-CD1 3.81Å; Q41-Y55 HydrophobicContact CG-CE1 3.26Å; Q41-Y55 PolarHBondContact N-O 3.46Å; Q41-Y55 VanDerWaalsContact N-O 3.13Å; Q41-Y55 WeakPolarHBondContact O-CD1 3.44Å; Q41-Y55 PolarHBondContact O-N 2.85Å; Q41-Y55 PolarHBondContact OE1-OH 3.46Å; Q41-G97 PolarHBondContact NE2-O 3.48Å; Q41-V100 HydrophobicContact CB-CG1 4.28Å; Q41-V100 HydrophobicContact CB-CG2 4.39Å; Q41-Y107 HydrophobicContact CB-CD2 3.92Å
42	K	97.3	Very high	95.4	Very high	91 Å²	91	50 Å²	50	40%	0.396	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	142.9	-179.7	-72.8	179.6	180	164.6	0	111.7	H44 Y54 Y55 I76 V100 D106	K42-H44 PolarHBondContact O-CD2 3.27Å; K42-H44 PolarHBondContact O-N 2.74Å; K42-Y54 HydrophobicContact CG-CD1 3.95Å; K42-Y54 HydrophobicContact CG-CE1 3.93Å; K42-Y55 WeakPolarHBondContact O-CE1 3.4Å; K42-I76 HydrophobicContact CG-CD1 4.24Å; K42-V100 HydrophobicContact CB-CG1 4.47Å; K42-D106 WeakPolarHBondContact CE-OD2 3.28Å; K42-D106 IonicContact NZ-OD2 2.68Å; K42-D106 PolarHBondContact NZ-OD2 3.41Å
43	C	96	Very high	95.6	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.047	24%	0.236	C	C	.	.			trans	-66.3	124.3	173	-72	0	0	0	0	111.8	M48 R49 G52 K53	C43-M48 HydrophobicContact CB-CB 3.91Å; C43-R49 HydrophobicContact CB-CG 3.78Å; C43-R49 VanDerWaalsContact O-CG 3.3Å; C43-R49 WeakPolarHBondContact O-CG 3.48Å; C43-R49 PolarHBondContact O-NH1 2.81Å; C43-G52 PolarHBondContact SG-O 2.95Å; C43-K53 PolarHBondContact N-O 2.75Å
44	H	86.6	Confident	95.7	Very high	77 Å²	77	45.2 Å²	45.2	36%	0.356	21%	0.206	S	C	.	.			trans	-91.3	-33.9	-176.5	-69	-76.1	0	0	0	115.1	K42 R49 S99 V100	K42-H44 PolarHBondContact O-CD2 3.27Å; K42-H44 PolarHBondContact O-N 2.74Å; H44-R49 PolarHBondContact O-NH1 2.89Å; H44-S99 PolarHBondContact CE1-O 3.34Å; H44-S99 VanDerWaalsContact CE1-O 3.3Å; H44-V100 WeakPolarHBondContact CE1-CG1 3.35Å; H44-V100 PolarHBondContact CE1-N 2.87Å; H44-V100 VanDerWaalsContact NE2-CG1 3.29Å; H44-V100 WeakPolarHBondContact NE2-CG1 3.33Å; H44-V100 PolarHBondContact NE2-N 3.02Å
45	T	88.7	Confident	95.7	Very high	52 Å²	52	45.9 Å²	45.9	32%	0.319	21%	0.208	S	C	.	.	S	Bend	trans	-87.5	154.1	-179.3	68.1	0	0	0	0	111.1	E47 M48 R49	T45-E47 PolarHBondContact O-N 3.32Å; T45-M48 PolarHBondContact O-N 3.4Å; T45-M48 VanDerWaalsContact OG1-CB 3.29Å; T45-M48 WeakPolarHBondContact OG1-CB 3.5Å; T45-M48 WeakPolarHBondContact OG1-CG 3.44Å; T45-M48 PolarHBondContact OG1-N 3.26Å; T45-R49 WeakPolarHBondContact O-CG 3.09Å; T45-R49 PolarHBondContact O-N 2.99Å
46	K	91.3	Very high	95.7	Very high	135 Å²	135	45.8 Å²	45.8	59%	0.587	21%	0.208	S	C	*	.	H	α-helix	trans	-62.8	-36	179.2	-175.2	-179.4	-179.2	179.8	0	110.5	K50	K46-K50 WeakPolarHBondContact O-CG 3.29Å; K46-K50 PolarHBondContact O-N 3.14Å
47	E	92.9	Very high	95.6	Very high	83 Å²	83	45.9 Å²	45.9	39%	0.388	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-48.9	179.9	-63.1	62.9	-135.7	0	0	110.3	T45 R49 K50 I308	T45-E47 PolarHBondContact O-N 3.32Å; E47-R49 PolarHBondContact O-N 3.01Å; E47-K50 WeakPolarHBondContact O-CB 3.3Å; E47-K50 PolarHBondContact O-N 3.19Å; E47-I308 HydrophobicContact CB-CB 4.06Å; E47-I308 HydrophobicContact CB-CD1 4.02Å; E47-I308 HydrophobicContact CB-CG2 4.27Å; E47-I308 HydrophobicContact CG-CB 4.38Å; E47-I308 HydrophobicContact CG-CG2 4.27Å
48	M	93.7	Very high	95.6	Very high	8 Å²	8	46 Å²	46	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-38.9	177.8	-70.8	-72.2	-71.8	0	0	112.1	C43 T45 K50 L51 G52 Y55 T305 I308 C314 L316	C43-M48 HydrophobicContact CB-CB 3.91Å; T45-M48 PolarHBondContact O-N 3.4Å; T45-M48 VanDerWaalsContact OG1-CB 3.29Å; T45-M48 WeakPolarHBondContact OG1-CB 3.5Å; T45-M48 WeakPolarHBondContact OG1-CG 3.44Å; T45-M48 PolarHBondContact OG1-N 3.26Å; M48-K50 PolarHBondContact O-N 3.36Å; M48-L51 WeakPolarHBondContact O-CB 3.49Å; M48-L51 PolarHBondContact O-N 3.45Å; M48-G52 PolarHBondContact O-N 3.09Å; M48-G52 VanDerWaalsContact O-N 3.12Å; M48-Y55 HydrophobicContact CE-CD2 4.2Å; M48-Y55 HydrophobicContact CE-CG 4.04Å; M48-T305 HydrophobicContact CE-CG2 4.34Å; M48-T305 HydrophobicContact SD-CG2 3.57Å; M48-T305 VanDerWaalsContact SD-CG2 3.57Å; M48-I308 HydrophobicContact SD-CD1 4.09Å; M48-C314 HydrophobicContact CE-CB 3.73Å; M48-L316 HydrophobicContact CE-CD1 3.78Å; M48-L316 HydrophobicContact CE-CD2 3.65Å; M48-L316 HydrophobicContact CE-CG 4.38Å; M48-L316 HydrophobicContact SD-CD1 4.33Å; M48-L316 HydrophobicContact SD-CD2 4.42Å
49	R	94.4	Very high	95.6	Very high	138 Å²	138	46 Å²	46	52%	0.521	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-24.9	176.8	-79.1	-165.7	-64	-84	-0.5	114	C43 H44 T45 E47 L51 G52	C43-R49 HydrophobicContact CB-CG 3.78Å; C43-R49 VanDerWaalsContact O-CG 3.3Å; C43-R49 WeakPolarHBondContact O-CG 3.48Å; C43-R49 PolarHBondContact O-NH1 2.81Å; H44-R49 PolarHBondContact O-NH1 2.89Å; T45-R49 WeakPolarHBondContact O-CG 3.09Å; T45-R49 PolarHBondContact O-N 2.99Å; E47-R49 PolarHBondContact O-N 3.01Å; R49-L51 VanDerWaalsContact C-N 3.27Å; R49-G52 WeakPolarHBondContact CA-O 3.5Å
50	K	94.3	Very high	95.6	Very high	159 Å²	159	46.2 Å²	46.2	69%	0.691	21%	0.211	S	C	*	.	H	α-helix	trans	-72	-24.5	173.6	-67.5	170.2	-177.7	178.9	0	112.3	K46 E47 M48	K46-K50 WeakPolarHBondContact O-CG 3.29Å; K46-K50 PolarHBondContact O-N 3.14Å; E47-K50 WeakPolarHBondContact O-CB 3.3Å; E47-K50 PolarHBondContact O-N 3.19Å; M48-K50 PolarHBondContact O-N 3.36Å
51	L	94.3	Very high	95.7	Very high	78 Å²	78	46.1 Å²	46.1	41%	0.408	21%	0.211	S	C	.	.	H	α-helix	trans	-93.3	-28.8	-176.7	-58.7	176.4	0	0	0	112.4	M48 R49 V303 I308 L316	M48-L51 WeakPolarHBondContact O-CB 3.49Å; M48-L51 PolarHBondContact O-N 3.45Å; R49-L51 VanDerWaalsContact C-N 3.27Å; L51-V303 HydrophobicContact CD1-CG1 4.27Å; L51-I308 HydrophobicContact CD1-CD1 3.94Å; L51-L316 HydrophobicContact CB-CD1 3.66Å; L51-L316 HydrophobicContact CB-CG 3.85Å
52	G	94.9	Very high	95.7	Very high	7 Å²	7	49.2 Å²	49.2	7%	0.072	22%	0.224	C	C	.	.			trans	-176.2	161.7	-178.2	0	0	0	0	0	112.6	C43 M48 R49 F317	C43-G52 PolarHBondContact SG-O 2.95Å; M48-G52 PolarHBondContact O-N 3.09Å; M48-G52 VanDerWaalsContact O-N 3.12Å; R49-G52 WeakPolarHBondContact CA-O 3.5Å; G52-F317 CarbonylContact C-O 3.58Å
53	K	96.7	Very high	95.8	Very high	104 Å²	104	45 Å²	45	45%	0.452	21%	0.206	S	C	.	.	S	Bend	trans	-78.1	-38.3	178	-172.5	177.7	177	-161.2	0	111.6	C43 F317 R318	C43-K53 PolarHBondContact N-O 2.75Å; K53-F317 PolarHBondContact N-O 3Å; K53-R318 WeakPolarHBondContact CB-OXT 3.43Å
54	Y	98.1	Very high	95.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.9	-178.5	-44.5	-74.1	0	0	0	111.4	M40 Q41 K42 I76 D77 L316 F317	M40-Y54 HydrophobicContact SD-CG 4.49Å; Q41-Y54 CarbonylContact O-C 3.53Å; Q41-Y54 WeakPolarHBondContact O-CA 3.38Å; K42-Y54 HydrophobicContact CG-CD1 3.95Å; K42-Y54 HydrophobicContact CG-CE1 3.93Å; Y54-I76 HydrophobicContact CD1-CD1 3.53Å; Y54-I76 HydrophobicContact CD1-CG1 3.66Å; Y54-I76 HydrophobicContact CE1-CD1 3.56Å; Y54-I76 HydrophobicContact CE1-CG1 3.42Å; Y54-I76 VanDerWaalsContact CE1-CG1 3.42Å; Y54-I76 HydrophobicContact CG-CG1 4.46Å; Y54-D77 PolarHBondContact OH-OD2 2.84Å; Y54-L316 WeakPolarHBondContact O-CA 2.91Å; Y54-F317 PolarHBondContact N-O 3.23Å; Y54-F317 PolarHBondContact O-N 3.45Å
55	Y	98.6	Very high	96.5	Very high	16 Å²	16	43.9 Å²	43.9	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.7	174.4	82.2	-75.3	0	0	0	113.6	Q41 K42 M48 F311 C314 Y315	Q41-Y55 HydrophobicContact CG-CD1 3.81Å; Q41-Y55 HydrophobicContact CG-CE1 3.26Å; Q41-Y55 PolarHBondContact N-O 3.46Å; Q41-Y55 VanDerWaalsContact N-O 3.13Å; Q41-Y55 WeakPolarHBondContact O-CD1 3.44Å; Q41-Y55 PolarHBondContact O-N 2.85Å; Q41-Y55 PolarHBondContact OE1-OH 3.46Å; K42-Y55 WeakPolarHBondContact O-CE1 3.4Å; M48-Y55 HydrophobicContact CE-CD2 4.2Å; M48-Y55 HydrophobicContact CE-CG 4.04Å; Y55-F311 HydrophobicContact CE2-CD2 4.35Å; Y55-F311 AromaticContact CE2-CE2 3.83Å; Y55-F311 HydrophobicContact CE2-CE2 3.83Å; Y55-F311 HydrophobicContact CE2-CZ 4.48Å; Y55-C314 HydrophobicContact CD2-CB 4.44Å; Y55-Y315 CarbonylContact C-O 3.58Å; Y55-Y315 WeakPolarHBondContact CA-O 3.22Å; Y55-Y315 WeakPolarHBondContact CB-O 3.44Å
56	I	98.8	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.1	161.6	-66.9	168.6	0	0	0	106.8	I38 M40 A58 V61 P73 C314 Y315 F317	I38-I56 HydrophobicContact CB-CD1 4.27Å; I38-I56 HydrophobicContact CG2-CD1 4.14Å; I38-I56 HydrophobicContact CG2-CG1 4.35Å; I38-I56 HydrophobicContact CG2-CG2 3.75Å; I38-I56 WeakPolarHBondContact O-CD1 3.46Å; M40-I56 HydrophobicContact CB-CG1 4.38Å; M40-I56 HydrophobicContact CG-CD1 3.73Å; M40-I56 HydrophobicContact CG-CG1 3.9Å; I56-A58 PolarHBondContact O-N 3.35Å; I56-V61 HydrophobicContact CG2-CG2 4.16Å; I56-P73 HydrophobicContact CD1-CB 3.53Å; I56-C314 WeakPolarHBondContact O-CA 3.37Å; I56-Y315 PolarHBondContact N-O 3.37Å; I56-Y315 PolarHBondContact O-N 3.06Å; I56-F317 HydrophobicContact CB-CE2 4.27Å; I56-F317 HydrophobicContact CD1-CE2 4.07Å; I56-F317 HydrophobicContact CD1-CZ 4.23Å; I56-F317 HydrophobicContact CG1-CE2 4.1Å
57	A	98.7	Very high	97.3	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.025	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132.7	172.4	0	0	0	0	0	110.1	S59 Y60 F311	A57-S59 PolarHBondContact O-N 3.19Å; A57-S59 VanDerWaalsContact O-N 3.17Å; A57-Y60 HydrophobicContact CB-CD2 3.98Å; A57-Y60 HydrophobicContact CB-CE2 4.14Å; A57-Y60 PolarHBondContact O-N 3.34Å; A57-F311 HydrophobicContact CB-CB 4.33Å; A57-F311 HydrophobicContact CB-CD1 3.41Å; A57-F311 VanDerWaalsContact CB-CD1 3.41Å; A57-F311 HydrophobicContact CB-CD2 4.09Å; A57-F311 HydrophobicContact CB-CE1 3.54Å; A57-F311 HydrophobicContact CB-CE2 4.22Å; A57-F311 HydrophobicContact CB-CG 3.69Å; A57-F311 HydrophobicContact CB-CZ 3.95Å
58	A	98.9	Very high	97.6	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-21.4	-171.9	0	0	0	0	0	113.2	I56 Y60 V61 K62 Q313 Y315	I56-A58 PolarHBondContact O-N 3.35Å; A58-Y60 VanDerWaalsContact C-N 3.3Å; A58-Y60 PolarHBondContact O-N 2.89Å; A58-V61 WeakPolarHBondContact O-CB 3.48Å; A58-V61 PolarHBondContact O-N 3.14Å; A58-V61 VanDerWaalsContact O-N 3.15Å; A58-K62 WeakPolarHBondContact O-CG 3.44Å; A58-K62 PolarHBondContact O-N 3.49Å; A58-Q313 HydrophobicContact CB-CB 3.66Å; A58-Q313 VanDerWaalsContact CB-O 3.27Å; A58-Q313 WeakPolarHBondContact CB-O 3.28Å; A58-Q313 PolarHBondContact N-O 3.04Å; A58-Y315 HydrophobicContact CB-CD2 4.14Å; A58-Y315 HydrophobicContact CB-CE2 3.88Å
59	S	98.9	Very high	97.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-38	174.1	39.9	0	0	0	0	113.1	A57 V61 K62 Y63 Y250 E251	A57-S59 PolarHBondContact O-N 3.19Å; A57-S59 VanDerWaalsContact O-N 3.17Å; S59-V61 VanDerWaalsContact C-N 3.34Å; S59-V61 PolarHBondContact O-N 2.8Å; S59-K62 PolarHBondContact O-N 3.45Å; S59-Y63 WeakPolarHBondContact O-CB 2.73Å; S59-Y63 PolarHBondContact O-N 3.05Å; S59-Y250 WeakPolarHBondContact O-CD2 3.32Å; S59-E251 WeakPolarHBondContact CB-OE1 3.32Å; S59-E251 PolarHBondContact OG-OE1 2.87Å
60	Y	98.9	Very high	98	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-36	175	-66	-78	0	0	0	112.7	A57 A58 I64 L94 P96 G97 T133 H244 E246	A57-Y60 HydrophobicContact CB-CD2 3.98Å; A57-Y60 HydrophobicContact CB-CE2 4.14Å; A57-Y60 PolarHBondContact O-N 3.34Å; A58-Y60 VanDerWaalsContact C-N 3.3Å; A58-Y60 PolarHBondContact O-N 2.89Å; Y60-I64 WeakPolarHBondContact O-CG1 3.45Å; Y60-I64 PolarHBondContact O-N 3.39Å; Y60-L94 HydrophobicContact CD1-CD1 4.48Å; Y60-L94 HydrophobicContact CD1-CD2 3.7Å; Y60-L94 HydrophobicContact CE1-CD2 4.28Å; Y60-L94 HydrophobicContact CG-CD2 4.3Å; Y60-P96 HydrophobicContact CD1-CB 3.95Å; Y60-P96 HydrophobicContact CD2-CB 3.75Å; Y60-P96 HydrophobicContact CE1-CB 3.79Å; Y60-P96 HydrophobicContact CE2-CB 3.61Å; Y60-P96 HydrophobicContact CG-CB 3.94Å; Y60-G97 WeakPolarHBondContact OH-CA 3.31Å; Y60-G97 PolarHBondContact OH-N 2.64Å; Y60-T133 HydrophobicContact CE1-CG2 3.93Å; Y60-H244 PolarHBondContact OH-CE1 3.39Å; Y60-H244 PolarHBondContact OH-ND1 3.45Å; Y60-E246 HydrophobicContact CD1-CB 4.36Å; Y60-E246 HydrophobicContact CD1-CG 3.95Å; Y60-E246 HydrophobicContact CD2-CG 4.43Å; Y60-E246 HydrophobicContact CE1-CG 3.83Å; Y60-E246 HydrophobicContact CE2-CG 4.3Å; Y60-E246 HydrophobicContact CG-CG 4.24Å; Y60-E246 VanDerWaalsContact CZ-OE1 3.26Å; Y60-E246 PolarHBondContact OH-OE1 3.16Å
61	V	98.9	Very high	98.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-52.5	176.1	-179.8	0	0	0	0	109.6	I38 I56 A58 S59 Y63 I64 E65 V71 I297 Y315	I38-V61 HydrophobicContact CD1-CG2 4.24Å; I56-V61 HydrophobicContact CG2-CG2 4.16Å; A58-V61 WeakPolarHBondContact O-CB 3.48Å; A58-V61 PolarHBondContact O-N 3.14Å; A58-V61 VanDerWaalsContact O-N 3.15Å; S59-V61 VanDerWaalsContact C-N 3.34Å; S59-V61 PolarHBondContact O-N 2.8Å; V61-Y63 VanDerWaalsContact C-N 3.26Å; V61-Y63 PolarHBondContact O-N 3.45Å; V61-I64 PolarHBondContact O-N 2.61Å; V61-E65 HydrophobicContact CG1-CG 4.36Å; V61-E65 WeakPolarHBondContact O-CG 3.4Å; V61-E65 PolarHBondContact O-N 2.6Å; V61-V71 HydrophobicContact CG1-CB 4.27Å; V61-V71 HydrophobicContact CG1-CG2 4.2Å; V61-V71 HydrophobicContact CG2-CG1 4.31Å; V61-I297 HydrophobicContact CG1-CB 4.48Å; V61-I297 HydrophobicContact CG1-CG1 3.98Å; V61-I297 HydrophobicContact CG1-CG2 3.93Å; V61-I297 HydrophobicContact CG2-CD1 4.43Å; V61-I297 HydrophobicContact CG2-CG1 4.1Å; V61-Y315 HydrophobicContact CB-CE2 4.1Å; V61-Y315 HydrophobicContact CG1-CE2 4.33Å; V61-Y315 HydrophobicContact CG2-CD2 3.99Å; V61-Y315 HydrophobicContact CG2-CE2 3.68Å
62	K	98.9	Very high	98.5	Very high	67 Å²	67	20.7 Å²	20.7	29%	0.291	12%	0.117	S	C	.	.	H	α-helix	trans	-58	-39.2	178.3	-65.8	170.5	-174.7	177	0	111.9	A58 S59 E65 A66 Y250	A58-K62 WeakPolarHBondContact O-CG 3.44Å; A58-K62 PolarHBondContact O-N 3.49Å; S59-K62 PolarHBondContact O-N 3.45Å; K62-E65 PolarHBondContact O-N 2.84Å; K62-A66 VanDerWaalsContact O-CB 3.3Å; K62-A66 WeakPolarHBondContact O-CB 3.34Å; K62-A66 PolarHBondContact O-N 3.47Å; K62-Y250 HydrophobicContact CB-CD1 3.89Å; K62-Y250 HydrophobicContact CB-CD2 3.76Å; K62-Y250 HydrophobicContact CB-CE1 3.78Å; K62-Y250 HydrophobicContact CB-CE2 3.69Å; K62-Y250 HydrophobicContact CB-CG 3.91Å; K62-Y250 HydrophobicContact CD-CD1 3.8Å; K62-Y250 HydrophobicContact CD-CE1 4.39Å; K62-Y250 HydrophobicContact CD-CG 3.95Å; K62-Y250 HydrophobicContact CG-CD1 4.45Å; K62-Y250 PolarHBondContact O-OH 3.05Å
63	Y	98.9	Very high	98.7	Very high	3 Å²	3	21 Å²	21	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-48.5	177.3	174.4	-104.2	0	0	0	112.5	S59 V61 L94 P245 E246 Y250 A268 L271 A272	S59-Y63 WeakPolarHBondContact O-CB 2.73Å; S59-Y63 PolarHBondContact O-N 3.05Å; V61-Y63 VanDerWaalsContact C-N 3.26Å; V61-Y63 PolarHBondContact O-N 3.45Å; Y63-L94 HydrophobicContact CD1-CD1 4.44Å; Y63-L94 HydrophobicContact CE1-CD1 4.41Å; Y63-P245 HydrophobicContact CE2-CB 3.93Å; Y63-P245 HydrophobicContact CE2-CG 4.08Å; Y63-E246 HydrophobicContact CD2-CB 4.18Å; Y63-E246 HydrophobicContact CG-CB 4.05Å; Y63-Y250 VanDerWaalsContact N-CE2 3.33Å; Y63-A268 HydrophobicContact CD2-CB 4.42Å; Y63-A268 HydrophobicContact CE2-CB 4.28Å; Y63-A268 WeakPolarHBondContact CE2-O 3.13Å; Y63-L271 VanDerWaalsContact OH-C 3.28Å; Y63-L271 WeakPolarHBondContact OH-CB 3.41Å; Y63-A272 HydrophobicContact CD1-CB 4.28Å; Y63-A272 HydrophobicContact CD2-CB 3.97Å; Y63-A272 HydrophobicContact CE1-CB 3.98Å; Y63-A272 HydrophobicContact CE2-CB 3.68Å; Y63-A272 HydrophobicContact CG-CB 4.27Å; Y63-A272 VanDerWaalsContact O-CB 3.28Å; Y63-A272 WeakPolarHBondContact O-CB 3.47Å; Y63-A272 PolarHBondContact OH-N 3.17Å; Y63-A272 VanDerWaalsContact OH-N 3.15Å
64	I	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.5	-41.6	178.4	-65.7	-58.4	0	0	0	111.7	I36 I38 Y60 V61 A66 A67 A69 V71 L94 F275	I36-I64 HydrophobicContact CB-CG2 4.08Å; I36-I64 HydrophobicContact CD1-CD1 4.35Å; I36-I64 HydrophobicContact CD1-CG2 4.09Å; I36-I64 HydrophobicContact CG2-CD1 4.49Å; I38-I64 HydrophobicContact CD1-CG1 4.16Å; Y60-I64 WeakPolarHBondContact O-CG1 3.45Å; Y60-I64 PolarHBondContact O-N 3.39Å; V61-I64 PolarHBondContact O-N 2.61Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 3.44Å; I64-A67 PolarHBondContact O-N 3.25Å; I64-A69 HydrophobicContact CG2-CB 3.59Å; I64-V71 HydrophobicContact CB-CG2 3.82Å; I64-V71 HydrophobicContact CG2-CG2 3.64Å; I64-L94 HydrophobicContact CD1-CD1 3.94Å; I64-L94 HydrophobicContact CG1-CD1 4.31Å; I64-F275 HydrophobicContact CD1-CD1 3.71Å; I64-F275 HydrophobicContact CD1-CE1 3.98Å
65	E	98.9	Very high	98.8	Very high	60 Å²	60	19.2 Å²	19.2	28%	0.28	11%	0.108	S	C	.	.	H	α-helix	trans	-65.9	-34.7	-179.2	-69.9	-170.6	144.8	0	0	113	V61 K62 A67 G68 A69 V71 Y298	V61-E65 HydrophobicContact CG1-CG 4.36Å; V61-E65 WeakPolarHBondContact O-CG 3.4Å; V61-E65 PolarHBondContact O-N 2.6Å; K62-E65 PolarHBondContact O-N 2.84Å; E65-A67 PolarHBondContact O-N 3.34Å; E65-A67 VanDerWaalsContact O-N 3.13Å; E65-G68 PolarHBondContact O-N 3.14Å; E65-A69 WeakPolarHBondContact CA-O 3.47Å; E65-V71 HydrophobicContact CG-CG2 4.34Å; E65-Y298 WeakPolarHBondContact OE1-CE1 3.3Å; E65-Y298 VanDerWaalsContact OE1-CZ 3.25Å; E65-Y298 PolarHBondContact OE1-OH 2.84Å
66	A	98.6	Very high	98.7	Very high	47 Å²	47	18.9 Å²	18.9	39%	0.388	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.3	176.6	0	0	0	0	0	113.5	K62 I64 Y250 F269	K62-A66 VanDerWaalsContact O-CB 3.3Å; K62-A66 WeakPolarHBondContact O-CB 3.34Å; K62-A66 PolarHBondContact O-N 3.47Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 3.44Å; A66-Y250 WeakPolarHBondContact CB-OH 3.44Å; A66-F269 WeakPolarHBondContact O-CE2 3.43Å
67	A	98.6	Very high	98.7	Very high	7 Å²	7	22.1 Å²	22.1	6%	0.058	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	8.6	177.4	0	0	0	0	0	114	I64 E65 A272 D273 V276 R280	I64-A67 PolarHBondContact O-N 3.25Å; E65-A67 PolarHBondContact O-N 3.34Å; E65-A67 VanDerWaalsContact O-N 3.13Å; A67-A272 HydrophobicContact CB-CB 3.63Å; A67-A272 WeakPolarHBondContact CB-O 3.39Å; A67-D273 HydrophobicContact CB-CB 4.43Å; A67-V276 HydrophobicContact CB-CB 4.04Å; A67-V276 HydrophobicContact CB-CG2 3.58Å; A67-R280 PolarHBondContact O-NH2 3.2Å; A67-R280 VanDerWaalsContact O-NH2 3.07Å
68	G	98.4	Very high	98.6	Very high	48 Å²	48	24.6 Å²	24.6	50%	0.495	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	35.5	174.9	0	0	0	0	0	114.4	E65	E65-G68 PolarHBondContact O-N 3.14Å
69	A	98.8	Very high	98.6	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.041	16%	0.156	C	C	.	.			trans	-115.7	157.3	166.6	0	0	0	0	0	111.2	P34 I36 I64 E65 V276	P34-A69 HydrophobicContact CB-CB 4.46Å; P34-A69 HydrophobicContact CG-CB 4.09Å; P34-A69 WeakPolarHBondContact O-CA 3.38Å; I36-A69 HydrophobicContact CD1-CB 4.08Å; I36-A69 HydrophobicContact CG1-CB 4.36Å; I64-A69 HydrophobicContact CG2-CB 3.59Å; E65-A69 WeakPolarHBondContact CA-O 3.47Å; A69-V276 HydrophobicContact CB-CB 4.39Å; A69-V276 HydrophobicContact CB-CG1 3.75Å; A69-V276 HydrophobicContact CB-CG2 3.63Å
70	R	98.8	Very high	98.5	Very high	56 Å²	56	32 Å²	32	21%	0.211	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	158.1	169.4	-65.6	172.3	-68.5	165	5.7	109.6	K33 P34 I35 I36 E292 L296 Y298	K33-R70 PolarHBondContact O-NH2 2.96Å; K33-R70 VanDerWaalsContact O-NH2 3.17Å; P34-R70 PolarHBondContact O-N 2.99Å; I35-R70 CarbonylContact C-O 3.57Å; I35-R70 WeakPolarHBondContact CA-O 3.4Å; I35-R70 HydrophobicContact CG1-CB 4.4Å; I36-R70 PolarHBondContact N-O 3.13Å; R70-E292 IonicContact CZ-OE1 3.16Å; R70-E292 IonicContact NH1-OE1 2.62Å; R70-E292 PolarHBondContact NH1-OE1 3.22Å; R70-E292 IonicContact NH2-OE1 2.91Å; R70-E292 PolarHBondContact NH2-OE1 3.43Å; R70-L296 HydrophobicContact CB-CD2 3.92Å; R70-Y298 HydrophobicContact CG-CE2 4.25Å
71	V	98.9	Very high	98.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.9	-175.9	172.4	0	0	0	0	111.8	I36 I38 V61 I64 E65 L296 I297	I36-V71 WeakPolarHBondContact O-CA 3.37Å; I38-V71 HydrophobicContact CB-CG1 4.28Å; I38-V71 HydrophobicContact CD1-CB 4.44Å; I38-V71 HydrophobicContact CD1-CG1 3.59Å; I38-V71 HydrophobicContact CD1-CG2 3.94Å; I38-V71 HydrophobicContact CG1-CG1 3.78Å; V61-V71 HydrophobicContact CG1-CB 4.27Å; V61-V71 HydrophobicContact CG1-CG2 4.2Å; V61-V71 HydrophobicContact CG2-CG1 4.31Å; I64-V71 HydrophobicContact CB-CG2 3.82Å; I64-V71 HydrophobicContact CG2-CG2 3.64Å; E65-V71 HydrophobicContact CG-CG2 4.34Å; V71-L296 WeakPolarHBondContact O-CA 3.39Å; V71-I297 HydrophobicContact CB-CB 4.13Å; V71-I297 HydrophobicContact CB-CG2 3.92Å; V71-I297 HydrophobicContact CG1-CB 4.14Å; V71-I297 HydrophobicContact CG1-CG1 4.5Å; V71-I297 HydrophobicContact CG1-CG2 4.45Å; V71-I297 PolarHBondContact O-N 3.05Å
72	V	98.9	Very high	98.4	Very high	3 Å²	3	42 Å²	42	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125	165.8	170.3	0	0	0	0	108.5	I35 I36 G37 I38 I74 L86 I90 Y286 L296	I35-V72 HydrophobicContact CG2-CB 4.25Å; I35-V72 HydrophobicContact CG2-CG2 3.37Å; I36-V72 PolarHBondContact O-N 3.46Å; G37-V72 CarbonylContact C-O 3.39Å; G37-V72 VanDerWaalsContact CA-O 3.27Å; G37-V72 WeakPolarHBondContact CA-O 3.38Å; I38-V72 PolarHBondContact N-O 2.97Å; V72-I74 HydrophobicContact CG1-CD1 3.93Å; V72-I74 PolarHBondContact O-N 3.15Å; V72-L86 HydrophobicContact CG1-CD2 4.39Å; V72-I90 HydrophobicContact CB-CG2 4.39Å; V72-I90 HydrophobicContact CG2-CG2 4.39Å; V72-Y286 HydrophobicContact CG2-CE2 4.43Å; V72-L296 HydrophobicContact CG2-CD2 4.05Å
73	P	98.8	Very high	98.4	Very high	12 Å²	12	39.1 Å²	39.1	8%	0.078	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.4	174.4	33.1	-33.4	0	0	0	110.2	M40 I56 R75 S295 I297 F300 F317	M40-P73 HydrophobicContact CE-CB 3.65Å; M40-P73 HydrophobicContact CE-CG 4.21Å; I56-P73 HydrophobicContact CD1-CB 3.53Å; P73-R75 PolarHBondContact O-N 3.1Å; P73-S295 WeakPolarHBondContact CD-O 3.32Å; P73-I297 HydrophobicContact CB-CD1 4.02Å; P73-I297 HydrophobicContact CG-CD1 3.92Å; P73-F300 HydrophobicContact CG-CD2 4.02Å; P73-F300 HydrophobicContact CG-CE2 3.68Å; P73-F300 HydrophobicContact CG-CZ 4.16Å; P73-F317 HydrophobicContact CB-CE1 3.88Å; P73-F317 HydrophobicContact CB-CE2 4.49Å; P73-F317 HydrophobicContact CB-CZ 3.62Å; P73-F317 HydrophobicContact CG-CE1 3.87Å; P73-F317 HydrophobicContact CG-CZ 4.07Å
74	I	98.8	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.4	-177.2	-52.3	-62.9	0	0	0	109.1	I38 L39 M40 V72 Y83 L86 I90 I93 V110 F114	I38-I74 PolarHBondContact O-N 2.8Å; L39-I74 HydrophobicContact CD1-CB 4.07Å; L39-I74 HydrophobicContact CD1-CG2 3.82Å; M40-I74 WeakPolarHBondContact CB-O 3.24Å; M40-I74 VanDerWaalsContact CG-O 3.27Å; M40-I74 WeakPolarHBondContact CG-O 3.33Å; M40-I74 PolarHBondContact N-O 3.23Å; V72-I74 HydrophobicContact CG1-CD1 3.93Å; V72-I74 PolarHBondContact O-N 3.15Å; I74-Y83 HydrophobicContact CG2-CE1 4.32Å; I74-L86 HydrophobicContact CD1-CD1 4.24Å; I74-L86 HydrophobicContact CD1-CD2 4.47Å; I74-I90 HydrophobicContact CD1-CD1 4.02Å; I74-I93 HydrophobicContact CG1-CD1 4.23Å; I74-V110 HydrophobicContact CG2-CG1 4.25Å; I74-F114 HydrophobicContact CD1-CZ 4.44Å; I74-F114 HydrophobicContact CG2-CE2 3.79Å; I74-F114 HydrophobicContact CG2-CZ 4.07Å
75	R	98.4	Very high	98.3	Very high	70 Å²	70	40.7 Å²	40.7	26%	0.264	23%	0.228	S	C	.	.			trans	-63.4	159	175	-70.2	-172.7	66.8	92	-0.5	111.3	M40 P73 D77 L78 Y83 R318	M40-R75 HydrophobicContact CE-CB 4.48Å; M40-R75 HydrophobicContact CE-CG 3.58Å; M40-R75 HydrophobicContact SD-CB 4.33Å; M40-R75 HydrophobicContact SD-CG 3.86Å; P73-R75 PolarHBondContact O-N 3.1Å; R75-D77 IonicContact CZ-OD1 2.78Å; R75-D77 VanDerWaalsContact CZ-OD1 3.27Å; R75-D77 IonicContact CZ-OD2 3.95Å; R75-D77 IonicContact NE-OD1 2.6Å; R75-D77 PolarHBondContact NE-OD1 3.4Å; R75-D77 IonicContact NE-OD2 3.47Å; R75-D77 VanDerWaalsContact NH2-CG 3.3Å; R75-D77 IonicContact NH2-OD1 3.27Å; R75-D77 PolarHBondContact NH2-OD1 3.16Å; R75-D77 VanDerWaalsContact NH2-OD1 3.07Å; R75-D77 IonicContact NH2-OD2 3.71Å; R75-D77 PolarHBondContact NH2-OD2 3.07Å; R75-L78 HydrophobicContact CB-CD1 4.05Å; R75-L78 HydrophobicContact CB-CD2 4.05Å; R75-L78 HydrophobicContact CB-CG 3.79Å; R75-Y83 WeakPolarHBondContact O-CE1 3.34Å; R75-Y83 PolarHBondContact O-OH 3.29Å; R75-R318 PolarHBondContact NH1-O 2.92Å; R75-R318 PolarHBondContact NH2-O 2.72Å
76	I	97.9	Very high	98.3	Very high	8 Å²	8	39 Å²	39	4%	0.041	22%	0.221	C	C	.	.	S	Bend	trans	-113.9	19.6	-179.5	61.1	-178.9	0	0	0	113.5	L39 M40 K42 Y54 Y83 D106 V110	L39-I76 HydrophobicContact CD1-CG2 3.7Å; L39-I76 HydrophobicContact CG-CG2 4.19Å; M40-I76 HydrophobicContact CB-CG2 4.42Å; M40-I76 WeakPolarHBondContact O-CG2 3.35Å; K42-I76 HydrophobicContact CG-CD1 4.24Å; Y54-I76 HydrophobicContact CD1-CD1 3.53Å; Y54-I76 HydrophobicContact CD1-CG1 3.66Å; Y54-I76 HydrophobicContact CE1-CD1 3.56Å; Y54-I76 HydrophobicContact CE1-CG1 3.42Å; Y54-I76 VanDerWaalsContact CE1-CG1 3.42Å; Y54-I76 HydrophobicContact CG-CG1 4.46Å; I76-Y83 VanDerWaalsContact C-OH 3.22Å; I76-Y83 WeakPolarHBondContact CA-OH 3.19Å; I76-D106 HydrophobicContact CB-CB 3.87Å; I76-D106 HydrophobicContact CD1-CB 4.03Å; I76-D106 HydrophobicContact CG1-CB 4.06Å; I76-D106 WeakPolarHBondContact O-CB 3.3Å; I76-V110 HydrophobicContact CB-CG2 4.3Å; I76-V110 HydrophobicContact CG2-CB 4.42Å; I76-V110 HydrophobicContact CG2-CG2 4.31Å
77	D	97	Very high	98.3	Very high	69 Å²	69	37.5 Å²	37.5	37%	0.369	21%	0.206	S	C	.	.	S	Bend	trans	-138.7	25.4	-177.5	63.1	-14.2	0	0	0	112.9	Y54 R75 Y83	Y54-D77 PolarHBondContact OH-OD2 2.84Å; R75-D77 IonicContact CZ-OD1 2.78Å; R75-D77 VanDerWaalsContact CZ-OD1 3.27Å; R75-D77 IonicContact CZ-OD2 3.95Å; R75-D77 IonicContact NE-OD1 2.6Å; R75-D77 PolarHBondContact NE-OD1 3.4Å; R75-D77 IonicContact NE-OD2 3.47Å; R75-D77 VanDerWaalsContact NH2-CG 3.3Å; R75-D77 IonicContact NH2-OD1 3.27Å; R75-D77 PolarHBondContact NH2-OD1 3.16Å; R75-D77 VanDerWaalsContact NH2-OD1 3.07Å; R75-D77 IonicContact NH2-OD2 3.71Å; R75-D77 PolarHBondContact NH2-OD2 3.07Å; D77-Y83 PolarHBondContact N-OH 3.04Å
78	L	97.8	Very high	98.3	Very high	54 Å²	54	43.9 Å²	43.9	28%	0.283	23%	0.228	S	C	.	.			trans	-88.3	168.4	175.1	-53	178.4	0	0	0	112.4	R75 D82 Y83 L86	R75-L78 HydrophobicContact CB-CD1 4.05Å; R75-L78 HydrophobicContact CB-CD2 4.05Å; R75-L78 HydrophobicContact CB-CG 3.79Å; L78-D82 HydrophobicContact CB-CB 3.77Å; L78-D82 HydrophobicContact CD1-CB 4.23Å; L78-D82 HydrophobicContact CG-CB 4.49Å; L78-Y83 HydrophobicContact CB-CD1 4.32Å; L78-Y83 HydrophobicContact CB-CE1 3.81Å; L78-Y83 HydrophobicContact CB-CE2 4.03Å; L78-Y83 HydrophobicContact CD1-CD1 4.29Å; L78-Y83 HydrophobicContact CD1-CE1 3.93Å; L78-Y83 HydrophobicContact CG-CE1 4.11Å; L78-Y83 PolarHBondContact N-OH 2.84Å; L78-Y83 VanDerWaalsContact O-CE2 3.25Å; L78-Y83 WeakPolarHBondContact O-CE2 3.47Å; L78-L86 HydrophobicContact CD1-CD1 3.48Å; L78-L86 VanDerWaalsContact CD1-CD1 3.48Å
79	T	98.2	Very high	98.3	Very high	69 Å²	69	42.3 Å²	42.3	42%	0.423	21%	0.209	S	C	.	.			trans	-77.2	166.8	173.8	68.2	0	0	0	0	112	E81 D82 Y83	T79-E81 VanDerWaalsContact C-N 3.27Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-D82 WeakPolarHBondContact CB-OD2 3.4Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 VanDerWaalsContact N-OD2 3.12Å; T79-D82 PolarHBondContact O-N 3.3Å; T79-D82 PolarHBondContact OG1-N 3.02Å; T79-D82 VanDerWaalsContact OG1-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 3.06Å; T79-Y83 WeakPolarHBondContact O-CD2 3Å; T79-Y83 PolarHBondContact O-N 3.18Å; T79-Y83 VanDerWaalsContact O-N 3.09Å
80	Q	97.3	Very high	98.3	Very high	89 Å²	89	42 Å²	42	42%	0.416	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-35.6	176.5	-70.6	-65	-4.6	0	0	111.9	Y83 A84	Q80-Y83 PolarHBondContact O-N 2.82Å; Q80-A84 WeakPolarHBondContact O-CB 3.3Å; Q80-A84 PolarHBondContact O-N 2.9Å
81	E	97.9	Very high	98.3	Very high	140 Å²	140	40 Å²	40	65%	0.654	20%	0.2	S	C	*	.	H	α-helix	trans	-64	-43.8	176.6	-65.9	68.5	-151.4	0	0	110.7	T79 A84 G85	T79-E81 VanDerWaalsContact C-N 3.27Å; T79-E81 PolarHBondContact O-N 2.91Å; E81-A84 PolarHBondContact O-N 3.4Å; E81-G85 PolarHBondContact O-N 3.03Å
82	D	98.1	Very high	98.3	Very high	76 Å²	76	40 Å²	40	41%	0.406	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-44.8	175.6	-65	-40.7	0	0	0	111.5	L78 T79 A84 G85 L86	L78-D82 HydrophobicContact CB-CB 3.77Å; L78-D82 HydrophobicContact CD1-CB 4.23Å; L78-D82 HydrophobicContact CG-CB 4.49Å; T79-D82 WeakPolarHBondContact CB-OD2 3.4Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 VanDerWaalsContact N-OD2 3.12Å; T79-D82 PolarHBondContact O-N 3.3Å; T79-D82 PolarHBondContact OG1-N 3.02Å; T79-D82 VanDerWaalsContact OG1-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 3.06Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 3.3Å; D82-G85 PolarHBondContact O-N 2.94Å; D82-L86 WeakPolarHBondContact O-CG 3.22Å; D82-L86 PolarHBondContact O-N 2.9Å
83	Y	98.7	Very high	98.3	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-37	176.2	-68.3	-52.1	0	0	0	112.2	I74 R75 I76 D77 L78 T79 Q80 L86 F87 V110 I113 F114	I74-Y83 HydrophobicContact CG2-CE1 4.32Å; R75-Y83 WeakPolarHBondContact O-CE1 3.34Å; R75-Y83 PolarHBondContact O-OH 3.29Å; I76-Y83 VanDerWaalsContact C-OH 3.22Å; I76-Y83 WeakPolarHBondContact CA-OH 3.19Å; D77-Y83 PolarHBondContact N-OH 3.04Å; L78-Y83 HydrophobicContact CB-CD1 4.32Å; L78-Y83 HydrophobicContact CB-CE1 3.81Å; L78-Y83 HydrophobicContact CB-CE2 4.03Å; L78-Y83 HydrophobicContact CD1-CD1 4.29Å; L78-Y83 HydrophobicContact CD1-CE1 3.93Å; L78-Y83 HydrophobicContact CG-CE1 4.11Å; L78-Y83 PolarHBondContact N-OH 2.84Å; L78-Y83 VanDerWaalsContact O-CE2 3.25Å; L78-Y83 WeakPolarHBondContact O-CE2 3.47Å; T79-Y83 WeakPolarHBondContact O-CD2 3Å; T79-Y83 PolarHBondContact O-N 3.18Å; T79-Y83 VanDerWaalsContact O-N 3.09Å; Q80-Y83 PolarHBondContact O-N 2.82Å; Y83-L86 HydrophobicContact CD1-CD1 4.39Å; Y83-L86 PolarHBondContact O-N 3.44Å; Y83-F87 WeakPolarHBondContact O-CB 3.27Å; Y83-F87 PolarHBondContact O-N 3.26Å; Y83-V110 HydrophobicContact CD1-CG1 4.07Å; Y83-V110 HydrophobicContact CE1-CB 4.48Å; Y83-V110 HydrophobicContact CE1-CG1 3.57Å; Y83-V110 HydrophobicContact CE1-CG2 4.01Å; Y83-V110 HydrophobicContact CE2-CG2 3.86Å; Y83-V110 VanDerWaalsContact CZ-CG2 3.4Å; Y83-V110 WeakPolarHBondContact OH-CG2 3.47Å; Y83-I113 HydrophobicContact CD2-CD1 3.6Å; Y83-I113 HydrophobicContact CE2-CD1 3.89Å; Y83-I113 HydrophobicContact CG-CD1 4.39Å; Y83-I113 HydrophobicContact CG-CG2 4.48Å; Y83-F114 AromaticContact CD1-CE2 3.72Å; Y83-F114 HydrophobicContact CD1-CE2 3.72Å; Y83-F114 HydrophobicContact CD1-CZ 4.37Å; Y83-F114 HydrophobicContact CE1-CE2 4.45Å; Y83-F114 HydrophobicContact CG-CE2 4.36Å
84	A	98.3	Very high	98.3	Very high	16 Å²	16	39.2 Å²	39.2	13%	0.132	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-39.6	173.7	0	0	0	0	0	111.9	Q80 E81 D82 R88	Q80-A84 WeakPolarHBondContact O-CB 3.3Å; Q80-A84 PolarHBondContact O-N 2.9Å; E81-A84 PolarHBondContact O-N 3.4Å; D82-A84 VanDerWaalsContact C-N 3.31Å; D82-A84 PolarHBondContact O-N 3.3Å; A84-R88 WeakPolarHBondContact O-CG 3.35Å; A84-R88 PolarHBondContact O-N 3.4Å; A84-R88 PolarHBondContact O-NH1 3.35Å
85	G	98.1	Very high	98.3	Very high	20 Å²	20	39.2 Å²	39.2	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-47.8	172.9	0	0	0	0	0	112.7	E81 D82 F87 R88 S89	E81-G85 PolarHBondContact O-N 3.03Å; D82-G85 PolarHBondContact O-N 2.94Å; G85-F87 PolarHBondContact O-N 3.48Å; G85-R88 PolarHBondContact O-N 3.09Å; G85-S89 WeakPolarHBondContact O-CB 3.45Å; G85-S89 PolarHBondContact O-N 3.17Å; G85-S89 PolarHBondContact O-OG 2.66Å
86	L	98.6	Very high	98.4	Very high	26 Å²	26	36 Å²	36	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-44.5	176.2	-76.5	170.9	0	0	0	111.9	V72 I74 L78 D82 Y83 R88 S89 I90 F114	V72-L86 HydrophobicContact CG1-CD2 4.39Å; I74-L86 HydrophobicContact CD1-CD1 4.24Å; I74-L86 HydrophobicContact CD1-CD2 4.47Å; L78-L86 HydrophobicContact CD1-CD1 3.48Å; L78-L86 VanDerWaalsContact CD1-CD1 3.48Å; D82-L86 WeakPolarHBondContact O-CG 3.22Å; D82-L86 PolarHBondContact O-N 2.9Å; Y83-L86 HydrophobicContact CD1-CD1 4.39Å; Y83-L86 PolarHBondContact O-N 3.44Å; L86-R88 VanDerWaalsContact C-N 3.34Å; L86-R88 PolarHBondContact O-N 2.93Å; L86-S89 PolarHBondContact O-N 3.45Å; L86-I90 WeakPolarHBondContact O-CG1 3.4Å; L86-I90 PolarHBondContact O-N 3.06Å; L86-F114 HydrophobicContact CB-CZ 4.17Å
87	F	98.8	Very high	98.4	Very high	15 Å²	15	35.7 Å²	35.7	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-45.7	179	-177.8	-91	0	0	0	112.1	Y83 G85 S89 F114 K117 A118 F128 H284	Y83-F87 WeakPolarHBondContact O-CB 3.27Å; Y83-F87 PolarHBondContact O-N 3.26Å; G85-F87 PolarHBondContact O-N 3.48Å; F87-S89 PolarHBondContact O-N 3.12Å; F87-F114 HydrophobicContact CB-CE1 4.14Å; F87-F114 AromaticContact CD2-CD1 3.8Å; F87-F114 HydrophobicContact CD2-CD1 3.8Å; F87-F114 HydrophobicContact CD2-CE1 4.16Å; F87-K117 HydrophobicContact CB-CD 3.89Å; F87-K117 HydrophobicContact CD1-CB 4.18Å; F87-K117 HydrophobicContact CD1-CD 4.28Å; F87-K117 HydrophobicContact CD2-CB 3.58Å; F87-K117 HydrophobicContact CD2-CD 4.07Å; F87-K117 HydrophobicContact CD2-CG 4.47Å; F87-K117 HydrophobicContact CE1-CB 4.07Å; F87-K117 HydrophobicContact CE2-CB 3.46Å; F87-K117 VanDerWaalsContact CE2-CB 3.46Å; F87-K117 HydrophobicContact CG-CB 3.95Å; F87-K117 HydrophobicContact CG-CD 3.8Å; F87-K117 HydrophobicContact CZ-CB 3.73Å; F87-K117 WeakPolarHBondContact CZ-O 3.48Å; F87-A118 HydrophobicContact CE2-CB 4.38Å; F87-F128 HydrophobicContact CD2-CD1 4.4Å; F87-F128 HydrophobicContact CD2-CD2 4.22Å; F87-F128 HydrophobicContact CD2-CE1 4.09Å; F87-F128 AromaticContact CD2-CE2 3.88Å; F87-F128 HydrophobicContact CD2-CE2 3.88Å; F87-F128 HydrophobicContact CD2-CG 4.46Å; F87-F128 AromaticContact CD2-CZ 3.82Å; F87-F128 HydrophobicContact CD2-CZ 3.82Å; F87-F128 HydrophobicContact CE1-CD2 4.32Å; F87-F128 HydrophobicContact CE2-CB 4.24Å; F87-F128 AromaticContact CE2-CD1 3.55Å; F87-F128 HydrophobicContact CE2-CD1 3.55Å; F87-F128 AromaticContact CE2-CD2 3.67Å; F87-F128 HydrophobicContact CE2-CD2 3.67Å; F87-F128 AromaticContact CE2-CE1 3.68Å; F87-F128 HydrophobicContact CE2-CE1 3.68Å; F87-F128 AromaticContact CE2-CE2 3.77Å; F87-F128 HydrophobicContact CE2-CE2 3.77Å; F87-F128 AromaticContact CE2-CG 3.54Å; F87-F128 HydrophobicContact CE2-CG 3.54Å; F87-F128 AromaticContact CE2-CZ 3.78Å; F87-F128 HydrophobicContact CE2-CZ 3.78Å; F87-F128 HydrophobicContact CG-CE2 4.42Å; F87-F128 HydrophobicContact CZ-CB 3.87Å; F87-F128 HydrophobicContact CZ-CD1 4.09Å; F87-F128 AromaticContact CZ-CD2 3.71Å; F87-F128 HydrophobicContact CZ-CD2 3.71Å; F87-F128 HydrophobicContact CZ-CE2 4.21Å; F87-F128 AromaticContact CZ-CG 3.62Å; F87-F128 HydrophobicContact CZ-CG 3.62Å; F87-H284 AromaticContact CE1-CE1 3.77Å; F87-H284 PolarHBondContact O-CE1 3.36Å; F87-H284 PolarHBondContact O-ND1 3.04Å
88	R	98.3	Very high	98.4	Very high	140 Å²	140	33.4 Å²	33.4	53%	0.528	18%	0.175	S	C	.	.	H	α-helix	trans	-67.1	-21.7	176.4	-67.7	-172.3	-62	-91.1	1.7	113.6	A84 G85 L86 H284 R285	A84-R88 WeakPolarHBondContact O-CG 3.35Å; A84-R88 PolarHBondContact O-N 3.4Å; A84-R88 PolarHBondContact O-NH1 3.35Å; G85-R88 PolarHBondContact O-N 3.09Å; L86-R88 VanDerWaalsContact C-N 3.34Å; L86-R88 PolarHBondContact O-N 2.93Å; R88-H284 VanDerWaalsContact O-CB 3.3Å; R88-H284 WeakPolarHBondContact O-CB 3.46Å; R88-R285 PolarHBondContact O-N 3.2Å
89	S	98.6	Very high	98.3	Very high	15 Å²	15	35.5 Å²	35.5	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-93.2	-31.7	-172.7	-58.2	0	0	0	0	113.7	G85 L86 F87 R285	G85-S89 WeakPolarHBondContact O-CB 3.45Å; G85-S89 PolarHBondContact O-N 3.17Å; G85-S89 PolarHBondContact O-OG 2.66Å; L86-S89 PolarHBondContact O-N 3.45Å; F87-S89 PolarHBondContact O-N 3.12Å; S89-R285 CarbonylContact O-C 3.52Å; S89-R285 WeakPolarHBondContact O-CA 3.34Å
90	I	98.8	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.			trans	-99.9	159.3	-179	72.6	-174.9	0	0	0	111.4	I35 V72 I74 L86 G92 F114 F128 H284 Y286	I35-I90 HydrophobicContact CG2-CG2 4.13Å; V72-I90 HydrophobicContact CB-CG2 4.39Å; V72-I90 HydrophobicContact CG2-CG2 4.39Å; I74-I90 HydrophobicContact CD1-CD1 4.02Å; L86-I90 WeakPolarHBondContact O-CG1 3.4Å; L86-I90 PolarHBondContact O-N 3.06Å; I90-G92 WeakPolarHBondContact CD1-O 3.37Å; I90-F114 HydrophobicContact CD1-CE1 3.79Å; I90-F114 HydrophobicContact CD1-CZ 4.46Å; I90-F128 HydrophobicContact CD1-CZ 4.13Å; I90-F128 HydrophobicContact CG1-CE2 3.88Å; I90-F128 HydrophobicContact CG1-CZ 3.83Å; I90-F128 VanDerWaalsContact O-CE2 3.29Å; I90-F128 WeakPolarHBondContact O-CE2 3.33Å; I90-H284 WeakPolarHBondContact O-CB 3.44Å; I90-H284 PolarHBondContact O-ND1 3.18Å; I90-Y286 HydrophobicContact CG2-CE2 4.35Å
91	N	98.9	Very high	98.1	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.064	18%	0.178	C	C	.	.	S	Bend	trans	-100.7	1.6	-173	-56.5	102.7	0	0	0	114.1	P34 I35 P129 A279 N282 H284	P34-N91 WeakPolarHBondContact CA-OD1 3.4Å; P34-N91 HydrophobicContact CB-CB 4.27Å; I35-N91 PolarHBondContact N-OD1 3.32Å; I35-N91 PolarHBondContact O-N 2.79Å; N91-P129 VanDerWaalsContact O-CD 3.24Å; N91-P129 WeakPolarHBondContact O-CD 3.25Å; N91-A279 HydrophobicContact CB-CB 4.08Å; N91-A279 WeakPolarHBondContact CB-O 3.46Å; N91-A279 WeakPolarHBondContact O-CA 3.45Å; N91-A279 WeakPolarHBondContact O-CB 3.49Å; N91-N282 WeakPolarHBondContact CA-OD1 3.3Å; N91-N282 WeakPolarHBondContact CB-OD1 3.37Å; N91-N282 PolarHBondContact ND2-OD1 3.36Å; N91-N282 PolarHBondContact O-ND2 2.85Å; N91-H284 PolarHBondContact ND2-O 2.9Å
92	G	98.9	Very high	98.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.			trans	170.3	170.1	-179.7	0	0	0	0	0	110.9	I36 G37 I90 P129	I36-G92 WeakPolarHBondContact CA-O 3.37Å; G37-G92 PolarHBondContact N-O 3.18Å; I90-G92 WeakPolarHBondContact CD1-O 3.37Å; G92-P129 VanDerWaalsContact CA-O 3.3Å; G92-P129 WeakPolarHBondContact CA-O 3.5Å
93	I	98.9	Very high	98	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.5	178.9	-165.7	163.6	0	0	0	112.8	G37 I74 F95 F114 F128 P129 V130 W131 F275	G37-I93 CarbonylContact O-C 3.49Å; G37-I93 WeakPolarHBondContact O-CA 3.32Å; I74-I93 HydrophobicContact CG1-CD1 4.23Å; I93-F95 HydrophobicContact CD1-CD1 4.4Å; I93-F95 HydrophobicContact CD1-CE1 3.76Å; I93-F95 HydrophobicContact CG1-CD1 4.21Å; I93-F95 HydrophobicContact CG1-CE1 3.89Å; I93-F95 HydrophobicContact CG2-CE1 3.81Å; I93-F95 HydrophobicContact CG2-CZ 4.08Å; I93-F114 HydrophobicContact CB-CD1 4.31Å; I93-F114 HydrophobicContact CD1-CB 3.86Å; I93-F114 HydrophobicContact CD1-CD1 3.41Å; I93-F114 VanDerWaalsContact CD1-CD1 3.41Å; I93-F114 HydrophobicContact CD1-CD2 3.64Å; I93-F114 HydrophobicContact CD1-CE1 3.78Å; I93-F114 HydrophobicContact CD1-CE2 3.98Å; I93-F114 HydrophobicContact CD1-CG 3.34Å; I93-F114 HydrophobicContact CD1-CZ 4.05Å; I93-F114 HydrophobicContact CG1-CD1 4.45Å; I93-F114 HydrophobicContact CG2-CB 4.21Å; I93-F114 HydrophobicContact CG2-CD1 4.38Å; I93-F128 HydrophobicContact CB-CE1 4.09Å; I93-F128 HydrophobicContact CB-CZ 4.33Å; I93-F128 HydrophobicContact CG2-CE1 3.8Å; I93-P129 PolarHBondContact N-O 3.06Å; I93-P129 VanDerWaalsContact N-O 3.08Å; I93-V130 HydrophobicContact CG2-CB 4.32Å; I93-V130 HydrophobicContact CG2-CG1 4.04Å; I93-V130 HydrophobicContact CG2-CG2 3.98Å; I93-V130 WeakPolarHBondContact O-CA 3.4Å; I93-W131 PolarHBondContact O-N 2.96Å; I93-F275 WeakPolarHBondContact O-CZ 3.35Å
94	L	98.9	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.7	172.8	-174.8	148.9	0	0	0	110.6	I36 G37 I38 L39 Y60 Y63 I64 P96 W131 F275	I36-L94 HydrophobicContact CG2-CB 4.48Å; G37-L94 PolarHBondContact O-N 3.22Å; I38-L94 HydrophobicContact CG1-CB 4.33Å; I38-L94 HydrophobicContact CG2-CD2 4.14Å; L39-L94 PolarHBondContact N-O 2.82Å; Y60-L94 HydrophobicContact CD1-CD1 4.48Å; Y60-L94 HydrophobicContact CD1-CD2 3.7Å; Y60-L94 HydrophobicContact CE1-CD2 4.28Å; Y60-L94 HydrophobicContact CG-CD2 4.3Å; Y63-L94 HydrophobicContact CD1-CD1 4.44Å; Y63-L94 HydrophobicContact CE1-CD1 4.41Å; I64-L94 HydrophobicContact CD1-CD1 3.94Å; I64-L94 HydrophobicContact CG1-CD1 4.31Å; L94-P96 HydrophobicContact CD2-CB 3.84Å; L94-P96 HydrophobicContact CD2-CG 4.45Å; L94-P96 WeakPolarHBondContact O-CD 3.08Å; L94-W131 CarbonylContact C-O 3.48Å; L94-W131 WeakPolarHBondContact CA-O 3.47Å; L94-W131 HydrophobicContact CB-CB 4.47Å; L94-W131 HydrophobicContact CD1-CB 4.48Å; L94-W131 HydrophobicContact CD1-CG 4.23Å; L94-W131 HydrophobicContact CG-CB 4.36Å; L94-W131 HydrophobicContact CG-CG 4.43Å; L94-F275 HydrophobicContact CB-CE1 4.16Å; L94-F275 HydrophobicContact CD1-CE1 4.42Å
95	F	98.9	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	100.1	170.4	-60	-20.7	0	0	0	108.2	L39 I93 Y107 A111 F114 V130 W131 T133 G136 L140	L39-F95 HydrophobicContact CB-CD1 4.29Å; L39-F95 HydrophobicContact CD2-CD1 3.96Å; L39-F95 HydrophobicContact CD2-CE1 4.29Å; I93-F95 HydrophobicContact CD1-CD1 4.4Å; I93-F95 HydrophobicContact CD1-CE1 3.76Å; I93-F95 HydrophobicContact CG1-CD1 4.21Å; I93-F95 HydrophobicContact CG1-CE1 3.89Å; I93-F95 HydrophobicContact CG2-CE1 3.81Å; I93-F95 HydrophobicContact CG2-CZ 4.08Å; F95-Y107 VanDerWaalsContact C-OH 3.29Å; F95-Y107 WeakPolarHBondContact CA-OH 3.47Å; F95-Y107 WeakPolarHBondContact CB-OH 3.27Å; F95-A111 HydrophobicContact CD1-CB 4.21Å; F95-A111 HydrophobicContact CD2-CB 4.15Å; F95-A111 HydrophobicContact CE1-CB 3.93Å; F95-A111 HydrophobicContact CE2-CB 3.86Å; F95-A111 HydrophobicContact CG-CB 4.34Å; F95-A111 HydrophobicContact CZ-CB 3.76Å; F95-A111 WeakPolarHBondContact CZ-O 3.33Å; F95-F114 HydrophobicContact CE1-CB 4.34Å; F95-F114 HydrophobicContact CZ-CB 4.2Å; F95-V130 HydrophobicContact CD2-CG1 3.96Å; F95-V130 HydrophobicContact CE2-CG1 3.49Å; F95-V130 VanDerWaalsContact CE2-CG1 3.49Å; F95-V130 HydrophobicContact CZ-CG1 3.84Å; F95-W131 PolarHBondContact N-O 2.86Å; F95-T133 PolarHBondContact O-N 3.24Å; F95-G136 WeakPolarHBondContact O-CA 3.37Å; F95-L140 HydrophobicContact CD2-CD2 4.13Å; F95-L140 HydrophobicContact CD2-CG 4.16Å; F95-L140 HydrophobicContact CE2-CD2 3.9Å; F95-L140 HydrophobicContact CE2-CG 4.44Å
96	P	98.9	Very high	97.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.191	C	C	.	.			trans	-73.8	166.6	-174.4	30.7	-36.2	0	0	0	112.7	I38 L39 Y60 L94 Y107 T133	I38-P96 HydrophobicContact CG2-CG 4.19Å; L39-P96 WeakPolarHBondContact O-CD 3.33Å; L39-P96 WeakPolarHBondContact O-CG 3.33Å; Y60-P96 HydrophobicContact CD1-CB 3.95Å; Y60-P96 HydrophobicContact CD2-CB 3.75Å; Y60-P96 HydrophobicContact CE1-CB 3.79Å; Y60-P96 HydrophobicContact CE2-CB 3.61Å; Y60-P96 HydrophobicContact CG-CB 3.94Å; L94-P96 HydrophobicContact CD2-CB 3.84Å; L94-P96 HydrophobicContact CD2-CG 4.45Å; L94-P96 WeakPolarHBondContact O-CD 3.08Å; P96-Y107 HydrophobicContact CG-CE2 4.32Å; P96-Y107 PolarHBondContact O-OH 3.4Å; P96-T133 CarbonylContact C-O 3.55Å; P96-T133 VanDerWaalsContact C-O 3.32Å
97	G	98.6	Very high	97.8	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	19%	0.185	C	C	.	.			trans	-64.3	161.7	168.9	0	0	0	0	0	112.3	Q41 Y60 T133	Q41-G97 PolarHBondContact NE2-O 3.48Å; Y60-G97 WeakPolarHBondContact OH-CA 3.31Å; Y60-G97 PolarHBondContact OH-N 2.64Å; G97-T133 WeakPolarHBondContact CA-O 3.37Å; G97-T133 PolarHBondContact N-O 2.74Å
98	G	97	Very high	97.8	Very high	21 Å²	21	32.4 Å²	32.4	22%	0.216	18%	0.184	C	C	.	.			trans	174.4	-165.6	-171.4	0	0	0	0	0	113.2	L135	G98-L135 VanDerWaalsContact N-CB 3.35Å
99	S	95	Very high	97.8	Very high	99 Å²	99	30.6 Å²	30.6	69%	0.692	18%	0.181	S	C	*	.			trans	-143	18.7	179	-53.9	0	0	0	0	113.5	H44	H44-S99 PolarHBondContact CE1-O 3.34Å; H44-S99 VanDerWaalsContact CE1-O 3.3Å
100	V	95.9	Very high	97.8	Very high	18 Å²	18	29.9 Å²	29.9	11%	0.109	18%	0.176	C	C	.	.	S	Bend	trans	-75.9	159.3	171.4	-66.9	0	0	0	0	110.6	Q41 K42 H44 I102 Y107 L135	Q41-V100 HydrophobicContact CB-CG1 4.28Å; Q41-V100 HydrophobicContact CB-CG2 4.39Å; K42-V100 HydrophobicContact CB-CG1 4.47Å; H44-V100 WeakPolarHBondContact CE1-CG1 3.35Å; H44-V100 PolarHBondContact CE1-N 2.87Å; H44-V100 VanDerWaalsContact NE2-CG1 3.29Å; H44-V100 WeakPolarHBondContact NE2-CG1 3.33Å; H44-V100 PolarHBondContact NE2-N 3.02Å; V100-I102 PolarHBondContact O-N 3.19Å; V100-Y107 HydrophobicContact CG2-CD1 3.93Å; V100-Y107 HydrophobicContact CG2-CD2 4.44Å; V100-Y107 HydrophobicContact CG2-CG 3.76Å; V100-L135 HydrophobicContact CG2-CD2 3.52Å; V100-L135 WeakPolarHBondContact O-CD1 3.46Å
101	S	96.6	Very high	97.8	Very high	54 Å²	54	29.9 Å²	29.9	38%	0.378	18%	0.176	S	C	.	.			trans	-65.3	128.2	178.8	-179.4	0	0	0	0	111.6	L103 N104 S105	S101-L103 PolarHBondContact O-N 3.05Å; S101-L103 PolarHBondContact OG-N 3.15Å; S101-N104 PolarHBondContact OG-N 2.95Å; S101-S105 WeakPolarHBondContact O-CB 3.32Å; S101-S105 PolarHBondContact O-OG 3.49Å
102	I	96.8	Very high	97.8	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.062	20%	0.198	C	C	.	.	S	Bend	trans	-70.7	-17.1	170.3	66	176.2	0	0	0	112.9	V100 S108 L135 E138 F142 L150	V100-I102 PolarHBondContact O-N 3.19Å; I102-S108 WeakPolarHBondContact O-CB 3.41Å; I102-S108 PolarHBondContact O-OG 3.41Å; I102-L135 HydrophobicContact CG2-CD1 3.47Å; I102-L135 VanDerWaalsContact CG2-CD1 3.47Å; I102-E138 HydrophobicContact CG2-CB 4.14Å; I102-F142 HydrophobicContact CD1-CB 4.21Å; I102-L150 HydrophobicContact CD1-CD1 3.67Å; I102-L150 HydrophobicContact CD1-CG 4.47Å
103	L	96.1	Very high	97.8	Very high	77 Å²	77	36 Å²	36	40%	0.403	20%	0.203	S	C	.	.	S	Bend	trans	-91.4	-48.6	-179.8	-60.3	178.1	0	0	0	111.3	S101 F142 N148	S101-L103 PolarHBondContact O-N 3.05Å; S101-L103 PolarHBondContact OG-N 3.15Å; L103-F142 HydrophobicContact CD2-CD2 3.87Å; L103-F142 HydrophobicContact CD2-CE1 4.31Å; L103-F142 HydrophobicContact CD2-CE2 3.39Å; L103-F142 HydrophobicContact CD2-CZ 3.63Å; L103-N148 HydrophobicContact CD2-CB 4.32Å
104	N	95.3	Very high	97.8	Very high	142 Å²	142	36 Å²	36	76%	0.759	20%	0.203	S	C	*	.	S	Bend	trans	-131.7	68.1	-166.6	-61.3	-42.7	0	0	0	110.6	S101	S101-N104 PolarHBondContact OG-N 2.95Å
105	S	97.7	Very high	97.8	Very high	23 Å²	23	37.4 Å²	37.4	16%	0.161	21%	0.208	C	C	.	.	S	Bend	trans	-146.2	153.9	171.4	70.9	0	0	0	0	111.9	S101 Y107 S108 H109	S101-S105 WeakPolarHBondContact O-CB 3.32Å; S101-S105 PolarHBondContact O-OG 3.49Å; S105-Y107 PolarHBondContact O-N 3.42Å; S105-S108 PolarHBondContact O-N 2.99Å; S105-S108 VanDerWaalsContact O-N 3.11Å; S105-S108 PolarHBondContact OG-N 2.72Å; S105-S108 VanDerWaalsContact OG-N 3.09Å; S105-H109 PolarHBondContact O-N 3.01Å
106	D	98.1	Very high	97.8	Very high	58 Å²	58	39.4 Å²	39.4	31%	0.31	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-29.8	174.2	-46.8	-40.3	0	0	0	111.1	K42 I76 H109 V110	K42-D106 WeakPolarHBondContact CE-OD2 3.28Å; K42-D106 IonicContact NZ-OD2 2.68Å; K42-D106 PolarHBondContact NZ-OD2 3.41Å; I76-D106 HydrophobicContact CB-CB 3.87Å; I76-D106 HydrophobicContact CD1-CB 4.03Å; I76-D106 HydrophobicContact CG1-CB 4.06Å; I76-D106 WeakPolarHBondContact O-CB 3.3Å; D106-H109 PolarHBondContact O-N 3.35Å; D106-V110 WeakPolarHBondContact O-CB 3.24Å; D106-V110 VanDerWaalsContact O-CG2 3.26Å; D106-V110 WeakPolarHBondContact O-CG2 3.41Å; D106-V110 PolarHBondContact O-N 3.21Å
107	Y	98.6	Very high	97.8	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-53.4	170.5	174.3	-85.7	0	0	0	111.6	L39 M40 Q41 F95 P96 V100 S105 H109 V110 A111 L135 T139	L39-Y107 HydrophobicContact CB-CD2 4.43Å; L39-Y107 HydrophobicContact CB-CE2 4.11Å; L39-Y107 HydrophobicContact CD2-CD2 3.56Å; L39-Y107 HydrophobicContact CD2-CE2 3.62Å; L39-Y107 HydrophobicContact CD2-CG 4.03Å; L39-Y107 WeakPolarHBondContact CD2-O 3.15Å; L39-Y107 HydrophobicContact CG-CD2 3.78Å; L39-Y107 HydrophobicContact CG-CE2 3.92Å; M40-Y107 WeakPolarHBondContact O-CD2 3.41Å; Q41-Y107 HydrophobicContact CB-CD2 3.92Å; F95-Y107 VanDerWaalsContact C-OH 3.29Å; F95-Y107 WeakPolarHBondContact CA-OH 3.47Å; F95-Y107 WeakPolarHBondContact CB-OH 3.27Å; P96-Y107 HydrophobicContact CG-CE2 4.32Å; P96-Y107 PolarHBondContact O-OH 3.4Å; V100-Y107 HydrophobicContact CG2-CD1 3.93Å; V100-Y107 HydrophobicContact CG2-CD2 4.44Å; V100-Y107 HydrophobicContact CG2-CG 3.76Å; S105-Y107 PolarHBondContact O-N 3.42Å; Y107-H109 VanDerWaalsContact C-N 3.32Å; Y107-H109 PolarHBondContact O-N 3.03Å; Y107-V110 PolarHBondContact O-N 3.22Å; Y107-A111 VanDerWaalsContact O-CB 3.29Å; Y107-A111 WeakPolarHBondContact O-CB 3.45Å; Y107-A111 PolarHBondContact O-N 3.07Å; Y107-L135 HydrophobicContact CD1-CD2 4.1Å; Y107-L135 HydrophobicContact CE1-CD2 3.76Å; Y107-L135 HydrophobicContact CE1-CG 3.9Å; Y107-L135 HydrophobicContact CE2-CD2 4.43Å; Y107-T139 HydrophobicContact CE1-CG2 4.47Å
108	S	98.3	Very high	97.8	Very high	6 Å²	6	42 Å²	42	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-38	179.6	-178.4	0	0	0	0	111.7	I102 S105 V110 A111 K112	I102-S108 WeakPolarHBondContact O-CB 3.41Å; I102-S108 PolarHBondContact O-OG 3.41Å; S105-S108 PolarHBondContact O-N 2.99Å; S105-S108 VanDerWaalsContact O-N 3.11Å; S105-S108 PolarHBondContact OG-N 2.72Å; S105-S108 VanDerWaalsContact OG-N 3.09Å; S108-V110 PolarHBondContact O-N 2.84Å; S108-A111 PolarHBondContact O-N 3.04Å; S108-K112 WeakPolarHBondContact O-CB 3.37Å; S108-K112 PolarHBondContact O-N 2.6Å
109	H	98.6	Very high	97.9	Very high	101 Å²	101	42.2 Å²	42.2	47%	0.468	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-49.1	175.3	-179	67.8	0	0	0	112	S105 D106 Y107 K112 I113	S105-H109 PolarHBondContact O-N 3.01Å; D106-H109 PolarHBondContact O-N 3.35Å; Y107-H109 VanDerWaalsContact C-N 3.32Å; Y107-H109 PolarHBondContact O-N 3.03Å; H109-K112 WeakPolarHBondContact O-CB 3.47Å; H109-K112 PolarHBondContact O-N 3.3Å; H109-I113 WeakPolarHBondContact O-CG1 3.35Å; H109-I113 PolarHBondContact O-N 2.87Å; H109-I113 VanDerWaalsContact O-N 3.17Å
110	V	98.8	Very high	98.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-72.5	-36.8	-179.6	178.4	0	0	0	0	111.9	L39 I74 I76 Y83 D106 Y107 S108 K112 I113 F114	L39-V110 HydrophobicContact CD1-CB 3.97Å; L39-V110 HydrophobicContact CD1-CG1 3.49Å; L39-V110 VanDerWaalsContact CD1-CG1 3.49Å; I74-V110 HydrophobicContact CG2-CG1 4.25Å; I76-V110 HydrophobicContact CB-CG2 4.3Å; I76-V110 HydrophobicContact CG2-CB 4.42Å; I76-V110 HydrophobicContact CG2-CG2 4.31Å; Y83-V110 HydrophobicContact CD1-CG1 4.07Å; Y83-V110 HydrophobicContact CE1-CB 4.48Å; Y83-V110 HydrophobicContact CE1-CG1 3.57Å; Y83-V110 HydrophobicContact CE1-CG2 4.01Å; Y83-V110 HydrophobicContact CE2-CG2 3.86Å; Y83-V110 VanDerWaalsContact CZ-CG2 3.4Å; Y83-V110 WeakPolarHBondContact OH-CG2 3.47Å; D106-V110 WeakPolarHBondContact O-CB 3.24Å; D106-V110 VanDerWaalsContact O-CG2 3.26Å; D106-V110 WeakPolarHBondContact O-CG2 3.41Å; D106-V110 PolarHBondContact O-N 3.21Å; Y107-V110 PolarHBondContact O-N 3.22Å; S108-V110 PolarHBondContact O-N 2.84Å; V110-K112 PolarHBondContact O-N 2.81Å; V110-I113 WeakPolarHBondContact O-CB 3.44Å; V110-I113 PolarHBondContact O-N 2.92Å; V110-I113 VanDerWaalsContact O-N 3.12Å; V110-F114 HydrophobicContact CG1-CD2 3.88Å; V110-F114 HydrophobicContact CG1-CE2 3.93Å; V110-F114 PolarHBondContact O-N 3.15Å; V110-F114 VanDerWaalsContact O-N 3.09Å
111	A	98.9	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.6	-41.3	171	0	0	0	0	0	111.4	L39 F95 Y107 S108 F114 Y115 T139 L143	L39-A111 HydrophobicContact CD2-CB 3.97Å; F95-A111 HydrophobicContact CD1-CB 4.21Å; F95-A111 HydrophobicContact CD2-CB 4.15Å; F95-A111 HydrophobicContact CE1-CB 3.93Å; F95-A111 HydrophobicContact CE2-CB 3.86Å; F95-A111 HydrophobicContact CG-CB 4.34Å; F95-A111 HydrophobicContact CZ-CB 3.76Å; F95-A111 WeakPolarHBondContact CZ-O 3.33Å; Y107-A111 VanDerWaalsContact O-CB 3.29Å; Y107-A111 WeakPolarHBondContact O-CB 3.45Å; Y107-A111 PolarHBondContact O-N 3.07Å; S108-A111 PolarHBondContact O-N 3.04Å; A111-F114 PolarHBondContact O-N 3.48Å; A111-Y115 WeakPolarHBondContact O-CB 3.45Å; A111-Y115 PolarHBondContact O-N 2.81Å; A111-T139 HydrophobicContact CB-CG2 3.76Å; A111-L143 HydrophobicContact CB-CD1 4.45Å
112	K	98.9	Very high	98.3	Very high	121 Å²	121	43.4 Å²	43.4	53%	0.526	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-43.7	174.3	-173.9	174.4	-179.7	179.9	0	112.4	S108 H109 V110 Y115 S116 L143	S108-K112 WeakPolarHBondContact O-CB 3.37Å; S108-K112 PolarHBondContact O-N 2.6Å; H109-K112 WeakPolarHBondContact O-CB 3.47Å; H109-K112 PolarHBondContact O-N 3.3Å; V110-K112 PolarHBondContact O-N 2.81Å; K112-Y115 PolarHBondContact O-N 2.87Å; K112-S116 WeakPolarHBondContact O-CB 3.42Å; K112-S116 PolarHBondContact O-N 3.46Å; K112-S116 PolarHBondContact O-OG 3.01Å; K112-L143 HydrophobicContact CB-CD2 3.65Å; K112-L143 HydrophobicContact CD-CD2 4.25Å; K112-L143 HydrophobicContact CG-CD2 3.83Å
113	I	98.9	Very high	98.4	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-52.2	178.2	-64.5	165.8	0	0	0	110.3	Y83 H109 V110 S116 K117	Y83-I113 HydrophobicContact CD2-CD1 3.6Å; Y83-I113 HydrophobicContact CE2-CD1 3.89Å; Y83-I113 HydrophobicContact CG-CD1 4.39Å; Y83-I113 HydrophobicContact CG-CG2 4.48Å; H109-I113 WeakPolarHBondContact O-CG1 3.35Å; H109-I113 PolarHBondContact O-N 2.87Å; H109-I113 VanDerWaalsContact O-N 3.17Å; V110-I113 WeakPolarHBondContact O-CB 3.44Å; V110-I113 PolarHBondContact O-N 2.92Å; V110-I113 VanDerWaalsContact O-N 3.12Å; I113-S116 PolarHBondContact O-N 3Å; I113-K117 HydrophobicContact CG2-CD 4.27Å; I113-K117 WeakPolarHBondContact O-CG 3.31Å; I113-K117 PolarHBondContact O-N 3.46Å
114	F	98.9	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-37.6	-179.3	-84.1	-92.9	0	0	0	112.9	I74 Y83 L86 F87 I90 I93 F95 V110 A111 K117 A118 F128	I74-F114 HydrophobicContact CD1-CZ 4.44Å; I74-F114 HydrophobicContact CG2-CE2 3.79Å; I74-F114 HydrophobicContact CG2-CZ 4.07Å; Y83-F114 AromaticContact CD1-CE2 3.72Å; Y83-F114 HydrophobicContact CD1-CE2 3.72Å; Y83-F114 HydrophobicContact CD1-CZ 4.37Å; Y83-F114 HydrophobicContact CE1-CE2 4.45Å; Y83-F114 HydrophobicContact CG-CE2 4.36Å; L86-F114 HydrophobicContact CB-CZ 4.17Å; F87-F114 HydrophobicContact CB-CE1 4.14Å; F87-F114 AromaticContact CD2-CD1 3.8Å; F87-F114 HydrophobicContact CD2-CD1 3.8Å; F87-F114 HydrophobicContact CD2-CE1 4.16Å; I90-F114 HydrophobicContact CD1-CE1 3.79Å; I90-F114 HydrophobicContact CD1-CZ 4.46Å; I93-F114 HydrophobicContact CB-CD1 4.31Å; I93-F114 HydrophobicContact CD1-CB 3.86Å; I93-F114 HydrophobicContact CD1-CD1 3.41Å; I93-F114 VanDerWaalsContact CD1-CD1 3.41Å; I93-F114 HydrophobicContact CD1-CD2 3.64Å; I93-F114 HydrophobicContact CD1-CE1 3.78Å; I93-F114 HydrophobicContact CD1-CE2 3.98Å; I93-F114 HydrophobicContact CD1-CG 3.34Å; I93-F114 HydrophobicContact CD1-CZ 4.05Å; I93-F114 HydrophobicContact CG1-CD1 4.45Å; I93-F114 HydrophobicContact CG2-CB 4.21Å; I93-F114 HydrophobicContact CG2-CD1 4.38Å; F95-F114 HydrophobicContact CE1-CB 4.34Å; F95-F114 HydrophobicContact CZ-CB 4.2Å; V110-F114 HydrophobicContact CG1-CD2 3.88Å; V110-F114 HydrophobicContact CG1-CE2 3.93Å; V110-F114 PolarHBondContact O-N 3.15Å; V110-F114 VanDerWaalsContact O-N 3.09Å; A111-F114 PolarHBondContact O-N 3.48Å; F114-K117 PolarHBondContact O-N 3.4Å; F114-A118 VanDerWaalsContact O-CB 3.31Å; F114-A118 WeakPolarHBondContact O-CB 3.39Å; F114-A118 PolarHBondContact O-N 3.26Å; F114-F128 HydrophobicContact CD1-CE1 4.47Å; F114-F128 HydrophobicContact CD1-CZ 4.29Å
115	Y	98.9	Very high	98.6	Very high	30 Å²	30	46.6 Å²	46.6	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-50.8	173.5	166.6	-95.9	0	0	0	111.3	A111 K112 K117 A118 I119 L140 L143 V144 F213 I238	A111-Y115 WeakPolarHBondContact O-CB 3.45Å; A111-Y115 PolarHBondContact O-N 2.81Å; K112-Y115 PolarHBondContact O-N 2.87Å; Y115-K117 PolarHBondContact O-N 3.08Å; Y115-A118 PolarHBondContact O-N 2.95Å; Y115-I119 HydrophobicContact CD2-CG1 4.4Å; Y115-I119 HydrophobicContact CE1-CG1 4.16Å; Y115-I119 HydrophobicContact CE2-CD1 4.08Å; Y115-I119 HydrophobicContact CE2-CG1 3.96Å; Y115-I119 WeakPolarHBondContact O-CG1 3.33Å; Y115-I119 PolarHBondContact O-N 3.19Å; Y115-L140 HydrophobicContact CD2-CD2 4.07Å; Y115-L143 HydrophobicContact CD1-CB 4.17Å; Y115-L143 HydrophobicContact CD1-CD1 4.26Å; Y115-L143 HydrophobicContact CD2-CD1 4.48Å; Y115-L143 HydrophobicContact CE1-CB 4.28Å; Y115-L143 HydrophobicContact CG-CB 4.36Å; Y115-L143 HydrophobicContact CG-CD1 3.92Å; Y115-V144 HydrophobicContact CE2-CG2 3.97Å; Y115-F213 HydrophobicContact CE2-CZ 4.33Å; Y115-I238 HydrophobicContact CD2-CD1 3.58Å; Y115-I238 HydrophobicContact CE2-CD1 3.52Å
116	S	98.8	Very high	98.6	Very high	42 Å²	42	47.4 Å²	47.4	29%	0.294	25%	0.253	S	S	.	.	H	α-helix	trans	-58.8	-46.7	178.6	-74.9	0	0	0	0	111.6	K112 I113 A118 I119 E120	K112-S116 WeakPolarHBondContact O-CB 3.42Å; K112-S116 PolarHBondContact O-N 3.46Å; K112-S116 PolarHBondContact O-OG 3.01Å; I113-S116 PolarHBondContact O-N 3Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.44Å; S116-I119 PolarHBondContact O-N 3.07Å; S116-E120 WeakPolarHBondContact O-CB 3.34Å; S116-E120 VanDerWaalsContact O-CG 3.32Å; S116-E120 WeakPolarHBondContact O-CG 3.38Å; S116-E120 PolarHBondContact O-N 3.46Å
117	K	98.8	Very high	98.6	Very high	53 Å²	53	46.5 Å²	46.5	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-39.4	176.2	-72.2	-176.3	176.7	-58.1	0	112.9	F87 I113 F114 Y115 E120 S121	F87-K117 HydrophobicContact CB-CD 3.89Å; F87-K117 HydrophobicContact CD1-CB 4.18Å; F87-K117 HydrophobicContact CD1-CD 4.28Å; F87-K117 HydrophobicContact CD2-CB 3.58Å; F87-K117 HydrophobicContact CD2-CD 4.07Å; F87-K117 HydrophobicContact CD2-CG 4.47Å; F87-K117 HydrophobicContact CE1-CB 4.07Å; F87-K117 HydrophobicContact CE2-CB 3.46Å; F87-K117 VanDerWaalsContact CE2-CB 3.46Å; F87-K117 HydrophobicContact CG-CB 3.95Å; F87-K117 HydrophobicContact CG-CD 3.8Å; F87-K117 HydrophobicContact CZ-CB 3.73Å; F87-K117 WeakPolarHBondContact CZ-O 3.48Å; I113-K117 HydrophobicContact CG2-CD 4.27Å; I113-K117 WeakPolarHBondContact O-CG 3.31Å; I113-K117 PolarHBondContact O-N 3.46Å; F114-K117 PolarHBondContact O-N 3.4Å; Y115-K117 PolarHBondContact O-N 3.08Å; K117-E120 PolarHBondContact O-N 2.82Å; K117-S121 VanDerWaalsContact O-CB 3.22Å; K117-S121 WeakPolarHBondContact O-CB 3.26Å; K117-S121 PolarHBondContact O-N 2.89Å; K117-S121 PolarHBondContact O-OG 3.42Å; K117-S121 VanDerWaalsContact O-OG 3.06Å
118	A	98.9	Very high	98.6	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-42.7	177.1	0	0	0	0	0	111.8	F87 F114 Y115 S116 S121 Y122 F128 V130	F87-A118 HydrophobicContact CE2-CB 4.38Å; F114-A118 VanDerWaalsContact O-CB 3.31Å; F114-A118 WeakPolarHBondContact O-CB 3.39Å; F114-A118 PolarHBondContact O-N 3.26Å; Y115-A118 PolarHBondContact O-N 2.95Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.44Å; A118-S121 WeakPolarHBondContact CA-OG 3.46Å; A118-S121 PolarHBondContact O-OG 2.86Å; A118-Y122 WeakPolarHBondContact O-CB 3.27Å; A118-Y122 PolarHBondContact O-N 3.49Å; A118-F128 HydrophobicContact CB-CB 4.44Å; A118-F128 HydrophobicContact CB-CD1 3.89Å; A118-V130 HydrophobicContact CB-CG2 3.6Å
119	I	98.8	Very high	98.7	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.138	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-50.7	175.1	-63.8	-61.6	0	0	0	110.8	Y115 S116 Y122 D123 F213 Y236 I238	Y115-I119 HydrophobicContact CD2-CG1 4.4Å; Y115-I119 HydrophobicContact CE1-CG1 4.16Å; Y115-I119 HydrophobicContact CE2-CD1 4.08Å; Y115-I119 HydrophobicContact CE2-CG1 3.96Å; Y115-I119 WeakPolarHBondContact O-CG1 3.33Å; Y115-I119 PolarHBondContact O-N 3.19Å; S116-I119 PolarHBondContact O-N 3.07Å; I119-Y122 PolarHBondContact O-N 3.46Å; I119-D123 PolarHBondContact O-N 3.26Å; I119-F213 HydrophobicContact CD1-CE2 3.86Å; I119-F213 HydrophobicContact CD1-CZ 3.89Å; I119-Y236 HydrophobicContact CB-CE1 4.41Å; I119-Y236 HydrophobicContact CD1-CD1 3.49Å; I119-Y236 VanDerWaalsContact CD1-CD1 3.49Å; I119-Y236 HydrophobicContact CD1-CD2 3.77Å; I119-Y236 HydrophobicContact CD1-CE1 3.79Å; I119-Y236 HydrophobicContact CD1-CE2 4.07Å; I119-Y236 HydrophobicContact CD1-CG 3.48Å; I119-Y236 VanDerWaalsContact CD1-CG 3.48Å; I119-Y236 HydrophobicContact CG2-CE1 3.87Å; I119-I238 HydrophobicContact CD1-CD1 3.85Å
120	E	98.7	Very high	98.7	Very high	113 Å²	113	41.4 Å²	41.4	53%	0.528	22%	0.223	S	C	.	.	H	α-helix	trans	-57.3	-51	178	-71.5	164.6	-163.8	0	0	111	S116 K117 Y122 D123 D124	S116-E120 WeakPolarHBondContact O-CB 3.34Å; S116-E120 VanDerWaalsContact O-CG 3.32Å; S116-E120 WeakPolarHBondContact O-CG 3.38Å; S116-E120 PolarHBondContact O-N 3.46Å; K117-E120 PolarHBondContact O-N 2.82Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 3.09Å; E120-D123 PolarHBondContact O-N 2.88Å; E120-D123 VanDerWaalsContact O-N 3.16Å; E120-D124 PolarHBondContact O-N 2.9Å
121	S	98.4	Very high	98.7	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-39.6	179.7	67.6	0	0	0	0	112.5	K117 A118 D124 G125 D126	K117-S121 VanDerWaalsContact O-CB 3.22Å; K117-S121 WeakPolarHBondContact O-CB 3.26Å; K117-S121 PolarHBondContact O-N 2.89Å; K117-S121 PolarHBondContact O-OG 3.42Å; K117-S121 VanDerWaalsContact O-OG 3.06Å; A118-S121 WeakPolarHBondContact CA-OG 3.46Å; A118-S121 PolarHBondContact O-OG 2.86Å; S121-D124 CarbonylContact O-C 3.48Å; S121-D124 WeakPolarHBondContact O-CA 3.34Å; S121-D124 PolarHBondContact O-N 3.42Å; S121-G125 PolarHBondContact O-N 3.12Å; S121-G125 VanDerWaalsContact O-N 3.09Å; S121-D126 CarbonylContact C-O 3.46Å; S121-D126 WeakPolarHBondContact O-CA 3.49Å; S121-D126 WeakPolarHBondContact O-CB 3.5Å; S121-D126 PolarHBondContact O-N 2.87Å
122	Y	98.7	Very high	98.7	Very high	70 Å²	70	41.4 Å²	41.4	28%	0.275	22%	0.223	S	C	.	.	H	α-helix	trans	-68.4	-38.8	179.4	-172.9	-86.5	0	0	0	111.9	A118 I119 E120 D124 G125 D126 H127 K235 Y236 P237	A118-Y122 WeakPolarHBondContact O-CB 3.27Å; A118-Y122 PolarHBondContact O-N 3.49Å; I119-Y122 PolarHBondContact O-N 3.46Å; E120-Y122 VanDerWaalsContact C-N 3.3Å; E120-Y122 PolarHBondContact O-N 3.09Å; Y122-D124 PolarHBondContact O-N 3.03Å; Y122-G125 PolarHBondContact O-N 3.34Å; Y122-D126 WeakPolarHBondContact CA-O 3.41Å; Y122-D126 PolarHBondContact N-O 2.78Å; Y122-H127 AromaticContact CE2-ND1 3.92Å; Y122-K235 HydrophobicContact CD1-CG 4.38Å; Y122-K235 HydrophobicContact CE1-CD 4.26Å; Y122-K235 HydrophobicContact CE1-CG 3.65Å; Y122-K235 PolarHBondContact OH-O 3.43Å; Y122-K235 VanDerWaalsContact OH-O 3.14Å; Y122-Y236 AromaticContact CD1-CD1 3.51Å; Y122-Y236 HydrophobicContact CD1-CD1 3.51Å; Y122-Y236 AromaticContact CD1-CE1 3.69Å; Y122-Y236 HydrophobicContact CD1-CE1 3.69Å; Y122-Y236 HydrophobicContact CD1-CG 4.48Å; Y122-Y236 HydrophobicContact CE1-CD1 4.31Å; Y122-Y236 AromaticContact CG-CD1 3.74Å; Y122-Y236 HydrophobicContact CG-CD1 3.74Å; Y122-Y236 HydrophobicContact CG-CE1 4.21Å; Y122-P237 HydrophobicContact CD2-CG 4.04Å; Y122-P237 HydrophobicContact CE2-CG 4.36Å
123	D	98.4	Very high	98.7	Very high	82 Å²	82	35.7 Å²	35.7	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-26.3	175.3	-70.7	-26.3	0	0	0	111.7	I119 E120 G125 K235 Y236	I119-D123 PolarHBondContact O-N 3.26Å; E120-D123 PolarHBondContact O-N 2.88Å; E120-D123 VanDerWaalsContact O-N 3.16Å; D123-G125 VanDerWaalsContact C-N 3.35Å; D123-K235 WeakPolarHBondContact OD1-CE 3.49Å; D123-K235 IonicContact OD1-NZ 2.84Å; D123-K235 PolarHBondContact OD1-NZ 2.91Å; D123-Y236 WeakPolarHBondContact OD1-CE1 3.34Å; D123-Y236 PolarHBondContact OD1-OH 3.09Å; D123-Y236 VanDerWaalsContact OD1-OH 3.07Å; D123-Y236 PolarHBondContact OD2-OH 3.11Å; D123-Y236 VanDerWaalsContact OD2-OH 3.04Å
124	D	98.2	Very high	98.7	Very high	144 Å²	144	35 Å²	35	77%	0.77	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	3.9	171.2	-67.4	-24.7	0	0	0	114.2	E120 S121 Y122	E120-D124 PolarHBondContact O-N 2.9Å; S121-D124 CarbonylContact O-C 3.48Å; S121-D124 WeakPolarHBondContact O-CA 3.34Å; S121-D124 PolarHBondContact O-N 3.42Å; Y122-D124 PolarHBondContact O-N 3.03Å
125	G	98.1	Very high	98.7	Very high	73 Å²	73	35.1 Å²	35.1	75%	0.753	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	12.5	175	0	0	0	0	0	116.2	S121 Y122 D123	S121-G125 PolarHBondContact O-N 3.12Å; S121-G125 VanDerWaalsContact O-N 3.09Å; Y122-G125 PolarHBondContact O-N 3.34Å; D123-G125 VanDerWaalsContact C-N 3.35Å
126	D	98.2	Very high	98.7	Very high	39 Å²	39	33.7 Å²	33.7	21%	0.209	19%	0.19	C	C	.	.			trans	-103.5	126.5	176.2	176.1	46.6	0	0	0	113	S121 Y122 F128 N282 H284	S121-D126 CarbonylContact C-O 3.46Å; S121-D126 WeakPolarHBondContact O-CA 3.49Å; S121-D126 WeakPolarHBondContact O-CB 3.5Å; S121-D126 PolarHBondContact O-N 2.87Å; Y122-D126 WeakPolarHBondContact CA-O 3.41Å; Y122-D126 PolarHBondContact N-O 2.78Å; D126-F128 PolarHBondContact O-N 3.24Å; D126-N282 WeakPolarHBondContact OD1-CB 3.16Å; D126-H284 IonicContact OD1-NE2 3.81Å; D126-H284 IonicContact OD2-CD2 3.88Å; D126-H284 IonicContact OD2-CE1 3.27Å; D126-H284 PolarHBondContact OD2-CE1 3.37Å; D126-H284 VanDerWaalsContact OD2-CE1 3.27Å; D126-H284 IonicContact OD2-NE2 2.89Å; D126-H284 PolarHBondContact OD2-NE2 3.29Å
127	H	98.4	Very high	98.7	Very high	40 Å²	40	31.7 Å²	31.7	19%	0.185	18%	0.176	C	C	.	.			trans	-91.1	83.2	-171.2	-166.2	100.6	0	0	0	111.9	Y122 P129 P237 E278 K281 N282	Y122-H127 AromaticContact CE2-ND1 3.92Å; H127-P129 WeakPolarHBondContact O-CD 3.44Å; H127-P237 WeakPolarHBondContact NE2-CB 3.36Å; H127-E278 IonicContact CE1-OE2 3.07Å; H127-E278 PolarHBondContact CE1-OE2 3.37Å; H127-E278 IonicContact NE2-OE2 2.74Å; H127-E278 PolarHBondContact NE2-OE2 3.3Å; H127-K281 HydrophobicContact CB-CB 4.07Å; H127-N282 WeakPolarHBondContact O-CB 3.45Å; H127-N282 PolarHBondContact O-ND2 3.03Å
128	F	98.9	Very high	98.7	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.169	C	C	.	.			trans	-99.8	105.7	176.7	-167.3	-81.9	0	0	0	112.5	F87 I90 I93 F114 A118 D126 V130 H284	F87-F128 HydrophobicContact CD2-CD1 4.4Å; F87-F128 HydrophobicContact CD2-CD2 4.22Å; F87-F128 HydrophobicContact CD2-CE1 4.09Å; F87-F128 AromaticContact CD2-CE2 3.88Å; F87-F128 HydrophobicContact CD2-CE2 3.88Å; F87-F128 HydrophobicContact CD2-CG 4.46Å; F87-F128 AromaticContact CD2-CZ 3.82Å; F87-F128 HydrophobicContact CD2-CZ 3.82Å; F87-F128 HydrophobicContact CE1-CD2 4.32Å; F87-F128 HydrophobicContact CE2-CB 4.24Å; F87-F128 AromaticContact CE2-CD1 3.55Å; F87-F128 HydrophobicContact CE2-CD1 3.55Å; F87-F128 AromaticContact CE2-CD2 3.67Å; F87-F128 HydrophobicContact CE2-CD2 3.67Å; F87-F128 AromaticContact CE2-CE1 3.68Å; F87-F128 HydrophobicContact CE2-CE1 3.68Å; F87-F128 AromaticContact CE2-CE2 3.77Å; F87-F128 HydrophobicContact CE2-CE2 3.77Å; F87-F128 AromaticContact CE2-CG 3.54Å; F87-F128 HydrophobicContact CE2-CG 3.54Å; F87-F128 AromaticContact CE2-CZ 3.78Å; F87-F128 HydrophobicContact CE2-CZ 3.78Å; F87-F128 HydrophobicContact CG-CE2 4.42Å; F87-F128 HydrophobicContact CZ-CB 3.87Å; F87-F128 HydrophobicContact CZ-CD1 4.09Å; F87-F128 AromaticContact CZ-CD2 3.71Å; F87-F128 HydrophobicContact CZ-CD2 3.71Å; F87-F128 HydrophobicContact CZ-CE2 4.21Å; F87-F128 AromaticContact CZ-CG 3.62Å; F87-F128 HydrophobicContact CZ-CG 3.62Å; I90-F128 HydrophobicContact CD1-CZ 4.13Å; I90-F128 HydrophobicContact CG1-CE2 3.88Å; I90-F128 HydrophobicContact CG1-CZ 3.83Å; I90-F128 VanDerWaalsContact O-CE2 3.29Å; I90-F128 WeakPolarHBondContact O-CE2 3.33Å; I93-F128 HydrophobicContact CB-CE1 4.09Å; I93-F128 HydrophobicContact CB-CZ 4.33Å; I93-F128 HydrophobicContact CG2-CE1 3.8Å; F114-F128 HydrophobicContact CD1-CE1 4.47Å; F114-F128 HydrophobicContact CD1-CZ 4.29Å; A118-F128 HydrophobicContact CB-CB 4.44Å; A118-F128 HydrophobicContact CB-CD1 3.89Å; D126-F128 PolarHBondContact O-N 3.24Å; F128-V130 HydrophobicContact CD1-CG2 4.38Å; F128-H284 AromaticContact CD2-CE1 3.72Å; F128-H284 AromaticContact CD2-ND1 3.6Å; F128-H284 AromaticContact CE2-ND1 3.86Å
129	P	98.9	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.			trans	-80.8	143.5	-177.1	35.9	-39.6	0	0	0	113.7	N91 G92 I93 H127 P237 Y239 F275 E278 A279	N91-P129 VanDerWaalsContact O-CD 3.24Å; N91-P129 WeakPolarHBondContact O-CD 3.25Å; G92-P129 VanDerWaalsContact CA-O 3.3Å; G92-P129 WeakPolarHBondContact CA-O 3.5Å; I93-P129 PolarHBondContact N-O 3.06Å; I93-P129 VanDerWaalsContact N-O 3.08Å; H127-P129 WeakPolarHBondContact O-CD 3.44Å; P129-P237 CarbonylContact C-O 3.35Å; P129-P237 VanDerWaalsContact CA-O 3.24Å; P129-P237 WeakPolarHBondContact CA-O 3.16Å; P129-P237 HydrophobicContact CB-CB 4.12Å; P129-Y239 HydrophobicContact CB-CE2 4.4Å; P129-F275 HydrophobicContact CB-CD2 4.32Å; P129-F275 HydrophobicContact CB-CE2 3.85Å; P129-F275 HydrophobicContact CG-CE2 4.07Å; P129-E278 HydrophobicContact CB-CB 3.7Å; P129-E278 HydrophobicContact CG-CB 3.91Å; P129-A279 HydrophobicContact CG-CB 4.13Å
130	V	99	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.8	177.3	-178.1	0	0	0	0	109.5	I93 F95 A118 F128 L140 P237 I238 Y239	I93-V130 HydrophobicContact CG2-CB 4.32Å; I93-V130 HydrophobicContact CG2-CG1 4.04Å; I93-V130 HydrophobicContact CG2-CG2 3.98Å; I93-V130 WeakPolarHBondContact O-CA 3.4Å; F95-V130 HydrophobicContact CD2-CG1 3.96Å; F95-V130 HydrophobicContact CE2-CG1 3.49Å; F95-V130 VanDerWaalsContact CE2-CG1 3.49Å; F95-V130 HydrophobicContact CZ-CG1 3.84Å; A118-V130 HydrophobicContact CB-CG2 3.6Å; F128-V130 HydrophobicContact CD1-CG2 4.38Å; V130-L140 HydrophobicContact CG1-CD2 4.08Å; V130-P237 PolarHBondContact N-O 3.28Å; V130-I238 HydrophobicContact CB-CD1 4.46Å; V130-I238 HydrophobicContact CB-CG1 4.19Å; V130-I238 HydrophobicContact CB-CG2 4.38Å; V130-I238 HydrophobicContact CG2-CD1 4.46Å; V130-I238 HydrophobicContact CG2-CG1 4.45Å; V130-I238 CarbonylContact O-C 3.54Å; V130-I238 WeakPolarHBondContact O-CA 3.25Å; V130-Y239 PolarHBondContact O-N 3.23Å
131	W	99	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.8	176.4	-174.1	-78.3	0	0	0	111.5	I93 L94 F95 T133 M173 Y239 V241 L271 F274 F275	I93-W131 PolarHBondContact O-N 2.96Å; L94-W131 CarbonylContact C-O 3.48Å; L94-W131 WeakPolarHBondContact CA-O 3.47Å; L94-W131 HydrophobicContact CB-CB 4.47Å; L94-W131 HydrophobicContact CD1-CB 4.48Å; L94-W131 HydrophobicContact CD1-CG 4.23Å; L94-W131 HydrophobicContact CG-CB 4.36Å; L94-W131 HydrophobicContact CG-CG 4.43Å; F95-W131 PolarHBondContact N-O 2.86Å; W131-T133 PolarHBondContact NE1-OG1 2.83Å; W131-M173 HydrophobicContact CH2-CE 4.05Å; W131-M173 HydrophobicContact CH2-CG 4.49Å; W131-M173 HydrophobicContact CH2-SD 4.1Å; W131-M173 HydrophobicContact CZ3-CE 4.04Å; W131-Y239 CarbonylContact C-O 3.6Å; W131-Y239 WeakPolarHBondContact CA-O 3.21Å; W131-Y239 HydrophobicContact CE3-CD2 4.46Å; W131-Y239 HydrophobicContact CE3-CG 4.21Å; W131-Y239 HydrophobicContact CZ3-CG 4.36Å; W131-V241 HydrophobicContact CH2-CG1 4.35Å; W131-V241 HydrophobicContact CZ2-CG1 3.94Å; W131-V241 HydrophobicContact CZ2-CG2 3.79Å; W131-L271 HydrophobicContact CH2-CB 4.05Å; W131-L271 HydrophobicContact CH2-CD1 4.18Å; W131-L271 HydrophobicContact CH2-CD2 4.12Å; W131-L271 HydrophobicContact CH2-CG 4.35Å; W131-L271 HydrophobicContact CZ2-CB 4.42Å; W131-L271 HydrophobicContact CZ2-CD1 4.23Å; W131-F274 AromaticContact CZ3-CD1 3.94Å; W131-F274 HydrophobicContact CZ3-CD1 3.94Å; W131-F274 HydrophobicContact CZ3-CE1 4.17Å; W131-F275 HydrophobicContact CB-CD1 3.96Å; W131-F275 HydrophobicContact CB-CD2 3.9Å; W131-F275 HydrophobicContact CB-CE1 3.64Å; W131-F275 HydrophobicContact CB-CE2 3.59Å; W131-F275 HydrophobicContact CB-CG 4.1Å; W131-F275 HydrophobicContact CB-CZ 3.46Å; W131-F275 VanDerWaalsContact CB-CZ 3.46Å; W131-F275 HydrophobicContact CD2-CB 4.44Å; W131-F275 HydrophobicContact CD2-CD1 4.49Å; W131-F275 HydrophobicContact CD2-CG 4.24Å; W131-F275 HydrophobicContact CE3-CB 3.73Å; W131-F275 HydrophobicContact CE3-CD1 4.47Å; W131-F275 AromaticContact CE3-CD2 3.91Å; W131-F275 HydrophobicContact CE3-CD2 3.91Å; W131-F275 AromaticContact CE3-CG 3.79Å; W131-F275 HydrophobicContact CE3-CG 3.79Å; W131-F275 HydrophobicContact CG-CD1 4.29Å; W131-F275 HydrophobicContact CG-CE1 4.37Å; W131-F275 HydrophobicContact CG-CG 4.39Å; W131-F275 HydrophobicContact CZ3-CB 4.1Å
132	G	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.6	173	0	0	0	0	0	112.8	Y239 A240 V241	G132-Y239 PolarHBondContact N-O 2.6Å; G132-A240 CarbonylContact O-C 3.56Å; G132-A240 VanDerWaalsContact O-CA 3.26Å; G132-A240 WeakPolarHBondContact O-CA 3.45Å; G132-V241 PolarHBondContact O-N 3.23Å
133	T	98.9	Very high	98.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.8	172.8	-63.6	0	0	0	0	110	Y60 F95 P96 G97 W131 L135 G136 V241 W243	Y60-T133 HydrophobicContact CE1-CG2 3.93Å; F95-T133 PolarHBondContact O-N 3.24Å; P96-T133 CarbonylContact C-O 3.55Å; P96-T133 VanDerWaalsContact C-O 3.32Å; G97-T133 WeakPolarHBondContact CA-O 3.37Å; G97-T133 PolarHBondContact N-O 2.74Å; W131-T133 PolarHBondContact NE1-OG1 2.83Å; T133-L135 PolarHBondContact O-N 3.07Å; T133-G136 PolarHBondContact O-N 2.85Å; T133-V241 CarbonylContact C-O 3.52Å; T133-V241 WeakPolarHBondContact CA-O 3.38Å; T133-V241 HydrophobicContact CG2-CG2 4.41Å; T133-W243 WeakPolarHBondContact CG2-O 3.5Å
134	C	98.8	Very high	98.8	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.027	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-103.8	176.1	-178.1	0	0	0	0	112.1	G136 F137 E138 V241 Q242 H244	C134-G136 PolarHBondContact O-N 2.97Å; C134-G136 VanDerWaalsContact O-N 3.17Å; C134-F137 WeakPolarHBondContact O-CA 3.43Å; C134-F137 VanDerWaalsContact O-CB 3.25Å; C134-F137 WeakPolarHBondContact O-CB 3.37Å; C134-F137 PolarHBondContact O-N 3.42Å; C134-E138 PolarHBondContact O-N 3.16Å; C134-V241 PolarHBondContact N-O 3.47Å; C134-Q242 WeakPolarHBondContact CA-O 3.38Å; C134-Q242 WeakPolarHBondContact CB-O 3.33Å; C134-H244 VanDerWaalsContact CB-CE1 3.49Å; C134-H244 WeakPolarHBondContact CB-CE1 3.4Å; C134-H244 WeakPolarHBondContact CB-NE2 3.49Å; C134-H244 PolarHBondContact SG-NE2 2.68Å
135	L	98.9	Very high	98.8	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-52.6	-36.8	171.3	179.1	68.6	0	0	0	113.1	G98 V100 I102 Y107 T133 E138 T139	G98-L135 VanDerWaalsContact N-CB 3.35Å; V100-L135 HydrophobicContact CG2-CD2 3.52Å; V100-L135 WeakPolarHBondContact O-CD1 3.46Å; I102-L135 HydrophobicContact CG2-CD1 3.47Å; I102-L135 VanDerWaalsContact CG2-CD1 3.47Å; Y107-L135 HydrophobicContact CD1-CD2 4.1Å; Y107-L135 HydrophobicContact CE1-CD2 3.76Å; Y107-L135 HydrophobicContact CE1-CG 3.9Å; Y107-L135 HydrophobicContact CE2-CD2 4.43Å; T133-L135 PolarHBondContact O-N 3.07Å; L135-E138 PolarHBondContact O-N 3.47Å; L135-T139 WeakPolarHBondContact O-CB 3.38Å; L135-T139 PolarHBondContact O-N 2.9Å; L135-T139 PolarHBondContact O-OG1 3.09Å
136	G	98.9	Very high	98.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.6	-37.5	173.4	0	0	0	0	0	113.1	F95 T133 C134 T139 L140	F95-G136 WeakPolarHBondContact O-CA 3.37Å; T133-G136 PolarHBondContact O-N 2.85Å; C134-G136 PolarHBondContact O-N 2.97Å; C134-G136 VanDerWaalsContact O-N 3.17Å; G136-T139 PolarHBondContact O-N 3.25Å; G136-L140 WeakPolarHBondContact O-CG 3.47Å; G136-L140 PolarHBondContact O-N 3.23Å
137	F	98.9	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-48.4	172	170.8	-73.3	0	0	0	110.7	C134 T139 L140 S141 L199 I228 M231 A240 V241 Q242	C134-F137 WeakPolarHBondContact O-CA 3.43Å; C134-F137 VanDerWaalsContact O-CB 3.25Å; C134-F137 WeakPolarHBondContact O-CB 3.37Å; C134-F137 PolarHBondContact O-N 3.42Å; F137-T139 VanDerWaalsContact C-N 3.29Å; F137-T139 PolarHBondContact O-N 3.02Å; F137-L140 PolarHBondContact O-N 3.37Å; F137-S141 PolarHBondContact O-N 3.04Å; F137-L199 HydrophobicContact CE1-CB 3.8Å; F137-L199 HydrophobicContact CE1-CD2 4.36Å; F137-L199 HydrophobicContact CZ-CB 4.21Å; F137-L199 HydrophobicContact CZ-CD2 4.33Å; F137-I228 HydrophobicContact CE2-CG2 3.87Å; F137-I228 HydrophobicContact CZ-CB 3.98Å; F137-I228 HydrophobicContact CZ-CG2 3.73Å; F137-M231 HydrophobicContact CD2-CE 3.93Å; F137-M231 HydrophobicContact CD2-CG 4.39Å; F137-M231 HydrophobicContact CE1-CE 4.32Å; F137-M231 HydrophobicContact CE2-CE 3.59Å; F137-M231 HydrophobicContact CE2-CG 3.75Å; F137-M231 HydrophobicContact CE2-SD 3.76Å; F137-M231 HydrophobicContact CG-CE 4.41Å; F137-M231 HydrophobicContact CZ-CE 3.78Å; F137-M231 HydrophobicContact CZ-CG 4.49Å; F137-M231 HydrophobicContact CZ-SD 3.93Å; F137-A240 HydrophobicContact CB-CB 4.02Å; F137-A240 HydrophobicContact CD2-CB 3.38Å; F137-A240 HydrophobicContact CE2-CB 4.16Å; F137-A240 HydrophobicContact CG-CB 4.02Å; F137-V241 WeakPolarHBondContact CB-O 3.38Å; F137-Q242 HydrophobicContact CD1-CB 4.35Å; F137-Q242 HydrophobicContact CD2-CB 4.34Å; F137-Q242 HydrophobicContact CG-CB 4.29Å
138	E	98.9	Very high	98.8	Very high	18 Å²	18	16.4 Å²	16.4	8%	0.084	10%	0.095	C	C	.	.	H	α-helix	trans	-57.8	-44.4	177.7	-69.9	170.2	-150	0	0	110.9	I102 C134 L135 S141 F142 L150 Q242	I102-E138 HydrophobicContact CG2-CB 4.14Å; C134-E138 PolarHBondContact O-N 3.16Å; L135-E138 PolarHBondContact O-N 3.47Å; E138-S141 PolarHBondContact O-N 3.37Å; E138-S141 PolarHBondContact O-OG 3.38Å; E138-F142 PolarHBondContact O-N 3.45Å; E138-L150 HydrophobicContact CB-CD1 3.91Å; E138-L150 HydrophobicContact CB-CD2 4.39Å; E138-L150 HydrophobicContact CG-CD1 3.77Å; E138-L150 HydrophobicContact CG-CD2 4.03Å; E138-Q242 PolarHBondContact OE1-NE2 3.12Å
139	T	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-46.7	177.3	-57.6	0	0	0	0	111.4	Y107 A111 L135 G136 F137 S141 F142 L143	Y107-T139 HydrophobicContact CE1-CG2 4.47Å; A111-T139 HydrophobicContact CB-CG2 3.76Å; L135-T139 WeakPolarHBondContact O-CB 3.38Å; L135-T139 PolarHBondContact O-N 2.9Å; L135-T139 PolarHBondContact O-OG1 3.09Å; G136-T139 PolarHBondContact O-N 3.25Å; F137-T139 VanDerWaalsContact C-N 3.29Å; F137-T139 PolarHBondContact O-N 3.02Å; T139-S141 VanDerWaalsContact C-N 3.31Å; T139-S141 PolarHBondContact O-N 2.93Å; T139-F142 WeakPolarHBondContact O-CB 3.49Å; T139-F142 PolarHBondContact O-N 3.08Å; T139-L143 HydrophobicContact CG2-CD1 3.96Å; T139-L143 HydrophobicContact CG2-CG 4.19Å; T139-L143 VanDerWaalsContact O-CG 3.26Å; T139-L143 WeakPolarHBondContact O-CG 3.12Å; T139-L143 PolarHBondContact O-N 2.95Å
140	L	98.9	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.8	-38.7	176.7	-73.7	171.5	0	0	0	112.3	F95 Y115 V130 G136 F137 F142 L143 V144 F214 I238 A240	F95-L140 HydrophobicContact CD2-CD2 4.13Å; F95-L140 HydrophobicContact CD2-CG 4.16Å; F95-L140 HydrophobicContact CE2-CD2 3.9Å; F95-L140 HydrophobicContact CE2-CG 4.44Å; Y115-L140 HydrophobicContact CD2-CD2 4.07Å; V130-L140 HydrophobicContact CG1-CD2 4.08Å; G136-L140 WeakPolarHBondContact O-CG 3.47Å; G136-L140 PolarHBondContact O-N 3.23Å; F137-L140 PolarHBondContact O-N 3.37Å; L140-F142 VanDerWaalsContact C-N 3.32Å; L140-F142 PolarHBondContact O-N 3.11Å; L140-L143 PolarHBondContact O-N 3.26Å; L140-V144 WeakPolarHBondContact O-CG2 3.5Å; L140-V144 PolarHBondContact O-N 3.19Å; L140-F214 HydrophobicContact CB-CZ 4.43Å; L140-I238 HydrophobicContact CD1-CG2 3.81Å; L140-I238 HydrophobicContact CD2-CG2 3.76Å; L140-I238 HydrophobicContact CG-CG2 4.35Å; L140-A240 HydrophobicContact CD1-CB 3.92Å
141	S	98.8	Very high	98.7	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-43.9	174.9	79.8	0	0	0	0	111.6	F137 E138 T139 S145	F137-S141 PolarHBondContact O-N 3.04Å; E138-S141 PolarHBondContact O-N 3.37Å; E138-S141 PolarHBondContact O-OG 3.38Å; T139-S141 VanDerWaalsContact C-N 3.31Å; T139-S141 PolarHBondContact O-N 2.93Å; S141-S145 WeakPolarHBondContact O-CB 3.15Å; S141-S145 PolarHBondContact O-N 3Å; S141-S145 PolarHBondContact O-OG 2.9Å
142	F	98.8	Very high	98.7	Very high	43 Å²	43	26.2 Å²	26.2	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-42.8	176.8	169.7	-109.5	0	0	0	112.7	I102 L103 E138 T139 L140 V144 S145 G146	I102-F142 HydrophobicContact CD1-CB 4.21Å; L103-F142 HydrophobicContact CD2-CD2 3.87Å; L103-F142 HydrophobicContact CD2-CE1 4.31Å; L103-F142 HydrophobicContact CD2-CE2 3.39Å; L103-F142 HydrophobicContact CD2-CZ 3.63Å; E138-F142 PolarHBondContact O-N 3.45Å; T139-F142 WeakPolarHBondContact O-CB 3.49Å; T139-F142 PolarHBondContact O-N 3.08Å; L140-F142 VanDerWaalsContact C-N 3.32Å; L140-F142 PolarHBondContact O-N 3.11Å; F142-V144 VanDerWaalsContact C-N 3.32Å; F142-V144 PolarHBondContact O-N 2.93Å; F142-S145 PolarHBondContact O-OG 2.85Å; F142-G146 VanDerWaalsContact O-CA 3.28Å; F142-G146 WeakPolarHBondContact O-CA 3.43Å; F142-G146 PolarHBondContact O-N 3.32Å
143	L	98.8	Very high	98.6	Very high	26 Å²	26	26.7 Å²	26.7	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-37.4	-179.7	-68.9	177.8	0	0	0	112.2	A111 K112 Y115 T139 L140	A111-L143 HydrophobicContact CB-CD1 4.45Å; K112-L143 HydrophobicContact CB-CD2 3.65Å; K112-L143 HydrophobicContact CD-CD2 4.25Å; K112-L143 HydrophobicContact CG-CD2 3.83Å; Y115-L143 HydrophobicContact CD1-CB 4.17Å; Y115-L143 HydrophobicContact CD1-CD1 4.26Å; Y115-L143 HydrophobicContact CD2-CD1 4.48Å; Y115-L143 HydrophobicContact CE1-CB 4.28Å; Y115-L143 HydrophobicContact CG-CB 4.36Å; Y115-L143 HydrophobicContact CG-CD1 3.92Å; T139-L143 HydrophobicContact CG2-CD1 3.96Å; T139-L143 HydrophobicContact CG2-CG 4.19Å; T139-L143 VanDerWaalsContact O-CG 3.26Å; T139-L143 WeakPolarHBondContact O-CG 3.12Å; T139-L143 PolarHBondContact O-N 2.95Å; L140-L143 PolarHBondContact O-N 3.26Å
144	V	98.8	Very high	98.6	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.073	18%	0.183	C	C	.	.	H	α-helix	trans	-77.9	-43.9	179.4	172	0	0	0	0	111.9	Y115 L140 F142 K209 L210 F213 F214	Y115-V144 HydrophobicContact CE2-CG2 3.97Å; L140-V144 WeakPolarHBondContact O-CG2 3.5Å; L140-V144 PolarHBondContact O-N 3.19Å; F142-V144 VanDerWaalsContact C-N 3.32Å; F142-V144 PolarHBondContact O-N 2.93Å; V144-K209 WeakPolarHBondContact O-CD 3.11Å; V144-L210 HydrophobicContact CB-CD2 3.99Å; V144-L210 HydrophobicContact CG1-CD2 3.85Å; V144-F213 HydrophobicContact CG1-CB 3.53Å; V144-F213 HydrophobicContact CG1-CD1 4.09Å; V144-F213 HydrophobicContact CG1-CD2 4.12Å; V144-F213 HydrophobicContact CG1-CG 3.65Å; V144-F213 HydrophobicContact CG2-CD1 3.86Å; V144-F213 HydrophobicContact CG2-CD2 4.31Å; V144-F213 HydrophobicContact CG2-CE1 3.95Å; V144-F213 HydrophobicContact CG2-CE2 4.38Å; V144-F213 HydrophobicContact CG2-CG 4.06Å; V144-F213 HydrophobicContact CG2-CZ 4.23Å; V144-F214 HydrophobicContact CB-CE2 3.95Å; V144-F214 HydrophobicContact CG1-CD2 4.4Å; V144-F214 HydrophobicContact CG1-CE2 4.09Å; V144-F214 HydrophobicContact CG2-CE2 3.58Å; V144-F214 HydrophobicContact CG2-CZ 3.89Å
145	S	98.5	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-75	-36.1	-179.6	67.1	0	0	0	0	112.3	S141 F142 E147 K209	S141-S145 WeakPolarHBondContact O-CB 3.15Å; S141-S145 PolarHBondContact O-N 3Å; S141-S145 PolarHBondContact O-OG 2.9Å; F142-S145 PolarHBondContact O-OG 2.85Å; S145-E147 VanDerWaalsContact C-N 3.25Å; S145-E147 PolarHBondContact OG-N 3.12Å; S145-E147 PolarHBondContact OG-O 3.18Å; S145-K209 WeakPolarHBondContact O-CD 3.43Å; S145-K209 PolarHBondContact O-NZ 3.06Å
146	G	98.1	Very high	98.4	Very high	51 Å²	51	35.7 Å²	35.7	53%	0.526	20%	0.201	S	C	.	.	S	Bend	trans	75.3	11.3	-163.9	0	0	0	0	0	113.8	F142	F142-G146 VanDerWaalsContact O-CA 3.28Å; F142-G146 WeakPolarHBondContact O-CA 3.43Å; F142-G146 PolarHBondContact O-N 3.32Å
147	E	98.1	Very high	98.3	Very high	95 Å²	95	37.2 Å²	37.2	44%	0.444	21%	0.212	S	C	.	.	S	Bend	trans	-138.9	144.3	-170.9	-66.3	171.2	-126.3	0	0	111.1	S145 L149 N207	S145-E147 VanDerWaalsContact C-N 3.25Å; S145-E147 PolarHBondContact OG-N 3.12Å; S145-E147 PolarHBondContact OG-O 3.18Å; E147-L149 HydrophobicContact CB-CD1 4.42Å; E147-L149 HydrophobicContact CB-CD2 4.01Å; E147-L149 HydrophobicContact CB-CG 3.95Å; E147-L149 PolarHBondContact O-N 3.48Å; E147-N207 PolarHBondContact OE1-ND2 3.11Å
148	N	98.1	Very high	98.2	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	23%	0.225	S	C	.	.			trans	-81.8	100.5	170.9	-175.8	7.8	0	0	0	110	L103 L150	L103-N148 HydrophobicContact CD2-CB 4.32Å; N148-L150 PolarHBondContact OD1-N 3.1Å
149	L	98.5	Very high	98.2	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.141	23%	0.23	C	C	.	.			trans	-105.8	12.7	-175.2	-61.8	175.5	0	0	0	113.2	E147 L199 N203 N207 L210	E147-L149 HydrophobicContact CB-CD1 4.42Å; E147-L149 HydrophobicContact CB-CD2 4.01Å; E147-L149 HydrophobicContact CB-CG 3.95Å; E147-L149 PolarHBondContact O-N 3.48Å; L149-L199 HydrophobicContact CB-CD1 3.89Å; L149-N203 HydrophobicContact CB-CB 4.26Å; L149-N203 PolarHBondContact O-ND2 3.26Å; L149-N207 HydrophobicContact CD1-CB 3.75Å; L149-L210 HydrophobicContact CD1-CD1 3.63Å
150	L	98.6	Very high	98.2	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.12	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.7	-176.6	-57.4	178.4	0	0	0	111.7	I102 E138 N148 W197 S198 L199	I102-L150 HydrophobicContact CD1-CD1 3.67Å; I102-L150 HydrophobicContact CD1-CG 4.47Å; E138-L150 HydrophobicContact CB-CD1 3.91Å; E138-L150 HydrophobicContact CB-CD2 4.39Å; E138-L150 HydrophobicContact CG-CD1 3.77Å; E138-L150 HydrophobicContact CG-CD2 4.03Å; N148-L150 PolarHBondContact OD1-N 3.1Å; L150-W197 HydrophobicContact CB-CB 4.06Å; L150-W197 HydrophobicContact CB-CE3 4.36Å; L150-W197 HydrophobicContact CD1-CB 3.96Å; L150-S198 WeakPolarHBondContact CA-O 3.28Å; L150-L199 HydrophobicContact CD2-CB 4.33Å
151	T	98.3	Very high	98.1	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.27	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.1	176.6	-53.4	0	0	0	0	109.1	W197 S198 N203	T151-W197 CarbonylContact O-C 3.59Å; T151-W197 WeakPolarHBondContact O-CA 3.38Å; T151-S198 PolarHBondContact N-O 3.22Å; T151-S198 PolarHBondContact O-N 3.23Å; T151-N203 PolarHBondContact OG1-ND2 3.07Å
152	L	98.4	Very high	98.1	Very high	113 Å²	113	42.8 Å²	42.8	59%	0.592	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.2	175.7	-168.8	78	0	0	0	109.8	K196 W197	L152-K196 WeakPolarHBondContact CA-O 3.26Å; L152-K196 HydrophobicContact CD1-CB 4.3Å; L152-K196 WeakPolarHBondContact CD1-O 3.35Å; L152-W197 HydrophobicContact CB-CE3 4.23Å; L152-W197 HydrophobicContact CB-CZ3 3.97Å; L152-W197 HydrophobicContact CD1-CD2 4.34Å; L152-W197 HydrophobicContact CD1-CE3 4.35Å; L152-W197 HydrophobicContact CD1-CH2 4.18Å; L152-W197 HydrophobicContact CD1-CZ2 4.18Å; L152-W197 HydrophobicContact CD1-CZ3 4.27Å
153	T	98.4	Very high	98.1	Very high	10 Å²	10	41.3 Å²	41.3	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.7	178.9	51.2	0	0	0	0	111.2	T155 K196 S198 D222 T225 F227	T153-T155 VanDerWaalsContact C-N 3.3Å; T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 PolarHBondContact OG1-OG1 3.1Å; T153-K196 PolarHBondContact N-O 3.12Å; T153-S198 PolarHBondContact OG1-OG 3.09Å; T153-S198 VanDerWaalsContact OG1-OG 3.08Å; T153-D222 WeakPolarHBondContact CA-OD2 3.28Å; T153-D222 WeakPolarHBondContact CB-OD2 3.33Å; T153-T225 HydrophobicContact CG2-CG2 4.21Å; T153-F227 HydrophobicContact CG2-CD1 4.41Å
154	D	97.8	Very high	98.1	Very high	127 Å²	127	40.4 Å²	40.4	68%	0.679	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	73.1	175.5	-170.3	23.5	0	0	0	111.4	D222	D154-D222 PolarHBondContact N-OD2 3.21Å
155	T	97.6	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	18.6	-169.2	46.8	0	0	0	0	113.5	T153 I158 N193 H195 D222 F227	T153-T155 VanDerWaalsContact C-N 3.3Å; T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 PolarHBondContact OG1-OG1 3.1Å; T155-I158 HydrophobicContact CG2-CD1 4.14Å; T155-N193 CarbonylContact O-C 3.2Å; T155-N193 WeakPolarHBondContact O-CB 3.49Å; T155-N193 VanDerWaalsContact O-O 3.12Å; T155-H195 CarbonylContact C-O 3.28Å; T155-H195 VanDerWaalsContact C-O 3.28Å; T155-H195 WeakPolarHBondContact CB-CE1 3.22Å; T155-H195 PolarHBondContact OG1-CE1 3.05Å; T155-H195 PolarHBondContact OG1-ND1 3.03Å; T155-H195 PolarHBondContact OG1-O 2.73Å; T155-D222 HydrophobicContact CG2-CB 3.97Å; T155-F227 HydrophobicContact CG2-CE1 3.66Å; T155-F227 HydrophobicContact CG2-CZ 3.69Å
156	V	96.8	Very high	97.7	Very high	69 Å²	69	48.6 Å²	48.6	42%	0.418	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	122.4	177.5	-179.8	0	0	0	0	110.5	H195 K196	V156-H195 VanDerWaalsContact CG2-O 3.28Å; V156-H195 WeakPolarHBondContact CG2-O 3.49Å; V156-H195 PolarHBondContact N-O 3.39Å; V156-K196 HydrophobicContact CG2-CB 4.49Å; V156-K196 HydrophobicContact CG2-CG 3.57Å
157	S	96.3	Very high	97.3	Very high	32 Å²	32	46.7 Å²	46.7	22%	0.224	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.4	43.9	174.5	-174.1	0	0	0	0	114	N193 F194 G257	S157-N193 VanDerWaalsContact CA-O 3.32Å; S157-N193 WeakPolarHBondContact CA-O 3.07Å; S157-N193 PolarHBondContact N-O 2.85Å; S157-F194 VanDerWaalsContact CA-CE1 3.46Å; S157-F194 VanDerWaalsContact CB-CE1 3.47Å; S157-G257 VanDerWaalsContact C-CA 3.41Å; S157-G257 WeakPolarHBondContact O-CA 3.3Å; S157-G257 PolarHBondContact O-N 3.09Å; S157-G257 PolarHBondContact OG-N 3.32Å
158	I	97.9	Very high	97.1	Very high	54 Å²	54	42.3 Å²	42.3	28%	0.277	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150	172	66	174.4	0	0	0	110.7	T155 L160 N193	T155-I158 HydrophobicContact CG2-CD1 4.14Å; I158-L160 HydrophobicContact CD1-CD1 3.88Å; I158-L160 HydrophobicContact CD1-CD2 4.01Å; I158-L160 HydrophobicContact CD1-CG 3.98Å; I158-L160 HydrophobicContact CG1-CD1 4.36Å; I158-L160 HydrophobicContact CG1-CG 4.17Å; I158-N193 HydrophobicContact CG1-CB 3.9Å; I158-N193 PolarHBondContact N-O 2.76Å; I158-N193 WeakPolarHBondContact O-CB 3.47Å; I158-N193 PolarHBondContact O-N 3.38Å
159	S	97.8	Very high	96.5	Very high	28 Å²	28	40.6 Å²	40.6	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.8	172.3	-166.7	0	0	0	0	110.1	P189 T191	S159-P189 WeakPolarHBondContact O-CB 3.13Å; S159-P189 VanDerWaalsContact OG-C 3.24Å; S159-P189 PolarHBondContact OG-O 3.03Å; S159-T191 VanDerWaalsContact CA-O 3.26Å; S159-T191 WeakPolarHBondContact CA-O 3.47Å; S159-T191 PolarHBondContact OG-O 2.8Å
160	L	98.4	Very high	95.8	Very high	28 Å²	28	47.7 Å²	47.7	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.6	-173.3	-65.3	177.2	0	0	0	111.9	I158 L190 T191 N220 F227	I158-L160 HydrophobicContact CD1-CD1 3.88Å; I158-L160 HydrophobicContact CD1-CD2 4.01Å; I158-L160 HydrophobicContact CD1-CG 3.98Å; I158-L160 HydrophobicContact CG1-CD1 4.36Å; I158-L160 HydrophobicContact CG1-CG 4.17Å; L160-L190 PolarHBondContact O-N 2.86Å; L160-T191 PolarHBondContact N-O 3.44Å; L160-T191 WeakPolarHBondContact O-CB 3.36Å; L160-T191 PolarHBondContact O-N 3.37Å; L160-T191 PolarHBondContact O-OG1 2.93Å; L160-N220 HydrophobicContact CD1-CB 4.07Å; L160-F227 HydrophobicContact CD1-CZ 4.25Å
161	P	98.5	Very high	95.4	Very high	27 Å²	27	46.9 Å²	46.9	18%	0.175	26%	0.255	C	S	.	.			trans	-68.1	178.7	159.1	32.3	-35	0	0	0	110	L185 E188 N220	P161-L185 CarbonylContact C-O 3.49Å; P161-L185 WeakPolarHBondContact CA-O 3.46Å; P161-L185 WeakPolarHBondContact CB-O 3.29Å; P161-E188 WeakPolarHBondContact CA-O 3.44Å; P161-E188 VanDerWaalsContact CB-O 3.29Å; P161-E188 WeakPolarHBondContact CB-O 3.42Å; P161-N220 PolarHBondContact O-ND2 3.13Å
162	L	98.7	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.			trans	-112.1	130.5	173.7	-66	179.9	0	0	0	110.6	F164 F174 L185 A186 T191 T218 W243	L162-F164 HydrophobicContact CB-CE2 4.19Å; L162-F164 HydrophobicContact CB-CZ 4.43Å; L162-F164 HydrophobicContact CD1-CZ 4.5Å; L162-F164 PolarHBondContact O-N 2.8Å; L162-F174 HydrophobicContact CD1-CZ 4.42Å; L162-L185 HydrophobicContact CD1-CD2 4.03Å; L162-L185 PolarHBondContact N-O 3.26Å; L162-A186 WeakPolarHBondContact O-CA 3.35Å; L162-T191 HydrophobicContact CD1-CG2 4.01Å; L162-T191 HydrophobicContact CD2-CG2 3.82Å; L162-T191 HydrophobicContact CG-CG2 3.73Å; L162-T218 HydrophobicContact CB-CG2 3.96Å; L162-T218 HydrophobicContact CD1-CG2 4.15Å; L162-T218 HydrophobicContact CG-CG2 4.48Å; L162-W243 HydrophobicContact CD1-CZ2 3.87Å
163	N	98.3	Very high	95.3	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.064	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	95.7	172.6	-49.6	-30.3	0	0	0	108.2	R6 T218 T219	R6-N163 WeakPolarHBondContact CD-OD1 3.29Å; R6-N163 HydrophobicContact CG-CB 4.36Å; R6-N163 VanDerWaalsContact NE-CG 3.31Å; R6-N163 PolarHBondContact NE-OD1 3.12Å; R6-N163 PolarHBondContact NH1-OD1 2.87Å; R6-N163 PolarHBondContact NH2-ND2 3.22Å; R6-N163 VanDerWaalsContact NH2-ND2 3.2Å; R6-N163 PolarHBondContact NH2-OD1 3Å; N163-T218 CarbonylContact O-C 3.47Å; N163-T218 WeakPolarHBondContact O-CA 3.4Å; N163-T219 WeakPolarHBondContact CB-O 3.45Å; N163-T219 PolarHBondContact N-O 3.38Å; N163-T219 PolarHBondContact ND2-O 2.86Å; N163-T219 PolarHBondContact O-N 2.87Å
164	F	97.8	Very high	95.3	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.035	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	139	177	-68.9	-85.3	0	0	0	111.5	C9 V10 L13 L162 A168 F174 L182 L185 A186 T218	C9-F164 HydrophobicContact CB-CB 4.21Å; V10-F164 HydrophobicContact CG2-CD2 3.82Å; V10-F164 HydrophobicContact CG2-CE2 4.43Å; V10-F164 HydrophobicContact CG2-CG 4.42Å; L13-F164 HydrophobicContact CD1-CD1 4.11Å; L13-F164 HydrophobicContact CD1-CE1 4.44Å; L13-F164 HydrophobicContact CD1-CG 4.45Å; L162-F164 HydrophobicContact CB-CE2 4.19Å; L162-F164 HydrophobicContact CB-CZ 4.43Å; L162-F164 HydrophobicContact CD1-CZ 4.5Å; L162-F164 PolarHBondContact O-N 2.8Å; F164-A168 HydrophobicContact CB-CB 4.4Å; F164-A168 HydrophobicContact CD1-CB 3.73Å; F164-F174 HydrophobicContact CE1-CD1 4.29Å; F164-F174 AromaticContact CE1-CD2 3.96Å; F164-F174 HydrophobicContact CE1-CD2 3.96Å; F164-F174 HydrophobicContact CE1-CE1 4.35Å; F164-F174 HydrophobicContact CE1-CE2 4.02Å; F164-F174 HydrophobicContact CE1-CG 4.1Å; F164-F174 HydrophobicContact CE1-CZ 4.22Å; F164-L182 HydrophobicContact CE1-CD2 4.07Å; F164-L182 HydrophobicContact CZ-CD2 3.84Å; F164-L185 HydrophobicContact CE2-CB 3.91Å; F164-L185 HydrophobicContact CZ-CB 3.99Å; F164-L185 HydrophobicContact CZ-CD1 4.43Å; F164-A186 HydrophobicContact CD2-CB 4Å; F164-A186 HydrophobicContact CE2-CB 4.12Å; F164-T218 HydrophobicContact CD1-CG2 3.62Å; F164-T218 HydrophobicContact CE1-CG2 3.79Å; F164-T218 HydrophobicContact CG-CG2 4.17Å; F164-T218 HydrophobicContact CZ-CG2 4.47Å
165	T	96.7	Very high	95.1	Very high	33 Å²	33	42.9 Å²	42.9	20%	0.202	22%	0.222	C	C	.	.			trans	-100.6	172.9	172.3	70.3	0	0	0	0	109.9	G167 A168 I216 L217 T219	T165-G167 PolarHBondContact O-N 2.59Å; T165-G167 PolarHBondContact OG1-N 3.17Å; T165-G167 VanDerWaalsContact OG1-N 3.09Å; T165-A168 WeakPolarHBondContact O-CB 3.48Å; T165-A168 PolarHBondContact O-N 2.92Å; T165-A168 VanDerWaalsContact O-N 3.12Å; T165-I216 HydrophobicContact CG2-CG2 3.87Å; T165-I216 PolarHBondContact OG1-O 2.76Å; T165-L217 PolarHBondContact N-O 3.21Å; T165-L217 PolarHBondContact OG1-O 3.01Å; T165-T219 HydrophobicContact CG2-CG2 4.11Å
166	E	91.8	Very high	94.9	Very high	151 Å²	151	46 Å²	46	71%	0.706	24%	0.244	S	C	*	.	H	α-helix	trans	-59.9	-26.2	169.1	-64.8	-178.1	174.8	0	0	112.6	A168 L169	E166-A168 PolarHBondContact O-N 2.75Å; E166-L169 HydrophobicContact CB-CD1 4.32Å; E166-L169 VanDerWaalsContact O-CB 3.24Å; E166-L169 WeakPolarHBondContact O-CB 3.37Å; E166-L169 WeakPolarHBondContact O-CG 3.34Å; E166-L169 PolarHBondContact O-N 2.88Å
167	G	91.4	Very high	94.9	Very high	11 Å²	11	43.3 Å²	43.3	11%	0.113	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-28	176.4	0	0	0	0	0	112.8	T165 L169 G171 N215 I216 L217	T165-G167 PolarHBondContact O-N 2.59Å; T165-G167 PolarHBondContact OG1-N 3.17Å; T165-G167 VanDerWaalsContact OG1-N 3.09Å; G167-L169 VanDerWaalsContact C-N 3.29Å; G167-L169 PolarHBondContact O-N 3.47Å; G167-G171 PolarHBondContact O-N 3.5Å; G167-N215 WeakPolarHBondContact CA-ND2 3.35Å; G167-N215 WeakPolarHBondContact CA-OD1 3.49Å; G167-N215 PolarHBondContact O-ND2 3.15Å; G167-I216 WeakPolarHBondContact CA-O 3.31Å; G167-L217 WeakPolarHBondContact O-CD2 3.48Å
168	A	92.5	Very high	94.9	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-33.8	174.5	0	0	0	0	0	112.9	L13 F164 T165 E166 Q170 G171	L13-A168 HydrophobicContact CD1-CB 4.18Å; L13-A168 HydrophobicContact CD2-CB 4.46Å; L13-A168 WeakPolarHBondContact CD2-O 3.41Å; F164-A168 HydrophobicContact CB-CB 4.4Å; F164-A168 HydrophobicContact CD1-CB 3.73Å; T165-A168 WeakPolarHBondContact O-CB 3.48Å; T165-A168 PolarHBondContact O-N 2.92Å; T165-A168 VanDerWaalsContact O-N 3.12Å; E166-A168 PolarHBondContact O-N 2.75Å; A168-Q170 PolarHBondContact O-N 3.19Å; A168-G171 PolarHBondContact O-N 2.82Å; A168-G171 VanDerWaalsContact O-N 3.11Å
169	L	85.7	Confident	94.7	Very high	54 Å²	54	43.3 Å²	43.3	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-35.1	-176.6	-62.7	171.4	0	0	0	113.5	C9 G12 L13 E166 G167	C9-L169 VanDerWaalsContact O-CD2 3.32Å; C9-L169 WeakPolarHBondContact O-CD2 3.15Å; G12-L169 VanDerWaalsContact CA-CD2 3.47Å; L13-L169 HydrophobicContact CB-CD2 4.3Å; L13-L169 HydrophobicContact CD2-CD2 4.21Å; L13-L169 HydrophobicContact CG-CD2 3.83Å; E166-L169 HydrophobicContact CB-CD1 4.32Å; E166-L169 VanDerWaalsContact O-CB 3.24Å; E166-L169 WeakPolarHBondContact O-CB 3.37Å; E166-L169 WeakPolarHBondContact O-CG 3.34Å; E166-L169 PolarHBondContact O-N 2.88Å; G167-L169 VanDerWaalsContact C-N 3.29Å; G167-L169 PolarHBondContact O-N 3.47Å
170	Q	83.5	Confident	94.6	Very high	175 Å²	175	48.1 Å²	48.1	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	1.6	-177.7	-58.7	175.4	11.5	0	0	111.4	A168	A168-Q170 PolarHBondContact O-N 3.19Å
171	G	90.7	Very high	94.5	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	25%	0.247	C	C	.	.			trans	-77.9	156.8	-176.3	0	0	0	0	0	112.5	G167 A168 E232	G167-G171 PolarHBondContact O-N 3.5Å; A168-G171 PolarHBondContact O-N 2.82Å; A168-G171 VanDerWaalsContact O-N 3.11Å; G171-E232 WeakPolarHBondContact CA-OE1 3.19Å
172	R	97.5	Very high	94.5	Very high	63 Å²	63	45.9 Å²	45.9	24%	0.238	24%	0.24	C	C	.	.	S	Bend	trans	-85.8	-40	178.9	-59.9	178.7	-58.9	-75.8	4.5	111.5	F174 Q175 E232 G233 Y236 Y239 F274	R172-F174 VanDerWaalsContact C-N 3.31Å; R172-F174 PolarHBondContact O-N 3.08Å; R172-Q175 WeakPolarHBondContact O-CB 3.36Å; R172-Q175 PolarHBondContact O-N 2.84Å; R172-E232 IonicContact CZ-OE1 3.54Å; R172-E232 VanDerWaalsContact N-CD 3.3Å; R172-E232 PolarHBondContact N-OE1 2.82Å; R172-E232 PolarHBondContact N-OE2 2.87Å; R172-E232 IonicContact NH1-OE1 3.12Å; R172-E232 PolarHBondContact NH1-OE1 2.73Å; R172-E232 VanDerWaalsContact NH1-OE1 3.12Å; R172-G233 VanDerWaalsContact CZ-O 3.31Å; R172-G233 PolarHBondContact NH1-O 3.48Å; R172-G233 PolarHBondContact NH2-O 3.37Å; R172-Y236 PolarHBondContact NH2-O 3.01Å; R172-Y239 PolarHBondContact NE-OH 3.2Å; R172-Y239 PolarHBondContact NH2-OH 3.4Å; R172-F274 HydrophobicContact CB-CE2 3.93Å; R172-F274 HydrophobicContact CB-CZ 4.04Å; R172-F274 WeakPolarHBondContact O-CE2 3.42Å
173	M	98.2	Very high	94.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-39.7	-169.8	-174.5	-178.5	-63.5	0	0	114.3	W131 F177 L217 E232 Y239 V241 L271 F274	W131-M173 HydrophobicContact CH2-CE 4.05Å; W131-M173 HydrophobicContact CH2-CG 4.49Å; W131-M173 HydrophobicContact CH2-SD 4.1Å; W131-M173 HydrophobicContact CZ3-CE 4.04Å; M173-F177 WeakPolarHBondContact O-CE2 3.43Å; M173-L217 HydrophobicContact CB-CD1 3.69Å; M173-L217 HydrophobicContact CE-CD1 4.12Å; M173-L217 HydrophobicContact CG-CD1 4.4Å; M173-L217 HydrophobicContact SD-CD1 3.98Å; M173-E232 WeakPolarHBondContact CB-OE2 3.46Å; M173-E232 PolarHBondContact N-OE2 2.86Å; M173-Y239 HydrophobicContact CE-CD1 3.89Å; M173-Y239 HydrophobicContact CE-CG 4.24Å; M173-V241 HydrophobicContact SD-CG1 4.23Å; M173-L271 HydrophobicContact CG-CD2 3.64Å; M173-L271 HydrophobicContact SD-CD2 3.96Å; M173-F274 HydrophobicContact CB-CD1 4.39Å; M173-F274 HydrophobicContact CB-CE1 4.03Å; M173-F274 HydrophobicContact CB-CZ 4.21Å; M173-F274 HydrophobicContact CG-CD1 4.08Å; M173-F274 HydrophobicContact CG-CE1 4.09Å
174	F	97.6	Very high	94.4	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	5.3	-175.4	-64.1	-65.4	0	0	0	113.5	L162 F164 R172 S176 F177 L182 L217 T218 L271	L162-F174 HydrophobicContact CD1-CZ 4.42Å; F164-F174 HydrophobicContact CE1-CD1 4.29Å; F164-F174 AromaticContact CE1-CD2 3.96Å; F164-F174 HydrophobicContact CE1-CD2 3.96Å; F164-F174 HydrophobicContact CE1-CE1 4.35Å; F164-F174 HydrophobicContact CE1-CE2 4.02Å; F164-F174 HydrophobicContact CE1-CG 4.1Å; F164-F174 HydrophobicContact CE1-CZ 4.22Å; R172-F174 VanDerWaalsContact C-N 3.31Å; R172-F174 PolarHBondContact O-N 3.08Å; F174-S176 VanDerWaalsContact C-N 3.33Å; F174-S176 PolarHBondContact O-N 3.13Å; F174-F177 HydrophobicContact CB-CD2 4.5Å; F174-F177 HydrophobicContact CD1-CD1 4.18Å; F174-F177 HydrophobicContact CD1-CD2 4.12Å; F174-F177 HydrophobicContact CD1-CE1 4.13Å; F174-F177 HydrophobicContact CD1-CE2 4.05Å; F174-F177 HydrophobicContact CD1-CG 4.19Å; F174-F177 HydrophobicContact CD1-CZ 4.08Å; F174-F177 HydrophobicContact CE1-CE1 4.38Å; F174-F177 HydrophobicContact CE1-CZ 4.33Å; F174-F177 WeakPolarHBondContact O-CB 3.09Å; F174-F177 PolarHBondContact O-N 2.87Å; F174-L182 HydrophobicContact CB-CD2 4.06Å; F174-L182 HydrophobicContact CD1-CD2 4.16Å; F174-L182 HydrophobicContact CG-CD2 4.34Å; F174-L217 HydrophobicContact CD2-CB 4.26Å; F174-L217 HydrophobicContact CD2-CD1 3.98Å; F174-L217 HydrophobicContact CE2-CB 3.84Å; F174-L217 HydrophobicContact CE2-CD1 3.8Å; F174-L217 HydrophobicContact CE2-CG 4.49Å; F174-T218 HydrophobicContact CE2-CG2 4.03Å; F174-T218 HydrophobicContact CZ-CG2 4.29Å; F174-L271 HydrophobicContact CD1-CD2 4.48Å; F174-L271 HydrophobicContact CE1-CD2 3.99Å
175	Q	93.7	Very high	94.4	Very high	143 Å²	143	48.1 Å²	48.1	67%	0.668	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.9	-170.2	-169.7	177.4	27.9	0	0	113.5	R172	R172-Q175 WeakPolarHBondContact O-CB 3.36Å; R172-Q175 PolarHBondContact O-N 2.84Å
176	S	93.2	Very high	94.5	Very high	66 Å²	66	46.7 Å²	46.7	46%	0.462	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.8	179.8	59.4	0	0	0	0	113.8	F174	F174-S176 VanDerWaalsContact C-N 3.33Å; F174-S176 PolarHBondContact O-N 3.13Å
177	F	96.4	Very high	94.7	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.057	23%	0.234	C	C	.	.	S	Bend	trans	-73.2	138.1	-177.8	-84.7	-122.8	0	0	0	110.8	M173 F174 A179 L181 L182 L185 T267 Y270 L271	M173-F177 WeakPolarHBondContact O-CE2 3.43Å; F174-F177 HydrophobicContact CB-CD2 4.5Å; F174-F177 HydrophobicContact CD1-CD1 4.18Å; F174-F177 HydrophobicContact CD1-CD2 4.12Å; F174-F177 HydrophobicContact CD1-CE1 4.13Å; F174-F177 HydrophobicContact CD1-CE2 4.05Å; F174-F177 HydrophobicContact CD1-CG 4.19Å; F174-F177 HydrophobicContact CD1-CZ 4.08Å; F174-F177 HydrophobicContact CE1-CE1 4.38Å; F174-F177 HydrophobicContact CE1-CZ 4.33Å; F174-F177 WeakPolarHBondContact O-CB 3.09Å; F174-F177 PolarHBondContact O-N 2.87Å; F177-A179 PolarHBondContact O-N 3.36Å; F177-L181 HydrophobicContact CD1-CD2 3.78Å; F177-L181 HydrophobicContact CD1-CG 4.2Å; F177-L181 HydrophobicContact CE1-CD2 4.07Å; F177-L182 HydrophobicContact CB-CD1 4.12Å; F177-L182 HydrophobicContact CB-CD2 3.66Å; F177-L182 HydrophobicContact CB-CG 3.75Å; F177-L182 HydrophobicContact CD1-CD2 4.09Å; F177-L182 HydrophobicContact CG-CD2 4.09Å; F177-L185 HydrophobicContact CD1-CD1 4.06Å; F177-L185 HydrophobicContact CE1-CD1 3.98Å; F177-T267 HydrophobicContact CE1-CG2 4.35Å; F177-Y270 HydrophobicContact CD2-CD1 4.45Å; F177-Y270 VanDerWaalsContact CE2-CB 3.47Å; F177-Y270 HydrophobicContact CE2-CG 4.45Å; F177-Y270 HydrophobicContact CZ-CG 4.43Å; F177-L271 HydrophobicContact CE2-CD2 3.85Å; F177-L271 HydrophobicContact CE2-CG 4.49Å; F177-L271 HydrophobicContact CZ-CD2 3.49Å; F177-L271 VanDerWaalsContact CZ-CD2 3.49Å; F177-L271 HydrophobicContact CZ-CG 3.75Å
178	P	96.4	Very high	95.1	Very high	35 Å²	35	46.2 Å²	46.2	23%	0.227	24%	0.244	C	C	.	.			trans	-58	137.1	170.1	-24.9	34.2	0	0	0	111.1	E180 L181 L182 Y270	P178-E180 VanDerWaalsContact C-N 3.28Å; P178-E180 HydrophobicContact CB-CG 4.02Å; P178-E180 PolarHBondContact O-N 3.17Å; P178-L181 HydrophobicContact CB-CB 4.18Å; P178-L181 HydrophobicContact CG-CB 4.48Å; P178-L181 WeakPolarHBondContact O-CA 3.33Å; P178-L181 WeakPolarHBondContact O-CB 3.18Å; P178-L181 PolarHBondContact O-N 2.94Å; P178-L182 PolarHBondContact O-N 3.44Å; P178-L182 VanDerWaalsContact O-N 3.09Å; P178-Y270 VanDerWaalsContact CD-CE1 3.49Å; P178-Y270 VanDerWaalsContact CD-CZ 3.43Å; P178-Y270 HydrophobicContact CG-CE1 4.04Å; P178-Y270 HydrophobicContact CG-CE2 4.04Å; P178-Y270 VanDerWaalsContact CG-OH 3.27Å; P178-Y270 WeakPolarHBondContact CG-OH 3.47Å
179	A	93.6	Very high	95.3	Very high	50 Å²	50	49.7 Å²	49.7	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-41	-53.7	173.4	0	0	0	0	0	113.7	L14 F177 L181 L182 V183	L14-A179 HydrophobicContact CD2-CB 3.08Å; L14-A179 HydrophobicContact CG-CB 4.5Å; F177-A179 PolarHBondContact O-N 3.36Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 2.93Å; A179-L182 PolarHBondContact O-N 3.5Å; A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 3.44Å; A179-V183 VanDerWaalsContact O-N 3.09Å
180	E	95.4	Very high	95.9	Very high	130 Å²	130	47.5 Å²	47.5	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-60.1	-36.5	178.9	60.3	-173.5	-148.9	0	0	112.8	P178 V183 S184	P178-E180 VanDerWaalsContact C-N 3.28Å; P178-E180 HydrophobicContact CB-CG 4.02Å; P178-E180 PolarHBondContact O-N 3.17Å; E180-V183 PolarHBondContact O-N 3.28Å; E180-S184 PolarHBondContact O-N 2.92Å; E180-S184 PolarHBondContact O-OG 3.01Å
181	L	97.5	Very high	96.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-71.9	-36.7	-179.7	-174.4	59.9	0	0	0	111	F177 P178 A179 S184 L185 N263 K266 Y270	F177-L181 HydrophobicContact CD1-CD2 3.78Å; F177-L181 HydrophobicContact CD1-CG 4.2Å; F177-L181 HydrophobicContact CE1-CD2 4.07Å; P178-L181 HydrophobicContact CB-CB 4.18Å; P178-L181 HydrophobicContact CG-CB 4.48Å; P178-L181 WeakPolarHBondContact O-CA 3.33Å; P178-L181 WeakPolarHBondContact O-CB 3.18Å; P178-L181 PolarHBondContact O-N 2.94Å; A179-L181 VanDerWaalsContact C-N 3.29Å; A179-L181 PolarHBondContact O-N 2.93Å; L181-S184 PolarHBondContact O-N 2.79Å; L181-L185 HydrophobicContact CG-CD1 4.39Å; L181-L185 WeakPolarHBondContact O-CB 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 3.5Å; L181-N263 HydrophobicContact CD1-CB 3.91Å; L181-K266 HydrophobicContact CD1-CB 4.17Å; L181-K266 HydrophobicContact CD2-CB 4.07Å; L181-Y270 HydrophobicContact CD2-CD2 3.71Å; L181-Y270 HydrophobicContact CD2-CE2 4.14Å; L181-Y270 HydrophobicContact CD2-CG 4.34Å
182	L	97.2	Very high	97	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-40.8	173.3	-65.5	171.3	0	0	0	111.6	V10 L13 F164 F174 F177 P178 A179 L185 A186	V10-L182 HydrophobicContact CG1-CB 4.35Å; L13-L182 HydrophobicContact CB-CD1 4.1Å; L13-L182 HydrophobicContact CD1-CD1 4.02Å; L13-L182 HydrophobicContact CD1-CD2 4.48Å; F164-L182 HydrophobicContact CE1-CD2 4.07Å; F164-L182 HydrophobicContact CZ-CD2 3.84Å; F174-L182 HydrophobicContact CB-CD2 4.06Å; F174-L182 HydrophobicContact CD1-CD2 4.16Å; F174-L182 HydrophobicContact CG-CD2 4.34Å; F177-L182 HydrophobicContact CB-CD1 4.12Å; F177-L182 HydrophobicContact CB-CD2 3.66Å; F177-L182 HydrophobicContact CB-CG 3.75Å; F177-L182 HydrophobicContact CD1-CD2 4.09Å; F177-L182 HydrophobicContact CG-CD2 4.09Å; P178-L182 PolarHBondContact O-N 3.44Å; P178-L182 VanDerWaalsContact O-N 3.09Å; A179-L182 PolarHBondContact O-N 3.5Å; L182-L185 PolarHBondContact O-N 3.2Å; L182-A186 PolarHBondContact O-N 3.44Å
183	V	97.2	Very high	97.1	Very high	48 Å²	48	36.1 Å²	36.1	29%	0.291	20%	0.203	S	C	.	.	H	α-helix	trans	-61.7	-47.8	173.4	174.3	0	0	0	0	110.7	V10 A179 E180 L185 A186 L187	V10-V183 HydrophobicContact CG1-CB 4.43Å; V10-V183 HydrophobicContact CG1-CG2 3.56Å; A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 3.44Å; A179-V183 VanDerWaalsContact O-N 3.09Å; E180-V183 PolarHBondContact O-N 3.28Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 3.09Å; V183-A186 WeakPolarHBondContact O-CB 3.32Å; V183-A186 PolarHBondContact O-N 3.37Å; V183-A186 VanDerWaalsContact O-N 3.09Å; V183-L187 HydrophobicContact CG1-CD1 3.79Å; V183-L187 WeakPolarHBondContact O-CG 3.19Å; V183-L187 PolarHBondContact O-N 3.38Å
184	S	98.1	Very high	97.1	Very high	18 Å²	18	38.2 Å²	38.2	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-42.7	176	-77.4	0	0	0	0	112.1	E180 L181 A186 L187 E188 N263	E180-S184 PolarHBondContact O-N 2.92Å; E180-S184 PolarHBondContact O-OG 3.01Å; L181-S184 PolarHBondContact O-N 2.79Å; S184-A186 PolarHBondContact O-N 2.81Å; S184-L187 PolarHBondContact O-N 2.96Å; S184-L187 VanDerWaalsContact O-N 3.16Å; S184-E188 WeakPolarHBondContact CB-OE1 3.21Å; S184-E188 WeakPolarHBondContact O-CB 3.43Å; S184-E188 PolarHBondContact O-N 3.31Å; S184-E188 PolarHBondContact OG-OE1 2.83Å; S184-N263 WeakPolarHBondContact CB-ND2 3.42Å; S184-N263 PolarHBondContact OG-ND2 3.3Å
185	L	98.3	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-33.4	174.4	-80.4	164.8	0	0	0	112.7	P161 L162 F164 F177 L181 L182 V183 L190 T191 T267	P161-L185 CarbonylContact C-O 3.49Å; P161-L185 WeakPolarHBondContact CA-O 3.46Å; P161-L185 WeakPolarHBondContact CB-O 3.29Å; L162-L185 HydrophobicContact CD1-CD2 4.03Å; L162-L185 PolarHBondContact N-O 3.26Å; F164-L185 HydrophobicContact CE2-CB 3.91Å; F164-L185 HydrophobicContact CZ-CB 3.99Å; F164-L185 HydrophobicContact CZ-CD1 4.43Å; F177-L185 HydrophobicContact CD1-CD1 4.06Å; F177-L185 HydrophobicContact CE1-CD1 3.98Å; L181-L185 HydrophobicContact CG-CD1 4.39Å; L181-L185 WeakPolarHBondContact O-CB 3.27Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 3.5Å; L182-L185 PolarHBondContact O-N 3.2Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 3.09Å; L185-L190 HydrophobicContact CD2-CB 4.13Å; L185-L190 HydrophobicContact CD2-CD1 4.03Å; L185-L190 HydrophobicContact CG-CD1 4.22Å; L185-T191 HydrophobicContact CD2-CG2 4.14Å; L185-T267 HydrophobicContact CD1-CG2 4.05Å; L185-T267 HydrophobicContact CD2-CG2 3.76Å; L185-T267 HydrophobicContact CG-CG2 4.44Å
186	A	97.9	Very high	97.3	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-76.5	-21.8	179.1	0	0	0	0	0	114.3	V10 L162 F164 L182 V183 S184	V10-A186 HydrophobicContact CG2-CB 3.66Å; L162-A186 WeakPolarHBondContact O-CA 3.35Å; F164-A186 HydrophobicContact CD2-CB 4Å; F164-A186 HydrophobicContact CE2-CB 4.12Å; L182-A186 PolarHBondContact O-N 3.44Å; V183-A186 WeakPolarHBondContact O-CB 3.32Å; V183-A186 PolarHBondContact O-N 3.37Å; V183-A186 VanDerWaalsContact O-N 3.09Å; S184-A186 PolarHBondContact O-N 2.81Å
187	L	97.4	Very high	97.6	Very high	84 Å²	84	40.6 Å²	40.6	44%	0.44	21%	0.209	S	C	.	.	H	α-helix	trans	-116	-34.1	-169.3	-63.2	179.4	0	0	0	113.9	A2 L7 V183 S184	A2-L187 HydrophobicContact CB-CD2 3.57Å; L7-L187 HydrophobicContact CD2-CD2 4.47Å; V183-L187 HydrophobicContact CG1-CD1 3.79Å; V183-L187 WeakPolarHBondContact O-CG 3.19Å; V183-L187 PolarHBondContact O-N 3.38Å; S184-L187 PolarHBondContact O-N 2.96Å; S184-L187 VanDerWaalsContact O-N 3.16Å
188	E	98.2	Very high	97.7	Very high	69 Å²	69	40 Å²	40	32%	0.322	21%	0.206	S	C	.	.	S	Bend	trans	-100.8	144.8	-172.3	-63.9	167.9	-135.9	0	0	111.4	P161 S184 L190 N263	P161-E188 WeakPolarHBondContact CA-O 3.44Å; P161-E188 VanDerWaalsContact CB-O 3.29Å; P161-E188 WeakPolarHBondContact CB-O 3.42Å; S184-E188 WeakPolarHBondContact CB-OE1 3.21Å; S184-E188 WeakPolarHBondContact O-CB 3.43Å; S184-E188 PolarHBondContact O-N 3.31Å; S184-E188 PolarHBondContact OG-OE1 2.83Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 HydrophobicContact CB-CD1 4.17Å; E188-L190 HydrophobicContact CB-CD2 3.71Å; E188-L190 HydrophobicContact CB-CG 3.68Å; E188-L190 PolarHBondContact O-N 3.03Å; E188-N263 PolarHBondContact OE2-ND2 2.7Å
189	P	98.2	Very high	97.8	Very high	75 Å²	75	38.3 Å²	38.3	49%	0.487	20%	0.195	S	C	.	.			trans	-72.5	86	173.3	31.2	-33.9	0	0	0	110.3	S159 S259	S159-P189 WeakPolarHBondContact O-CB 3.13Å; S159-P189 VanDerWaalsContact OG-C 3.24Å; S159-P189 PolarHBondContact OG-O 3.03Å; P189-S259 WeakPolarHBondContact O-CB 3.47Å; P189-S259 PolarHBondContact O-OG 3.31Å
190	L	98.6	Very high	98.1	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.042	18%	0.178	C	C	.	.			trans	-106.6	-22.3	-173	-60.6	-174.3	0	0	0	114.1	L160 L185 E188 A261 N263 S264	L160-L190 PolarHBondContact O-N 2.86Å; L185-L190 HydrophobicContact CD2-CB 4.13Å; L185-L190 HydrophobicContact CD2-CD1 4.03Å; L185-L190 HydrophobicContact CG-CD1 4.22Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 HydrophobicContact CB-CD1 4.17Å; E188-L190 HydrophobicContact CB-CD2 3.71Å; E188-L190 HydrophobicContact CB-CG 3.68Å; E188-L190 PolarHBondContact O-N 3.03Å; L190-A261 HydrophobicContact CD2-CB 3.96Å; L190-N263 HydrophobicContact CD1-CB 3.58Å; L190-N263 HydrophobicContact CD2-CB 4.14Å; L190-S264 VanDerWaalsContact CA-OG 3.23Å; L190-S264 WeakPolarHBondContact CA-OG 3.21Å; L190-S264 WeakPolarHBondContact CB-OG 3.48Å; L190-S264 WeakPolarHBondContact CD2-OG 3.42Å; L190-S264 PolarHBondContact O-OG 3.44Å
191	T	98.8	Very high	98.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.6	-169.4	69.2	0	0	0	0	112.1	S159 L160 L162 L185 N193 W243	S159-T191 VanDerWaalsContact CA-O 3.26Å; S159-T191 WeakPolarHBondContact CA-O 3.47Å; S159-T191 PolarHBondContact OG-O 2.8Å; L160-T191 PolarHBondContact N-O 3.44Å; L160-T191 WeakPolarHBondContact O-CB 3.36Å; L160-T191 PolarHBondContact O-N 3.37Å; L160-T191 PolarHBondContact O-OG1 2.93Å; L162-T191 HydrophobicContact CD1-CG2 4.01Å; L162-T191 HydrophobicContact CD2-CG2 3.82Å; L162-T191 HydrophobicContact CG-CG2 3.73Å; L185-T191 HydrophobicContact CD2-CG2 4.14Å; T191-N193 PolarHBondContact O-ND2 2.68Å; T191-N193 VanDerWaalsContact O-ND2 3.11Å; T191-N193 PolarHBondContact OG1-ND2 3.38Å; T191-W243 HydrophobicContact CG2-CD2 3.73Å; T191-W243 HydrophobicContact CG2-CE3 3.65Å; T191-W243 HydrophobicContact CG2-CG 4.33Å; T191-W243 HydrophobicContact CG2-CH2 4Å; T191-W243 HydrophobicContact CG2-CZ2 4.12Å; T191-W243 HydrophobicContact CG2-CZ3 3.77Å
192	A	98.7	Very high	98.3	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.9	-174.9	0	0	0	0	0	112	F194 W243 H244 K247 G257	A192-F194 HydrophobicContact CB-CD2 4.19Å; A192-F194 HydrophobicContact CB-CE2 3.96Å; A192-W243 CarbonylContact O-C 3.59Å; A192-W243 WeakPolarHBondContact O-CA 3.34Å; A192-W243 WeakPolarHBondContact O-CB 3.26Å; A192-H244 HydrophobicContact CB-CB 4.12Å; A192-H244 PolarHBondContact O-N 3Å; A192-K247 HydrophobicContact CB-CB 4.27Å; A192-K247 HydrophobicContact CB-CD 4.28Å; A192-G257 VanDerWaalsContact CA-O 3.27Å; A192-G257 WeakPolarHBondContact CA-O 2.95Å; A192-G257 WeakPolarHBondContact CB-O 3.42Å
193	N	98.8	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.2	179.6	-69.3	-98.3	0	0	0	110.2	T155 S157 I158 T191 H195	T155-N193 CarbonylContact O-C 3.2Å; T155-N193 WeakPolarHBondContact O-CB 3.49Å; T155-N193 VanDerWaalsContact O-O 3.12Å; S157-N193 VanDerWaalsContact CA-O 3.32Å; S157-N193 WeakPolarHBondContact CA-O 3.07Å; S157-N193 PolarHBondContact N-O 2.85Å; I158-N193 HydrophobicContact CG1-CB 3.9Å; I158-N193 PolarHBondContact N-O 2.76Å; I158-N193 WeakPolarHBondContact O-CB 3.47Å; I158-N193 PolarHBondContact O-N 3.38Å; T191-N193 PolarHBondContact O-ND2 2.68Å; T191-N193 VanDerWaalsContact O-ND2 3.11Å; T191-N193 PolarHBondContact OG1-ND2 3.38Å; N193-H195 PolarHBondContact OD1-NE2 3.45Å
194	F	98.3	Very high	98.4	Very high	45 Å²	45	37.1 Å²	37.1	20%	0.197	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	36.1	-176.1	-74.6	-86.1	0	0	0	111.4	S157 A192 K247 L255 I258	S157-F194 VanDerWaalsContact CA-CE1 3.46Å; S157-F194 VanDerWaalsContact CB-CE1 3.47Å; A192-F194 HydrophobicContact CB-CD2 4.19Å; A192-F194 HydrophobicContact CB-CE2 3.96Å; F194-K247 HydrophobicContact CD2-CD 3.85Å; F194-K247 HydrophobicContact CE2-CD 3.93Å; F194-L255 HydrophobicContact CE1-CB 4.06Å; F194-L255 HydrophobicContact CE1-CD1 3.75Å; F194-L255 HydrophobicContact CE1-CG 4.42Å; F194-L255 HydrophobicContact CZ-CB 3.92Å; F194-L255 HydrophobicContact CZ-CD1 4.08Å; F194-I258 HydrophobicContact CE2-CG1 3.68Å; F194-I258 HydrophobicContact CZ-CD1 4.38Å; F194-I258 HydrophobicContact CZ-CG1 3.67Å
195	H	98.3	Very high	98.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.6	-178	52.7	92.4	0	0	0	110.2	T155 V156 N193 W197 S198 F227 Q242	T155-H195 CarbonylContact C-O 3.28Å; T155-H195 VanDerWaalsContact C-O 3.28Å; T155-H195 WeakPolarHBondContact CB-CE1 3.22Å; T155-H195 PolarHBondContact OG1-CE1 3.05Å; T155-H195 PolarHBondContact OG1-ND1 3.03Å; T155-H195 PolarHBondContact OG1-O 2.73Å; V156-H195 VanDerWaalsContact CG2-O 3.28Å; V156-H195 WeakPolarHBondContact CG2-O 3.49Å; V156-H195 PolarHBondContact N-O 3.39Å; N193-H195 PolarHBondContact OD1-NE2 3.45Å; H195-W197 PolarHBondContact ND1-O 3.42Å; H195-S198 PolarHBondContact CE1-OG 3.11Å; H195-S198 PolarHBondContact ND1-OG 3.13Å; H195-F227 AromaticContact CE1-CE2 3.7Å; H195-F227 AromaticContact CE1-CZ 3.94Å; H195-Q242 PolarHBondContact CD2-O 3.22Å; H195-Q242 WeakPolarHBondContact NE2-CG 3.3Å
196	K	97.9	Very high	98.4	Very high	135 Å²	135	45.7 Å²	45.7	59%	0.587	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	-21.2	171.5	-68.1	-178.1	178.7	-175.4	0	111.9	L152 T153 V156	L152-K196 WeakPolarHBondContact CA-O 3.26Å; L152-K196 HydrophobicContact CD1-CB 4.3Å; L152-K196 WeakPolarHBondContact CD1-O 3.35Å; T153-K196 PolarHBondContact N-O 3.12Å; V156-K196 HydrophobicContact CG2-CB 4.49Å; V156-K196 HydrophobicContact CG2-CG 3.57Å
197	W	98.6	Very high	98.4	Very high	123 Å²	123	46.2 Å²	46.2	47%	0.466	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.1	-170.7	-61.4	105.1	0	0	0	108.3	L150 T151 L152 H195	L150-W197 HydrophobicContact CB-CB 4.06Å; L150-W197 HydrophobicContact CB-CE3 4.36Å; L150-W197 HydrophobicContact CD1-CB 3.96Å; T151-W197 CarbonylContact O-C 3.59Å; T151-W197 WeakPolarHBondContact O-CA 3.38Å; L152-W197 HydrophobicContact CB-CE3 4.23Å; L152-W197 HydrophobicContact CB-CZ3 3.97Å; L152-W197 HydrophobicContact CD1-CD2 4.34Å; L152-W197 HydrophobicContact CD1-CE3 4.35Å; L152-W197 HydrophobicContact CD1-CH2 4.18Å; L152-W197 HydrophobicContact CD1-CZ2 4.18Å; L152-W197 HydrophobicContact CD1-CZ3 4.27Å; H195-W197 PolarHBondContact ND1-O 3.42Å
198	S	98.8	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.9	-179.4	-78.4	0	0	0	0	110.5	L150 T151 T153 H195 S200	L150-S198 WeakPolarHBondContact CA-O 3.28Å; T151-S198 PolarHBondContact N-O 3.22Å; T151-S198 PolarHBondContact O-N 3.23Å; T153-S198 PolarHBondContact OG1-OG 3.09Å; T153-S198 VanDerWaalsContact OG1-OG 3.08Å; H195-S198 PolarHBondContact CE1-OG 3.11Å; H195-S198 PolarHBondContact ND1-OG 3.13Å; S198-S200 PolarHBondContact O-N 2.93Å
199	L	98.9	Very high	98.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	105.8	169	-177.9	60.9	0	0	0	109.3	F137 L149 L150 N203 F204 L210 F227 I228	F137-L199 HydrophobicContact CE1-CB 3.8Å; F137-L199 HydrophobicContact CE1-CD2 4.36Å; F137-L199 HydrophobicContact CZ-CB 4.21Å; F137-L199 HydrophobicContact CZ-CD2 4.33Å; L149-L199 HydrophobicContact CB-CD1 3.89Å; L150-L199 HydrophobicContact CD2-CB 4.33Å; L199-N203 HydrophobicContact CD1-CB 4.38Å; L199-F204 HydrophobicContact CD2-CB 4.35Å; L199-F204 HydrophobicContact CD2-CD2 3.88Å; L199-F204 HydrophobicContact CG-CB 4.27Å; L199-L210 HydrophobicContact CD1-CD1 4.22Å; L199-L210 HydrophobicContact CD2-CD1 4.11Å; L199-F227 WeakPolarHBondContact O-CA 3.37Å; L199-F227 WeakPolarHBondContact O-CB 3.4Å; L199-I228 HydrophobicContact CD2-CD1 4Å; L199-I228 HydrophobicContact CG-CD1 4.2Å; L199-I228 PolarHBondContact O-N 3.4Å
200	S	98.8	Very high	98.5	Very high	8 Å²	8	49.9 Å²	49.9	6%	0.056	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-63.7	146.6	177.8	72.3	0	0	0	0	110.8	S198 K202 N203 F204 E226	S198-S200 PolarHBondContact O-N 2.93Å; S200-K202 PolarHBondContact O-N 3.48Å; S200-N203 PolarHBondContact O-N 2.71Å; S200-N203 WeakPolarHBondContact OG-CB 3.33Å; S200-N203 PolarHBondContact OG-N 2.85Å; S200-N203 VanDerWaalsContact OG-N 3.11Å; S200-N203 PolarHBondContact OG-ND2 2.67Å; S200-N203 PolarHBondContact OG-OD1 2.83Å; S200-F204 PolarHBondContact O-N 2.91Å; S200-E226 WeakPolarHBondContact CA-O 3.29Å
201	V	98.7	Very high	98.5	Very high	30 Å²	30	52.8 Å²	52.8	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-39.7	176	175	0	0	0	0	110	F204 T205 T219 E226 I228	V201-F204 PolarHBondContact O-N 3.34Å; V201-T205 HydrophobicContact CG1-CG2 4.17Å; V201-T205 VanDerWaalsContact O-CG2 3.31Å; V201-T205 WeakPolarHBondContact O-CG2 3.32Å; V201-T205 PolarHBondContact O-N 2.9Å; V201-T205 PolarHBondContact O-OG1 3.14Å; V201-T205 VanDerWaalsContact O-OG1 3.1Å; V201-T219 HydrophobicContact CG2-CG2 3.75Å; V201-E226 HydrophobicContact CG2-CB 4.24Å; V201-E226 HydrophobicContact CG2-CG 3.76Å; V201-E226 PolarHBondContact N-O 3.06Å; V201-I228 HydrophobicContact CG2-CG1 4.24Å
202	K	98.4	Very high	98.4	Very high	133 Å²	133	61 Å²	61	58%	0.578	28%	0.28	S	S	*	.	H	α-helix	trans	-54.4	-59.1	175.1	-177.5	-176.9	174.4	-174.3	0	111.9	S200 F204 T205 E206	S200-K202 PolarHBondContact O-N 3.48Å; K202-F204 VanDerWaalsContact C-N 3.25Å; K202-F204 PolarHBondContact O-N 3.3Å; K202-T205 PolarHBondContact O-N 3.04Å; K202-T205 VanDerWaalsContact O-N 3.08Å; K202-T205 PolarHBondContact O-OG1 3.17Å; K202-E206 WeakPolarHBondContact CE-OE1 3.45Å; K202-E206 WeakPolarHBondContact CG-OE1 3.45Å; K202-E206 WeakPolarHBondContact O-CG 3.47Å; K202-E206 PolarHBondContact O-N 2.87Å
203	N	98.6	Very high	98.4	Very high	38 Å²	38	62.1 Å²	62.1	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-35.2	-176.8	-67.6	-4.6	0	0	0	111.8	L149 T151 L199 S200 N207	L149-N203 HydrophobicContact CB-CB 4.26Å; L149-N203 PolarHBondContact O-ND2 3.26Å; T151-N203 PolarHBondContact OG1-ND2 3.07Å; L199-N203 HydrophobicContact CD1-CB 4.38Å; S200-N203 PolarHBondContact O-N 2.71Å; S200-N203 WeakPolarHBondContact OG-CB 3.33Å; S200-N203 PolarHBondContact OG-N 2.85Å; S200-N203 VanDerWaalsContact OG-N 3.11Å; S200-N203 PolarHBondContact OG-ND2 2.67Å; S200-N203 PolarHBondContact OG-OD1 2.83Å; N203-N207 WeakPolarHBondContact O-CB 3.22Å; N203-N207 PolarHBondContact O-N 3.06Å
204	F	98.7	Very high	98.4	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-47.6	173.5	178.1	-83.3	0	0	0	112.2	L199 S200 V201 K202 E206 N207 L210 N211 F214 I216 I228 M231	L199-F204 HydrophobicContact CD2-CB 4.35Å; L199-F204 HydrophobicContact CD2-CD2 3.88Å; L199-F204 HydrophobicContact CG-CB 4.27Å; S200-F204 PolarHBondContact O-N 2.91Å; V201-F204 PolarHBondContact O-N 3.34Å; K202-F204 VanDerWaalsContact C-N 3.25Å; K202-F204 PolarHBondContact O-N 3.3Å; F204-E206 VanDerWaalsContact C-N 3.34Å; F204-E206 PolarHBondContact O-N 2.73Å; F204-N207 PolarHBondContact O-N 2.91Å; F204-L210 HydrophobicContact CD2-CB 3.73Å; F204-L210 HydrophobicContact CD2-CD1 4.21Å; F204-L210 HydrophobicContact CD2-CG 4.41Å; F204-L210 HydrophobicContact CE2-CB 3.81Å; F204-L210 HydrophobicContact CG-CB 4.34Å; F204-L210 HydrophobicContact CZ-CB 4.45Å; F204-L210 WeakPolarHBondContact CZ-O 3.3Å; F204-N211 HydrophobicContact CE1-CB 4.36Å; F204-F214 HydrophobicContact CE2-CB 3.75Å; F204-F214 HydrophobicContact CE2-CD2 4.4Å; F204-F214 HydrophobicContact CZ-CB 3.83Å; F204-I216 HydrophobicContact CD1-CD1 3.61Å; F204-I216 HydrophobicContact CD1-CG1 4.13Å; F204-I216 HydrophobicContact CE1-CD1 3.61Å; F204-I216 HydrophobicContact CE1-CG1 3.71Å; F204-I216 HydrophobicContact CE2-CG1 4.32Å; F204-I216 HydrophobicContact CG-CD1 4.24Å; F204-I216 HydrophobicContact CZ-CD1 4.23Å; F204-I216 HydrophobicContact CZ-CG1 3.82Å; F204-I228 HydrophobicContact CB-CD1 3.39Å; F204-I228 HydrophobicContact CD1-CD1 4.01Å; F204-I228 HydrophobicContact CD2-CD1 3.2Å; F204-I228 HydrophobicContact CE2-CD1 3.91Å; F204-I228 HydrophobicContact CG-CD1 3.26Å; F204-M231 HydrophobicContact CE2-SD 4.36Å
205	T	97.4	Very high	98.5	Very high	74 Å²	74	61 Å²	61	45%	0.454	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-34.4	-177.5	54.5	0	0	0	0	112.8	V201 K202 N207	V201-T205 HydrophobicContact CG1-CG2 4.17Å; V201-T205 VanDerWaalsContact O-CG2 3.31Å; V201-T205 WeakPolarHBondContact O-CG2 3.32Å; V201-T205 PolarHBondContact O-N 2.9Å; V201-T205 PolarHBondContact O-OG1 3.14Å; V201-T205 VanDerWaalsContact O-OG1 3.1Å; K202-T205 PolarHBondContact O-N 3.04Å; K202-T205 VanDerWaalsContact O-N 3.08Å; K202-T205 PolarHBondContact O-OG1 3.17Å; T205-N207 VanDerWaalsContact C-N 3.34Å
206	E	98.3	Very high	98.5	Very high	124 Å²	124	62 Å²	62	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-73.6	-25.8	176.9	-69.3	174.8	177.3	0	0	112.2	K202 F204 K208	K202-E206 WeakPolarHBondContact CE-OE1 3.45Å; K202-E206 WeakPolarHBondContact CG-OE1 3.45Å; K202-E206 WeakPolarHBondContact O-CG 3.47Å; K202-E206 PolarHBondContact O-N 2.87Å; F204-E206 VanDerWaalsContact C-N 3.34Å; F204-E206 PolarHBondContact O-N 2.73Å; E206-K208 PolarHBondContact O-N 3.44Å
207	N	98.7	Very high	98.5	Very high	14 Å²	14	55.6 Å²	55.6	8%	0.075	26%	0.258	C	S	.	.			trans	-87.3	107.5	177.5	-170.2	-81.6	0	0	0	112.3	E147 L149 N203 F204 T205 K209 L210 N211	E147-N207 PolarHBondContact OE1-ND2 3.11Å; L149-N207 HydrophobicContact CD1-CB 3.75Å; N203-N207 WeakPolarHBondContact O-CB 3.22Å; N203-N207 PolarHBondContact O-N 3.06Å; F204-N207 PolarHBondContact O-N 2.91Å; T205-N207 VanDerWaalsContact C-N 3.34Å; N207-K209 VanDerWaalsContact C-N 3.28Å; N207-K209 PolarHBondContact O-N 3.34Å; N207-K209 WeakPolarHBondContact OD1-CB 3.39Å; N207-K209 PolarHBondContact OD1-N 3.39Å; N207-L210 HydrophobicContact CB-CB 4.27Å; N207-L210 HydrophobicContact CB-CD1 4.07Å; N207-L210 HydrophobicContact CB-CG 4.39Å; N207-L210 PolarHBondContact O-N 2.77Å; N207-L210 PolarHBondContact OD1-N 2.98Å; N207-N211 PolarHBondContact O-N 3.47Å
208	K	98.4	Very high	98.5	Very high	185 Å²	185	49.7 Å²	49.7	80%	0.804	24%	0.236	S	C	*	.	H	α-helix	trans	-58.3	-33.3	-178.1	-65.3	-177.8	-179.3	178	0	114.2	E206 K212	E206-K208 PolarHBondContact O-N 3.44Å; K208-K212 VanDerWaalsContact O-CB 3.25Å; K208-K212 WeakPolarHBondContact O-CB 3.37Å; K208-K212 PolarHBondContact O-N 2.85Å; K208-K212 VanDerWaalsContact O-N 3.11Å
209	K	98.8	Very high	98.5	Very high	120 Å²	120	50.1 Å²	50.1	52%	0.522	24%	0.238	S	C	.	.	H	α-helix	trans	-70.4	-48	-179	-64.3	179.3	-170.3	165.6	0	110.7	V144 S145 N207 K212 F213	V144-K209 WeakPolarHBondContact O-CD 3.11Å; S145-K209 WeakPolarHBondContact O-CD 3.43Å; S145-K209 PolarHBondContact O-NZ 3.06Å; N207-K209 VanDerWaalsContact C-N 3.28Å; N207-K209 PolarHBondContact O-N 3.34Å; N207-K209 WeakPolarHBondContact OD1-CB 3.39Å; N207-K209 PolarHBondContact OD1-N 3.39Å; K209-K212 PolarHBondContact O-N 2.81Å; K209-F213 WeakPolarHBondContact O-CB 3.24Å; K209-F213 PolarHBondContact O-N 3.12Å
210	L	98.8	Very high	98.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-48.8	176.3	-74.7	173.9	0	0	0	111.8	V144 L149 L199 F204 N207 K212 F213 F214	V144-L210 HydrophobicContact CB-CD2 3.99Å; V144-L210 HydrophobicContact CG1-CD2 3.85Å; L149-L210 HydrophobicContact CD1-CD1 3.63Å; L199-L210 HydrophobicContact CD1-CD1 4.22Å; L199-L210 HydrophobicContact CD2-CD1 4.11Å; F204-L210 HydrophobicContact CD2-CB 3.73Å; F204-L210 HydrophobicContact CD2-CD1 4.21Å; F204-L210 HydrophobicContact CD2-CG 4.41Å; F204-L210 HydrophobicContact CE2-CB 3.81Å; F204-L210 HydrophobicContact CG-CB 4.34Å; F204-L210 HydrophobicContact CZ-CB 4.45Å; F204-L210 WeakPolarHBondContact CZ-O 3.3Å; N207-L210 HydrophobicContact CB-CB 4.27Å; N207-L210 HydrophobicContact CB-CD1 4.07Å; N207-L210 HydrophobicContact CB-CG 4.39Å; N207-L210 PolarHBondContact O-N 2.77Å; N207-L210 PolarHBondContact OD1-N 2.98Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 2.87Å; L210-F213 PolarHBondContact O-N 2.93Å; L210-F213 VanDerWaalsContact O-N 3.12Å; L210-F214 HydrophobicContact CD2-CD2 3.82Å; L210-F214 HydrophobicContact CD2-CE2 3.97Å; L210-F214 PolarHBondContact O-N 3.07Å
211	N	97.3	Very high	98.5	Very high	69 Å²	69	52.7 Å²	52.7	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-41.3	-179.3	-169.6	-73.4	0	0	0	112.7	F204 N207 R234	F204-N211 HydrophobicContact CE1-CB 4.36Å; N207-N211 PolarHBondContact O-N 3.47Å; N211-R234 PolarHBondContact O-NE 2.89Å; N211-R234 PolarHBondContact O-NH2 3.01Å
212	K	98.4	Very high	98.4	Very high	174 Å²	174	53 Å²	53	76%	0.757	25%	0.254	S	S	*	.	H	α-helix	trans	-70.2	-36	176.1	-176	176.5	178.9	-178.8	0	112.5	K208 K209 L210 R234	K208-K212 VanDerWaalsContact O-CB 3.25Å; K208-K212 WeakPolarHBondContact O-CB 3.37Å; K208-K212 PolarHBondContact O-N 2.85Å; K208-K212 VanDerWaalsContact O-N 3.11Å; K209-K212 PolarHBondContact O-N 2.81Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 2.87Å; K212-R234 WeakPolarHBondContact O-CD 3.49Å
213	F	98.8	Very high	98.3	Very high	26 Å²	26	49.9 Å²	49.9	11%	0.114	26%	0.259	C	S	.	.	H	α-helix	trans	-82.3	-46.6	-173	-169.2	-83.3	0	0	0	112.7	Y115 I119 V144 K209 L210 G233 R234 Y236 I238	Y115-F213 HydrophobicContact CE2-CZ 4.33Å; I119-F213 HydrophobicContact CD1-CE2 3.86Å; I119-F213 HydrophobicContact CD1-CZ 3.89Å; V144-F213 HydrophobicContact CG1-CB 3.53Å; V144-F213 HydrophobicContact CG1-CD1 4.09Å; V144-F213 HydrophobicContact CG1-CD2 4.12Å; V144-F213 HydrophobicContact CG1-CG 3.65Å; V144-F213 HydrophobicContact CG2-CD1 3.86Å; V144-F213 HydrophobicContact CG2-CD2 4.31Å; V144-F213 HydrophobicContact CG2-CE1 3.95Å; V144-F213 HydrophobicContact CG2-CE2 4.38Å; V144-F213 HydrophobicContact CG2-CG 4.06Å; V144-F213 HydrophobicContact CG2-CZ 4.23Å; K209-F213 WeakPolarHBondContact O-CB 3.24Å; K209-F213 PolarHBondContact O-N 3.12Å; L210-F213 PolarHBondContact O-N 2.93Å; L210-F213 VanDerWaalsContact O-N 3.12Å; F213-G233 CarbonylContact O-C 3.32Å; F213-G233 WeakPolarHBondContact O-CA 3.43Å; F213-R234 PolarHBondContact O-N 3.33Å; F213-Y236 HydrophobicContact CD2-CD2 4.18Å; F213-Y236 HydrophobicContact CD2-CE2 4.43Å; F213-Y236 AromaticContact CE2-CD2 3.35Å; F213-Y236 HydrophobicContact CE2-CD2 3.35Å; F213-Y236 AromaticContact CE2-CE2 3.81Å; F213-Y236 HydrophobicContact CE2-CE2 3.81Å; F213-Y236 HydrophobicContact CE2-CG 4.22Å; F213-Y236 AromaticContact CZ-CD2 3.65Å; F213-Y236 HydrophobicContact CZ-CD2 3.65Å; F213-Y236 HydrophobicContact CZ-CG 4.14Å; F213-I238 HydrophobicContact CE1-CB 4.19Å; F213-I238 HydrophobicContact CE1-CD1 4.34Å; F213-I238 HydrophobicContact CE1-CG2 4.45Å; F213-I238 HydrophobicContact CZ-CB 4.46Å; F213-I238 HydrophobicContact CZ-CD1 3.86Å; F213-I238 HydrophobicContact CZ-CG1 4.32Å
214	F	98.7	Very high	98.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.3	-171.2	-72.7	-65.9	0	0	0	112.5	L140 V144 F204 L210 M231 E232 R234 I238	L140-F214 HydrophobicContact CB-CZ 4.43Å; V144-F214 HydrophobicContact CB-CE2 3.95Å; V144-F214 HydrophobicContact CG1-CD2 4.4Å; V144-F214 HydrophobicContact CG1-CE2 4.09Å; V144-F214 HydrophobicContact CG2-CE2 3.58Å; V144-F214 HydrophobicContact CG2-CZ 3.89Å; F204-F214 HydrophobicContact CE2-CB 3.75Å; F204-F214 HydrophobicContact CE2-CD2 4.4Å; F204-F214 HydrophobicContact CZ-CB 3.83Å; L210-F214 HydrophobicContact CD2-CD2 3.82Å; L210-F214 HydrophobicContact CD2-CE2 3.97Å; L210-F214 PolarHBondContact O-N 3.07Å; F214-M231 HydrophobicContact CB-CB 4.39Å; F214-M231 HydrophobicContact CB-CG 4.5Å; F214-M231 HydrophobicContact CB-SD 4.11Å; F214-M231 HydrophobicContact CD1-CB 4.37Å; F214-M231 HydrophobicContact CD1-CE 4.36Å; F214-M231 HydrophobicContact CD1-CG 3.9Å; F214-M231 HydrophobicContact CD1-SD 4.01Å; F214-M231 HydrophobicContact CD2-CE 3.97Å; F214-M231 HydrophobicContact CD2-SD 3.78Å; F214-M231 HydrophobicContact CE1-CE 4.16Å; F214-M231 HydrophobicContact CE1-CG 4.31Å; F214-M231 HydrophobicContact CE1-SD 4.4Å; F214-M231 HydrophobicContact CE2-CE 3.71Å; F214-M231 HydrophobicContact CE2-SD 4.15Å; F214-M231 HydrophobicContact CG-CE 4.3Å; F214-M231 HydrophobicContact CG-CG 4.14Å; F214-M231 HydrophobicContact CG-SD 3.7Å; F214-M231 HydrophobicContact CZ-CE 3.83Å; F214-M231 HydrophobicContact CZ-SD 4.47Å; F214-E232 CarbonylContact C-O 3.52Å; F214-E232 WeakPolarHBondContact CA-O 3.26Å; F214-R234 VanDerWaalsContact O-CZ 3.28Å; F214-R234 PolarHBondContact O-NE 2.87Å; F214-R234 VanDerWaalsContact O-NE 3.14Å; F214-R234 PolarHBondContact O-NH2 3.14Å; F214-I238 HydrophobicContact CE1-CG2 4.03Å; F214-I238 HydrophobicContact CZ-CG2 4.21Å
215	N	98.4	Very high	98.2	Very high	23 Å²	23	56.9 Å²	56.9	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.7	161.5	-170.2	31.4	0	0	0	108.6	G167 M231 E232 R234	G167-N215 WeakPolarHBondContact CA-ND2 3.35Å; G167-N215 WeakPolarHBondContact CA-OD1 3.49Å; G167-N215 PolarHBondContact O-ND2 3.15Å; N215-M231 VanDerWaalsContact O-CA 3.29Å; N215-M231 WeakPolarHBondContact O-CA 3.43Å; N215-M231 WeakPolarHBondContact O-CB 3.34Å; N215-E232 HydrophobicContact CB-CG 4.35Å; N215-E232 PolarHBondContact N-O 2.85Å; N215-E232 PolarHBondContact O-N 2.79Å; N215-R234 HydrophobicContact CB-CG 4.13Å
216	I	98.6	Very high	98.3	Very high	24 Å²	24	58 Å²	58	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.7	174.2	-59.3	172.4	0	0	0	107.4	T165 G167 F204 T219 I228	T165-I216 HydrophobicContact CG2-CG2 3.87Å; T165-I216 PolarHBondContact OG1-O 2.76Å; G167-I216 WeakPolarHBondContact CA-O 3.31Å; F204-I216 HydrophobicContact CD1-CD1 3.61Å; F204-I216 HydrophobicContact CD1-CG1 4.13Å; F204-I216 HydrophobicContact CE1-CD1 3.61Å; F204-I216 HydrophobicContact CE1-CG1 3.71Å; F204-I216 HydrophobicContact CE2-CG1 4.32Å; F204-I216 HydrophobicContact CG-CD1 4.24Å; F204-I216 HydrophobicContact CZ-CD1 4.23Å; F204-I216 HydrophobicContact CZ-CG1 3.82Å; I216-T219 HydrophobicContact CG2-CG2 3.88Å; I216-I228 HydrophobicContact CD1-CD1 3.7Å; I216-I228 HydrophobicContact CD1-CG1 3.9Å; I216-I228 HydrophobicContact CG1-CD1 3.82Å; I216-I228 HydrophobicContact CG1-CG1 4.08Å; I216-I228 HydrophobicContact CG2-CG1 4.25Å; I216-I228 HydrophobicContact CG2-CG2 4.24Å
217	L	98.7	Very high	98.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-41.1	177.5	-53.7	-179.9	0	0	0	111.4	T165 G167 M173 F174 S230 E232	T165-L217 PolarHBondContact N-O 3.21Å; T165-L217 PolarHBondContact OG1-O 3.01Å; G167-L217 WeakPolarHBondContact O-CD2 3.48Å; M173-L217 HydrophobicContact CB-CD1 3.69Å; M173-L217 HydrophobicContact CE-CD1 4.12Å; M173-L217 HydrophobicContact CG-CD1 4.4Å; M173-L217 HydrophobicContact SD-CD1 3.98Å; F174-L217 HydrophobicContact CD2-CB 4.26Å; F174-L217 HydrophobicContact CD2-CD1 3.98Å; F174-L217 HydrophobicContact CE2-CB 3.84Å; F174-L217 HydrophobicContact CE2-CD1 3.8Å; F174-L217 HydrophobicContact CE2-CG 4.49Å; L217-S230 PolarHBondContact N-O 2.76Å; L217-E232 HydrophobicContact CD1-CB 4.2Å; L217-E232 HydrophobicContact CD1-CG 3.95Å; L217-E232 HydrophobicContact CD2-CG 3.92Å; L217-E232 HydrophobicContact CG-CG 4.14Å
218	T	98.9	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.1	179.3	71.1	0	0	0	0	111.7	L162 N163 F164 F174 S229 S230	L162-T218 HydrophobicContact CB-CG2 3.96Å; L162-T218 HydrophobicContact CD1-CG2 4.15Å; L162-T218 HydrophobicContact CG-CG2 4.48Å; N163-T218 CarbonylContact O-C 3.47Å; N163-T218 WeakPolarHBondContact O-CA 3.4Å; F164-T218 HydrophobicContact CD1-CG2 3.62Å; F164-T218 HydrophobicContact CE1-CG2 3.79Å; F164-T218 HydrophobicContact CG-CG2 4.17Å; F164-T218 HydrophobicContact CZ-CG2 4.47Å; F174-T218 HydrophobicContact CE2-CG2 4.03Å; F174-T218 HydrophobicContact CZ-CG2 4.29Å; T218-S229 PolarHBondContact O-N 3.46Å; T218-S229 PolarHBondContact O-OG 3.07Å; T218-S229 PolarHBondContact OG1-OG 3.03Å; T218-S230 PolarHBondContact N-O 3.38Å; T218-S230 VanDerWaalsContact N-O 3.15Å; T218-S230 PolarHBondContact O-N 3.08Å; T218-S230 WeakPolarHBondContact OG1-CB 3.46Å; T218-S230 PolarHBondContact OG1-N 3.2Å; T218-S230 VanDerWaalsContact OG1-N 3.1Å; T218-S230 PolarHBondContact OG1-OG 3.02Å
219	T	98.9	Very high	98.3	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	167.4	169.4	68.1	0	0	0	0	111.1	N163 T165 V201 I216 E226 F227 S229	N163-T219 WeakPolarHBondContact CB-O 3.45Å; N163-T219 PolarHBondContact N-O 3.38Å; N163-T219 PolarHBondContact ND2-O 2.86Å; N163-T219 PolarHBondContact O-N 2.87Å; T165-T219 HydrophobicContact CG2-CG2 4.11Å; V201-T219 HydrophobicContact CG2-CG2 3.75Å; I216-T219 HydrophobicContact CG2-CG2 3.88Å; T219-E226 WeakPolarHBondContact CB-OE1 3.15Å; T219-E226 PolarHBondContact OG1-OE1 2.98Å; T219-F227 CarbonylContact C-O 3.57Å; T219-F227 WeakPolarHBondContact CA-O 3.39Å; T219-F227 VanDerWaalsContact CB-O 3.28Å; T219-F227 WeakPolarHBondContact CB-O 3.48Å; T219-S229 VanDerWaalsContact C-OG 3.31Å; T219-S229 PolarHBondContact O-OG 3.17Å
220	N	98.8	Very high	98.4	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	171.6	169.8	-82	107.3	0	0	0	110	L160 P161 E226 F227 S229	L160-N220 HydrophobicContact CD1-CB 4.07Å; P161-N220 PolarHBondContact O-ND2 3.13Å; N220-E226 CarbonylContact O-C 3.57Å; N220-E226 WeakPolarHBondContact O-CA 3.48Å; N220-E226 WeakPolarHBondContact O-CG 3.46Å; N220-F227 HydrophobicContact CB-CD1 4.39Å; N220-F227 HydrophobicContact CB-CD2 4.3Å; N220-F227 HydrophobicContact CB-CE1 3.73Å; N220-F227 HydrophobicContact CB-CE2 3.62Å; N220-F227 HydrophobicContact CB-CZ 3.29Å; N220-F227 PolarHBondContact N-O 3.04Å; N220-F227 WeakPolarHBondContact O-CD1 3.25Å; N220-F227 PolarHBondContact O-N 3.29Å; N220-S229 WeakPolarHBondContact OD1-CB 3.35Å; N220-S229 PolarHBondContact OD1-OG 3.44Å
221	T	98.1	Very high	98.4	Very high	57 Å²	57	36.9 Å²	36.9	35%	0.35	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.4	175.3	-178.7	0	0	0	0	110.2	G223 T225	T221-G223 VanDerWaalsContact C-N 3.27Å; T221-G223 PolarHBondContact OG1-N 2.97Å; T221-T225 VanDerWaalsContact CA-O 3.28Å; T221-T225 WeakPolarHBondContact CA-O 3.36Å; T221-T225 PolarHBondContact OG1-O 3.37Å
222	D	97.2	Very high	98.4	Very high	37 Å²	37	33.7 Å²	33.7	20%	0.198	19%	0.185	C	C	.	.	S	Bend	trans	-90.5	9.5	169	70.4	-11.2	0	0	0	112.4	T153 D154 T155 I224 T225	T153-D222 WeakPolarHBondContact CA-OD2 3.28Å; T153-D222 WeakPolarHBondContact CB-OD2 3.33Å; D154-D222 PolarHBondContact N-OD2 3.21Å; T155-D222 HydrophobicContact CG2-CB 3.97Å; D222-I224 PolarHBondContact OD1-N 2.89Å; D222-T225 PolarHBondContact N-O 2.94Å; D222-T225 PolarHBondContact OD1-N 3.48Å
223	G	96.8	Very high	98.4	Very high	67 Å²	67	25.4 Å²	25.4	69%	0.691	15%	0.149	S	C	*	.	S	Bend	trans	94.8	-12.8	-173.9	0	0	0	0	0	114	T221	T221-G223 VanDerWaalsContact C-N 3.27Å; T221-G223 PolarHBondContact OG1-N 2.97Å
224	I	96.9	Very high	98.4	Very high	157 Å²	157	30.2 Å²	30.2	81%	0.805	17%	0.167	S	C	*	.	S	Bend	trans	-124.8	-53.8	179.6	-59.4	175.6	0	0	0	110.4	D222	D222-I224 PolarHBondContact OD1-N 2.89Å
225	T	98.1	Very high	98.4	Very high	30 Å²	30	35.3 Å²	35.3	18%	0.184	19%	0.189	C	C	.	.			trans	-104.6	127.3	-176.4	-57.5	0	0	0	0	109.5	T153 T221 D222	T153-T225 HydrophobicContact CG2-CG2 4.21Å; T221-T225 VanDerWaalsContact CA-O 3.28Å; T221-T225 WeakPolarHBondContact CA-O 3.36Å; T221-T225 PolarHBondContact OG1-O 3.37Å; D222-T225 PolarHBondContact N-O 2.94Å; D222-T225 PolarHBondContact OD1-N 3.48Å
226	E	98.7	Very high	98.4	Very high	98 Å²	98	36 Å²	36	46%	0.458	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.7	163.3	-167.5	-177.8	-169	0	0	109.6	S200 V201 T219 N220	S200-E226 WeakPolarHBondContact CA-O 3.29Å; V201-E226 HydrophobicContact CG2-CB 4.24Å; V201-E226 HydrophobicContact CG2-CG 3.76Å; V201-E226 PolarHBondContact N-O 3.06Å; T219-E226 WeakPolarHBondContact CB-OE1 3.15Å; T219-E226 PolarHBondContact OG1-OE1 2.98Å; N220-E226 CarbonylContact O-C 3.57Å; N220-E226 WeakPolarHBondContact O-CA 3.48Å; N220-E226 WeakPolarHBondContact O-CG 3.46Å
227	F	98.9	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156	-177	65.5	-89.4	0	0	0	112.6	T153 T155 L160 H195 L199 T219 N220 Q242	T153-F227 HydrophobicContact CG2-CD1 4.41Å; T155-F227 HydrophobicContact CG2-CE1 3.66Å; T155-F227 HydrophobicContact CG2-CZ 3.69Å; L160-F227 HydrophobicContact CD1-CZ 4.25Å; H195-F227 AromaticContact CE1-CE2 3.7Å; H195-F227 AromaticContact CE1-CZ 3.94Å; L199-F227 WeakPolarHBondContact O-CA 3.37Å; L199-F227 WeakPolarHBondContact O-CB 3.4Å; T219-F227 CarbonylContact C-O 3.57Å; T219-F227 WeakPolarHBondContact CA-O 3.39Å; T219-F227 VanDerWaalsContact CB-O 3.28Å; T219-F227 WeakPolarHBondContact CB-O 3.48Å; N220-F227 HydrophobicContact CB-CD1 4.39Å; N220-F227 HydrophobicContact CB-CD2 4.3Å; N220-F227 HydrophobicContact CB-CE1 3.73Å; N220-F227 HydrophobicContact CB-CE2 3.62Å; N220-F227 HydrophobicContact CB-CZ 3.29Å; N220-F227 PolarHBondContact N-O 3.04Å; N220-F227 WeakPolarHBondContact O-CD1 3.25Å; N220-F227 PolarHBondContact O-N 3.29Å; F227-Q242 HydrophobicContact CE2-CG 4.48Å
228	I	98.9	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.3	177.6	-62.7	167.5	0	0	0	108.8	F137 L199 V201 F204 I216 M231	F137-I228 HydrophobicContact CE2-CG2 3.87Å; F137-I228 HydrophobicContact CZ-CB 3.98Å; F137-I228 HydrophobicContact CZ-CG2 3.73Å; L199-I228 HydrophobicContact CD2-CD1 4Å; L199-I228 HydrophobicContact CG-CD1 4.2Å; L199-I228 PolarHBondContact O-N 3.4Å; V201-I228 HydrophobicContact CG2-CG1 4.24Å; F204-I228 HydrophobicContact CB-CD1 3.39Å; F204-I228 HydrophobicContact CD1-CD1 4.01Å; F204-I228 HydrophobicContact CD2-CD1 3.2Å; F204-I228 HydrophobicContact CE2-CD1 3.91Å; F204-I228 HydrophobicContact CG-CD1 3.26Å; I216-I228 HydrophobicContact CD1-CD1 3.7Å; I216-I228 HydrophobicContact CD1-CG1 3.9Å; I216-I228 HydrophobicContact CG1-CD1 3.82Å; I216-I228 HydrophobicContact CG1-CG1 4.08Å; I216-I228 HydrophobicContact CG2-CG1 4.25Å; I216-I228 HydrophobicContact CG2-CG2 4.24Å; I228-M231 HydrophobicContact CG2-CB 4.08Å; I228-M231 HydrophobicContact CG2-CG 4.41Å; I228-M231 HydrophobicContact CG2-SD 4.28Å
229	S	98.9	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-25.4	178.4	56.4	0	0	0	0	113.6	T218 T219 N220 V241 Q242 W243	T218-S229 PolarHBondContact O-N 3.46Å; T218-S229 PolarHBondContact O-OG 3.07Å; T218-S229 PolarHBondContact OG1-OG 3.03Å; T219-S229 VanDerWaalsContact C-OG 3.31Å; T219-S229 PolarHBondContact O-OG 3.17Å; N220-S229 WeakPolarHBondContact OD1-CB 3.35Å; N220-S229 PolarHBondContact OD1-OG 3.44Å; S229-V241 CarbonylContact O-C 3.54Å; S229-V241 WeakPolarHBondContact O-CA 3.21Å; S229-Q242 PolarHBondContact O-N 3.38Å; S229-W243 PolarHBondContact O-NE1 2.95Å
230	S	98.9	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.6	171.5	-40.3	0	0	0	0	110.8	L217 T218 A240 W243	L217-S230 PolarHBondContact N-O 2.76Å; T218-S230 PolarHBondContact N-O 3.38Å; T218-S230 VanDerWaalsContact N-O 3.15Å; T218-S230 PolarHBondContact O-N 3.08Å; T218-S230 WeakPolarHBondContact OG1-CB 3.46Å; T218-S230 PolarHBondContact OG1-N 3.2Å; T218-S230 VanDerWaalsContact OG1-N 3.1Å; T218-S230 PolarHBondContact OG1-OG 3.02Å; S230-A240 WeakPolarHBondContact CA-O 3.19Å; S230-W243 PolarHBondContact OG-NE1 3.25Å; S230-W243 VanDerWaalsContact OG-NE1 3.07Å
231	M	98.9	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158	175.8	66.4	-174.3	-179.3	0	0	111.8	F137 F204 F214 N215 I228 A240	F137-M231 HydrophobicContact CD2-CE 3.93Å; F137-M231 HydrophobicContact CD2-CG 4.39Å; F137-M231 HydrophobicContact CE1-CE 4.32Å; F137-M231 HydrophobicContact CE2-CE 3.59Å; F137-M231 HydrophobicContact CE2-CG 3.75Å; F137-M231 HydrophobicContact CE2-SD 3.76Å; F137-M231 HydrophobicContact CG-CE 4.41Å; F137-M231 HydrophobicContact CZ-CE 3.78Å; F137-M231 HydrophobicContact CZ-CG 4.49Å; F137-M231 HydrophobicContact CZ-SD 3.93Å; F204-M231 HydrophobicContact CE2-SD 4.36Å; F214-M231 HydrophobicContact CB-CB 4.39Å; F214-M231 HydrophobicContact CB-CG 4.5Å; F214-M231 HydrophobicContact CB-SD 4.11Å; F214-M231 HydrophobicContact CD1-CB 4.37Å; F214-M231 HydrophobicContact CD1-CE 4.36Å; F214-M231 HydrophobicContact CD1-CG 3.9Å; F214-M231 HydrophobicContact CD1-SD 4.01Å; F214-M231 HydrophobicContact CD2-CE 3.97Å; F214-M231 HydrophobicContact CD2-SD 3.78Å; F214-M231 HydrophobicContact CE1-CE 4.16Å; F214-M231 HydrophobicContact CE1-CG 4.31Å; F214-M231 HydrophobicContact CE1-SD 4.4Å; F214-M231 HydrophobicContact CE2-CE 3.71Å; F214-M231 HydrophobicContact CE2-SD 4.15Å; F214-M231 HydrophobicContact CG-CE 4.3Å; F214-M231 HydrophobicContact CG-CG 4.14Å; F214-M231 HydrophobicContact CG-SD 3.7Å; F214-M231 HydrophobicContact CZ-CE 3.83Å; F214-M231 HydrophobicContact CZ-SD 4.47Å; N215-M231 VanDerWaalsContact O-CA 3.29Å; N215-M231 WeakPolarHBondContact O-CA 3.43Å; N215-M231 WeakPolarHBondContact O-CB 3.34Å; I228-M231 HydrophobicContact CG2-CB 4.08Å; I228-M231 HydrophobicContact CG2-CG 4.41Å; I228-M231 HydrophobicContact CG2-SD 4.28Å; M231-A240 HydrophobicContact CE-CB 3.87Å; M231-A240 HydrophobicContact CG-CB 3.98Å; M231-A240 PolarHBondContact N-O 2.8Å; M231-A240 PolarHBondContact O-N 3.08Å
232	E	98.9	Very high	98.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.4	174.4	66.7	177.7	-142.4	0	0	111.4	G171 R172 M173 F214 N215 L217 I238 Y239	G171-E232 WeakPolarHBondContact CA-OE1 3.19Å; R172-E232 IonicContact CZ-OE1 3.54Å; R172-E232 VanDerWaalsContact N-CD 3.3Å; R172-E232 PolarHBondContact N-OE1 2.82Å; R172-E232 PolarHBondContact N-OE2 2.87Å; R172-E232 IonicContact NH1-OE1 3.12Å; R172-E232 PolarHBondContact NH1-OE1 2.73Å; R172-E232 VanDerWaalsContact NH1-OE1 3.12Å; M173-E232 WeakPolarHBondContact CB-OE2 3.46Å; M173-E232 PolarHBondContact N-OE2 2.86Å; F214-E232 CarbonylContact C-O 3.52Å; F214-E232 WeakPolarHBondContact CA-O 3.26Å; N215-E232 HydrophobicContact CB-CG 4.35Å; N215-E232 PolarHBondContact N-O 2.85Å; N215-E232 PolarHBondContact O-N 2.79Å; L217-E232 HydrophobicContact CD1-CB 4.2Å; L217-E232 HydrophobicContact CD1-CG 3.95Å; L217-E232 HydrophobicContact CD2-CG 3.92Å; L217-E232 HydrophobicContact CG-CG 4.14Å; E232-I238 CarbonylContact C-O 3.05Å; E232-I238 WeakPolarHBondContact CA-O 3.45Å; E232-Y239 HydrophobicContact CB-CD1 3.58Å; E232-Y239 HydrophobicContact CB-CE1 3.86Å
233	G	98.6	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.6	175.6	0	0	0	0	0	110.2	R172 F213 K235 Y236 I238	R172-G233 VanDerWaalsContact CZ-O 3.31Å; R172-G233 PolarHBondContact NH1-O 3.48Å; R172-G233 PolarHBondContact NH2-O 3.37Å; F213-G233 CarbonylContact O-C 3.32Å; F213-G233 WeakPolarHBondContact O-CA 3.43Å; G233-K235 VanDerWaalsContact C-N 3.35Å; G233-Y236 WeakPolarHBondContact CA-O 3.22Å; G233-I238 PolarHBondContact N-O 2.8Å
234	R	98.3	Very high	98.7	Very high	127 Å²	127	27.4 Å²	27.4	48%	0.479	13%	0.125	S	C	.	.	S	Bend	trans	-66.1	-42.1	175.8	-64.3	-176.4	-172.8	-79.1	-0.8	111.2	N211 K212 F213 F214 N215	N211-R234 PolarHBondContact O-NE 2.89Å; N211-R234 PolarHBondContact O-NH2 3.01Å; K212-R234 WeakPolarHBondContact O-CD 3.49Å; F213-R234 PolarHBondContact O-N 3.33Å; F214-R234 VanDerWaalsContact O-CZ 3.28Å; F214-R234 PolarHBondContact O-NE 2.87Å; F214-R234 VanDerWaalsContact O-NE 3.14Å; F214-R234 PolarHBondContact O-NH2 3.14Å; N215-R234 HydrophobicContact CB-CG 4.13Å
235	K	98.2	Very high	98.8	Very high	107 Å²	107	20.1 Å²	20.1	47%	0.465	9%	0.088	S	C	.	.	S	Bend	trans	-103.5	-54.4	179.8	176.3	-177.4	169.6	-165.8	0	111.9	Y122 D123 G233	Y122-K235 HydrophobicContact CD1-CG 4.38Å; Y122-K235 HydrophobicContact CE1-CD 4.26Å; Y122-K235 HydrophobicContact CE1-CG 3.65Å; Y122-K235 PolarHBondContact OH-O 3.43Å; Y122-K235 VanDerWaalsContact OH-O 3.14Å; D123-K235 WeakPolarHBondContact OD1-CE 3.49Å; D123-K235 IonicContact OD1-NZ 2.84Å; D123-K235 PolarHBondContact OD1-NZ 2.91Å; G233-K235 VanDerWaalsContact C-N 3.35Å
236	Y	98.8	Very high	98.8	Very high	36 Å²	36	18.7 Å²	18.7	14%	0.141	8%	0.079	C	C	.	.	S	Bend	trans	-82.9	148.7	-171.4	-57.4	-83.2	0	0	0	111.9	I119 Y122 D123 R172 F213 G233 I238	I119-Y236 HydrophobicContact CB-CE1 4.41Å; I119-Y236 HydrophobicContact CD1-CD1 3.49Å; I119-Y236 VanDerWaalsContact CD1-CD1 3.49Å; I119-Y236 HydrophobicContact CD1-CD2 3.77Å; I119-Y236 HydrophobicContact CD1-CE1 3.79Å; I119-Y236 HydrophobicContact CD1-CE2 4.07Å; I119-Y236 HydrophobicContact CD1-CG 3.48Å; I119-Y236 VanDerWaalsContact CD1-CG 3.48Å; I119-Y236 HydrophobicContact CG2-CE1 3.87Å; Y122-Y236 AromaticContact CD1-CD1 3.51Å; Y122-Y236 HydrophobicContact CD1-CD1 3.51Å; Y122-Y236 AromaticContact CD1-CE1 3.69Å; Y122-Y236 HydrophobicContact CD1-CE1 3.69Å; Y122-Y236 HydrophobicContact CD1-CG 4.48Å; Y122-Y236 HydrophobicContact CE1-CD1 4.31Å; Y122-Y236 AromaticContact CG-CD1 3.74Å; Y122-Y236 HydrophobicContact CG-CD1 3.74Å; Y122-Y236 HydrophobicContact CG-CE1 4.21Å; D123-Y236 WeakPolarHBondContact OD1-CE1 3.34Å; D123-Y236 PolarHBondContact OD1-OH 3.09Å; D123-Y236 VanDerWaalsContact OD1-OH 3.07Å; D123-Y236 PolarHBondContact OD2-OH 3.11Å; D123-Y236 VanDerWaalsContact OD2-OH 3.04Å; R172-Y236 PolarHBondContact NH2-O 3.01Å; F213-Y236 HydrophobicContact CD2-CD2 4.18Å; F213-Y236 HydrophobicContact CD2-CE2 4.43Å; F213-Y236 AromaticContact CE2-CD2 3.35Å; F213-Y236 HydrophobicContact CE2-CD2 3.35Å; F213-Y236 AromaticContact CE2-CE2 3.81Å; F213-Y236 HydrophobicContact CE2-CE2 3.81Å; F213-Y236 HydrophobicContact CE2-CG 4.22Å; F213-Y236 AromaticContact CZ-CD2 3.65Å; F213-Y236 HydrophobicContact CZ-CD2 3.65Å; F213-Y236 HydrophobicContact CZ-CG 4.14Å; G233-Y236 WeakPolarHBondContact CA-O 3.22Å; Y236-I238 PolarHBondContact O-N 2.59Å
237	P	98.7	Very high	98.8	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.019	6%	0.059	C	C	.	.			trans	-76.8	57.1	177.2	34	-37.4	0	0	0	111.8	Y122 H127 P129 V130 Y239	Y122-P237 HydrophobicContact CD2-CG 4.04Å; Y122-P237 HydrophobicContact CE2-CG 4.36Å; H127-P237 WeakPolarHBondContact NE2-CB 3.36Å; P129-P237 CarbonylContact C-O 3.35Å; P129-P237 VanDerWaalsContact CA-O 3.24Å; P129-P237 WeakPolarHBondContact CA-O 3.16Å; P129-P237 HydrophobicContact CB-CB 4.12Å; V130-P237 PolarHBondContact N-O 3.28Å; P237-Y239 VanDerWaalsContact C-CE2 3.4Å; P237-Y239 HydrophobicContact CB-CE2 3.94Å; P237-Y239 WeakPolarHBondContact O-CE2 3.25Å
238	I	98.9	Very high	98.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.1	179.6	-56.2	-158.3	0	0	0	108.7	Y115 I119 V130 L140 F213 F214 E232 G233 Y236	Y115-I238 HydrophobicContact CD2-CD1 3.58Å; Y115-I238 HydrophobicContact CE2-CD1 3.52Å; I119-I238 HydrophobicContact CD1-CD1 3.85Å; V130-I238 HydrophobicContact CB-CD1 4.46Å; V130-I238 HydrophobicContact CB-CG1 4.19Å; V130-I238 HydrophobicContact CB-CG2 4.38Å; V130-I238 HydrophobicContact CG2-CD1 4.46Å; V130-I238 HydrophobicContact CG2-CG1 4.45Å; V130-I238 CarbonylContact O-C 3.54Å; V130-I238 WeakPolarHBondContact O-CA 3.25Å; L140-I238 HydrophobicContact CD1-CG2 3.81Å; L140-I238 HydrophobicContact CD2-CG2 3.76Å; L140-I238 HydrophobicContact CG-CG2 4.35Å; F213-I238 HydrophobicContact CE1-CB 4.19Å; F213-I238 HydrophobicContact CE1-CD1 4.34Å; F213-I238 HydrophobicContact CE1-CG2 4.45Å; F213-I238 HydrophobicContact CZ-CB 4.46Å; F213-I238 HydrophobicContact CZ-CD1 3.86Å; F213-I238 HydrophobicContact CZ-CG1 4.32Å; F214-I238 HydrophobicContact CE1-CG2 4.03Å; F214-I238 HydrophobicContact CZ-CG2 4.21Å; E232-I238 CarbonylContact C-O 3.05Å; E232-I238 WeakPolarHBondContact CA-O 3.45Å; G233-I238 PolarHBondContact N-O 2.8Å; Y236-I238 PolarHBondContact O-N 2.59Å
239	Y	98.9	Very high	98.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.9	-170.5	-56.7	-71.4	0	0	0	109.4	P129 V130 W131 G132 R172 M173 E232 P237 F274 E278	P129-Y239 HydrophobicContact CB-CE2 4.4Å; V130-Y239 PolarHBondContact O-N 3.23Å; W131-Y239 CarbonylContact C-O 3.6Å; W131-Y239 WeakPolarHBondContact CA-O 3.21Å; W131-Y239 HydrophobicContact CE3-CD2 4.46Å; W131-Y239 HydrophobicContact CE3-CG 4.21Å; W131-Y239 HydrophobicContact CZ3-CG 4.36Å; G132-Y239 PolarHBondContact N-O 2.6Å; R172-Y239 PolarHBondContact NE-OH 3.2Å; R172-Y239 PolarHBondContact NH2-OH 3.4Å; M173-Y239 HydrophobicContact CE-CD1 3.89Å; M173-Y239 HydrophobicContact CE-CG 4.24Å; E232-Y239 HydrophobicContact CB-CD1 3.58Å; E232-Y239 HydrophobicContact CB-CE1 3.86Å; P237-Y239 VanDerWaalsContact C-CE2 3.4Å; P237-Y239 HydrophobicContact CB-CE2 3.94Å; P237-Y239 WeakPolarHBondContact O-CE2 3.25Å; Y239-F274 AromaticContact CD1-CE1 3.66Å; Y239-F274 HydrophobicContact CD1-CE1 3.66Å; Y239-F274 AromaticContact CD1-CZ 3.91Å; Y239-F274 HydrophobicContact CD1-CZ 3.91Å; Y239-F274 HydrophobicContact CD2-CE1 4.11Å; Y239-F274 AromaticContact CE1-CE1 3.67Å; Y239-F274 HydrophobicContact CE1-CE1 3.67Å; Y239-F274 AromaticContact CE1-CZ 3.41Å; Y239-F274 HydrophobicContact CE1-CZ 3.41Å; Y239-F274 VanDerWaalsContact CE1-CZ 3.41Å; Y239-F274 HydrophobicContact CE2-CE1 4.08Å; Y239-F274 HydrophobicContact CE2-CZ 4.13Å; Y239-F274 AromaticContact CG-CE1 3.9Å; Y239-F274 HydrophobicContact CG-CE1 3.9Å; Y239-F274 HydrophobicContact CG-CZ 4.48Å; Y239-F274 AromaticContact CZ-CE1 3.87Å; Y239-F274 AromaticContact CZ-CZ 3.52Å; Y239-E278 HydrophobicContact CE2-CB 4.44Å; Y239-E278 HydrophobicContact CE2-CG 3.77Å; Y239-E278 PolarHBondContact OH-OE2 3.43Å
240	A	98.9	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.3	-179.1	0	0	0	0	0	112.1	G132 F137 L140 S230 M231	G132-A240 CarbonylContact O-C 3.56Å; G132-A240 VanDerWaalsContact O-CA 3.26Å; G132-A240 WeakPolarHBondContact O-CA 3.45Å; F137-A240 HydrophobicContact CB-CB 4.02Å; F137-A240 HydrophobicContact CD2-CB 3.38Å; F137-A240 HydrophobicContact CE2-CB 4.16Å; F137-A240 HydrophobicContact CG-CB 4.02Å; L140-A240 HydrophobicContact CD1-CB 3.92Å; S230-A240 WeakPolarHBondContact CA-O 3.19Å; M231-A240 HydrophobicContact CE-CB 3.87Å; M231-A240 HydrophobicContact CG-CB 3.98Å; M231-A240 PolarHBondContact N-O 2.8Å; M231-A240 PolarHBondContact O-N 3.08Å
241	V	98.9	Very high	98.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.1	171.7	-66.3	0	0	0	0	109.6	W131 G132 T133 C134 F137 M173 S229 W243 P245 L271	W131-V241 HydrophobicContact CH2-CG1 4.35Å; W131-V241 HydrophobicContact CZ2-CG1 3.94Å; W131-V241 HydrophobicContact CZ2-CG2 3.79Å; G132-V241 PolarHBondContact O-N 3.23Å; T133-V241 CarbonylContact C-O 3.52Å; T133-V241 WeakPolarHBondContact CA-O 3.38Å; T133-V241 HydrophobicContact CG2-CG2 4.41Å; C134-V241 PolarHBondContact N-O 3.47Å; F137-V241 WeakPolarHBondContact CB-O 3.38Å; M173-V241 HydrophobicContact SD-CG1 4.23Å; S229-V241 CarbonylContact O-C 3.54Å; S229-V241 WeakPolarHBondContact O-CA 3.21Å; V241-W243 VanDerWaalsContact C-N 3.3Å; V241-W243 HydrophobicContact CB-CD2 4.42Å; V241-W243 HydrophobicContact CB-CG 4.48Å; V241-W243 HydrophobicContact CG1-CZ2 4.14Å; V241-W243 WeakPolarHBondContact CG2-O 3.28Å; V241-P245 HydrophobicContact CG2-CG 4.26Å; V241-L271 HydrophobicContact CG1-CD1 4.45Å
242	Q	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-75.9	-24.1	177.7	-176	63.2	75.8	0	0	111.7	C134 F137 E138 H195 F227 S229	C134-Q242 WeakPolarHBondContact CA-O 3.38Å; C134-Q242 WeakPolarHBondContact CB-O 3.33Å; F137-Q242 HydrophobicContact CD1-CB 4.35Å; F137-Q242 HydrophobicContact CD2-CB 4.34Å; F137-Q242 HydrophobicContact CG-CB 4.29Å; E138-Q242 PolarHBondContact OE1-NE2 3.12Å; H195-Q242 PolarHBondContact CD2-O 3.22Å; H195-Q242 WeakPolarHBondContact NE2-CG 3.3Å; F227-Q242 HydrophobicContact CE2-CG 4.48Å; S229-Q242 PolarHBondContact O-N 3.38Å
243	W	98.9	Very high	98.4	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.015	12%	0.12	C	C	.	.	S	Bend	trans	-95.2	171.2	179.2	54.8	-83.2	0	0	0	111.6	T133 L162 T191 A192 S229 S230 V241 P245 T267 L271	T133-W243 WeakPolarHBondContact CG2-O 3.5Å; L162-W243 HydrophobicContact CD1-CZ2 3.87Å; T191-W243 HydrophobicContact CG2-CD2 3.73Å; T191-W243 HydrophobicContact CG2-CE3 3.65Å; T191-W243 HydrophobicContact CG2-CG 4.33Å; T191-W243 HydrophobicContact CG2-CH2 4Å; T191-W243 HydrophobicContact CG2-CZ2 4.12Å; T191-W243 HydrophobicContact CG2-CZ3 3.77Å; A192-W243 CarbonylContact O-C 3.59Å; A192-W243 WeakPolarHBondContact O-CA 3.34Å; A192-W243 WeakPolarHBondContact O-CB 3.26Å; S229-W243 PolarHBondContact O-NE1 2.95Å; S230-W243 PolarHBondContact OG-NE1 3.25Å; S230-W243 VanDerWaalsContact OG-NE1 3.07Å; V241-W243 VanDerWaalsContact C-N 3.3Å; V241-W243 HydrophobicContact CB-CD2 4.42Å; V241-W243 HydrophobicContact CB-CG 4.48Å; V241-W243 HydrophobicContact CG1-CZ2 4.14Å; V241-W243 WeakPolarHBondContact CG2-O 3.28Å; W243-P245 HydrophobicContact CE3-CB 4.2Å; W243-P245 HydrophobicContact CH2-CB 4.19Å; W243-P245 HydrophobicContact CZ3-CB 3.59Å; W243-P245 HydrophobicContact CZ3-CG 4.29Å; W243-P245 WeakPolarHBondContact O-CD 3.49Å; W243-T267 HydrophobicContact CH2-CG2 3.63Å; W243-T267 HydrophobicContact CZ3-CG2 4.1Å; W243-L271 HydrophobicContact CH2-CD1 3.31Å; W243-L271 HydrophobicContact CH2-CG 4.49Å; W243-L271 HydrophobicContact CZ2-CD1 3.68Å; W243-L271 HydrophobicContact CZ3-CD1 4.18Å
244	H	98.9	Very high	98	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.046	16%	0.162	C	C	.	.			trans	-109.5	89.7	-169.9	-73.3	-92.2	0	0	0	112.9	Y60 C134 A192 E246 K247	Y60-H244 PolarHBondContact OH-CE1 3.39Å; Y60-H244 PolarHBondContact OH-ND1 3.45Å; C134-H244 VanDerWaalsContact CB-CE1 3.49Å; C134-H244 WeakPolarHBondContact CB-CE1 3.4Å; C134-H244 WeakPolarHBondContact CB-NE2 3.49Å; C134-H244 PolarHBondContact SG-NE2 2.68Å; A192-H244 HydrophobicContact CB-CB 4.12Å; A192-H244 PolarHBondContact O-N 3Å; H244-E246 WeakPolarHBondContact CA-OE2 3.47Å; H244-E246 WeakPolarHBondContact CB-OE2 3.29Å; H244-E246 IonicContact CE1-OE1 3.83Å; H244-E246 IonicContact CG-OE1 3.51Å; H244-E246 IonicContact CG-OE2 3.86Å; H244-E246 IonicContact ND1-OE1 2.76Å; H244-E246 PolarHBondContact ND1-OE1 3.35Å; H244-E246 IonicContact ND1-OE2 3.58Å; H244-E246 PolarHBondContact O-N 3.31Å; H244-K247 HydrophobicContact CB-CB 4.3Å; H244-K247 HydrophobicContact CB-CD 3.62Å; H244-K247 HydrophobicContact CB-CG 3.76Å; H244-K247 PolarHBondContact O-N 3.35Å
245	P	98.8	Very high	97.6	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.019	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.2	176.5	24.9	-33.1	0	0	0	112.5	Y63 V241 W243 K247 A268 L271	Y63-P245 HydrophobicContact CE2-CB 3.93Å; Y63-P245 HydrophobicContact CE2-CG 4.08Å; V241-P245 HydrophobicContact CG2-CG 4.26Å; W243-P245 HydrophobicContact CE3-CB 4.2Å; W243-P245 HydrophobicContact CH2-CB 4.19Å; W243-P245 HydrophobicContact CZ3-CB 3.59Å; W243-P245 HydrophobicContact CZ3-CG 4.29Å; W243-P245 WeakPolarHBondContact O-CD 3.49Å; P245-K247 PolarHBondContact O-N 3.37Å; P245-A268 HydrophobicContact CB-CB 4.47Å; P245-A268 WeakPolarHBondContact O-CB 3.48Å; P245-L271 HydrophobicContact CB-CD1 4.04Å; P245-L271 HydrophobicContact CG-CD1 4.26Å
246	E	98.9	Very high	97.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.1	-175.5	83	-67.8	172.4	0	0	113.4	Y60 Y63 H244 Y250	Y60-E246 HydrophobicContact CD1-CB 4.36Å; Y60-E246 HydrophobicContact CD1-CG 3.95Å; Y60-E246 HydrophobicContact CD2-CG 4.43Å; Y60-E246 HydrophobicContact CE1-CG 3.83Å; Y60-E246 HydrophobicContact CE2-CG 4.3Å; Y60-E246 HydrophobicContact CG-CG 4.24Å; Y60-E246 VanDerWaalsContact CZ-OE1 3.26Å; Y60-E246 PolarHBondContact OH-OE1 3.16Å; Y63-E246 HydrophobicContact CD2-CB 4.18Å; Y63-E246 HydrophobicContact CG-CB 4.05Å; H244-E246 WeakPolarHBondContact CA-OE2 3.47Å; H244-E246 WeakPolarHBondContact CB-OE2 3.29Å; H244-E246 IonicContact CE1-OE1 3.83Å; H244-E246 IonicContact CG-OE1 3.51Å; H244-E246 IonicContact CG-OE2 3.86Å; H244-E246 IonicContact ND1-OE1 2.76Å; H244-E246 PolarHBondContact ND1-OE1 3.35Å; H244-E246 IonicContact ND1-OE2 3.58Å; H244-E246 PolarHBondContact O-N 3.31Å; E246-Y250 WeakPolarHBondContact O-CD2 3.2Å
247	K	98.8	Very high	97	Very high	7 Å²	7	32 Å²	32	3%	0.03	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-39.5	-175.1	-73.2	-175.1	-179.8	-60.3	0	112.9	A192 F194 H244 P245 Y250 E251 I258	A192-K247 HydrophobicContact CB-CB 4.27Å; A192-K247 HydrophobicContact CB-CD 4.28Å; F194-K247 HydrophobicContact CD2-CD 3.85Å; F194-K247 HydrophobicContact CE2-CD 3.93Å; H244-K247 HydrophobicContact CB-CB 4.3Å; H244-K247 HydrophobicContact CB-CD 3.62Å; H244-K247 HydrophobicContact CB-CG 3.76Å; H244-K247 PolarHBondContact O-N 3.35Å; P245-K247 PolarHBondContact O-N 3.37Å; K247-Y250 PolarHBondContact O-N 3.47Å; K247-Y250 VanDerWaalsContact O-N 3.13Å; K247-E251 HydrophobicContact CB-CB 4.25Å; K247-E251 HydrophobicContact CB-CG 4.35Å; K247-E251 HydrophobicContact CG-CB 4.24Å; K247-E251 HydrophobicContact CG-CG 3.97Å; K247-E251 PolarHBondContact O-N 3.15Å; K247-I258 HydrophobicContact CB-CD1 4.47Å; K247-I258 HydrophobicContact CB-CG1 4.44Å; K247-I258 HydrophobicContact CB-CG2 4.19Å; K247-I258 HydrophobicContact CD-CD1 4.33Å; K247-I258 HydrophobicContact CD-CG1 4.34Å
248	A	98.7	Very high	97	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-53.5	-45.8	-172.8	0	0	0	0	0	113.9	S259 H260	A248-S259 WeakPolarHBondContact CA-O 3.43Å; A248-S259 VanDerWaalsContact CB-O 3.28Å; A248-S259 WeakPolarHBondContact CB-O 3.39Å; A248-H260 PolarHBondContact O-ND1 3.21Å
249	P	98.6	Very high	97	Very high	23 Å²	23	33.4 Å²	33.4	15%	0.149	17%	0.173	C	C	.	.	H	α-helix	trans	-87.9	-14.1	176.8	30.4	-35.8	0	0	0	115.8	V265 A268	P249-V265 HydrophobicContact CB-CG1 4.2Å; P249-V265 HydrophobicContact CB-CG2 4.39Å; P249-A268 HydrophobicContact CG-CB 4Å
250	Y	98.7	Very high	96.9	Very high	50 Å²	50	36.9 Å²	36.9	20%	0.196	19%	0.189	C	C	.	.	H	α-helix	trans	-129.4	-17	-162.2	-53.8	-48.1	0	0	0	117	S59 K62 Y63 A66 E246 K247	S59-Y250 WeakPolarHBondContact O-CD2 3.32Å; K62-Y250 HydrophobicContact CB-CD1 3.89Å; K62-Y250 HydrophobicContact CB-CD2 3.76Å; K62-Y250 HydrophobicContact CB-CE1 3.78Å; K62-Y250 HydrophobicContact CB-CE2 3.69Å; K62-Y250 HydrophobicContact CB-CG 3.91Å; K62-Y250 HydrophobicContact CD-CD1 3.8Å; K62-Y250 HydrophobicContact CD-CE1 4.39Å; K62-Y250 HydrophobicContact CD-CG 3.95Å; K62-Y250 HydrophobicContact CG-CD1 4.45Å; K62-Y250 PolarHBondContact O-OH 3.05Å; Y63-Y250 VanDerWaalsContact N-CE2 3.33Å; A66-Y250 WeakPolarHBondContact CB-OH 3.44Å; E246-Y250 WeakPolarHBondContact O-CD2 3.2Å; K247-Y250 PolarHBondContact O-N 3.47Å; K247-Y250 VanDerWaalsContact O-N 3.13Å
251	E	98.6	Very high	96.9	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	20%	0.201	C	C	.	.			trans	-116.9	116.7	-175.4	-61.6	-62.4	178.1	0	0	111.4	S59 K247 I258 H260 F311 E312	S59-E251 WeakPolarHBondContact CB-OE1 3.32Å; S59-E251 PolarHBondContact OG-OE1 2.87Å; K247-E251 HydrophobicContact CB-CB 4.25Å; K247-E251 HydrophobicContact CB-CG 4.35Å; K247-E251 HydrophobicContact CG-CB 4.24Å; K247-E251 HydrophobicContact CG-CG 3.97Å; K247-E251 PolarHBondContact O-N 3.15Å; E251-I258 HydrophobicContact CB-CD1 4.01Å; E251-H260 PolarHBondContact O-CE1 2.96Å; E251-H260 PolarHBondContact O-NE2 3.35Å; E251-F311 WeakPolarHBondContact OE1-CD1 3.09Å; E251-F311 VanDerWaalsContact OE2-CA 3.22Å; E251-F311 WeakPolarHBondContact OE2-CA 3.29Å; E251-E312 PolarHBondContact OE2-N 2.81Å
252	W	98.1	Very high	96.9	Very high	156 Å²	156	43 Å²	43	59%	0.591	23%	0.231	S	C	*	.			trans	-112.7	5.7	-167	-55	94.2	0	0	0	113.9	G254 H260 E312	W252-G254 PolarHBondContact O-N 3.28Å; W252-H260 AromaticContact CD2-CE1 3.92Å; W252-H260 AromaticContact CE3-CE1 3.44Å; W252-H260 VanDerWaalsContact CE3-CE1 3.44Å; W252-H260 AromaticContact CE3-ND1 3.82Å; W252-H260 AromaticContact CE3-NE2 3.58Å; W252-H260 HydrophobicContact CZ3-CB 4.4Å; W252-H260 AromaticContact CZ3-CE1 3.69Å; W252-H260 AromaticContact CZ3-CG 3.79Å; W252-H260 AromaticContact CZ3-ND1 3.56Å; W252-E312 VanDerWaalsContact C-OE1 3.31Å; W252-E312 WeakPolarHBondContact CA-OE1 3.28Å; W252-E312 HydrophobicContact CB-CG 4.49Å; W252-E312 WeakPolarHBondContact CB-OE1 3.37Å; W252-E312 PolarHBondContact N-OE1 3.38Å; W252-E312 VanDerWaalsContact N-OE1 3.15Å
253	K	92.8	Very high	96.9	Very high	70 Å²	70	44.5 Å²	44.5	30%	0.304	24%	0.24	S	C	.	.	S	Bend	trans	-51.4	132.1	172.4	-165.8	79.8	-179.1	-157.6	0	108.3	L255 G306 S309 E312	K253-L255 HydrophobicContact CB-CD1 4.04Å; K253-L255 HydrophobicContact CB-CG 4.04Å; K253-L255 HydrophobicContact CG-CD1 3.98Å; K253-L255 HydrophobicContact CG-CD2 4.33Å; K253-L255 HydrophobicContact CG-CG 3.79Å; K253-L255 PolarHBondContact O-N 3.16Å; K253-G306 PolarHBondContact NZ-O 3.18Å; K253-S309 PolarHBondContact NZ-O 3.2Å; K253-S309 VanDerWaalsContact NZ-O 3.17Å; K253-E312 PolarHBondContact N-OE1 3.39Å
254	G	89	Confident	96.9	Very high	86 Å²	86	44.4 Å²	44.4	89%	0.887	24%	0.24	S	C	*	.	S	Bend	trans	-65.8	56.1	-178.4	0	0	0	0	0	114.8	W252	W252-G254 PolarHBondContact O-N 3.28Å
255	L	90.5	Very high	96.9	Very high	51 Å²	51	46.8 Å²	46.8	27%	0.267	26%	0.255	S	S	.	.			trans	-101.4	128	179.9	-60.8	173.5	0	0	0	108.2	F194 K253 G257 I258 T310	F194-L255 HydrophobicContact CE1-CB 4.06Å; F194-L255 HydrophobicContact CE1-CD1 3.75Å; F194-L255 HydrophobicContact CE1-CG 4.42Å; F194-L255 HydrophobicContact CZ-CB 3.92Å; F194-L255 HydrophobicContact CZ-CD1 4.08Å; K253-L255 HydrophobicContact CB-CD1 4.04Å; K253-L255 HydrophobicContact CB-CG 4.04Å; K253-L255 HydrophobicContact CG-CD1 3.98Å; K253-L255 HydrophobicContact CG-CD2 4.33Å; K253-L255 HydrophobicContact CG-CG 3.79Å; K253-L255 PolarHBondContact O-N 3.16Å; L255-G257 PolarHBondContact O-N 2.96Å; L255-I258 HydrophobicContact CB-CD1 4.4Å; L255-I258 HydrophobicContact CB-CG1 4.41Å; L255-I258 HydrophobicContact CD1-CD1 4.38Å; L255-I258 PolarHBondContact O-N 2.88Å; L255-T310 HydrophobicContact CD1-CG2 4.19Å
256	K	90.4	Very high	96.9	Very high	199 Å²	199	51.1 Å²	51.1	87%	0.865	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.6	-177.5	-65.2	-175.2	179.9	-178.7	0	114.1	I258	K256-I258 VanDerWaalsContact C-N 3.35Å
257	G	95.1	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.2	-177.9	0	0	0	0	0	115.3	S157 A192 L255	S157-G257 VanDerWaalsContact C-CA 3.41Å; S157-G257 WeakPolarHBondContact O-CA 3.3Å; S157-G257 PolarHBondContact O-N 3.09Å; S157-G257 PolarHBondContact OG-N 3.32Å; A192-G257 VanDerWaalsContact CA-O 3.27Å; A192-G257 WeakPolarHBondContact CA-O 2.95Å; A192-G257 WeakPolarHBondContact CB-O 3.42Å; L255-G257 PolarHBondContact O-N 2.96Å
258	I	97.9	Very high	96.9	Very high	16 Å²	16	51 Å²	51	8%	0.082	27%	0.274	C	S	.	.			trans	-97	116.9	179.9	-53.1	179	0	0	0	109	F194 K247 E251 L255 K256	F194-I258 HydrophobicContact CE2-CG1 3.68Å; F194-I258 HydrophobicContact CZ-CD1 4.38Å; F194-I258 HydrophobicContact CZ-CG1 3.67Å; K247-I258 HydrophobicContact CB-CD1 4.47Å; K247-I258 HydrophobicContact CB-CG1 4.44Å; K247-I258 HydrophobicContact CB-CG2 4.19Å; K247-I258 HydrophobicContact CD-CD1 4.33Å; K247-I258 HydrophobicContact CD-CG1 4.34Å; E251-I258 HydrophobicContact CB-CD1 4.01Å; L255-I258 HydrophobicContact CB-CD1 4.4Å; L255-I258 HydrophobicContact CB-CG1 4.41Å; L255-I258 HydrophobicContact CD1-CD1 4.38Å; L255-I258 PolarHBondContact O-N 2.88Å; K256-I258 VanDerWaalsContact C-N 3.35Å
259	S	97.9	Very high	96.9	Very high	20 Å²	20	55.3 Å²	55.3	14%	0.14	29%	0.292	C	S	.	.			trans	-92.7	124.1	171.2	-175.3	0	0	0	0	109.9	P189 A248 A261 S264	P189-S259 WeakPolarHBondContact O-CB 3.47Å; P189-S259 PolarHBondContact O-OG 3.31Å; A248-S259 WeakPolarHBondContact CA-O 3.43Å; A248-S259 VanDerWaalsContact CB-O 3.28Å; A248-S259 WeakPolarHBondContact CB-O 3.39Å; S259-A261 PolarHBondContact OG-N 2.75Å; S259-S264 WeakPolarHBondContact CB-OG 3.36Å; S259-S264 WeakPolarHBondContact O-CB 3.38Å; S259-S264 PolarHBondContact OG-OG 3.11Å; S259-S264 VanDerWaalsContact OG-OG 3.06Å
260	H	98.3	Very high	96.9	Very high	72 Å²	72	57.3 Å²	57.3	33%	0.333	30%	0.297	S	S	.	.			trans	-101	17.6	173.4	-64.9	-63.6	0	0	0	112.1	A248 E251 W252	A248-H260 PolarHBondContact O-ND1 3.21Å; E251-H260 PolarHBondContact O-CE1 2.96Å; E251-H260 PolarHBondContact O-NE2 3.35Å; W252-H260 AromaticContact CD2-CE1 3.92Å; W252-H260 AromaticContact CE3-CE1 3.44Å; W252-H260 VanDerWaalsContact CE3-CE1 3.44Å; W252-H260 AromaticContact CE3-ND1 3.82Å; W252-H260 AromaticContact CE3-NE2 3.58Å; W252-H260 HydrophobicContact CZ3-CB 4.4Å; W252-H260 AromaticContact CZ3-CE1 3.69Å; W252-H260 AromaticContact CZ3-CG 3.79Å; W252-H260 AromaticContact CZ3-ND1 3.56Å
261	A	98.3	Very high	96.9	Very high	29 Å²	29	55 Å²	55	24%	0.24	29%	0.287	C	S	.	.			trans	-59.8	148.5	177	0	0	0	0	0	110.7	L190 S259 N263 S264 V265	L190-A261 HydrophobicContact CD2-CB 3.96Å; S259-A261 PolarHBondContact OG-N 2.75Å; A261-N263 PolarHBondContact O-N 3.2Å; A261-N263 VanDerWaalsContact O-N 3.13Å; A261-S264 WeakPolarHBondContact O-CA 3.41Å; A261-S264 WeakPolarHBondContact O-CB 3.47Å; A261-S264 PolarHBondContact O-N 2.71Å; A261-V265 PolarHBondContact O-N 3.03Å; A261-V265 VanDerWaalsContact O-N 3.11Å
262	P	98.7	Very high	96.9	Very high	99 Å²	99	54.9 Å²	54.9	64%	0.643	29%	0.287	S	S	*	.	H	α-helix	trans	-52.7	-37.8	177.3	-28.7	35.6	0	0	0	113.3	V265 K266	P262-V265 PolarHBondContact O-N 2.89Å; P262-K266 WeakPolarHBondContact O-CG 3.32Å; P262-K266 PolarHBondContact O-N 3.15Å
263	N	98.7	Very high	96.9	Very high	32 Å²	32	49.9 Å²	49.9	17%	0.171	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-32.3	177.3	-68.6	-25.8	0	0	0	112.9	L181 S184 E188 L190 A261 T267	L181-N263 HydrophobicContact CD1-CB 3.91Å; S184-N263 WeakPolarHBondContact CB-ND2 3.42Å; S184-N263 PolarHBondContact OG-ND2 3.3Å; E188-N263 PolarHBondContact OE2-ND2 2.7Å; L190-N263 HydrophobicContact CD1-CB 3.58Å; L190-N263 HydrophobicContact CD2-CB 4.14Å; A261-N263 PolarHBondContact O-N 3.2Å; A261-N263 VanDerWaalsContact O-N 3.13Å; N263-T267 VanDerWaalsContact O-CB 3.31Å; N263-T267 WeakPolarHBondContact O-CB 3.49Å; N263-T267 PolarHBondContact O-N 3.25Å; N263-T267 PolarHBondContact O-OG1 2.94Å
264	S	98.7	Very high	97.2	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-42.9	171.4	-65.3	0	0	0	0	111.5	L190 S259 A261 T267 A268	L190-S264 VanDerWaalsContact CA-OG 3.23Å; L190-S264 WeakPolarHBondContact CA-OG 3.21Å; L190-S264 WeakPolarHBondContact CB-OG 3.48Å; L190-S264 WeakPolarHBondContact CD2-OG 3.42Å; L190-S264 PolarHBondContact O-OG 3.44Å; S259-S264 WeakPolarHBondContact CB-OG 3.36Å; S259-S264 WeakPolarHBondContact O-CB 3.38Å; S259-S264 PolarHBondContact OG-OG 3.11Å; S259-S264 VanDerWaalsContact OG-OG 3.06Å; A261-S264 WeakPolarHBondContact O-CA 3.41Å; A261-S264 WeakPolarHBondContact O-CB 3.47Å; A261-S264 PolarHBondContact O-N 2.71Å; S264-T267 WeakPolarHBondContact O-CB 3.23Å; S264-T267 PolarHBondContact O-N 2.85Å; S264-A268 PolarHBondContact O-N 3.2Å; S264-A268 VanDerWaalsContact O-N 3.1Å
265	V	98.8	Very high	97.7	Very high	59 Å²	59	43 Å²	43	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-45.8	177.3	173.2	0	0	0	0	111.3	P249 A261 P262 T267 A268 F269	P249-V265 HydrophobicContact CB-CG1 4.2Å; P249-V265 HydrophobicContact CB-CG2 4.39Å; A261-V265 PolarHBondContact O-N 3.03Å; A261-V265 VanDerWaalsContact O-N 3.11Å; P262-V265 PolarHBondContact O-N 2.89Å; V265-T267 VanDerWaalsContact C-N 3.33Å; V265-T267 PolarHBondContact O-N 3.1Å; V265-A268 WeakPolarHBondContact O-CB 3.29Å; V265-A268 PolarHBondContact O-N 2.92Å; V265-F269 PolarHBondContact O-N 3.24Å
266	K	98.8	Very high	98.1	Very high	95 Å²	95	40.6 Å²	40.6	41%	0.413	21%	0.205	S	C	.	.	H	α-helix	trans	-58.2	-45.6	174	-73.9	177.1	-179.6	180	0	111.2	L181 P262 A268 F269 Y270	L181-K266 HydrophobicContact CD1-CB 4.17Å; L181-K266 HydrophobicContact CD2-CB 4.07Å; P262-K266 WeakPolarHBondContact O-CG 3.32Å; P262-K266 PolarHBondContact O-N 3.15Å; K266-A268 VanDerWaalsContact C-N 3.28Å; K266-A268 PolarHBondContact O-N 3Å; K266-F269 WeakPolarHBondContact O-CB 3.37Å; K266-F269 PolarHBondContact O-N 2.73Å; K266-F269 VanDerWaalsContact O-N 3.08Å; K266-Y270 WeakPolarHBondContact O-CD2 3.26Å; K266-Y270 PolarHBondContact O-N 2.73Å
267	T	98.8	Very high	98.5	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-55.7	-44.4	178.3	-63.6	0	0	0	0	111.7	F177 L185 W243 N263 S264 V265 F269 Y270 L271	F177-T267 HydrophobicContact CE1-CG2 4.35Å; L185-T267 HydrophobicContact CD1-CG2 4.05Å; L185-T267 HydrophobicContact CD2-CG2 3.76Å; L185-T267 HydrophobicContact CG-CG2 4.44Å; W243-T267 HydrophobicContact CH2-CG2 3.63Å; W243-T267 HydrophobicContact CZ3-CG2 4.1Å; N263-T267 VanDerWaalsContact O-CB 3.31Å; N263-T267 WeakPolarHBondContact O-CB 3.49Å; N263-T267 PolarHBondContact O-N 3.25Å; N263-T267 PolarHBondContact O-OG1 2.94Å; S264-T267 WeakPolarHBondContact O-CB 3.23Å; S264-T267 PolarHBondContact O-N 2.85Å; V265-T267 VanDerWaalsContact C-N 3.33Å; V265-T267 PolarHBondContact O-N 3.1Å; T267-F269 PolarHBondContact O-N 2.9Å; T267-Y270 PolarHBondContact O-N 3.05Å; T267-L271 PolarHBondContact O-N 3.48Å; T267-L271 VanDerWaalsContact O-N 3.1Å
268	A	98.9	Very high	98.7	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-58.1	-48.5	175.8	0	0	0	0	0	111.4	Y63 P245 P249 S264 V265 K266 Y270 L271 A272	Y63-A268 HydrophobicContact CD2-CB 4.42Å; Y63-A268 HydrophobicContact CE2-CB 4.28Å; Y63-A268 WeakPolarHBondContact CE2-O 3.13Å; P245-A268 HydrophobicContact CB-CB 4.47Å; P245-A268 WeakPolarHBondContact O-CB 3.48Å; P249-A268 HydrophobicContact CG-CB 4Å; S264-A268 PolarHBondContact O-N 3.2Å; S264-A268 VanDerWaalsContact O-N 3.1Å; V265-A268 WeakPolarHBondContact O-CB 3.29Å; V265-A268 PolarHBondContact O-N 2.92Å; K266-A268 VanDerWaalsContact C-N 3.28Å; K266-A268 PolarHBondContact O-N 3Å; A268-Y270 PolarHBondContact O-N 3.02Å; A268-L271 PolarHBondContact O-N 3.29Å; A268-A272 WeakPolarHBondContact O-CB 3.36Å; A268-A272 PolarHBondContact O-N 3.2Å
269	F	98.9	Very high	98.7	Very high	95 Å²	95	32.4 Å²	32.4	42%	0.417	17%	0.174	S	C	.	.	H	α-helix	trans	-59.9	-47.9	178.4	174.8	-97.7	0	0	0	112.6	A66 V265 K266 T267 L271 A272 D273	A66-F269 WeakPolarHBondContact O-CE2 3.43Å; V265-F269 PolarHBondContact O-N 3.24Å; K266-F269 WeakPolarHBondContact O-CB 3.37Å; K266-F269 PolarHBondContact O-N 2.73Å; K266-F269 VanDerWaalsContact O-N 3.08Å; T267-F269 PolarHBondContact O-N 2.9Å; F269-L271 PolarHBondContact O-N 3.45Å; F269-A272 PolarHBondContact O-N 3.44Å; F269-D273 HydrophobicContact CE1-CB 4.43Å; F269-D273 HydrophobicContact CZ-CB 4.45Å; F269-D273 WeakPolarHBondContact O-CB 3.44Å; F269-D273 PolarHBondContact O-N 3.45Å
270	Y	98.8	Very high	98.7	Very high	65 Å²	65	34 Å²	34	26%	0.255	18%	0.177	S	C	.	.	H	α-helix	trans	-65.9	-35.5	-177.3	-84.9	-87.5	0	0	0	113.1	F177 P178 L181 K266 T267 A268 F274	F177-Y270 HydrophobicContact CD2-CD1 4.45Å; F177-Y270 VanDerWaalsContact CE2-CB 3.47Å; F177-Y270 HydrophobicContact CE2-CG 4.45Å; F177-Y270 HydrophobicContact CZ-CG 4.43Å; P178-Y270 VanDerWaalsContact CD-CE1 3.49Å; P178-Y270 VanDerWaalsContact CD-CZ 3.43Å; P178-Y270 HydrophobicContact CG-CE1 4.04Å; P178-Y270 HydrophobicContact CG-CE2 4.04Å; P178-Y270 VanDerWaalsContact CG-OH 3.27Å; P178-Y270 WeakPolarHBondContact CG-OH 3.47Å; L181-Y270 HydrophobicContact CD2-CD2 3.71Å; L181-Y270 HydrophobicContact CD2-CE2 4.14Å; L181-Y270 HydrophobicContact CD2-CG 4.34Å; K266-Y270 WeakPolarHBondContact O-CD2 3.26Å; K266-Y270 PolarHBondContact O-N 2.73Å; T267-Y270 PolarHBondContact O-N 3.05Å; A268-Y270 PolarHBondContact O-N 3.02Å; Y270-F274 WeakPolarHBondContact O-CB 3.2Å; Y270-F274 PolarHBondContact O-N 3.3Å
271	L	98.9	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-37.8	173.2	-71.4	-172.8	0	0	0	112.2	Y63 W131 M173 F174 F177 V241 W243 P245 T267 A268 F269 F275	Y63-L271 VanDerWaalsContact OH-C 3.28Å; Y63-L271 WeakPolarHBondContact OH-CB 3.41Å; W131-L271 HydrophobicContact CH2-CB 4.05Å; W131-L271 HydrophobicContact CH2-CD1 4.18Å; W131-L271 HydrophobicContact CH2-CD2 4.12Å; W131-L271 HydrophobicContact CH2-CG 4.35Å; W131-L271 HydrophobicContact CZ2-CB 4.42Å; W131-L271 HydrophobicContact CZ2-CD1 4.23Å; M173-L271 HydrophobicContact CG-CD2 3.64Å; M173-L271 HydrophobicContact SD-CD2 3.96Å; F174-L271 HydrophobicContact CD1-CD2 4.48Å; F174-L271 HydrophobicContact CE1-CD2 3.99Å; F177-L271 HydrophobicContact CE2-CD2 3.85Å; F177-L271 HydrophobicContact CE2-CG 4.49Å; F177-L271 HydrophobicContact CZ-CD2 3.49Å; F177-L271 VanDerWaalsContact CZ-CD2 3.49Å; F177-L271 HydrophobicContact CZ-CG 3.75Å; V241-L271 HydrophobicContact CG1-CD1 4.45Å; W243-L271 HydrophobicContact CH2-CD1 3.31Å; W243-L271 HydrophobicContact CH2-CG 4.49Å; W243-L271 HydrophobicContact CZ2-CD1 3.68Å; W243-L271 HydrophobicContact CZ3-CD1 4.18Å; P245-L271 HydrophobicContact CB-CD1 4.04Å; P245-L271 HydrophobicContact CG-CD1 4.26Å; T267-L271 PolarHBondContact O-N 3.48Å; T267-L271 VanDerWaalsContact O-N 3.1Å; A268-L271 PolarHBondContact O-N 3.29Å; F269-L271 PolarHBondContact O-N 3.45Å; L271-F275 PolarHBondContact O-N 2.67Å
272	A	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-46.3	174.9	0	0	0	0	0	110.9	Y63 A67 A268 F269 F274 F275 V276	Y63-A272 HydrophobicContact CD1-CB 4.28Å; Y63-A272 HydrophobicContact CD2-CB 3.97Å; Y63-A272 HydrophobicContact CE1-CB 3.98Å; Y63-A272 HydrophobicContact CE2-CB 3.68Å; Y63-A272 HydrophobicContact CG-CB 4.27Å; Y63-A272 VanDerWaalsContact O-CB 3.28Å; Y63-A272 WeakPolarHBondContact O-CB 3.47Å; Y63-A272 PolarHBondContact OH-N 3.17Å; Y63-A272 VanDerWaalsContact OH-N 3.15Å; A67-A272 HydrophobicContact CB-CB 3.63Å; A67-A272 WeakPolarHBondContact CB-O 3.39Å; A268-A272 WeakPolarHBondContact O-CB 3.36Å; A268-A272 PolarHBondContact O-N 3.2Å; F269-A272 PolarHBondContact O-N 3.44Å; A272-F274 PolarHBondContact O-N 3.28Å; A272-F275 PolarHBondContact O-N 2.65Å; A272-V276 WeakPolarHBondContact O-CG2 2.98Å; A272-V276 PolarHBondContact O-N 3.31Å
273	D	98.8	Very high	98.6	Very high	52 Å²	52	35.5 Å²	35.5	28%	0.278	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-44.6	177.6	-177.1	56.5	0	0	0	111.5	A67 F269 F275 V276 S277	A67-D273 HydrophobicContact CB-CB 4.43Å; F269-D273 HydrophobicContact CE1-CB 4.43Å; F269-D273 HydrophobicContact CZ-CB 4.45Å; F269-D273 WeakPolarHBondContact O-CB 3.44Å; F269-D273 PolarHBondContact O-N 3.45Å; D273-F275 PolarHBondContact O-N 2.94Å; D273-V276 PolarHBondContact O-N 3.4Å; D273-S277 VanDerWaalsContact O-CB 3.3Å; D273-S277 WeakPolarHBondContact O-CB 3.27Å; D273-S277 PolarHBondContact O-N 2.92Å
274	F	98.8	Very high	98.6	Very high	11 Å²	11	35.6 Å²	35.6	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-54.1	-53.5	172.2	168.3	-101.4	0	0	0	111.6	W131 R172 M173 Y239 Y270 A272 V276 S277 E278	W131-F274 AromaticContact CZ3-CD1 3.94Å; W131-F274 HydrophobicContact CZ3-CD1 3.94Å; W131-F274 HydrophobicContact CZ3-CE1 4.17Å; R172-F274 HydrophobicContact CB-CE2 3.93Å; R172-F274 HydrophobicContact CB-CZ 4.04Å; R172-F274 WeakPolarHBondContact O-CE2 3.42Å; M173-F274 HydrophobicContact CB-CD1 4.39Å; M173-F274 HydrophobicContact CB-CE1 4.03Å; M173-F274 HydrophobicContact CB-CZ 4.21Å; M173-F274 HydrophobicContact CG-CD1 4.08Å; M173-F274 HydrophobicContact CG-CE1 4.09Å; Y239-F274 AromaticContact CD1-CE1 3.66Å; Y239-F274 HydrophobicContact CD1-CE1 3.66Å; Y239-F274 AromaticContact CD1-CZ 3.91Å; Y239-F274 HydrophobicContact CD1-CZ 3.91Å; Y239-F274 HydrophobicContact CD2-CE1 4.11Å; Y239-F274 AromaticContact CE1-CE1 3.67Å; Y239-F274 HydrophobicContact CE1-CE1 3.67Å; Y239-F274 AromaticContact CE1-CZ 3.41Å; Y239-F274 HydrophobicContact CE1-CZ 3.41Å; Y239-F274 VanDerWaalsContact CE1-CZ 3.41Å; Y239-F274 HydrophobicContact CE2-CE1 4.08Å; Y239-F274 HydrophobicContact CE2-CZ 4.13Å; Y239-F274 AromaticContact CG-CE1 3.9Å; Y239-F274 HydrophobicContact CG-CE1 3.9Å; Y239-F274 HydrophobicContact CG-CZ 4.48Å; Y239-F274 AromaticContact CZ-CE1 3.87Å; Y239-F274 AromaticContact CZ-CZ 3.52Å; Y270-F274 WeakPolarHBondContact O-CB 3.2Å; Y270-F274 PolarHBondContact O-N 3.3Å; A272-F274 PolarHBondContact O-N 3.28Å; F274-V276 PolarHBondContact O-N 3.06Å; F274-S277 WeakPolarHBondContact O-CB 3.41Å; F274-S277 PolarHBondContact O-N 3.43Å; F274-S277 VanDerWaalsContact O-N 3.14Å; F274-S277 PolarHBondContact O-OG 2.66Å; F274-E278 HydrophobicContact CE1-CG 4.26Å; F274-E278 HydrophobicContact CE2-CG 4.16Å; F274-E278 HydrophobicContact CZ-CG 3.91Å; F274-E278 PolarHBondContact O-N 3.18Å
275	F	98.9	Very high	98.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-38.7	-177.2	-179.6	-131.6	0	0	0	112.7	I36 I64 I93 L94 P129 W131 L271 A272 D273 S277 E278 A279	I36-F275 HydrophobicContact CD1-CD1 4.04Å; I36-F275 HydrophobicContact CD1-CE1 3.83Å; I36-F275 HydrophobicContact CD1-CZ 4.38Å; I36-F275 HydrophobicContact CG2-CE1 3.78Å; I36-F275 HydrophobicContact CG2-CZ 4.2Å; I64-F275 HydrophobicContact CD1-CD1 3.71Å; I64-F275 HydrophobicContact CD1-CE1 3.98Å; I93-F275 WeakPolarHBondContact O-CZ 3.35Å; L94-F275 HydrophobicContact CB-CE1 4.16Å; L94-F275 HydrophobicContact CD1-CE1 4.42Å; P129-F275 HydrophobicContact CB-CD2 4.32Å; P129-F275 HydrophobicContact CB-CE2 3.85Å; P129-F275 HydrophobicContact CG-CE2 4.07Å; W131-F275 HydrophobicContact CB-CD1 3.96Å; W131-F275 HydrophobicContact CB-CD2 3.9Å; W131-F275 HydrophobicContact CB-CE1 3.64Å; W131-F275 HydrophobicContact CB-CE2 3.59Å; W131-F275 HydrophobicContact CB-CG 4.1Å; W131-F275 HydrophobicContact CB-CZ 3.46Å; W131-F275 VanDerWaalsContact CB-CZ 3.46Å; W131-F275 HydrophobicContact CD2-CB 4.44Å; W131-F275 HydrophobicContact CD2-CD1 4.49Å; W131-F275 HydrophobicContact CD2-CG 4.24Å; W131-F275 HydrophobicContact CE3-CB 3.73Å; W131-F275 HydrophobicContact CE3-CD1 4.47Å; W131-F275 AromaticContact CE3-CD2 3.91Å; W131-F275 HydrophobicContact CE3-CD2 3.91Å; W131-F275 AromaticContact CE3-CG 3.79Å; W131-F275 HydrophobicContact CE3-CG 3.79Å; W131-F275 HydrophobicContact CG-CD1 4.29Å; W131-F275 HydrophobicContact CG-CE1 4.37Å; W131-F275 HydrophobicContact CG-CG 4.39Å; W131-F275 HydrophobicContact CZ3-CB 4.1Å; L271-F275 PolarHBondContact O-N 2.67Å; A272-F275 PolarHBondContact O-N 2.65Å; D273-F275 PolarHBondContact O-N 2.94Å; F275-S277 VanDerWaalsContact C-N 3.31Å; F275-S277 PolarHBondContact O-N 2.91Å; F275-E278 WeakPolarHBondContact O-CB 3.37Å; F275-E278 PolarHBondContact O-N 3.17Å; F275-A279 PolarHBondContact O-N 2.91Å; F275-A279 VanDerWaalsContact O-N 3.1Å
276	V	98.8	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-34	174.3	178.5	0	0	0	0	111	P34 I36 A67 A69 A272 D273 F274 E278 A279 R280	P34-V276 HydrophobicContact CG-CG1 3.69Å; I36-V276 HydrophobicContact CD1-CG2 3.9Å; A67-V276 HydrophobicContact CB-CB 4.04Å; A67-V276 HydrophobicContact CB-CG2 3.58Å; A69-V276 HydrophobicContact CB-CB 4.39Å; A69-V276 HydrophobicContact CB-CG1 3.75Å; A69-V276 HydrophobicContact CB-CG2 3.63Å; A272-V276 WeakPolarHBondContact O-CG2 2.98Å; A272-V276 PolarHBondContact O-N 3.31Å; D273-V276 PolarHBondContact O-N 3.4Å; F274-V276 PolarHBondContact O-N 3.06Å; V276-E278 VanDerWaalsContact C-N 3.29Å; V276-E278 PolarHBondContact O-N 3.27Å; V276-A279 PolarHBondContact O-N 2.8Å; V276-A279 VanDerWaalsContact O-N 3.15Å; V276-R280 VanDerWaalsContact CG1-CZ 3.5Å; V276-R280 WeakPolarHBondContact O-CG 3.46Å; V276-R280 PolarHBondContact O-N 3.41Å; V276-R280 VanDerWaalsContact O-N 3.12Å
277	S	98.6	Very high	98.2	Very high	40 Å²	40	45.9 Å²	45.9	28%	0.28	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-36.3	173.3	86	0	0	0	0	112.1	D273 F274 F275 R280	D273-S277 VanDerWaalsContact O-CB 3.3Å; D273-S277 WeakPolarHBondContact O-CB 3.27Å; D273-S277 PolarHBondContact O-N 2.92Å; F274-S277 WeakPolarHBondContact O-CB 3.41Å; F274-S277 PolarHBondContact O-N 3.43Å; F274-S277 VanDerWaalsContact O-N 3.14Å; F274-S277 PolarHBondContact O-OG 2.66Å; F275-S277 VanDerWaalsContact C-N 3.31Å; F275-S277 PolarHBondContact O-N 2.91Å; S277-R280 PolarHBondContact O-N 3.46Å
278	E	98.8	Very high	97.9	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-41.5	171.8	-68.7	-72.1	107.4	0	0	111.2	H127 P129 Y239 F274 F275 V276 R280 K281	H127-E278 IonicContact CE1-OE2 3.07Å; H127-E278 PolarHBondContact CE1-OE2 3.37Å; H127-E278 IonicContact NE2-OE2 2.74Å; H127-E278 PolarHBondContact NE2-OE2 3.3Å; P129-E278 HydrophobicContact CB-CB 3.7Å; P129-E278 HydrophobicContact CG-CB 3.91Å; Y239-E278 HydrophobicContact CE2-CB 4.44Å; Y239-E278 HydrophobicContact CE2-CG 3.77Å; Y239-E278 PolarHBondContact OH-OE2 3.43Å; F274-E278 HydrophobicContact CE1-CG 4.26Å; F274-E278 HydrophobicContact CE2-CG 4.16Å; F274-E278 HydrophobicContact CZ-CG 3.91Å; F274-E278 PolarHBondContact O-N 3.18Å; F275-E278 WeakPolarHBondContact O-CB 3.37Å; F275-E278 PolarHBondContact O-N 3.17Å; V276-E278 VanDerWaalsContact C-N 3.29Å; V276-E278 PolarHBondContact O-N 3.27Å; E278-R280 PolarHBondContact O-N 3.06Å; E278-K281 VanDerWaalsContact O-CB 3.31Å; E278-K281 WeakPolarHBondContact O-CB 3.35Å; E278-K281 PolarHBondContact O-N 3.4Å; E278-K281 VanDerWaalsContact O-N 3.1Å; E278-K281 WeakPolarHBondContact OE1-CE 3.46Å; E278-K281 IonicContact OE1-NZ 2.61Å; E278-K281 PolarHBondContact OE1-NZ 3.03Å
279	A	98.8	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-21.9	179.4	0	0	0	0	0	112.8	P34 I36 N91 P129 F275 V276 K281	P34-A279 HydrophobicContact CB-CB 4.17Å; I36-A279 HydrophobicContact CD1-CB 3.87Å; I36-A279 HydrophobicContact CG1-CB 4Å; N91-A279 HydrophobicContact CB-CB 4.08Å; N91-A279 WeakPolarHBondContact CB-O 3.46Å; N91-A279 WeakPolarHBondContact O-CA 3.45Å; N91-A279 WeakPolarHBondContact O-CB 3.49Å; P129-A279 HydrophobicContact CG-CB 4.13Å; F275-A279 PolarHBondContact O-N 2.91Å; F275-A279 VanDerWaalsContact O-N 3.1Å; V276-A279 PolarHBondContact O-N 2.8Å; V276-A279 VanDerWaalsContact O-N 3.15Å; A279-K281 PolarHBondContact O-N 3.37Å
280	R	98.5	Very high	97.5	Very high	55 Å²	55	54.6 Å²	54.6	21%	0.208	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.7	174.9	-67.9	176.5	-174.5	111.3	2.1	113.3	Y27 K32 P34 A67 V276 S277 E278	Y27-R280 WeakPolarHBondContact OH-CD 3.24Å; K32-R280 HydrophobicContact CB-CB 4.38Å; K32-R280 HydrophobicContact CB-CG 4.12Å; K32-R280 HydrophobicContact CG-CB 4.46Å; P34-R280 HydrophobicContact CB-CG 4.41Å; P34-R280 HydrophobicContact CG-CG 3.96Å; A67-R280 PolarHBondContact O-NH2 3.2Å; A67-R280 VanDerWaalsContact O-NH2 3.07Å; V276-R280 VanDerWaalsContact CG1-CZ 3.5Å; V276-R280 WeakPolarHBondContact O-CG 3.46Å; V276-R280 PolarHBondContact O-N 3.41Å; V276-R280 VanDerWaalsContact O-N 3.12Å; S277-R280 PolarHBondContact O-N 3.46Å; E278-R280 PolarHBondContact O-N 3.06Å
281	K	97.8	Very high	97.3	Very high	117 Å²	117	56.3 Å²	56.3	51%	0.509	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.9	-173.8	-60.7	178.3	179.9	-179.8	0	115.1	H127 E278 A279	H127-K281 HydrophobicContact CB-CB 4.07Å; E278-K281 VanDerWaalsContact O-CB 3.31Å; E278-K281 WeakPolarHBondContact O-CB 3.35Å; E278-K281 PolarHBondContact O-N 3.4Å; E278-K281 VanDerWaalsContact O-N 3.1Å; E278-K281 WeakPolarHBondContact OE1-CE 3.46Å; E278-K281 IonicContact OE1-NZ 2.61Å; E278-K281 PolarHBondContact OE1-NZ 3.03Å; A279-K281 PolarHBondContact O-N 3.37Å
282	N	97.8	Very high	97.3	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.016	27%	0.274	C	S	.	.	S	Bend	trans	-117.6	172	170.6	60.8	65.8	0	0	0	112.3	K32 N91 D126 H127 H284	K32-N282 PolarHBondContact NZ-O 2.66Å; N91-N282 WeakPolarHBondContact CA-OD1 3.3Å; N91-N282 WeakPolarHBondContact CB-OD1 3.37Å; N91-N282 PolarHBondContact ND2-OD1 3.36Å; N91-N282 PolarHBondContact O-ND2 2.85Å; D126-N282 WeakPolarHBondContact OD1-CB 3.16Å; H127-N282 WeakPolarHBondContact O-CB 3.45Å; H127-N282 PolarHBondContact O-ND2 3.03Å; N282-H284 WeakPolarHBondContact OD1-CB 3.18Å; N282-H284 PolarHBondContact OD1-N 3.43Å
283	N	96.9	Very high	97.2	Very high	111 Å²	111	62.9 Å²	62.9	59%	0.594	30%	0.299	S	S	*	.			trans	-110.2	15	-178.3	-69.1	-51.3	0	0	0	113.1	K32 R285	K32-N283 PolarHBondContact NZ-OD1 3.36Å; N283-R285 PolarHBondContact O-NH1 2.68Å
284	H	98.2	Very high	97.1	Very high	33 Å²	33	68.1 Å²	68.1	15%	0.153	32%	0.315	C	S	.	.			trans	-59.6	141	177.3	-71.9	-165	0	0	0	110.9	F87 R88 I90 N91 D126 F128 N282	F87-H284 AromaticContact CE1-CE1 3.77Å; F87-H284 PolarHBondContact O-CE1 3.36Å; F87-H284 PolarHBondContact O-ND1 3.04Å; R88-H284 VanDerWaalsContact O-CB 3.3Å; R88-H284 WeakPolarHBondContact O-CB 3.46Å; I90-H284 WeakPolarHBondContact O-CB 3.44Å; I90-H284 PolarHBondContact O-ND1 3.18Å; N91-H284 PolarHBondContact ND2-O 2.9Å; D126-H284 IonicContact OD1-NE2 3.81Å; D126-H284 IonicContact OD2-CD2 3.88Å; D126-H284 IonicContact OD2-CE1 3.27Å; D126-H284 PolarHBondContact OD2-CE1 3.37Å; D126-H284 VanDerWaalsContact OD2-CE1 3.27Å; D126-H284 IonicContact OD2-NE2 2.89Å; D126-H284 PolarHBondContact OD2-NE2 3.29Å; F128-H284 AromaticContact CD2-CE1 3.72Å; F128-H284 AromaticContact CD2-ND1 3.6Å; F128-H284 AromaticContact CE2-ND1 3.86Å; N282-H284 WeakPolarHBondContact OD1-CB 3.18Å; N282-H284 PolarHBondContact OD1-N 3.43Å
285	R	97.3	Very high	97.1	Very high	176 Å²	176	69.2 Å²	69.2	66%	0.664	32%	0.324	S	S	*	.			trans	-164	153	179.7	63.1	-172.4	-175.6	-75.7	-1.4	108.9	R88 S89 N283	R88-R285 PolarHBondContact O-N 3.2Å; S89-R285 CarbonylContact O-C 3.52Å; S89-R285 WeakPolarHBondContact O-CA 3.34Å; N283-R285 PolarHBondContact O-NH1 2.68Å
286	Y	97.3	Very high	97	Very high	16 Å²	16	69.7 Å²	69.7	6%	0.063	33%	0.326	C	S	.	.			trans	-62	140.5	165.7	-74.6	-97	0	0	0	109.7	I35 V72 I90 N288 E291 E292 S295	I35-Y286 HydrophobicContact CD1-CD2 3.89Å; I35-Y286 HydrophobicContact CD1-CE2 3.92Å; V72-Y286 HydrophobicContact CG2-CE2 4.43Å; I90-Y286 HydrophobicContact CG2-CE2 4.35Å; Y286-N288 PolarHBondContact O-N 2.83Å; Y286-E291 HydrophobicContact CD1-CB 4Å; Y286-E292 HydrophobicContact CD1-CB 4.32Å; Y286-E292 HydrophobicContact CD2-CB 3.81Å; Y286-E292 HydrophobicContact CD2-CG 3.73Å; Y286-E292 HydrophobicContact CE2-CG 4.3Å; Y286-E292 HydrophobicContact CG-CB 3.7Å; Y286-E292 HydrophobicContact CG-CG 4.17Å; Y286-S295 VanDerWaalsContact OH-CB 3.31Å; Y286-S295 WeakPolarHBondContact OH-CB 3.4Å
287	E	93.7	Very high	97	Very high	182 Å²	182	69.7 Å²	69.7	85%	0.85	33%	0.327	S	S	*	.	S	Bend	trans	-67.7	-30.6	173	-65.6	-178.5	-176.4	0	0	111.1
288	N	92.7	Very high	97	Very high	65 Å²	65	74.2 Å²	74.2	35%	0.348	34%	0.338	S	S	.	.			trans	-124.8	125	-175.4	-179.9	4	0	0	0	111.5	Y286 F290 E291 E292	Y286-N288 PolarHBondContact O-N 2.83Å; N288-F290 PolarHBondContact O-N 2.8Å; N288-F290 WeakPolarHBondContact OD1-CB 3.28Å; N288-F290 PolarHBondContact OD1-N 2.91Å; N288-E291 HydrophobicContact CB-CB 4.16Å; N288-E291 HydrophobicContact CB-CG 4.02Å; N288-E291 PolarHBondContact O-N 2.92Å; N288-E291 VanDerWaalsContact O-N 3.12Å; N288-E292 PolarHBondContact O-N 2.83Å
289	V	94	Very high	97	Very high	97 Å²	97	79.4 Å²	79.4	59%	0.588	36%	0.363	S	S	*	.	H	α-helix	trans	-59.4	-32.5	176.2	177.6	0	0	0	0	111.9	E292 M293	V289-E292 WeakPolarHBondContact O-CB 3.31Å; V289-E292 PolarHBondContact O-N 2.94Å; V289-M293 HydrophobicContact CG1-CG 4.34Å; V289-M293 HydrophobicContact CG1-SD 4.2Å; V289-M293 WeakPolarHBondContact O-CB 3.36Å; V289-M293 VanDerWaalsContact O-CG 3.29Å; V289-M293 WeakPolarHBondContact O-CG 3.17Å; V289-M293 PolarHBondContact O-N 3.1Å
290	F	95.1	Very high	97	Very high	121 Å²	121	83.1 Å²	83.1	53%	0.531	38%	0.379	S	S	.	.	H	α-helix	trans	-67.4	-40	177.1	-176.9	-101.2	0	0	0	112.1	N288 M293 R294	N288-F290 PolarHBondContact O-N 2.8Å; N288-F290 WeakPolarHBondContact OD1-CB 3.28Å; N288-F290 PolarHBondContact OD1-N 2.91Å; F290-M293 PolarHBondContact O-N 3.22Å; F290-R294 HydrophobicContact CE1-CG 4.33Å; F290-R294 HydrophobicContact CZ-CG 4.42Å; F290-R294 WeakPolarHBondContact O-CB 3.36Å; F290-R294 WeakPolarHBondContact O-CG 3.48Å; F290-R294 PolarHBondContact O-N 2.85Å; F290-R294 VanDerWaalsContact O-N 3.09Å
291	E	95.6	Very high	97	Very high	100 Å²	100	89.5 Å²	89.5	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-41.5	174.4	-71.6	176.2	-175.2	0	0	111.3	Y286 N288 R294 S295	Y286-E291 HydrophobicContact CD1-CB 4Å; N288-E291 HydrophobicContact CB-CB 4.16Å; N288-E291 HydrophobicContact CB-CG 4.02Å; N288-E291 PolarHBondContact O-N 2.92Å; N288-E291 VanDerWaalsContact O-N 3.12Å; E291-R294 PolarHBondContact O-N 2.83Å; E291-S295 WeakPolarHBondContact O-CB 3.37Å; E291-S295 PolarHBondContact O-N 3.08Å; E291-S295 PolarHBondContact O-OG 3.36Å
292	E	97.6	Very high	97	Very high	31 Å²	31	85.9 Å²	85.9	15%	0.145	40%	0.397	C	S	.	.	H	α-helix	trans	-53.5	-58.5	171.7	-172.1	176.4	125.9	0	0	110.3	I35 R70 Y286 N288 V289 R294 S295 L296	I35-E292 HydrophobicContact CD1-CG 3.65Å; R70-E292 IonicContact CZ-OE1 3.16Å; R70-E292 IonicContact NH1-OE1 2.62Å; R70-E292 PolarHBondContact NH1-OE1 3.22Å; R70-E292 IonicContact NH2-OE1 2.91Å; R70-E292 PolarHBondContact NH2-OE1 3.43Å; Y286-E292 HydrophobicContact CD1-CB 4.32Å; Y286-E292 HydrophobicContact CD2-CB 3.81Å; Y286-E292 HydrophobicContact CD2-CG 3.73Å; Y286-E292 HydrophobicContact CE2-CG 4.3Å; Y286-E292 HydrophobicContact CG-CB 3.7Å; Y286-E292 HydrophobicContact CG-CG 4.17Å; N288-E292 PolarHBondContact O-N 2.83Å; V289-E292 WeakPolarHBondContact O-CB 3.31Å; V289-E292 PolarHBondContact O-N 2.94Å; E292-R294 VanDerWaalsContact C-N 3.25Å; E292-R294 PolarHBondContact O-N 3.02Å; E292-S295 PolarHBondContact O-N 3.04Å; E292-L296 WeakPolarHBondContact O-CG 3.43Å; E292-L296 PolarHBondContact O-N 3.39Å
293	M	96.8	Very high	97	Very high	108 Å²	108	88.6 Å²	88.6	53%	0.532	41%	0.413	S	S	.	.	H	α-helix	trans	-55.9	-38	-177.4	-75.6	179.3	67.4	0	0	113.3	V289 F290 S295 Q299	V289-M293 HydrophobicContact CG1-CG 4.34Å; V289-M293 HydrophobicContact CG1-SD 4.2Å; V289-M293 WeakPolarHBondContact O-CB 3.36Å; V289-M293 VanDerWaalsContact O-CG 3.29Å; V289-M293 WeakPolarHBondContact O-CG 3.17Å; V289-M293 PolarHBondContact O-N 3.1Å; F290-M293 PolarHBondContact O-N 3.22Å; M293-S295 VanDerWaalsContact C-N 3.35Å; M293-Q299 VanDerWaalsContact O-CG 3.26Å; M293-Q299 WeakPolarHBondContact O-CG 3.39Å; M293-Q299 PolarHBondContact O-NE2 3.19Å
294	R	97.1	Very high	97.1	Very high	162 Å²	162	89.8 Å²	89.8	61%	0.611	41%	0.41	S	S	*	.	H	α-helix	trans	-75.3	-23.5	179	-74.9	-179.6	65.5	144	1	113.7	F290 E291 E292	F290-R294 HydrophobicContact CE1-CG 4.33Å; F290-R294 HydrophobicContact CZ-CG 4.42Å; F290-R294 WeakPolarHBondContact O-CB 3.36Å; F290-R294 WeakPolarHBondContact O-CG 3.48Å; F290-R294 PolarHBondContact O-N 2.85Å; F290-R294 VanDerWaalsContact O-N 3.09Å; E291-R294 PolarHBondContact O-N 2.83Å; E292-R294 VanDerWaalsContact C-N 3.25Å; E292-R294 PolarHBondContact O-N 3.02Å
295	S	97.9	Very high	97	Very high	33 Å²	33	88.2 Å²	88.2	23%	0.231	40%	0.403	C	S	.	.	H	α-helix	trans	-88.3	-21.7	-177.7	-56	0	0	0	0	112.5	P73 Y286 E291 E292 M293	P73-S295 WeakPolarHBondContact CD-O 3.32Å; Y286-S295 VanDerWaalsContact OH-CB 3.31Å; Y286-S295 WeakPolarHBondContact OH-CB 3.4Å; E291-S295 WeakPolarHBondContact O-CB 3.37Å; E291-S295 PolarHBondContact O-N 3.08Å; E291-S295 PolarHBondContact O-OG 3.36Å; E292-S295 PolarHBondContact O-N 3.04Å; M293-S295 VanDerWaalsContact C-N 3.35Å
296	L	98.8	Very high	96.9	Very high	10 Å²	10	80 Å²	80	5%	0.052	37%	0.373	C	S	.	.	S	Bend	trans	-64.3	149.5	-177.8	-67.8	178.4	0	0	0	113.2	I35 R70 V71 V72 E292 Y298 Q299	I35-L296 HydrophobicContact CD1-CD2 4.41Å; I35-L296 HydrophobicContact CG2-CD2 4.25Å; R70-L296 HydrophobicContact CB-CD2 3.92Å; V71-L296 WeakPolarHBondContact O-CA 3.39Å; V72-L296 HydrophobicContact CG2-CD2 4.05Å; E292-L296 WeakPolarHBondContact O-CG 3.43Å; E292-L296 PolarHBondContact O-N 3.39Å; L296-Y298 HydrophobicContact CB-CD2 3.97Å; L296-Y298 HydrophobicContact CB-CG 4.48Å; L296-Y298 HydrophobicContact CD1-CD2 3.8Å; L296-Y298 HydrophobicContact CD1-CE2 4.04Å; L296-Y298 HydrophobicContact CG-CD2 4.47Å; L296-Y298 PolarHBondContact O-N 3.08Å; L296-Q299 PolarHBondContact O-N 3.34Å; L296-Q299 VanDerWaalsContact O-N 3.09Å
297	I	98.8	Very high	96.8	Very high	1 Å²	1	84.5 Å²	84.5	1%	0.005	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-56.5	-23	176.2	-162.6	60.3	0	0	0	113	V61 V71 P73 Q299 F300 Y315 F317	V61-I297 HydrophobicContact CG1-CB 4.48Å; V61-I297 HydrophobicContact CG1-CG1 3.98Å; V61-I297 HydrophobicContact CG1-CG2 3.93Å; V61-I297 HydrophobicContact CG2-CD1 4.43Å; V61-I297 HydrophobicContact CG2-CG1 4.1Å; V71-I297 HydrophobicContact CB-CB 4.13Å; V71-I297 HydrophobicContact CB-CG2 3.92Å; V71-I297 HydrophobicContact CG1-CB 4.14Å; V71-I297 HydrophobicContact CG1-CG1 4.5Å; V71-I297 HydrophobicContact CG1-CG2 4.45Å; V71-I297 PolarHBondContact O-N 3.05Å; P73-I297 HydrophobicContact CB-CD1 4.02Å; P73-I297 HydrophobicContact CG-CD1 3.92Å; I297-Q299 PolarHBondContact O-N 2.81Å; I297-Q299 VanDerWaalsContact O-N 3.14Å; I297-F300 HydrophobicContact CD1-CB 4.42Å; I297-F300 HydrophobicContact CD1-CD2 4.35Å; I297-F300 PolarHBondContact O-N 2.95Å; I297-Y315 HydrophobicContact CD1-CD1 3.7Å; I297-Y315 HydrophobicContact CD1-CD2 4.23Å; I297-Y315 HydrophobicContact CD1-CE1 3.79Å; I297-Y315 HydrophobicContact CD1-CE2 4.32Å; I297-Y315 HydrophobicContact CD1-CG 3.92Å; I297-Y315 HydrophobicContact CG1-CD1 4.14Å; I297-Y315 HydrophobicContact CG1-CE1 3.68Å; I297-Y315 HydrophobicContact CG1-CE2 4.11Å; I297-F317 HydrophobicContact CD1-CZ 4.29Å
298	Y	98.6	Very high	96.8	Very high	134 Å²	134	78.4 Å²	78.4	53%	0.525	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19.4	177.1	-55	-41.1	0	0	0	114.3	E65 R70 L296 F300	E65-Y298 WeakPolarHBondContact OE1-CE1 3.3Å; E65-Y298 VanDerWaalsContact OE1-CZ 3.25Å; E65-Y298 PolarHBondContact OE1-OH 2.84Å; R70-Y298 HydrophobicContact CG-CE2 4.25Å; L296-Y298 HydrophobicContact CB-CD2 3.97Å; L296-Y298 HydrophobicContact CB-CG 4.48Å; L296-Y298 HydrophobicContact CD1-CD2 3.8Å; L296-Y298 HydrophobicContact CD1-CE2 4.04Å; L296-Y298 HydrophobicContact CG-CD2 4.47Å; L296-Y298 PolarHBondContact O-N 3.08Å; Y298-F300 PolarHBondContact O-N 3Å
299	Q	98.4	Very high	96.9	Very high	113 Å²	113	76.2 Å²	76.2	53%	0.528	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-78.4	-6.7	174.1	-57.3	-55.2	-35.6	0	0	113.2	M293 L296 I297	M293-Q299 VanDerWaalsContact O-CG 3.26Å; M293-Q299 WeakPolarHBondContact O-CG 3.39Å; M293-Q299 PolarHBondContact O-NE2 3.19Å; L296-Q299 PolarHBondContact O-N 3.34Å; L296-Q299 VanDerWaalsContact O-N 3.09Å; I297-Q299 PolarHBondContact O-N 2.81Å; I297-Q299 VanDerWaalsContact O-N 3.14Å
300	F	98.3	Very high	96.9	Very high	77 Å²	77	74.6 Å²	74.6	34%	0.338	35%	0.352	S	S	.	.	S	Bend	trans	-117.6	148.9	-174.7	-54.1	-91.3	0	0	0	110	P73 I297 Y298 Y315 F317	P73-F300 HydrophobicContact CG-CD2 4.02Å; P73-F300 HydrophobicContact CG-CE2 3.68Å; P73-F300 HydrophobicContact CG-CZ 4.16Å; I297-F300 HydrophobicContact CD1-CB 4.42Å; I297-F300 HydrophobicContact CD1-CD2 4.35Å; I297-F300 PolarHBondContact O-N 2.95Å; Y298-F300 PolarHBondContact O-N 3Å; F300-Y315 HydrophobicContact CB-CD1 3.79Å; F300-Y315 HydrophobicContact CB-CE1 4.15Å; F300-F317 HydrophobicContact CB-CE1 4.32Å; F300-F317 AromaticContact CD1-CD1 3.72Å; F300-F317 HydrophobicContact CD1-CD1 3.72Å; F300-F317 AromaticContact CD1-CE1 3.41Å; F300-F317 HydrophobicContact CD1-CE1 3.41Å; F300-F317 VanDerWaalsContact CD1-CE1 3.41Å; F300-F317 HydrophobicContact CD2-CE1 4.28Å; F300-F317 AromaticContact CE1-CD1 3.76Å; F300-F317 HydrophobicContact CE1-CD1 3.76Å; F300-F317 AromaticContact CE1-CE1 3.68Å; F300-F317 HydrophobicContact CE1-CE1 3.68Å; F300-F317 HydrophobicContact CG-CD1 4.48Å; F300-F317 AromaticContact CG-CE1 3.74Å; F300-F317 HydrophobicContact CG-CE1 3.74Å; F300-F317 HydrophobicContact CZ-CE1 4.22Å
301	K	98.2	Very high	97	Very high	189 Å²	189	69.9 Å²	69.9	82%	0.822	33%	0.331	S	S	*	.			trans	-113.9	125.3	178	-65.3	-178.5	-178.3	179.8	0	109.1
302	P	98.2	Very high	97.1	Very high	42 Å²	42	66.9 Å²	66.9	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	154.4	174.3	31.5	-32.5	0	0	0	110.4	Q313 C314 Y315	P302-Q313 HydrophobicContact CB-CB 4.24Å; P302-C314 CarbonylContact C-O 3.55Å; P302-C314 VanDerWaalsContact CA-O 3.26Å; P302-C314 WeakPolarHBondContact CA-O 3.33Å; P302-Y315 HydrophobicContact CB-CD1 4.14Å; P302-Y315 HydrophobicContact CB-CD2 4.1Å; P302-Y315 HydrophobicContact CB-CE1 4.07Å; P302-Y315 HydrophobicContact CB-CE2 4.01Å; P302-Y315 HydrophobicContact CB-CG 4.16Å; P302-Y315 HydrophobicContact CG-CE1 4.09Å; P302-Y315 HydrophobicContact CG-CE2 4.33Å
303	V	97.8	Very high	97.2	Very high	60 Å²	60	68.5 Å²	68.5	36%	0.364	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144	174.5	-177	0	0	0	0	108.4	L51 T305 Q313 C314	L51-V303 HydrophobicContact CD1-CG1 4.27Å; V303-T305 PolarHBondContact O-N 3.06Å; V303-Q313 VanDerWaalsContact O-CA 3.3Å; V303-Q313 WeakPolarHBondContact O-CA 3.45Å; V303-C314 PolarHBondContact N-O 3.06Å; V303-C314 PolarHBondContact O-N 3.22Å; V303-C314 VanDerWaalsContact O-N 3.08Å
304	Y	97.9	Very high	97.2	Very high	135 Å²	135	63.3 Å²	63.3	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124	169.9	173.4	-110.4	0	0	0	110.2	N307 E312	Y304-N307 HydrophobicContact CE1-CB 4.14Å; Y304-E312 WeakPolarHBondContact CD2-O 3.46Å
305	T	97.1	Very high	97.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.			trans	-128.5	4.9	-177.1	55.3	0	0	0	0	113	M48 V303 N307 I308 S309 F311 E312 C314	M48-T305 HydrophobicContact CE-CG2 4.34Å; M48-T305 HydrophobicContact SD-CG2 3.57Å; M48-T305 VanDerWaalsContact SD-CG2 3.57Å; V303-T305 PolarHBondContact O-N 3.06Å; T305-N307 PolarHBondContact O-N 3.29Å; T305-N307 VanDerWaalsContact O-N 3.14Å; T305-I308 HydrophobicContact CG2-CD1 4.21Å; T305-I308 HydrophobicContact CG2-CG1 4.37Å; T305-I308 WeakPolarHBondContact O-CG1 3.41Å; T305-I308 PolarHBondContact O-N 3.39Å; T305-S309 WeakPolarHBondContact CB-OG 3.36Å; T305-S309 PolarHBondContact O-N 2.99Å; T305-S309 PolarHBondContact O-OG 3.11Å; T305-S309 PolarHBondContact OG1-OG 3.44Å; T305-F311 CarbonylContact C-O 3.46Å; T305-F311 PolarHBondContact OG1-O 2.87Å; T305-E312 PolarHBondContact N-O 2.84Å; T305-C314 HydrophobicContact CG2-CB 3.98Å; T305-C314 PolarHBondContact OG1-N 3.3Å
306	G	95.9	Very high	97.3	Very high	4 Å²	4	56.8 Å²	56.8	4%	0.041	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.4	-176.2	0	0	0	0	0	113.9	K253 F311 E312	K253-G306 PolarHBondContact NZ-O 3.18Å; G306-F311 VanDerWaalsContact CA-O 3.3Å; G306-F311 WeakPolarHBondContact CA-O 3.45Å; G306-F311 PolarHBondContact N-O 3.27Å; G306-F311 VanDerWaalsContact N-O 3.08Å; G306-E312 PolarHBondContact N-O 3.24Å
307	N	94.2	Very high	97.3	Very high	111 Å²	111	56.6 Å²	56.6	59%	0.594	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-19.1	175.1	64.2	-17.1	0	0	0	114.5	Y304 T305	Y304-N307 HydrophobicContact CE1-CB 4.14Å; T305-N307 PolarHBondContact O-N 3.29Å; T305-N307 VanDerWaalsContact O-N 3.14Å
308	I	93.7	Very high	96.8	Very high	53 Å²	53	68 Å²	68	27%	0.272	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-2.1	-175	59.8	167	0	0	0	113.8	E47 M48 L51 T305	E47-I308 HydrophobicContact CB-CB 4.06Å; E47-I308 HydrophobicContact CB-CD1 4.02Å; E47-I308 HydrophobicContact CB-CG2 4.27Å; E47-I308 HydrophobicContact CG-CB 4.38Å; E47-I308 HydrophobicContact CG-CG2 4.27Å; M48-I308 HydrophobicContact SD-CD1 4.09Å; L51-I308 HydrophobicContact CD1-CD1 3.94Å; T305-I308 HydrophobicContact CG2-CD1 4.21Å; T305-I308 HydrophobicContact CG2-CG1 4.37Å; T305-I308 WeakPolarHBondContact O-CG1 3.41Å; T305-I308 PolarHBondContact O-N 3.39Å
309	S	94.1	Very high	96.8	Very high	20 Å²	20	64.7 Å²	64.7	14%	0.14	30%	0.302	C	S	.	.	S	Bend	trans	-149.5	-174	-178.5	78.5	0	0	0	0	111.8	K253 T305 F311	K253-S309 PolarHBondContact NZ-O 3.2Å; K253-S309 VanDerWaalsContact NZ-O 3.17Å; T305-S309 WeakPolarHBondContact CB-OG 3.36Å; T305-S309 PolarHBondContact O-N 2.99Å; T305-S309 PolarHBondContact O-OG 3.11Å; T305-S309 PolarHBondContact OG1-OG 3.44Å; S309-F311 VanDerWaalsContact C-N 3.34Å; S309-F311 PolarHBondContact OG-N 2.81Å; S309-F311 VanDerWaalsContact OG-N 3.08Å; S309-F311 PolarHBondContact OG-O 3.36Å
310	T	94.5	Very high	96.7	Very high	63 Å²	63	62.1 Å²	62.1	39%	0.387	29%	0.291	S	S	.	.	S	Bend	trans	-89	0.1	171.8	53.7	0	0	0	0	113.2	L255	L255-T310 HydrophobicContact CD1-CG2 4.19Å
311	F	97.4	Very high	96.6	Very high	21 Å²	21	61.3 Å²	61.3	9%	0.092	29%	0.288	C	S	.	.	S	Bend	trans	-113.3	136.9	-179.8	-51.5	-72.8	0	0	0	110.4	Y55 A57 E251 T305 G306 S309 Q313	Y55-F311 HydrophobicContact CE2-CD2 4.35Å; Y55-F311 AromaticContact CE2-CE2 3.83Å; Y55-F311 HydrophobicContact CE2-CE2 3.83Å; Y55-F311 HydrophobicContact CE2-CZ 4.48Å; A57-F311 HydrophobicContact CB-CB 4.33Å; A57-F311 HydrophobicContact CB-CD1 3.41Å; A57-F311 VanDerWaalsContact CB-CD1 3.41Å; A57-F311 HydrophobicContact CB-CD2 4.09Å; A57-F311 HydrophobicContact CB-CE1 3.54Å; A57-F311 HydrophobicContact CB-CE2 4.22Å; A57-F311 HydrophobicContact CB-CG 3.69Å; A57-F311 HydrophobicContact CB-CZ 3.95Å; E251-F311 WeakPolarHBondContact OE1-CD1 3.09Å; E251-F311 VanDerWaalsContact OE2-CA 3.22Å; E251-F311 WeakPolarHBondContact OE2-CA 3.29Å; T305-F311 CarbonylContact C-O 3.46Å; T305-F311 PolarHBondContact OG1-O 2.87Å; G306-F311 VanDerWaalsContact CA-O 3.3Å; G306-F311 WeakPolarHBondContact CA-O 3.45Å; G306-F311 PolarHBondContact N-O 3.27Å; G306-F311 VanDerWaalsContact N-O 3.08Å; S309-F311 VanDerWaalsContact C-N 3.34Å; S309-F311 PolarHBondContact OG-N 2.81Å; S309-F311 VanDerWaalsContact OG-N 3.08Å; S309-F311 PolarHBondContact OG-O 3.36Å; F311-Q313 VanDerWaalsContact C-N 3.32Å; F311-Q313 PolarHBondContact O-N 3.35Å
312	E	98.2	Very high	96.5	Very high	38 Å²	38	53.8 Å²	53.8	18%	0.178	26%	0.257	C	S	.	.	S	Bend	trans	-60.8	-44.2	175.4	-66.3	-52.7	148.5	0	0	111.6	E251 W252 K253 Y304 T305 G306	E251-E312 PolarHBondContact OE2-N 2.81Å; W252-E312 VanDerWaalsContact C-OE1 3.31Å; W252-E312 WeakPolarHBondContact CA-OE1 3.28Å; W252-E312 HydrophobicContact CB-CG 4.49Å; W252-E312 WeakPolarHBondContact CB-OE1 3.37Å; W252-E312 PolarHBondContact N-OE1 3.38Å; W252-E312 VanDerWaalsContact N-OE1 3.15Å; K253-E312 PolarHBondContact N-OE1 3.39Å; Y304-E312 WeakPolarHBondContact CD2-O 3.46Å; T305-E312 PolarHBondContact N-O 2.84Å; G306-E312 PolarHBondContact N-O 3.24Å
313	Q	98.6	Very high	96.4	Very high	64 Å²	64	54.5 Å²	54.5	30%	0.299	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.5	-178	-71.1	177.9	-56.4	0	0	110.7	A58 P302 V303 F311	A58-Q313 HydrophobicContact CB-CB 3.66Å; A58-Q313 VanDerWaalsContact CB-O 3.27Å; A58-Q313 WeakPolarHBondContact CB-O 3.28Å; A58-Q313 PolarHBondContact N-O 3.04Å; P302-Q313 HydrophobicContact CB-CB 4.24Å; V303-Q313 VanDerWaalsContact O-CA 3.3Å; V303-Q313 WeakPolarHBondContact O-CA 3.45Å; F311-Q313 VanDerWaalsContact C-N 3.32Å; F311-Q313 PolarHBondContact O-N 3.35Å
314	C	98.6	Very high	96.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.5	170.7	-72.3	0	0	0	0	110.1	M48 Y55 I56 P302 V303 T305 L316	M48-C314 HydrophobicContact CE-CB 3.73Å; Y55-C314 HydrophobicContact CD2-CB 4.44Å; I56-C314 WeakPolarHBondContact O-CA 3.37Å; P302-C314 CarbonylContact C-O 3.55Å; P302-C314 VanDerWaalsContact CA-O 3.26Å; P302-C314 WeakPolarHBondContact CA-O 3.33Å; V303-C314 PolarHBondContact N-O 3.06Å; V303-C314 PolarHBondContact O-N 3.22Å; V303-C314 VanDerWaalsContact O-N 3.08Å; T305-C314 HydrophobicContact CG2-CB 3.98Å; T305-C314 PolarHBondContact OG1-N 3.3Å; C314-L316 HydrophobicContact CB-CD2 3.35Å; C314-L316 WeakPolarHBondContact O-CD2 3.36Å
315	Y	98.7	Very high	96.2	Very high	28 Å²	28	48.4 Å²	48.4	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.7	160.2	-68.4	-93.6	0	0	0	108.2	Y55 I56 A58 V61 I297 F300 P302 F317	Y55-Y315 CarbonylContact C-O 3.58Å; Y55-Y315 WeakPolarHBondContact CA-O 3.22Å; Y55-Y315 WeakPolarHBondContact CB-O 3.44Å; I56-Y315 PolarHBondContact N-O 3.37Å; I56-Y315 PolarHBondContact O-N 3.06Å; A58-Y315 HydrophobicContact CB-CD2 4.14Å; A58-Y315 HydrophobicContact CB-CE2 3.88Å; V61-Y315 HydrophobicContact CB-CE2 4.1Å; V61-Y315 HydrophobicContact CG1-CE2 4.33Å; V61-Y315 HydrophobicContact CG2-CD2 3.99Å; V61-Y315 HydrophobicContact CG2-CE2 3.68Å; I297-Y315 HydrophobicContact CD1-CD1 3.7Å; I297-Y315 HydrophobicContact CD1-CD2 4.23Å; I297-Y315 HydrophobicContact CD1-CE1 3.79Å; I297-Y315 HydrophobicContact CD1-CE2 4.32Å; I297-Y315 HydrophobicContact CD1-CG 3.92Å; I297-Y315 HydrophobicContact CG1-CD1 4.14Å; I297-Y315 HydrophobicContact CG1-CE1 3.68Å; I297-Y315 HydrophobicContact CG1-CE2 4.11Å; F300-Y315 HydrophobicContact CB-CD1 3.79Å; F300-Y315 HydrophobicContact CB-CE1 4.15Å; P302-Y315 HydrophobicContact CB-CD1 4.14Å; P302-Y315 HydrophobicContact CB-CD2 4.1Å; P302-Y315 HydrophobicContact CB-CE1 4.07Å; P302-Y315 HydrophobicContact CB-CE2 4.01Å; P302-Y315 HydrophobicContact CB-CG 4.16Å; P302-Y315 HydrophobicContact CG-CE1 4.09Å; P302-Y315 HydrophobicContact CG-CE2 4.33Å; Y315-F317 HydrophobicContact CG-CZ 4.43Å; Y315-F317 WeakPolarHBondContact O-CE2 3.33Å
316	L	98	Very high	96.1	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.152	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.2	-177.2	-80.2	-83.9	0	0	0	108.2	M48 L51 Y54 C314	M48-L316 HydrophobicContact CE-CD1 3.78Å; M48-L316 HydrophobicContact CE-CD2 3.65Å; M48-L316 HydrophobicContact CE-CG 4.38Å; M48-L316 HydrophobicContact SD-CD1 4.33Å; M48-L316 HydrophobicContact SD-CD2 4.42Å; L51-L316 HydrophobicContact CB-CD1 3.66Å; L51-L316 HydrophobicContact CB-CG 3.85Å; Y54-L316 WeakPolarHBondContact O-CA 2.91Å; C314-L316 HydrophobicContact CB-CD2 3.35Å; C314-L316 WeakPolarHBondContact O-CD2 3.36Å
317	F	97.5	Very high	96.1	Very high	7 Å²	7	56.1 Å²	56.1	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.9	-175.6	-51	-94.2	0	0	0	110.3	M40 G52 K53 Y54 I56 P73 I297 F300 Y315	M40-F317 HydrophobicContact CE-CB 4.09Å; M40-F317 HydrophobicContact CE-CD1 3.29Å; M40-F317 HydrophobicContact CE-CD2 3.65Å; M40-F317 HydrophobicContact CE-CE1 3.45Å; M40-F317 VanDerWaalsContact CE-CE1 3.45Å; M40-F317 HydrophobicContact CE-CE2 3.81Å; M40-F317 HydrophobicContact CE-CG 3.39Å; M40-F317 HydrophobicContact CE-CZ 3.72Å; M40-F317 HydrophobicContact CG-CD2 4.11Å; M40-F317 HydrophobicContact CG-CE2 4.18Å; M40-F317 HydrophobicContact SD-CB 3.91Å; M40-F317 HydrophobicContact SD-CD1 4.2Å; M40-F317 HydrophobicContact SD-CD2 3.63Å; M40-F317 HydrophobicContact SD-CE2 4.17Å; M40-F317 HydrophobicContact SD-CG 3.65Å; G52-F317 CarbonylContact C-O 3.58Å; K53-F317 PolarHBondContact N-O 3Å; Y54-F317 PolarHBondContact N-O 3.23Å; Y54-F317 PolarHBondContact O-N 3.45Å; I56-F317 HydrophobicContact CB-CE2 4.27Å; I56-F317 HydrophobicContact CD1-CE2 4.07Å; I56-F317 HydrophobicContact CD1-CZ 4.23Å; I56-F317 HydrophobicContact CG1-CE2 4.1Å; P73-F317 HydrophobicContact CB-CE1 3.88Å; P73-F317 HydrophobicContact CB-CE2 4.49Å; P73-F317 HydrophobicContact CB-CZ 3.62Å; P73-F317 HydrophobicContact CG-CE1 3.87Å; P73-F317 HydrophobicContact CG-CZ 4.07Å; I297-F317 HydrophobicContact CD1-CZ 4.29Å; F300-F317 HydrophobicContact CB-CE1 4.32Å; F300-F317 AromaticContact CD1-CD1 3.72Å; F300-F317 HydrophobicContact CD1-CD1 3.72Å; F300-F317 AromaticContact CD1-CE1 3.41Å; F300-F317 HydrophobicContact CD1-CE1 3.41Å; F300-F317 VanDerWaalsContact CD1-CE1 3.41Å; F300-F317 HydrophobicContact CD2-CE1 4.28Å; F300-F317 AromaticContact CE1-CD1 3.76Å; F300-F317 HydrophobicContact CE1-CD1 3.76Å; F300-F317 AromaticContact CE1-CE1 3.68Å; F300-F317 HydrophobicContact CE1-CE1 3.68Å; F300-F317 HydrophobicContact CG-CD1 4.48Å; F300-F317 AromaticContact CG-CE1 3.74Å; F300-F317 HydrophobicContact CG-CE1 3.74Å; F300-F317 HydrophobicContact CZ-CE1 4.22Å; Y315-F317 HydrophobicContact CG-CZ 4.43Å; Y315-F317 WeakPolarHBondContact O-CE2 3.33Å
318	R	90	Very high	96.3	Very high	239 Å²	239	51.1 Å²	51.1	90%	0.902	23%	0.233	S	C	*	.			trans	-85.3	0	176	-66	-175	-179.5	178	0.3	111.5	K53 R75	K53-R318 WeakPolarHBondContact CB-OXT 3.43Å; R75-R318 PolarHBondContact NH1-O 2.92Å; R75-R318 PolarHBondContact NH2-O 2.72Å

Retrieved 318 of 318 residues in 125.8 ms (Link to these results)

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