A0A077Z380_TRITR Loading...

Chitinase domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A077Z380, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 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	46.7	Very low	41.4	Very low	230 Å²	230	130 Å²	130	100%	1.133	67%	0.668	S	S	*	*				0	-15.9	0	-115.8	-174.6	-68.5	0	0	114
2	I	42.2	Very low	41.6	Very low	150 Å²	150	123.8 Å²	123.8	77%	0.769	64%	0.64	S	S	*	*	H	α-helix	trans	-82.3	-27.4	-174	-64.7	167.3	0	0	0	113.6
3	E	37.8	Very low	41.3	Very low	178 Å²	178	121.7 Å²	121.7	83%	0.832	63%	0.63	S	S	*	*	H	α-helix	trans	-70.3	-34	-178.9	-79.3	179.4	150.9	0	0	114.8	A5 L6 F7	E3-A5 VanDerWaalsContact C-N 3.34Å; E3-A5 PolarHBondContact O-N 3.35Å; E3-L6 PolarHBondContact O-N 3.15Å; E3-F7 PolarHBondContact O-N 3.5Å
4	R	40.5	Very low	41.3	Very low	226 Å²	226	120.6 Å²	120.6	85%	0.853	63%	0.625	S	S	*	*	H	α-helix	trans	-68.9	-33.3	179.4	-76.8	-171.9	172.5	-170.1	-2.9	112.7	A8	R4-A8 PolarHBondContact O-N 3.27Å
5	A	38.9	Very low	41.4	Very low	59 Å²	59	119.1 Å²	119.1	49%	0.488	61%	0.614	S	S	.	*	H	α-helix	trans	-66.9	-40.7	177.6	0	0	0	0	0	111.3	E3 A8 V9	E3-A5 VanDerWaalsContact C-N 3.34Å; E3-A5 PolarHBondContact O-N 3.35Å; A5-A8 PolarHBondContact O-N 3.02Å; A5-V9 WeakPolarHBondContact O-CB 3.44Å; A5-V9 VanDerWaalsContact O-CG2 3.23Å; A5-V9 WeakPolarHBondContact O-CG2 3.22Å; A5-V9 PolarHBondContact O-N 2.78Å
6	L	42	Very low	41.5	Very low	133 Å²	133	115.4 Å²	115.4	70%	0.696	60%	0.595	S	S	*	*	H	α-helix	trans	-66	-40.4	179.7	-145.3	87.8	0	0	0	112.1	E3 V9 L10	E3-L6 PolarHBondContact O-N 3.15Å; L6-V9 PolarHBondContact O-N 3.13Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 PolarHBondContact O-N 2.96Å
7	F	43.1	Very low	41.6	Very low	149 Å²	149	115.2 Å²	115.2	65%	0.654	60%	0.595	S	S	*	*	H	α-helix	trans	-68.5	-38.8	-179.8	-148.7	-90.3	0	0	0	112.3	E3 C11	E3-F7 PolarHBondContact O-N 3.5Å; F7-C11 PolarHBondContact O-N 3.5Å; F7-C11 PolarHBondContact O-SG 3.15Å; F7-C11 VanDerWaalsContact O-SG 3.33Å
8	A	43.7	Very low	41.9	Very low	57 Å²	57	120.6 Å²	120.6	47%	0.471	61%	0.607	S	S	.	*	H	α-helix	trans	-64.7	-45.2	173.2	0	0	0	0	0	111.6	R4 A5 L10 C11 V12	R4-A8 PolarHBondContact O-N 3.27Å; A5-A8 PolarHBondContact O-N 3.02Å; A8-L10 PolarHBondContact O-N 3.2Å; A8-C11 PolarHBondContact O-N 3.36Å; A8-V12 WeakPolarHBondContact O-CB 3.37Å; A8-V12 VanDerWaalsContact O-CG2 3.26Å; A8-V12 WeakPolarHBondContact O-CG2 3.35Å; A8-V12 PolarHBondContact O-N 2.71Å
9	V	41	Very low	42.5	Very low	87 Å²	87	116.2 Å²	116.2	53%	0.527	59%	0.585	S	S	.	*	H	α-helix	trans	-62.3	-40.7	177	170.8	0	0	0	0	111.8	A5 L6 V12 L13	A5-V9 WeakPolarHBondContact O-CB 3.44Å; A5-V9 VanDerWaalsContact O-CG2 3.23Å; A5-V9 WeakPolarHBondContact O-CG2 3.22Å; A5-V9 PolarHBondContact O-N 2.78Å; L6-V9 PolarHBondContact O-N 3.13Å; V9-V12 PolarHBondContact O-N 3.36Å; V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 WeakPolarHBondContact O-CG 3.25Å; V9-L13 PolarHBondContact O-N 2.96Å
10	L	37.4	Very low	43.3	Very low	104 Å²	104	116.8 Å²	116.8	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-67.6	-39.5	177.5	-162.3	78.7	0	0	0	112.1	L6 A8 L14	L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 PolarHBondContact O-N 2.96Å; A8-L10 PolarHBondContact O-N 3.2Å; L10-L14 HydrophobicContact CG-CD1 4.49Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.36Å
11	C	42	Very low	44.3	Very low	57 Å²	57	113.2 Å²	113.2	39%	0.385	58%	0.578	S	S	.	*	H	α-helix	trans	-66.3	-42.4	174.8	-71.8	0	0	0	0	112.2	F7 A8 L14 E15	F7-C11 PolarHBondContact O-N 3.5Å; F7-C11 PolarHBondContact O-SG 3.15Å; F7-C11 VanDerWaalsContact O-SG 3.33Å; A8-C11 PolarHBondContact O-N 3.36Å; C11-L14 PolarHBondContact O-N 3.18Å; C11-E15 PolarHBondContact O-N 3.03Å
12	V	43.8	Very low	46	Very low	55 Å²	55	107.5 Å²	107.5	33%	0.333	55%	0.552	S	S	.	*	H	α-helix	trans	-63.9	-41.2	177.2	170.7	0	0	0	0	111.3	A8 V9 E15 L16	A8-V12 WeakPolarHBondContact O-CB 3.37Å; A8-V12 VanDerWaalsContact O-CG2 3.26Å; A8-V12 WeakPolarHBondContact O-CG2 3.35Å; A8-V12 PolarHBondContact O-N 2.71Å; V9-V12 PolarHBondContact O-N 3.36Å; V12-E15 PolarHBondContact O-N 3.07Å; V12-L16 HydrophobicContact CG1-CD1 3.94Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 3.48Å
13	L	37.7	Very low	48.1	Very low	97 Å²	97	102.3 Å²	102.3	51%	0.508	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-40.8	173.5	-80	164.6	0	0	0	112.1	V9 L16 D17	V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 WeakPolarHBondContact O-CG 3.25Å; V9-L13 PolarHBondContact O-N 2.96Å; L13-L16 PolarHBondContact O-N 3.37Å; L13-D17 WeakPolarHBondContact O-CB 3.44Å; L13-D17 PolarHBondContact O-N 2.94Å
14	L	41	Very low	50.8	Low	106 Å²	106	95.7 Å²	95.7	56%	0.555	50%	0.501	S	S	*	.	H	α-helix	trans	-68.4	-32.9	176.3	-77.3	165.9	0	0	0	113.2	L10 C11 R18	L10-L14 HydrophobicContact CG-CD1 4.49Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.36Å; C11-L14 PolarHBondContact O-N 3.18Å; L14-R18 WeakPolarHBondContact O-CB 3.27Å; L14-R18 WeakPolarHBondContact O-CG 3.41Å; L14-R18 PolarHBondContact O-N 3.45Å
15	E	43.9	Very low	53.4	Low	99 Å²	99	86.1 Å²	86.1	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-72.3	-37.8	172.7	-78.9	-171.7	163.8	0	0	112.1	C11 V12 R18 L19 K301	C11-E15 PolarHBondContact O-N 3.03Å; V12-E15 PolarHBondContact O-N 3.07Å; E15-R18 WeakPolarHBondContact O-CB 3.29Å; E15-R18 PolarHBondContact O-N 3.07Å; E15-L19 WeakPolarHBondContact O-CG 3.39Å; E15-L19 PolarHBondContact O-N 2.87Å; E15-K301 IonicContact OE2-NZ 3.42Å
16	L	42.8	Very low	56.2	Low	60 Å²	60	91 Å²	91	31%	0.314	47%	0.471	S	S	.	.	H	α-helix	trans	-68.3	-43.4	175.4	-77.9	165.2	0	0	0	112.5	V12 L13 R18 L19 Q20 E298	V12-L16 HydrophobicContact CG1-CD1 3.94Å; V12-L16 WeakPolarHBondContact O-CB 3.44Å; V12-L16 WeakPolarHBondContact O-CG 3.41Å; V12-L16 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 3.37Å; L16-R18 PolarHBondContact O-N 3.36Å; L16-L19 PolarHBondContact O-N 3.14Å; L16-Q20 PolarHBondContact O-N 2.96Å; L16-E298 HydrophobicContact CD2-CG 4.24Å; L16-E298 HydrophobicContact CG-CG 4.44Å
17	D	42.1	Very low	58.7	Low	111 Å²	111	85.6 Å²	85.6	59%	0.594	44%	0.444	S	S	*	.	H	α-helix	trans	-62	-29	172.6	-92.1	-4.5	0	0	0	111.6	L13 L19	L13-D17 WeakPolarHBondContact O-CB 3.44Å; L13-D17 PolarHBondContact O-N 2.94Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 3.15Å
18	R	47.5	Very low	61.3	Low	213 Å²	213	79 Å²	79	80%	0.804	42%	0.416	S	S	*	.	H	α-helix	trans	-71.9	-21.1	173.5	-89.5	-179.9	168.2	-172.8	-1	113.9	L14 E15 L16	L14-R18 WeakPolarHBondContact O-CB 3.27Å; L14-R18 WeakPolarHBondContact O-CG 3.41Å; L14-R18 PolarHBondContact O-N 3.45Å; E15-R18 WeakPolarHBondContact O-CB 3.29Å; E15-R18 PolarHBondContact O-N 3.07Å; L16-R18 PolarHBondContact O-N 3.36Å
19	L	54.2	Low	63.8	Low	37 Å²	37	78.1 Å²	78.1	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-89.2	-13.9	179.7	-69.4	175.4	0	0	0	113.6	E15 L16 D17 G21 L322	E15-L19 WeakPolarHBondContact O-CG 3.39Å; E15-L19 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 3.14Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 3.15Å; L19-G21 PolarHBondContact O-N 3.34Å; L19-L322 HydrophobicContact CD1-CD2 4.19Å; L19-L322 HydrophobicContact CD2-CD2 3.71Å
20	Q	57.3	Low	66.5	Low	127 Å²	127	80 Å²	80	59%	0.593	41%	0.406	S	S	*	.			trans	-71.4	42.4	165.8	-68.8	-170.2	-7.7	0	0	112.1	L16	L16-Q20 PolarHBondContact O-N 2.96Å
21	G	65.1	Low	69.3	Low	42 Å²	42	77.4 Å²	77.4	43%	0.433	39%	0.393	S	S	.	.			trans	-67	163.3	170.1	0	0	0	0	0	110.9	L19 T23	L19-G21 PolarHBondContact O-N 3.34Å; G21-T23 VanDerWaalsContact O-CG2 3.24Å; G21-T23 WeakPolarHBondContact O-CG2 3.47Å; G21-T23 PolarHBondContact O-N 2.91Å
22	D	81.6	Confident	71.9	Confident	110 Å²	110	76 Å²	76	59%	0.588	38%	0.38	S	S	*	.			trans	-51.5	112.3	174.1	179.3	-0.4	0	0	0	110.3	S24 S27	D22-S24 WeakPolarHBondContact OD1-CB 3.36Å; D22-S24 PolarHBondContact OD1-N 3.42Å; D22-S24 PolarHBondContact OD1-OG 3.06Å; D22-S24 PolarHBondContact OD2-OG 2.94Å; D22-S27 WeakPolarHBondContact O-CB 3.47Å; D22-S27 PolarHBondContact O-OG 2.9Å
23	T	86.1	Confident	74.4	Confident	41 Å²	41	77.4 Å²	77.4	25%	0.252	39%	0.386	S	S	.	.			trans	-97.8	14.6	179.7	60	0	0	0	0	112.9	G21 I266 H275	G21-T23 VanDerWaalsContact O-CG2 3.24Å; G21-T23 WeakPolarHBondContact O-CG2 3.47Å; G21-T23 PolarHBondContact O-N 2.91Å; T23-I266 WeakPolarHBondContact O-CD1 3.28Å; T23-H275 PolarHBondContact OG1-NE2 3.2Å
24	S	94.2	Very high	77.1	Confident	39 Å²	39	77.4 Å²	77.4	27%	0.273	38%	0.382	S	S	.	.	S	Bend	trans	-59.3	152.5	172.8	68.5	0	0	0	0	111.6	D22 R26 S27 I28	D22-S24 WeakPolarHBondContact OD1-CB 3.36Å; D22-S24 PolarHBondContact OD1-N 3.42Å; D22-S24 PolarHBondContact OD1-OG 3.06Å; D22-S24 PolarHBondContact OD2-OG 2.94Å; S24-R26 PolarHBondContact O-N 2.94Å; S24-R26 VanDerWaalsContact O-N 3.14Å; S24-S27 PolarHBondContact O-N 2.94Å; S24-S27 VanDerWaalsContact O-N 3.07Å; S24-S27 PolarHBondContact OG-N 2.87Å; S24-I28 PolarHBondContact O-N 3.4Å
25	Y	96	Very high	79.6	Confident	26 Å²	26	74 Å²	74	10%	0.102	37%	0.365	C	S	.	.	H	α-helix	trans	-56.8	-33.3	177.7	75.4	-88.1	0	0	0	111.9	I28 L29 E263 P264	Y25-I28 PolarHBondContact O-N 3.33Å; Y25-L29 HydrophobicContact CD2-CD1 4Å; Y25-L29 WeakPolarHBondContact O-CB 3.44Å; Y25-L29 WeakPolarHBondContact O-CG 3.32Å; Y25-L29 PolarHBondContact O-N 2.92Å; Y25-E263 HydrophobicContact CE1-CB 4.09Å; Y25-E263 HydrophobicContact CE2-CB 3.86Å; Y25-E263 HydrophobicContact CE2-CG 3.74Å; Y25-E263 PolarHBondContact OH-OE2 3.12Å; Y25-P264 WeakPolarHBondContact CD1-O 3.27Å
26	R	97	Very high	81.8	Confident	161 Å²	161	78.1 Å²	78.1	61%	0.608	38%	0.382	S	S	*	.	H	α-helix	trans	-65	-47.6	176.1	-63.1	-172.9	-172.3	124.3	4.1	111.8	S24 I28 L29 E30	S24-R26 PolarHBondContact O-N 2.94Å; S24-R26 VanDerWaalsContact O-N 3.14Å; R26-I28 VanDerWaalsContact C-N 3.33Å; R26-I28 PolarHBondContact O-N 3.49Å; R26-L29 PolarHBondContact O-N 3.47Å; R26-E30 WeakPolarHBondContact O-CB 3.3Å; R26-E30 PolarHBondContact O-N 3.41Å
27	S	95.8	Very high	84.1	Confident	20 Å²	20	77.5 Å²	77.5	14%	0.14	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-41.4	177.2	173.4	0	0	0	0	111.8	D22 S24 E30 N31	D22-S27 WeakPolarHBondContact O-CB 3.47Å; D22-S27 PolarHBondContact O-OG 2.9Å; S24-S27 PolarHBondContact O-N 2.94Å; S24-S27 VanDerWaalsContact O-N 3.07Å; S24-S27 PolarHBondContact OG-N 2.87Å; S27-E30 PolarHBondContact O-N 3.28Å; S27-N31 WeakPolarHBondContact O-CB 3.45Å; S27-N31 PolarHBondContact O-N 3.13Å; S27-N31 PolarHBondContact O-ND2 3.37Å
28	I	96.8	Very high	86.4	Confident	10 Å²	10	75.1 Å²	75.1	5%	0.051	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-50.3	174.4	-63.6	172.9	0	0	0	110.2	S24 Y25 R26 E30 N31 H32 Y255 L256 L259 I266 L316	S24-I28 PolarHBondContact O-N 3.4Å; Y25-I28 PolarHBondContact O-N 3.33Å; R26-I28 VanDerWaalsContact C-N 3.33Å; R26-I28 PolarHBondContact O-N 3.49Å; I28-E30 PolarHBondContact O-N 3.07Å; I28-N31 PolarHBondContact O-N 2.83Å; I28-H32 HydrophobicContact CG2-CB 4.47Å; I28-H32 VanDerWaalsContact O-CB 3.24Å; I28-H32 WeakPolarHBondContact O-CB 3.33Å; I28-H32 PolarHBondContact O-N 3.04Å; I28-H32 PolarHBondContact O-ND1 2.89Å; I28-Y255 HydrophobicContact CD1-CE1 4.42Å; I28-Y255 HydrophobicContact CG2-CE1 4.48Å; I28-L256 HydrophobicContact CG2-CD2 4.26Å; I28-L259 HydrophobicContact CB-CD1 3.92Å; I28-L259 HydrophobicContact CD1-CD1 4.19Å; I28-L259 HydrophobicContact CG2-CD1 3.66Å; I28-I266 HydrophobicContact CD1-CD1 3.61Å; I28-L316 HydrophobicContact CG2-CD1 3.96Å
29	L	97.6	Very high	88.5	Confident	39 Å²	39	67.6 Å²	67.6	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-34.5	179.1	-71.8	172.7	0	0	0	112.8	Y25 R26 H32 L256 L259 R260	Y25-L29 HydrophobicContact CD2-CD1 4Å; Y25-L29 WeakPolarHBondContact O-CB 3.44Å; Y25-L29 WeakPolarHBondContact O-CG 3.32Å; Y25-L29 PolarHBondContact O-N 2.92Å; R26-L29 PolarHBondContact O-N 3.47Å; L29-H32 PolarHBondContact O-CE1 2.99Å; L29-H32 PolarHBondContact O-ND1 3.43Å; L29-L256 HydrophobicContact CD2-CB 4.35Å; L29-L256 HydrophobicContact CD2-CD2 3.96Å; L29-L259 HydrophobicContact CD1-CB 4.23Å; L29-L259 HydrophobicContact CD2-CB 4.1Å; L29-L259 HydrophobicContact CG-CB 4.16Å; L29-R260 HydrophobicContact CD1-CG 3.8Å; L29-R260 HydrophobicContact CD2-CG 3.6Å; L29-R260 HydrophobicContact CG-CG 4.37Å
30	E	96.9	Very high	90.4	Very high	127 Å²	127	70.7 Å²	70.7	59%	0.593	38%	0.375	S	S	*	.	H	α-helix	trans	-77.2	-26.4	179.2	-171.5	-178.5	172.7	0	0	113.8	R26 S27 I28 K34	R26-E30 WeakPolarHBondContact O-CB 3.3Å; R26-E30 PolarHBondContact O-N 3.41Å; S27-E30 PolarHBondContact O-N 3.28Å; I28-E30 PolarHBondContact O-N 3.07Å; E30-K34 WeakPolarHBondContact O-CE 3.41Å; E30-K34 PolarHBondContact O-NZ 3.3Å; E30-K34 VanDerWaalsContact O-NZ 3.07Å
31	N	96	Very high	92.2	Very high	48 Å²	48	68.1 Å²	68.1	26%	0.257	36%	0.362	S	S	.	.	H	α-helix	trans	-123.1	-9.5	-166.5	-62	-66.4	0	0	0	115.7	S27 I28 D33 K34 Y318	S27-N31 WeakPolarHBondContact O-CB 3.45Å; S27-N31 PolarHBondContact O-N 3.13Å; S27-N31 PolarHBondContact O-ND2 3.37Å; I28-N31 PolarHBondContact O-N 2.83Å; N31-D33 PolarHBondContact O-N 3.16Å; N31-K34 HydrophobicContact CB-CD 4.43Å; N31-K34 PolarHBondContact O-N 3.16Å; N31-K34 WeakPolarHBondContact OD1-CD 3.46Å; N31-K34 PolarHBondContact OD1-NZ 3.09Å; N31-Y318 HydrophobicContact CB-CD2 4.41Å; N31-Y318 VanDerWaalsContact O-CD2 3.31Å; N31-Y318 WeakPolarHBondContact O-CD2 3.04Å
32	H	96.1	Very high	93.6	Very high	27 Å²	27	70.1 Å²	70.1	13%	0.125	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.2	-173.1	66	-77.9	0	0	0	115.5	I28 L29 L256 L316 D317 Y318	I28-H32 HydrophobicContact CG2-CB 4.47Å; I28-H32 VanDerWaalsContact O-CB 3.24Å; I28-H32 WeakPolarHBondContact O-CB 3.33Å; I28-H32 PolarHBondContact O-N 3.04Å; I28-H32 PolarHBondContact O-ND1 2.89Å; L29-H32 PolarHBondContact O-CE1 2.99Å; L29-H32 PolarHBondContact O-ND1 3.43Å; H32-L256 HydrophobicContact CB-CD2 4.02Å; H32-L256 WeakPolarHBondContact CD2-CD1 3.36Å; H32-L256 WeakPolarHBondContact NE2-CD1 3.34Å; H32-L316 HydrophobicContact CB-CB 4.2Å; H32-L316 HydrophobicContact CB-CD1 3.92Å; H32-L316 HydrophobicContact CB-CD2 4.13Å; H32-L316 HydrophobicContact CB-CG 4.29Å; H32-D317 PolarHBondContact O-N 2.83Å; H32-Y318 HydrophobicContact CB-CE2 4.48Å; H32-Y318 PolarHBondContact O-N 2.8Å
33	D	96	Very high	94.3	Very high	86 Å²	86	65 Å²	65	46%	0.46	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.7	-178.2	62	-12.8	0	0	0	113.6	N31 V35	N31-D33 PolarHBondContact O-N 3.16Å; D33-V35 PolarHBondContact O-N 3.4Å
34	K	95.2	Very high	94.7	Very high	97 Å²	97	67.5 Å²	67.5	42%	0.422	35%	0.352	S	S	.	.			trans	-85.1	103.8	-173.4	-62.6	-178.4	-171.7	160.4	0	112.2	E30 N31 N321	E30-K34 WeakPolarHBondContact O-CE 3.41Å; E30-K34 PolarHBondContact O-NZ 3.3Å; E30-K34 VanDerWaalsContact O-NZ 3.07Å; N31-K34 HydrophobicContact CB-CD 4.43Å; N31-K34 PolarHBondContact O-N 3.16Å; N31-K34 WeakPolarHBondContact OD1-CD 3.46Å; N31-K34 PolarHBondContact OD1-NZ 3.09Å; K34-N321 PolarHBondContact O-ND2 2.98Å
35	V	93.7	Very high	94.8	Very high	34 Å²	34	67.6 Å²	67.6	21%	0.206	35%	0.349	C	S	.	.			trans	-103.9	122.6	172	-174.1	0	0	0	0	110.5	D33 P38 Y65 D317 N321	D33-V35 PolarHBondContact O-N 3.4Å; V35-P38 HydrophobicContact CG1-CB 4.1Å; V35-Y65 HydrophobicContact CB-CE1 4.33Å; V35-Y65 HydrophobicContact CG1-CE1 4.03Å; V35-Y65 HydrophobicContact CG2-CE1 4.18Å; V35-Y65 WeakPolarHBondContact CG2-OH 3.47Å; V35-D317 HydrophobicContact CG2-CB 3.71Å; V35-D317 VanDerWaalsContact CG2-O 3.31Å; V35-D317 WeakPolarHBondContact CG2-O 3.4Å; V35-N321 WeakPolarHBondContact CA-OD1 3.44Å; V35-N321 WeakPolarHBondContact CG1-OD1 3.33Å
36	K	90.7	Very high	94.9	Very high	186 Å²	186	68.2 Å²	68.2	81%	0.809	36%	0.357	S	S	*	.	S	Bend	trans	-81	-46.3	-174.5	-67.2	-179.8	-179	174.6	0	113	N321	K36-N321 PolarHBondContact N-OD1 3.13Å
37	S	90.8	Very high	94.9	Very high	47 Å²	47	60.6 Å²	60.6	33%	0.329	33%	0.328	S	S	.	.			trans	-132.2	80.2	-177.1	-60.8	0	0	0	0	109.9	G39 E40 K68	S37-G39 PolarHBondContact O-N 2.8Å; S37-E40 WeakPolarHBondContact CB-OE2 3.33Å; S37-E40 PolarHBondContact O-N 3.06Å; S37-E40 PolarHBondContact OG-OE2 2.9Å; S37-K68 WeakPolarHBondContact O-CE 3.3Å; S37-K68 PolarHBondContact O-NZ 3.18Å; S37-K68 VanDerWaalsContact O-NZ 3.07Å
38	P	90.1	Very high	95.1	Very high	60 Å²	60	59.8 Å²	59.8	39%	0.39	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.6	-175	25.4	-34.5	0	0	0	113	V35 Y65 K68	V35-P38 HydrophobicContact CG1-CB 4.1Å; P38-Y65 HydrophobicContact CB-CD1 3.8Å; P38-Y65 HydrophobicContact CB-CE1 3.76Å; P38-K68 WeakPolarHBondContact O-CE 3.06Å
39	G	91.9	Very high	95.2	Very high	55 Å²	55	59.3 Å²	59.3	57%	0.567	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.8	-178.2	0	0	0	0	0	115.6	S37 S67	S37-G39 PolarHBondContact O-N 2.8Å; G39-S67 VanDerWaalsContact CA-OG 3.28Å; G39-S67 WeakPolarHBondContact CA-OG 3.37Å; G39-S67 WeakPolarHBondContact O-CB 3.43Å; G39-S67 PolarHBondContact O-OG 3.42Å
40	E	93.4	Very high	95.2	Very high	103 Å²	103	58 Å²	58	48%	0.481	31%	0.312	S	S	.	.			trans	-96.6	131.5	-173.2	-173.2	177.8	-165.4	0	0	111	S37 L42 K68	S37-E40 WeakPolarHBondContact CB-OE2 3.33Å; S37-E40 PolarHBondContact O-N 3.06Å; S37-E40 PolarHBondContact OG-OE2 2.9Å; E40-L42 HydrophobicContact CG-CD2 3.96Å; E40-K68 PolarHBondContact O-NZ 3.4Å
41	K	95.1	Very high	95.3	Very high	72 Å²	72	51.9 Å²	51.9	31%	0.313	28%	0.284	S	S	.	.			trans	-96.4	116.5	173.6	-171.1	-178.6	-177.2	-147.7	0	109.7	F43 N45 K68 L323	K41-F43 WeakPolarHBondContact CE-O 3.45Å; K41-F43 PolarHBondContact NZ-O 3.31Å; K41-N45 PolarHBondContact NZ-O 2.95Å; K41-K68 VanDerWaalsContact CE-O 3.24Å; K41-K68 WeakPolarHBondContact CE-O 3.25Å; K41-L323 WeakPolarHBondContact CG-OXT 3.4Å
42	L	94.7	Very high	95.4	Very high	85 Å²	85	49.6 Å²	49.6	45%	0.445	27%	0.272	S	S	.	.			trans	-93.7	-29.1	-178	-61.2	179.3	0	0	0	112.9	E40 N321 L323	E40-L42 HydrophobicContact CG-CD2 3.96Å; L42-N321 VanDerWaalsContact CD1-O 3.29Å; L42-N321 WeakPolarHBondContact CD1-O 3.48Å; L42-L323 VanDerWaalsContact N-C 3.26Å; L42-L323 PolarHBondContact N-O 2.73Å; L42-L323 PolarHBondContact N-OXT 3.47Å
43	F	96.2	Very high	95.5	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.28	C	S	.	.			trans	-83.5	118.9	178.2	-175.2	-107.5	0	0	0	110.3	K41 N45 T47 V297 A300 K301 V305 L307 L323	K41-F43 WeakPolarHBondContact CE-O 3.45Å; K41-F43 PolarHBondContact NZ-O 3.31Å; F43-N45 HydrophobicContact CD1-CB 4.25Å; F43-N45 WeakPolarHBondContact CD1-O 3.46Å; F43-N45 HydrophobicContact CE1-CB 3.52Å; F43-N45 HydrophobicContact CZ-CB 3.78Å; F43-N45 PolarHBondContact O-N 3.03Å; F43-T47 WeakPolarHBondContact CD1-OG1 3.45Å; F43-V297 HydrophobicContact CD2-CG1 3.72Å; F43-V297 HydrophobicContact CE2-CG1 4.24Å; F43-A300 HydrophobicContact CE2-CB 3.9Å; F43-A300 HydrophobicContact CZ-CB 3.76Å; F43-K301 HydrophobicContact CD2-CG 3.88Å; F43-K301 HydrophobicContact CE2-CG 3.68Å; F43-V305 WeakPolarHBondContact CZ-O 3.38Å; F43-L307 HydrophobicContact CD1-CD1 3.9Å; F43-L307 HydrophobicContact CD1-CG 4.23Å; F43-L307 HydrophobicContact CD2-CD1 4.22Å; F43-L307 HydrophobicContact CE1-CB 4.26Å; F43-L307 HydrophobicContact CE1-CD1 3.75Å; F43-L307 HydrophobicContact CE1-CG 3.6Å; F43-L307 HydrophobicContact CE2-CD1 4.11Å; F43-L307 HydrophobicContact CE2-CG 4.32Å; F43-L307 HydrophobicContact CG-CD1 4.1Å; F43-L307 HydrophobicContact CZ-CD1 3.87Å; F43-L307 HydrophobicContact CZ-CD2 4.44Å; F43-L307 HydrophobicContact CZ-CG 3.66Å; F43-L323 WeakPolarHBondContact CB-OXT 3.1Å; F43-L323 PolarHBondContact N-OXT 3.14Å
44	P	95	Very high	95.4	Very high	95 Å²	95	54.3 Å²	54.3	62%	0.617	29%	0.288	S	S	*	.			trans	-73.7	-29.2	-168.8	27.7	-35	0	0	0	113.3
45	N	96	Very high	95.4	Very high	40 Å²	40	51 Å²	51	21%	0.214	28%	0.275	C	S	.	.	S	Bend	trans	-84.8	171.6	-172.5	-61	-12.2	0	0	0	111.3	K41 F43 T47 V305	K41-N45 PolarHBondContact NZ-O 2.95Å; F43-N45 HydrophobicContact CD1-CB 4.25Å; F43-N45 WeakPolarHBondContact CD1-O 3.46Å; F43-N45 HydrophobicContact CE1-CB 3.52Å; F43-N45 HydrophobicContact CZ-CB 3.78Å; F43-N45 PolarHBondContact O-N 3.03Å; N45-T47 PolarHBondContact O-N 3.14Å; N45-V305 WeakPolarHBondContact CB-O 3.1Å; N45-V305 PolarHBondContact ND2-O 2.81Å
46	P	97.5	Very high	95.5	Very high	40 Å²	40	51.4 Å²	51.4	26%	0.26	29%	0.286	S	S	.	.			trans	-55.8	132.7	174.9	-27.6	37	0	0	0	112.1	S70 F185 L230 G306 L307	P46-S70 WeakPolarHBondContact CA-OG 3.42Å; P46-F185 HydrophobicContact CB-CE1 4.2Å; P46-F185 HydrophobicContact CB-CZ 4.09Å; P46-F185 HydrophobicContact CG-CE1 3.97Å; P46-F185 HydrophobicContact CG-CZ 3.96Å; P46-L230 HydrophobicContact CB-CD2 4.01Å; P46-G306 CarbonylContact O-C 3.17Å; P46-G306 WeakPolarHBondContact O-CA 3.49Å; P46-L307 PolarHBondContact O-N 3.1Å
47	T	98.4	Very high	95.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117.4	172.1	-48.2	0	0	0	0	107.6	F43 N45 F69 S70 H71 L307 I309	F43-T47 WeakPolarHBondContact CD1-OG1 3.45Å; N45-T47 PolarHBondContact O-N 3.14Å; T47-F69 HydrophobicContact CG2-CD1 3.77Å; T47-F69 HydrophobicContact CG2-CE1 4.26Å; T47-S70 PolarHBondContact N-OG 3.02Å; T47-S70 PolarHBondContact O-N 3.27Å; T47-S70 PolarHBondContact O-OG 3.2Å; T47-H71 PolarHBondContact O-N 3.28Å; T47-H71 VanDerWaalsContact O-N 3.09Å; T47-L307 WeakPolarHBondContact CA-O 3.49Å; T47-L307 HydrophobicContact CG2-CB 4.23Å; T47-I309 HydrophobicContact CG2-CD1 3.9Å
48	L	98.8	Very high	96.2	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.1	172.4	-177.1	147.2	0	0	0	109.4	F50 H71 V112 V155 I187 L230 L307 A308 I309	L48-F50 HydrophobicContact CD2-CD1 4.41Å; L48-F50 HydrophobicContact CD2-CD2 3.81Å; L48-F50 HydrophobicContact CD2-CE1 4.16Å; L48-F50 HydrophobicContact CD2-CE2 3.53Å; L48-F50 HydrophobicContact CD2-CG 4.27Å; L48-F50 HydrophobicContact CD2-CZ 3.73Å; L48-H71 WeakPolarHBondContact CA-O 3.4Å; L48-H71 HydrophobicContact CB-CB 3.97Å; L48-H71 HydrophobicContact CD1-CB 3.9Å; L48-H71 HydrophobicContact CG-CB 3.89Å; L48-V112 HydrophobicContact CD1-CG2 4Å; L48-V155 HydrophobicContact CD1-CG2 3.83Å; L48-I187 HydrophobicContact CD1-CD1 4.02Å; L48-I187 HydrophobicContact CD2-CD1 4.26Å; L48-L230 HydrophobicContact CB-CD1 3.92Å; L48-L230 HydrophobicContact CD1-CD1 4.25Å; L48-L307 PolarHBondContact N-O 3.46Å; L48-A308 HydrophobicContact CB-CB 4.46Å; L48-A308 HydrophobicContact CD2-CB 4.3Å; L48-A308 CarbonylContact O-C 3.53Å; L48-A308 VanDerWaalsContact O-CA 3.31Å; L48-A308 WeakPolarHBondContact O-CA 3.36Å; L48-I309 PolarHBondContact O-N 2.96Å
49	A	98.8	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.6	178.7	0	0	0	0	0	110.9	F69 H71 I72 S73 I312	A49-F69 HydrophobicContact CB-CD1 3.53Å; A49-F69 HydrophobicContact CB-CD2 4.28Å; A49-F69 HydrophobicContact CB-CE1 3.67Å; A49-F69 HydrophobicContact CB-CE2 4.39Å; A49-F69 HydrophobicContact CB-CG 3.85Å; A49-F69 HydrophobicContact CB-CZ 4.11Å; A49-H71 PolarHBondContact N-O 2.9Å; A49-I72 HydrophobicContact CB-CD1 3.85Å; A49-I72 WeakPolarHBondContact O-CA 3.26Å; A49-S73 PolarHBondContact O-N 3.13Å; A49-I312 HydrophobicContact CB-CD1 3.88Å; A49-I312 HydrophobicContact CB-CG2 3.4Å; A49-I312 VanDerWaalsContact CB-CG2 3.4Å
50	F	98.9	Very high	96.9	Very high	10 Å²	10	44 Å²	44	4%	0.044	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.1	171.9	-70.1	-78.9	0	0	0	110.7	L48 S73 V75 R114 V155 I187 A308 I309 W310 E311 I312	L48-F50 HydrophobicContact CD2-CD1 4.41Å; L48-F50 HydrophobicContact CD2-CD2 3.81Å; L48-F50 HydrophobicContact CD2-CE1 4.16Å; L48-F50 HydrophobicContact CD2-CE2 3.53Å; L48-F50 HydrophobicContact CD2-CG 4.27Å; L48-F50 HydrophobicContact CD2-CZ 3.73Å; F50-S73 WeakPolarHBondContact CA-O 2.97Å; F50-V75 HydrophobicContact CB-CG2 4.27Å; F50-V75 HydrophobicContact CD1-CG2 3.88Å; F50-R114 HydrophobicContact CE1-CB 4.32Å; F50-R114 HydrophobicContact CE1-CG 4.26Å; F50-V155 HydrophobicContact CE1-CG1 4.13Å; F50-V155 HydrophobicContact CZ-CG1 4.17Å; F50-I187 HydrophobicContact CZ-CD1 4.01Å; F50-A308 HydrophobicContact CE2-CB 4.45Å; F50-I309 WeakPolarHBondContact CD2-O 3.46Å; F50-I309 PolarHBondContact N-O 2.89Å; F50-I309 VanDerWaalsContact N-O 3.07Å; F50-W310 HydrophobicContact CB-CE3 3.81Å; F50-W310 HydrophobicContact CB-CZ3 4.1Å; F50-W310 HydrophobicContact CD1-CE3 4Å; F50-W310 AromaticContact CD1-CZ3 3.79Å; F50-W310 HydrophobicContact CD1-CZ3 3.79Å; F50-W310 HydrophobicContact CD2-CB 4.47Å; F50-W310 AromaticContact CD2-CE3 3.52Å; F50-W310 HydrophobicContact CD2-CE3 3.52Å; F50-W310 HydrophobicContact CD2-CZ3 4.17Å; F50-W310 HydrophobicContact CE1-CE3 4.46Å; F50-W310 HydrophobicContact CE1-CZ3 4.21Å; F50-W310 HydrophobicContact CE2-CE3 4.02Å; F50-W310 AromaticContact CG-CE3 3.49Å; F50-W310 HydrophobicContact CG-CE3 3.49Å; F50-W310 VanDerWaalsContact CG-CE3 3.49Å; F50-W310 AromaticContact CG-CZ3 3.75Å; F50-W310 HydrophobicContact CG-CZ3 3.75Å; F50-W310 HydrophobicContact CZ-CE3 4.46Å; F50-E311 HydrophobicContact CB-CB 3.92Å; F50-I312 WeakPolarHBondContact O-CG1 3.25Å; F50-I312 PolarHBondContact O-N 3.02Å
51	V	98.8	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.6	175.9	178.1	0	0	0	0	108.6	Y59 A62 I72 S73 V75 W98 I312	V51-Y59 HydrophobicContact CG1-CD1 4.5Å; V51-Y59 HydrophobicContact CG1-CD2 3.56Å; V51-Y59 HydrophobicContact CG1-CE2 3.64Å; V51-Y59 HydrophobicContact CG1-CG 4.01Å; V51-A62 HydrophobicContact CG2-CB 4.28Å; V51-I72 HydrophobicContact CG2-CG2 3.95Å; V51-S73 PolarHBondContact N-O 3.33Å; V51-S73 VanDerWaalsContact N-O 3.12Å; V51-V75 WeakPolarHBondContact O-CG2 3.11Å; V51-V75 PolarHBondContact O-N 3.22Å; V51-W98 HydrophobicContact CB-CH2 4.31Å; V51-W98 HydrophobicContact CB-CZ2 4.36Å; V51-W98 HydrophobicContact CG1-CH2 4.25Å; V51-W98 HydrophobicContact CG1-CZ2 4Å; V51-W98 HydrophobicContact CG2-CH2 4.31Å; V51-W98 HydrophobicContact CG2-CZ2 4.12Å; V51-I312 HydrophobicContact CG2-CD1 3.48Å; V51-I312 VanDerWaalsContact CG2-CD1 3.48Å; V51-I312 HydrophobicContact CG2-CG1 3.92Å
52	T	98.2	Very high	97.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.			trans	-116.4	143.4	-175.6	64.3	0	0	0	0	112.8	W54 N55 Y59 V75 W310 E311	T52-W54 VanDerWaalsContact CB-CE2 3.4Å; T52-W54 HydrophobicContact CG2-CH2 3.99Å; T52-W54 HydrophobicContact CG2-CZ2 3.4Å; T52-W54 VanDerWaalsContact CG2-CZ2 3.4Å; T52-W54 PolarHBondContact O-N 3.48Å; T52-W54 PolarHBondContact OG1-NE1 3.14Å; T52-N55 PolarHBondContact O-N 3.16Å; T52-N55 PolarHBondContact OG1-ND2 2.94Å; T52-Y59 WeakPolarHBondContact O-CE2 3.41Å; T52-V75 HydrophobicContact CG2-CB 3.92Å; T52-V75 HydrophobicContact CG2-CG1 4.42Å; T52-V75 HydrophobicContact CG2-CG2 3.83Å; T52-W310 HydrophobicContact CG2-CZ2 4.49Å; T52-E311 HydrophobicContact CG2-CB 4.47Å; T52-E311 HydrophobicContact CG2-CG 3.89Å
53	P	96.5	Very high	97.3	Very high	46 Å²	46	34.7 Å²	34.7	30%	0.299	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.5	176.7	-27.9	35.9	0	0	0	114.6	V75	P53-V75 WeakPolarHBondContact CD-O 3.47Å
54	W	95.3	Very high	97.3	Very high	166 Å²	166	39.9 Å²	39.9	63%	0.629	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.3	-177.5	53.5	85.5	0	0	0	114.4	T52 V75	T52-W54 VanDerWaalsContact CB-CE2 3.4Å; T52-W54 HydrophobicContact CG2-CH2 3.99Å; T52-W54 HydrophobicContact CG2-CZ2 3.4Å; T52-W54 VanDerWaalsContact CG2-CZ2 3.4Å; T52-W54 PolarHBondContact O-N 3.48Å; T52-W54 PolarHBondContact OG1-NE1 3.14Å; W54-V75 HydrophobicContact CH2-CB 4.49Å; W54-V75 HydrophobicContact CH2-CG1 3.83Å
55	N	95.2	Very high	97.4	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.139	18%	0.183	C	C	.	.			trans	-122.5	75.2	171.9	-66.4	-37.9	0	0	0	109.7	T52 R57 G58 E311 Q314	T52-N55 PolarHBondContact O-N 3.16Å; T52-N55 PolarHBondContact OG1-ND2 2.94Å; N55-R57 PolarHBondContact O-N 2.86Å; N55-G58 PolarHBondContact O-N 3.27Å; N55-E311 WeakPolarHBondContact CB-OE1 3.41Å; N55-E311 PolarHBondContact ND2-OE1 3.02Å; N55-Q314 PolarHBondContact ND2-NE2 2.77Å
56	G	94.8	Very high	97.4	Very high	43 Å²	43	34.4 Å²	34.4	44%	0.443	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-28.7	-172.9	0	0	0	0	0	115.3	G58 Y59	G56-G58 PolarHBondContact O-N 2.93Å; G56-G58 VanDerWaalsContact O-N 3.11Å; G56-Y59 WeakPolarHBondContact O-CB 3.41Å; G56-Y59 PolarHBondContact O-N 3.4Å
57	R	97.6	Very high	97.4	Very high	78 Å²	78	33.9 Å²	33.9	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-54.9	-30	174.1	179.4	167.8	168.2	-95.1	5.3	113.4	N55 Y59 D60 V61 G313 G315 D317	N55-R57 PolarHBondContact O-N 2.86Å; R57-Y59 PolarHBondContact O-N 2.83Å; R57-D60 PolarHBondContact O-N 2.79Å; R57-D60 VanDerWaalsContact O-N 3.17Å; R57-V61 HydrophobicContact CG-CG2 4.14Å; R57-V61 WeakPolarHBondContact O-CG2 2.98Å; R57-V61 PolarHBondContact O-N 2.87Å; R57-G313 PolarHBondContact NH1-O 2.98Å; R57-G315 VanDerWaalsContact CZ-O 3.26Å; R57-G315 PolarHBondContact NH1-O 2.85Å; R57-G315 PolarHBondContact NH2-O 2.85Å; R57-G315 VanDerWaalsContact NH2-O 3.12Å; R57-D317 IonicContact CZ-OD1 2.8Å; R57-D317 IonicContact NE-OD1 2.69Å; R57-D317 IonicContact NH2-OD1 3.32Å; R57-D317 PolarHBondContact NH2-OD1 3.32Å; R57-D317 IonicContact NH2-OD2 2.7Å
58	G	98.4	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-32.4	177.2	0	0	0	0	0	112.9	N55 G56 A62	N55-G58 PolarHBondContact O-N 3.27Å; G56-G58 PolarHBondContact O-N 2.93Å; G56-G58 VanDerWaalsContact O-N 3.11Å; G58-A62 WeakPolarHBondContact O-CB 3.29Å; G58-A62 PolarHBondContact O-N 3.01Å
59	Y	98.6	Very high	97.3	Very high	35 Å²	35	33.9 Å²	33.9	14%	0.137	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-41	176	-73	-108.2	0	0	0	111.5	V51 T52 G56 R57 A62 K63 W76 W98	V51-Y59 HydrophobicContact CG1-CD1 4.5Å; V51-Y59 HydrophobicContact CG1-CD2 3.56Å; V51-Y59 HydrophobicContact CG1-CE2 3.64Å; V51-Y59 HydrophobicContact CG1-CG 4.01Å; T52-Y59 WeakPolarHBondContact O-CE2 3.41Å; G56-Y59 WeakPolarHBondContact O-CB 3.41Å; G56-Y59 PolarHBondContact O-N 3.4Å; R57-Y59 PolarHBondContact O-N 2.83Å; Y59-A62 PolarHBondContact O-N 3.45Å; Y59-K63 WeakPolarHBondContact O-CE 3.47Å; Y59-K63 PolarHBondContact O-N 3.17Å; Y59-W76 HydrophobicContact CE1-CZ2 4.16Å; Y59-W76 AromaticContact CZ-NE1 3.89Å; Y59-W76 PolarHBondContact OH-NE1 2.97Å; Y59-W98 HydrophobicContact CD1-CB 4.32Å; Y59-W98 AromaticContact CD1-CD1 3.57Å; Y59-W98 AromaticContact CD1-CD2 3.5Å; Y59-W98 HydrophobicContact CD1-CD2 3.5Å; Y59-W98 AromaticContact CD1-CE2 3.48Å; Y59-W98 VanDerWaalsContact CD1-CE2 3.48Å; Y59-W98 HydrophobicContact CD1-CE3 4.19Å; Y59-W98 AromaticContact CD1-CG 3.54Å; Y59-W98 HydrophobicContact CD1-CG 3.54Å; Y59-W98 HydrophobicContact CD1-CZ2 4.11Å; Y59-W98 AromaticContact CD1-NE1 3.52Å; Y59-W98 AromaticContact CE1-CD2 3.9Å; Y59-W98 HydrophobicContact CE1-CD2 3.9Å; Y59-W98 HydrophobicContact CE1-CE3 4.12Å; Y59-W98 HydrophobicContact CE1-CG 4.19Å; Y59-W98 AromaticContact CG-NE1 3.88Å; Y59-W98 PolarHBondContact O-NE1 2.85Å
60	D	97.9	Very high	97.3	Very high	80 Å²	80	35 Å²	35	43%	0.428	18%	0.178	S	C	.	.	H	α-helix	trans	-68.6	-43.7	177.1	-64.9	-42.5	0	0	0	111.5	R57 A62 K63 L64	R57-D60 PolarHBondContact O-N 2.79Å; R57-D60 VanDerWaalsContact O-N 3.17Å; D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact O-N 3.11Å; D60-K63 PolarHBondContact O-N 3.2Å; D60-K63 VanDerWaalsContact O-N 3.13Å; D60-K63 WeakPolarHBondContact OD1-CE 3.27Å; D60-K63 IonicContact OD1-NZ 2.83Å; D60-K63 PolarHBondContact OD1-NZ 2.87Å; D60-L64 WeakPolarHBondContact O-CB 3.32Å; D60-L64 WeakPolarHBondContact O-CG 3.27Å; D60-L64 PolarHBondContact O-N 2.95Å
61	V	97.8	Very high	97.3	Very high	2 Å²	2	36 Å²	36	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-42.9	174.5	162.4	0	0	0	0	111.9	R57 K63 L64 Y65 I312 Y320	R57-V61 HydrophobicContact CG-CG2 4.14Å; R57-V61 WeakPolarHBondContact O-CG2 2.98Å; R57-V61 PolarHBondContact O-N 2.87Å; V61-K63 VanDerWaalsContact C-N 3.26Å; V61-K63 PolarHBondContact O-N 2.94Å; V61-L64 PolarHBondContact O-N 2.01Å; V61-Y65 HydrophobicContact CG1-CD2 3.97Å; V61-Y65 HydrophobicContact CG2-CD2 4.47Å; V61-Y65 HydrophobicContact CG2-CE2 4.45Å; V61-Y65 PolarHBondContact O-N 3Å; V61-I312 HydrophobicContact CB-CD1 4.42Å; V61-I312 HydrophobicContact CB-CG1 4.25Å; V61-I312 HydrophobicContact CG1-CB 3.75Å; V61-I312 HydrophobicContact CG1-CD1 3.77Å; V61-I312 HydrophobicContact CG1-CG1 3.75Å; V61-Y320 HydrophobicContact CG1-CE1 3.86Å; V61-Y320 HydrophobicContact CG1-CE2 4.02Å; V61-Y320 WeakPolarHBondContact CG1-OH 3.26Å; V61-Y320 HydrophobicContact CG2-CE2 4.14Å
62	A	98.1	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-34.6	177.8	0	0	0	0	0	112.6	V51 G58 Y59 D60 G66 I72 W98 V102 I312	V51-A62 HydrophobicContact CG2-CB 4.28Å; G58-A62 WeakPolarHBondContact O-CB 3.29Å; G58-A62 PolarHBondContact O-N 3.01Å; Y59-A62 PolarHBondContact O-N 3.45Å; D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact O-N 3.11Å; A62-G66 WeakPolarHBondContact O-CA 3.39Å; A62-G66 PolarHBondContact O-N 2.84Å; A62-I72 HydrophobicContact CB-CD1 4.32Å; A62-W98 HydrophobicContact CB-CZ2 3.66Å; A62-V102 HydrophobicContact CB-CG2 3.86Å; A62-I312 HydrophobicContact CB-CD1 4.11Å
63	K	97.4	Very high	97.3	Very high	63 Å²	63	36 Å²	36	27%	0.274	18%	0.183	S	C	.	.	H	α-helix	trans	-75.1	-42.7	175.3	-67	176.4	-64.3	-176.3	0	111.9	Y59 D60 V61 D101 V102 T105	Y59-K63 WeakPolarHBondContact O-CE 3.47Å; Y59-K63 PolarHBondContact O-N 3.17Å; D60-K63 PolarHBondContact O-N 3.2Å; D60-K63 VanDerWaalsContact O-N 3.13Å; D60-K63 WeakPolarHBondContact OD1-CE 3.27Å; D60-K63 IonicContact OD1-NZ 2.83Å; D60-K63 PolarHBondContact OD1-NZ 2.87Å; V61-K63 VanDerWaalsContact C-N 3.26Å; V61-K63 PolarHBondContact O-N 2.94Å; K63-D101 HydrophobicContact CD-CB 3.76Å; K63-D101 HydrophobicContact CG-CB 3.86Å; K63-V102 HydrophobicContact CG-CG2 4.17Å; K63-T105 WeakPolarHBondContact O-CB 3.18Å; K63-T105 VanDerWaalsContact O-CG2 3.27Å; K63-T105 WeakPolarHBondContact O-CG2 3.34Å; K63-T105 PolarHBondContact O-OG1 3.44Å
64	L	96	Very high	97.4	Very high	109 Å²	109	33.8 Å²	33.8	57%	0.571	17%	0.169	S	C	*	.	H	α-helix	trans	-74.7	-42.1	-175	-72.1	170.5	0	0	0	113	D60 V61	D60-L64 WeakPolarHBondContact O-CB 3.32Å; D60-L64 WeakPolarHBondContact O-CG 3.27Å; D60-L64 PolarHBondContact O-N 2.95Å; V61-L64 PolarHBondContact O-N 2.01Å
65	Y	96.7	Very high	97.6	Very high	21 Å²	21	26.1 Å²	26.1	8%	0.082	14%	0.14	C	C	.	.	S	Bend	trans	-115.7	18.5	-172.5	-52.3	-41	0	0	0	112.3	V35 P38 V61 S67 K68 F69 Y320	V35-Y65 HydrophobicContact CB-CE1 4.33Å; V35-Y65 HydrophobicContact CG1-CE1 4.03Å; V35-Y65 HydrophobicContact CG2-CE1 4.18Å; V35-Y65 WeakPolarHBondContact CG2-OH 3.47Å; P38-Y65 HydrophobicContact CB-CD1 3.8Å; P38-Y65 HydrophobicContact CB-CE1 3.76Å; V61-Y65 HydrophobicContact CG1-CD2 3.97Å; V61-Y65 HydrophobicContact CG2-CD2 4.47Å; V61-Y65 HydrophobicContact CG2-CE2 4.45Å; V61-Y65 PolarHBondContact O-N 3Å; Y65-S67 PolarHBondContact O-N 3.09Å; Y65-S67 VanDerWaalsContact O-N 3.08Å; Y65-K68 WeakPolarHBondContact O-CB 3.12Å; Y65-K68 PolarHBondContact O-N 2.98Å; Y65-F69 WeakPolarHBondContact O-CD2 3.44Å; Y65-F69 WeakPolarHBondContact O-CE2 3.36Å; Y65-Y320 HydrophobicContact CD2-CD1 4.04Å; Y65-Y320 AromaticContact CD2-CD2 3.2Å; Y65-Y320 HydrophobicContact CD2-CD2 3.2Å; Y65-Y320 HydrophobicContact CD2-CE1 4.43Å; Y65-Y320 AromaticContact CD2-CE2 3.67Å; Y65-Y320 HydrophobicContact CD2-CE2 3.67Å; Y65-Y320 AromaticContact CD2-CG 3.47Å; Y65-Y320 HydrophobicContact CD2-CG 3.47Å; Y65-Y320 VanDerWaalsContact CD2-CG 3.47Å; Y65-Y320 AromaticContact CE2-CD2 3.24Å; Y65-Y320 HydrophobicContact CE2-CD2 3.24Å; Y65-Y320 AromaticContact CE2-CE2 3.71Å; Y65-Y320 HydrophobicContact CE2-CE2 3.71Å; Y65-Y320 AromaticContact CE2-CG 3.94Å; Y65-Y320 HydrophobicContact CE2-CG 3.94Å; Y65-Y320 HydrophobicContact CG-CD2 4.24Å; Y65-Y320 HydrophobicContact CG-CG 4.11Å
66	G	96.3	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-54.2	-29.2	-176.5	0	0	0	0	0	115	A62 K68 F69 N106	A62-G66 WeakPolarHBondContact O-CA 3.39Å; A62-G66 PolarHBondContact O-N 2.84Å; G66-K68 VanDerWaalsContact C-N 3.25Å; G66-K68 PolarHBondContact O-N 3.29Å; G66-F69 PolarHBondContact O-N 3.34Å; G66-N106 PolarHBondContact O-ND2 2.86Å; G66-N106 VanDerWaalsContact O-ND2 3.09Å
67	S	96.8	Very high	97.9	Very high	29 Å²	29	23.3 Å²	23.3	20%	0.203	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-70.6	-18.1	177.5	63.7	0	0	0	0	113.9	G39 Y65 F69	G39-S67 VanDerWaalsContact CA-OG 3.28Å; G39-S67 WeakPolarHBondContact CA-OG 3.37Å; G39-S67 WeakPolarHBondContact O-CB 3.43Å; G39-S67 PolarHBondContact O-OG 3.42Å; Y65-S67 PolarHBondContact O-N 3.09Å; Y65-S67 VanDerWaalsContact O-N 3.08Å; S67-F69 VanDerWaalsContact C-N 3.29Å
68	K	97.6	Very high	97.9	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-78.7	-15.2	175.4	-62.1	-177.4	172.8	-74.4	0	113	S37 P38 E40 K41 Y65 G66 Y320 L323	S37-K68 WeakPolarHBondContact O-CE 3.3Å; S37-K68 PolarHBondContact O-NZ 3.18Å; S37-K68 VanDerWaalsContact O-NZ 3.07Å; P38-K68 WeakPolarHBondContact O-CE 3.06Å; E40-K68 PolarHBondContact O-NZ 3.4Å; K41-K68 VanDerWaalsContact CE-O 3.24Å; K41-K68 WeakPolarHBondContact CE-O 3.25Å; Y65-K68 WeakPolarHBondContact O-CB 3.12Å; Y65-K68 PolarHBondContact O-N 2.98Å; G66-K68 VanDerWaalsContact C-N 3.25Å; G66-K68 PolarHBondContact O-N 3.29Å; K68-Y320 VanDerWaalsContact CD-O 3.26Å; K68-Y320 WeakPolarHBondContact CD-O 3.45Å; K68-Y320 WeakPolarHBondContact CE-O 3.47Å; K68-Y320 PolarHBondContact NZ-O 2.87Å; K68-L323 HydrophobicContact CB-CB 4.23Å; K68-L323 HydrophobicContact CD-CB 4.32Å; K68-L323 PolarHBondContact NZ-O 3.08Å
69	F	98.3	Very high	97.8	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	12%	0.116	C	C	.	.			trans	-105.3	147.5	-178.8	-50.3	-63.6	0	0	0	110.8	T47 A49 Y65 G66 S67 I72 N106 I109 I309 I312 Y320 L323	T47-F69 HydrophobicContact CG2-CD1 3.77Å; T47-F69 HydrophobicContact CG2-CE1 4.26Å; A49-F69 HydrophobicContact CB-CD1 3.53Å; A49-F69 HydrophobicContact CB-CD2 4.28Å; A49-F69 HydrophobicContact CB-CE1 3.67Å; A49-F69 HydrophobicContact CB-CE2 4.39Å; A49-F69 HydrophobicContact CB-CG 3.85Å; A49-F69 HydrophobicContact CB-CZ 4.11Å; Y65-F69 WeakPolarHBondContact O-CD2 3.44Å; Y65-F69 WeakPolarHBondContact O-CE2 3.36Å; G66-F69 PolarHBondContact O-N 3.34Å; S67-F69 VanDerWaalsContact C-N 3.29Å; F69-I72 HydrophobicContact CB-CD1 3.92Å; F69-I72 HydrophobicContact CD2-CD1 3.72Å; F69-I72 HydrophobicContact CG-CD1 3.94Å; F69-N106 PolarHBondContact O-ND2 2.8Å; F69-I109 HydrophobicContact CB-CD1 3.89Å; F69-I109 WeakPolarHBondContact O-CD1 3.36Å; F69-I309 HydrophobicContact CE1-CD1 4.11Å; F69-I312 HydrophobicContact CE1-CG2 4.26Å; F69-I312 HydrophobicContact CE2-CD1 4.27Å; F69-I312 HydrophobicContact CZ-CD1 4.46Å; F69-I312 HydrophobicContact CZ-CG2 4.04Å; F69-Y320 AromaticContact CZ-CD1 3.99Å; F69-Y320 HydrophobicContact CZ-CD1 3.99Å; F69-Y320 AromaticContact CZ-CE1 3.82Å; F69-Y320 HydrophobicContact CZ-CE1 3.82Å; F69-L323 HydrophobicContact CE1-CD1 3.81Å; F69-L323 HydrophobicContact CZ-CD1 4.42Å
70	S	98.2	Very high	97.7	Very high	25 Å²	25	22.5 Å²	22.5	18%	0.175	11%	0.112	C	C	.	.	S	Bend	trans	-95.1	-28.5	167.3	56.2	0	0	0	0	111.8	P46 T47 I109 S110	P46-S70 WeakPolarHBondContact CA-OG 3.42Å; T47-S70 PolarHBondContact N-OG 3.02Å; T47-S70 PolarHBondContact O-N 3.27Å; T47-S70 PolarHBondContact O-OG 3.2Å; S70-I109 VanDerWaalsContact C-CD1 3.46Å; S70-S110 PolarHBondContact O-N 3.36Å
71	H	98.8	Very high	97.4	Very high	30 Å²	30	18.7 Å²	18.7	14%	0.139	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.6	-177.4	-61.3	77.4	0	0	0	109.4	T47 L48 A49 S110 V112 F185	T47-H71 PolarHBondContact O-N 3.28Å; T47-H71 VanDerWaalsContact O-N 3.09Å; L48-H71 WeakPolarHBondContact CA-O 3.4Å; L48-H71 HydrophobicContact CB-CB 3.97Å; L48-H71 HydrophobicContact CD1-CB 3.9Å; L48-H71 HydrophobicContact CG-CB 3.89Å; A49-H71 PolarHBondContact N-O 2.9Å; H71-S110 CarbonylContact C-O 3.51Å; H71-S110 VanDerWaalsContact CA-O 3.25Å; H71-S110 WeakPolarHBondContact CA-O 3.46Å; H71-S110 WeakPolarHBondContact CD2-CB 3.47Å; H71-V112 HydrophobicContact CB-CG2 3.92Å; H71-F185 AromaticContact CE1-CE2 3.64Å; H71-F185 AromaticContact NE2-CE2 3.73Å
72	I	98.7	Very high	96.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.4	165.5	-63.5	-59.4	0	0	0	107.6	A49 V51 A62 F69 P74 W98 V102 I109 S110 I111 V112 I312	A49-I72 HydrophobicContact CB-CD1 3.85Å; A49-I72 WeakPolarHBondContact O-CA 3.26Å; V51-I72 HydrophobicContact CG2-CG2 3.95Å; A62-I72 HydrophobicContact CB-CD1 4.32Å; F69-I72 HydrophobicContact CB-CD1 3.92Å; F69-I72 HydrophobicContact CD2-CD1 3.72Å; F69-I72 HydrophobicContact CG-CD1 3.94Å; I72-P74 HydrophobicContact CG2-CG 4.38Å; I72-P74 WeakPolarHBondContact O-CD 3.48Å; I72-W98 HydrophobicContact CG2-CH2 3.66Å; I72-W98 HydrophobicContact CG2-CZ2 4.2Å; I72-V102 HydrophobicContact CG1-CG1 4.03Å; I72-I109 HydrophobicContact CG1-CD1 3.98Å; I72-I109 HydrophobicContact CG1-CG1 3.86Å; I72-S110 PolarHBondContact N-O 2.95Å; I72-I111 HydrophobicContact CB-CD1 3.95Å; I72-V112 PolarHBondContact O-N 3.33Å; I72-I312 HydrophobicContact CD1-CD1 4.43Å
73	S	98.8	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	93	178.1	-166.6	0	0	0	0	111.1	A49 F50 V51 V112 R114 V155	A49-S73 PolarHBondContact O-N 3.13Å; F50-S73 WeakPolarHBondContact CA-O 2.97Å; V51-S73 PolarHBondContact N-O 3.33Å; V51-S73 VanDerWaalsContact N-O 3.12Å; S73-V112 WeakPolarHBondContact CA-O 3.36Å; S73-V112 VanDerWaalsContact CB-O 3.26Å; S73-V112 WeakPolarHBondContact CB-O 3.49Å; S73-V112 PolarHBondContact OG-O 2.81Å; S73-R114 PolarHBondContact OG-N 2.93Å; S73-V155 WeakPolarHBondContact OG-CG2 3.34Å
74	P	98.8	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.9	173.9	-16.1	27.1	0	0	0	111.6	I72 W76 W98 I111 P113 R114	I72-P74 HydrophobicContact CG2-CG 4.38Å; I72-P74 WeakPolarHBondContact O-CD 3.48Å; P74-W76 HydrophobicContact CB-CD2 3.45Å; P74-W76 VanDerWaalsContact CB-CD2 3.45Å; P74-W76 HydrophobicContact CB-CE3 3.74Å; P74-W76 HydrophobicContact CB-CG 4.06Å; P74-W76 HydrophobicContact CB-CH2 3.79Å; P74-W76 HydrophobicContact CB-CZ2 3.47Å; P74-W76 VanDerWaalsContact CB-CZ2 3.47Å; P74-W76 HydrophobicContact CB-CZ3 3.9Å; P74-W76 HydrophobicContact CG-CD2 4.45Å; P74-W76 HydrophobicContact CG-CE3 4.31Å; P74-W76 HydrophobicContact CG-CH2 3.86Å; P74-W76 HydrophobicContact CG-CZ2 3.97Å; P74-W76 HydrophobicContact CG-CZ3 4.02Å; P74-W76 PolarHBondContact O-N 3.4Å; P74-W98 HydrophobicContact CB-CH2 4.4Å; P74-W98 HydrophobicContact CB-CZ3 4.24Å; P74-W98 HydrophobicContact CG-CH2 3.82Å; P74-W98 HydrophobicContact CG-CZ3 3.64Å; P74-I111 HydrophobicContact CG-CG2 4.29Å; P74-P113 HydrophobicContact CG-CG 4.46Å; P74-P113 WeakPolarHBondContact O-CA 3.49Å; P74-R114 PolarHBondContact O-N 3.49Å
75	V	98.6	Very high	94.3	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.03	12%	0.122	C	C	.	.			trans	-95.7	66.5	-176.8	-171.7	0	0	0	0	109.9	F50 V51 T52 P53 W54 R114 W310	F50-V75 HydrophobicContact CB-CG2 4.27Å; F50-V75 HydrophobicContact CD1-CG2 3.88Å; V51-V75 WeakPolarHBondContact O-CG2 3.11Å; V51-V75 PolarHBondContact O-N 3.22Å; T52-V75 HydrophobicContact CG2-CB 3.92Å; T52-V75 HydrophobicContact CG2-CG1 4.42Å; T52-V75 HydrophobicContact CG2-CG2 3.83Å; P53-V75 WeakPolarHBondContact CD-O 3.47Å; W54-V75 HydrophobicContact CH2-CB 4.49Å; W54-V75 HydrophobicContact CH2-CG1 3.83Å; V75-R114 HydrophobicContact CG2-CB 4.44Å; V75-W310 HydrophobicContact CG1-CH2 4.31Å; V75-W310 HydrophobicContact CG2-CH2 4.13Å; V75-W310 HydrophobicContact CG2-CZ3 4.09Å
76	W	98.3	Very high	94.1	Very high	9 Å²	9	22.5 Å²	22.5	3%	0.034	12%	0.121	C	C	.	.			trans	-101.6	-38.2	-176.3	-59.5	-26.3	0	0	0	112.7	Y59 P74 G90 D93 I94 W98 L99 F151	Y59-W76 HydrophobicContact CE1-CZ2 4.16Å; Y59-W76 AromaticContact CZ-NE1 3.89Å; Y59-W76 PolarHBondContact OH-NE1 2.97Å; P74-W76 HydrophobicContact CB-CD2 3.45Å; P74-W76 VanDerWaalsContact CB-CD2 3.45Å; P74-W76 HydrophobicContact CB-CE3 3.74Å; P74-W76 HydrophobicContact CB-CG 4.06Å; P74-W76 HydrophobicContact CB-CH2 3.79Å; P74-W76 HydrophobicContact CB-CZ2 3.47Å; P74-W76 VanDerWaalsContact CB-CZ2 3.47Å; P74-W76 HydrophobicContact CB-CZ3 3.9Å; P74-W76 HydrophobicContact CG-CD2 4.45Å; P74-W76 HydrophobicContact CG-CE3 4.31Å; P74-W76 HydrophobicContact CG-CH2 3.86Å; P74-W76 HydrophobicContact CG-CZ2 3.97Å; P74-W76 HydrophobicContact CG-CZ3 4.02Å; P74-W76 PolarHBondContact O-N 3.4Å; W76-G90 WeakPolarHBondContact O-CA 3.37Å; W76-D93 HydrophobicContact CB-CB 3.99Å; W76-D93 HydrophobicContact CD2-CB 4.41Å; W76-D93 HydrophobicContact CG-CB 3.78Å; W76-I94 HydrophobicContact CE3-CG1 4.14Å; W76-I94 HydrophobicContact CZ3-CG1 4.31Å; W76-I94 HydrophobicContact CZ3-CG2 4.5Å; W76-W98 AromaticContact CH2-CE3 3.76Å; W76-W98 HydrophobicContact CH2-CE3 3.76Å; W76-W98 AromaticContact CH2-CZ3 3.56Å; W76-W98 HydrophobicContact CH2-CZ3 3.56Å; W76-W98 AromaticContact CZ2-CE3 3.74Å; W76-W98 HydrophobicContact CZ2-CE3 3.74Å; W76-W98 HydrophobicContact CZ2-CH2 4.46Å; W76-W98 AromaticContact CZ2-CZ3 3.51Å; W76-W98 HydrophobicContact CZ2-CZ3 3.51Å; W76-L99 HydrophobicContact CH2-CD1 4.33Å; W76-L99 HydrophobicContact CH2-CD2 4.03Å; W76-L99 HydrophobicContact CH2-CG 4.16Å; W76-L99 HydrophobicContact CZ3-CD1 4.38Å; W76-L99 HydrophobicContact CZ3-CD2 4.46Å; W76-F151 HydrophobicContact CE3-CZ 4.46Å; W76-F151 HydrophobicContact CZ3-CE1 4.17Å; W76-F151 HydrophobicContact CZ3-CZ 4.08Å
77	F	98.5	Very high	94	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.9	-158.7	-51.7	-57	0	0	0	114.2	I88 D89 G90 I94 P113 R114 F115 L116 F145 F151	F77-I88 HydrophobicContact CB-CG2 4.36Å; F77-I88 HydrophobicContact CD1-CG2 4.12Å; F77-I88 HydrophobicContact CG-CG2 4.38Å; F77-D89 WeakPolarHBondContact CA-O 3.43Å; F77-G90 WeakPolarHBondContact CE1-O 3.43Å; F77-I94 HydrophobicContact CE1-CD1 4.04Å; F77-I94 HydrophobicContact CE1-CG1 3.86Å; F77-I94 HydrophobicContact CZ-CD1 3.77Å; F77-I94 HydrophobicContact CZ-CG1 3.61Å; F77-P113 HydrophobicContact CD2-CB 3.63Å; F77-P113 HydrophobicContact CE2-CB 3.48Å; F77-P113 VanDerWaalsContact CE2-CB 3.48Å; F77-P113 HydrophobicContact CE2-CG 3.96Å; F77-R114 PolarHBondContact N-O 3.17Å; F77-R114 PolarHBondContact O-NH2 3.39Å; F77-F115 HydrophobicContact CB-CD1 3.48Å; F77-F115 VanDerWaalsContact CB-CD1 3.48Å; F77-F115 HydrophobicContact CB-CD2 4.44Å; F77-F115 HydrophobicContact CB-CE1 3.47Å; F77-F115 VanDerWaalsContact CB-CE1 3.47Å; F77-F115 HydrophobicContact CB-CE2 4.43Å; F77-F115 HydrophobicContact CB-CG 4Å; F77-F115 HydrophobicContact CB-CZ 3.97Å; F77-F115 HydrophobicContact CD2-CD1 4.38Å; F77-F115 HydrophobicContact CD2-CD2 4.25Å; F77-F115 AromaticContact CD2-CE1 3.76Å; F77-F115 HydrophobicContact CD2-CE1 3.76Å; F77-F115 AromaticContact CD2-CE2 3.6Å; F77-F115 HydrophobicContact CD2-CE2 3.6Å; F77-F115 AromaticContact CD2-CZ 3.32Å; F77-F115 HydrophobicContact CD2-CZ 3.32Å; F77-F115 HydrophobicContact CE2-CE2 4.28Å; F77-F115 AromaticContact CE2-CZ 3.96Å; F77-F115 HydrophobicContact CE2-CZ 3.96Å; F77-F115 HydrophobicContact CG-CD1 4.23Å; F77-F115 AromaticContact CG-CE1 3.72Å; F77-F115 HydrophobicContact CG-CE1 3.72Å; F77-F115 HydrophobicContact CG-CE2 4.37Å; F77-F115 AromaticContact CG-CZ 3.8Å; F77-F115 HydrophobicContact CG-CZ 3.8Å; F77-L116 PolarHBondContact O-N 2.72Å; F77-F145 HydrophobicContact CD1-CE1 4.36Å; F77-F145 HydrophobicContact CD1-CZ 4.33Å; F77-F145 HydrophobicContact CD2-CE1 4.34Å; F77-F145 AromaticContact CE1-CE1 4Å; F77-F145 HydrophobicContact CE1-CE1 4Å; F77-F145 AromaticContact CE1-CZ 3.79Å; F77-F145 HydrophobicContact CE1-CZ 3.79Å; F77-F145 AromaticContact CE2-CE1 3.94Å; F77-F145 HydrophobicContact CE2-CE1 3.94Å; F77-F145 AromaticContact CZ-CE1 3.74Å; F77-F145 HydrophobicContact CZ-CE1 3.74Å; F77-F145 AromaticContact CZ-CZ 3.86Å; F77-F145 HydrophobicContact CZ-CZ 3.86Å; F77-F151 AromaticContact CE2-CE2 3.72Å; F77-F151 HydrophobicContact CE2-CE2 3.72Å; F77-F151 HydrophobicContact CE2-CZ 4.04Å; F77-F151 AromaticContact CZ-CE2 3.88Å; F77-F151 HydrophobicContact CZ-CE2 3.88Å; F77-F151 HydrophobicContact CZ-CZ 4.01Å
78	R	97.6	Very high	94	Very high	88 Å²	88	26.2 Å²	26.2	33%	0.332	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.6	165.7	-62.6	172.5	-69	143	1.9	107.9	V80 I88 D89 L116 E118	R78-V80 HydrophobicContact CB-CG2 4.3Å; R78-I88 WeakPolarHBondContact O-CA 3.41Å; R78-D89 HydrophobicContact CB-CB 4.25Å; R78-D89 IonicContact CZ-OD2 3.72Å; R78-D89 PolarHBondContact N-O 2.88Å; R78-D89 IonicContact NH2-OD2 3.2Å; R78-D89 PolarHBondContact NH2-OD2 2.82Å; R78-D89 PolarHBondContact O-N 3.26Å; R78-L116 CarbonylContact C-O 3.59Å; R78-L116 VanDerWaalsContact CA-O 3.29Å; R78-L116 WeakPolarHBondContact CA-O 3.49Å; R78-L116 HydrophobicContact CG-CB 4.45Å; R78-E118 VanDerWaalsContact CD-OE2 3.32Å; R78-E118 WeakPolarHBondContact CD-OE2 3.45Å; R78-E118 IonicContact CZ-OE2 3.59Å; R78-E118 IonicContact NE-OE2 3.82Å; R78-E118 IonicContact NH1-OE1 3.82Å; R78-E118 IonicContact NH1-OE2 3.86Å; R78-E118 PolarHBondContact NH1-OE2 3.45Å
79	L	96.9	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.1	167.7	-176.1	77.9	0	0	0	106.9	P81 C86 I88 L116 V117 E118 F128 M141 F156	L79-P81 WeakPolarHBondContact O-CD 3.3Å; L79-C86 HydrophobicContact CD1-CB 3.96Å; L79-C86 HydrophobicContact CG-CB 4.43Å; L79-I88 HydrophobicContact CD1-CG1 4.12Å; L79-L116 PolarHBondContact N-O 2.88Å; L79-V117 HydrophobicContact CD2-CG2 4.37Å; L79-V117 WeakPolarHBondContact O-CA 3.38Å; L79-E118 PolarHBondContact O-N 2.65Å; L79-F128 HydrophobicContact CD2-CZ 4.4Å; L79-M141 HydrophobicContact CD1-CE 3.47Å; L79-M141 VanDerWaalsContact CD1-CE 3.47Å; L79-F156 HydrophobicContact CD2-CE2 3.82Å; L79-F156 HydrophobicContact CD2-CZ 3.97Å
80	V	96.1	Very high	93.9	Very high	9 Å²	9	29.3 Å²	29.3	6%	0.055	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	104.7	-175.7	-174.2	0	0	0	0	109	R78 C86 Q87 E118 R120	R78-V80 HydrophobicContact CB-CG2 4.3Å; V80-C86 CarbonylContact O-C 3.53Å; V80-C86 WeakPolarHBondContact O-CA 3.25Å; V80-Q87 PolarHBondContact N-O 2.83Å; V80-Q87 PolarHBondContact O-N 3.11Å; V80-E118 HydrophobicContact CG2-CB 4.46Å; V80-R120 HydrophobicContact CG1-CG 3.7Å
81	P	92.3	Very high	93.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	139.9	174.7	-20.2	34.7	0	0	0	112.8	L79 C86 V117 E118 Y119 F128	L79-P81 WeakPolarHBondContact O-CD 3.3Å; P81-C86 VanDerWaalsContact CA-SG 3.56Å; P81-V117 HydrophobicContact CG-CG1 4.14Å; P81-E118 VanDerWaalsContact CD-O 3.26Å; P81-E118 WeakPolarHBondContact CD-O 3.32Å; P81-Y119 HydrophobicContact CG-CD1 4.04Å; P81-Y119 HydrophobicContact CG-CE1 3.96Å; P81-F128 HydrophobicContact CB-CB 3.7Å; P81-F128 HydrophobicContact CB-CD2 3.66Å; P81-F128 HydrophobicContact CB-CE2 4.49Å; P81-F128 HydrophobicContact CB-CG 3.79Å; P81-F128 HydrophobicContact CG-CB 4Å; P81-F128 HydrophobicContact CG-CD1 4.15Å; P81-F128 HydrophobicContact CG-CD2 3.58Å; P81-F128 HydrophobicContact CG-CE2 4.06Å; P81-F128 HydrophobicContact CG-CG 3.63Å
82	A	83.4	Confident	93.7	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	20%	0.198	C	C	.	.			trans	-123.3	-176.7	173.7	0	0	0	0	0	110.3	V84 D85	A82-V84 VanDerWaalsContact C-N 3.33Å; A82-V84 PolarHBondContact O-N 2.99Å; A82-D85 CarbonylContact C-O 3.58Å; A82-D85 WeakPolarHBondContact CA-O 3.44Å; A82-D85 WeakPolarHBondContact CB-O 3.45Å; A82-D85 WeakPolarHBondContact CB-OD1 3.26Å; A82-D85 PolarHBondContact N-O 3Å
83	D	78.6	Confident	93.6	Very high	99 Å²	99	41.9 Å²	41.9	53%	0.529	21%	0.211	S	C	.	.	S	Bend	trans	-64.3	-38.9	-174.2	-57.5	-19.1	0	0	0	112.5	N127	D83-N127 PolarHBondContact O-ND2 3.45Å
84	V	78.9	Confident	93.5	Very high	100 Å²	100	43.4 Å²	43.4	61%	0.606	22%	0.219	S	C	*	.	S	Bend	trans	-123	-10.2	-173.3	-65.5	0	0	0	0	114	A82 K137	A82-V84 VanDerWaalsContact C-N 3.33Å; A82-V84 PolarHBondContact O-N 2.99Å; V84-K137 VanDerWaalsContact O-CD 3.25Å; V84-K137 WeakPolarHBondContact O-CD 3.36Å; V84-K137 WeakPolarHBondContact O-CE 3.39Å; V84-K137 PolarHBondContact O-NZ 3.34Å
85	D	83.1	Confident	93.5	Very high	62 Å²	62	46.9 Å²	46.9	33%	0.332	24%	0.238	S	C	.	.			trans	-153.6	-175.2	-177.9	51.7	15.7	0	0	0	112	A82 K137	A82-D85 CarbonylContact C-O 3.58Å; A82-D85 WeakPolarHBondContact CA-O 3.44Å; A82-D85 WeakPolarHBondContact CB-O 3.45Å; A82-D85 WeakPolarHBondContact CB-OD1 3.26Å; A82-D85 PolarHBondContact N-O 3Å; D85-K137 HydrophobicContact CB-CD 4.32Å
86	C	91.4	Very high	93.4	Very high	8 Å²	8	54 Å²	54	5%	0.054	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	161.5	167.5	-78.6	0	0	0	0	108.5	L79 V80 P81 C138 M141	L79-C86 HydrophobicContact CD1-CB 3.96Å; L79-C86 HydrophobicContact CG-CB 4.43Å; V80-C86 CarbonylContact O-C 3.53Å; V80-C86 WeakPolarHBondContact O-CA 3.25Å; P81-C86 VanDerWaalsContact CA-SG 3.56Å; C86-C138 HydrophobicContact CB-CB 3.68Å; C86-C138 WeakPolarHBondContact CB-SG 3.29Å; C86-C138 WeakPolarHBondContact SG-CB 3.46Å; C86-C138 CovalentContact SG-SG 2.01Å; C86-C138 PolarHBondContact SG-SG 3.09Å; C86-M141 HydrophobicContact CB-CE 3.46Å; C86-M141 VanDerWaalsContact CB-CE 3.46Å; C86-M141 HydrophobicContact CB-SD 4.43Å
87	Q	94.4	Very high	93.4	Very high	98 Å²	98	55.4 Å²	55.4	46%	0.458	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.1	171.7	-60.1	-179.5	-70.2	0	0	109.6	V80	V80-Q87 PolarHBondContact N-O 2.83Å; V80-Q87 PolarHBondContact O-N 3.11Å
88	I	96.6	Very high	93.4	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.051	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.1	171.4	-64.7	170.8	0	0	0	107.5	F77 R78 L79 Q91 F115 M141 L142 F145	F77-I88 HydrophobicContact CB-CG2 4.36Å; F77-I88 HydrophobicContact CD1-CG2 4.12Å; F77-I88 HydrophobicContact CG-CG2 4.38Å; R78-I88 WeakPolarHBondContact O-CA 3.41Å; L79-I88 HydrophobicContact CD1-CG1 4.12Å; I88-Q91 HydrophobicContact CG2-CG 4.08Å; I88-Q91 PolarHBondContact O-NE2 3.12Å; I88-F115 HydrophobicContact CD1-CE1 4.12Å; I88-F115 HydrophobicContact CG1-CE1 4.3Å; I88-F115 HydrophobicContact CG2-CE1 3.85Å; I88-M141 HydrophobicContact CD1-CE 3.92Å; I88-M141 HydrophobicContact CD1-CG 4.38Å; I88-M141 HydrophobicContact CD1-SD 4.42Å; I88-M141 HydrophobicContact CG1-CE 3.61Å; I88-M141 HydrophobicContact CG1-SD 4.28Å; I88-L142 HydrophobicContact CD1-CD1 4.33Å; I88-F145 HydrophobicContact CD1-CB 3.54Å; I88-F145 HydrophobicContact CD1-CD1 3.85Å; I88-F145 HydrophobicContact CD1-CD2 4Å; I88-F145 HydrophobicContact CD1-CG 3.51Å; I88-F145 HydrophobicContact CG2-CD1 4.46Å; I88-F145 HydrophobicContact CG2-CE1 4.14Å; I88-F145 HydrophobicContact CG2-CE2 4.3Å; I88-F145 HydrophobicContact CG2-CZ 4.04Å
89	D	96.7	Very high	93.4	Very high	59 Å²	59	52.3 Å²	52.3	32%	0.316	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	160.2	173	-82.8	6.1	0	0	0	110.7	F77 R78	F77-D89 WeakPolarHBondContact CA-O 3.43Å; R78-D89 HydrophobicContact CB-CB 4.25Å; R78-D89 IonicContact CZ-OD2 3.72Å; R78-D89 PolarHBondContact N-O 2.88Å; R78-D89 IonicContact NH2-OD2 3.2Å; R78-D89 PolarHBondContact NH2-OD2 2.82Å; R78-D89 PolarHBondContact O-N 3.26Å
90	G	97.1	Very high	93.5	Very high	8 Å²	8	56 Å²	56	8%	0.082	30%	0.297	C	S	.	.			trans	86.4	10.3	178.6	0	0	0	0	0	114.9	W76 F77 H92 D93	W76-G90 WeakPolarHBondContact O-CA 3.37Å; F77-G90 WeakPolarHBondContact CE1-O 3.43Å; G90-H92 PolarHBondContact O-N 2.85Å; G90-H92 VanDerWaalsContact O-N 3.13Å; G90-D93 WeakPolarHBondContact O-CB 3.28Å; G90-D93 PolarHBondContact O-N 3.25Å
91	Q	96.9	Very high	93.6	Very high	105 Å²	105	59.4 Å²	59.4	49%	0.491	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.6	-179.9	-60.7	-176	52.7	0	0	114	I88 D93 I94 F145	I88-Q91 HydrophobicContact CG2-CG 4.08Å; I88-Q91 PolarHBondContact O-NE2 3.12Å; Q91-D93 VanDerWaalsContact C-N 3.29Å; Q91-I94 WeakPolarHBondContact O-CG1 3.45Å; Q91-F145 HydrophobicContact CG-CE2 3.67Å; Q91-F145 HydrophobicContact CG-CZ 3.88Å
92	H	95.7	Very high	93.8	Very high	161 Å²	161	59.4 Å²	59.4	75%	0.745	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-74.4	-17.5	178	57.8	-89.2	0	0	0	113.4	G90 I94	G90-H92 PolarHBondContact O-N 2.85Å; G90-H92 VanDerWaalsContact O-N 3.13Å; H92-I94 PolarHBondContact O-N 3.24Å
93	D	97.1	Very high	94.5	Very high	53 Å²	53	62.2 Å²	62.2	28%	0.283	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-80.6	-2.7	178.3	-65.2	-39.5	0	0	0	112.9	W76 G90 Q91 D95	W76-D93 HydrophobicContact CB-CB 3.99Å; W76-D93 HydrophobicContact CD2-CB 4.41Å; W76-D93 HydrophobicContact CG-CB 3.78Å; G90-D93 WeakPolarHBondContact O-CB 3.28Å; G90-D93 PolarHBondContact O-N 3.25Å; Q91-D93 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 3.18Å
94	I	97.9	Very high	95.4	Very high	32 Å²	32	61.1 Å²	61.1	16%	0.164	33%	0.329	C	S	.	.			trans	-68.3	108.7	177.8	-61.8	176	0	0	0	109.8	W76 F77 Q91 H92 R96 L99 F145 F151	W76-I94 HydrophobicContact CE3-CG1 4.14Å; W76-I94 HydrophobicContact CZ3-CG1 4.31Å; W76-I94 HydrophobicContact CZ3-CG2 4.5Å; F77-I94 HydrophobicContact CE1-CD1 4.04Å; F77-I94 HydrophobicContact CE1-CG1 3.86Å; F77-I94 HydrophobicContact CZ-CD1 3.77Å; F77-I94 HydrophobicContact CZ-CG1 3.61Å; Q91-I94 WeakPolarHBondContact O-CG1 3.45Å; H92-I94 PolarHBondContact O-N 3.24Å; I94-R96 HydrophobicContact CG2-CG 4.14Å; I94-L99 HydrophobicContact CG2-CD1 4.33Å; I94-F145 HydrophobicContact CD1-CZ 3.96Å; I94-F151 HydrophobicContact CD1-CZ 4.3Å; I94-F151 HydrophobicContact CG1-CZ 4.45Å
95	D	97.7	Very high	96.2	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	32%	0.318	S	S	.	.			trans	-97.5	98.8	170.3	-171.5	-22	0	0	0	110.6	D93 G97 W98 L99	D93-D95 PolarHBondContact O-N 3.18Å; D95-G97 VanDerWaalsContact C-N 3.29Å; D95-G97 PolarHBondContact O-N 3.43Å; D95-G97 WeakPolarHBondContact OD1-CA 3.24Å; D95-G97 PolarHBondContact OD1-N 2.93Å; D95-W98 HydrophobicContact CB-CB 3.81Å; D95-W98 VanDerWaalsContact CG-CB 3.41Å; D95-W98 PolarHBondContact O-N 2.81Å; D95-W98 PolarHBondContact OD1-N 3.33Å; D95-L99 VanDerWaalsContact O-CG 3.27Å; D95-L99 WeakPolarHBondContact O-CG 3.41Å; D95-L99 PolarHBondContact O-N 2.97Å; D95-L99 VanDerWaalsContact O-N 3.07Å
96	R	97.6	Very high	96.9	Very high	155 Å²	155	57.2 Å²	57.2	59%	0.585	31%	0.307	S	S	*	.	H	α-helix	trans	-66.7	-30.9	178.4	-65.3	-172.9	-177.1	-82.1	-9.4	112.7	I94 S100 N149	I94-R96 HydrophobicContact CG2-CG 4.14Å; R96-S100 PolarHBondContact O-N 3.49Å; R96-N149 PolarHBondContact NH2-OD1 2.83Å
97	G	97.8	Very high	97.1	Very high	39 Å²	39	61.7 Å²	61.7	40%	0.402	34%	0.336	S	S	.	.	H	α-helix	trans	-67.1	-50.2	177.5	0	0	0	0	0	110	D95 L99 S100 D101	D95-G97 VanDerWaalsContact C-N 3.29Å; D95-G97 PolarHBondContact O-N 3.43Å; D95-G97 WeakPolarHBondContact OD1-CA 3.24Å; D95-G97 PolarHBondContact OD1-N 2.93Å; G97-L99 VanDerWaalsContact C-N 3.34Å; G97-L99 PolarHBondContact O-N 2.99Å; G97-S100 WeakPolarHBondContact O-CA 3.4Å; G97-S100 VanDerWaalsContact O-CB 3.3Å; G97-S100 WeakPolarHBondContact O-CB 3.13Å; G97-S100 PolarHBondContact O-N 3.37Å; G97-D101 PolarHBondContact O-N 2.72Å
98	W	98.1	Very high	97.2	Very high	6 Å²	6	64 Å²	64	2%	0.023	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-41.5	176.7	175.9	74.6	0	0	0	113.2	V51 Y59 A62 I72 P74 W76 D95 S100 D101 V102	V51-W98 HydrophobicContact CB-CH2 4.31Å; V51-W98 HydrophobicContact CB-CZ2 4.36Å; V51-W98 HydrophobicContact CG1-CH2 4.25Å; V51-W98 HydrophobicContact CG1-CZ2 4Å; V51-W98 HydrophobicContact CG2-CH2 4.31Å; V51-W98 HydrophobicContact CG2-CZ2 4.12Å; Y59-W98 HydrophobicContact CD1-CB 4.32Å; Y59-W98 AromaticContact CD1-CD1 3.57Å; Y59-W98 AromaticContact CD1-CD2 3.5Å; Y59-W98 HydrophobicContact CD1-CD2 3.5Å; Y59-W98 AromaticContact CD1-CE2 3.48Å; Y59-W98 VanDerWaalsContact CD1-CE2 3.48Å; Y59-W98 HydrophobicContact CD1-CE3 4.19Å; Y59-W98 AromaticContact CD1-CG 3.54Å; Y59-W98 HydrophobicContact CD1-CG 3.54Å; Y59-W98 HydrophobicContact CD1-CZ2 4.11Å; Y59-W98 AromaticContact CD1-NE1 3.52Å; Y59-W98 AromaticContact CE1-CD2 3.9Å; Y59-W98 HydrophobicContact CE1-CD2 3.9Å; Y59-W98 HydrophobicContact CE1-CE3 4.12Å; Y59-W98 HydrophobicContact CE1-CG 4.19Å; Y59-W98 AromaticContact CG-NE1 3.88Å; Y59-W98 PolarHBondContact O-NE1 2.85Å; A62-W98 HydrophobicContact CB-CZ2 3.66Å; I72-W98 HydrophobicContact CG2-CH2 3.66Å; I72-W98 HydrophobicContact CG2-CZ2 4.2Å; P74-W98 HydrophobicContact CB-CH2 4.4Å; P74-W98 HydrophobicContact CB-CZ3 4.24Å; P74-W98 HydrophobicContact CG-CH2 3.82Å; P74-W98 HydrophobicContact CG-CZ3 3.64Å; W76-W98 AromaticContact CH2-CE3 3.76Å; W76-W98 HydrophobicContact CH2-CE3 3.76Å; W76-W98 AromaticContact CH2-CZ3 3.56Å; W76-W98 HydrophobicContact CH2-CZ3 3.56Å; W76-W98 AromaticContact CZ2-CE3 3.74Å; W76-W98 HydrophobicContact CZ2-CE3 3.74Å; W76-W98 HydrophobicContact CZ2-CH2 4.46Å; W76-W98 AromaticContact CZ2-CZ3 3.51Å; W76-W98 HydrophobicContact CZ2-CZ3 3.51Å; D95-W98 HydrophobicContact CB-CB 3.81Å; D95-W98 VanDerWaalsContact CG-CB 3.41Å; D95-W98 PolarHBondContact O-N 2.81Å; D95-W98 PolarHBondContact OD1-N 3.33Å; W98-S100 VanDerWaalsContact C-N 3.26Å; W98-S100 PolarHBondContact O-N 2.89Å; W98-D101 PolarHBondContact O-N 2.66Å; W98-V102 HydrophobicContact CD2-CG2 4.07Å; W98-V102 HydrophobicContact CG-CG2 4.42Å; W98-V102 HydrophobicContact CZ2-CG2 3.83Å; W98-V102 WeakPolarHBondContact O-CG2 3.41Å; W98-V102 PolarHBondContact O-N 3.01Å
99	L	98.1	Very high	97.3	Very high	17 Å²	17	63.6 Å²	63.6	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-39.7	174.5	-71.2	172.2	0	0	0	112	W76 I94 D95 G97 R103 I111 F151	W76-L99 HydrophobicContact CH2-CD1 4.33Å; W76-L99 HydrophobicContact CH2-CD2 4.03Å; W76-L99 HydrophobicContact CH2-CG 4.16Å; W76-L99 HydrophobicContact CZ3-CD1 4.38Å; W76-L99 HydrophobicContact CZ3-CD2 4.46Å; I94-L99 HydrophobicContact CG2-CD1 4.33Å; D95-L99 VanDerWaalsContact O-CG 3.27Å; D95-L99 WeakPolarHBondContact O-CG 3.41Å; D95-L99 PolarHBondContact O-N 2.97Å; D95-L99 VanDerWaalsContact O-N 3.07Å; G97-L99 VanDerWaalsContact C-N 3.34Å; G97-L99 PolarHBondContact O-N 2.99Å; L99-R103 WeakPolarHBondContact O-CG 3.35Å; L99-R103 PolarHBondContact O-N 3.43Å; L99-R103 VanDerWaalsContact O-N 3.15Å; L99-I111 HydrophobicContact CD2-CB 4.49Å; L99-I111 HydrophobicContact CD2-CD1 4.43Å; L99-I111 HydrophobicContact CD2-CG1 4.2Å; L99-I111 HydrophobicContact CD2-CG2 3.62Å; L99-F151 HydrophobicContact CD1-CE1 3.8Å; L99-F151 HydrophobicContact CD2-CE1 4.46Å
100	S	97.8	Very high	97.4	Very high	76 Å²	76	62.5 Å²	62.5	53%	0.531	35%	0.347	S	S	.	.	H	α-helix	trans	-65.4	-44.6	175.8	-171.9	0	0	0	0	111.3	R96 G97 W98 V102 R103 A104	R96-S100 PolarHBondContact O-N 3.49Å; G97-S100 WeakPolarHBondContact O-CA 3.4Å; G97-S100 VanDerWaalsContact O-CB 3.3Å; G97-S100 WeakPolarHBondContact O-CB 3.13Å; G97-S100 PolarHBondContact O-N 3.37Å; W98-S100 VanDerWaalsContact C-N 3.26Å; W98-S100 PolarHBondContact O-N 2.89Å; S100-V102 PolarHBondContact O-N 2.89Å; S100-R103 PolarHBondContact O-N 2.99Å; S100-A104 WeakPolarHBondContact O-CB 3.38Å; S100-A104 PolarHBondContact O-N 2.88Å
101	D	98	Very high	97.5	Very high	82 Å²	82	62.1 Å²	62.1	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-43.3	179.6	-67.1	-17.7	0	0	0	111.9	K63 G97 W98 A104 T105	K63-D101 HydrophobicContact CD-CB 3.76Å; K63-D101 HydrophobicContact CG-CB 3.86Å; G97-D101 PolarHBondContact O-N 2.72Å; W98-D101 PolarHBondContact O-N 2.66Å; D101-A104 WeakPolarHBondContact O-CB 3.37Å; D101-A104 PolarHBondContact O-N 3.38Å; D101-T105 PolarHBondContact O-N 2.76Å; D101-T105 VanDerWaalsContact O-N 3.14Å; D101-T105 PolarHBondContact O-OG1 3.41Å
102	V	97.9	Very high	97.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-43.9	177.6	172.6	0	0	0	0	111.3	A62 K63 I72 W98 S100 A104 T105 N106 I109 I111	A62-V102 HydrophobicContact CB-CG2 3.86Å; K63-V102 HydrophobicContact CG-CG2 4.17Å; I72-V102 HydrophobicContact CG1-CG1 4.03Å; W98-V102 HydrophobicContact CD2-CG2 4.07Å; W98-V102 HydrophobicContact CG-CG2 4.42Å; W98-V102 HydrophobicContact CZ2-CG2 3.83Å; W98-V102 WeakPolarHBondContact O-CG2 3.41Å; W98-V102 PolarHBondContact O-N 3.01Å; S100-V102 PolarHBondContact O-N 2.89Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.16Å; V102-T105 PolarHBondContact O-N 3.18Å; V102-N106 PolarHBondContact O-N 2.79Å; V102-N106 VanDerWaalsContact O-N 3.14Å; V102-I109 HydrophobicContact CG1-CG1 4.46Å; V102-I109 HydrophobicContact CG1-CG2 4.17Å; V102-I111 HydrophobicContact CG1-CD1 4.04Å
103	R	97.8	Very high	97.7	Very high	63 Å²	63	50.1 Å²	50.1	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-28.8	176	-71.3	-173.5	-174.1	-79.9	10.7	112.5	L99 S100 N106 P107 I109 N150 D152	L99-R103 WeakPolarHBondContact O-CG 3.35Å; L99-R103 PolarHBondContact O-N 3.43Å; L99-R103 VanDerWaalsContact O-N 3.15Å; S100-R103 PolarHBondContact O-N 2.99Å; R103-N106 CarbonylContact O-C 3.17Å; R103-P107 WeakPolarHBondContact O-CA 3.46Å; R103-P107 VanDerWaalsContact O-N 3.16Å; R103-I109 HydrophobicContact CG-CG2 3.95Å; R103-I109 PolarHBondContact NH1-O 2.84Å; R103-I109 VanDerWaalsContact NH1-O 3.16Å; R103-N150 PolarHBondContact NH2-O 3.47Å; R103-D152 IonicContact CZ-OD2 3.27Å; R103-D152 VanDerWaalsContact CZ-OD2 3.27Å; R103-D152 IonicContact NH1-OD1 3.77Å; R103-D152 IonicContact NH1-OD2 2.93Å; R103-D152 PolarHBondContact NH1-OD2 3.23Å; R103-D152 IonicContact NH2-OD1 3.36Å; R103-D152 PolarHBondContact NH2-OD1 2.86Å; R103-D152 IonicContact NH2-OD2 2.71Å; R103-D152 PolarHBondContact NH2-OD2 3.22Å
104	A	97	Very high	97.8	Very high	77 Å²	77	48.7 Å²	48.7	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-67.1	-38.4	174.3	0	0	0	0	0	111.8	S100 D101 V102	S100-A104 WeakPolarHBondContact O-CB 3.38Å; S100-A104 PolarHBondContact O-N 2.88Å; D101-A104 WeakPolarHBondContact O-CB 3.37Å; D101-A104 PolarHBondContact O-N 3.38Å; V102-A104 VanDerWaalsContact C-N 3.29Å; V102-A104 PolarHBondContact O-N 3.16Å
105	T	95.7	Very high	97.8	Very high	59 Å²	59	47.1 Å²	47.1	36%	0.362	27%	0.27	S	S	.	.	H	α-helix	trans	-68.5	-40.5	174.7	-61.9	0	0	0	0	112.4	K63 D101 V102	K63-T105 WeakPolarHBondContact O-CB 3.18Å; K63-T105 VanDerWaalsContact O-CG2 3.27Å; K63-T105 WeakPolarHBondContact O-CG2 3.34Å; K63-T105 PolarHBondContact O-OG1 3.44Å; D101-T105 PolarHBondContact O-N 2.76Å; D101-T105 VanDerWaalsContact O-N 3.14Å; D101-T105 PolarHBondContact O-OG1 3.41Å; V102-T105 PolarHBondContact O-N 3.18Å
106	N	97.2	Very high	97.8	Very high	21 Å²	21	45.2 Å²	45.2	11%	0.112	26%	0.26	C	S	.	.			trans	-138	96.7	179.1	179.9	3	0	0	0	110.5	G66 F69 V102 R103 N108 I109	G66-N106 PolarHBondContact O-ND2 2.86Å; G66-N106 VanDerWaalsContact O-ND2 3.09Å; F69-N106 PolarHBondContact O-ND2 2.8Å; V102-N106 PolarHBondContact O-N 2.79Å; V102-N106 VanDerWaalsContact O-N 3.14Å; R103-N106 CarbonylContact O-C 3.17Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 VanDerWaalsContact O-N 3.1Å; N106-N108 PolarHBondContact OD1-N 2.88Å; N106-N108 VanDerWaalsContact OD1-N 3.14Å; N106-I109 HydrophobicContact CB-CB 4.06Å; N106-I109 VanDerWaalsContact O-CB 3.3Å; N106-I109 WeakPolarHBondContact O-CB 3.23Å; N106-I109 WeakPolarHBondContact O-CG2 3.39Å; N106-I109 PolarHBondContact O-N 2.94Å; N106-I109 PolarHBondContact OD1-N 2.81Å
107	P	96.8	Very high	97.7	Very high	101 Å²	101	37.9 Å²	37.9	66%	0.656	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.2	-178.9	-26.9	35.9	0	0	0	114.8	R103	R103-P107 WeakPolarHBondContact O-CA 3.46Å; R103-P107 VanDerWaalsContact O-N 3.16Å
108	N	96.9	Very high	97.6	Very high	146 Å²	146	39.6 Å²	39.6	78%	0.781	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	4.9	179.2	-62.2	-40.1	0	0	0	112.9	N106	N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 VanDerWaalsContact O-N 3.1Å; N106-N108 PolarHBondContact OD1-N 2.88Å; N106-N108 VanDerWaalsContact OD1-N 3.14Å
109	I	98.2	Very high	97.4	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	24%	0.236	C	C	.	.			trans	-68.6	133.1	-179.7	-162.8	74.3	0	0	0	111	F69 S70 I72 V102 R103 N106 I111	F69-I109 HydrophobicContact CB-CD1 3.89Å; F69-I109 WeakPolarHBondContact O-CD1 3.36Å; S70-I109 VanDerWaalsContact C-CD1 3.46Å; I72-I109 HydrophobicContact CG1-CD1 3.98Å; I72-I109 HydrophobicContact CG1-CG1 3.86Å; V102-I109 HydrophobicContact CG1-CG1 4.46Å; V102-I109 HydrophobicContact CG1-CG2 4.17Å; R103-I109 HydrophobicContact CG-CG2 3.95Å; R103-I109 PolarHBondContact NH1-O 2.84Å; R103-I109 VanDerWaalsContact NH1-O 3.16Å; N106-I109 HydrophobicContact CB-CB 4.06Å; N106-I109 VanDerWaalsContact O-CB 3.3Å; N106-I109 WeakPolarHBondContact O-CB 3.23Å; N106-I109 WeakPolarHBondContact O-CG2 3.39Å; N106-I109 PolarHBondContact O-N 2.94Å; N106-I109 PolarHBondContact OD1-N 2.81Å; I109-I111 HydrophobicContact CG1-CD1 4.36Å; I109-I111 HydrophobicContact CG2-CD1 4.06Å
110	S	98.6	Very high	97.1	Very high	36 Å²	36	46.6 Å²	46.6	25%	0.252	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.9	170.2	-66.7	0	0	0	0	110.4	S70 H71 I72 D152	S70-S110 PolarHBondContact O-N 3.36Å; H71-S110 CarbonylContact C-O 3.51Å; H71-S110 VanDerWaalsContact CA-O 3.25Å; H71-S110 WeakPolarHBondContact CA-O 3.46Å; H71-S110 WeakPolarHBondContact CD2-CB 3.47Å; I72-S110 PolarHBondContact N-O 2.95Å; S110-D152 WeakPolarHBondContact CA-OD2 3.42Å
111	I	98.7	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.6	172.4	-53.9	-56.4	0	0	0	108.6	I72 P74 L99 V102 I109 P113 F151 D152	I72-I111 HydrophobicContact CB-CD1 3.95Å; P74-I111 HydrophobicContact CG-CG2 4.29Å; L99-I111 HydrophobicContact CD2-CB 4.49Å; L99-I111 HydrophobicContact CD2-CD1 4.43Å; L99-I111 HydrophobicContact CD2-CG1 4.2Å; L99-I111 HydrophobicContact CD2-CG2 3.62Å; V102-I111 HydrophobicContact CG1-CD1 4.04Å; I109-I111 HydrophobicContact CG1-CD1 4.36Å; I109-I111 HydrophobicContact CG2-CD1 4.06Å; I111-P113 HydrophobicContact CG2-CG 4.29Å; I111-F151 HydrophobicContact CG2-CD1 3.82Å; I111-F151 HydrophobicContact CG2-CE1 4.26Å; I111-D152 PolarHBondContact N-OD2 3.09Å; I111-D152 PolarHBondContact O-N 3.41Å
112	V	98.8	Very high	96.3	Very high	13 Å²	13	46.6 Å²	46.6	8%	0.079	25%	0.249	C	C	.	.			trans	-126.5	75.9	-173.6	-68.9	0	0	0	0	111.2	L48 H71 I72 S73 V155	L48-V112 HydrophobicContact CD1-CG2 4Å; H71-V112 HydrophobicContact CB-CG2 3.92Å; I72-V112 PolarHBondContact O-N 3.33Å; S73-V112 WeakPolarHBondContact CA-O 3.36Å; S73-V112 VanDerWaalsContact CB-O 3.26Å; S73-V112 WeakPolarHBondContact CB-O 3.49Å; S73-V112 PolarHBondContact OG-O 2.81Å; V112-V155 HydrophobicContact CG2-CG2 4.17Å
113	P	98.8	Very high	96	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.			trans	-57.5	147.3	-174.9	-23.5	35.3	0	0	0	113.4	P74 F77 I111 F115 F151 G153 V154 V155	P74-P113 HydrophobicContact CG-CG 4.46Å; P74-P113 WeakPolarHBondContact O-CA 3.49Å; F77-P113 HydrophobicContact CD2-CB 3.63Å; F77-P113 HydrophobicContact CE2-CB 3.48Å; F77-P113 VanDerWaalsContact CE2-CB 3.48Å; F77-P113 HydrophobicContact CE2-CG 3.96Å; I111-P113 HydrophobicContact CG2-CG 4.29Å; P113-F115 HydrophobicContact CB-CE2 4.2Å; P113-F115 WeakPolarHBondContact O-CD2 3.37Å; P113-F151 HydrophobicContact CG-CB 4.33Å; P113-F151 HydrophobicContact CG-CD1 3.64Å; P113-F151 HydrophobicContact CG-CD2 3.77Å; P113-F151 HydrophobicContact CG-CE1 3.77Å; P113-F151 HydrophobicContact CG-CE2 3.9Å; P113-F151 HydrophobicContact CG-CG 3.65Å; P113-F151 HydrophobicContact CG-CZ 3.91Å; P113-G153 WeakPolarHBondContact CD-O 3.39Å; P113-V154 WeakPolarHBondContact O-CA 3.4Å; P113-V155 PolarHBondContact O-N 3.27Å
114	R	98.7	Very high	95.6	Very high	23 Å²	23	50.7 Å²	50.7	9%	0.087	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.1	179.3	-168	-140	69.6	152.4	-10.7	110.4	F50 S73 P74 V75 F77 V155 E157	F50-R114 HydrophobicContact CE1-CB 4.32Å; F50-R114 HydrophobicContact CE1-CG 4.26Å; S73-R114 PolarHBondContact OG-N 2.93Å; P74-R114 PolarHBondContact O-N 3.49Å; V75-R114 HydrophobicContact CG2-CB 4.44Å; F77-R114 PolarHBondContact N-O 3.17Å; F77-R114 PolarHBondContact O-NH2 3.39Å; R114-V155 CarbonylContact C-O 3.52Å; R114-V155 VanDerWaalsContact CA-O 3.3Å; R114-V155 WeakPolarHBondContact CA-O 3.49Å; R114-V155 HydrophobicContact CB-CB 4.28Å; R114-V155 HydrophobicContact CG-CB 4.24Å; R114-V155 HydrophobicContact CG-CG1 4.02Å; R114-E157 WeakPolarHBondContact CD-OE2 3.3Å; R114-E157 IonicContact CZ-OE2 3.69Å; R114-E157 IonicContact NE-OE2 3.88Å; R114-E157 IonicContact NH1-OE2 3.88Å; R114-E157 PolarHBondContact NH1-OE2 3.35Å
115	F	98.2	Very high	95.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111	171.2	-72.1	-99.4	0	0	0	109.2	F77 I88 P113 L142 F145 V146 V154 V155 F156 E157	F77-F115 HydrophobicContact CB-CD1 3.48Å; F77-F115 VanDerWaalsContact CB-CD1 3.48Å; F77-F115 HydrophobicContact CB-CD2 4.44Å; F77-F115 HydrophobicContact CB-CE1 3.47Å; F77-F115 VanDerWaalsContact CB-CE1 3.47Å; F77-F115 HydrophobicContact CB-CE2 4.43Å; F77-F115 HydrophobicContact CB-CG 4Å; F77-F115 HydrophobicContact CB-CZ 3.97Å; F77-F115 HydrophobicContact CD2-CD1 4.38Å; F77-F115 HydrophobicContact CD2-CD2 4.25Å; F77-F115 AromaticContact CD2-CE1 3.76Å; F77-F115 HydrophobicContact CD2-CE1 3.76Å; F77-F115 AromaticContact CD2-CE2 3.6Å; F77-F115 HydrophobicContact CD2-CE2 3.6Å; F77-F115 AromaticContact CD2-CZ 3.32Å; F77-F115 HydrophobicContact CD2-CZ 3.32Å; F77-F115 HydrophobicContact CE2-CE2 4.28Å; F77-F115 AromaticContact CE2-CZ 3.96Å; F77-F115 HydrophobicContact CE2-CZ 3.96Å; F77-F115 HydrophobicContact CG-CD1 4.23Å; F77-F115 AromaticContact CG-CE1 3.72Å; F77-F115 HydrophobicContact CG-CE1 3.72Å; F77-F115 HydrophobicContact CG-CE2 4.37Å; F77-F115 AromaticContact CG-CZ 3.8Å; F77-F115 HydrophobicContact CG-CZ 3.8Å; I88-F115 HydrophobicContact CD1-CE1 4.12Å; I88-F115 HydrophobicContact CG1-CE1 4.3Å; I88-F115 HydrophobicContact CG2-CE1 3.85Å; P113-F115 HydrophobicContact CB-CE2 4.2Å; P113-F115 WeakPolarHBondContact O-CD2 3.37Å; F115-L142 HydrophobicContact CD1-CD1 3.5Å; F115-L142 VanDerWaalsContact CD1-CD1 3.5Å; F115-L142 HydrophobicContact CD2-CD1 4Å; F115-L142 HydrophobicContact CE1-CD1 3.32Å; F115-L142 HydrophobicContact CE2-CD1 3.86Å; F115-L142 HydrophobicContact CG-CD1 3.84Å; F115-L142 HydrophobicContact CZ-CD1 3.52Å; F115-F145 HydrophobicContact CE1-CD1 4.18Å; F115-F145 HydrophobicContact CE1-CE1 4.22Å; F115-F145 AromaticContact CZ-CD1 3.78Å; F115-F145 HydrophobicContact CZ-CD1 3.78Å; F115-F145 AromaticContact CZ-CE1 3.8Å; F115-F145 HydrophobicContact CZ-CE1 3.8Å; F115-V146 HydrophobicContact CE2-CG2 4.47Å; F115-V154 HydrophobicContact CD2-CB 4.06Å; F115-V154 HydrophobicContact CD2-CG1 3.81Å; F115-V154 HydrophobicContact CE2-CB 4.41Å; F115-V154 HydrophobicContact CE2-CG1 3.71Å; F115-V155 PolarHBondContact N-O 2.9Å; F115-F156 HydrophobicContact CB-CD2 4.07Å; F115-F156 HydrophobicContact CB-CE2 4.47Å; F115-E157 PolarHBondContact O-N 3.28Å
116	L	97.4	Very high	95.2	Very high	33 Å²	33	46 Å²	46	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.5	169.7	170.6	65.8	0	0	0	110.2	F77 R78 L79 E118 E157 Q161	F77-L116 PolarHBondContact O-N 2.72Å; R78-L116 CarbonylContact C-O 3.59Å; R78-L116 VanDerWaalsContact CA-O 3.29Å; R78-L116 WeakPolarHBondContact CA-O 3.49Å; R78-L116 HydrophobicContact CG-CB 4.45Å; L79-L116 PolarHBondContact N-O 2.88Å; L116-E118 PolarHBondContact O-N 2.93Å; L116-E157 HydrophobicContact CD1-CB 4.39Å; L116-E157 HydrophobicContact CD1-CG 4.26Å; L116-Q161 VanDerWaalsContact CD1-CD 3.49Å; L116-Q161 HydrophobicContact CD1-CG 3.83Å
117	V	96	Very high	94.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	115.8	168.1	-176.9	0	0	0	0	108.7	L79 P81 Y119 F128 F156 E157 V158 Q161	L79-V117 HydrophobicContact CD2-CG2 4.37Å; L79-V117 WeakPolarHBondContact O-CA 3.38Å; P81-V117 HydrophobicContact CG-CG1 4.14Å; V117-Y119 HydrophobicContact CG1-CD1 4.22Å; V117-Y119 HydrophobicContact CG1-CE1 3.58Å; V117-Y119 HydrophobicContact CG1-CE2 4.06Å; V117-Y119 VanDerWaalsContact CG1-CZ 3.49Å; V117-F128 HydrophobicContact CG1-CE1 4.29Å; V117-F156 HydrophobicContact CG2-CE1 3.94Å; V117-F156 HydrophobicContact CG2-CE2 3.64Å; V117-F156 HydrophobicContact CG2-CZ 3.27Å; V117-E157 PolarHBondContact N-O 3.19Å; V117-V158 HydrophobicContact CB-CB 4.32Å; V117-V158 HydrophobicContact CB-CG2 4.12Å; V117-V158 HydrophobicContact CG1-CG2 4.49Å; V117-V158 HydrophobicContact CG2-CB 3.7Å; V117-V158 HydrophobicContact CG2-CG2 3.68Å; V117-Q161 WeakPolarHBondContact O-CG 3.47Å
118	E	95.2	Very high	94.8	Very high	76 Å²	76	42.5 Å²	42.5	36%	0.355	21%	0.209	S	C	.	.			trans	-115.4	113.7	178.8	-175.9	174.5	-133.7	0	0	109.7	R78 L79 V80 P81 L116	R78-E118 VanDerWaalsContact CD-OE2 3.32Å; R78-E118 WeakPolarHBondContact CD-OE2 3.45Å; R78-E118 IonicContact CZ-OE2 3.59Å; R78-E118 IonicContact NE-OE2 3.82Å; R78-E118 IonicContact NH1-OE1 3.82Å; R78-E118 IonicContact NH1-OE2 3.86Å; R78-E118 PolarHBondContact NH1-OE2 3.45Å; L79-E118 PolarHBondContact O-N 2.65Å; V80-E118 HydrophobicContact CG2-CB 4.46Å; P81-E118 VanDerWaalsContact CD-O 3.26Å; P81-E118 WeakPolarHBondContact CD-O 3.32Å; L116-E118 PolarHBondContact O-N 2.93Å
119	Y	93.6	Very high	94.4	Very high	40 Å²	40	36.5 Å²	36.5	16%	0.157	18%	0.178	C	C	.	.			trans	-86.9	131.9	177	-57.4	-63.2	0	0	0	110.4	P81 V117 A125 F128 Q161 T162 I165	P81-Y119 HydrophobicContact CG-CD1 4.04Å; P81-Y119 HydrophobicContact CG-CE1 3.96Å; V117-Y119 HydrophobicContact CG1-CD1 4.22Å; V117-Y119 HydrophobicContact CG1-CE1 3.58Å; V117-Y119 HydrophobicContact CG1-CE2 4.06Å; V117-Y119 VanDerWaalsContact CG1-CZ 3.49Å; Y119-A125 VanDerWaalsContact CD1-CA 3.47Å; Y119-A125 HydrophobicContact CD1-CB 3.76Å; Y119-A125 HydrophobicContact CD2-CB 4.17Å; Y119-A125 HydrophobicContact CE1-CB 4.27Å; Y119-A125 HydrophobicContact CG-CB 3.69Å; Y119-F128 HydrophobicContact CE1-CB 4.16Å; Y119-F128 AromaticContact CE1-CD1 3.73Å; Y119-F128 HydrophobicContact CE1-CD1 3.73Å; Y119-F128 HydrophobicContact CE1-CG 4.19Å; Y119-Q161 HydrophobicContact CD2-CB 4.38Å; Y119-Q161 HydrophobicContact CE2-CB 4.01Å; Y119-T162 PolarHBondContact OH-OG1 2.64Å; Y119-I165 HydrophobicContact CD2-CD1 3.42Å; Y119-I165 VanDerWaalsContact CD2-CD1 3.42Å; Y119-I165 HydrophobicContact CE2-CD1 3.32Å; Y119-I165 HydrophobicContact CG-CD1 4.15Å
120	R	91.1	Very high	94	Very high	130 Å²	130	39.7 Å²	39.7	49%	0.491	20%	0.201	S	C	.	.	S	Bend	trans	-74.7	-35.9	177.6	-63.6	-169.1	-66.2	-149.5	6	111.9	V80	V80-R120 HydrophobicContact CG1-CG 3.7Å
121	D	91.1	Very high	93.7	Very high	79 Å²	79	40.6 Å²	40.6	42%	0.422	20%	0.203	S	C	.	.	S	Bend	trans	-157.3	175.5	-178.1	50.2	50.3	0	0	0	110.3	E123 S124 A125	D121-E123 VanDerWaalsContact C-N 3.28Å; D121-E123 PolarHBondContact O-N 2.94Å; D121-E123 PolarHBondContact OD1-N 3.3Å; D121-S124 PolarHBondContact N-OG 3.07Å; D121-S124 PolarHBondContact O-OG 3.46Å; D121-S124 VanDerWaalsContact OD1-CB 3.27Å; D121-S124 WeakPolarHBondContact OD1-CB 3.05Å; D121-S124 PolarHBondContact OD1-N 3.25Å; D121-S124 PolarHBondContact OD1-OG 3.26Å; D121-A125 VanDerWaalsContact O-CB 3.29Å; D121-A125 WeakPolarHBondContact O-CB 3.18Å; D121-A125 PolarHBondContact O-N 3.41Å; D121-A125 VanDerWaalsContact O-N 3.16Å
122	L	89.2	Confident	93.3	Very high	79 Å²	79	47 Å²	47	41%	0.414	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-30.5	178.6	-177.9	61.5	0	0	0	112.3	A125 V126 I165	L122-A125 WeakPolarHBondContact O-CB 3.31Å; L122-V126 HydrophobicContact CD1-CG2 3.93Å; L122-V126 HydrophobicContact CG-CG2 4.18Å; L122-V126 WeakPolarHBondContact O-CB 3.04Å; L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 2.81Å; L122-I165 HydrophobicContact CD1-CG1 4.41Å
123	E	90.8	Very high	93	Very high	149 Å²	149	54.7 Å²	54.7	70%	0.696	27%	0.265	S	S	*	.	H	α-helix	trans	-69	-52.2	-177.2	-177.6	171.2	-174.6	0	0	111.1	D121 A125 V126 N127	D121-E123 VanDerWaalsContact C-N 3.28Å; D121-E123 PolarHBondContact O-N 2.94Å; D121-E123 PolarHBondContact OD1-N 3.3Å; E123-A125 VanDerWaalsContact C-N 3.28Å; E123-A125 PolarHBondContact O-N 3.14Å; E123-V126 PolarHBondContact O-N 3.18Å; E123-N127 WeakPolarHBondContact O-CB 3.16Å; E123-N127 PolarHBondContact O-N 2.89Å
124	S	90.2	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-39.3	173.3	55.3	0	0	0	0	111.9	D121 F128	D121-S124 PolarHBondContact N-OG 3.07Å; D121-S124 PolarHBondContact O-OG 3.46Å; D121-S124 VanDerWaalsContact OD1-CB 3.27Å; D121-S124 WeakPolarHBondContact OD1-CB 3.05Å; D121-S124 PolarHBondContact OD1-N 3.25Å; D121-S124 PolarHBondContact OD1-OG 3.26Å; S124-F128 VanDerWaalsContact O-CB 3.26Å; S124-F128 WeakPolarHBondContact O-CB 3.21Å; S124-F128 PolarHBondContact O-N 2.9Å
125	A	91.6	Very high	92.5	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-55	171.5	0	0	0	0	0	112.9	Y119 D121 L122 E123 N127 F128 V129 I165	Y119-A125 VanDerWaalsContact CD1-CA 3.47Å; Y119-A125 HydrophobicContact CD1-CB 3.76Å; Y119-A125 HydrophobicContact CD2-CB 4.17Å; Y119-A125 HydrophobicContact CE1-CB 4.27Å; Y119-A125 HydrophobicContact CG-CB 3.69Å; D121-A125 VanDerWaalsContact O-CB 3.29Å; D121-A125 WeakPolarHBondContact O-CB 3.18Å; D121-A125 PolarHBondContact O-N 3.41Å; D121-A125 VanDerWaalsContact O-N 3.16Å; L122-A125 WeakPolarHBondContact O-CB 3.31Å; E123-A125 VanDerWaalsContact C-N 3.28Å; E123-A125 PolarHBondContact O-N 3.14Å; A125-N127 VanDerWaalsContact C-N 3.34Å; A125-N127 PolarHBondContact O-N 2.94Å; A125-F128 PolarHBondContact O-N 3.4Å; A125-V129 WeakPolarHBondContact O-CB 3.45Å; A125-V129 WeakPolarHBondContact O-CG2 3.19Å; A125-V129 PolarHBondContact O-N 3.36Å; A125-I165 HydrophobicContact CB-CD1 3.34Å; A125-I165 HydrophobicContact CB-CG1 3.85Å; A125-I165 HydrophobicContact CB-CG2 4.23Å
126	V	91.8	Very high	92.3	Very high	35 Å²	35	60.3 Å²	60.3	21%	0.212	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-42	-178.3	171.1	0	0	0	0	111	L122 E123 V129 S130 I165 Q169	L122-V126 HydrophobicContact CD1-CG2 3.93Å; L122-V126 HydrophobicContact CG-CG2 4.18Å; L122-V126 WeakPolarHBondContact O-CB 3.04Å; L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 2.81Å; E123-V126 PolarHBondContact O-N 3.18Å; V126-V129 PolarHBondContact O-N 2.77Å; V126-S130 VanDerWaalsContact O-CB 3.25Å; V126-S130 WeakPolarHBondContact O-CB 3.21Å; V126-S130 PolarHBondContact O-N 2.95Å; V126-S130 PolarHBondContact O-OG 3.44Å; V126-I165 HydrophobicContact CG2-CG2 3.98Å; V126-Q169 HydrophobicContact CG1-CG 4.33Å; V126-Q169 HydrophobicContact CG2-CG 3.73Å
127	N	92.1	Very high	92.1	Very high	39 Å²	39	63.6 Å²	63.6	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-52.1	175.9	-174.6	36	0	0	0	110.5	D83 E123 A125 V129 S130 N131	D83-N127 PolarHBondContact O-ND2 3.45Å; E123-N127 WeakPolarHBondContact O-CB 3.16Å; E123-N127 PolarHBondContact O-N 2.89Å; A125-N127 VanDerWaalsContact C-N 3.34Å; A125-N127 PolarHBondContact O-N 2.94Å; N127-V129 VanDerWaalsContact C-N 3.34Å; N127-V129 PolarHBondContact O-N 3.38Å; N127-S130 PolarHBondContact O-N 2.82Å; N127-N131 WeakPolarHBondContact O-CA 3.41Å; N127-N131 WeakPolarHBondContact O-CB 3.5Å; N127-N131 PolarHBondContact O-N 3.42Å; N127-N131 WeakPolarHBondContact OD1-CB 3.41Å; N127-N131 PolarHBondContact OD1-ND2 2.68Å
128	F	92.9	Very high	92.1	Very high	11 Å²	11	63.6 Å²	63.6	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-42.8	178.5	179.6	-99.2	0	0	0	112.8	L79 P81 V117 Y119 S124 A125 S130 V134 Q135 C138	L79-F128 HydrophobicContact CD2-CZ 4.4Å; P81-F128 HydrophobicContact CB-CB 3.7Å; P81-F128 HydrophobicContact CB-CD2 3.66Å; P81-F128 HydrophobicContact CB-CE2 4.49Å; P81-F128 HydrophobicContact CB-CG 3.79Å; P81-F128 HydrophobicContact CG-CB 4Å; P81-F128 HydrophobicContact CG-CD1 4.15Å; P81-F128 HydrophobicContact CG-CD2 3.58Å; P81-F128 HydrophobicContact CG-CE2 4.06Å; P81-F128 HydrophobicContact CG-CG 3.63Å; V117-F128 HydrophobicContact CG1-CE1 4.29Å; Y119-F128 HydrophobicContact CE1-CB 4.16Å; Y119-F128 AromaticContact CE1-CD1 3.73Å; Y119-F128 HydrophobicContact CE1-CD1 3.73Å; Y119-F128 HydrophobicContact CE1-CG 4.19Å; S124-F128 VanDerWaalsContact O-CB 3.26Å; S124-F128 WeakPolarHBondContact O-CB 3.21Å; S124-F128 PolarHBondContact O-N 2.9Å; A125-F128 PolarHBondContact O-N 3.4Å; F128-S130 PolarHBondContact O-N 3.45Å; F128-V134 HydrophobicContact CD2-CG1 4.2Å; F128-Q135 WeakPolarHBondContact O-CG 3.5Å; F128-Q135 PolarHBondContact O-NE2 3.44Å; F128-C138 HydrophobicContact CE2-CB 3.93Å
129	V	90	Very high	92	Very high	20 Å²	20	63.8 Å²	63.8	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-73	-28	-176.8	176.4	0	0	0	0	112.4	A125 V126 N127 Q135 T162 I165 M166 M171	A125-V129 WeakPolarHBondContact O-CB 3.45Å; A125-V129 WeakPolarHBondContact O-CG2 3.19Å; A125-V129 PolarHBondContact O-N 3.36Å; V126-V129 PolarHBondContact O-N 2.77Å; N127-V129 VanDerWaalsContact C-N 3.34Å; N127-V129 PolarHBondContact O-N 3.38Å; V129-Q135 PolarHBondContact O-NE2 2.81Å; V129-T162 HydrophobicContact CG1-CG2 4.2Å; V129-T162 HydrophobicContact CG2-CG2 3.56Å; V129-I165 HydrophobicContact CG2-CG2 4.36Å; V129-M166 HydrophobicContact CG1-CG 4.09Å; V129-M171 HydrophobicContact CG1-CE 4.01Å; V129-M171 HydrophobicContact CG1-SD 3.68Å
130	S	89.1	Confident	92.2	Very high	70 Å²	70	69.6 Å²	69.6	49%	0.49	33%	0.33	S	S	.	.	H	α-helix	trans	-107.9	-15.4	-172.2	-46.5	0	0	0	0	114.3	V126 N127 F128	V126-S130 VanDerWaalsContact O-CB 3.25Å; V126-S130 WeakPolarHBondContact O-CB 3.21Å; V126-S130 PolarHBondContact O-N 2.95Å; V126-S130 PolarHBondContact O-OG 3.44Å; N127-S130 PolarHBondContact O-N 2.82Å; F128-S130 PolarHBondContact O-N 3.45Å
131	N	91.6	Very high	92.4	Very high	55 Å²	55	65.8 Å²	65.8	29%	0.294	32%	0.318	S	S	.	.			trans	-106.8	99.6	-172.7	-169.8	-22.1	0	0	0	111.7	N127 K133 V134 Q135	N127-N131 WeakPolarHBondContact O-CA 3.41Å; N127-N131 WeakPolarHBondContact O-CB 3.5Å; N127-N131 PolarHBondContact O-N 3.42Å; N127-N131 WeakPolarHBondContact OD1-CB 3.41Å; N127-N131 PolarHBondContact OD1-ND2 2.68Å; N131-K133 PolarHBondContact O-N 2.97Å; N131-K133 VanDerWaalsContact O-N 3.17Å; N131-K133 WeakPolarHBondContact OD1-CB 3.32Å; N131-K133 PolarHBondContact OD1-N 3.24Å; N131-K133 VanDerWaalsContact OD1-N 3.11Å; N131-V134 HydrophobicContact CB-CB 4.11Å; N131-V134 HydrophobicContact CB-CG2 4Å; N131-V134 WeakPolarHBondContact ND2-CG2 3.1Å; N131-V134 PolarHBondContact O-N 2.69Å; N131-V134 PolarHBondContact OD1-N 3.07Å; N131-Q135 WeakPolarHBondContact O-CG 3.36Å; N131-Q135 PolarHBondContact O-N 3.04Å
132	E	91.8	Very high	92.7	Very high	135 Å²	135	62.4 Å²	62.4	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-56.8	-32.4	179.5	-162.8	-166	153.7	0	0	112.9	Q135 N136	E132-Q135 PolarHBondContact O-N 3.36Å; E132-N136 VanDerWaalsContact O-CB 3.3Å; E132-N136 WeakPolarHBondContact O-CB 3.06Å; E132-N136 VanDerWaalsContact O-CG 3.29Å; E132-N136 PolarHBondContact O-N 3.3Å; E132-N136 PolarHBondContact O-ND2 2.9Å
133	K	92.7	Very high	93	Very high	173 Å²	173	62.1 Å²	62.1	75%	0.752	30%	0.302	S	S	*	.	H	α-helix	trans	-67.7	-40.7	178.1	-66.1	-180	179.2	176	0	111.5	N131 K137	N131-K133 PolarHBondContact O-N 2.97Å; N131-K133 VanDerWaalsContact O-N 3.17Å; N131-K133 WeakPolarHBondContact OD1-CB 3.32Å; N131-K133 PolarHBondContact OD1-N 3.24Å; N131-K133 VanDerWaalsContact OD1-N 3.11Å; K133-K137 WeakPolarHBondContact O-CB 3.26Å; K133-K137 PolarHBondContact O-N 3.27Å; K133-K137 VanDerWaalsContact O-N 3.09Å
134	V	92.8	Very high	93.4	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-47.7	175.7	174	0	0	0	0	109.3	F128 N131 N136 K137 C138	F128-V134 HydrophobicContact CD2-CG1 4.2Å; N131-V134 HydrophobicContact CB-CB 4.11Å; N131-V134 HydrophobicContact CB-CG2 4Å; N131-V134 WeakPolarHBondContact ND2-CG2 3.1Å; N131-V134 PolarHBondContact O-N 2.69Å; N131-V134 PolarHBondContact OD1-N 3.07Å; V134-N136 PolarHBondContact O-N 2.77Å; V134-K137 PolarHBondContact O-N 3.36Å; V134-K137 VanDerWaalsContact O-N 3.16Å; V134-C138 WeakPolarHBondContact O-CB 3.42Å; V134-C138 PolarHBondContact O-N 2.85Å; V134-C138 PolarHBondContact O-SG 2.94Å
135	Q	93.2	Very high	93.8	Very high	51 Å²	51	60 Å²	60	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-54.2	-52.2	175.8	-67.4	171	-0.8	0	0	111.8	F128 V129 N131 E132 K137 C138 F139	F128-Q135 WeakPolarHBondContact O-CG 3.5Å; F128-Q135 PolarHBondContact O-NE2 3.44Å; V129-Q135 PolarHBondContact O-NE2 2.81Å; N131-Q135 WeakPolarHBondContact O-CG 3.36Å; N131-Q135 PolarHBondContact O-N 3.04Å; E132-Q135 PolarHBondContact O-N 3.36Å; Q135-K137 VanDerWaalsContact C-N 3.29Å; Q135-K137 PolarHBondContact O-N 3.06Å; Q135-C138 PolarHBondContact O-N 2.85Å; Q135-C138 VanDerWaalsContact O-N 3.16Å; Q135-F139 HydrophobicContact CB-CD2 4.21Å; Q135-F139 HydrophobicContact CB-CE2 4.17Å; Q135-F139 WeakPolarHBondContact O-CD2 3.1Å; Q135-F139 PolarHBondContact O-N 3.07Å
136	N	93.9	Very high	94.1	Very high	83 Å²	83	60.9 Å²	60.9	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-38.6	179.6	-79.2	-34.1	0	0	0	112.6	E132 V134 R140	E132-N136 VanDerWaalsContact O-CB 3.3Å; E132-N136 WeakPolarHBondContact O-CB 3.06Å; E132-N136 VanDerWaalsContact O-CG 3.29Å; E132-N136 PolarHBondContact O-N 3.3Å; E132-N136 PolarHBondContact O-ND2 2.9Å; V134-N136 PolarHBondContact O-N 2.77Å; N136-R140 VanDerWaalsContact O-CB 3.27Å; N136-R140 WeakPolarHBondContact O-CB 3.47Å; N136-R140 PolarHBondContact O-N 3.36Å
137	K	93.8	Very high	94.4	Very high	101 Å²	101	65.7 Å²	65.7	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-68.3	-44	176.3	-170.1	176.1	174	-172.7	0	111.6	V84 D85 K133 V134 Q135 R140 M141	V84-K137 VanDerWaalsContact O-CD 3.25Å; V84-K137 WeakPolarHBondContact O-CD 3.36Å; V84-K137 WeakPolarHBondContact O-CE 3.39Å; V84-K137 PolarHBondContact O-NZ 3.34Å; D85-K137 HydrophobicContact CB-CD 4.32Å; K133-K137 WeakPolarHBondContact O-CB 3.26Å; K133-K137 PolarHBondContact O-N 3.27Å; K133-K137 VanDerWaalsContact O-N 3.09Å; V134-K137 PolarHBondContact O-N 3.36Å; V134-K137 VanDerWaalsContact O-N 3.16Å; Q135-K137 VanDerWaalsContact C-N 3.29Å; Q135-K137 PolarHBondContact O-N 3.06Å; K137-R140 PolarHBondContact O-N 2.84Å; K137-M141 PolarHBondContact O-N 3.38Å
138	C	95.1	Very high	94.6	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-46.1	177.7	-65.3	0	0	0	0	112.3	C86 F128 V134 Q135 M141 L142	C86-C138 HydrophobicContact CB-CB 3.68Å; C86-C138 WeakPolarHBondContact CB-SG 3.29Å; C86-C138 WeakPolarHBondContact SG-CB 3.46Å; C86-C138 CovalentContact SG-SG 2.01Å; C86-C138 PolarHBondContact SG-SG 3.09Å; F128-C138 HydrophobicContact CE2-CB 3.93Å; V134-C138 WeakPolarHBondContact O-CB 3.42Å; V134-C138 PolarHBondContact O-N 2.85Å; V134-C138 PolarHBondContact O-SG 2.94Å; Q135-C138 PolarHBondContact O-N 2.85Å; Q135-C138 VanDerWaalsContact O-N 3.16Å; C138-M141 PolarHBondContact O-N 3.12Å; C138-L142 WeakPolarHBondContact O-CB 3.33Å; C138-L142 PolarHBondContact O-N 3Å
139	F	94.6	Very high	94.9	Very high	81 Å²	81	72.8 Å²	72.8	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-68.8	-35.1	177.8	-72.6	-60.6	0	0	0	112.2	Q135 L142 T143 F156	Q135-F139 HydrophobicContact CB-CD2 4.21Å; Q135-F139 HydrophobicContact CB-CE2 4.17Å; Q135-F139 WeakPolarHBondContact O-CD2 3.1Å; Q135-F139 PolarHBondContact O-N 3.07Å; F139-L142 HydrophobicContact CD1-CD2 4.27Å; F139-L142 PolarHBondContact O-N 2.99Å; F139-T143 PolarHBondContact O-N 2.79Å; F139-T143 PolarHBondContact O-OG1 2.68Å; F139-F156 AromaticContact CE1-CE1 3.97Å; F139-F156 HydrophobicContact CE1-CE1 3.97Å; F139-F156 HydrophobicContact CE1-CE2 4.42Å; F139-F156 AromaticContact CE1-CZ 3.85Å; F139-F156 HydrophobicContact CE1-CZ 3.85Å; F139-F156 HydrophobicContact CZ-CE1 4.07Å; F139-F156 HydrophobicContact CZ-CZ 4.16Å
140	R	96	Very high	95.2	Very high	161 Å²	161	77.4 Å²	77.4	61%	0.608	37%	0.366	S	S	*	.	H	α-helix	trans	-60.5	-49.5	171.8	-175.4	-179.8	-59.5	154.1	4	111.6	N136 K137 L142 T143 E144	N136-R140 VanDerWaalsContact O-CB 3.27Å; N136-R140 WeakPolarHBondContact O-CB 3.47Å; N136-R140 PolarHBondContact O-N 3.36Å; K137-R140 PolarHBondContact O-N 2.84Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.34Å; R140-T143 PolarHBondContact O-N 3.26Å; R140-E144 WeakPolarHBondContact CG-OE1 3.31Å; R140-E144 WeakPolarHBondContact O-CB 3.45Å; R140-E144 WeakPolarHBondContact O-CG 3.03Å; R140-E144 PolarHBondContact O-N 2.9Å
141	M	96	Very high	95.6	Very high	50 Å²	50	74.7 Å²	74.7	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-57.8	-43.9	175.9	177.4	-161	62.1	0	0	111.5	L79 C86 I88 K137 C138 E144 F145	L79-M141 HydrophobicContact CD1-CE 3.47Å; L79-M141 VanDerWaalsContact CD1-CE 3.47Å; C86-M141 HydrophobicContact CB-CE 3.46Å; C86-M141 VanDerWaalsContact CB-CE 3.46Å; C86-M141 HydrophobicContact CB-SD 4.43Å; I88-M141 HydrophobicContact CD1-CE 3.92Å; I88-M141 HydrophobicContact CD1-CG 4.38Å; I88-M141 HydrophobicContact CD1-SD 4.42Å; I88-M141 HydrophobicContact CG1-CE 3.61Å; I88-M141 HydrophobicContact CG1-SD 4.28Å; K137-M141 PolarHBondContact O-N 3.38Å; C138-M141 PolarHBondContact O-N 3.12Å; M141-E144 PolarHBondContact O-N 2.65Å; M141-F145 WeakPolarHBondContact O-CB 3.04Å; M141-F145 PolarHBondContact O-N 2.83Å
142	L	97	Very high	95.9	Very high	8 Å²	8	76 Å²	76	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-48.6	177.3	179.7	61.3	0	0	0	111.6	I88 F115 C138 F139 R140 E144 F145 V146 V154 F156	I88-L142 HydrophobicContact CD1-CD1 4.33Å; F115-L142 HydrophobicContact CD1-CD1 3.5Å; F115-L142 VanDerWaalsContact CD1-CD1 3.5Å; F115-L142 HydrophobicContact CD2-CD1 4Å; F115-L142 HydrophobicContact CE1-CD1 3.32Å; F115-L142 HydrophobicContact CE2-CD1 3.86Å; F115-L142 HydrophobicContact CG-CD1 3.84Å; F115-L142 HydrophobicContact CZ-CD1 3.52Å; C138-L142 WeakPolarHBondContact O-CB 3.33Å; C138-L142 PolarHBondContact O-N 3Å; F139-L142 HydrophobicContact CD1-CD2 4.27Å; F139-L142 PolarHBondContact O-N 2.99Å; R140-L142 VanDerWaalsContact C-N 3.3Å; R140-L142 PolarHBondContact O-N 3.34Å; L142-E144 PolarHBondContact O-N 2.88Å; L142-F145 WeakPolarHBondContact O-CB 3.41Å; L142-F145 PolarHBondContact O-N 2.86Å; L142-V146 HydrophobicContact CD1-CG2 4.28Å; L142-V146 VanDerWaalsContact O-CG2 3.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.46Å; L142-V146 PolarHBondContact O-N 2.84Å; L142-V154 HydrophobicContact CD1-CG1 4.46Å; L142-F156 HydrophobicContact CD2-CD2 4.33Å; L142-F156 HydrophobicContact CD2-CE2 4.27Å
143	T	97.1	Very high	96.2	Very high	74 Å²	74	70.6 Å²	70.6	45%	0.454	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-43.5	179.9	-51.6	0	0	0	0	111.6	F139 R140 F145 V146 Q147	F139-T143 PolarHBondContact O-N 2.79Å; F139-T143 PolarHBondContact O-OG1 2.68Å; R140-T143 PolarHBondContact O-N 3.26Å; T143-F145 VanDerWaalsContact C-N 3.3Å; T143-F145 PolarHBondContact O-N 2.65Å; T143-V146 PolarHBondContact O-N 3.12Å; T143-Q147 WeakPolarHBondContact O-CB 3.41Å; T143-Q147 VanDerWaalsContact O-CG 3.29Å; T143-Q147 WeakPolarHBondContact O-CG 3.44Å; T143-Q147 PolarHBondContact O-N 2.98Å
144	E	97.8	Very high	96.5	Very high	92 Å²	92	65.1 Å²	65.1	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-39.8	175.1	-73.4	173.6	-167.7	0	0	111.8	R140 M141 L142 R148	R140-E144 WeakPolarHBondContact CG-OE1 3.31Å; R140-E144 WeakPolarHBondContact O-CB 3.45Å; R140-E144 WeakPolarHBondContact O-CG 3.03Å; R140-E144 PolarHBondContact O-N 2.9Å; M141-E144 PolarHBondContact O-N 2.65Å; L142-E144 PolarHBondContact O-N 2.88Å; E144-R148 WeakPolarHBondContact O-CB 3.21Å; E144-R148 PolarHBondContact O-N 2.92Å
145	F	97.9	Very high	96.8	Very high	13 Å²	13	65.7 Å²	65.7	6%	0.057	32%	0.317	C	S	.	.	H	α-helix	trans	-66.8	-43.6	177.5	-179.7	-93.6	0	0	0	112.5	F77 I88 Q91 I94 F115 M141 L142 T143 R148 N149 F151	F77-F145 HydrophobicContact CD1-CE1 4.36Å; F77-F145 HydrophobicContact CD1-CZ 4.33Å; F77-F145 HydrophobicContact CD2-CE1 4.34Å; F77-F145 AromaticContact CE1-CE1 4Å; F77-F145 HydrophobicContact CE1-CE1 4Å; F77-F145 AromaticContact CE1-CZ 3.79Å; F77-F145 HydrophobicContact CE1-CZ 3.79Å; F77-F145 AromaticContact CE2-CE1 3.94Å; F77-F145 HydrophobicContact CE2-CE1 3.94Å; F77-F145 AromaticContact CZ-CE1 3.74Å; F77-F145 HydrophobicContact CZ-CE1 3.74Å; F77-F145 AromaticContact CZ-CZ 3.86Å; F77-F145 HydrophobicContact CZ-CZ 3.86Å; I88-F145 HydrophobicContact CD1-CB 3.54Å; I88-F145 HydrophobicContact CD1-CD1 3.85Å; I88-F145 HydrophobicContact CD1-CD2 4Å; I88-F145 HydrophobicContact CD1-CG 3.51Å; I88-F145 HydrophobicContact CG2-CD1 4.46Å; I88-F145 HydrophobicContact CG2-CE1 4.14Å; I88-F145 HydrophobicContact CG2-CE2 4.3Å; I88-F145 HydrophobicContact CG2-CZ 4.04Å; Q91-F145 HydrophobicContact CG-CE2 3.67Å; Q91-F145 HydrophobicContact CG-CZ 3.88Å; I94-F145 HydrophobicContact CD1-CZ 3.96Å; F115-F145 HydrophobicContact CE1-CD1 4.18Å; F115-F145 HydrophobicContact CE1-CE1 4.22Å; F115-F145 AromaticContact CZ-CD1 3.78Å; F115-F145 HydrophobicContact CZ-CD1 3.78Å; F115-F145 AromaticContact CZ-CE1 3.8Å; F115-F145 HydrophobicContact CZ-CE1 3.8Å; M141-F145 WeakPolarHBondContact O-CB 3.04Å; M141-F145 PolarHBondContact O-N 2.83Å; L142-F145 WeakPolarHBondContact O-CB 3.41Å; L142-F145 PolarHBondContact O-N 2.86Å; T143-F145 VanDerWaalsContact C-N 3.3Å; T143-F145 PolarHBondContact O-N 2.65Å; F145-R148 PolarHBondContact O-N 3.07Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.44Å; F145-N149 PolarHBondContact O-N 3.24Å; F145-N149 VanDerWaalsContact O-N 3.15Å; F145-N149 PolarHBondContact O-ND2 2.97Å; F145-F151 HydrophobicContact CE1-CE2 4.04Å
146	V	98.3	Very high	97	Very high	18 Å²	18	66.1 Å²	66.1	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-49.2	176.3	166.9	0	0	0	0	110.5	F115 L142 T143 N149 N150 F151 V154	F115-V146 HydrophobicContact CE2-CG2 4.47Å; L142-V146 HydrophobicContact CD1-CG2 4.28Å; L142-V146 VanDerWaalsContact O-CG2 3.28Å; L142-V146 WeakPolarHBondContact O-CG2 3.46Å; L142-V146 PolarHBondContact O-N 2.84Å; T143-V146 PolarHBondContact O-N 3.12Å; V146-N149 PolarHBondContact O-N 3.37Å; V146-N150 PolarHBondContact O-N 3.36Å; V146-N150 VanDerWaalsContact O-N 3.15Å; V146-F151 HydrophobicContact CG1-CB 4.01Å; V146-F151 PolarHBondContact O-N 2.94Å; V146-F151 VanDerWaalsContact O-N 3.14Å; V146-V154 HydrophobicContact CG2-CG1 3.44Å; V146-V154 VanDerWaalsContact CG2-CG1 3.44Å
147	Q	97.9	Very high	97	Very high	136 Å²	136	64.7 Å²	64.7	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-62.4	-46.6	178.8	-72.7	175.1	-17.5	0	0	112	T143 N149 N150	T143-Q147 WeakPolarHBondContact O-CB 3.41Å; T143-Q147 VanDerWaalsContact O-CG 3.29Å; T143-Q147 WeakPolarHBondContact O-CG 3.44Å; T143-Q147 PolarHBondContact O-N 2.98Å; Q147-N149 PolarHBondContact O-N 2.76Å; Q147-N150 PolarHBondContact O-N 3.44Å; Q147-N150 VanDerWaalsContact O-N 3.13Å
148	R	97.5	Very high	97	Very high	184 Å²	184	61.7 Å²	61.7	69%	0.694	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-32.4	-179.6	-172.5	-175	-52.6	174.4	5.8	113	E144 F145	E144-R148 WeakPolarHBondContact O-CB 3.21Å; E144-R148 PolarHBondContact O-N 2.92Å; F145-R148 PolarHBondContact O-N 3.07Å
149	N	97.8	Very high	96.7	Very high	16 Å²	16	66.1 Å²	66.1	9%	0.086	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.6	179.9	-69.9	-66.5	0	0	0	113.8	R96 F145 V146 Q147 F151	R96-N149 PolarHBondContact NH2-OD1 2.83Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.44Å; F145-N149 PolarHBondContact O-N 3.24Å; F145-N149 VanDerWaalsContact O-N 3.15Å; F145-N149 PolarHBondContact O-ND2 2.97Å; V146-N149 PolarHBondContact O-N 3.37Å; Q147-N149 PolarHBondContact O-N 2.76Å; N149-F151 VanDerWaalsContact C-N 3.26Å; N149-F151 HydrophobicContact CB-CD2 3.73Å; N149-F151 HydrophobicContact CB-CE1 4.4Å; N149-F151 HydrophobicContact CB-CE2 3.41Å; N149-F151 VanDerWaalsContact CB-CE2 3.41Å; N149-F151 HydrophobicContact CB-CG 4.34Å; N149-F151 HydrophobicContact CB-CZ 3.79Å; N149-F151 PolarHBondContact O-N 2.78Å
150	N	96.7	Very high	96.3	Very high	117 Å²	117	66.2 Å²	66.2	63%	0.626	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	41.1	178	-155	61.5	0	0	0	112.9	R103 V146 Q147	R103-N150 PolarHBondContact NH2-O 3.47Å; V146-N150 PolarHBondContact O-N 3.36Å; V146-N150 VanDerWaalsContact O-N 3.15Å; Q147-N150 PolarHBondContact O-N 3.44Å; Q147-N150 VanDerWaalsContact O-N 3.13Å
151	F	98.4	Very high	96	Very high	13 Å²	13	61 Å²	61	6%	0.057	31%	0.305	C	S	.	.			trans	-85.5	146.8	168.7	-60.8	-43.6	0	0	0	109.7	W76 F77 I94 L99 I111 P113 F145 V146 N149 G153	W76-F151 HydrophobicContact CE3-CZ 4.46Å; W76-F151 HydrophobicContact CZ3-CE1 4.17Å; W76-F151 HydrophobicContact CZ3-CZ 4.08Å; F77-F151 AromaticContact CE2-CE2 3.72Å; F77-F151 HydrophobicContact CE2-CE2 3.72Å; F77-F151 HydrophobicContact CE2-CZ 4.04Å; F77-F151 AromaticContact CZ-CE2 3.88Å; F77-F151 HydrophobicContact CZ-CE2 3.88Å; F77-F151 HydrophobicContact CZ-CZ 4.01Å; I94-F151 HydrophobicContact CD1-CZ 4.3Å; I94-F151 HydrophobicContact CG1-CZ 4.45Å; L99-F151 HydrophobicContact CD1-CE1 3.8Å; L99-F151 HydrophobicContact CD2-CE1 4.46Å; I111-F151 HydrophobicContact CG2-CD1 3.82Å; I111-F151 HydrophobicContact CG2-CE1 4.26Å; P113-F151 HydrophobicContact CG-CB 4.33Å; P113-F151 HydrophobicContact CG-CD1 3.64Å; P113-F151 HydrophobicContact CG-CD2 3.77Å; P113-F151 HydrophobicContact CG-CE1 3.77Å; P113-F151 HydrophobicContact CG-CE2 3.9Å; P113-F151 HydrophobicContact CG-CG 3.65Å; P113-F151 HydrophobicContact CG-CZ 3.91Å; F145-F151 HydrophobicContact CE1-CE2 4.04Å; V146-F151 HydrophobicContact CG1-CB 4.01Å; V146-F151 PolarHBondContact O-N 2.94Å; V146-F151 VanDerWaalsContact O-N 3.14Å; N149-F151 VanDerWaalsContact C-N 3.26Å; N149-F151 HydrophobicContact CB-CD2 3.73Å; N149-F151 HydrophobicContact CB-CE1 4.4Å; N149-F151 HydrophobicContact CB-CE2 3.41Å; N149-F151 VanDerWaalsContact CB-CE2 3.41Å; N149-F151 HydrophobicContact CB-CG 4.34Å; N149-F151 HydrophobicContact CB-CZ 3.79Å; N149-F151 PolarHBondContact O-N 2.78Å; F151-G153 VanDerWaalsContact C-N 3.33Å
152	D	98.4	Very high	95.6	Very high	83 Å²	83	59.2 Å²	59.2	44%	0.444	30%	0.298	S	S	.	.			trans	-87.2	-6.9	-174	-55.2	-57.6	0	0	0	112.7	R103 S110 I111	R103-D152 IonicContact CZ-OD2 3.27Å; R103-D152 VanDerWaalsContact CZ-OD2 3.27Å; R103-D152 IonicContact NH1-OD1 3.77Å; R103-D152 IonicContact NH1-OD2 2.93Å; R103-D152 PolarHBondContact NH1-OD2 3.23Å; R103-D152 IonicContact NH2-OD1 3.36Å; R103-D152 PolarHBondContact NH2-OD1 2.86Å; R103-D152 IonicContact NH2-OD2 2.71Å; R103-D152 PolarHBondContact NH2-OD2 3.22Å; S110-D152 WeakPolarHBondContact CA-OD2 3.42Å; I111-D152 PolarHBondContact N-OD2 3.09Å; I111-D152 PolarHBondContact O-N 3.41Å
153	G	98.4	Very high	95.1	Very high	21 Å²	21	63.8 Å²	63.8	22%	0.216	32%	0.319	C	S	.	.			trans	165.6	-160	179.9	0	0	0	0	0	111.6	P113 F151	P113-G153 WeakPolarHBondContact CD-O 3.39Å; F151-G153 VanDerWaalsContact C-N 3.33Å
154	V	98.4	Very high	94.7	Very high	57 Å²	57	64 Å²	64	35%	0.345	32%	0.321	S	S	.	.			trans	-140.9	146.8	-179.1	-59.6	0	0	0	0	111.4	P113 F115 L142 V146 F156	P113-V154 WeakPolarHBondContact O-CA 3.4Å; F115-V154 HydrophobicContact CD2-CB 4.06Å; F115-V154 HydrophobicContact CD2-CG1 3.81Å; F115-V154 HydrophobicContact CE2-CB 4.41Å; F115-V154 HydrophobicContact CE2-CG1 3.71Å; L142-V154 HydrophobicContact CD1-CG1 4.46Å; V146-V154 HydrophobicContact CG2-CG1 3.44Å; V146-V154 VanDerWaalsContact CG2-CG1 3.44Å; V154-F156 HydrophobicContact CG2-CB 4.39Å
155	V	98.4	Very high	94.3	Very high	20 Å²	20	60.2 Å²	60.2	12%	0.121	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.6	155.8	174.8	0	0	0	0	107.2	L48 F50 S73 V112 P113 R114 F115 I187	L48-V155 HydrophobicContact CD1-CG2 3.83Å; F50-V155 HydrophobicContact CE1-CG1 4.13Å; F50-V155 HydrophobicContact CZ-CG1 4.17Å; S73-V155 WeakPolarHBondContact OG-CG2 3.34Å; V112-V155 HydrophobicContact CG2-CG2 4.17Å; P113-V155 PolarHBondContact O-N 3.27Å; R114-V155 CarbonylContact C-O 3.52Å; R114-V155 VanDerWaalsContact CA-O 3.3Å; R114-V155 WeakPolarHBondContact CA-O 3.49Å; R114-V155 HydrophobicContact CB-CB 4.28Å; R114-V155 HydrophobicContact CG-CB 4.24Å; R114-V155 HydrophobicContact CG-CG1 4.02Å; F115-V155 PolarHBondContact N-O 2.9Å; V155-I187 HydrophobicContact CG1-CD1 3.81Å; V155-I187 HydrophobicContact CG2-CD1 4.03Å
156	F	96.8	Very high	93.8	Very high	60 Å²	60	61 Å²	61	26%	0.263	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	105.8	-176	-164	-118.5	0	0	0	111.3	L79 F115 V117 F139 L142 V154 V158	L79-F156 HydrophobicContact CD2-CE2 3.82Å; L79-F156 HydrophobicContact CD2-CZ 3.97Å; F115-F156 HydrophobicContact CB-CD2 4.07Å; F115-F156 HydrophobicContact CB-CE2 4.47Å; V117-F156 HydrophobicContact CG2-CE1 3.94Å; V117-F156 HydrophobicContact CG2-CE2 3.64Å; V117-F156 HydrophobicContact CG2-CZ 3.27Å; F139-F156 AromaticContact CE1-CE1 3.97Å; F139-F156 HydrophobicContact CE1-CE1 3.97Å; F139-F156 HydrophobicContact CE1-CE2 4.42Å; F139-F156 AromaticContact CE1-CZ 3.85Å; F139-F156 HydrophobicContact CE1-CZ 3.85Å; F139-F156 HydrophobicContact CZ-CE1 4.07Å; F139-F156 HydrophobicContact CZ-CZ 4.16Å; L142-F156 HydrophobicContact CD2-CD2 4.33Å; L142-F156 HydrophobicContact CD2-CE2 4.27Å; V154-F156 HydrophobicContact CG2-CB 4.39Å; F156-V158 HydrophobicContact CD1-CB 3.84Å; F156-V158 HydrophobicContact CD1-CG1 3.55Å; F156-V158 HydrophobicContact CE1-CB 3.59Å; F156-V158 HydrophobicContact CE1-CG1 3.65Å; F156-V158 HydrophobicContact CE1-CG2 3.94Å; F156-V158 HydrophobicContact CZ-CB 4.3Å
157	E	95.5	Very high	93.2	Very high	53 Å²	53	68.4 Å²	68.4	25%	0.248	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	97.7	-178.7	-165.6	-169.3	144.6	0	0	110	R114 F115 L116 V117 Q161	R114-E157 WeakPolarHBondContact CD-OE2 3.3Å; R114-E157 IonicContact CZ-OE2 3.69Å; R114-E157 IonicContact NE-OE2 3.88Å; R114-E157 IonicContact NH1-OE2 3.88Å; R114-E157 PolarHBondContact NH1-OE2 3.35Å; F115-E157 PolarHBondContact O-N 3.28Å; L116-E157 HydrophobicContact CD1-CB 4.39Å; L116-E157 HydrophobicContact CD1-CG 4.26Å; V117-E157 PolarHBondContact N-O 3.19Å; E157-Q161 PolarHBondContact OE1-NE2 3.04Å
158	V	92.5	Very high	92.7	Very high	38 Å²	38	67.8 Å²	67.8	23%	0.23	34%	0.336	C	S	.	.			trans	-131.7	-26.9	-173.9	63.2	0	0	0	0	113.5	V117 F156 Q161 T162	V117-V158 HydrophobicContact CB-CB 4.32Å; V117-V158 HydrophobicContact CB-CG2 4.12Å; V117-V158 HydrophobicContact CG1-CG2 4.49Å; V117-V158 HydrophobicContact CG2-CB 3.7Å; V117-V158 HydrophobicContact CG2-CG2 3.68Å; F156-V158 HydrophobicContact CD1-CB 3.84Å; F156-V158 HydrophobicContact CD1-CG1 3.55Å; F156-V158 HydrophobicContact CE1-CB 3.59Å; F156-V158 HydrophobicContact CE1-CG1 3.65Å; F156-V158 HydrophobicContact CE1-CG2 3.94Å; F156-V158 HydrophobicContact CZ-CB 4.3Å; V158-Q161 VanDerWaalsContact C-OE1 3.28Å; V158-Q161 PolarHBondContact O-N 3.37Å; V158-Q161 PolarHBondContact O-OE1 3.1Å; V158-T162 WeakPolarHBondContact CG2-OG1 3.44Å; V158-T162 WeakPolarHBondContact O-CB 3.31Å; V158-T162 PolarHBondContact O-N 3.47Å; V158-T162 PolarHBondContact O-OG1 3Å
159	Y	89.4	Confident	92.1	Very high	94 Å²	94	63 Å²	63	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-52.2	-165.2	-177.4	-96.4	0	0	0	112.8	Q161 T162 Q163 V174	Y159-Q161 VanDerWaalsContact C-N 3.3Å; Y159-Q161 PolarHBondContact O-N 3.47Å; Y159-T162 PolarHBondContact O-N 3.06Å; Y159-Q163 WeakPolarHBondContact O-CB 3.45Å; Y159-Q163 PolarHBondContact O-N 2.89Å; Y159-V174 WeakPolarHBondContact CE2-O 3.48Å
160	V	87	Confident	91.6	Very high	83 Å²	83	71.4 Å²	71.4	50%	0.503	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-35.3	-176.2	175.7	0	0	0	0	111.2	P164	V160-P164 VanDerWaalsContact O-CD 3.23Å; V160-P164 WeakPolarHBondContact O-CD 3.42Å
161	Q	88.1	Confident	90.7	Very high	50 Å²	50	69 Å²	69	23%	0.234	34%	0.343	C	S	.	.	H	α-helix	trans	-70.4	-35.7	179.4	-62	75.1	17	0	0	110.9	L116 V117 Y119 E157 V158 Y159 I165	L116-Q161 VanDerWaalsContact CD1-CD 3.49Å; L116-Q161 HydrophobicContact CD1-CG 3.83Å; V117-Q161 WeakPolarHBondContact O-CG 3.47Å; Y119-Q161 HydrophobicContact CD2-CB 4.38Å; Y119-Q161 HydrophobicContact CE2-CB 4.01Å; E157-Q161 PolarHBondContact OE1-NE2 3.04Å; V158-Q161 VanDerWaalsContact C-OE1 3.28Å; V158-Q161 PolarHBondContact O-N 3.37Å; V158-Q161 PolarHBondContact O-OE1 3.1Å; Y159-Q161 VanDerWaalsContact C-N 3.3Å; Y159-Q161 PolarHBondContact O-N 3.47Å; Q161-I165 WeakPolarHBondContact O-CD1 3.42Å
162	T	89	Confident	89.6	Confident	14 Å²	14	71.2 Å²	71.2	9%	0.086	37%	0.369	C	S	.	.	H	α-helix	trans	-88.5	-31.2	-173.7	-53.7	0	0	0	0	113.6	Y119 V129 V158 Y159 P164 I165 M166	Y119-T162 PolarHBondContact OH-OG1 2.64Å; V129-T162 HydrophobicContact CG1-CG2 4.2Å; V129-T162 HydrophobicContact CG2-CG2 3.56Å; V158-T162 WeakPolarHBondContact CG2-OG1 3.44Å; V158-T162 WeakPolarHBondContact O-CB 3.31Å; V158-T162 PolarHBondContact O-N 3.47Å; V158-T162 PolarHBondContact O-OG1 3Å; Y159-T162 PolarHBondContact O-N 3.06Å; T162-P164 VanDerWaalsContact C-CD 3.5Å; T162-I165 WeakPolarHBondContact O-CB 3.3Å; T162-I165 PolarHBondContact O-N 3.15Å; T162-M166 HydrophobicContact CG2-CG 3.8Å; T162-M166 HydrophobicContact CG2-SD 3.98Å; T162-M166 PolarHBondContact O-N 2.95Å
163	Q	86.6	Confident	88.2	Confident	104 Å²	104	77.5 Å²	77.5	49%	0.486	39%	0.393	S	S	.	.	H	α-helix	trans	-55.4	-42.5	-174.3	-168.3	-169.1	30.9	0	0	113.9	Y159 I165 M166 K167	Y159-Q163 WeakPolarHBondContact O-CB 3.45Å; Y159-Q163 PolarHBondContact O-N 2.89Å; Q163-I165 VanDerWaalsContact C-N 3.34Å; Q163-I165 PolarHBondContact O-N 3.39Å; Q163-M166 PolarHBondContact O-N 2.9Å; Q163-K167 WeakPolarHBondContact O-CB 3.46Å; Q163-K167 PolarHBondContact O-N 2.87Å
164	P	87.4	Confident	86.7	Confident	78 Å²	78	78.7 Å²	78.7	51%	0.506	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-40.3	176.2	-23.2	35.1	0	0	0	112.8	V160 T162 K167 Q168	V160-P164 VanDerWaalsContact O-CD 3.23Å; V160-P164 WeakPolarHBondContact O-CD 3.42Å; T162-P164 VanDerWaalsContact C-CD 3.5Å; P164-K167 PolarHBondContact O-N 3.16Å; P164-Q168 WeakPolarHBondContact O-CB 3.39Å; P164-Q168 PolarHBondContact O-N 3.2Å
165	I	89.5	Confident	85.6	Confident	13 Å²	13	77.6 Å²	77.6	7%	0.067	40%	0.396	C	S	.	.	H	α-helix	trans	-64.7	-48.6	179.6	-61.9	149.9	0	0	0	109.7	Y119 L122 A125 V126 V129 Q161 T162 Q163 K167 Q168 Q169	Y119-I165 HydrophobicContact CD2-CD1 3.42Å; Y119-I165 VanDerWaalsContact CD2-CD1 3.42Å; Y119-I165 HydrophobicContact CE2-CD1 3.32Å; Y119-I165 HydrophobicContact CG-CD1 4.15Å; L122-I165 HydrophobicContact CD1-CG1 4.41Å; A125-I165 HydrophobicContact CB-CD1 3.34Å; A125-I165 HydrophobicContact CB-CG1 3.85Å; A125-I165 HydrophobicContact CB-CG2 4.23Å; V126-I165 HydrophobicContact CG2-CG2 3.98Å; V129-I165 HydrophobicContact CG2-CG2 4.36Å; Q161-I165 WeakPolarHBondContact O-CD1 3.42Å; T162-I165 WeakPolarHBondContact O-CB 3.3Å; T162-I165 PolarHBondContact O-N 3.15Å; Q163-I165 VanDerWaalsContact C-N 3.34Å; Q163-I165 PolarHBondContact O-N 3.39Å; I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 3.05Å; I165-Q168 PolarHBondContact O-N 3.1Å; I165-Q168 VanDerWaalsContact O-N 3.16Å; I165-Q169 HydrophobicContact CG2-CG 4.4Å; I165-Q169 WeakPolarHBondContact O-CB 3.39Å; I165-Q169 WeakPolarHBondContact O-CG 3.11Å; I165-Q169 PolarHBondContact O-N 3.16Å
166	M	87.3	Confident	84.4	Confident	30 Å²	30	79.5 Å²	79.5	15%	0.148	41%	0.405	C	S	.	.	H	α-helix	trans	-57.7	-44	177.1	-68.9	-174.6	78.2	0	0	111.9	V129 T162 Q163 Q169 K170 M171 G172 V174	V129-M166 HydrophobicContact CG1-CG 4.09Å; T162-M166 HydrophobicContact CG2-CG 3.8Å; T162-M166 HydrophobicContact CG2-SD 3.98Å; T162-M166 PolarHBondContact O-N 2.95Å; Q163-M166 PolarHBondContact O-N 2.9Å; M166-Q169 PolarHBondContact O-N 3.28Å; M166-K170 PolarHBondContact O-N 3.23Å; M166-K170 VanDerWaalsContact O-N 3.15Å; M166-M171 HydrophobicContact CB-CB 4.17Å; M166-M171 HydrophobicContact CE-CB 4.15Å; M166-M171 HydrophobicContact CG-SD 4.48Å; M166-M171 PolarHBondContact O-N 3.05Å; M166-G172 WeakPolarHBondContact CE-O 3.23Å; M166-V174 HydrophobicContact CE-CB 4.1Å; M166-V174 HydrophobicContact CE-CG2 3.4Å; M166-V174 VanDerWaalsContact CE-CG2 3.4Å; M166-V174 HydrophobicContact SD-CB 4.31Å; M166-V174 HydrophobicContact SD-CG2 4.08Å
167	K	86.9	Confident	83.3	Confident	173 Å²	173	79.6 Å²	79.6	75%	0.752	41%	0.408	S	S	*	.	H	α-helix	trans	-62.5	-43.5	177.4	-175.2	-179.4	177.1	-174.5	0	111.5	Q163 P164 I165 K170	Q163-K167 WeakPolarHBondContact O-CB 3.46Å; Q163-K167 PolarHBondContact O-N 2.87Å; P164-K167 PolarHBondContact O-N 3.16Å; I165-K167 VanDerWaalsContact C-N 3.3Å; I165-K167 PolarHBondContact O-N 3.05Å; K167-K170 PolarHBondContact O-N 2.85Å
168	Q	86	Confident	82.5	Confident	122 Å²	122	85.7 Å²	85.7	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-40.8	178.9	-175.1	176.9	-1.9	0	0	111.9	P164 I165 K170	P164-Q168 WeakPolarHBondContact O-CB 3.39Å; P164-Q168 PolarHBondContact O-N 3.2Å; I165-Q168 PolarHBondContact O-N 3.1Å; I165-Q168 VanDerWaalsContact O-N 3.16Å; Q168-K170 PolarHBondContact O-N 3.48Å
169	Q	86.2	Confident	82.1	Confident	83 Å²	83	86 Å²	86	39%	0.388	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	5.4	177.6	-63.5	-54	-44.5	0	0	113.5	V126 I165 M166 M171	V126-Q169 HydrophobicContact CG1-CG 4.33Å; V126-Q169 HydrophobicContact CG2-CG 3.73Å; I165-Q169 HydrophobicContact CG2-CG 4.4Å; I165-Q169 WeakPolarHBondContact O-CB 3.39Å; I165-Q169 WeakPolarHBondContact O-CG 3.11Å; I165-Q169 PolarHBondContact O-N 3.16Å; M166-Q169 PolarHBondContact O-N 3.28Å; Q169-M171 HydrophobicContact CB-CG 3.8Å; Q169-M171 HydrophobicContact CB-SD 4.07Å; Q169-M171 PolarHBondContact O-N 3.06Å; Q169-M171 VanDerWaalsContact O-N 3.1Å
170	K	86.5	Confident	81.9	Confident	194 Å²	194	81.6 Å²	81.6	84%	0.843	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	30.9	-176.6	-58.1	175.9	177.3	174.8	0	112.6	M166 K167 Q168	M166-K170 PolarHBondContact O-N 3.23Å; M166-K170 VanDerWaalsContact O-N 3.15Å; K167-K170 PolarHBondContact O-N 2.85Å; Q168-K170 PolarHBondContact O-N 3.48Å
171	M	79.1	Confident	82	Confident	67 Å²	67	81.1 Å²	81.1	33%	0.33	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-73.4	151	171.3	-59.4	178.5	93.8	0	0	108.7	V129 M166 Q169	V129-M171 HydrophobicContact CG1-CE 4.01Å; V129-M171 HydrophobicContact CG1-SD 3.68Å; M166-M171 HydrophobicContact CB-CB 4.17Å; M166-M171 HydrophobicContact CE-CB 4.15Å; M166-M171 HydrophobicContact CG-SD 4.48Å; M166-M171 PolarHBondContact O-N 3.05Å; Q169-M171 HydrophobicContact CB-CG 3.8Å; Q169-M171 HydrophobicContact CB-SD 4.07Å; Q169-M171 PolarHBondContact O-N 3.06Å; Q169-M171 VanDerWaalsContact O-N 3.1Å
172	G	73.3	Confident	82.1	Confident	59 Å²	59	86.3 Å²	86.3	61%	0.608	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-55.6	158.8	177.1	0	0	0	0	0	112	M166 V174	M166-G172 WeakPolarHBondContact CE-O 3.23Å; G172-V174 PolarHBondContact O-N 3.39Å
173	K	69.5	Low	82.2	Confident	215 Å²	215	88.1 Å²	88.1	94%	0.935	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-71.1	118.9	172.4	-67.9	-178.9	-179.4	177.7	0	108.6	G175	K173-G175 PolarHBondContact O-N 3.1Å
174	V	68.4	Low	82.6	Confident	46 Å²	46	89.4 Å²	89.4	28%	0.279	46%	0.455	S	S	.	.			trans	-75.5	114.6	161.7	168.6	0	0	0	0	106.6	Y159 M166 G172 V179	Y159-V174 WeakPolarHBondContact CE2-O 3.48Å; M166-V174 HydrophobicContact CE-CB 4.1Å; M166-V174 HydrophobicContact CE-CG2 3.4Å; M166-V174 VanDerWaalsContact CE-CG2 3.4Å; M166-V174 HydrophobicContact SD-CB 4.31Å; M166-V174 HydrophobicContact SD-CG2 4.08Å; G172-V174 PolarHBondContact O-N 3.39Å; V174-V179 HydrophobicContact CG1-CG1 4.09Å
175	G	73.5	Confident	82.9	Confident	33 Å²	33	88.6 Å²	88.6	34%	0.34	44%	0.444	S	S	.	.			trans	-85.1	149	170.3	0	0	0	0	0	110.2	K173 L177 W178	K173-G175 PolarHBondContact O-N 3.1Å; G175-L177 PolarHBondContact O-N 2.93Å; G175-L177 VanDerWaalsContact O-N 3.07Å; G175-W178 WeakPolarHBondContact O-CB 3.43Å; G175-W178 PolarHBondContact O-N 3.47Å
176	L	73.7	Confident	83.1	Confident	61 Å²	61	88.6 Å²	88.6	32%	0.319	44%	0.444	S	S	.	.	H	α-helix	trans	-52	-29.4	171.4	-77	152.9	0	0	0	112.5	W178 V179 E180 I186 L218	L176-W178 VanDerWaalsContact C-N 3.31Å; L176-W178 PolarHBondContact O-N 3.07Å; L176-V179 WeakPolarHBondContact O-CG2 3.46Å; L176-V179 PolarHBondContact O-N 2.8Å; L176-E180 PolarHBondContact O-N 3.04Å; L176-I186 HydrophobicContact CB-CD1 4.48Å; L176-I186 HydrophobicContact CD2-CG2 3.72Å; L176-L218 HydrophobicContact CB-CD1 4.01Å; L176-L218 HydrophobicContact CD1-CD1 3.98Å
177	L	73.9	Confident	83.4	Confident	62 Å²	62	89.4 Å²	89.4	33%	0.325	45%	0.448	S	S	.	.	H	α-helix	trans	-71.3	-23.9	177.9	-55	177.4	0	0	0	114	G175 V179 A221	G175-L177 PolarHBondContact O-N 2.93Å; G175-L177 VanDerWaalsContact O-N 3.07Å; L177-V179 VanDerWaalsContact C-N 3.34Å; L177-A221 HydrophobicContact CD1-CB 3.63Å; L177-A221 VanDerWaalsContact CD2-C 3.43Å; L177-A221 HydrophobicContact CD2-CB 3.72Å; L177-A221 VanDerWaalsContact CD2-O 3.26Å; L177-A221 WeakPolarHBondContact CD2-O 3.2Å; L177-A221 HydrophobicContact CG-CB 4.23Å
178	W	79.6	Confident	83.8	Confident	180 Å²	180	82.6 Å²	82.6	68%	0.682	42%	0.421	S	S	*	.	H	α-helix	trans	-76.1	-28.9	178.4	-167.9	80.6	0	0	0	111.6	G175 L176	G175-W178 WeakPolarHBondContact O-CB 3.43Å; G175-W178 PolarHBondContact O-N 3.47Å; L176-W178 VanDerWaalsContact C-N 3.31Å; L176-W178 PolarHBondContact O-N 3.07Å
179	V	84.2	Confident	84.2	Confident	46 Å²	46	81.5 Å²	81.5	28%	0.279	42%	0.417	S	S	.	.	H	α-helix	trans	-87.1	-18.4	177.3	-61.4	0	0	0	0	113	V174 L176 L177 P181 F182 V183	V174-V179 HydrophobicContact CG1-CG1 4.09Å; L176-V179 WeakPolarHBondContact O-CG2 3.46Å; L176-V179 PolarHBondContact O-N 2.8Å; L177-V179 VanDerWaalsContact C-N 3.34Å; V179-P181 VanDerWaalsContact C-CD 3.45Å; V179-F182 PolarHBondContact O-N 2.93Å; V179-V183 PolarHBondContact O-N 3.03Å
180	E	85.2	Confident	84.7	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.005	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-51.3	-41.4	-176.2	-172	-90.7	117	0	0	114.8	L176 F182 V183 I186 Q223 S224 K228	L176-E180 PolarHBondContact O-N 3.04Å; E180-F182 PolarHBondContact O-N 3.28Å; E180-V183 PolarHBondContact O-N 3.06Å; E180-I186 HydrophobicContact CB-CD1 3.95Å; E180-I186 HydrophobicContact CG-CD1 4.09Å; E180-Q223 PolarHBondContact OE2-N 2.91Å; E180-S224 VanDerWaalsContact CD-OG 3.27Å; E180-S224 WeakPolarHBondContact OE1-CB 3.49Å; E180-S224 PolarHBondContact OE1-OG 2.95Å; E180-S224 PolarHBondContact OE2-OG 2.98Å; E180-S224 VanDerWaalsContact OE2-OG 3.12Å; E180-K228 HydrophobicContact CG-CD 4.29Å; E180-K228 PolarHBondContact O-NZ 2.89Å; E180-K228 VanDerWaalsContact OE1-CD 3.23Å; E180-K228 WeakPolarHBondContact OE1-CD 3.3Å; E180-K228 WeakPolarHBondContact OE1-CE 3.47Å; E180-K228 IonicContact OE1-NZ 2.72Å; E180-K228 PolarHBondContact OE1-NZ 3.05Å
181	P	87.9	Confident	85.3	Confident	73 Å²	73	68.9 Å²	68.9	47%	0.474	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.6	177.1	-23.7	36	0	0	0	114.4	V179	V179-P181 VanDerWaalsContact C-CD 3.45Å
182	F	89.8	Confident	86.1	Confident	159 Å²	159	68.4 Å²	68.4	70%	0.697	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-102.3	-2.7	-172.5	-54.7	-75.8	0	0	0	113.6	V179 E180	V179-F182 PolarHBondContact O-N 2.93Å; E180-F182 PolarHBondContact O-N 3.28Å
183	V	92.5	Very high	87.3	Confident	51 Å²	51	70.5 Å²	70.5	31%	0.309	35%	0.35	S	S	.	.			trans	-124.3	148.6	-177.9	-59.1	0	0	0	0	111.3	V179 E180 F185 I186 K228	V179-V183 PolarHBondContact O-N 3.03Å; E180-V183 PolarHBondContact O-N 3.06Å; V183-F185 WeakPolarHBondContact CG2-O 3.46Å; V183-I186 HydrophobicContact CG2-CG1 3.87Å; V183-K228 PolarHBondContact O-NZ 3.07Å
184	N	94.1	Very high	88.5	Confident	132 Å²	132	61.5 Å²	61.5	71%	0.706	31%	0.312	S	S	*	.	S	Bend	trans	-70.6	-40.5	170.6	-64.6	90.8	0	0	0	111.2	K228	N184-K228 WeakPolarHBondContact O-CG 3.29Å
185	F	94.7	Very high	89.6	Confident	61 Å²	61	61.6 Å²	61.6	27%	0.268	32%	0.322	S	S	.	.			trans	-139.4	150	-177	-60	-67.9	0	0	0	112.4	P46 H71 V183 K228 L230	P46-F185 HydrophobicContact CB-CE1 4.2Å; P46-F185 HydrophobicContact CB-CZ 4.09Å; P46-F185 HydrophobicContact CG-CE1 3.97Å; P46-F185 HydrophobicContact CG-CZ 3.96Å; H71-F185 AromaticContact CE1-CE2 3.64Å; H71-F185 AromaticContact NE2-CE2 3.73Å; V183-F185 WeakPolarHBondContact CG2-O 3.46Å; F185-K228 CarbonylContact C-O 3.49Å; F185-K228 WeakPolarHBondContact CA-O 3.43Å; F185-L230 HydrophobicContact CB-CD1 3.87Å; F185-L230 HydrophobicContact CB-CG 3.95Å; F185-L230 HydrophobicContact CD1-CD1 4.24Å; F185-L230 HydrophobicContact CD1-CD2 3.86Å; F185-L230 HydrophobicContact CD1-CG 3.94Å; F185-L230 HydrophobicContact CD2-CD1 4.27Å; F185-L230 HydrophobicContact CE1-CD2 4.23Å; F185-L230 HydrophobicContact CG-CD1 3.86Å; F185-L230 HydrophobicContact CG-CD2 4.33Å; F185-L230 HydrophobicContact CG-CG 4Å
186	I	92.7	Very high	90.2	Very high	13 Å²	13	71.9 Å²	71.9	7%	0.067	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.7	164.3	-62.7	176.1	0	0	0	107.5	L176 E180 V183 V188 L218 K228 L230	L176-I186 HydrophobicContact CB-CD1 4.48Å; L176-I186 HydrophobicContact CD2-CG2 3.72Å; E180-I186 HydrophobicContact CB-CD1 3.95Å; E180-I186 HydrophobicContact CG-CD1 4.09Å; V183-I186 HydrophobicContact CG2-CG1 3.87Å; I186-V188 HydrophobicContact CG2-CG2 4.26Å; I186-L218 HydrophobicContact CB-CD2 4.37Å; I186-L218 HydrophobicContact CG2-CD2 3.79Å; I186-K228 PolarHBondContact N-O 3.45Å; I186-L230 PolarHBondContact O-N 2.93Å
187	I	94.6	Very high	91.2	Very high	47 Å²	47	73.8 Å²	73.8	24%	0.241	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.1	174.6	-58.9	169.9	0	0	0	108.5	L48 F50 V155 L230 A308	L48-I187 HydrophobicContact CD1-CD1 4.02Å; L48-I187 HydrophobicContact CD2-CD1 4.26Å; F50-I187 HydrophobicContact CZ-CD1 4.01Å; V155-I187 HydrophobicContact CG1-CD1 3.81Å; V155-I187 HydrophobicContact CG2-CD1 4.03Å; I187-L230 HydrophobicContact CG1-CB 4.15Å; I187-L230 HydrophobicContact CG1-CD1 4Å; I187-A308 HydrophobicContact CG1-CB 4.37Å; I187-A308 HydrophobicContact CG2-CB 3.57Å
188	V	93.6	Very high	92.1	Very high	29 Å²	29	71.1 Å²	71.1	18%	0.176	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.8	177	-167.4	0	0	0	0	108.9	I186 T190 L218 V229 L230 G232	I186-V188 HydrophobicContact CG2-CG2 4.26Å; V188-T190 VanDerWaalsContact C-N 3.28Å; V188-T190 HydrophobicContact CB-CG2 4.29Å; V188-T190 HydrophobicContact CG1-CG2 3.79Å; V188-T190 PolarHBondContact O-N 2.84Å; V188-L218 HydrophobicContact CG2-CD2 3.29Å; V188-V229 HydrophobicContact CG2-CG1 4.13Å; V188-L230 PolarHBondContact N-O 3.35Å; V188-G232 WeakPolarHBondContact O-CA 3.43Å; V188-G232 PolarHBondContact O-N 2.85Å
189	M	95.1	Very high	92.7	Very high	99 Å²	99	64 Å²	64	49%	0.488	33%	0.328	S	S	.	.			trans	-74.3	80.7	177.1	-61.8	-173.5	-73.5	0	0	110.4	Y191	M189-Y191 HydrophobicContact CB-CE1 4.3Å; M189-Y191 HydrophobicContact CB-CE2 3.94Å; M189-Y191 HydrophobicContact CG-CE2 4.26Å; M189-Y191 WeakPolarHBondContact CG-OH 3.39Å; M189-Y191 PolarHBondContact O-N 3.46Å; M189-Y191 VanDerWaalsContact O-N 3.07Å; M189-Y191 HydrophobicContact SD-CE2 4.45Å
190	T	97.4	Very high	93.2	Very high	1 Å²	1	67 Å²	67	1%	0.006	35%	0.346	C	S	.	.			trans	-84.5	49.7	179.1	44.6	0	0	0	0	112.2	V188 A206 W210 V211 C214 V215 M231 G232	V188-T190 VanDerWaalsContact C-N 3.28Å; V188-T190 HydrophobicContact CB-CG2 4.29Å; V188-T190 HydrophobicContact CG1-CG2 3.79Å; V188-T190 PolarHBondContact O-N 2.84Å; T190-A206 WeakPolarHBondContact O-CB 3.38Å; T190-W210 VanDerWaalsContact C-CH2 3.48Å; T190-W210 WeakPolarHBondContact O-CZ3 3.21Å; T190-V211 HydrophobicContact CG2-CG1 4.33Å; T190-C214 HydrophobicContact CG2-CB 3.95Å; T190-V215 HydrophobicContact CG2-CG2 3.99Å; T190-M231 WeakPolarHBondContact OG1-CG 3.48Å; T190-G232 PolarHBondContact OG1-N 3.39Å; T190-G232 PolarHBondContact OG1-O 2.92Å
191	Y	98.2	Very high	93.6	Very high	12 Å²	12	71.9 Å²	71.9	5%	0.047	37%	0.372	C	S	.	.			trans	-145.7	179.3	173.6	44.1	-101.8	0	0	0	109.4	M189 Y193 V205 N234 Y236 W310	M189-Y191 HydrophobicContact CB-CE1 4.3Å; M189-Y191 HydrophobicContact CB-CE2 3.94Å; M189-Y191 HydrophobicContact CG-CE2 4.26Å; M189-Y191 WeakPolarHBondContact CG-OH 3.39Å; M189-Y191 PolarHBondContact O-N 3.46Å; M189-Y191 VanDerWaalsContact O-N 3.07Å; M189-Y191 HydrophobicContact SD-CE2 4.45Å; Y191-Y193 VanDerWaalsContact C-N 3.35Å; Y191-V205 CarbonylContact C-O 3.57Å; Y191-N234 HydrophobicContact CD1-CB 4.15Å; Y191-N234 HydrophobicContact CG-CB 3.94Å; Y191-Y236 WeakPolarHBondContact CD2-OH 3.26Å; Y191-W310 HydrophobicContact CE1-CB 4.17Å; Y191-W310 HydrophobicContact CE2-CB 4.42Å; Y191-W310 VanDerWaalsContact OH-CB 3.3Å; Y191-W310 WeakPolarHBondContact OH-CB 3.42Å
192	D	97	Very high	94	Very high	57 Å²	57	69 Å²	69	31%	0.305	36%	0.355	S	S	.	.			trans	56.9	44	-169.7	-58.9	-38.8	0	0	0	113	N194 G195 V205 Y236 Y238	D192-N194 VanDerWaalsContact C-N 3.31Å; D192-N194 PolarHBondContact O-N 3.44Å; D192-G195 WeakPolarHBondContact O-CA 3.49Å; D192-G195 PolarHBondContact O-N 2.81Å; D192-V205 PolarHBondContact N-O 2.87Å; D192-Y236 PolarHBondContact OD1-OH 3.48Å; D192-Y236 PolarHBondContact OD2-OH 3.22Å; D192-Y238 WeakPolarHBondContact OD1-CE2 3.44Å; D192-Y238 PolarHBondContact OD1-OH 3.47Å
193	Y	97.6	Very high	94.3	Very high	102 Å²	102	62.8 Å²	62.8	40%	0.4	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-46	-174.7	174.6	-112.9	0	0	0	114.1	Y191 G195 P204 V205 P207 W210	Y191-Y193 VanDerWaalsContact C-N 3.35Å; Y193-G195 VanDerWaalsContact C-N 3.3Å; Y193-P204 HydrophobicContact CD1-CG 4.39Å; Y193-V205 WeakPolarHBondContact CB-O 3.32Å; Y193-V205 PolarHBondContact N-O 2.92Å; Y193-P207 HydrophobicContact CD1-CG 3.8Å; Y193-P207 HydrophobicContact CD2-CG 4.04Å; Y193-P207 HydrophobicContact CE1-CG 4.17Å; Y193-P207 HydrophobicContact CE2-CG 4.38Å; Y193-P207 HydrophobicContact CG-CG 3.73Å; Y193-W210 HydrophobicContact CD2-CB 4.22Å; Y193-W210 AromaticContact CD2-CD1 3.8Å; Y193-W210 AromaticContact CD2-CD2 3.38Å; Y193-W210 HydrophobicContact CD2-CD2 3.38Å; Y193-W210 AromaticContact CD2-CE2 3.58Å; Y193-W210 AromaticContact CD2-CE3 3.81Å; Y193-W210 HydrophobicContact CD2-CE3 3.81Å; Y193-W210 AromaticContact CD2-CG 3.54Å; Y193-W210 HydrophobicContact CD2-CG 3.54Å; Y193-W210 HydrophobicContact CD2-CH2 4.49Å; Y193-W210 HydrophobicContact CD2-CZ2 4.17Å; Y193-W210 HydrophobicContact CD2-CZ3 4.33Å; Y193-W210 AromaticContact CD2-NE1 3.81Å; Y193-W210 HydrophobicContact CE2-CB 4.04Å; Y193-W210 AromaticContact CE2-CD1 3.57Å; Y193-W210 AromaticContact CE2-CD2 3.94Å; Y193-W210 HydrophobicContact CE2-CD2 3.94Å; Y193-W210 AromaticContact CE2-CG 3.57Å; Y193-W210 HydrophobicContact CE2-CG 3.57Å; Y193-W210 AromaticContact CE2-NE1 3.9Å; Y193-W210 HydrophobicContact CG-CD2 4.34Å; Y193-W210 HydrophobicContact CG-CE3 4.35Å
194	N	95.3	Very high	94.5	Very high	26 Å²	26	61.5 Å²	61.5	14%	0.139	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.2	178.4	-71.7	-30.3	0	0	0	113.1	D192 R196 N197 G198 L201 G202	D192-N194 VanDerWaalsContact C-N 3.31Å; D192-N194 PolarHBondContact O-N 3.44Å; N194-R196 PolarHBondContact O-N 3.19Å; N194-N197 WeakPolarHBondContact O-CA 3.47Å; N194-N197 WeakPolarHBondContact O-CB 3.45Å; N194-N197 PolarHBondContact O-N 3.17Å; N194-G198 PolarHBondContact O-N 2.94Å; N194-L201 HydrophobicContact CB-CB 4.31Å; N194-L201 HydrophobicContact CB-CD1 4.23Å; N194-G202 PolarHBondContact ND2-O 3.4Å
195	G	91	Very high	94.7	Very high	48 Å²	48	55.2 Å²	55.2	50%	0.495	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	46.2	-129.9	179.4	0	0	0	0	0	112.6	D192 Y193 N197 G198	D192-G195 WeakPolarHBondContact O-CA 3.49Å; D192-G195 PolarHBondContact O-N 2.81Å; Y193-G195 VanDerWaalsContact C-N 3.3Å; G195-N197 PolarHBondContact O-N 3.21Å; G195-N197 VanDerWaalsContact O-N 3.12Å; G195-G198 PolarHBondContact O-N 2.96Å
196	R	87.3	Confident	94.9	Very high	250 Å²	250	52.3 Å²	52.3	94%	0.943	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-62.7	-17.5	178.7	-63.1	-176.9	-176.6	177.2	0	114.2	N194 G198	N194-R196 PolarHBondContact O-N 3.19Å; R196-G198 VanDerWaalsContact C-N 3.33Å
197	N	93.3	Very high	95.2	Very high	101 Å²	101	52.3 Å²	52.3	54%	0.54	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-89.7	1	178.3	-59.4	-35.5	0	0	0	112.5	N194 G195 A199 V200 L201	N194-N197 WeakPolarHBondContact O-CA 3.47Å; N194-N197 WeakPolarHBondContact O-CB 3.45Å; N194-N197 PolarHBondContact O-N 3.17Å; G195-N197 PolarHBondContact O-N 3.21Å; G195-N197 VanDerWaalsContact O-N 3.12Å; N197-A199 PolarHBondContact O-N 3.41Å; N197-V200 PolarHBondContact O-N 2.93Å; N197-L201 HydrophobicContact CB-CD1 3.69Å; N197-L201 HydrophobicContact CB-CG 4.04Å; N197-L201 PolarHBondContact O-N 3.2Å
198	G	92.5	Very high	95.4	Very high	5 Å²	5	51.5 Å²	51.5	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-53.8	-37.9	-178.3	0	0	0	0	0	113.5	N194 G195 R196 V200 G202 Y240	N194-G198 PolarHBondContact O-N 2.94Å; G195-G198 PolarHBondContact O-N 2.96Å; R196-G198 VanDerWaalsContact C-N 3.33Å; G198-V200 PolarHBondContact O-N 2.8Å; G198-G202 WeakPolarHBondContact O-CA 3.31Å; G198-G202 PolarHBondContact O-N 2.81Å; G198-Y240 VanDerWaalsContact O-CD1 3.25Å; G198-Y240 WeakPolarHBondContact O-CD1 3.5Å; G198-Y240 VanDerWaalsContact O-CE1 3.27Å; G198-Y240 WeakPolarHBondContact O-CE1 3.12Å
199	A	93	Very high	95.6	Very high	31 Å²	31	53.9 Å²	53.9	26%	0.256	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-28.4	177.7	0	0	0	0	0	114.1	N197 L245 A247	N197-A199 PolarHBondContact O-N 3.41Å; A199-L245 WeakPolarHBondContact CB-O 3.09Å; A199-A247 HydrophobicContact CB-CB 4.14Å
200	V	93.7	Very high	95.7	Very high	109 Å²	109	51.2 Å²	51.2	66%	0.661	28%	0.275	S	S	*	.	H	α-helix	trans	-94.6	-39.3	-179.9	179.6	0	0	0	0	111.2	N197 G198	N197-V200 PolarHBondContact O-N 2.93Å; G198-V200 PolarHBondContact O-N 2.8Å
201	L	94.7	Very high	95.8	Very high	103 Å²	103	51.1 Å²	51.1	54%	0.539	27%	0.274	S	S	.	.	H	α-helix	trans	-88.6	-23	-174.3	-62.7	179	0	0	0	113.4	N194 N197	N194-L201 HydrophobicContact CB-CB 4.31Å; N194-L201 HydrophobicContact CB-CD1 4.23Å; N197-L201 HydrophobicContact CB-CD1 3.69Å; N197-L201 HydrophobicContact CB-CG 4.04Å; N197-L201 PolarHBondContact O-N 3.2Å
202	G	95.3	Very high	95.8	Very high	12 Å²	12	54.6 Å²	54.6	12%	0.124	29%	0.287	C	S	.	.			trans	75.7	-155.9	-176	0	0	0	0	0	113.2	N194 G198 Y240	N194-G202 PolarHBondContact ND2-O 3.4Å; G198-G202 WeakPolarHBondContact O-CA 3.31Å; G198-G202 PolarHBondContact O-N 2.81Å; G202-Y240 VanDerWaalsContact C-CE1 3.47Å; G202-Y240 WeakPolarHBondContact O-CE1 3.37Å
203	P	96.7	Very high	95.7	Very high	29 Å²	29	58.8 Å²	58.8	19%	0.188	30%	0.299	C	S	.	.			trans	-66.1	163.3	173.4	30.1	-34.9	0	0	0	111.7	Y240 F276 V284 N286	P203-Y240 HydrophobicContact CB-CD2 4.37Å; P203-Y240 HydrophobicContact CB-CE2 3.86Å; P203-Y240 HydrophobicContact CG-CD2 4.41Å; P203-Y240 HydrophobicContact CG-CE2 4.38Å; P203-F276 HydrophobicContact CB-CD1 3.95Å; P203-F276 HydrophobicContact CB-CE1 3.62Å; P203-F276 HydrophobicContact CB-CZ 3.92Å; P203-F276 HydrophobicContact CG-CD1 4.24Å; P203-F276 HydrophobicContact CG-CD2 4.42Å; P203-F276 HydrophobicContact CG-CE1 4.19Å; P203-F276 HydrophobicContact CG-CE2 4.32Å; P203-F276 HydrophobicContact CG-CG 4.39Å; P203-F276 HydrophobicContact CG-CZ 4.23Å; P203-V284 HydrophobicContact CG-CG1 4.05Å; P203-V284 HydrophobicContact CG-CG2 4.39Å; P203-N286 HydrophobicContact CB-CB 3.75Å
204	P	97.7	Very high	95.6	Very high	24 Å²	24	55.9 Å²	55.9	16%	0.156	29%	0.293	C	S	.	.			cis	-92.5	163.5	9.3	34.5	-35.6	0	0	0	115.3	Y193 P207 A272 F276 N286	Y193-P204 HydrophobicContact CD1-CG 4.39Å; P204-P207 HydrophobicContact CB-CB 4.27Å; P204-P207 HydrophobicContact CB-CG 4.36Å; P204-P207 HydrophobicContact CG-CB 3.67Å; P204-P207 HydrophobicContact CG-CG 3.56Å; P204-A272 HydrophobicContact CB-CB 3.85Å; P204-A272 HydrophobicContact CG-CB 4.04Å; P204-F276 HydrophobicContact CB-CE1 4.19Å; P204-F276 HydrophobicContact CB-CZ 4.14Å; P204-N286 WeakPolarHBondContact CA-OD1 3.47Å
205	V	98	Very high	95.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	29%	0.286	C	S	.	.	S	Bend	trans	-80.7	-44.5	175.2	-179.8	0	0	0	0	111.4	Y191 D192 Y193 N234 Y238 E274 N286	Y191-V205 CarbonylContact C-O 3.57Å; D192-V205 PolarHBondContact N-O 2.87Å; Y193-V205 WeakPolarHBondContact CB-O 3.32Å; Y193-V205 PolarHBondContact N-O 2.92Å; V205-N234 WeakPolarHBondContact CG1-ND2 3.34Å; V205-Y238 HydrophobicContact CG1-CD2 4.4Å; V205-Y238 HydrophobicContact CG1-CE2 4.31Å; V205-Y238 HydrophobicContact CG2-CD2 3.68Å; V205-Y238 HydrophobicContact CG2-CE2 4.37Å; V205-E274 PolarHBondContact N-OE2 3.24Å; V205-N286 HydrophobicContact CG2-CB 4.2Å; V205-N286 WeakPolarHBondContact CG2-OD1 3.39Å; V205-N286 PolarHBondContact N-OD1 2.93Å
206	A	98.4	Very high	95.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-148.2	67.9	-175.3	0	0	0	0	0	112.2	T190 L208 V211 E274 K296	T190-A206 WeakPolarHBondContact O-CB 3.38Å; A206-L208 PolarHBondContact O-N 3.33Å; A206-V211 HydrophobicContact CB-CG2 4.27Å; A206-E274 PolarHBondContact N-OE1 3.27Å; A206-K296 WeakPolarHBondContact O-CE 3.42Å
207	P	98.4	Very high	95.7	Very high	12 Å²	12	47 Å²	47	8%	0.078	25%	0.25	C	C	.	.			trans	-60.2	125.2	-175.7	20.7	-26.6	0	0	0	111.5	Y193 P204 P209 W210 V211 A272	Y193-P207 HydrophobicContact CD1-CG 3.8Å; Y193-P207 HydrophobicContact CD2-CG 4.04Å; Y193-P207 HydrophobicContact CE1-CG 4.17Å; Y193-P207 HydrophobicContact CE2-CG 4.38Å; Y193-P207 HydrophobicContact CG-CG 3.73Å; P204-P207 HydrophobicContact CB-CB 4.27Å; P204-P207 HydrophobicContact CB-CG 4.36Å; P204-P207 HydrophobicContact CG-CB 3.67Å; P204-P207 HydrophobicContact CG-CG 3.56Å; P207-P209 VanDerWaalsContact C-CD 3.49Å; P207-W210 HydrophobicContact CG-CB 3.95Å; P207-W210 HydrophobicContact CG-CE3 4.34Å; P207-W210 WeakPolarHBondContact O-CB 3.44Å; P207-W210 PolarHBondContact O-N 3.43Å; P207-V211 WeakPolarHBondContact O-CG2 3.26Å; P207-V211 PolarHBondContact O-N 2.83Å; P207-A272 CarbonylContact C-O 3.46Å; P207-A272 WeakPolarHBondContact CA-O 3.25Å; P207-A272 HydrophobicContact CB-CB 4.1Å
208	L	98.5	Very high	95.3	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-55.9	-39.3	-171.4	-168.1	73.1	0	0	0	114.1	A206 W210 V211 R212 A272 A273 K296 L299	A206-L208 PolarHBondContact O-N 3.33Å; L208-W210 VanDerWaalsContact C-N 3.3Å; L208-W210 PolarHBondContact O-N 3.42Å; L208-V211 PolarHBondContact O-N 3.07Å; L208-R212 WeakPolarHBondContact O-CB 3.46Å; L208-R212 PolarHBondContact O-N 3.46Å; L208-A272 PolarHBondContact N-O 3.21Å; L208-A273 HydrophobicContact CB-CB 3.79Å; L208-A273 HydrophobicContact CD2-CB 3.94Å; L208-K296 HydrophobicContact CD1-CG 3.87Å; L208-L299 HydrophobicContact CD1-CB 4.24Å; L208-L299 HydrophobicContact CD1-CD2 3.67Å; L208-L299 HydrophobicContact CG-CD2 4.33Å
209	P	98.3	Very high	94.9	Very high	79 Å²	79	43.9 Å²	43.9	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-35.2	175.5	-25	36	0	0	0	113.7	P207 R213 K271	P207-P209 VanDerWaalsContact C-CD 3.49Å; P209-R213 PolarHBondContact O-N 2.85Å; P209-R213 VanDerWaalsContact O-N 3.11Å; P209-K271 WeakPolarHBondContact CD-O 3.31Å; P209-K271 WeakPolarHBondContact CG-O 3.19Å
210	W	98.2	Very high	94.3	Very high	43 Å²	43	49.9 Å²	49.9	16%	0.163	26%	0.255	C	S	.	.	H	α-helix	trans	-71.4	-45	175.1	165.2	73.6	0	0	0	111.2	T190 Y193 P207 L208 R212 R213 C214	T190-W210 VanDerWaalsContact C-CH2 3.48Å; T190-W210 WeakPolarHBondContact O-CZ3 3.21Å; Y193-W210 HydrophobicContact CD2-CB 4.22Å; Y193-W210 AromaticContact CD2-CD1 3.8Å; Y193-W210 AromaticContact CD2-CD2 3.38Å; Y193-W210 HydrophobicContact CD2-CD2 3.38Å; Y193-W210 AromaticContact CD2-CE2 3.58Å; Y193-W210 AromaticContact CD2-CE3 3.81Å; Y193-W210 HydrophobicContact CD2-CE3 3.81Å; Y193-W210 AromaticContact CD2-CG 3.54Å; Y193-W210 HydrophobicContact CD2-CG 3.54Å; Y193-W210 HydrophobicContact CD2-CH2 4.49Å; Y193-W210 HydrophobicContact CD2-CZ2 4.17Å; Y193-W210 HydrophobicContact CD2-CZ3 4.33Å; Y193-W210 AromaticContact CD2-NE1 3.81Å; Y193-W210 HydrophobicContact CE2-CB 4.04Å; Y193-W210 AromaticContact CE2-CD1 3.57Å; Y193-W210 AromaticContact CE2-CD2 3.94Å; Y193-W210 HydrophobicContact CE2-CD2 3.94Å; Y193-W210 AromaticContact CE2-CG 3.57Å; Y193-W210 HydrophobicContact CE2-CG 3.57Å; Y193-W210 AromaticContact CE2-NE1 3.9Å; Y193-W210 HydrophobicContact CG-CD2 4.34Å; Y193-W210 HydrophobicContact CG-CE3 4.35Å; P207-W210 HydrophobicContact CG-CB 3.95Å; P207-W210 HydrophobicContact CG-CE3 4.34Å; P207-W210 WeakPolarHBondContact O-CB 3.44Å; P207-W210 PolarHBondContact O-N 3.43Å; L208-W210 VanDerWaalsContact C-N 3.3Å; L208-W210 PolarHBondContact O-N 3.42Å; W210-R212 VanDerWaalsContact C-N 3.34Å; W210-R212 PolarHBondContact O-N 3.5Å; W210-R213 PolarHBondContact O-N 2.97Å; W210-R213 VanDerWaalsContact O-N 3.16Å; W210-C214 PolarHBondContact NE1-SG 3.46Å; W210-C214 PolarHBondContact O-N 3.16Å
211	V	98.4	Very high	93.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.1	-52.7	175	176.5	0	0	0	0	109.8	T190 A206 P207 L208 R213 C214 V215 M231 L299	T190-V211 HydrophobicContact CG2-CG1 4.33Å; A206-V211 HydrophobicContact CB-CG2 4.27Å; P207-V211 WeakPolarHBondContact O-CG2 3.26Å; P207-V211 PolarHBondContact O-N 2.83Å; L208-V211 PolarHBondContact O-N 3.07Å; V211-R213 VanDerWaalsContact C-N 3.33Å; V211-R213 PolarHBondContact O-N 3.01Å; V211-C214 PolarHBondContact O-N 2.92Å; V211-V215 HydrophobicContact CG1-CG2 4.36Å; V211-V215 WeakPolarHBondContact O-CG2 3.24Å; V211-V215 PolarHBondContact O-N 2.88Å; V211-M231 HydrophobicContact CG1-CE 4.3Å; V211-M231 HydrophobicContact CG1-CG 4.02Å; V211-M231 HydrophobicContact CG1-SD 3.38Å; V211-M231 WeakPolarHBondContact CG1-SD 3.5Å; V211-L299 HydrophobicContact CB-CD2 4.32Å; V211-L299 HydrophobicContact CG1-CD2 3.83Å
212	R	97.7	Very high	92.3	Very high	85 Å²	85	42.6 Å²	42.6	32%	0.321	22%	0.22	S	C	.	.	H	α-helix	trans	-52.9	-49.1	176.3	175.2	179.3	-68.8	-86	5.1	111.7	L208 W210 V215 T216 L299 E302	L208-R212 WeakPolarHBondContact O-CB 3.46Å; L208-R212 PolarHBondContact O-N 3.46Å; W210-R212 VanDerWaalsContact C-N 3.34Å; W210-R212 PolarHBondContact O-N 3.5Å; R212-V215 PolarHBondContact O-N 3.44Å; R212-T216 WeakPolarHBondContact O-CB 3.35Å; R212-T216 PolarHBondContact O-N 2.7Å; R212-T216 PolarHBondContact O-OG1 3.11Å; R212-L299 HydrophobicContact CB-CD1 3.92Å; R212-L299 HydrophobicContact CB-CD2 3.94Å; R212-L299 HydrophobicContact CG-CD1 3.97Å; R212-L299 VanDerWaalsContact NH2-CD1 3.34Å; R212-E302 IonicContact CZ-OE1 3.33Å; R212-E302 IonicContact CZ-OE2 3.6Å; R212-E302 VanDerWaalsContact NH1-CD 3.28Å; R212-E302 IonicContact NH1-OE1 3.59Å; R212-E302 PolarHBondContact NH1-OE1 3.03Å; R212-E302 IonicContact NH1-OE2 2.69Å; R212-E302 PolarHBondContact NH1-OE2 3.38Å; R212-E302 IonicContact NH2-OE1 3.61Å; R212-E302 IonicContact NH2-OE2 3.24Å; R212-E302 PolarHBondContact NH2-OE2 3.28Å
213	R	96.5	Very high	90.9	Very high	145 Å²	145	49.7 Å²	49.7	55%	0.547	25%	0.25	S	S	.	.	H	α-helix	trans	-59.1	-51.8	179.5	-173.8	179.6	69.8	-144.8	6.2	110.9	P209 W210 V211 V215 T216 E217	P209-R213 PolarHBondContact O-N 2.85Å; P209-R213 VanDerWaalsContact O-N 3.11Å; W210-R213 PolarHBondContact O-N 2.97Å; W210-R213 VanDerWaalsContact O-N 3.16Å; V211-R213 VanDerWaalsContact C-N 3.33Å; V211-R213 PolarHBondContact O-N 3.01Å; R213-V215 PolarHBondContact O-N 2.93Å; R213-T216 PolarHBondContact O-N 3.41Å; R213-E217 HydrophobicContact CG-CG 4.38Å; R213-E217 WeakPolarHBondContact O-CB 3.46Å; R213-E217 VanDerWaalsContact O-CG 3.28Å; R213-E217 WeakPolarHBondContact O-CG 3.22Å; R213-E217 PolarHBondContact O-N 3.3Å
214	C	94.5	Very high	89.4	Confident	40 Å²	40	51.6 Å²	51.6	27%	0.27	26%	0.264	S	S	.	.	H	α-helix	trans	-57.5	-47.7	-179.3	-76.4	0	0	0	0	112.5	T190 W210 V211 L218	T190-C214 HydrophobicContact CG2-CB 3.95Å; W210-C214 PolarHBondContact NE1-SG 3.46Å; W210-C214 PolarHBondContact O-N 3.16Å; V211-C214 PolarHBondContact O-N 2.92Å; C214-L218 PolarHBondContact O-N 2.86Å
215	V	94.3	Very high	88.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.9	-42.1	-178.9	-179.2	0	0	0	0	111.3	T190 V211 R212 R213 E217 L218 A219 V229 M231 L303 V305	T190-V215 HydrophobicContact CG2-CG2 3.99Å; V211-V215 HydrophobicContact CG1-CG2 4.36Å; V211-V215 WeakPolarHBondContact O-CG2 3.24Å; V211-V215 PolarHBondContact O-N 2.88Å; R212-V215 PolarHBondContact O-N 3.44Å; R213-V215 PolarHBondContact O-N 2.93Å; V215-E217 PolarHBondContact O-N 2.66Å; V215-L218 PolarHBondContact O-N 2.68Å; V215-A219 WeakPolarHBondContact O-CB 3.39Å; V215-A219 PolarHBondContact O-N 2.99Å; V215-V229 HydrophobicContact CG1-CG1 4.25Å; V215-M231 HydrophobicContact CG2-CB 4.09Å; V215-M231 HydrophobicContact CG2-CG 3.59Å; V215-M231 HydrophobicContact CG2-SD 3.78Å; V215-L303 HydrophobicContact CB-CD1 3.86Å; V215-L303 HydrophobicContact CG1-CD1 3.58Å; V215-V305 HydrophobicContact CG1-CB 4.42Å; V215-V305 HydrophobicContact CG1-CG1 3.81Å; V215-V305 HydrophobicContact CG1-CG2 4Å
216	T	92.2	Very high	87.5	Confident	25 Å²	25	54 Å²	54	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-45	179.6	-60.6	0	0	0	0	111.4	R212 R213 L218 A219 K220	R212-T216 WeakPolarHBondContact O-CB 3.35Å; R212-T216 PolarHBondContact O-N 2.7Å; R212-T216 PolarHBondContact O-OG1 3.11Å; R213-T216 PolarHBondContact O-N 3.41Å; T216-L218 VanDerWaalsContact C-N 3.33Å; T216-L218 PolarHBondContact O-N 3.18Å; T216-A219 PolarHBondContact O-N 3.16Å; T216-K220 HydrophobicContact CG2-CD 3.85Å; T216-K220 HydrophobicContact CG2-CG 4.28Å; T216-K220 VanDerWaalsContact O-CB 3.31Å; T216-K220 WeakPolarHBondContact O-CB 3.48Å; T216-K220 VanDerWaalsContact O-CG 3.25Å; T216-K220 WeakPolarHBondContact O-CG 3.25Å; T216-K220 PolarHBondContact O-N 2.86Å
217	E	88.6	Confident	86.9	Confident	112 Å²	112	60.4 Å²	60.4	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-39.8	178.9	-67.9	-54.4	121.5	0	0	111.4	R213 V215 A221	R213-E217 HydrophobicContact CG-CG 4.38Å; R213-E217 WeakPolarHBondContact O-CB 3.46Å; R213-E217 VanDerWaalsContact O-CG 3.28Å; R213-E217 WeakPolarHBondContact O-CG 3.22Å; R213-E217 PolarHBondContact O-N 3.3Å; V215-E217 PolarHBondContact O-N 2.66Å; E217-A221 VanDerWaalsContact O-CB 3.22Å; E217-A221 WeakPolarHBondContact O-CB 3.22Å; E217-A221 PolarHBondContact O-N 3.24Å
218	L	86	Confident	86.6	Confident	23 Å²	23	62 Å²	62	12%	0.12	32%	0.317	C	S	.	.	H	α-helix	trans	-69.2	-45.4	176.3	-164.9	80.7	0	0	0	112	L176 I186 V188 C214 V215 T216 K220 A221 S222 V229	L176-L218 HydrophobicContact CB-CD1 4.01Å; L176-L218 HydrophobicContact CD1-CD1 3.98Å; I186-L218 HydrophobicContact CB-CD2 4.37Å; I186-L218 HydrophobicContact CG2-CD2 3.79Å; V188-L218 HydrophobicContact CG2-CD2 3.29Å; C214-L218 PolarHBondContact O-N 2.86Å; V215-L218 PolarHBondContact O-N 2.68Å; T216-L218 VanDerWaalsContact C-N 3.33Å; T216-L218 PolarHBondContact O-N 3.18Å; L218-K220 PolarHBondContact O-N 3.5Å; L218-A221 PolarHBondContact O-N 3.33Å; L218-A221 VanDerWaalsContact O-N 3.17Å; L218-S222 PolarHBondContact O-N 3.05Å; L218-V229 HydrophobicContact CD2-CG1 3.99Å; L218-V229 HydrophobicContact CD2-CG2 3.81Å; L218-V229 HydrophobicContact CG-CG2 4.35Å
219	A	83.5	Confident	86.4	Confident	19 Å²	19	60.6 Å²	60.6	16%	0.157	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-39.9	-178.8	0	0	0	0	0	112	V215 T216 A221	V215-A219 WeakPolarHBondContact O-CB 3.39Å; V215-A219 PolarHBondContact O-N 2.99Å; T216-A219 PolarHBondContact O-N 3.16Å; A219-A221 VanDerWaalsContact C-N 3.29Å; A219-A221 PolarHBondContact O-N 3.39Å
220	K	81.1	Confident	86.3	Confident	156 Å²	156	56.9 Å²	56.9	68%	0.678	29%	0.286	S	S	*	.	H	α-helix	trans	-66.1	-31.6	174.3	-76.3	175.3	-179.9	169.7	0	113.1	T216 L218	T216-K220 HydrophobicContact CG2-CD 3.85Å; T216-K220 HydrophobicContact CG2-CG 4.28Å; T216-K220 VanDerWaalsContact O-CB 3.31Å; T216-K220 WeakPolarHBondContact O-CB 3.48Å; T216-K220 VanDerWaalsContact O-CG 3.25Å; T216-K220 WeakPolarHBondContact O-CG 3.25Å; T216-K220 PolarHBondContact O-N 2.86Å; L218-K220 PolarHBondContact O-N 3.5Å
221	A	74.9	Confident	86.3	Confident	42 Å²	42	54.8 Å²	54.8	35%	0.347	28%	0.278	S	S	.	.	H	α-helix	trans	-87.3	-20	-176.7	0	0	0	0	0	113	L177 E217 L218 A219 Q223	L177-A221 HydrophobicContact CD1-CB 3.63Å; L177-A221 VanDerWaalsContact CD2-C 3.43Å; L177-A221 HydrophobicContact CD2-CB 3.72Å; L177-A221 VanDerWaalsContact CD2-O 3.26Å; L177-A221 WeakPolarHBondContact CD2-O 3.2Å; L177-A221 HydrophobicContact CG-CB 4.23Å; E217-A221 VanDerWaalsContact O-CB 3.22Å; E217-A221 WeakPolarHBondContact O-CB 3.22Å; E217-A221 PolarHBondContact O-N 3.24Å; L218-A221 PolarHBondContact O-N 3.33Å; L218-A221 VanDerWaalsContact O-N 3.17Å; A219-A221 VanDerWaalsContact C-N 3.29Å; A219-A221 PolarHBondContact O-N 3.39Å; A221-Q223 PolarHBondContact O-N 3.38Å
222	S	70.5	Confident	86.3	Confident	18 Å²	18	54.9 Å²	54.9	13%	0.126	28%	0.278	C	S	.	.			trans	-57	126.8	171.6	-178.7	0	0	0	0	110.3	L218 S224 S225	L218-S222 PolarHBondContact O-N 3.05Å; S222-S224 VanDerWaalsContact C-N 3.29Å; S222-S225 PolarHBondContact OG-N 2.87Å; S222-S225 PolarHBondContact OG-O 3.04Å
223	Q	66.9	Low	86.3	Confident	160 Å²	160	50.9 Å²	50.9	75%	0.748	26%	0.264	S	S	*	.	S	Bend	trans	-74.7	-27.4	178.3	-64.7	-179.7	25.5	0	0	111.3	E180 A221	E180-Q223 PolarHBondContact OE2-N 2.91Å; A221-Q223 PolarHBondContact O-N 3.38Å
224	S	65.4	Low	86.4	Confident	70 Å²	70	44 Å²	44	49%	0.49	24%	0.238	S	C	.	.	S	Bend	trans	-106.8	-18.1	-163.5	-47	0	0	0	0	115.7	E180 S222	E180-S224 VanDerWaalsContact CD-OG 3.27Å; E180-S224 WeakPolarHBondContact OE1-CB 3.49Å; E180-S224 PolarHBondContact OE1-OG 2.95Å; E180-S224 PolarHBondContact OE2-OG 2.98Å; E180-S224 VanDerWaalsContact OE2-OG 3.12Å; S222-S224 VanDerWaalsContact C-N 3.29Å
225	S	74.4	Confident	86.6	Confident	40 Å²	40	42.1 Å²	42.1	28%	0.28	23%	0.225	S	C	.	.			trans	151	156.8	171.2	178.2	0	0	0	0	110.9	S222 E227	S222-S225 PolarHBondContact OG-N 2.87Å; S222-S225 PolarHBondContact OG-O 3.04Å; S225-E227 PolarHBondContact O-N 2.8Å; S225-E227 WeakPolarHBondContact OG-CB 3.35Å; S225-E227 WeakPolarHBondContact OG-CG 3.46Å; S225-E227 PolarHBondContact OG-N 3.39Å
226	S	81.4	Confident	86.8	Confident	34 Å²	34	42.7 Å²	42.7	24%	0.238	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-61.1	-23.9	165.4	56.9	0	0	0	0	112.6	K228 V229 L303 G304	S226-K228 PolarHBondContact O-N 2.9Å; S226-K228 VanDerWaalsContact O-N 3.09Å; S226-V229 WeakPolarHBondContact O-CB 3.33Å; S226-V229 PolarHBondContact O-N 3.19Å; S226-L303 WeakPolarHBondContact CB-O 3.21Å; S226-L303 PolarHBondContact OG-O 3.32Å; S226-G304 CarbonylContact C-O 3.45Å; S226-G304 PolarHBondContact OG-O 2.81Å; S226-G304 VanDerWaalsContact OG-O 3.1Å
227	E	85.9	Confident	87.1	Confident	135 Å²	135	41.5 Å²	41.5	63%	0.631	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-61.4	-20.5	-177.8	-69.2	174	178.6	0	0	113.9	S225 V229	S225-E227 PolarHBondContact O-N 2.8Å; S225-E227 WeakPolarHBondContact OG-CB 3.35Å; S225-E227 WeakPolarHBondContact OG-CG 3.46Å; S225-E227 PolarHBondContact OG-N 3.39Å; E227-V229 VanDerWaalsContact C-N 3.32Å
228	K	91.7	Very high	87.6	Confident	45 Å²	45	38.6 Å²	38.6	20%	0.196	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-80.7	-8.7	174.4	-69.3	-162	178.6	178.5	0	113.8	E180 V183 N184 F185 I186 S226	E180-K228 HydrophobicContact CG-CD 4.29Å; E180-K228 PolarHBondContact O-NZ 2.89Å; E180-K228 VanDerWaalsContact OE1-CD 3.23Å; E180-K228 WeakPolarHBondContact OE1-CD 3.3Å; E180-K228 WeakPolarHBondContact OE1-CE 3.47Å; E180-K228 IonicContact OE1-NZ 2.72Å; E180-K228 PolarHBondContact OE1-NZ 3.05Å; V183-K228 PolarHBondContact O-NZ 3.07Å; N184-K228 WeakPolarHBondContact O-CG 3.29Å; F185-K228 CarbonylContact C-O 3.49Å; F185-K228 WeakPolarHBondContact CA-O 3.43Å; I186-K228 PolarHBondContact N-O 3.45Å; S226-K228 PolarHBondContact O-N 2.9Å; S226-K228 VanDerWaalsContact O-N 3.09Å
229	V	94	Very high	88.1	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.7	-178.6	-178.9	0	0	0	0	109.5	V188 V215 L218 S226 E227 V305 G306	V188-V229 HydrophobicContact CG2-CG1 4.13Å; V215-V229 HydrophobicContact CG1-CG1 4.25Å; L218-V229 HydrophobicContact CD2-CG1 3.99Å; L218-V229 HydrophobicContact CD2-CG2 3.81Å; L218-V229 HydrophobicContact CG-CG2 4.35Å; S226-V229 WeakPolarHBondContact O-CB 3.33Å; S226-V229 PolarHBondContact O-N 3.19Å; E227-V229 VanDerWaalsContact C-N 3.32Å; V229-V305 HydrophobicContact CB-CB 4.24Å; V229-V305 HydrophobicContact CB-CG1 3.89Å; V229-V305 HydrophobicContact CG1-CB 4.48Å; V229-V305 HydrophobicContact CG1-CG1 4.23Å; V229-V305 WeakPolarHBondContact O-CB 3.16Å; V229-G306 PolarHBondContact O-N 2.98Å
230	L	96.2	Very high	88.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.6	167.4	-56	-176.8	0	0	0	108.9	P46 L48 F185 I186 I187 V188 A308	P46-L230 HydrophobicContact CB-CD2 4.01Å; L48-L230 HydrophobicContact CB-CD1 3.92Å; L48-L230 HydrophobicContact CD1-CD1 4.25Å; F185-L230 HydrophobicContact CB-CD1 3.87Å; F185-L230 HydrophobicContact CB-CG 3.95Å; F185-L230 HydrophobicContact CD1-CD1 4.24Å; F185-L230 HydrophobicContact CD1-CD2 3.86Å; F185-L230 HydrophobicContact CD1-CG 3.94Å; F185-L230 HydrophobicContact CD2-CD1 4.27Å; F185-L230 HydrophobicContact CE1-CD2 4.23Å; F185-L230 HydrophobicContact CG-CD1 3.86Å; F185-L230 HydrophobicContact CG-CD2 4.33Å; F185-L230 HydrophobicContact CG-CG 4Å; I186-L230 PolarHBondContact O-N 2.93Å; I187-L230 HydrophobicContact CG1-CB 4.15Å; I187-L230 HydrophobicContact CG1-CD1 4Å; V188-L230 PolarHBondContact N-O 3.35Å; L230-A308 HydrophobicContact CB-CB 3.98Å
231	M	97.6	Very high	89.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.7	179.1	-177.1	179.2	84.5	0	0	110.7	T190 V211 V215 V233 K296 L299 A300 V305 G306 L307 A308	T190-M231 WeakPolarHBondContact OG1-CG 3.48Å; V211-M231 HydrophobicContact CG1-CE 4.3Å; V211-M231 HydrophobicContact CG1-CG 4.02Å; V211-M231 HydrophobicContact CG1-SD 3.38Å; V211-M231 WeakPolarHBondContact CG1-SD 3.5Å; V215-M231 HydrophobicContact CG2-CB 4.09Å; V215-M231 HydrophobicContact CG2-CG 3.59Å; V215-M231 HydrophobicContact CG2-SD 3.78Å; M231-V233 HydrophobicContact CE-CG2 4.18Å; M231-K296 HydrophobicContact CE-CB 3.77Å; M231-K296 HydrophobicContact CE-CG 4.44Å; M231-K296 WeakPolarHBondContact CE-O 3.43Å; M231-L299 HydrophobicContact SD-CD2 4.02Å; M231-L299 HydrophobicContact SD-CG 4.36Å; M231-A300 HydrophobicContact CE-CB 4.07Å; M231-V305 HydrophobicContact CB-CG2 4.17Å; M231-G306 PolarHBondContact N-O 2.81Å; M231-L307 HydrophobicContact CB-CD2 4.38Å; M231-L307 HydrophobicContact CE-CD2 3.81Å; M231-L307 CarbonylContact O-C 3.6Å; M231-L307 WeakPolarHBondContact O-CA 3.22Å; M231-A308 PolarHBondContact O-N 2.87Å
232	G	98.4	Very high	90.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.6	178.9	0	0	0	0	0	112.7	V188 T190 A308	V188-G232 WeakPolarHBondContact O-CA 3.43Å; V188-G232 PolarHBondContact O-N 2.85Å; T190-G232 PolarHBondContact OG1-N 3.39Å; T190-G232 PolarHBondContact OG1-O 2.92Å; G232-A308 CarbonylContact C-O 3.57Å; G232-A308 VanDerWaalsContact CA-O 3.3Å; G232-A308 WeakPolarHBondContact CA-O 3.2Å
233	V	98.7	Very high	91	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.2	174.7	179.7	0	0	0	0	109.3	M231 F235 I293 K296 L307 A308 I309 W310	M231-V233 HydrophobicContact CE-CG2 4.18Å; V233-F235 HydrophobicContact CG1-CD1 4.2Å; V233-F235 HydrophobicContact CG1-CE1 4.09Å; V233-I293 HydrophobicContact CG1-CD1 3.54Å; V233-K296 HydrophobicContact CG1-CD 4.41Å; V233-K296 HydrophobicContact CG2-CB 4.37Å; V233-L307 HydrophobicContact CG2-CD2 3.83Å; V233-A308 PolarHBondContact N-O 3.28Å; V233-I309 HydrophobicContact CB-CG1 4.38Å; V233-I309 WeakPolarHBondContact O-CA 3.39Å; V233-W310 PolarHBondContact O-N 3.48Å
234	N	98.5	Very high	92.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.2	176.2	60.4	-63.7	0	0	0	111.2	Y191 V205 Y236 K296 W310	Y191-N234 HydrophobicContact CD1-CB 4.15Å; Y191-N234 HydrophobicContact CG-CB 3.94Å; V205-N234 WeakPolarHBondContact CG1-ND2 3.34Å; N234-Y236 HydrophobicContact CB-CD1 4.01Å; N234-Y236 HydrophobicContact CB-CE1 3.68Å; N234-Y236 PolarHBondContact ND2-O 3.31Å; N234-K296 PolarHBondContact OD1-NZ 3.07Å; N234-W310 CarbonylContact C-O 3.56Å; N234-W310 WeakPolarHBondContact CA-O 3.18Å
235	F	98.6	Very high	93.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-102.7	0.9	171.5	-92.1	26.8	0	0	0	112.8	V233 Y287 I293 I309 W310 E311 Q314 G315 F319 Y320	V233-F235 HydrophobicContact CG1-CD1 4.2Å; V233-F235 HydrophobicContact CG1-CE1 4.09Å; F235-Y287 PolarHBondContact O-OH 3.35Å; F235-I293 HydrophobicContact CD1-CD1 4.12Å; F235-I293 HydrophobicContact CE1-CD1 3.99Å; F235-I293 HydrophobicContact CE1-CG1 4.38Å; F235-I293 HydrophobicContact CE1-CG2 4.24Å; F235-I309 HydrophobicContact CB-CG2 4.23Å; F235-I309 HydrophobicContact CD1-CG2 3.65Å; F235-I309 HydrophobicContact CD2-CG2 3.73Å; F235-I309 HydrophobicContact CE1-CG2 3.86Å; F235-I309 HydrophobicContact CE2-CG2 3.95Å; F235-I309 HydrophobicContact CG-CG2 3.59Å; F235-I309 HydrophobicContact CZ-CD1 4.28Å; F235-I309 HydrophobicContact CZ-CG2 4.01Å; F235-W310 PolarHBondContact N-O 3.19Å; F235-E311 WeakPolarHBondContact CB-O 3.45Å; F235-Q314 HydrophobicContact CB-CB 4.35Å; F235-Q314 CarbonylContact O-C 3.55Å; F235-G315 WeakPolarHBondContact O-CA 3.49Å; F235-G315 PolarHBondContact O-N 2.76Å; F235-F319 HydrophobicContact CD1-CD2 4.21Å; F235-F319 HydrophobicContact CD2-CD2 4.21Å; F235-F319 HydrophobicContact CE1-CB 4.35Å; F235-F319 HydrophobicContact CE1-CD2 4.09Å; F235-F319 HydrophobicContact CE2-CB 3.99Å; F235-F319 HydrophobicContact CE2-CD2 4.07Å; F235-F319 HydrophobicContact CG-CD2 4.27Å; F235-F319 HydrophobicContact CZ-CB 3.68Å; F235-F319 HydrophobicContact CZ-CD2 4.02Å; F235-F319 HydrophobicContact CZ-CG 4.3Å; F235-Y320 HydrophobicContact CE2-CD1 4.46Å; F235-Y320 AromaticContact CE2-CE1 3.68Å; F235-Y320 HydrophobicContact CE2-CE1 3.68Å; F235-Y320 AromaticContact CE2-CZ 3.8Å; F235-Y320 HydrophobicContact CZ-CE1 4.49Å
236	Y	98.5	Very high	94.6	Very high	11 Å²	11	39.4 Å²	39.4	4%	0.043	20%	0.2	C	C	.	.			trans	-105.3	168.7	165.3	68.5	-77.7	0	0	0	110.6	Y191 D192 N234 Y238 P288 W310 Q314	Y191-Y236 WeakPolarHBondContact CD2-OH 3.26Å; D192-Y236 PolarHBondContact OD1-OH 3.48Å; D192-Y236 PolarHBondContact OD2-OH 3.22Å; N234-Y236 HydrophobicContact CB-CD1 4.01Å; N234-Y236 HydrophobicContact CB-CE1 3.68Å; N234-Y236 PolarHBondContact ND2-O 3.31Å; Y236-Y238 HydrophobicContact CD2-CE2 4.32Å; Y236-Y238 HydrophobicContact CE2-CD2 4.34Å; Y236-Y238 AromaticContact CE2-CE2 3.57Å; Y236-Y238 HydrophobicContact CE2-CE2 3.57Å; Y236-Y238 AromaticContact CE2-CZ 3.71Å; Y236-P288 WeakPolarHBondContact O-CD 3.41Å; Y236-W310 AromaticContact CD1-CD1 3.88Å; Y236-W310 AromaticContact CE1-CD1 3.56Å; Y236-Q314 VanDerWaalsContact CD1-OE1 3.31Å
237	G	98.3	Very high	95.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-166.7	168.3	0	0	0	0	0	112.1	A249 I250 N286	G237-A249 WeakPolarHBondContact O-CA 3.36Å; G237-I250 PolarHBondContact N-O 3.33Å; G237-I250 PolarHBondContact O-N 3.21Å; G237-N286 WeakPolarHBondContact CA-O 3.23Å
238	Y	98.3	Very high	95.7	Very high	51 Å²	51	38.2 Å²	38.2	20%	0.2	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.7	167.3	-67.2	-88.3	0	0	0	111.7	D192 V205 Y236 A247 E248 A249 T285 N286	D192-Y238 WeakPolarHBondContact OD1-CE2 3.44Å; D192-Y238 PolarHBondContact OD1-OH 3.47Å; V205-Y238 HydrophobicContact CG1-CD2 4.4Å; V205-Y238 HydrophobicContact CG1-CE2 4.31Å; V205-Y238 HydrophobicContact CG2-CD2 3.68Å; V205-Y238 HydrophobicContact CG2-CE2 4.37Å; Y236-Y238 HydrophobicContact CD2-CE2 4.32Å; Y236-Y238 HydrophobicContact CE2-CD2 4.34Å; Y236-Y238 AromaticContact CE2-CE2 3.57Å; Y236-Y238 HydrophobicContact CE2-CE2 3.57Å; Y236-Y238 AromaticContact CE2-CZ 3.71Å; Y238-A247 HydrophobicContact CD1-CB 4.26Å; Y238-E248 CarbonylContact C-O 3.55Å; Y238-E248 VanDerWaalsContact CA-O 3.25Å; Y238-E248 WeakPolarHBondContact CA-O 3.5Å; Y238-A249 HydrophobicContact CD1-CB 4.43Å; Y238-A249 HydrophobicContact CE1-CB 4.27Å; Y238-T285 VanDerWaalsContact O-CA 3.31Å; Y238-T285 WeakPolarHBondContact O-CA 3.4Å; Y238-N286 PolarHBondContact N-O 3.28Å; Y238-N286 PolarHBondContact O-N 2.9Å
239	L	97.5	Very high	96	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.209	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.4	161.3	172.8	63.7	0	0	0	108.1	A247 E248 L258 I279 A283 T285	L239-A247 WeakPolarHBondContact O-CA 3.49Å; L239-E248 PolarHBondContact N-O 3.42Å; L239-E248 PolarHBondContact O-N 3.27Å; L239-L258 HydrophobicContact CD1-CD1 4.41Å; L239-I279 HydrophobicContact CD1-CD1 3.59Å; L239-A283 HydrophobicContact CD1-CB 4.13Å; L239-T285 WeakPolarHBondContact CD1-OG1 3.49Å
240	Y	97.4	Very high	96.2	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.035	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.1	176.1	-54.9	-87.2	0	0	0	109.4	G198 G202 P203 S246 A247 A283 V284 N286	G198-Y240 VanDerWaalsContact O-CD1 3.25Å; G198-Y240 WeakPolarHBondContact O-CD1 3.5Å; G198-Y240 VanDerWaalsContact O-CE1 3.27Å; G198-Y240 WeakPolarHBondContact O-CE1 3.12Å; G202-Y240 VanDerWaalsContact C-CE1 3.47Å; G202-Y240 WeakPolarHBondContact O-CE1 3.37Å; P203-Y240 HydrophobicContact CB-CD2 4.37Å; P203-Y240 HydrophobicContact CB-CE2 3.86Å; P203-Y240 HydrophobicContact CG-CD2 4.41Å; P203-Y240 HydrophobicContact CG-CE2 4.38Å; Y240-S246 WeakPolarHBondContact CA-O 3.48Å; Y240-A247 HydrophobicContact CD1-CB 3.69Å; Y240-A247 HydrophobicContact CE1-CB 3.76Å; Y240-A283 CarbonylContact O-C 3.59Å; Y240-A283 WeakPolarHBondContact O-CA 3.44Å; Y240-A283 WeakPolarHBondContact O-CB 3.46Å; Y240-V284 HydrophobicContact CD2-CG1 4.22Å; Y240-V284 WeakPolarHBondContact CD2-O 3.26Å; Y240-V284 HydrophobicContact CG-CG1 4.49Å; Y240-V284 PolarHBondContact N-O 3.22Å; Y240-V284 PolarHBondContact O-N 3.27Å; Y240-N286 HydrophobicContact CE2-CB 4.15Å
241	D	95	Very high	96.3	Very high	28 Å²	28	41.8 Å²	41.8	15%	0.15	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.7	175.5	-176.4	-35.9	0	0	0	108.5	D243 K244 L245 S246	D241-D243 VanDerWaalsContact C-N 3.33Å; D241-D243 WeakPolarHBondContact OD1-CB 3.25Å; D241-D243 PolarHBondContact OD1-N 3.48Å; D241-K244 HydrophobicContact CB-CB 4.18Å; D241-K244 HydrophobicContact CB-CD 4.38Å; D241-K244 HydrophobicContact CB-CG 4.48Å; D241-K244 PolarHBondContact OD1-N 3.03Å; D241-K244 VanDerWaalsContact OD2-CD 3.27Å; D241-K244 WeakPolarHBondContact OD2-CD 3.31Å; D241-K244 WeakPolarHBondContact OD2-CE 3.44Å; D241-K244 IonicContact OD2-NZ 3.99Å; D241-K244 PolarHBondContact OD2-NZ 3.46Å; D241-L245 WeakPolarHBondContact O-CA 3.38Å; D241-L245 PolarHBondContact O-N 3.44Å; D241-S246 PolarHBondContact N-O 3.23Å; D241-S246 PolarHBondContact O-N 2.96Å
242	T	88.8	Confident	96.3	Very high	86 Å²	86	41.9 Å²	41.9	53%	0.528	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-28.6	-174.9	58.7	0	0	0	0	112.7	K282	T242-K282 PolarHBondContact N-O 2.8Å; T242-K282 PolarHBondContact OG1-O 2.98Å
243	D	90.2	Very high	96.3	Very high	101 Å²	101	44.9 Å²	44.9	54%	0.54	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-38.9	179.7	-77	4.6	0	0	0	110.4	D241 K282	D241-D243 VanDerWaalsContact C-N 3.33Å; D241-D243 WeakPolarHBondContact OD1-CB 3.25Å; D241-D243 PolarHBondContact OD1-N 3.48Å; D243-K282 WeakPolarHBondContact OD2-CD 3.37Å; D243-K282 WeakPolarHBondContact OD2-CE 3.48Å; D243-K282 IonicContact OD2-NZ 2.65Å; D243-K282 PolarHBondContact OD2-NZ 3Å
244	K	93.3	Very high	96.2	Very high	141 Å²	141	47.2 Å²	47.2	61%	0.613	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.1	179.4	-63.4	179	-167.3	157.9	0	113.8	D241 S246	D241-K244 HydrophobicContact CB-CB 4.18Å; D241-K244 HydrophobicContact CB-CD 4.38Å; D241-K244 HydrophobicContact CB-CG 4.48Å; D241-K244 PolarHBondContact OD1-N 3.03Å; D241-K244 VanDerWaalsContact OD2-CD 3.27Å; D241-K244 WeakPolarHBondContact OD2-CD 3.31Å; D241-K244 WeakPolarHBondContact OD2-CE 3.44Å; D241-K244 IonicContact OD2-NZ 3.99Å; D241-K244 PolarHBondContact OD2-NZ 3.46Å; K244-S246 VanDerWaalsContact C-N 3.31Å; K244-S246 PolarHBondContact O-N 2.97Å
245	L	92.7	Very high	96.2	Very high	115 Å²	115	47.4 Å²	47.4	60%	0.602	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	56.1	-168.8	-65.2	172.9	0	0	0	110.5	A199 D241	A199-L245 WeakPolarHBondContact CB-O 3.09Å; D241-L245 WeakPolarHBondContact O-CA 3.38Å; D241-L245 PolarHBondContact O-N 3.44Å
246	S	94.7	Very high	96.2	Very high	25 Å²	25	48 Å²	48	18%	0.175	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.8	-176.7	68.3	0	0	0	0	111.8	Y240 D241 K244	Y240-S246 WeakPolarHBondContact CA-O 3.48Å; D241-S246 PolarHBondContact N-O 3.23Å; D241-S246 PolarHBondContact O-N 2.96Å; K244-S246 VanDerWaalsContact C-N 3.31Å; K244-S246 PolarHBondContact O-N 2.97Å
247	A	95.9	Very high	96.2	Very high	35 Å²	35	53.3 Å²	53.3	29%	0.289	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	103.7	169.9	0	0	0	0	0	107.9	A199 Y238 L239 Y240	A199-A247 HydrophobicContact CB-CB 4.14Å; Y238-A247 HydrophobicContact CD1-CB 4.26Å; L239-A247 WeakPolarHBondContact O-CA 3.49Å; Y240-A247 HydrophobicContact CD1-CB 3.69Å; Y240-A247 HydrophobicContact CE1-CB 3.76Å
248	E	96.2	Very high	96.2	Very high	110 Å²	110	54.3 Å²	54.3	51%	0.514	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.2	-178.5	-66.5	179	-176.8	0	0	109.6	Y238 L239 I250	Y238-E248 CarbonylContact C-O 3.55Å; Y238-E248 VanDerWaalsContact CA-O 3.25Å; Y238-E248 WeakPolarHBondContact CA-O 3.5Å; L239-E248 PolarHBondContact N-O 3.42Å; L239-E248 PolarHBondContact O-N 3.27Å; E248-I250 PolarHBondContact O-N 2.92Å
249	A	96.8	Very high	96.2	Very high	69 Å²	69	51.9 Å²	51.9	57%	0.57	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.4	176.7	0	0	0	0	0	110.1	G237 Y238	G237-A249 WeakPolarHBondContact O-CA 3.36Å; Y238-A249 HydrophobicContact CD1-CB 4.43Å; Y238-A249 HydrophobicContact CE1-CB 4.27Å
250	I	97.9	Very high	96.2	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.5	177.4	-165.3	174	0	0	0	110.3	G237 E248 Y255 L258 T285 Y287	G237-I250 PolarHBondContact N-O 3.33Å; G237-I250 PolarHBondContact O-N 3.21Å; E248-I250 PolarHBondContact O-N 2.92Å; I250-Y255 HydrophobicContact CD1-CD2 4.32Å; I250-L258 HydrophobicContact CD1-CD1 3.65Å; I250-T285 HydrophobicContact CD1-CG2 4.33Å; I250-T285 HydrophobicContact CG2-CG2 3.76Å; I250-Y287 HydrophobicContact CG2-CD2 4.18Å
251	I	98.3	Very high	96.2	Very high	42 Å²	42	63.6 Å²	63.6	22%	0.215	34%	0.336	C	S	.	.			trans	-107.5	170	179.6	68.7	170.6	0	0	0	110.2	S253 S254 Y255 Q314	I251-S253 PolarHBondContact O-N 3.06Å; I251-S254 PolarHBondContact O-N 2.91Å; I251-S254 VanDerWaalsContact O-N 3.16Å; I251-Y255 WeakPolarHBondContact O-CB 3.42Å; I251-Y255 PolarHBondContact O-N 3.07Å; I251-Q314 HydrophobicContact CB-CB 4.23Å; I251-Q314 HydrophobicContact CB-CG 4.24Å; I251-Q314 HydrophobicContact CG2-CB 4.06Å; I251-Q314 HydrophobicContact CG2-CG 3.62Å
252	G	98.3	Very high	96.2	Very high	3 Å²	3	66.1 Å²	66.1	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-53.5	-44.9	-171.9	0	0	0	0	0	114.3	Y255 L256 Y287 Q314	G252-Y255 PolarHBondContact O-N 2.99Å; G252-L256 WeakPolarHBondContact O-CG 3.47Å; G252-L256 PolarHBondContact O-N 3.32Å; G252-Y287 WeakPolarHBondContact CA-OH 3.21Å; G252-Y287 PolarHBondContact N-OH 3.21Å; G252-Q314 WeakPolarHBondContact CA-O 3.21Å; G252-Q314 PolarHBondContact N-O 3.41Å
253	S	97.6	Very high	96.6	Very high	63 Å²	63	67.5 Å²	67.5	44%	0.441	35%	0.347	S	S	.	.	H	α-helix	trans	-59.4	-51.9	177.6	51.1	0	0	0	0	112.3	I251 Y255 L256 E257	I251-S253 PolarHBondContact O-N 3.06Å; S253-Y255 VanDerWaalsContact C-N 3.32Å; S253-Y255 PolarHBondContact O-N 3.37Å; S253-L256 PolarHBondContact O-N 3.29Å; S253-E257 WeakPolarHBondContact O-CG 3.48Å; S253-E257 PolarHBondContact O-N 3.29Å
254	S	98	Very high	96.9	Very high	52 Å²	52	63.1 Å²	63.1	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-34.6	178.4	-55.4	0	0	0	0	112.5	I251 E257 L258	I251-S254 PolarHBondContact O-N 2.91Å; I251-S254 VanDerWaalsContact O-N 3.16Å; S254-E257 PolarHBondContact O-N 3.48Å; S254-L258 VanDerWaalsContact O-CB 3.3Å; S254-L258 WeakPolarHBondContact O-CB 3.42Å; S254-L258 PolarHBondContact O-N 3.32Å
255	Y	98.4	Very high	97	Very high	5 Å²	5	60.7 Å²	60.7	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-45.1	174.3	-177.3	-117.9	0	0	0	111.3	I28 I250 I251 G252 S253 E257 L258 L259 T277 T285 Y287	I28-Y255 HydrophobicContact CD1-CE1 4.42Å; I28-Y255 HydrophobicContact CG2-CE1 4.48Å; I250-Y255 HydrophobicContact CD1-CD2 4.32Å; I251-Y255 WeakPolarHBondContact O-CB 3.42Å; I251-Y255 PolarHBondContact O-N 3.07Å; G252-Y255 PolarHBondContact O-N 2.99Å; S253-Y255 VanDerWaalsContact C-N 3.32Å; S253-Y255 PolarHBondContact O-N 3.37Å; Y255-E257 PolarHBondContact O-N 2.91Å; Y255-L258 WeakPolarHBondContact O-CB 3.37Å; Y255-L258 PolarHBondContact O-N 2.9Å; Y255-L259 HydrophobicContact CD1-CD1 4.2Å; Y255-L259 HydrophobicContact CD1-CG 4.43Å; Y255-L259 HydrophobicContact CE1-CD1 3.71Å; Y255-L259 HydrophobicContact CE1-CD2 4.38Å; Y255-L259 HydrophobicContact CE1-CG 4.14Å; Y255-L259 HydrophobicContact CE2-CD2 3.91Å; Y255-L259 HydrophobicContact CE2-CG 4.27Å; Y255-L259 WeakPolarHBondContact O-CG 3.45Å; Y255-L259 PolarHBondContact O-N 2.93Å; Y255-T277 HydrophobicContact CE2-CG2 4.28Å; Y255-T277 PolarHBondContact OH-OG1 2.9Å; Y255-T285 HydrophobicContact CD2-CG2 3.95Å; Y255-T285 HydrophobicContact CE2-CG2 3.98Å; Y255-Y287 AromaticContact CD1-CD1 3.3Å; Y255-Y287 HydrophobicContact CD1-CD1 3.3Å; Y255-Y287 AromaticContact CD1-CE1 3.74Å; Y255-Y287 HydrophobicContact CD1-CE1 3.74Å; Y255-Y287 AromaticContact CD1-CG 3.76Å; Y255-Y287 HydrophobicContact CD1-CG 3.76Å; Y255-Y287 HydrophobicContact CD2-CD1 4.36Å; Y255-Y287 HydrophobicContact CD2-CG 4.02Å; Y255-Y287 AromaticContact CE1-CD1 3.57Å; Y255-Y287 HydrophobicContact CE1-CD1 3.57Å; Y255-Y287 HydrophobicContact CE1-CE1 4.27Å; Y255-Y287 HydrophobicContact CE1-CG 4.17Å; Y255-Y287 HydrophobicContact CE2-CG 4.42Å; Y255-Y287 AromaticContact CG-CD1 3.74Å; Y255-Y287 HydrophobicContact CG-CD1 3.74Å; Y255-Y287 HydrophobicContact CG-CD2 4.19Å; Y255-Y287 HydrophobicContact CG-CE1 4.32Å; Y255-Y287 AromaticContact CG-CG 3.67Å; Y255-Y287 HydrophobicContact CG-CG 3.67Å
256	L	98.5	Very high	97.1	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-39.8	176.8	-65.8	165.9	0	0	0	112.1	I28 L29 H32 G252 S253 L258 L259 R260 L316	I28-L256 HydrophobicContact CG2-CD2 4.26Å; L29-L256 HydrophobicContact CD2-CB 4.35Å; L29-L256 HydrophobicContact CD2-CD2 3.96Å; H32-L256 HydrophobicContact CB-CD2 4.02Å; H32-L256 WeakPolarHBondContact CD2-CD1 3.36Å; H32-L256 WeakPolarHBondContact NE2-CD1 3.34Å; G252-L256 WeakPolarHBondContact O-CG 3.47Å; G252-L256 PolarHBondContact O-N 3.32Å; S253-L256 PolarHBondContact O-N 3.29Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L256-L259 PolarHBondContact O-N 3.03Å; L256-R260 WeakPolarHBondContact O-CG 3.4Å; L256-R260 PolarHBondContact O-N 3.46Å; L256-L316 HydrophobicContact CD1-CD2 3.75Å; L256-L316 HydrophobicContact CD2-CD2 4.02Å; L256-L316 HydrophobicContact CG-CD2 3.84Å
257	E	98.3	Very high	97.2	Very high	122 Å²	122	60 Å²	60	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-59.8	-44.9	172.7	-73.9	174	-173.1	0	0	111.8	S253 S254 Y255 L259 R260 K261	S253-E257 WeakPolarHBondContact O-CG 3.48Å; S253-E257 PolarHBondContact O-N 3.29Å; S254-E257 PolarHBondContact O-N 3.48Å; Y255-E257 PolarHBondContact O-N 2.91Å; E257-L259 PolarHBondContact O-N 3.37Å; E257-R260 PolarHBondContact O-N 3.2Å; E257-K261 WeakPolarHBondContact O-CB 3.36Å; E257-K261 PolarHBondContact O-N 2.81Å
258	L	97.8	Very high	97.2	Very high	21 Å²	21	62.6 Å²	62.6	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-45.4	176	-175.9	159	0	0	0	111.4	L239 I250 S254 Y255 L256 R260 K261 E262 P264 T277 I279	L239-L258 HydrophobicContact CD1-CD1 4.41Å; I250-L258 HydrophobicContact CD1-CD1 3.65Å; S254-L258 VanDerWaalsContact O-CB 3.3Å; S254-L258 WeakPolarHBondContact O-CB 3.42Å; S254-L258 PolarHBondContact O-N 3.32Å; Y255-L258 WeakPolarHBondContact O-CB 3.37Å; Y255-L258 PolarHBondContact O-N 2.9Å; L256-L258 VanDerWaalsContact C-N 3.34Å; L258-R260 PolarHBondContact O-N 2.81Å; L258-K261 PolarHBondContact O-N 2.92Å; L258-E262 HydrophobicContact CG-CG 4.38Å; L258-E262 WeakPolarHBondContact O-CB 3.35Å; L258-E262 PolarHBondContact O-N 3.21Å; L258-P264 HydrophobicContact CD2-CG 4.36Å; L258-T277 HydrophobicContact CD2-CG2 4.34Å; L258-I279 HydrophobicContact CD1-CD1 3.58Å; L258-I279 HydrophobicContact CD2-CD1 3.76Å; L258-I279 HydrophobicContact CD2-CG1 4.03Å; L258-I279 HydrophobicContact CG-CD1 3.93Å
259	L	97.9	Very high	97.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-41.6	177.2	-67.1	-170.2	0	0	0	112.6	I28 L29 Y255 L256 E257 K261 E263 P264 I266 T277	I28-L259 HydrophobicContact CB-CD1 3.92Å; I28-L259 HydrophobicContact CD1-CD1 4.19Å; I28-L259 HydrophobicContact CG2-CD1 3.66Å; L29-L259 HydrophobicContact CD1-CB 4.23Å; L29-L259 HydrophobicContact CD2-CB 4.1Å; L29-L259 HydrophobicContact CG-CB 4.16Å; Y255-L259 HydrophobicContact CD1-CD1 4.2Å; Y255-L259 HydrophobicContact CD1-CG 4.43Å; Y255-L259 HydrophobicContact CE1-CD1 3.71Å; Y255-L259 HydrophobicContact CE1-CD2 4.38Å; Y255-L259 HydrophobicContact CE1-CG 4.14Å; Y255-L259 HydrophobicContact CE2-CD2 3.91Å; Y255-L259 HydrophobicContact CE2-CG 4.27Å; Y255-L259 WeakPolarHBondContact O-CG 3.45Å; Y255-L259 PolarHBondContact O-N 2.93Å; L256-L259 PolarHBondContact O-N 3.03Å; E257-L259 PolarHBondContact O-N 3.37Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-E263 PolarHBondContact O-N 3.05Å; L259-P264 HydrophobicContact CD2-CG 3.55Å; L259-I266 HydrophobicContact CD2-CD1 4.16Å; L259-T277 HydrophobicContact CD2-CG2 4.02Å
260	R	97.8	Very high	97.2	Very high	134 Å²	134	61.1 Å²	61.1	51%	0.506	31%	0.309	S	S	.	.	H	α-helix	trans	-66	-35.8	178	-70.1	-179	-165	104.5	-0.1	112.4	L29 L256 E257 L258	L29-R260 HydrophobicContact CD1-CG 3.8Å; L29-R260 HydrophobicContact CD2-CG 3.6Å; L29-R260 HydrophobicContact CG-CG 4.37Å; L256-R260 WeakPolarHBondContact O-CG 3.4Å; L256-R260 PolarHBondContact O-N 3.46Å; E257-R260 PolarHBondContact O-N 3.2Å; L258-R260 PolarHBondContact O-N 2.81Å
261	K	97.3	Very high	97.1	Very high	161 Å²	161	69 Å²	69	70%	0.7	34%	0.343	S	S	*	.	H	α-helix	trans	-84.4	-47.1	-173.6	-177.6	-174.3	169.5	-154	0	112.8	E257 L258 L259	E257-K261 WeakPolarHBondContact O-CB 3.36Å; E257-K261 PolarHBondContact O-N 2.81Å; L258-K261 PolarHBondContact O-N 2.92Å; L259-K261 VanDerWaalsContact C-N 3.32Å
262	E	96.3	Very high	97.1	Very high	81 Å²	81	67.2 Å²	67.2	38%	0.379	33%	0.334	S	S	.	.	H	α-helix	trans	-95.4	-14.1	-168	-56.5	-63.1	151.7	0	0	112.7	L258 P264 I279	L258-E262 HydrophobicContact CG-CG 4.38Å; L258-E262 WeakPolarHBondContact O-CB 3.35Å; L258-E262 PolarHBondContact O-N 3.21Å; E262-P264 VanDerWaalsContact C-N 3.35Å; E262-I279 HydrophobicContact CB-CG2 4.07Å; E262-I279 HydrophobicContact CG-CG2 3.83Å
263	E	95.7	Very high	97	Very high	115 Å²	115	67.7 Å²	67.7	54%	0.537	34%	0.338	S	S	.	.			trans	43.6	53.4	-177.1	-60.6	-166	-155.3	0	0	113.5	Y25 L259	Y25-E263 HydrophobicContact CE1-CB 4.09Å; Y25-E263 HydrophobicContact CE2-CB 3.86Å; Y25-E263 HydrophobicContact CE2-CG 3.74Å; Y25-E263 PolarHBondContact OH-OE2 3.12Å; L259-E263 PolarHBondContact O-N 3.05Å
264	P	96.6	Very high	97	Very high	9 Å²	9	64.8 Å²	64.8	6%	0.058	32%	0.317	C	S	.	.			trans	-77.9	166.5	-162.7	32.8	-37.3	0	0	0	113.7	Y25 L258 L259 E262 T277 Y278	Y25-P264 WeakPolarHBondContact CD1-O 3.27Å; L258-P264 HydrophobicContact CD2-CG 4.36Å; L259-P264 HydrophobicContact CD2-CG 3.55Å; E262-P264 VanDerWaalsContact C-N 3.35Å; P264-T277 HydrophobicContact CB-CG2 3.61Å; P264-T277 HydrophobicContact CG-CG2 3.32Å; P264-Y278 WeakPolarHBondContact CB-O 3.37Å
265	T	94.9	Very high	97	Very high	89 Å²	89	62.6 Å²	62.6	55%	0.546	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.3	166.5	-56.1	0	0	0	0	109.8	Q267 Y278	T265-Q267 HydrophobicContact CG2-CG 3.96Å; T265-Y278 PolarHBondContact O-N 3.37Å
266	I	96.8	Very high	97	Very high	26 Å²	26	63 Å²	63	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.8	176.9	-54.4	-179.9	0	0	0	107.9	T23 I28 L259 H275 F276 T277	T23-I266 WeakPolarHBondContact O-CD1 3.28Å; I28-I266 HydrophobicContact CD1-CD1 3.61Å; L259-I266 HydrophobicContact CD2-CD1 4.16Å; I266-H275 HydrophobicContact CG2-CB 3.89Å; I266-F276 WeakPolarHBondContact CA-O 3.33Å; I266-T277 HydrophobicContact CG1-CG2 4.05Å
267	Q	96	Very high	96.9	Very high	100 Å²	100	62.4 Å²	62.4	47%	0.467	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.5	-176.3	-58.5	-175.3	-5.6	0	0	110.7	T265 H275 F276 Y278	T265-Q267 HydrophobicContact CG2-CG 3.96Å; Q267-H275 CarbonylContact O-C 3.57Å; Q267-H275 WeakPolarHBondContact O-CA 3.38Å; Q267-F276 PolarHBondContact N-O 2.91Å; Q267-F276 PolarHBondContact O-N 3.48Å; Q267-Y278 HydrophobicContact CB-CD2 4.47Å; Q267-Y278 HydrophobicContact CB-CE2 4.04Å; Q267-Y278 HydrophobicContact CG-CD2 4.08Å; Q267-Y278 HydrophobicContact CG-CE2 4.02Å
268	W	95.8	Very high	96.8	Very high	90 Å²	90	60.8 Å²	60.8	34%	0.341	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.5	171.8	178.3	-113.2	0	0	0	110.8	A273 H275 E291 A292	W268-A273 VanDerWaalsContact CH2-CA 3.41Å; W268-A273 HydrophobicContact CH2-CB 3.74Å; W268-A273 VanDerWaalsContact CH2-O 3.23Å; W268-A273 WeakPolarHBondContact CH2-O 3.34Å; W268-A273 HydrophobicContact CZ2-CB 3.67Å; W268-A273 WeakPolarHBondContact CZ3-O 3.43Å; W268-H275 AromaticContact CE3-CE1 3.39Å; W268-H275 AromaticContact CE3-CG 3.94Å; W268-H275 AromaticContact CE3-ND1 3.44Å; W268-H275 AromaticContact CE3-NE2 3.89Å; W268-H275 AromaticContact CZ3-CE1 3.95Å; W268-H275 AromaticContact CZ3-ND1 3.8Å; W268-E291 HydrophobicContact CH2-CG 3.8Å; W268-E291 HydrophobicContact CZ2-CG 4.41Å; W268-E291 HydrophobicContact CZ3-CB 4.23Å; W268-E291 HydrophobicContact CZ3-CG 3.92Å; W268-A292 HydrophobicContact CZ3-CB 4.44Å
269	D	97.3	Very high	96.7	Very high	50 Å²	50	61 Å²	61	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	108.4	166.6	-174.3	-71.4	0	0	0	109.3	K271 A272 A273 E274 F276	D269-K271 VanDerWaalsContact C-N 3.26Å; D269-K271 PolarHBondContact O-N 3.44Å; D269-K271 WeakPolarHBondContact OD1-CA 3.37Å; D269-K271 WeakPolarHBondContact OD1-CB 3.4Å; D269-K271 PolarHBondContact OD1-N 3.43Å; D269-A272 HydrophobicContact CB-CB 4.32Å; D269-A272 PolarHBondContact O-N 3.32Å; D269-A272 WeakPolarHBondContact OD1-CB 3.09Å; D269-A272 PolarHBondContact OD1-N 3.48Å; D269-A273 VanDerWaalsContact O-CA 3.27Å; D269-A273 WeakPolarHBondContact O-CA 3.42Å; D269-A273 PolarHBondContact O-N 3.33Å; D269-E274 PolarHBondContact N-O 2.9Å; D269-E274 PolarHBondContact O-N 3.33Å; D269-F276 HydrophobicContact CB-CD2 3.98Å; D269-F276 HydrophobicContact CB-CE2 3.46Å; D269-F276 VanDerWaalsContact CB-CE2 3.46Å; D269-F276 HydrophobicContact CB-CZ 3.76Å
270	S	95.5	Very high	96.3	Very high	98 Å²	98	64.3 Å²	64.3	69%	0.685	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.4	-177.2	59.4	0	0	0	0	114.3
271	K	96.4	Very high	95.8	Very high	174 Å²	174	68 Å²	68	76%	0.757	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-40.1	177.9	-64.5	177.5	-179.3	173.3	0	110.9	P209 D269	P209-K271 WeakPolarHBondContact CD-O 3.31Å; P209-K271 WeakPolarHBondContact CG-O 3.19Å; D269-K271 VanDerWaalsContact C-N 3.26Å; D269-K271 PolarHBondContact O-N 3.44Å; D269-K271 WeakPolarHBondContact OD1-CA 3.37Å; D269-K271 WeakPolarHBondContact OD1-CB 3.4Å; D269-K271 PolarHBondContact OD1-N 3.43Å
272	A	97.6	Very high	95.3	Very high	5 Å²	5	66.1 Å²	66.1	4%	0.041	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-26.1	175.7	0	0	0	0	0	112.2	P204 P207 L208 D269 E274 F276	P204-A272 HydrophobicContact CB-CB 3.85Å; P204-A272 HydrophobicContact CG-CB 4.04Å; P207-A272 CarbonylContact C-O 3.46Å; P207-A272 WeakPolarHBondContact CA-O 3.25Å; P207-A272 HydrophobicContact CB-CB 4.1Å; L208-A272 PolarHBondContact N-O 3.21Å; D269-A272 HydrophobicContact CB-CB 4.32Å; D269-A272 PolarHBondContact O-N 3.32Å; D269-A272 WeakPolarHBondContact OD1-CB 3.09Å; D269-A272 PolarHBondContact OD1-N 3.48Å; A272-E274 HydrophobicContact CB-CB 4.39Å; A272-F276 HydrophobicContact CB-CZ 4.28Å
273	A	97.3	Very high	95.3	Very high	13 Å²	13	63 Å²	63	11%	0.107	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	48.1	-164.6	0	0	0	0	0	112	L208 W268 D269	L208-A273 HydrophobicContact CB-CB 3.79Å; L208-A273 HydrophobicContact CD2-CB 3.94Å; W268-A273 VanDerWaalsContact CH2-CA 3.41Å; W268-A273 HydrophobicContact CH2-CB 3.74Å; W268-A273 VanDerWaalsContact CH2-O 3.23Å; W268-A273 WeakPolarHBondContact CH2-O 3.34Å; W268-A273 HydrophobicContact CZ2-CB 3.67Å; W268-A273 WeakPolarHBondContact CZ3-O 3.43Å; D269-A273 VanDerWaalsContact O-CA 3.27Å; D269-A273 WeakPolarHBondContact O-CA 3.42Å; D269-A273 PolarHBondContact O-N 3.33Å
274	E	97.3	Very high	95.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.8	176.3	-64.2	-163.5	150.2	0	0	111.4	V205 A206 D269 A272 F276 N286 A292 K296	V205-E274 PolarHBondContact N-OE2 3.24Å; A206-E274 PolarHBondContact N-OE1 3.27Å; D269-E274 PolarHBondContact N-O 2.9Å; D269-E274 PolarHBondContact O-N 3.33Å; A272-E274 HydrophobicContact CB-CB 4.39Å; E274-F276 HydrophobicContact CB-CE1 4.22Å; E274-N286 PolarHBondContact OE2-ND2 3.26Å; E274-N286 PolarHBondContact OE2-OD1 3.39Å; E274-A292 HydrophobicContact CG-CB 4.32Å; E274-K296 IonicContact OE1-NZ 2.77Å; E274-K296 PolarHBondContact OE1-NZ 3.14Å
275	H	97.4	Very high	95.4	Very high	6 Å²	6	58 Å²	58	3%	0.028	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.8	173.1	-79.3	97.6	0	0	0	111.1	T23 I266 Q267 W268 N286 S289 E291	T23-H275 PolarHBondContact OG1-NE2 3.2Å; I266-H275 HydrophobicContact CG2-CB 3.89Å; Q267-H275 CarbonylContact O-C 3.57Å; Q267-H275 WeakPolarHBondContact O-CA 3.38Å; W268-H275 AromaticContact CE3-CE1 3.39Å; W268-H275 AromaticContact CE3-CG 3.94Å; W268-H275 AromaticContact CE3-ND1 3.44Å; W268-H275 AromaticContact CE3-NE2 3.89Å; W268-H275 AromaticContact CZ3-CE1 3.95Å; W268-H275 AromaticContact CZ3-ND1 3.8Å; H275-N286 PolarHBondContact O-ND2 3.05Å; H275-N286 VanDerWaalsContact O-ND2 3.11Å; H275-S289 WeakPolarHBondContact ND1-CB 3.38Å; H275-S289 PolarHBondContact ND1-OG 2.83Å; H275-E291 IonicContact CE1-OE2 2.66Å; H275-E291 PolarHBondContact CE1-OE2 3.49Å
276	F	97.5	Very high	95.5	Very high	15 Å²	15	53.8 Å²	53.8	7%	0.066	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.3	171.7	-57.8	-22.6	0	0	0	109.7	P203 P204 I266 Q267 D269 A272 E274 Y278 V284 N286	P203-F276 HydrophobicContact CB-CD1 3.95Å; P203-F276 HydrophobicContact CB-CE1 3.62Å; P203-F276 HydrophobicContact CB-CZ 3.92Å; P203-F276 HydrophobicContact CG-CD1 4.24Å; P203-F276 HydrophobicContact CG-CD2 4.42Å; P203-F276 HydrophobicContact CG-CE1 4.19Å; P203-F276 HydrophobicContact CG-CE2 4.32Å; P203-F276 HydrophobicContact CG-CG 4.39Å; P203-F276 HydrophobicContact CG-CZ 4.23Å; P204-F276 HydrophobicContact CB-CE1 4.19Å; P204-F276 HydrophobicContact CB-CZ 4.14Å; I266-F276 WeakPolarHBondContact CA-O 3.33Å; Q267-F276 PolarHBondContact N-O 2.91Å; Q267-F276 PolarHBondContact O-N 3.48Å; D269-F276 HydrophobicContact CB-CD2 3.98Å; D269-F276 HydrophobicContact CB-CE2 3.46Å; D269-F276 VanDerWaalsContact CB-CE2 3.46Å; D269-F276 HydrophobicContact CB-CZ 3.76Å; A272-F276 HydrophobicContact CB-CZ 4.28Å; E274-F276 HydrophobicContact CB-CE1 4.22Å; F276-Y278 HydrophobicContact CB-CE2 3.9Å; F276-V284 HydrophobicContact CB-CG2 3.88Å; F276-N286 HydrophobicContact CD1-CB 3.95Å; F276-N286 HydrophobicContact CE1-CB 4.26Å
277	T	97.8	Very high	95.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107.3	179.4	-57.8	0	0	0	0	108.7	Y255 L258 L259 P264 I266 V284 T285	Y255-T277 HydrophobicContact CE2-CG2 4.28Å; Y255-T277 PolarHBondContact OH-OG1 2.9Å; L258-T277 HydrophobicContact CD2-CG2 4.34Å; L259-T277 HydrophobicContact CD2-CG2 4.02Å; P264-T277 HydrophobicContact CB-CG2 3.61Å; P264-T277 HydrophobicContact CG-CG2 3.32Å; I266-T277 HydrophobicContact CG1-CG2 4.05Å; T277-V284 CarbonylContact O-C 3.53Å; T277-V284 WeakPolarHBondContact O-CA 3.43Å; T277-T285 PolarHBondContact N-O 2.94Å; T277-T285 PolarHBondContact O-N 3.32Å
278	Y	96.6	Very high	95.7	Very high	88 Å²	88	48 Å²	48	35%	0.345	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.8	-176.8	-67.7	-84.5	0	0	0	111.5	P264 T265 Q267 F276 V284	P264-Y278 WeakPolarHBondContact CB-O 3.37Å; T265-Y278 PolarHBondContact O-N 3.37Å; Q267-Y278 HydrophobicContact CB-CD2 4.47Å; Q267-Y278 HydrophobicContact CB-CE2 4.04Å; Q267-Y278 HydrophobicContact CG-CD2 4.08Å; Q267-Y278 HydrophobicContact CG-CE2 4.02Å; F276-Y278 HydrophobicContact CB-CE2 3.9Å; Y278-V284 HydrophobicContact CD1-CB 4.16Å; Y278-V284 HydrophobicContact CD1-CG2 3.98Å; Y278-V284 HydrophobicContact CE1-CB 4.3Å; Y278-V284 HydrophobicContact CE1-CG2 3.92Å; Y278-V284 HydrophobicContact CG-CG2 4.47Å
279	I	94.6	Very high	95.7	Very high	26 Å²	26	44 Å²	44	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	93.8	-179.4	-52.6	162.6	0	0	0	107.4	L239 L258 E262 K281 A283	L239-I279 HydrophobicContact CD1-CD1 3.59Å; L258-I279 HydrophobicContact CD1-CD1 3.58Å; L258-I279 HydrophobicContact CD2-CD1 3.76Å; L258-I279 HydrophobicContact CD2-CG1 4.03Å; L258-I279 HydrophobicContact CG-CD1 3.93Å; E262-I279 HydrophobicContact CB-CG2 4.07Å; E262-I279 HydrophobicContact CG-CG2 3.83Å; I279-K281 PolarHBondContact O-N 3.45Å; I279-A283 HydrophobicContact CB-CB 4.13Å; I279-A283 HydrophobicContact CD1-CB 4.32Å; I279-A283 PolarHBondContact N-O 3.02Å; I279-A283 PolarHBondContact O-N 3.48Å
280	G	89.4	Confident	95.6	Very high	69 Å²	69	43.9 Å²	43.9	71%	0.711	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	-133.6	-168.5	0	0	0	0	0	111.4
281	K	87	Confident	95.6	Very high	212 Å²	212	40.4 Å²	40.4	92%	0.922	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-9.2	-177.9	-65.4	-175.4	178.6	-179	0	114.6	I279	I279-K281 PolarHBondContact O-N 3.45Å
282	K	88	Confident	95.6	Very high	121 Å²	121	32.1 Å²	32.1	53%	0.526	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-21	-163.5	-67.7	178.9	164.7	-156.7	0	114	T242 D243	T242-K282 PolarHBondContact N-O 2.8Å; T242-K282 PolarHBondContact OG1-O 2.98Å; D243-K282 WeakPolarHBondContact OD2-CD 3.37Å; D243-K282 WeakPolarHBondContact OD2-CE 3.48Å; D243-K282 IonicContact OD2-NZ 2.65Å; D243-K282 PolarHBondContact OD2-NZ 3Å
283	A	95.5	Very high	95.6	Very high	16 Å²	16	32 Å²	32	13%	0.132	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.7	-178.4	0	0	0	0	0	111.1	L239 Y240 I279	L239-A283 HydrophobicContact CD1-CB 4.13Å; Y240-A283 CarbonylContact O-C 3.59Å; Y240-A283 WeakPolarHBondContact O-CA 3.44Å; Y240-A283 WeakPolarHBondContact O-CB 3.46Å; I279-A283 HydrophobicContact CB-CB 4.13Å; I279-A283 HydrophobicContact CD1-CB 4.32Å; I279-A283 PolarHBondContact N-O 3.02Å; I279-A283 PolarHBondContact O-N 3.48Å
284	V	97.3	Very high	95.6	Very high	17 Å²	17	31.4 Å²	31.4	10%	0.103	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135	175.5	60.6	0	0	0	0	108.4	P203 Y240 F276 T277 Y278	P203-V284 HydrophobicContact CG-CG1 4.05Å; P203-V284 HydrophobicContact CG-CG2 4.39Å; Y240-V284 HydrophobicContact CD2-CG1 4.22Å; Y240-V284 WeakPolarHBondContact CD2-O 3.26Å; Y240-V284 HydrophobicContact CG-CG1 4.49Å; Y240-V284 PolarHBondContact N-O 3.22Å; Y240-V284 PolarHBondContact O-N 3.27Å; F276-V284 HydrophobicContact CB-CG2 3.88Å; T277-V284 CarbonylContact O-C 3.53Å; T277-V284 WeakPolarHBondContact O-CA 3.43Å; Y278-V284 HydrophobicContact CD1-CB 4.16Å; Y278-V284 HydrophobicContact CD1-CG2 3.98Å; Y278-V284 HydrophobicContact CE1-CB 4.3Å; Y278-V284 HydrophobicContact CE1-CG2 3.92Å; Y278-V284 HydrophobicContact CG-CG2 4.47Å
285	T	97.4	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.7	171.7	-64.7	0	0	0	0	110	Y238 L239 I250 Y255 T277	Y238-T285 VanDerWaalsContact O-CA 3.31Å; Y238-T285 WeakPolarHBondContact O-CA 3.4Å; L239-T285 WeakPolarHBondContact CD1-OG1 3.49Å; I250-T285 HydrophobicContact CD1-CG2 4.33Å; I250-T285 HydrophobicContact CG2-CG2 3.76Å; Y255-T285 HydrophobicContact CD2-CG2 3.95Å; Y255-T285 HydrophobicContact CE2-CG2 3.98Å; T277-T285 PolarHBondContact N-O 2.94Å; T277-T285 PolarHBondContact O-N 3.32Å
286	N	97.6	Very high	95.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	78.7	168.7	179	-154.1	0	0	0	108.7	P203 P204 V205 G237 Y238 Y240 E274 H275 F276	P203-N286 HydrophobicContact CB-CB 3.75Å; P204-N286 WeakPolarHBondContact CA-OD1 3.47Å; V205-N286 HydrophobicContact CG2-CB 4.2Å; V205-N286 WeakPolarHBondContact CG2-OD1 3.39Å; V205-N286 PolarHBondContact N-OD1 2.93Å; G237-N286 WeakPolarHBondContact CA-O 3.23Å; Y238-N286 PolarHBondContact N-O 3.28Å; Y238-N286 PolarHBondContact O-N 2.9Å; Y240-N286 HydrophobicContact CE2-CB 4.15Å; E274-N286 PolarHBondContact OE2-ND2 3.26Å; E274-N286 PolarHBondContact OE2-OD1 3.39Å; H275-N286 PolarHBondContact O-ND2 3.05Å; H275-N286 VanDerWaalsContact O-ND2 3.11Å; F276-N286 HydrophobicContact CD1-CB 3.95Å; F276-N286 HydrophobicContact CE1-CB 4.26Å
287	Y	98.5	Very high	95.6	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	17%	0.166	C	C	.	.			trans	-94	139.8	170.1	-174.6	-92	0	0	0	108.3	F235 I250 G252 Y255 Q314 G315 L316 F319	F235-Y287 PolarHBondContact O-OH 3.35Å; I250-Y287 HydrophobicContact CG2-CD2 4.18Å; G252-Y287 WeakPolarHBondContact CA-OH 3.21Å; G252-Y287 PolarHBondContact N-OH 3.21Å; Y255-Y287 AromaticContact CD1-CD1 3.3Å; Y255-Y287 HydrophobicContact CD1-CD1 3.3Å; Y255-Y287 AromaticContact CD1-CE1 3.74Å; Y255-Y287 HydrophobicContact CD1-CE1 3.74Å; Y255-Y287 AromaticContact CD1-CG 3.76Å; Y255-Y287 HydrophobicContact CD1-CG 3.76Å; Y255-Y287 HydrophobicContact CD2-CD1 4.36Å; Y255-Y287 HydrophobicContact CD2-CG 4.02Å; Y255-Y287 AromaticContact CE1-CD1 3.57Å; Y255-Y287 HydrophobicContact CE1-CD1 3.57Å; Y255-Y287 HydrophobicContact CE1-CE1 4.27Å; Y255-Y287 HydrophobicContact CE1-CG 4.17Å; Y255-Y287 HydrophobicContact CE2-CG 4.42Å; Y255-Y287 AromaticContact CG-CD1 3.74Å; Y255-Y287 HydrophobicContact CG-CD1 3.74Å; Y255-Y287 HydrophobicContact CG-CD2 4.19Å; Y255-Y287 HydrophobicContact CG-CE1 4.32Å; Y255-Y287 AromaticContact CG-CG 3.67Å; Y255-Y287 HydrophobicContact CG-CG 3.67Å; Y287-Q314 PolarHBondContact OH-O 2.91Å; Y287-G315 WeakPolarHBondContact OH-CA 3.48Å; Y287-L316 HydrophobicContact CE1-CD1 3.96Å; Y287-L316 HydrophobicContact CE1-CG 3.88Å; Y287-L316 PolarHBondContact OH-N 3.33Å; Y287-F319 HydrophobicContact CE1-CE2 4.09Å; Y287-F319 AromaticContact CE1-CZ 3.91Å; Y287-F319 HydrophobicContact CE1-CZ 3.91Å
288	P	97.7	Very high	95.5	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.026	17%	0.172	C	C	.	.			trans	-57.2	150.1	-178.3	20.9	-32.5	0	0	0	112.1	Y236 I293 F319	Y236-P288 WeakPolarHBondContact O-CD 3.41Å; P288-I293 HydrophobicContact CB-CD1 3.61Å; P288-I293 HydrophobicContact CB-CG1 3.83Å; P288-I293 HydrophobicContact CG-CD1 4.42Å; P288-F319 HydrophobicContact CB-CE2 4.27Å; P288-F319 HydrophobicContact CB-CZ 4.16Å; P288-F319 HydrophobicContact CG-CE2 3.92Å; P288-F319 HydrophobicContact CG-CZ 4.15Å; P288-F319 VanDerWaalsContact O-CZ 3.25Å; P288-F319 WeakPolarHBondContact O-CZ 3.42Å
289	S	96.5	Very high	95.5	Very high	7 Å²	7	28.6 Å²	28.6	5%	0.049	16%	0.156	C	C	.	.			trans	-118.2	166.1	172.9	56.9	0	0	0	0	109.1	H275 E291 A292 I293	H275-S289 WeakPolarHBondContact ND1-CB 3.38Å; H275-S289 PolarHBondContact ND1-OG 2.83Å; S289-E291 PolarHBondContact O-N 3Å; S289-A292 PolarHBondContact O-N 2.69Å; S289-A292 WeakPolarHBondContact OG-CB 3.49Å; S289-A292 PolarHBondContact OG-N 3.24Å; S289-I293 WeakPolarHBondContact O-CG1 3.44Å; S289-I293 PolarHBondContact O-N 2.65Å
290	L	95.3	Very high	95.6	Very high	47 Å²	47	27.3 Å²	27.3	25%	0.246	15%	0.15	C	C	.	.	H	α-helix	trans	-53.8	-43.1	173.7	-81.4	172	0	0	0	112.1	G294 Y318 F319 L322	L290-G294 PolarHBondContact O-N 3.46Å; L290-Y318 HydrophobicContact CD1-CD1 4.42Å; L290-Y318 HydrophobicContact CD1-CD2 3.47Å; L290-Y318 VanDerWaalsContact CD1-CD2 3.47Å; L290-Y318 HydrophobicContact CD1-CE1 4.45Å; L290-Y318 HydrophobicContact CD1-CE2 3.55Å; L290-Y318 HydrophobicContact CD1-CG 3.92Å; L290-Y318 HydrophobicContact CD2-CD1 4.13Å; L290-Y318 HydrophobicContact CD2-CE1 4.4Å; L290-Y318 HydrophobicContact CD2-CG 4.14Å; L290-Y318 WeakPolarHBondContact CD2-O 3.27Å; L290-Y318 HydrophobicContact CG-CD1 4.13Å; L290-Y318 HydrophobicContact CG-CD2 4.04Å; L290-Y318 HydrophobicContact CG-CE1 3.99Å; L290-Y318 HydrophobicContact CG-CE2 3.95Å; L290-Y318 HydrophobicContact CG-CG 4.11Å; L290-F319 HydrophobicContact CD2-CD1 3.89Å; L290-F319 HydrophobicContact CG-CD1 4.24Å; L290-F319 HydrophobicContact CG-CE1 4.47Å; L290-L322 HydrophobicContact CD2-CD1 3.85Å; L290-L322 HydrophobicContact CD2-CG 4.12Å; L290-L322 WeakPolarHBondContact O-CD1 3.44Å
291	E	95.2	Very high	95.9	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-42	179	-171.1	174.1	179.7	0	0	112.3	W268 H275 S289 G294 S295	W268-E291 HydrophobicContact CH2-CG 3.8Å; W268-E291 HydrophobicContact CZ2-CG 4.41Å; W268-E291 HydrophobicContact CZ3-CB 4.23Å; W268-E291 HydrophobicContact CZ3-CG 3.92Å; H275-E291 IonicContact CE1-OE2 2.66Å; H275-E291 PolarHBondContact CE1-OE2 3.49Å; S289-E291 PolarHBondContact O-N 3Å; E291-G294 PolarHBondContact O-N 3.31Å; E291-S295 WeakPolarHBondContact O-CB 3.45Å; E291-S295 PolarHBondContact O-N 2.68Å; E291-S295 PolarHBondContact O-OG 3.25Å
292	A	96.3	Very high	96.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-68.1	-40.7	178.7	0	0	0	0	0	112.5	W268 E274 S289 K296	W268-A292 HydrophobicContact CZ3-CB 4.44Å; E274-A292 HydrophobicContact CG-CB 4.32Å; S289-A292 PolarHBondContact O-N 2.69Å; S289-A292 WeakPolarHBondContact OG-CB 3.49Å; S289-A292 PolarHBondContact OG-N 3.24Å; A292-K296 WeakPolarHBondContact O-CG 3.1Å; A292-K296 PolarHBondContact O-N 2.69Å
293	I	97.4	Very high	96.5	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-68.8	-44.2	174.6	-61.8	-60.7	0	0	0	110.3	V233 F235 P288 S289 S295 K296 V297 F319 L322	V233-I293 HydrophobicContact CG1-CD1 3.54Å; F235-I293 HydrophobicContact CD1-CD1 4.12Å; F235-I293 HydrophobicContact CE1-CD1 3.99Å; F235-I293 HydrophobicContact CE1-CG1 4.38Å; F235-I293 HydrophobicContact CE1-CG2 4.24Å; P288-I293 HydrophobicContact CB-CD1 3.61Å; P288-I293 HydrophobicContact CB-CG1 3.83Å; P288-I293 HydrophobicContact CG-CD1 4.42Å; S289-I293 WeakPolarHBondContact O-CG1 3.44Å; S289-I293 PolarHBondContact O-N 2.65Å; I293-S295 VanDerWaalsContact C-N 3.32Å; I293-S295 PolarHBondContact O-N 3.49Å; I293-K296 WeakPolarHBondContact O-CA 3.24Å; I293-K296 WeakPolarHBondContact O-CB 3.37Å; I293-K296 PolarHBondContact O-N 3.25Å; I293-V297 HydrophobicContact CG2-CG2 4.31Å; I293-V297 WeakPolarHBondContact O-CG2 3.23Å; I293-V297 PolarHBondContact O-N 2.98Å; I293-F319 HydrophobicContact CG1-CD1 4.45Å; I293-F319 HydrophobicContact CG1-CD2 4.48Å; I293-F319 HydrophobicContact CG1-CE1 4.47Å; I293-F319 HydrophobicContact CG1-CG 4.47Å; I293-L322 HydrophobicContact CB-CD1 3.75Å; I293-L322 HydrophobicContact CG2-CD1 3.56Å
294	G	96.2	Very high	96.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-42.1	178.5	0	0	0	0	0	112.2	L290 E291 K296 V297 E298	L290-G294 PolarHBondContact O-N 3.46Å; E291-G294 PolarHBondContact O-N 3.31Å; G294-K296 VanDerWaalsContact C-N 3.27Å; G294-K296 PolarHBondContact O-N 2.79Å; G294-V297 PolarHBondContact O-N 3.24Å; G294-V297 VanDerWaalsContact O-N 3.11Å; G294-E298 WeakPolarHBondContact O-CG 3.14Å; G294-E298 PolarHBondContact O-N 3.19Å
295	S	96.8	Very high	96.3	Very high	17 Å²	17	18.5 Å²	18.5	12%	0.119	10%	0.098	C	C	.	.	H	α-helix	trans	-59.9	-36.1	174.4	-60.4	0	0	0	0	112.8	E291 I293 L299	E291-S295 WeakPolarHBondContact O-CB 3.45Å; E291-S295 PolarHBondContact O-N 2.68Å; E291-S295 PolarHBondContact O-OG 3.25Å; I293-S295 VanDerWaalsContact C-N 3.32Å; I293-S295 PolarHBondContact O-N 3.49Å; S295-L299 WeakPolarHBondContact O-CB 3.4Å; S295-L299 PolarHBondContact O-N 2.82Å
296	K	97.8	Very high	96.3	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.013	10%	0.098	C	C	.	.	H	α-helix	trans	-71.2	-41.3	174.1	-71.5	165.5	-177.1	154.6	0	111.1	A206 L208 M231 V233 N234 E274 A292 I293 G294 L299 A300	A206-K296 WeakPolarHBondContact O-CE 3.42Å; L208-K296 HydrophobicContact CD1-CG 3.87Å; M231-K296 HydrophobicContact CE-CB 3.77Å; M231-K296 HydrophobicContact CE-CG 4.44Å; M231-K296 WeakPolarHBondContact CE-O 3.43Å; V233-K296 HydrophobicContact CG1-CD 4.41Å; V233-K296 HydrophobicContact CG2-CB 4.37Å; N234-K296 PolarHBondContact OD1-NZ 3.07Å; E274-K296 IonicContact OE1-NZ 2.77Å; E274-K296 PolarHBondContact OE1-NZ 3.14Å; A292-K296 WeakPolarHBondContact O-CG 3.1Å; A292-K296 PolarHBondContact O-N 2.69Å; I293-K296 WeakPolarHBondContact O-CA 3.24Å; I293-K296 WeakPolarHBondContact O-CB 3.37Å; I293-K296 PolarHBondContact O-N 3.25Å; G294-K296 VanDerWaalsContact C-N 3.27Å; G294-K296 PolarHBondContact O-N 2.79Å; K296-L299 WeakPolarHBondContact O-CB 3.39Å; K296-L299 PolarHBondContact O-N 3.25Å; K296-A300 PolarHBondContact O-N 3.3Å
297	V	97.9	Very high	96.3	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.024	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-46.2	175.5	172.6	0	0	0	0	110.9	F43 I293 G294 L299 A300 K301 L307 L322 L323	F43-V297 HydrophobicContact CD2-CG1 3.72Å; F43-V297 HydrophobicContact CE2-CG1 4.24Å; I293-V297 HydrophobicContact CG2-CG2 4.31Å; I293-V297 WeakPolarHBondContact O-CG2 3.23Å; I293-V297 PolarHBondContact O-N 2.98Å; G294-V297 PolarHBondContact O-N 3.24Å; G294-V297 VanDerWaalsContact O-N 3.11Å; V297-L299 PolarHBondContact O-N 2.87Å; V297-A300 WeakPolarHBondContact O-CB 3.48Å; V297-A300 PolarHBondContact O-N 2.83Å; V297-A300 VanDerWaalsContact O-N 3.16Å; V297-K301 WeakPolarHBondContact O-CG 3.28Å; V297-K301 PolarHBondContact O-N 3.36Å; V297-L307 HydrophobicContact CG2-CD1 4.04Å; V297-L322 HydrophobicContact CG2-CB 4.34Å; V297-L323 HydrophobicContact CG2-CD2 4.32Å
298	E	96.9	Very high	96.4	Very high	25 Å²	25	18.5 Å²	18.5	12%	0.117	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-40.8	177.1	-68.7	-47	117.6	0	0	112.2	L16 G294 A300 K301 E302	L16-E298 HydrophobicContact CD2-CG 4.24Å; L16-E298 HydrophobicContact CG-CG 4.44Å; G294-E298 WeakPolarHBondContact O-CG 3.14Å; G294-E298 PolarHBondContact O-N 3.19Å; E298-A300 VanDerWaalsContact C-N 3.28Å; E298-A300 PolarHBondContact O-N 3.03Å; E298-K301 PolarHBondContact O-N 3.11Å; E298-K301 WeakPolarHBondContact OE1-CE 3.39Å; E298-K301 IonicContact OE1-NZ 2.72Å; E298-K301 PolarHBondContact OE1-NZ 3.11Å; E298-K301 IonicContact OE2-NZ 3.78Å; E298-E302 WeakPolarHBondContact O-CB 3.33Å; E298-E302 PolarHBondContact O-N 2.84Å
299	L	96.5	Very high	96.4	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-41.7	172.5	175	64.4	0	0	0	111.8	L208 V211 R212 M231 S295 K296 V297 E302 L303	L208-L299 HydrophobicContact CD1-CB 4.24Å; L208-L299 HydrophobicContact CD1-CD2 3.67Å; L208-L299 HydrophobicContact CG-CD2 4.33Å; V211-L299 HydrophobicContact CB-CD2 4.32Å; V211-L299 HydrophobicContact CG1-CD2 3.83Å; R212-L299 HydrophobicContact CB-CD1 3.92Å; R212-L299 HydrophobicContact CB-CD2 3.94Å; R212-L299 HydrophobicContact CG-CD1 3.97Å; R212-L299 VanDerWaalsContact NH2-CD1 3.34Å; M231-L299 HydrophobicContact SD-CD2 4.02Å; M231-L299 HydrophobicContact SD-CG 4.36Å; S295-L299 WeakPolarHBondContact O-CB 3.4Å; S295-L299 PolarHBondContact O-N 2.82Å; K296-L299 WeakPolarHBondContact O-CB 3.39Å; K296-L299 PolarHBondContact O-N 3.25Å; V297-L299 PolarHBondContact O-N 2.87Å; L299-E302 PolarHBondContact O-N 2.77Å; L299-L303 HydrophobicContact CD1-CD1 3.69Å; L299-L303 HydrophobicContact CD1-CG 3.96Å; L299-L303 HydrophobicContact CG-CD1 4.03Å; L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 WeakPolarHBondContact O-CG 3.39Å; L299-L303 PolarHBondContact O-N 3.44Å
300	A	96.6	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.8	-39.6	178.4	0	0	0	0	0	112.3	F43 M231 K296 V297 E298 L303 G304 V305 L307	F43-A300 HydrophobicContact CE2-CB 3.9Å; F43-A300 HydrophobicContact CZ-CB 3.76Å; M231-A300 HydrophobicContact CE-CB 4.07Å; K296-A300 PolarHBondContact O-N 3.3Å; V297-A300 WeakPolarHBondContact O-CB 3.48Å; V297-A300 PolarHBondContact O-N 2.83Å; V297-A300 VanDerWaalsContact O-N 3.16Å; E298-A300 VanDerWaalsContact C-N 3.28Å; E298-A300 PolarHBondContact O-N 3.03Å; A300-L303 PolarHBondContact O-N 3.37Å; A300-G304 PolarHBondContact O-N 2.96Å; A300-V305 HydrophobicContact CB-CG2 3.83Å; A300-V305 PolarHBondContact O-N 3.16Å; A300-L307 HydrophobicContact CB-CD2 3.55Å; A300-L307 HydrophobicContact CB-CG 4.21Å
301	K	95.2	Very high	96.6	Very high	67 Å²	67	18.3 Å²	18.3	29%	0.291	9%	0.092	S	C	.	.	H	α-helix	trans	-60.6	-48.3	172.3	-68.4	177.2	-175.7	165.9	0	110.8	E15 F43 V297 E298 L303 G304	E15-K301 IonicContact OE2-NZ 3.42Å; F43-K301 HydrophobicContact CD2-CG 3.88Å; F43-K301 HydrophobicContact CE2-CG 3.68Å; V297-K301 WeakPolarHBondContact O-CG 3.28Å; V297-K301 PolarHBondContact O-N 3.36Å; E298-K301 PolarHBondContact O-N 3.11Å; E298-K301 WeakPolarHBondContact OE1-CE 3.39Å; E298-K301 IonicContact OE1-NZ 2.72Å; E298-K301 PolarHBondContact OE1-NZ 3.11Å; E298-K301 IonicContact OE2-NZ 3.78Å; K301-L303 VanDerWaalsContact C-N 3.33Å; K301-L303 PolarHBondContact O-N 2.64Å; K301-G304 PolarHBondContact O-N 2.8Å
302	E	94.6	Very high	96.8	Very high	125 Å²	125	17.2 Å²	17.2	58%	0.584	9%	0.087	S	C	*	.	H	α-helix	trans	-58.5	-43.5	179.4	-172.8	-163.8	142.2	0	0	112	R212 E298 L299 G304	R212-E302 IonicContact CZ-OE1 3.33Å; R212-E302 IonicContact CZ-OE2 3.6Å; R212-E302 VanDerWaalsContact NH1-CD 3.28Å; R212-E302 IonicContact NH1-OE1 3.59Å; R212-E302 PolarHBondContact NH1-OE1 3.03Å; R212-E302 IonicContact NH1-OE2 2.69Å; R212-E302 PolarHBondContact NH1-OE2 3.38Å; R212-E302 IonicContact NH2-OE1 3.61Å; R212-E302 IonicContact NH2-OE2 3.24Å; R212-E302 PolarHBondContact NH2-OE2 3.28Å; E298-E302 WeakPolarHBondContact O-CB 3.33Å; E298-E302 PolarHBondContact O-N 2.84Å; L299-E302 PolarHBondContact O-N 2.77Å; E302-G304 VanDerWaalsContact C-N 3.31Å
303	L	93.3	Very high	96.9	Very high	34 Å²	34	17.4 Å²	17.4	18%	0.178	9%	0.09	C	C	.	.	H	α-helix	trans	-83.2	-4.6	-178.6	-64.2	-179.5	0	0	0	113.8	V215 S226 L299 A300 K301 V305	V215-L303 HydrophobicContact CB-CD1 3.86Å; V215-L303 HydrophobicContact CG1-CD1 3.58Å; S226-L303 WeakPolarHBondContact CB-O 3.21Å; S226-L303 PolarHBondContact OG-O 3.32Å; L299-L303 HydrophobicContact CD1-CD1 3.69Å; L299-L303 HydrophobicContact CD1-CG 3.96Å; L299-L303 HydrophobicContact CG-CD1 4.03Å; L299-L303 WeakPolarHBondContact O-CB 3.39Å; L299-L303 WeakPolarHBondContact O-CG 3.39Å; L299-L303 PolarHBondContact O-N 3.44Å; A300-L303 PolarHBondContact O-N 3.37Å; K301-L303 VanDerWaalsContact C-N 3.33Å; K301-L303 PolarHBondContact O-N 2.64Å; L303-V305 VanDerWaalsContact C-N 3.28Å; L303-V305 HydrophobicContact CB-CG1 4.08Å; L303-V305 HydrophobicContact CB-CG2 4.23Å; L303-V305 PolarHBondContact O-N 2.77Å
304	G	93.6	Very high	96.9	Very high	24 Å²	24	18.2 Å²	18.2	25%	0.247	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	36.2	-177.5	0	0	0	0	0	113.1	S226 A300 K301 E302	S226-G304 CarbonylContact C-O 3.45Å; S226-G304 PolarHBondContact OG-O 2.81Å; S226-G304 VanDerWaalsContact OG-O 3.1Å; A300-G304 PolarHBondContact O-N 2.96Å; K301-G304 PolarHBondContact O-N 2.8Å; E302-G304 VanDerWaalsContact C-N 3.31Å
305	V	95.4	Very high	97	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.			trans	-110.6	161.5	178.7	-57.6	0	0	0	0	110.4	F43 N45 V215 V229 M231 A300 L303	F43-V305 WeakPolarHBondContact CZ-O 3.38Å; N45-V305 WeakPolarHBondContact CB-O 3.1Å; N45-V305 PolarHBondContact ND2-O 2.81Å; V215-V305 HydrophobicContact CG1-CB 4.42Å; V215-V305 HydrophobicContact CG1-CG1 3.81Å; V215-V305 HydrophobicContact CG1-CG2 4Å; V229-V305 HydrophobicContact CB-CB 4.24Å; V229-V305 HydrophobicContact CB-CG1 3.89Å; V229-V305 HydrophobicContact CG1-CB 4.48Å; V229-V305 HydrophobicContact CG1-CG1 4.23Å; V229-V305 WeakPolarHBondContact O-CB 3.16Å; M231-V305 HydrophobicContact CB-CG2 4.17Å; A300-V305 HydrophobicContact CB-CG2 3.83Å; A300-V305 PolarHBondContact O-N 3.16Å; L303-V305 VanDerWaalsContact C-N 3.28Å; L303-V305 HydrophobicContact CB-CG1 4.08Å; L303-V305 HydrophobicContact CB-CG2 4.23Å; L303-V305 PolarHBondContact O-N 2.77Å
306	G	97	Very high	97.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-174.8	170.1	0	0	0	0	0	113.1	P46 V229 M231	P46-G306 CarbonylContact O-C 3.17Å; P46-G306 WeakPolarHBondContact O-CA 3.49Å; V229-G306 PolarHBondContact O-N 2.98Å; M231-G306 PolarHBondContact N-O 2.81Å
307	L	98.5	Very high	97.1	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.9	179	-64.7	174.4	0	0	0	111.4	F43 P46 T47 L48 M231 V233 V297 A300 L323	F43-L307 HydrophobicContact CD1-CD1 3.9Å; F43-L307 HydrophobicContact CD1-CG 4.23Å; F43-L307 HydrophobicContact CD2-CD1 4.22Å; F43-L307 HydrophobicContact CE1-CB 4.26Å; F43-L307 HydrophobicContact CE1-CD1 3.75Å; F43-L307 HydrophobicContact CE1-CG 3.6Å; F43-L307 HydrophobicContact CE2-CD1 4.11Å; F43-L307 HydrophobicContact CE2-CG 4.32Å; F43-L307 HydrophobicContact CG-CD1 4.1Å; F43-L307 HydrophobicContact CZ-CD1 3.87Å; F43-L307 HydrophobicContact CZ-CD2 4.44Å; F43-L307 HydrophobicContact CZ-CG 3.66Å; P46-L307 PolarHBondContact O-N 3.1Å; T47-L307 WeakPolarHBondContact CA-O 3.49Å; T47-L307 HydrophobicContact CG2-CB 4.23Å; L48-L307 PolarHBondContact N-O 3.46Å; M231-L307 HydrophobicContact CB-CD2 4.38Å; M231-L307 HydrophobicContact CE-CD2 3.81Å; M231-L307 CarbonylContact O-C 3.6Å; M231-L307 WeakPolarHBondContact O-CA 3.22Å; V233-L307 HydrophobicContact CG2-CD2 3.83Å; V297-L307 HydrophobicContact CG2-CD1 4.04Å; A300-L307 HydrophobicContact CB-CD2 3.55Å; A300-L307 HydrophobicContact CB-CG 4.21Å; L307-L323 HydrophobicContact CD1-CD2 4.01Å
308	A	98.7	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	114.8	167.8	0	0	0	0	0	109.6	L48 F50 I187 L230 M231 G232 V233	L48-A308 HydrophobicContact CB-CB 4.46Å; L48-A308 HydrophobicContact CD2-CB 4.3Å; L48-A308 CarbonylContact O-C 3.53Å; L48-A308 VanDerWaalsContact O-CA 3.31Å; L48-A308 WeakPolarHBondContact O-CA 3.36Å; F50-A308 HydrophobicContact CE2-CB 4.45Å; I187-A308 HydrophobicContact CG1-CB 4.37Å; I187-A308 HydrophobicContact CG2-CB 3.57Å; L230-A308 HydrophobicContact CB-CB 3.98Å; M231-A308 PolarHBondContact O-N 2.87Å; G232-A308 CarbonylContact C-O 3.57Å; G232-A308 VanDerWaalsContact CA-O 3.3Å; G232-A308 WeakPolarHBondContact CA-O 3.2Å; V233-A308 PolarHBondContact N-O 3.28Å
309	I	98.8	Very high	97	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122	-171.4	-60.6	165.3	0	0	0	110.5	T47 L48 F50 F69 V233 F235 I312 L323	T47-I309 HydrophobicContact CG2-CD1 3.9Å; L48-I309 PolarHBondContact O-N 2.96Å; F50-I309 WeakPolarHBondContact CD2-O 3.46Å; F50-I309 PolarHBondContact N-O 2.89Å; F50-I309 VanDerWaalsContact N-O 3.07Å; F69-I309 HydrophobicContact CE1-CD1 4.11Å; V233-I309 HydrophobicContact CB-CG1 4.38Å; V233-I309 WeakPolarHBondContact O-CA 3.39Å; F235-I309 HydrophobicContact CB-CG2 4.23Å; F235-I309 HydrophobicContact CD1-CG2 3.65Å; F235-I309 HydrophobicContact CD2-CG2 3.73Å; F235-I309 HydrophobicContact CE1-CG2 3.86Å; F235-I309 HydrophobicContact CE2-CG2 3.95Å; F235-I309 HydrophobicContact CG-CG2 3.59Å; F235-I309 HydrophobicContact CZ-CD1 4.28Å; F235-I309 HydrophobicContact CZ-CG2 4.01Å; I309-I312 HydrophobicContact CB-CG2 4.25Å; I309-I312 HydrophobicContact CG2-CG2 3.91Å; I309-L323 HydrophobicContact CD1-CD1 3.41Å; I309-L323 VanDerWaalsContact CD1-CD1 3.41Å; I309-L323 HydrophobicContact CD1-CD2 4.13Å; I309-L323 HydrophobicContact CD1-CG 4.43Å
310	W	98.7	Very high	97.1	Very high	53 Å²	53	18.2 Å²	18.2	20%	0.201	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.9	174	-172.4	-80.1	0	0	0	111.7	F50 T52 V75 Y191 V233 N234 F235 Y236	F50-W310 HydrophobicContact CB-CE3 3.81Å; F50-W310 HydrophobicContact CB-CZ3 4.1Å; F50-W310 HydrophobicContact CD1-CE3 4Å; F50-W310 AromaticContact CD1-CZ3 3.79Å; F50-W310 HydrophobicContact CD1-CZ3 3.79Å; F50-W310 HydrophobicContact CD2-CB 4.47Å; F50-W310 AromaticContact CD2-CE3 3.52Å; F50-W310 HydrophobicContact CD2-CE3 3.52Å; F50-W310 HydrophobicContact CD2-CZ3 4.17Å; F50-W310 HydrophobicContact CE1-CE3 4.46Å; F50-W310 HydrophobicContact CE1-CZ3 4.21Å; F50-W310 HydrophobicContact CE2-CE3 4.02Å; F50-W310 AromaticContact CG-CE3 3.49Å; F50-W310 HydrophobicContact CG-CE3 3.49Å; F50-W310 VanDerWaalsContact CG-CE3 3.49Å; F50-W310 AromaticContact CG-CZ3 3.75Å; F50-W310 HydrophobicContact CG-CZ3 3.75Å; F50-W310 HydrophobicContact CZ-CE3 4.46Å; T52-W310 HydrophobicContact CG2-CZ2 4.49Å; V75-W310 HydrophobicContact CG1-CH2 4.31Å; V75-W310 HydrophobicContact CG2-CH2 4.13Å; V75-W310 HydrophobicContact CG2-CZ3 4.09Å; Y191-W310 HydrophobicContact CE1-CB 4.17Å; Y191-W310 HydrophobicContact CE2-CB 4.42Å; Y191-W310 VanDerWaalsContact OH-CB 3.3Å; Y191-W310 WeakPolarHBondContact OH-CB 3.42Å; V233-W310 PolarHBondContact O-N 3.48Å; N234-W310 CarbonylContact C-O 3.56Å; N234-W310 WeakPolarHBondContact CA-O 3.18Å; F235-W310 PolarHBondContact N-O 3.19Å; Y236-W310 AromaticContact CD1-CD1 3.88Å; Y236-W310 AromaticContact CE1-CD1 3.56Å
311	E	98	Very high	97	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.			cis	-123.3	160.4	-26.2	72.2	75.1	-148.8	0	0	109.8	F50 T52 N55 F235 G313 Q314	F50-E311 HydrophobicContact CB-CB 3.92Å; T52-E311 HydrophobicContact CG2-CB 4.47Å; T52-E311 HydrophobicContact CG2-CG 3.89Å; N55-E311 WeakPolarHBondContact CB-OE1 3.41Å; N55-E311 PolarHBondContact ND2-OE1 3.02Å; F235-E311 WeakPolarHBondContact CB-O 3.45Å; E311-G313 PolarHBondContact O-N 3.2Å; E311-G313 VanDerWaalsContact O-N 3.14Å; E311-G313 WeakPolarHBondContact OE1-CA 3.33Å; E311-G313 PolarHBondContact OE1-N 3.07Å; E311-G313 PolarHBondContact OE2-N 3.47Å; E311-Q314 HydrophobicContact CG-CG 4.07Å; E311-Q314 WeakPolarHBondContact O-CB 3.27Å; E311-Q314 PolarHBondContact O-N 2.92Å; E311-Q314 VanDerWaalsContact OE1-CG 3.31Å; E311-Q314 WeakPolarHBondContact OE1-CG 3.46Å; E311-Q314 PolarHBondContact OE1-N 2.98Å
312	I	98.5	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10	-164.2	70.3	-174.5	0	0	0	114	A49 F50 V51 V61 A62 F69 I72 I309 Y320	A49-I312 HydrophobicContact CB-CD1 3.88Å; A49-I312 HydrophobicContact CB-CG2 3.4Å; A49-I312 VanDerWaalsContact CB-CG2 3.4Å; F50-I312 WeakPolarHBondContact O-CG1 3.25Å; F50-I312 PolarHBondContact O-N 3.02Å; V51-I312 HydrophobicContact CG2-CD1 3.48Å; V51-I312 VanDerWaalsContact CG2-CD1 3.48Å; V51-I312 HydrophobicContact CG2-CG1 3.92Å; V61-I312 HydrophobicContact CB-CD1 4.42Å; V61-I312 HydrophobicContact CB-CG1 4.25Å; V61-I312 HydrophobicContact CG1-CB 3.75Å; V61-I312 HydrophobicContact CG1-CD1 3.77Å; V61-I312 HydrophobicContact CG1-CG1 3.75Å; A62-I312 HydrophobicContact CB-CD1 4.11Å; F69-I312 HydrophobicContact CE1-CG2 4.26Å; F69-I312 HydrophobicContact CE2-CD1 4.27Å; F69-I312 HydrophobicContact CZ-CD1 4.46Å; F69-I312 HydrophobicContact CZ-CG2 4.04Å; I72-I312 HydrophobicContact CD1-CD1 4.43Å; I309-I312 HydrophobicContact CB-CG2 4.25Å; I309-I312 HydrophobicContact CG2-CG2 3.91Å; I312-Y320 WeakPolarHBondContact CA-OH 3.27Å; I312-Y320 HydrophobicContact CB-CE1 4.45Å; I312-Y320 PolarHBondContact O-OH 3Å
313	G	98.2	Very high	97.1	Very high	6 Å²	6	12 Å²	12	6%	0.062	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.1	167.3	0	0	0	0	0	114.5	R57 E311	R57-G313 PolarHBondContact NH1-O 2.98Å; E311-G313 PolarHBondContact O-N 3.2Å; E311-G313 VanDerWaalsContact O-N 3.14Å; E311-G313 WeakPolarHBondContact OE1-CA 3.33Å; E311-G313 PolarHBondContact OE1-N 3.07Å; E311-G313 PolarHBondContact OE2-N 3.47Å
314	Q	98.6	Very high	97.3	Very high	17 Å²	17	11 Å²	11	8%	0.079	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-21.3	-169.9	-66.4	170.4	-32.7	0	0	114.9	N55 F235 Y236 I251 G252 Y287 E311	N55-Q314 PolarHBondContact ND2-NE2 2.77Å; F235-Q314 HydrophobicContact CB-CB 4.35Å; F235-Q314 CarbonylContact O-C 3.55Å; Y236-Q314 VanDerWaalsContact CD1-OE1 3.31Å; I251-Q314 HydrophobicContact CB-CB 4.23Å; I251-Q314 HydrophobicContact CB-CG 4.24Å; I251-Q314 HydrophobicContact CG2-CB 4.06Å; I251-Q314 HydrophobicContact CG2-CG 3.62Å; G252-Q314 WeakPolarHBondContact CA-O 3.21Å; G252-Q314 PolarHBondContact N-O 3.41Å; Y287-Q314 PolarHBondContact OH-O 2.91Å; E311-Q314 HydrophobicContact CG-CG 4.07Å; E311-Q314 WeakPolarHBondContact O-CB 3.27Å; E311-Q314 PolarHBondContact O-N 2.92Å; E311-Q314 VanDerWaalsContact OE1-CG 3.31Å; E311-Q314 WeakPolarHBondContact OE1-CG 3.46Å; E311-Q314 PolarHBondContact OE1-N 2.98Å
315	G	98.3	Very high	97.4	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	5%	0.05	C	C	.	.	S	Bend	trans	-77.9	-177.9	-174.5	0	0	0	0	0	114	R57 F235 Y287	R57-G315 VanDerWaalsContact CZ-O 3.26Å; R57-G315 PolarHBondContact NH1-O 2.85Å; R57-G315 PolarHBondContact NH2-O 2.85Å; R57-G315 VanDerWaalsContact NH2-O 3.12Å; F235-G315 WeakPolarHBondContact O-CA 3.49Å; F235-G315 PolarHBondContact O-N 2.76Å; Y287-G315 WeakPolarHBondContact OH-CA 3.48Å
316	L	97.9	Very high	97.6	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	5%	0.053	C	C	.	.			trans	-98.6	149.8	166.6	-62.1	177.5	0	0	0	109.7	I28 H32 L256 Y287 Y318 F319	I28-L316 HydrophobicContact CG2-CD1 3.96Å; H32-L316 HydrophobicContact CB-CB 4.2Å; H32-L316 HydrophobicContact CB-CD1 3.92Å; H32-L316 HydrophobicContact CB-CD2 4.13Å; H32-L316 HydrophobicContact CB-CG 4.29Å; L256-L316 HydrophobicContact CD1-CD2 3.75Å; L256-L316 HydrophobicContact CD2-CD2 4.02Å; L256-L316 HydrophobicContact CG-CD2 3.84Å; Y287-L316 HydrophobicContact CE1-CD1 3.96Å; Y287-L316 HydrophobicContact CE1-CG 3.88Å; Y287-L316 PolarHBondContact OH-N 3.33Å; L316-Y318 VanDerWaalsContact C-N 3.29Å; L316-Y318 HydrophobicContact CB-CD1 3.54Å; L316-Y318 HydrophobicContact CB-CE1 3.35Å; L316-Y318 HydrophobicContact CD1-CD1 4.45Å; L316-Y318 HydrophobicContact CD1-CE1 3.49Å; L316-Y318 VanDerWaalsContact CD1-CE1 3.49Å; L316-Y318 WeakPolarHBondContact CD1-OH 3.42Å; L316-Y318 HydrophobicContact CG-CE1 4.02Å; L316-Y318 PolarHBondContact O-N 3.47Å; L316-F319 HydrophobicContact CB-CD2 4.45Å; L316-F319 HydrophobicContact CB-CE1 4.43Å; L316-F319 HydrophobicContact CB-CE2 4.27Å; L316-F319 HydrophobicContact CB-CZ 4.24Å; L316-F319 HydrophobicContact CD1-CZ 4.33Å; L316-F319 HydrophobicContact CG-CE2 4.49Å; L316-F319 HydrophobicContact CG-CZ 4.31Å; L316-F319 VanDerWaalsContact O-CB 3.32Å; L316-F319 WeakPolarHBondContact O-CB 3.44Å; L316-F319 WeakPolarHBondContact O-CG 3.34Å; L316-F319 PolarHBondContact O-N 2.76Å; L316-F319 VanDerWaalsContact O-N 3.07Å
317	D	97.4	Very high	97.6	Very high	35 Å²	35	11.5 Å²	11.5	19%	0.187	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-61.7	-38	-171.7	-65	-40.6	0	0	0	112.6	H32 V35 R57 F319 Y320	H32-D317 PolarHBondContact O-N 2.83Å; V35-D317 HydrophobicContact CG2-CB 3.71Å; V35-D317 VanDerWaalsContact CG2-O 3.31Å; V35-D317 WeakPolarHBondContact CG2-O 3.4Å; R57-D317 IonicContact CZ-OD1 2.8Å; R57-D317 IonicContact NE-OD1 2.69Å; R57-D317 IonicContact NH2-OD1 3.32Å; R57-D317 PolarHBondContact NH2-OD1 3.32Å; R57-D317 IonicContact NH2-OD2 2.7Å; D317-F319 PolarHBondContact O-N 3.22Å; D317-Y320 WeakPolarHBondContact O-CB 3.49Å; D317-Y320 WeakPolarHBondContact O-CD2 3.06Å; D317-Y320 PolarHBondContact O-N 2.84Å
318	Y	96.2	Very high	97.5	Very high	15 Å²	15	12.1 Å²	12.1	6%	0.059	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-61.1	-15.6	178.8	68.9	-5.3	0	0	0	114.3	N31 H32 L290 L316 Y320 N321	N31-Y318 HydrophobicContact CB-CD2 4.41Å; N31-Y318 VanDerWaalsContact O-CD2 3.31Å; N31-Y318 WeakPolarHBondContact O-CD2 3.04Å; H32-Y318 HydrophobicContact CB-CE2 4.48Å; H32-Y318 PolarHBondContact O-N 2.8Å; L290-Y318 HydrophobicContact CD1-CD1 4.42Å; L290-Y318 HydrophobicContact CD1-CD2 3.47Å; L290-Y318 VanDerWaalsContact CD1-CD2 3.47Å; L290-Y318 HydrophobicContact CD1-CE1 4.45Å; L290-Y318 HydrophobicContact CD1-CE2 3.55Å; L290-Y318 HydrophobicContact CD1-CG 3.92Å; L290-Y318 HydrophobicContact CD2-CD1 4.13Å; L290-Y318 HydrophobicContact CD2-CE1 4.4Å; L290-Y318 HydrophobicContact CD2-CG 4.14Å; L290-Y318 WeakPolarHBondContact CD2-O 3.27Å; L290-Y318 HydrophobicContact CG-CD1 4.13Å; L290-Y318 HydrophobicContact CG-CD2 4.04Å; L290-Y318 HydrophobicContact CG-CE1 3.99Å; L290-Y318 HydrophobicContact CG-CE2 3.95Å; L290-Y318 HydrophobicContact CG-CG 4.11Å; L316-Y318 VanDerWaalsContact C-N 3.29Å; L316-Y318 HydrophobicContact CB-CD1 3.54Å; L316-Y318 HydrophobicContact CB-CE1 3.35Å; L316-Y318 HydrophobicContact CD1-CD1 4.45Å; L316-Y318 HydrophobicContact CD1-CE1 3.49Å; L316-Y318 VanDerWaalsContact CD1-CE1 3.49Å; L316-Y318 WeakPolarHBondContact CD1-OH 3.42Å; L316-Y318 HydrophobicContact CG-CE1 4.02Å; L316-Y318 PolarHBondContact O-N 3.47Å; Y318-Y320 PolarHBondContact O-N 2.86Å; Y318-N321 VanDerWaalsContact O-CB 3.26Å; Y318-N321 WeakPolarHBondContact O-CB 3.37Å; Y318-N321 PolarHBondContact O-N 3.46Å; Y318-N321 VanDerWaalsContact O-N 3.1Å; Y318-N321 PolarHBondContact O-ND2 2.66Å; Y318-N321 VanDerWaalsContact O-ND2 3.16Å
319	F	97.4	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-64.1	-29.9	174	-67.3	-16.1	0	0	0	111.2	F235 Y287 P288 L290 I293 L316 D317 N321 L322	F235-F319 HydrophobicContact CD1-CD2 4.21Å; F235-F319 HydrophobicContact CD2-CD2 4.21Å; F235-F319 HydrophobicContact CE1-CB 4.35Å; F235-F319 HydrophobicContact CE1-CD2 4.09Å; F235-F319 HydrophobicContact CE2-CB 3.99Å; F235-F319 HydrophobicContact CE2-CD2 4.07Å; F235-F319 HydrophobicContact CG-CD2 4.27Å; F235-F319 HydrophobicContact CZ-CB 3.68Å; F235-F319 HydrophobicContact CZ-CD2 4.02Å; F235-F319 HydrophobicContact CZ-CG 4.3Å; Y287-F319 HydrophobicContact CE1-CE2 4.09Å; Y287-F319 AromaticContact CE1-CZ 3.91Å; Y287-F319 HydrophobicContact CE1-CZ 3.91Å; P288-F319 HydrophobicContact CB-CE2 4.27Å; P288-F319 HydrophobicContact CB-CZ 4.16Å; P288-F319 HydrophobicContact CG-CE2 3.92Å; P288-F319 HydrophobicContact CG-CZ 4.15Å; P288-F319 VanDerWaalsContact O-CZ 3.25Å; P288-F319 WeakPolarHBondContact O-CZ 3.42Å; L290-F319 HydrophobicContact CD2-CD1 3.89Å; L290-F319 HydrophobicContact CG-CD1 4.24Å; L290-F319 HydrophobicContact CG-CE1 4.47Å; I293-F319 HydrophobicContact CG1-CD1 4.45Å; I293-F319 HydrophobicContact CG1-CD2 4.48Å; I293-F319 HydrophobicContact CG1-CE1 4.47Å; I293-F319 HydrophobicContact CG1-CG 4.47Å; L316-F319 HydrophobicContact CB-CD2 4.45Å; L316-F319 HydrophobicContact CB-CE1 4.43Å; L316-F319 HydrophobicContact CB-CE2 4.27Å; L316-F319 HydrophobicContact CB-CZ 4.24Å; L316-F319 HydrophobicContact CD1-CZ 4.33Å; L316-F319 HydrophobicContact CG-CE2 4.49Å; L316-F319 HydrophobicContact CG-CZ 4.31Å; L316-F319 VanDerWaalsContact O-CB 3.32Å; L316-F319 WeakPolarHBondContact O-CB 3.44Å; L316-F319 WeakPolarHBondContact O-CG 3.34Å; L316-F319 PolarHBondContact O-N 2.76Å; L316-F319 VanDerWaalsContact O-N 3.07Å; D317-F319 PolarHBondContact O-N 3.22Å; F319-N321 PolarHBondContact O-N 3.41Å; F319-L322 WeakPolarHBondContact O-CB 3.18Å; F319-L322 PolarHBondContact O-N 2.95Å
320	Y	97.2	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-67.8	-13.8	176.9	-57.6	-64.9	0	0	0	112.7	V61 Y65 K68 F69 F235 I312 D317 Y318 L322 L323	V61-Y320 HydrophobicContact CG1-CE1 3.86Å; V61-Y320 HydrophobicContact CG1-CE2 4.02Å; V61-Y320 WeakPolarHBondContact CG1-OH 3.26Å; V61-Y320 HydrophobicContact CG2-CE2 4.14Å; Y65-Y320 HydrophobicContact CD2-CD1 4.04Å; Y65-Y320 AromaticContact CD2-CD2 3.2Å; Y65-Y320 HydrophobicContact CD2-CD2 3.2Å; Y65-Y320 HydrophobicContact CD2-CE1 4.43Å; Y65-Y320 AromaticContact CD2-CE2 3.67Å; Y65-Y320 HydrophobicContact CD2-CE2 3.67Å; Y65-Y320 AromaticContact CD2-CG 3.47Å; Y65-Y320 HydrophobicContact CD2-CG 3.47Å; Y65-Y320 VanDerWaalsContact CD2-CG 3.47Å; Y65-Y320 AromaticContact CE2-CD2 3.24Å; Y65-Y320 HydrophobicContact CE2-CD2 3.24Å; Y65-Y320 AromaticContact CE2-CE2 3.71Å; Y65-Y320 HydrophobicContact CE2-CE2 3.71Å; Y65-Y320 AromaticContact CE2-CG 3.94Å; Y65-Y320 HydrophobicContact CE2-CG 3.94Å; Y65-Y320 HydrophobicContact CG-CD2 4.24Å; Y65-Y320 HydrophobicContact CG-CG 4.11Å; K68-Y320 VanDerWaalsContact CD-O 3.26Å; K68-Y320 WeakPolarHBondContact CD-O 3.45Å; K68-Y320 WeakPolarHBondContact CE-O 3.47Å; K68-Y320 PolarHBondContact NZ-O 2.87Å; F69-Y320 AromaticContact CZ-CD1 3.99Å; F69-Y320 HydrophobicContact CZ-CD1 3.99Å; F69-Y320 AromaticContact CZ-CE1 3.82Å; F69-Y320 HydrophobicContact CZ-CE1 3.82Å; F235-Y320 HydrophobicContact CE2-CD1 4.46Å; F235-Y320 AromaticContact CE2-CE1 3.68Å; F235-Y320 HydrophobicContact CE2-CE1 3.68Å; F235-Y320 AromaticContact CE2-CZ 3.8Å; F235-Y320 HydrophobicContact CZ-CE1 4.49Å; I312-Y320 WeakPolarHBondContact CA-OH 3.27Å; I312-Y320 HydrophobicContact CB-CE1 4.45Å; I312-Y320 PolarHBondContact O-OH 3Å; D317-Y320 WeakPolarHBondContact O-CB 3.49Å; D317-Y320 WeakPolarHBondContact O-CD2 3.06Å; D317-Y320 PolarHBondContact O-N 2.84Å; Y318-Y320 PolarHBondContact O-N 2.86Å; Y320-L322 PolarHBondContact O-N 2.81Å; Y320-L323 HydrophobicContact CD1-CD1 3.99Å; Y320-L323 PolarHBondContact O-N 2.88Å
321	N	95.6	Very high	97.3	Very high	35 Å²	35	10.7 Å²	10.7	19%	0.187	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-68.3	-12.3	170.2	-65.6	-47.2	0	0	0	113.2	K34 V35 K36 L42 Y318 F319	K34-N321 PolarHBondContact O-ND2 2.98Å; V35-N321 WeakPolarHBondContact CA-OD1 3.44Å; V35-N321 WeakPolarHBondContact CG1-OD1 3.33Å; K36-N321 PolarHBondContact N-OD1 3.13Å; L42-N321 VanDerWaalsContact CD1-O 3.29Å; L42-N321 WeakPolarHBondContact CD1-O 3.48Å; Y318-N321 VanDerWaalsContact O-CB 3.26Å; Y318-N321 WeakPolarHBondContact O-CB 3.37Å; Y318-N321 PolarHBondContact O-N 3.46Å; Y318-N321 VanDerWaalsContact O-N 3.1Å; Y318-N321 PolarHBondContact O-ND2 2.66Å; Y318-N321 VanDerWaalsContact O-ND2 3.16Å; F319-N321 PolarHBondContact O-N 3.41Å
322	L	95.5	Very high	97.2	Very high	25 Å²	25	11.6 Å²	11.6	13%	0.131	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-94	-8.3	179.3	-58	171.8	0	0	0	112.9	L19 L290 I293 V297 F319 Y320	L19-L322 HydrophobicContact CD1-CD2 4.19Å; L19-L322 HydrophobicContact CD2-CD2 3.71Å; L290-L322 HydrophobicContact CD2-CD1 3.85Å; L290-L322 HydrophobicContact CD2-CG 4.12Å; L290-L322 WeakPolarHBondContact O-CD1 3.44Å; I293-L322 HydrophobicContact CB-CD1 3.75Å; I293-L322 HydrophobicContact CG2-CD1 3.56Å; V297-L322 HydrophobicContact CG2-CB 4.34Å; F319-L322 WeakPolarHBondContact O-CB 3.18Å; F319-L322 PolarHBondContact O-N 2.95Å; Y320-L322 PolarHBondContact O-N 2.81Å
323	L	95.7	Very high	97.1	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	7%	0.067	C	C	.	.			trans	-107	0	-171.1	-57.1	-177.9	0	0	0	113.4	K41 L42 F43 K68 F69 V297 L307 I309 Y320	K41-L323 WeakPolarHBondContact CG-OXT 3.4Å; L42-L323 VanDerWaalsContact N-C 3.26Å; L42-L323 PolarHBondContact N-O 2.73Å; L42-L323 PolarHBondContact N-OXT 3.47Å; F43-L323 WeakPolarHBondContact CB-OXT 3.1Å; F43-L323 PolarHBondContact N-OXT 3.14Å; K68-L323 HydrophobicContact CB-CB 4.23Å; K68-L323 HydrophobicContact CD-CB 4.32Å; K68-L323 PolarHBondContact NZ-O 3.08Å; F69-L323 HydrophobicContact CE1-CD1 3.81Å; F69-L323 HydrophobicContact CZ-CD1 4.42Å; V297-L323 HydrophobicContact CG2-CD2 4.32Å; L307-L323 HydrophobicContact CD1-CD2 4.01Å; I309-L323 HydrophobicContact CD1-CD1 3.41Å; I309-L323 VanDerWaalsContact CD1-CD1 3.41Å; I309-L323 HydrophobicContact CD1-CD2 4.13Å; I309-L323 HydrophobicContact CD1-CG 4.43Å; Y320-L323 HydrophobicContact CD1-CD1 3.99Å; Y320-L323 PolarHBondContact O-N 2.88Å

Retrieved 323 of 323 residues in 398.8 ms (Link to these results)

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