G4VC69_SCHMA Loading...

Tryptophan--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession G4VC69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 411 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	31.1	Very low	41.2	Very low	245 Å²	245	109.5 Å²	109.5	100%	1.207	60%	0.603	S	S	*	*				0	101.2	0	-78.4	-179.7	-97.9	0	0	106.8	D3	M1-D3 PolarHBondContact O-N 2.75Å
2	T	31.2	Very low	41.3	Very low	134 Å²	134	112.7 Å²	112.7	82%	0.822	61%	0.61	S	S	*	*			trans	-82.2	103.5	-179.9	41.3	0	0	0	0	108.5	S4	T2-S4 PolarHBondContact O-N 3.16Å
3	D	36.9	Very low	42.1	Very low	155 Å²	155	106.4 Å²	106.4	83%	0.829	58%	0.578	S	S	*	*			trans	-67.8	86.2	159.3	-87	-26	0	0	0	107.5	M1 L5	M1-D3 PolarHBondContact O-N 2.75Å; D3-L5 VanDerWaalsContact C-N 3.26Å; D3-L5 PolarHBondContact O-N 2.72Å
4	S	37.9	Very low	42.7	Very low	105 Å²	105	101.3 Å²	101.3	73%	0.734	55%	0.549	S	S	*	.			trans	-66.4	93.8	160.8	56.7	0	0	0	0	106.7	T2 N6	T2-S4 PolarHBondContact O-N 3.16Å; S4-N6 PolarHBondContact O-N 3.01Å; S4-N6 VanDerWaalsContact O-N 3.16Å
5	L	44.6	Very low	43	Very low	92 Å²	92	106.1 Å²	106.1	48%	0.482	57%	0.567	S	S	.	*			trans	-55.6	124.5	171.5	-94.3	101.8	0	0	0	108.8	D3 C7 Q9	D3-L5 VanDerWaalsContact C-N 3.26Å; D3-L5 PolarHBondContact O-N 2.72Å; L5-C7 PolarHBondContact O-N 3.02Å; L5-Q9 HydrophobicContact CD2-CB 4.39Å
6	N	45.3	Very low	43	Very low	88 Å²	88	100.9 Å²	100.9	47%	0.471	55%	0.547	S	S	.	.			trans	-52.6	129	178.3	171.8	0.2	0	0	0	109.4	S4 K8 Q9	S4-N6 PolarHBondContact O-N 3.01Å; S4-N6 VanDerWaalsContact O-N 3.16Å; N6-K8 PolarHBondContact O-N 2.56Å; N6-K8 WeakPolarHBondContact OD1-CB 3.18Å; N6-K8 PolarHBondContact OD1-N 3.06Å; N6-Q9 HydrophobicContact CB-CG 4.43Å; N6-Q9 WeakPolarHBondContact O-CB 3.4Å; N6-Q9 PolarHBondContact O-N 3.33Å
7	C	43.8	Very low	43.3	Very low	63 Å²	63	105.5 Å²	105.5	43%	0.426	57%	0.571	S	S	.	*	H	α-helix	trans	-53.2	-22.4	178.2	-65.3	0	0	0	0	113.6	L5 I10	L5-C7 PolarHBondContact O-N 3.02Å; C7-I10 PolarHBondContact O-N 3.37Å
8	K	39.8	Very low	44.1	Very low	153 Å²	153	103.2 Å²	103.2	67%	0.665	58%	0.576	S	S	*	*	H	α-helix	trans	-64.8	-36.3	172	-70.7	-172.6	171.4	-173.4	0	113.5	N6 I10 A11 E12	N6-K8 PolarHBondContact O-N 2.56Å; N6-K8 WeakPolarHBondContact OD1-CB 3.18Å; N6-K8 PolarHBondContact OD1-N 3.06Å; K8-I10 PolarHBondContact O-N 3.09Å; K8-A11 PolarHBondContact O-N 2.92Å; K8-E12 PolarHBondContact O-N 3.36Å
9	Q	47.1	Very low	45.6	Very low	93 Å²	93	102.1 Å²	102.1	44%	0.435	57%	0.569	S	S	.	*	H	α-helix	trans	-68.9	-23.5	179.8	-69.7	174.6	-43.1	0	0	112.2	L5 N6 V13	L5-Q9 HydrophobicContact CD2-CB 4.39Å; N6-Q9 HydrophobicContact CB-CG 4.43Å; N6-Q9 WeakPolarHBondContact O-CB 3.4Å; N6-Q9 PolarHBondContact O-N 3.33Å; Q9-V13 WeakPolarHBondContact O-CB 3.25Å; Q9-V13 WeakPolarHBondContact O-CG2 3.33Å; Q9-V13 PolarHBondContact O-N 3.45Å
10	I	49.4	Very low	47.6	Very low	22 Å²	22	98.3 Å²	98.3	11%	0.113	55%	0.547	C	S	.	.	H	α-helix	trans	-78.4	-36	179.1	-56.9	179.1	0	0	0	111	C7 K8 V13 A202 I203	C7-I10 PolarHBondContact O-N 3.37Å; K8-I10 PolarHBondContact O-N 3.09Å; I10-V13 WeakPolarHBondContact O-CB 3.19Å; I10-V13 PolarHBondContact O-N 3.26Å; I10-A202 HydrophobicContact CB-CB 4.37Å; I10-A202 HydrophobicContact CG2-CB 4.36Å; I10-A202 VanDerWaalsContact CG2-O 3.29Å; I10-A202 WeakPolarHBondContact CG2-O 3.48Å; I10-I203 HydrophobicContact CD1-CG1 4.22Å; I10-I203 HydrophobicContact CG2-CG1 4.07Å
11	A	45.8	Very low	49.6	Very low	54 Å²	54	96.8 Å²	96.8	45%	0.446	54%	0.538	S	S	.	.	H	α-helix	trans	-69.5	-41.9	177.9	0	0	0	0	0	112.1	K8 V13 L14 E15	K8-A11 PolarHBondContact O-N 2.92Å; A11-V13 PolarHBondContact O-N 3.47Å; A11-L14 PolarHBondContact O-N 3.19Å; A11-E15 PolarHBondContact O-N 2.93Å
12	E	42.4	Very low	52.4	Low	148 Å²	148	85.2 Å²	85.2	69%	0.692	48%	0.48	S	S	*	.	H	α-helix	trans	-64.7	-22.4	175.3	-71.1	174	174.9	0	0	112.8	K8	K8-E12 PolarHBondContact O-N 3.36Å
13	V	51.5	Low	55.2	Low	31 Å²	31	80.2 Å²	80.2	19%	0.188	45%	0.45	C	S	.	.	H	α-helix	trans	-76.9	-20.8	178.7	156.2	0	0	0	0	112.6	Q9 I10 A11 R43 F44	Q9-V13 WeakPolarHBondContact O-CB 3.25Å; Q9-V13 WeakPolarHBondContact O-CG2 3.33Å; Q9-V13 PolarHBondContact O-N 3.45Å; I10-V13 WeakPolarHBondContact O-CB 3.19Å; I10-V13 PolarHBondContact O-N 3.26Å; A11-V13 PolarHBondContact O-N 3.47Å; V13-R43 HydrophobicContact CB-CG 4.29Å; V13-R43 HydrophobicContact CG1-CG 3.72Å; V13-R43 HydrophobicContact CG2-CG 4.31Å; V13-R43 WeakPolarHBondContact O-CD 3.47Å; V13-R43 PolarHBondContact O-NE 3.46Å; V13-F44 HydrophobicContact CG1-CD1 4.31Å; V13-F44 HydrophobicContact CG1-CE1 4.49Å
14	L	51.3	Low	57.6	Low	35 Å²	35	73.5 Å²	73.5	18%	0.183	42%	0.415	C	S	.	.	H	α-helix	trans	-97.7	-25.1	-178.9	-65.3	174.3	0	0	0	113.2	A11 I203	A11-L14 PolarHBondContact O-N 3.19Å; L14-I203 WeakPolarHBondContact CD1-O 3.35Å
15	E	47.3	Very low	60	Low	173 Å²	173	72.9 Å²	72.9	81%	0.808	40%	0.397	S	S	*	.			trans	-119.3	74.6	-179.7	-67.7	-179.1	178.2	0	0	110.8	A11	A11-E15 PolarHBondContact O-N 2.93Å
16	G	42.6	Very low	61.9	Low	24 Å²	24	73.6 Å²	73.6	25%	0.247	40%	0.397	C	S	.	.			trans	-82.1	123.2	170.6	0	0	0	0	0	110.6	G18 D19	G16-G18 PolarHBondContact O-N 2.7Å; G16-D19 PolarHBondContact O-N 3.09Å
17	N	47.3	Very low	63.9	Low	178 Å²	178	69.9 Å²	69.9	95%	0.952	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	94.7	177	-87.3	-31.6	0	0	0	111.4
18	G	58.1	Low	65.9	Low	65 Å²	65	68.5 Å²	68.5	67%	0.67	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	3.8	-178.9	0	0	0	0	0	115.4	G16	G16-G18 PolarHBondContact O-N 2.7Å
19	D	73.3	Confident	68.1	Low	81 Å²	81	61.8 Å²	61.8	43%	0.433	34%	0.341	S	S	.	.	S	Bend	trans	-94.4	164	-178.1	-70.3	-43.7	0	0	0	112.9	G16 I21	G16-D19 PolarHBondContact O-N 3.09Å; D19-I21 PolarHBondContact O-N 3.48Å
20	D	86.1	Confident	69.9	Low	26 Å²	26	64.2 Å²	64.2	14%	0.139	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-60.9	128.4	-179.2	-59.3	-31.1	0	0	0	112.5	T29 V35 D36 R43	D20-T29 WeakPolarHBondContact OD1-CB 3.3Å; D20-T29 PolarHBondContact OD1-OG1 3.17Å; D20-V35 HydrophobicContact CB-CG1 4.27Å; D20-V35 WeakPolarHBondContact OD2-CA 3.42Å; D20-D36 PolarHBondContact OD2-N 3.29Å; D20-R43 VanDerWaalsContact O-CZ 3.26Å; D20-R43 PolarHBondContact O-NH1 2.95Å; D20-R43 PolarHBondContact O-NH2 3.19Å
21	I	88.4	Confident	71.6	Confident	68 Å²	68	65.2 Å²	65.2	35%	0.349	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.6	173.6	-57.8	175.9	0	0	0	107.9	D19 T23 E26 V27 S28	D19-I21 PolarHBondContact O-N 3.48Å; I21-T23 HydrophobicContact CG2-CG2 4.22Å; I21-E26 HydrophobicContact CG2-CG 4.46Å; I21-V27 VanDerWaalsContact O-CA 3.28Å; I21-V27 WeakPolarHBondContact O-CA 3.35Å; I21-S28 WeakPolarHBondContact CB-OG 3.5Å; I21-S28 PolarHBondContact N-O 3.36Å; I21-S28 PolarHBondContact O-N 2.89Å
22	V	89.8	Confident	73.1	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	104.7	175.7	-178.1	0	0	0	0	109.1	V27 V35 L40 F44 I251 D252 F279	V22-V27 HydrophobicContact CG1-CG2 4.36Å; V22-V35 HydrophobicContact CG2-CG1 4.28Å; V22-L40 HydrophobicContact CB-CD1 4.15Å; V22-L40 HydrophobicContact CG1-CD2 4.32Å; V22-L40 HydrophobicContact CG2-CD1 4.05Å; V22-L40 HydrophobicContact CG2-CD2 4.08Å; V22-F44 HydrophobicContact CB-CZ 4.16Å; V22-F44 HydrophobicContact CG1-CE2 4.28Å; V22-F44 HydrophobicContact CG1-CZ 4.03Å; V22-I251 HydrophobicContact CG1-CG2 4.5Å; V22-D252 HydrophobicContact CG1-CB 4.26Å; V22-F279 HydrophobicContact CG1-CE2 4.03Å; V22-F279 HydrophobicContact CG1-CZ 3.7Å; V22-F279 HydrophobicContact CG2-CE2 4.27Å
23	T	90	Very high	74.9	Confident	29 Å²	29	63 Å²	63	18%	0.178	36%	0.363	C	S	.	.			trans	-129.9	166.1	174.5	74	0	0	0	0	109.5	I21 W25 E26 D252	I21-T23 HydrophobicContact CG2-CG2 4.22Å; T23-W25 PolarHBondContact O-N 3.3Å; T23-W25 PolarHBondContact OG1-N 3.03Å; T23-E26 PolarHBondContact N-O 3.31Å; T23-E26 PolarHBondContact O-N 3.3Å; T23-E26 VanDerWaalsContact O-O 3.05Å; T23-E26 PolarHBondContact OG1-N 3.4Å; T23-E26 PolarHBondContact OG1-O 2.98Å; T23-D252 WeakPolarHBondContact O-CB 3.29Å
24	P	88.4	Confident	76.6	Confident	15 Å²	15	61.9 Å²	61.9	10%	0.097	36%	0.357	C	S	.	.	S	Bend	trans	-57	-24.2	176.3	-24.8	33.7	0	0	0	113.9	D252 P255 Y256	P24-D252 WeakPolarHBondContact CA-O 3.4Å; P24-D252 WeakPolarHBondContact CG-O 3.49Å; P24-P255 HydrophobicContact CG-CB 4.39Å; P24-P255 HydrophobicContact CG-CG 4.28Å; P24-Y256 HydrophobicContact CB-CD2 4.49Å; P24-Y256 HydrophobicContact CB-CE2 3.74Å; P24-Y256 HydrophobicContact CG-CD2 4.2Å; P24-Y256 HydrophobicContact CG-CE2 3.76Å
25	W	87.1	Confident	78.4	Confident	92 Å²	92	60.8 Å²	60.8	35%	0.348	35%	0.352	S	S	.	.	S	Bend	trans	-100.6	-29.4	-177.4	-54.1	-73.9	0	0	0	113.7	T23 W140 F204 F206	T23-W25 PolarHBondContact O-N 3.3Å; T23-W25 PolarHBondContact OG1-N 3.03Å; W25-W140 AromaticContact CD1-NE1 3.94Å; W25-W140 AromaticContact CE2-NE1 3.53Å; W25-W140 AromaticContact CZ2-CE2 3.96Å; W25-W140 AromaticContact CZ2-CZ2 3.64Å; W25-W140 HydrophobicContact CZ2-CZ2 3.64Å; W25-W140 AromaticContact CZ2-NE1 3.84Å; W25-W140 AromaticContact NE1-CD1 3.64Å; W25-W140 AromaticContact NE1-CE2 3.67Å; W25-W140 AromaticContact NE1-NE1 3.15Å; W25-W140 VanDerWaalsContact NE1-NE1 3.15Å; W25-F204 HydrophobicContact CH2-CB 3.79Å; W25-F204 AromaticContact CH2-CD1 3.84Å; W25-F204 HydrophobicContact CH2-CD1 3.84Å; W25-F204 HydrophobicContact CH2-CG 4.2Å; W25-F204 HydrophobicContact CZ3-CB 4.22Å; W25-F204 HydrophobicContact CZ3-CD1 4.44Å; W25-F204 WeakPolarHBondContact CZ3-O 3.43Å; W25-F206 AromaticContact CH2-CE1 3.87Å; W25-F206 HydrophobicContact CH2-CE1 3.87Å; W25-F206 HydrophobicContact CH2-CZ 4.04Å; W25-F206 HydrophobicContact CZ2-CE1 4.09Å; W25-F206 HydrophobicContact CZ2-CZ 4.25Å
26	E	85.8	Confident	80.5	Confident	106 Å²	106	55.5 Å²	55.5	50%	0.495	33%	0.33	S	S	.	.			trans	-136.5	137.5	-170.6	-175.6	166.7	-161.7	0	0	112.1	I21 T23	I21-E26 HydrophobicContact CG2-CG 4.46Å; T23-E26 PolarHBondContact N-O 3.31Å; T23-E26 PolarHBondContact O-N 3.3Å; T23-E26 VanDerWaalsContact O-O 3.05Å; T23-E26 PolarHBondContact OG1-N 3.4Å; T23-E26 PolarHBondContact OG1-O 2.98Å
27	V	86.2	Confident	82.9	Confident	11 Å²	11	57 Å²	57	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.4	169.7	176.3	0	0	0	0	108.1	I21 V22 V35 D252 F279 K289	I21-V27 VanDerWaalsContact O-CA 3.28Å; I21-V27 WeakPolarHBondContact O-CA 3.35Å; V22-V27 HydrophobicContact CG1-CG2 4.36Å; V27-V35 HydrophobicContact CG1-CG2 4.01Å; V27-D252 HydrophobicContact CG2-CB 4.41Å; V27-F279 HydrophobicContact CB-CE2 4.34Å; V27-F279 HydrophobicContact CG1-CD2 3.64Å; V27-F279 HydrophobicContact CG1-CE2 3.6Å; V27-F279 HydrophobicContact CG1-CG 4.3Å; V27-F279 HydrophobicContact CG1-CZ 4.26Å; V27-F279 HydrophobicContact CG2-CD1 4.33Å; V27-F279 HydrophobicContact CG2-CD2 4.29Å; V27-F279 HydrophobicContact CG2-CE1 3.82Å; V27-F279 HydrophobicContact CG2-CE2 3.75Å; V27-F279 HydrophobicContact CG2-CZ 3.5Å; V27-K289 HydrophobicContact CB-CB 4.39Å; V27-K289 HydrophobicContact CB-CD 4.01Å; V27-K289 HydrophobicContact CB-CG 4.11Å; V27-K289 HydrophobicContact CG2-CD 3.68Å; V27-K289 HydrophobicContact CG2-CG 4.34Å
28	S	85.8	Confident	85.1	Confident	33 Å²	33	52.8 Å²	52.8	23%	0.231	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.9	177	64.1	0	0	0	0	111.2	I21	I21-S28 WeakPolarHBondContact CB-OG 3.5Å; I21-S28 PolarHBondContact N-O 3.36Å; I21-S28 PolarHBondContact O-N 2.89Å
29	T	86.8	Confident	86.8	Confident	12 Å²	12	55.6 Å²	55.6	7%	0.074	30%	0.299	C	S	.	.			trans	-138.5	146.6	175.3	175.2	0	0	0	0	110.3	D20 S31 V35 Q287	D20-T29 WeakPolarHBondContact OD1-CB 3.3Å; D20-T29 PolarHBondContact OD1-OG1 3.17Å; T29-S31 VanDerWaalsContact C-N 3.28Å; T29-S31 WeakPolarHBondContact OG1-CB 3.37Å; T29-S31 PolarHBondContact OG1-N 3.4Å; T29-V35 HydrophobicContact CG2-CG2 4.26Å; T29-Q287 HydrophobicContact CG2-CB 4.47Å; T29-Q287 PolarHBondContact N-O 3.37Å
30	N	85	Confident	87.7	Confident	145 Å²	145	51.9 Å²	51.9	78%	0.775	28%	0.28	S	S	*	.	S	Bend	trans	-81.9	-9.2	171.6	-66.5	-37.6	0	0	0	112.3
31	S	83.8	Confident	88	Confident	43 Å²	43	51.4 Å²	51.4	30%	0.301	28%	0.277	S	S	.	.			trans	-83.5	131.9	-179.7	-175.9	0	0	0	0	111.8	T29 S33 G34	T29-S31 VanDerWaalsContact C-N 3.28Å; T29-S31 WeakPolarHBondContact OG1-CB 3.37Å; T29-S31 PolarHBondContact OG1-N 3.4Å; S31-S33 PolarHBondContact O-N 2.97Å; S31-S33 PolarHBondContact OG-N 3.48Å; S31-S33 PolarHBondContact OG-OG 3.39Å; S31-G34 WeakPolarHBondContact CB-O 3.43Å; S31-G34 PolarHBondContact O-N 3.27Å
32	S	77.5	Confident	88.3	Confident	81 Å²	81	54 Å²	54	57%	0.566	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.6	172.1	56.6	0	0	0	0	113.1	G34	S32-G34 PolarHBondContact O-N 3.09Å
33	S	80.5	Confident	88.3	Confident	75 Å²	75	56.1 Å²	56.1	52%	0.524	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.6	175.4	60.4	0	0	0	0	113	S31 N286	S31-S33 PolarHBondContact O-N 2.97Å; S31-S33 PolarHBondContact OG-N 3.48Å; S31-S33 PolarHBondContact OG-OG 3.39Å; S33-N286 PolarHBondContact O-ND2 3.01Å
34	G	86.6	Confident	88.4	Confident	6 Å²	6	55 Å²	55	6%	0.062	30%	0.296	C	S	.	.			trans	98	-168.8	-174.2	0	0	0	0	0	112.8	S31 S32 N286	S31-G34 WeakPolarHBondContact CB-O 3.43Å; S31-G34 PolarHBondContact O-N 3.27Å; S32-G34 PolarHBondContact O-N 3.09Å; G34-N286 WeakPolarHBondContact CA-O 3.22Å
35	V	89.5	Confident	88.7	Confident	12 Å²	12	56.7 Å²	56.7	7%	0.073	32%	0.316	C	S	.	.			trans	-63.4	136	-177.2	175.6	0	0	0	0	111.2	D20 V22 V27 T29 Y37 L40 F279	D20-V35 HydrophobicContact CB-CG1 4.27Å; D20-V35 WeakPolarHBondContact OD2-CA 3.42Å; V22-V35 HydrophobicContact CG2-CG1 4.28Å; V27-V35 HydrophobicContact CG1-CG2 4.01Å; T29-V35 HydrophobicContact CG2-CG2 4.26Å; V35-Y37 HydrophobicContact CB-CE1 4.23Å; V35-Y37 HydrophobicContact CB-CE2 4.36Å; V35-Y37 HydrophobicContact CG1-CD1 4.25Å; V35-Y37 HydrophobicContact CG1-CE1 4.15Å; V35-Y37 VanDerWaalsContact O-CD2 3.26Å; V35-Y37 WeakPolarHBondContact O-CD2 3.17Å; V35-Y37 WeakPolarHBondContact O-CE2 3.38Å; V35-Y37 PolarHBondContact O-N 2.9Å; V35-Y37 VanDerWaalsContact O-N 3.12Å; V35-L40 HydrophobicContact CG1-CD2 4Å; V35-F279 HydrophobicContact CG2-CD2 4.28Å; V35-F279 HydrophobicContact CG2-CE2 4.45Å
36	D	92	Very high	89.1	Confident	63 Å²	63	52.9 Å²	52.9	34%	0.337	30%	0.303	S	S	.	.			trans	-78	92.5	171.4	-173.1	-25.1	0	0	0	110	D20 D38 K39 L40	D20-D36 PolarHBondContact OD2-N 3.29Å; D36-D38 VanDerWaalsContact C-N 3.3Å; D36-D38 PolarHBondContact O-N 3.46Å; D36-D38 PolarHBondContact OD1-N 3.41Å; D36-K39 HydrophobicContact CB-CB 4.13Å; D36-K39 HydrophobicContact CB-CD 4.12Å; D36-K39 HydrophobicContact CB-CG 4.3Å; D36-K39 PolarHBondContact O-N 3.23Å; D36-K39 PolarHBondContact OD1-N 3.23Å; D36-K39 VanDerWaalsContact OD2-CD 3.22Å; D36-K39 WeakPolarHBondContact OD2-CD 3.45Å; D36-K39 VanDerWaalsContact OD2-CE 3.27Å; D36-K39 WeakPolarHBondContact OD2-CE 3.38Å; D36-K39 VanDerWaalsContact OD2-CG 3.31Å; D36-K39 WeakPolarHBondContact OD2-CG 3.47Å; D36-L40 WeakPolarHBondContact O-CB 3.27Å; D36-L40 PolarHBondContact O-N 3.46Å
37	Y	93.4	Very high	89.7	Confident	55 Å²	55	50.7 Å²	50.7	22%	0.216	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-26.8	-176.4	-69.4	-69	0	0	0	113.9	V35 L40 I41 F75 V278 F279	V35-Y37 HydrophobicContact CB-CE1 4.23Å; V35-Y37 HydrophobicContact CB-CE2 4.36Å; V35-Y37 HydrophobicContact CG1-CD1 4.25Å; V35-Y37 HydrophobicContact CG1-CE1 4.15Å; V35-Y37 VanDerWaalsContact O-CD2 3.26Å; V35-Y37 WeakPolarHBondContact O-CD2 3.17Å; V35-Y37 WeakPolarHBondContact O-CE2 3.38Å; V35-Y37 PolarHBondContact O-N 2.9Å; V35-Y37 VanDerWaalsContact O-N 3.12Å; Y37-L40 HydrophobicContact CD1-CD2 4.26Å; Y37-L40 PolarHBondContact O-N 3.36Å; Y37-I41 WeakPolarHBondContact O-CG1 3.34Å; Y37-I41 PolarHBondContact O-N 3.46Å; Y37-F75 HydrophobicContact CD1-CD1 4.49Å; Y37-F75 AromaticContact CD1-CE1 3.73Å; Y37-F75 HydrophobicContact CD1-CE1 3.73Å; Y37-F75 AromaticContact CD1-CE2 3.97Å; Y37-F75 HydrophobicContact CD1-CE2 3.97Å; Y37-F75 AromaticContact CD1-CZ 3.42Å; Y37-F75 HydrophobicContact CD1-CZ 3.42Å; Y37-F75 VanDerWaalsContact CD1-CZ 3.42Å; Y37-F75 HydrophobicContact CE1-CE1 4.25Å; Y37-F75 HydrophobicContact CE1-CZ 4.3Å; Y37-F75 HydrophobicContact CG-CE1 4.41Å; Y37-F75 HydrophobicContact CG-CE2 4.14Å; Y37-F75 HydrophobicContact CG-CZ 4.04Å; Y37-V278 HydrophobicContact CD1-CG1 3.98Å; Y37-V278 HydrophobicContact CD2-CB 4.44Å; Y37-V278 HydrophobicContact CD2-CG1 3.72Å; Y37-V278 HydrophobicContact CE1-CB 3.83Å; Y37-V278 HydrophobicContact CE1-CG1 3.81Å; Y37-V278 HydrophobicContact CE2-CB 3.77Å; Y37-V278 HydrophobicContact CE2-CG1 3.55Å; Y37-V278 HydrophobicContact CG-CG1 3.94Å; Y37-V278 VanDerWaalsContact CZ-CB 3.43Å; Y37-V278 WeakPolarHBondContact OH-CB 3.4Å; Y37-F279 HydrophobicContact CE1-CD2 4.18Å; Y37-F279 HydrophobicContact CE1-CE2 4.44Å; Y37-F279 WeakPolarHBondContact OH-CD2 3.36Å; Y37-F279 PolarHBondContact OH-N 2.88Å
38	D	93.4	Very high	90.2	Very high	90 Å²	90	55.3 Å²	55.3	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-73.6	-41.3	176.6	-78.3	-38	0	0	0	110.4	D36 L40 I41 V42 K48	D36-D38 VanDerWaalsContact C-N 3.3Å; D36-D38 PolarHBondContact O-N 3.46Å; D36-D38 PolarHBondContact OD1-N 3.41Å; D38-L40 VanDerWaalsContact C-N 3.3Å; D38-L40 PolarHBondContact O-N 2.82Å; D38-I41 WeakPolarHBondContact O-CB 3.49Å; D38-I41 PolarHBondContact O-N 3.35Å; D38-V42 PolarHBondContact O-N 3.02Å; D38-K48 IonicContact OD1-NZ 3.38Å; D38-K48 PolarHBondContact OD1-NZ 3.22Å; D38-K48 IonicContact OD2-NZ 2.67Å
39	K	92.7	Very high	90.8	Very high	123 Å²	123	53.8 Å²	53.8	54%	0.535	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-39.1	169	-75.4	-177.2	-173.5	179.1	0	112.1	D36 I41 V42 R43	D36-K39 HydrophobicContact CB-CB 4.13Å; D36-K39 HydrophobicContact CB-CD 4.12Å; D36-K39 HydrophobicContact CB-CG 4.3Å; D36-K39 PolarHBondContact O-N 3.23Å; D36-K39 PolarHBondContact OD1-N 3.23Å; D36-K39 VanDerWaalsContact OD2-CD 3.22Å; D36-K39 WeakPolarHBondContact OD2-CD 3.45Å; D36-K39 VanDerWaalsContact OD2-CE 3.27Å; D36-K39 WeakPolarHBondContact OD2-CE 3.38Å; D36-K39 VanDerWaalsContact OD2-CG 3.31Å; D36-K39 WeakPolarHBondContact OD2-CG 3.47Å; K39-I41 VanDerWaalsContact C-N 3.31Å; K39-I41 PolarHBondContact O-N 3.16Å; K39-V42 PolarHBondContact O-N 3.05Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 3.05Å
40	L	92.4	Very high	91.3	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-36.9	179.3	-168.4	59.9	0	0	0	112.1	V22 V35 D36 Y37 D38 R43 F44 I251	V22-L40 HydrophobicContact CB-CD1 4.15Å; V22-L40 HydrophobicContact CG1-CD2 4.32Å; V22-L40 HydrophobicContact CG2-CD1 4.05Å; V22-L40 HydrophobicContact CG2-CD2 4.08Å; V35-L40 HydrophobicContact CG1-CD2 4Å; D36-L40 WeakPolarHBondContact O-CB 3.27Å; D36-L40 PolarHBondContact O-N 3.46Å; Y37-L40 HydrophobicContact CD1-CD2 4.26Å; Y37-L40 PolarHBondContact O-N 3.36Å; D38-L40 VanDerWaalsContact C-N 3.3Å; D38-L40 PolarHBondContact O-N 2.82Å; L40-R43 PolarHBondContact O-N 3.28Å; L40-F44 HydrophobicContact CD1-CD1 3.94Å; L40-F44 HydrophobicContact CD1-CD2 4.28Å; L40-F44 HydrophobicContact CD1-CE1 3.7Å; L40-F44 HydrophobicContact CD1-CE2 4.06Å; L40-F44 HydrophobicContact CD1-CG 4.23Å; L40-F44 HydrophobicContact CD1-CZ 3.77Å; L40-F44 HydrophobicContact CG-CD2 4.48Å; L40-F44 WeakPolarHBondContact O-CB 3.21Å; L40-F44 PolarHBondContact O-N 3.03Å; L40-I251 HydrophobicContact CD2-CB 4.43Å; L40-I251 HydrophobicContact CD2-CD1 3.72Å; L40-I251 HydrophobicContact CD2-CG1 4.1Å; L40-I251 HydrophobicContact CD2-CG2 3.56Å; L40-I251 HydrophobicContact CG-CD1 3.81Å; L40-I251 HydrophobicContact CG-CG1 4.46Å
41	I	93.5	Very high	91.8	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.082	32%	0.319	C	S	.	.	H	α-helix	trans	-56.6	-51	172.3	-75.7	163.4	0	0	0	110.7	Y37 D38 K39 R43 G45 C46 K48 F75	Y37-I41 WeakPolarHBondContact O-CG1 3.34Å; Y37-I41 PolarHBondContact O-N 3.46Å; D38-I41 WeakPolarHBondContact O-CB 3.49Å; D38-I41 PolarHBondContact O-N 3.35Å; K39-I41 VanDerWaalsContact C-N 3.31Å; K39-I41 PolarHBondContact O-N 3.16Å; I41-R43 PolarHBondContact O-N 2.83Å; I41-G45 WeakPolarHBondContact O-CA 3.44Å; I41-G45 PolarHBondContact O-N 2.97Å; I41-C46 VanDerWaalsContact CG2-O 3.25Å; I41-C46 WeakPolarHBondContact CG2-O 3.24Å; I41-C46 PolarHBondContact O-N 2.94Å; I41-K48 HydrophobicContact CD1-CB 4.05Å; I41-K48 HydrophobicContact CD1-CG 4.22Å; I41-F75 HydrophobicContact CD1-CD2 3.75Å; I41-F75 HydrophobicContact CD1-CE2 3.75Å; I41-F75 HydrophobicContact CG1-CD2 4.22Å; I41-F75 HydrophobicContact CG1-CE2 3.71Å
42	V	94	Very high	92.5	Very high	121 Å²	121	60.1 Å²	60.1	73%	0.733	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-47.2	179.9	176.3	0	0	0	0	110.6	D38 K39 F44 G45	D38-V42 PolarHBondContact O-N 3.02Å; K39-V42 PolarHBondContact O-N 3.05Å; V42-F44 PolarHBondContact O-N 3.23Å; V42-G45 PolarHBondContact O-N 3.39Å
43	R	90.2	Very high	93.4	Very high	46 Å²	46	57 Å²	57	17%	0.174	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-43.3	-177.5	-178.1	172.6	86.7	172.7	-6.4	112.8	V13 D20 K39 L40 I41 G45	V13-R43 HydrophobicContact CB-CG 4.29Å; V13-R43 HydrophobicContact CG1-CG 3.72Å; V13-R43 HydrophobicContact CG2-CG 4.31Å; V13-R43 WeakPolarHBondContact O-CD 3.47Å; V13-R43 PolarHBondContact O-NE 3.46Å; D20-R43 VanDerWaalsContact O-CZ 3.26Å; D20-R43 PolarHBondContact O-NH1 2.95Å; D20-R43 PolarHBondContact O-NH2 3.19Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 3.05Å; L40-R43 PolarHBondContact O-N 3.28Å; I41-R43 PolarHBondContact O-N 2.83Å; R43-G45 VanDerWaalsContact C-N 3.34Å
44	F	92.5	Very high	94.2	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-83.5	-15.2	178.8	-74.9	11.6	0	0	0	112	V13 V22 L40 V42 C46 R78 I251 D254	V13-F44 HydrophobicContact CG1-CD1 4.31Å; V13-F44 HydrophobicContact CG1-CE1 4.49Å; V22-F44 HydrophobicContact CB-CZ 4.16Å; V22-F44 HydrophobicContact CG1-CE2 4.28Å; V22-F44 HydrophobicContact CG1-CZ 4.03Å; L40-F44 HydrophobicContact CD1-CD1 3.94Å; L40-F44 HydrophobicContact CD1-CD2 4.28Å; L40-F44 HydrophobicContact CD1-CE1 3.7Å; L40-F44 HydrophobicContact CD1-CE2 4.06Å; L40-F44 HydrophobicContact CD1-CG 4.23Å; L40-F44 HydrophobicContact CD1-CZ 3.77Å; L40-F44 HydrophobicContact CG-CD2 4.48Å; L40-F44 WeakPolarHBondContact O-CB 3.21Å; L40-F44 PolarHBondContact O-N 3.03Å; V42-F44 PolarHBondContact O-N 3.23Å; F44-C46 VanDerWaalsContact C-N 3.34Å; F44-R78 PolarHBondContact O-NH2 2.88Å; F44-I251 HydrophobicContact CD2-CD1 4.12Å; F44-I251 HydrophobicContact CD2-CG1 3.8Å; F44-I251 HydrophobicContact CE2-CG1 3.97Å; F44-D254 HydrophobicContact CD2-CB 3.78Å; F44-D254 HydrophobicContact CE2-CB 4.1Å
45	G	93.8	Very high	94.7	Very high	50 Å²	50	58.7 Å²	58.7	52%	0.515	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	36.3	-178	0	0	0	0	0	112.1	I41 V42 R43 R78	I41-G45 WeakPolarHBondContact O-CA 3.44Å; I41-G45 PolarHBondContact O-N 2.97Å; V42-G45 PolarHBondContact O-N 3.39Å; R43-G45 VanDerWaalsContact C-N 3.34Å; G45-R78 PolarHBondContact O-NH1 3.05Å
46	C	95.4	Very high	95.1	Very high	12 Å²	12	61.9 Å²	61.9	8%	0.081	33%	0.325	C	S	.	.			trans	-93.6	178.4	168.7	61.4	0	0	0	0	110.3	I41 F44 H77 R78 Y276	I41-C46 VanDerWaalsContact CG2-O 3.25Å; I41-C46 WeakPolarHBondContact CG2-O 3.24Å; I41-C46 PolarHBondContact O-N 2.94Å; F44-C46 VanDerWaalsContact C-N 3.34Å; C46-H77 WeakPolarHBondContact CB-O 3.13Å; C46-R78 HydrophobicContact CB-CG 4.12Å; C46-Y276 HydrophobicContact CB-CD2 4.49Å; C46-Y276 HydrophobicContact CB-CE2 4.02Å
47	S	97.8	Very high	95.3	Very high	61 Å²	61	58.9 Å²	58.9	43%	0.427	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.6	-179.6	-61.8	0	0	0	0	110.5	S76 H77	S47-S76 CarbonylContact O-C 3.6Å; S47-S76 WeakPolarHBondContact O-CA 3.25Å; S47-S76 WeakPolarHBondContact O-CB 3.41Å; S47-H77 WeakPolarHBondContact CB-NE2 3.27Å; S47-H77 PolarHBondContact N-O 3.4Å; S47-H77 PolarHBondContact O-CD2 3.05Å; S47-H77 PolarHBondContact O-N 2.99Å
48	K	97.6	Very high	95.5	Very high	108 Å²	108	59.2 Å²	59.2	47%	0.47	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	137.7	171.3	-169.5	164.6	-173.3	153.5	0	109.5	D38 I41 D50 H77	D38-K48 IonicContact OD1-NZ 3.38Å; D38-K48 PolarHBondContact OD1-NZ 3.22Å; D38-K48 IonicContact OD2-NZ 2.67Å; I41-K48 HydrophobicContact CD1-CB 4.05Å; I41-K48 HydrophobicContact CD1-CG 4.22Å; K48-D50 PolarHBondContact O-N 2.74Å; K48-H77 PolarHBondContact O-CD2 2.93Å; K48-H77 PolarHBondContact O-NE2 3.46Å
49	I	97.9	Very high	95.7	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.324	C	S	.	.			trans	-74.4	108.4	164.4	-59.4	176.4	0	0	0	105.3	L53 L54 R72 F74 F75 H77 I275	I49-L53 HydrophobicContact CG2-CD2 4.24Å; I49-L54 HydrophobicContact CG2-CD2 3.68Å; I49-L54 HydrophobicContact CG2-CG 3.96Å; I49-R72 VanDerWaalsContact C-NH1 3.29Å; I49-R72 PolarHBondContact O-NH1 3.27Å; I49-F74 HydrophobicContact CD1-CB 4.35Å; I49-F75 PolarHBondContact N-O 3.5Å; I49-H77 HydrophobicContact CD1-CB 4.35Å; I49-H77 HydrophobicContact CG1-CB 3.93Å; I49-I275 HydrophobicContact CD1-CB 4.47Å; I49-I275 HydrophobicContact CD1-CG2 4.2Å
50	D	96.9	Very high	95.8	Very high	75 Å²	75	57 Å²	57	40%	0.401	31%	0.31	S	S	.	.			trans	-93.7	-176.5	-178.4	59.9	22.7	0	0	0	112.1	K48 D52 L53 L54 R72	K48-D50 PolarHBondContact O-N 2.74Å; D50-D52 PolarHBondContact OD1-N 3.11Å; D50-L53 WeakPolarHBondContact OD1-CB 3.43Å; D50-L53 PolarHBondContact OD1-N 3.34Å; D50-L54 PolarHBondContact O-N 2.65Å; D50-R72 PolarHBondContact O-NH1 2.87Å; D50-R72 PolarHBondContact O-NH2 3.19Å
51	D	97.1	Very high	95.9	Very high	126 Å²	126	57.6 Å²	57.6	67%	0.674	31%	0.314	S	S	*	.	H	α-helix	trans	-70.7	-37.5	178.6	-68.8	-31.8	0	0	0	111.6	L53 L54 Q55 R72	D51-L53 PolarHBondContact O-N 3.07Å; D51-L54 PolarHBondContact O-N 2.94Å; D51-Q55 WeakPolarHBondContact O-CB 3.47Å; D51-Q55 PolarHBondContact O-N 3.11Å; D51-R72 IonicContact OD1-CZ 2.95Å; D51-R72 IonicContact OD1-NH2 3.82Å; D51-R72 PolarHBondContact OD1-NH2 3.03Å
52	D	97.3	Very high	95.9	Very high	131 Å²	131	61.3 Å²	61.3	70%	0.701	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-42.8	179.4	-72.4	-15.9	0	0	0	111.7	D50 Q55 R56	D50-D52 PolarHBondContact OD1-N 3.11Å; D52-Q55 PolarHBondContact O-N 3.46Å; D52-R56 WeakPolarHBondContact O-CB 3.4Å; D52-R56 PolarHBondContact O-N 3.4Å
53	L	97.2	Very high	95.8	Very high	16 Å²	16	61.2 Å²	61.2	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-66.8	-41.2	177.5	-167.1	65.2	0	0	0	111.7	I49 D50 D51 R56 L57 H77 F80 E81 I84	I49-L53 HydrophobicContact CG2-CD2 4.24Å; D50-L53 WeakPolarHBondContact OD1-CB 3.43Å; D50-L53 PolarHBondContact OD1-N 3.34Å; D51-L53 PolarHBondContact O-N 3.07Å; L53-R56 PolarHBondContact O-N 3.01Å; L53-L57 PolarHBondContact O-N 3.49Å; L53-H77 WeakPolarHBondContact CD2-NE2 3.37Å; L53-F80 HydrophobicContact CD2-CB 4.45Å; L53-F80 HydrophobicContact CD2-CD1 3.79Å; L53-F80 HydrophobicContact CG-CD1 4.21Å; L53-E81 HydrophobicContact CD1-CB 3.89Å; L53-I84 HydrophobicContact CD1-CD1 3.51Å; L53-I84 HydrophobicContact CG-CD1 3.93Å
54	L	97.5	Very high	96	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-37.6	173.3	-73.8	-165.5	0	0	0	112.1	I49 D50 D51 L57 T58 L65 L69 R72	I49-L54 HydrophobicContact CG2-CD2 3.68Å; I49-L54 HydrophobicContact CG2-CG 3.96Å; D50-L54 PolarHBondContact O-N 2.65Å; D51-L54 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 3.43Å; L54-T58 WeakPolarHBondContact O-CB 3.23Å; L54-T58 PolarHBondContact O-N 3.09Å; L54-T58 PolarHBondContact O-OG1 2.94Å; L54-L65 HydrophobicContact CB-CD1 4.2Å; L54-L65 HydrophobicContact CD2-CD1 4.17Å; L54-L69 HydrophobicContact CD2-CB 4.14Å; L54-R72 VanDerWaalsContact CD1-NH2 3.35Å
55	Q	97.3	Very high	96.2	Very high	103 Å²	103	64.5 Å²	64.5	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-42.6	176.8	-172.9	59.2	58	0	0	110.5	D51 D52 L57 T58 N59	D51-Q55 WeakPolarHBondContact O-CB 3.47Å; D51-Q55 PolarHBondContact O-N 3.11Å; D52-Q55 PolarHBondContact O-N 3.46Å; Q55-L57 PolarHBondContact O-N 3.43Å; Q55-T58 WeakPolarHBondContact O-CB 3.42Å; Q55-T58 PolarHBondContact O-N 2.96Å; Q55-N59 PolarHBondContact NE2-OD1 3.21Å; Q55-N59 PolarHBondContact O-N 3.22Å; Q55-N59 PolarHBondContact O-ND2 3.1Å; Q55-N59 PolarHBondContact O-OD1 3.24Å
56	R	97.3	Very high	96.4	Very high	79 Å²	79	63.1 Å²	63.1	30%	0.298	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-44.5	174.3	-168.2	-180	170.4	-166.6	-3.1	111.9	D52 L53 N59 I84 E88	D52-R56 WeakPolarHBondContact O-CB 3.4Å; D52-R56 PolarHBondContact O-N 3.4Å; L53-R56 PolarHBondContact O-N 3.01Å; R56-N59 PolarHBondContact O-N 2.88Å; R56-I84 HydrophobicContact CB-CG2 4.49Å; R56-I84 HydrophobicContact CG-CG2 3.71Å; R56-E88 IonicContact CZ-OE1 2.7Å; R56-E88 IonicContact CZ-OE2 3.77Å; R56-E88 IonicContact NE-OE1 2.87Å; R56-E88 PolarHBondContact NE-OE1 3.23Å; R56-E88 IonicContact NE-OE2 2.61Å; R56-E88 IonicContact NH2-OE1 3.2Å; R56-E88 PolarHBondContact NH2-OE1 3.35Å; R56-E88 IonicContact NH2-OE2 3.85Å; R56-E88 PolarHBondContact NH2-OE2 3.39Å
57	L	96.8	Very high	96.4	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-41.8	174.3	-176.6	64.2	0	0	0	111.7	L53 L54 Q55 N59 I60 C61 L65 L69 F80 I84 F124	L53-L57 PolarHBondContact O-N 3.49Å; L54-L57 PolarHBondContact O-N 3.43Å; Q55-L57 PolarHBondContact O-N 3.43Å; L57-N59 VanDerWaalsContact C-N 3.29Å; L57-N59 PolarHBondContact O-N 3.24Å; L57-I60 HydrophobicContact CD1-CD1 4.35Å; L57-I60 HydrophobicContact CD1-CG1 4.34Å; L57-I60 VanDerWaalsContact O-CG1 3.26Å; L57-I60 WeakPolarHBondContact O-CG1 3.41Å; L57-I60 PolarHBondContact O-N 3.12Å; L57-C61 VanDerWaalsContact O-CB 3.24Å; L57-C61 WeakPolarHBondContact O-CB 3.38Å; L57-C61 PolarHBondContact O-N 3.21Å; L57-L65 HydrophobicContact CB-CD2 4.39Å; L57-L65 HydrophobicContact CD2-CD2 3.81Å; L57-L65 HydrophobicContact CG-CD2 3.75Å; L57-L69 HydrophobicContact CD2-CD1 3.91Å; L57-F80 HydrophobicContact CD2-CE1 4.21Å; L57-F80 HydrophobicContact CD2-CZ 3.98Å; L57-I84 HydrophobicContact CB-CD1 4.03Å; L57-I84 HydrophobicContact CD1-CG1 4.21Å; L57-F124 HydrophobicContact CD1-CE2 4.31Å; L57-F124 HydrophobicContact CD1-CZ 3.92Å
58	T	96.9	Very high	96.4	Very high	62 Å²	62	60.2 Å²	60.2	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-58.3	-42.7	177.5	-59.6	0	0	0	0	111.2	L54 Q55 I60 C61 L65	L54-T58 WeakPolarHBondContact O-CB 3.23Å; L54-T58 PolarHBondContact O-N 3.09Å; L54-T58 PolarHBondContact O-OG1 2.94Å; Q55-T58 WeakPolarHBondContact O-CB 3.42Å; Q55-T58 PolarHBondContact O-N 2.96Å; T58-I60 PolarHBondContact O-N 2.91Å; T58-C61 PolarHBondContact O-N 3.24Å; T58-L65 WeakPolarHBondContact OG1-CD1 3.43Å; T58-L65 WeakPolarHBondContact OG1-CG 3.28Å
59	N	96.7	Very high	96.4	Very high	119 Å²	119	55 Å²	55	64%	0.636	29%	0.292	S	S	*	.	H	α-helix	trans	-63.5	-25.4	-178.4	-66.2	-14.3	0	0	0	113.6	Q55 R56 L57	Q55-N59 PolarHBondContact NE2-OD1 3.21Å; Q55-N59 PolarHBondContact O-N 3.22Å; Q55-N59 PolarHBondContact O-ND2 3.1Å; Q55-N59 PolarHBondContact O-OD1 3.24Å; R56-N59 PolarHBondContact O-N 2.88Å; L57-N59 VanDerWaalsContact C-N 3.29Å; L57-N59 PolarHBondContact O-N 3.24Å
60	I	94.9	Very high	96.4	Very high	47 Å²	47	59.2 Å²	59.2	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-106.1	-6.6	-179.3	66.7	173.9	0	0	0	113.3	L57 T58 I84 I87 E88	L57-I60 HydrophobicContact CD1-CD1 4.35Å; L57-I60 HydrophobicContact CD1-CG1 4.34Å; L57-I60 VanDerWaalsContact O-CG1 3.26Å; L57-I60 WeakPolarHBondContact O-CG1 3.41Å; L57-I60 PolarHBondContact O-N 3.12Å; T58-I60 PolarHBondContact O-N 2.91Å; I60-I84 HydrophobicContact CD1-CB 4.46Å; I60-I84 HydrophobicContact CD1-CG2 3.71Å; I60-I87 HydrophobicContact CD1-CB 3.86Å; I60-I87 HydrophobicContact CD1-CD1 4.33Å; I60-I87 HydrophobicContact CD1-CG2 3.71Å; I60-I87 HydrophobicContact CG1-CG2 4.42Å; I60-E88 HydrophobicContact CD1-CG 4.21Å; I60-E88 HydrophobicContact CG2-CG 3.82Å
61	C	94.5	Very high	96.3	Very high	17 Å²	17	57.7 Å²	57.7	12%	0.115	30%	0.299	C	S	.	.			trans	-83.9	124.9	-175.7	-166.6	0	0	0	0	110.4	L57 T58 K63 L65 V123 F124	L57-C61 VanDerWaalsContact O-CB 3.24Å; L57-C61 WeakPolarHBondContact O-CB 3.38Å; L57-C61 PolarHBondContact O-N 3.21Å; T58-C61 PolarHBondContact O-N 3.24Å; C61-K63 PolarHBondContact O-N 3.22Å; C61-K63 PolarHBondContact SG-O 2.93Å; C61-L65 HydrophobicContact CB-CD2 4.07Å; C61-V123 WeakPolarHBondContact SG-CG1 3.43Å; C61-F124 HydrophobicContact CB-CZ 4.29Å
62	P	93.2	Very high	96.3	Very high	94 Å²	94	54.7 Å²	54.7	61%	0.61	28%	0.278	S	S	*	.	S	Bend	trans	-72.4	-5.2	178.6	29.4	-36.3	0	0	0	113.9	V123	P62-V123 HydrophobicContact CG-CG1 3.83Å; P62-V123 WeakPolarHBondContact CG-O 3.43Å
63	K	93.5	Very high	96.3	Very high	118 Å²	118	48.8 Å²	48.8	51%	0.513	25%	0.247	S	C	.	.	S	Bend	trans	-136.3	163.1	-179.5	-66.3	-174.1	-175.8	168.8	0	109.9	C61 V123	C61-K63 PolarHBondContact O-N 3.22Å; C61-K63 PolarHBondContact SG-O 2.93Å; K63-V123 HydrophobicContact CB-CG2 4.45Å; K63-V123 HydrophobicContact CD-CG2 4.22Å
64	P	93.7	Very high	96.4	Very high	109 Å²	109	48 Å²	48	71%	0.708	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-53.6	143.1	170.1	-26	35.3	0	0	0	112
65	L	96.4	Very high	96.4	Very high	13 Å²	13	48 Å²	48	7%	0.068	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-58.7	141.5	176.2	-68.9	-167.1	0	0	0	111.3	L54 L57 T58 C61 K70 W119	L54-L65 HydrophobicContact CB-CD1 4.2Å; L54-L65 HydrophobicContact CD2-CD1 4.17Å; L57-L65 HydrophobicContact CB-CD2 4.39Å; L57-L65 HydrophobicContact CD2-CD2 3.81Å; L57-L65 HydrophobicContact CG-CD2 3.75Å; T58-L65 WeakPolarHBondContact OG1-CD1 3.43Å; T58-L65 WeakPolarHBondContact OG1-CG 3.28Å; C61-L65 HydrophobicContact CB-CD2 4.07Å; L65-K70 HydrophobicContact CB-CD 4.24Å; L65-K70 HydrophobicContact CB-CG 3.84Å; L65-K70 WeakPolarHBondContact O-CE 3.45Å; L65-W119 HydrophobicContact CD2-CH2 4.02Å; L65-W119 HydrophobicContact CD2-CZ2 4.31Å
66	H	97.4	Very high	96.4	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.093	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-58.8	140.6	175.3	-160.6	-93	0	0	0	111.2	L68 L69 K70 I115 I116 W119	H66-L68 VanDerWaalsContact CE1-CG 3.46Å; H66-L68 WeakPolarHBondContact CE1-CG 3.41Å; H66-L68 WeakPolarHBondContact ND1-CB 3.49Å; H66-L68 VanDerWaalsContact ND1-CG 3.34Å; H66-L68 WeakPolarHBondContact ND1-CG 3.31Å; H66-L68 PolarHBondContact ND1-N 2.92Å; H66-L68 PolarHBondContact O-N 2.92Å; H66-L68 VanDerWaalsContact O-N 3.16Å; H66-L69 WeakPolarHBondContact O-CB 3.49Å; H66-L69 PolarHBondContact O-N 3.4Å; H66-K70 PolarHBondContact O-N 3.24Å; H66-K70 VanDerWaalsContact O-N 3.15Å; H66-I115 VanDerWaalsContact CE1-CG2 3.42Å; H66-I115 WeakPolarHBondContact CE1-CG2 3.22Å; H66-I115 WeakPolarHBondContact NE2-CG2 3.44Å; H66-I116 HydrophobicContact CB-CD1 3.89Å; H66-W119 HydrophobicContact CB-CD2 3.7Å; H66-W119 HydrophobicContact CB-CE3 4.23Å; H66-W119 HydrophobicContact CB-CG 3.84Å; H66-W119 HydrophobicContact CB-CZ2 4.29Å; H66-W119 AromaticContact CD2-CD1 3.5Å; H66-W119 VanDerWaalsContact CD2-CD1 3.5Å; H66-W119 AromaticContact CD2-CG 3.66Å
67	H	97.3	Very high	96.5	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-29.3	-178	63.1	-106.2	0	0	0	112.6	L69 K70 R71 F345	H67-L69 PolarHBondContact O-N 3.38Å; H67-K70 PolarHBondContact O-N 2.9Å; H67-R71 WeakPolarHBondContact O-CB 3.39Å; H67-R71 VanDerWaalsContact O-CG 3.25Å; H67-R71 WeakPolarHBondContact O-CG 3.35Å; H67-R71 PolarHBondContact O-N 3.1Å; H67-F345 PolarHBondContact NE2-O 3.11Å
68	L	97.9	Very high	96.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-26.4	175.2	-59.6	174.7	0	0	0	113.2	H66 I73 F74 V112 I115 I116 F345	H66-L68 VanDerWaalsContact CE1-CG 3.46Å; H66-L68 WeakPolarHBondContact CE1-CG 3.41Å; H66-L68 WeakPolarHBondContact ND1-CB 3.49Å; H66-L68 VanDerWaalsContact ND1-CG 3.34Å; H66-L68 WeakPolarHBondContact ND1-CG 3.31Å; H66-L68 PolarHBondContact ND1-N 2.92Å; H66-L68 PolarHBondContact O-N 2.92Å; H66-L68 VanDerWaalsContact O-N 3.16Å; L68-I73 HydrophobicContact CB-CB 4.12Å; L68-I73 HydrophobicContact CB-CG2 4.48Å; L68-I73 HydrophobicContact CD2-CB 3.93Å; L68-I73 HydrophobicContact CD2-CG1 3.88Å; L68-I73 HydrophobicContact CD2-CG2 3.87Å; L68-I73 WeakPolarHBondContact O-CA 3.44Å; L68-I73 WeakPolarHBondContact O-CB 3.33Å; L68-I73 PolarHBondContact O-N 2.98Å; L68-F74 HydrophobicContact CB-CD2 4Å; L68-F74 HydrophobicContact CB-CE2 4.4Å; L68-F74 HydrophobicContact CD1-CE2 4.29Å; L68-F74 PolarHBondContact O-N 2.78Å; L68-V112 HydrophobicContact CD1-CG1 4.24Å; L68-I115 HydrophobicContact CD1-CB 4.25Å; L68-I115 HydrophobicContact CD1-CG2 3.83Å; L68-I116 HydrophobicContact CD1-CB 4.47Å; L68-F345 HydrophobicContact CD2-CD1 4.19Å
69	L	97.6	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-82.1	-50.1	171.4	-69.1	165.4	0	0	0	110.3	L54 L57 H66 H67 R71 R72 F74 I116 W119 F120	L54-L69 HydrophobicContact CD2-CB 4.14Å; L57-L69 HydrophobicContact CD2-CD1 3.91Å; H66-L69 WeakPolarHBondContact O-CB 3.49Å; H66-L69 PolarHBondContact O-N 3.4Å; H67-L69 PolarHBondContact O-N 3.38Å; L69-R71 VanDerWaalsContact C-N 3.3Å; L69-R71 PolarHBondContact O-N 3.32Å; L69-R72 PolarHBondContact O-N 3Å; L69-F74 HydrophobicContact CD2-CB 3.97Å; L69-I116 HydrophobicContact CD1-CD1 4.14Å; L69-I116 HydrophobicContact CG-CD1 4.07Å; L69-W119 HydrophobicContact CD1-CE3 4.34Å; L69-W119 HydrophobicContact CD1-CH2 3.94Å; L69-W119 HydrophobicContact CD1-CZ3 3.66Å; L69-F120 HydrophobicContact CD1-CZ 4.36Å
70	K	96	Very high	96.7	Very high	88 Å²	88	34.5 Å²	34.5	38%	0.383	17%	0.174	S	C	.	.	H	α-helix	trans	-57.5	-41	-178.6	-65	-172	-66.9	176.2	0	113	L65 H66 H67 R72 D350	L65-K70 HydrophobicContact CB-CD 4.24Å; L65-K70 HydrophobicContact CB-CG 3.84Å; L65-K70 WeakPolarHBondContact O-CE 3.45Å; H66-K70 PolarHBondContact O-N 3.24Å; H66-K70 VanDerWaalsContact O-N 3.15Å; H67-K70 PolarHBondContact O-N 2.9Å; K70-R72 PolarHBondContact O-N 3.2Å; K70-D350 VanDerWaalsContact CE-OD2 3.3Å; K70-D350 WeakPolarHBondContact CE-OD2 3.16Å; K70-D350 IonicContact NZ-OD2 2.75Å; K70-D350 PolarHBondContact NZ-OD2 2.96Å
71	R	96.5	Very high	96.8	Very high	44 Å²	44	34.9 Å²	34.9	17%	0.166	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	10.3	-178.1	-59.6	173.6	-172.6	169.6	-0.8	113.2	H67 L69 I73 K344 L347 E348 D350	H67-R71 WeakPolarHBondContact O-CB 3.39Å; H67-R71 VanDerWaalsContact O-CG 3.25Å; H67-R71 WeakPolarHBondContact O-CG 3.35Å; H67-R71 PolarHBondContact O-N 3.1Å; L69-R71 VanDerWaalsContact C-N 3.3Å; L69-R71 PolarHBondContact O-N 3.32Å; R71-I73 HydrophobicContact CB-CG1 4.4Å; R71-I73 PolarHBondContact O-N 3.3Å; R71-I73 VanDerWaalsContact O-N 3.14Å; R71-K344 WeakPolarHBondContact CD-O 3.34Å; R71-K344 PolarHBondContact NH1-O 2.94Å; R71-L347 PolarHBondContact NH1-O 3.37Å; R71-L347 PolarHBondContact NH2-O 3.2Å; R71-E348 PolarHBondContact NH2-O 3.26Å; R71-D350 IonicContact CZ-OD1 2.94Å; R71-D350 IonicContact NE-OD1 3.08Å; R71-D350 PolarHBondContact NE-OD1 3.49Å; R71-D350 IonicContact NH2-OD1 3.48Å; R71-D350 PolarHBondContact NH2-OD1 2.72Å
72	R	96.3	Very high	96.9	Very high	63 Å²	63	38.5 Å²	38.5	24%	0.238	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	35.3	-179	-48.8	-61.3	-177.5	178.6	-4.8	112.5	I49 D50 D51 L54 L69 K70 F75	I49-R72 VanDerWaalsContact C-NH1 3.29Å; I49-R72 PolarHBondContact O-NH1 3.27Å; D50-R72 PolarHBondContact O-NH1 2.87Å; D50-R72 PolarHBondContact O-NH2 3.19Å; D51-R72 IonicContact OD1-CZ 2.95Å; D51-R72 IonicContact OD1-NH2 3.82Å; D51-R72 PolarHBondContact OD1-NH2 3.03Å; L54-R72 VanDerWaalsContact CD1-NH2 3.35Å; L69-R72 PolarHBondContact O-N 3Å; K70-R72 PolarHBondContact O-N 3.2Å; R72-F75 HydrophobicContact CB-CB 4.43Å; R72-F75 WeakPolarHBondContact O-CB 3.47Å
73	I	97.5	Very high	97.1	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.036	16%	0.162	C	C	.	.	S	Bend	trans	-69.3	-47.1	167.2	-62.8	-58.9	0	0	0	108	L68 R71 V112 S277 V278 F345	L68-I73 HydrophobicContact CB-CB 4.12Å; L68-I73 HydrophobicContact CB-CG2 4.48Å; L68-I73 HydrophobicContact CD2-CB 3.93Å; L68-I73 HydrophobicContact CD2-CG1 3.88Å; L68-I73 HydrophobicContact CD2-CG2 3.87Å; L68-I73 WeakPolarHBondContact O-CA 3.44Å; L68-I73 WeakPolarHBondContact O-CB 3.33Å; L68-I73 PolarHBondContact O-N 2.98Å; R71-I73 HydrophobicContact CB-CG1 4.4Å; R71-I73 PolarHBondContact O-N 3.3Å; R71-I73 VanDerWaalsContact O-N 3.14Å; I73-V112 HydrophobicContact CG2-CG1 4.19Å; I73-S277 CarbonylContact O-C 3.49Å; I73-S277 WeakPolarHBondContact O-CA 3.09Å; I73-V278 HydrophobicContact CB-CG2 4.48Å; I73-V278 HydrophobicContact CD1-CG2 4.06Å; I73-V278 HydrophobicContact CG2-CG2 3.94Å; I73-V278 PolarHBondContact O-N 3.48Å; I73-F345 HydrophobicContact CB-CE1 4.47Å; I73-F345 HydrophobicContact CD1-CD1 4.25Å; I73-F345 HydrophobicContact CD1-CD2 4.45Å; I73-F345 HydrophobicContact CD1-CE1 3.95Å; I73-F345 HydrophobicContact CD1-CE2 4.12Å; I73-F345 HydrophobicContact CD1-CZ 3.87Å; I73-F345 HydrophobicContact CG1-CD1 4.36Å; I73-F345 HydrophobicContact CG1-CE1 4.34Å; I73-F345 HydrophobicContact CG2-CD1 3.76Å; I73-F345 HydrophobicContact CG2-CE1 3.37Å; I73-F345 HydrophobicContact CG2-CZ 4.21Å
74	F	98.3	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	109.1	157.3	-76	-90.9	0	0	0	108.1	I49 L68 L69 V112 I116 P248 I275 Y276	I49-F74 HydrophobicContact CD1-CB 4.35Å; L68-F74 HydrophobicContact CB-CD2 4Å; L68-F74 HydrophobicContact CB-CE2 4.4Å; L68-F74 HydrophobicContact CD1-CE2 4.29Å; L68-F74 PolarHBondContact O-N 2.78Å; L69-F74 HydrophobicContact CD2-CB 3.97Å; F74-V112 HydrophobicContact CE2-CG1 4.2Å; F74-I116 HydrophobicContact CD2-CB 4.37Å; F74-I116 HydrophobicContact CD2-CG1 4.26Å; F74-I116 HydrophobicContact CD2-CG2 4.42Å; F74-I116 HydrophobicContact CE1-CG2 4.06Å; F74-I116 HydrophobicContact CE2-CB 3.71Å; F74-I116 HydrophobicContact CE2-CG1 4.08Å; F74-I116 HydrophobicContact CE2-CG2 3.51Å; F74-I116 HydrophobicContact CZ-CB 4.06Å; F74-I116 HydrophobicContact CZ-CG2 3.31Å; F74-P248 HydrophobicContact CE1-CB 4.07Å; F74-P248 HydrophobicContact CZ-CB 4.4Å; F74-I275 HydrophobicContact CD1-CB 3.93Å; F74-I275 HydrophobicContact CD1-CD1 3.84Å; F74-I275 HydrophobicContact CD1-CG1 3.68Å; F74-I275 HydrophobicContact CE1-CD1 4.19Å; F74-I275 HydrophobicContact CE1-CG1 3.97Å; F74-I275 HydrophobicContact CG-CD1 4.33Å; F74-Y276 CarbonylContact C-O 3.54Å; F74-Y276 VanDerWaalsContact CA-O 3.29Å; F74-Y276 WeakPolarHBondContact CA-O 3.35Å
75	F	97.8	Very high	97.4	Very high	14 Å²	14	25.6 Å²	25.6	6%	0.061	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-23.2	-164.2	74.2	-79.6	0	0	0	113.4	Y37 I41 I49 R72 I251 Y276 V278	Y37-F75 HydrophobicContact CD1-CD1 4.49Å; Y37-F75 AromaticContact CD1-CE1 3.73Å; Y37-F75 HydrophobicContact CD1-CE1 3.73Å; Y37-F75 AromaticContact CD1-CE2 3.97Å; Y37-F75 HydrophobicContact CD1-CE2 3.97Å; Y37-F75 AromaticContact CD1-CZ 3.42Å; Y37-F75 HydrophobicContact CD1-CZ 3.42Å; Y37-F75 VanDerWaalsContact CD1-CZ 3.42Å; Y37-F75 HydrophobicContact CE1-CE1 4.25Å; Y37-F75 HydrophobicContact CE1-CZ 4.3Å; Y37-F75 HydrophobicContact CG-CE1 4.41Å; Y37-F75 HydrophobicContact CG-CE2 4.14Å; Y37-F75 HydrophobicContact CG-CZ 4.04Å; I41-F75 HydrophobicContact CD1-CD2 3.75Å; I41-F75 HydrophobicContact CD1-CE2 3.75Å; I41-F75 HydrophobicContact CG1-CD2 4.22Å; I41-F75 HydrophobicContact CG1-CE2 3.71Å; I49-F75 PolarHBondContact N-O 3.5Å; R72-F75 HydrophobicContact CB-CB 4.43Å; R72-F75 WeakPolarHBondContact O-CB 3.47Å; F75-I251 HydrophobicContact CE1-CB 4.43Å; F75-I251 HydrophobicContact CE1-CD1 4.28Å; F75-I251 HydrophobicContact CE2-CD1 4.34Å; F75-I251 HydrophobicContact CZ-CB 4.42Å; F75-I251 HydrophobicContact CZ-CD1 3.52Å; F75-Y276 VanDerWaalsContact CD1-O 3.3Å; F75-Y276 WeakPolarHBondContact CD1-O 3.32Å; F75-Y276 PolarHBondContact N-O 2.79Å; F75-V278 HydrophobicContact CD1-CG1 3.6Å; F75-V278 HydrophobicContact CE1-CG1 4.02Å; F75-V278 HydrophobicContact CG-CG1 4.19Å
76	S	98.1	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	164.2	-179	59.6	0	0	0	0	111.8	S47 I275 Y276	S47-S76 CarbonylContact O-C 3.6Å; S47-S76 WeakPolarHBondContact O-CA 3.25Å; S47-S76 WeakPolarHBondContact O-CB 3.41Å; S76-I275 WeakPolarHBondContact O-CA 3.43Å; S76-Y276 PolarHBondContact O-N 3.12Å; S76-Y276 WeakPolarHBondContact OG-CB 3.26Å; S76-Y276 WeakPolarHBondContact OG-CD2 3.45Å
77	H	98.6	Very high	97.2	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.046	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	169.5	-173.6	74.2	93.5	0	0	0	113.3	C46 S47 K48 I49 L53 F80 E81 L274 I275	C46-H77 WeakPolarHBondContact CB-O 3.13Å; S47-H77 WeakPolarHBondContact CB-NE2 3.27Å; S47-H77 PolarHBondContact N-O 3.4Å; S47-H77 PolarHBondContact O-CD2 3.05Å; S47-H77 PolarHBondContact O-N 2.99Å; K48-H77 PolarHBondContact O-CD2 2.93Å; K48-H77 PolarHBondContact O-NE2 3.46Å; I49-H77 HydrophobicContact CD1-CB 4.35Å; I49-H77 HydrophobicContact CG1-CB 3.93Å; L53-H77 WeakPolarHBondContact CD2-NE2 3.37Å; H77-F80 HydrophobicContact CB-CB 3.69Å; H77-F80 WeakPolarHBondContact ND1-CB 3.23Å; H77-F80 PolarHBondContact ND1-N 3.36Å; H77-E81 IonicContact CE1-OE2 3.58Å; H77-E81 PolarHBondContact CE1-OE2 3.21Å; H77-E81 IonicContact ND1-OE2 3.51Å; H77-E81 PolarHBondContact ND1-OE2 3.17Å; H77-L274 CarbonylContact C-O 3.56Å; H77-L274 WeakPolarHBondContact CA-O 3.48Å; H77-L274 WeakPolarHBondContact CB-O 3.5Å; H77-I275 HydrophobicContact CB-CG2 4.13Å
78	R	98.5	Very high	97.1	Very high	25 Å²	25	30 Å²	30	9%	0.094	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125	160.9	-63.3	-176.5	-175.2	-78.2	2.7	108.4	F44 G45 C46 F80 D254 S273 L274 Y276	F44-R78 PolarHBondContact O-NH2 2.88Å; G45-R78 PolarHBondContact O-NH1 3.05Å; C46-R78 HydrophobicContact CB-CG 4.12Å; R78-F80 PolarHBondContact O-N 3.44Å; R78-F80 VanDerWaalsContact O-N 3.16Å; R78-D254 IonicContact CZ-OD1 3.68Å; R78-D254 IonicContact CZ-OD2 3.59Å; R78-D254 IonicContact NE-OD1 3.71Å; R78-D254 PolarHBondContact NE-OD1 2.98Å; R78-D254 IonicContact NE-OD2 3.66Å; R78-D254 IonicContact NH2-OD1 2.59Å; R78-D254 PolarHBondContact NH2-OD1 3.11Å; R78-D254 IonicContact NH2-OD2 2.69Å; R78-D254 PolarHBondContact NH2-OD2 2.91Å; R78-S273 CarbonylContact O-C 3.28Å; R78-S273 VanDerWaalsContact O-CA 3.22Å; R78-S273 WeakPolarHBondContact O-CA 3.41Å; R78-S273 WeakPolarHBondContact O-CB 3.49Å; R78-L274 HydrophobicContact CB-CB 4.36Å; R78-L274 HydrophobicContact CB-CD1 4.09Å; R78-L274 HydrophobicContact CG-CD1 4.47Å; R78-L274 PolarHBondContact N-O 3.42Å; R78-L274 PolarHBondContact O-N 3.44Å; R78-Y276 VanDerWaalsContact CD-OH 3.3Å; R78-Y276 WeakPolarHBondContact CD-OH 3.48Å; R78-Y276 HydrophobicContact CG-CE2 4.08Å; R78-Y276 PolarHBondContact NE-OH 3.23Å
79	D	98.2	Very high	97	Very high	44 Å²	44	34.4 Å²	34.4	24%	0.235	16%	0.155	C	C	.	.	S	Bend	trans	51.6	35.7	176.9	-53.8	0.5	0	0	0	114.1	E81 Q82 R261 S273	D79-E81 VanDerWaalsContact C-N 3.32Å; D79-E81 VanDerWaalsContact C-OE2 3.23Å; D79-E81 WeakPolarHBondContact CA-OE1 3.46Å; D79-E81 VanDerWaalsContact CA-OE2 3.32Å; D79-E81 WeakPolarHBondContact CA-OE2 3.14Å; D79-Q82 HydrophobicContact CB-CB 4.31Å; D79-Q82 HydrophobicContact CB-CG 3.89Å; D79-Q82 WeakPolarHBondContact O-CB 3.29Å; D79-Q82 PolarHBondContact O-N 2.89Å; D79-R261 VanDerWaalsContact CG-NH1 3.32Å; D79-R261 IonicContact OD1-CZ 3.23Å; D79-R261 IonicContact OD1-NH1 3.98Å; D79-R261 IonicContact OD1-NH2 2.82Å; D79-R261 PolarHBondContact OD1-NH2 2.84Å; D79-R261 IonicContact OD2-CZ 2.68Å; D79-R261 IonicContact OD2-NH1 2.74Å; D79-R261 PolarHBondContact OD2-NH1 3.12Å; D79-R261 IonicContact OD2-NH2 3.47Å; D79-R261 PolarHBondContact OD2-NH2 3.36Å; D79-S273 WeakPolarHBondContact O-CB 3.15Å; D79-S273 PolarHBondContact O-OG 2.93Å
80	F	98.2	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-74.4	-30.2	-179.4	-178.6	-134.1	0	0	0	111.1	L53 L57 H77 R78 Q82 I83 I84 F120 L246 I275	L53-F80 HydrophobicContact CD2-CB 4.45Å; L53-F80 HydrophobicContact CD2-CD1 3.79Å; L53-F80 HydrophobicContact CG-CD1 4.21Å; L57-F80 HydrophobicContact CD2-CE1 4.21Å; L57-F80 HydrophobicContact CD2-CZ 3.98Å; H77-F80 HydrophobicContact CB-CB 3.69Å; H77-F80 WeakPolarHBondContact ND1-CB 3.23Å; H77-F80 PolarHBondContact ND1-N 3.36Å; R78-F80 PolarHBondContact O-N 3.44Å; R78-F80 VanDerWaalsContact O-N 3.16Å; F80-Q82 PolarHBondContact O-N 3.35Å; F80-I83 HydrophobicContact CD2-CB 4.09Å; F80-I83 HydrophobicContact CD2-CG1 4.48Å; F80-I83 HydrophobicContact CE2-CB 4.4Å; F80-I83 HydrophobicContact CE2-CG2 4.4Å; F80-I83 WeakPolarHBondContact O-CB 3.44Å; F80-I83 PolarHBondContact O-N 3.25Å; F80-I84 HydrophobicContact CD1-CD1 4.2Å; F80-I84 HydrophobicContact CE1-CD1 4.05Å; F80-I84 HydrophobicContact CE1-CG1 4.46Å; F80-I84 HydrophobicContact CZ-CD1 4.42Å; F80-I84 HydrophobicContact CZ-CG1 4.37Å; F80-I84 PolarHBondContact O-N 3.33Å; F80-F120 HydrophobicContact CE2-CE1 4.32Å; F80-F120 HydrophobicContact CE2-CZ 4.06Å; F80-F120 HydrophobicContact CZ-CE1 4.26Å; F80-F120 AromaticContact CZ-CZ 3.88Å; F80-F120 HydrophobicContact CZ-CZ 3.88Å; F80-L246 HydrophobicContact CD2-CD1 4.08Å; F80-L246 HydrophobicContact CD2-CD2 4.5Å; F80-L246 HydrophobicContact CE2-CD1 4.42Å; F80-L246 HydrophobicContact CE2-CD2 4.07Å; F80-I275 HydrophobicContact CB-CG2 4.13Å; F80-I275 HydrophobicContact CD1-CG2 3.95Å; F80-I275 HydrophobicContact CD2-CG2 3.72Å; F80-I275 HydrophobicContact CE1-CG2 4.29Å; F80-I275 HydrophobicContact CE2-CG2 4.08Å; F80-I275 HydrophobicContact CG-CG2 3.67Å; F80-I275 HydrophobicContact CZ-CG2 4.35Å
81	E	97.9	Very high	96.5	Very high	55 Å²	55	42.1 Å²	42.1	26%	0.257	19%	0.188	S	C	.	.	H	α-helix	trans	-55.1	-28.6	166.8	69.7	-77.2	-176.5	0	0	113.1	L53 H77 D79 L85	L53-E81 HydrophobicContact CD1-CB 3.89Å; H77-E81 IonicContact CE1-OE2 3.58Å; H77-E81 PolarHBondContact CE1-OE2 3.21Å; H77-E81 IonicContact ND1-OE2 3.51Å; H77-E81 PolarHBondContact ND1-OE2 3.17Å; D79-E81 VanDerWaalsContact C-N 3.32Å; D79-E81 VanDerWaalsContact C-OE2 3.23Å; D79-E81 WeakPolarHBondContact CA-OE1 3.46Å; D79-E81 VanDerWaalsContact CA-OE2 3.32Å; D79-E81 WeakPolarHBondContact CA-OE2 3.14Å; E81-L85 WeakPolarHBondContact O-CB 3.46Å; E81-L85 PolarHBondContact O-N 3.19Å
82	Q	97	Very high	96.2	Very high	93 Å²	93	41.7 Å²	41.7	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-74.5	-32.7	174.5	-59	-59.1	-37.5	0	0	111.9	D79 F80 R86	D79-Q82 HydrophobicContact CB-CB 4.31Å; D79-Q82 HydrophobicContact CB-CG 3.89Å; D79-Q82 WeakPolarHBondContact O-CB 3.29Å; D79-Q82 PolarHBondContact O-N 2.89Å; F80-Q82 PolarHBondContact O-N 3.35Å; Q82-R86 WeakPolarHBondContact O-CG 3.46Å; Q82-R86 PolarHBondContact O-N 2.98Å
83	I	97	Very high	96.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-70	-44.6	173.1	-61	-62.9	0	0	0	110.3	F80 L85 R86 I87 F93 L246 S273	F80-I83 HydrophobicContact CD2-CB 4.09Å; F80-I83 HydrophobicContact CD2-CG1 4.48Å; F80-I83 HydrophobicContact CE2-CB 4.4Å; F80-I83 HydrophobicContact CE2-CG2 4.4Å; F80-I83 WeakPolarHBondContact O-CB 3.44Å; F80-I83 PolarHBondContact O-N 3.25Å; I83-L85 VanDerWaalsContact C-N 3.3Å; I83-L85 PolarHBondContact O-N 3.3Å; I83-R86 WeakPolarHBondContact O-CB 3.41Å; I83-R86 PolarHBondContact O-N 3.01Å; I83-I87 HydrophobicContact CG2-CD1 4.24Å; I83-I87 WeakPolarHBondContact O-CG1 3.3Å; I83-I87 PolarHBondContact O-N 3.49Å; I83-F93 HydrophobicContact CD1-CB 4.38Å; I83-F93 HydrophobicContact CD1-CD2 4.12Å; I83-F93 HydrophobicContact CD1-CG 4.34Å; I83-F93 HydrophobicContact CG2-CD2 4.03Å; I83-F93 HydrophobicContact CG2-CE1 4.32Å; I83-F93 HydrophobicContact CG2-CE2 3.64Å; I83-F93 HydrophobicContact CG2-CZ 3.8Å; I83-L246 HydrophobicContact CD1-CB 4Å; I83-L246 HydrophobicContact CG1-CB 4.05Å; I83-L246 HydrophobicContact CG1-CD1 4.25Å; I83-L246 HydrophobicContact CG2-CD2 4.18Å; I83-S273 VanDerWaalsContact CG1-CB 3.44Å; I83-S273 WeakPolarHBondContact CG1-OG 3.29Å
84	I	97.2	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.8	-46.2	173.7	-66.4	176.1	0	0	0	110.3	L53 R56 L57 I60 F80 R86 I87 E88	L53-I84 HydrophobicContact CD1-CD1 3.51Å; L53-I84 HydrophobicContact CG-CD1 3.93Å; R56-I84 HydrophobicContact CB-CG2 4.49Å; R56-I84 HydrophobicContact CG-CG2 3.71Å; L57-I84 HydrophobicContact CB-CD1 4.03Å; L57-I84 HydrophobicContact CD1-CG1 4.21Å; I60-I84 HydrophobicContact CD1-CB 4.46Å; I60-I84 HydrophobicContact CD1-CG2 3.71Å; F80-I84 HydrophobicContact CD1-CD1 4.2Å; F80-I84 HydrophobicContact CE1-CD1 4.05Å; F80-I84 HydrophobicContact CE1-CG1 4.46Å; F80-I84 HydrophobicContact CZ-CD1 4.42Å; F80-I84 HydrophobicContact CZ-CG1 4.37Å; F80-I84 PolarHBondContact O-N 3.33Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.01Å; I84-I87 PolarHBondContact O-N 2.94Å; I84-E88 WeakPolarHBondContact O-CG 3.48Å; I84-E88 PolarHBondContact O-N 3.2Å
85	L	96.7	Very high	96.1	Very high	49 Å²	49	38.4 Å²	38.4	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-60.3	-37	175	-175.8	63.6	0	0	0	112.8	E81 I83 E88 Q89	E81-L85 WeakPolarHBondContact O-CB 3.46Å; E81-L85 PolarHBondContact O-N 3.19Å; I83-L85 VanDerWaalsContact C-N 3.3Å; I83-L85 PolarHBondContact O-N 3.3Å; L85-E88 WeakPolarHBondContact CD1-OE2 3.41Å; L85-E88 PolarHBondContact O-N 3.42Å; L85-Q89 HydrophobicContact CD1-CG 4.24Å; L85-Q89 HydrophobicContact CG-CG 4.48Å; L85-Q89 WeakPolarHBondContact O-CB 3.43Å; L85-Q89 VanDerWaalsContact O-CG 3.26Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 3.43Å
86	R	94.6	Very high	96.1	Very high	41 Å²	41	37.9 Å²	37.9	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-40.6	175.3	-78	177.8	172.7	-87	-8.4	112.2	Q82 I83 I84 Q89 K90 K91 P92 F93 D242	Q82-R86 WeakPolarHBondContact O-CG 3.46Å; Q82-R86 PolarHBondContact O-N 2.98Å; I83-R86 WeakPolarHBondContact O-CB 3.41Å; I83-R86 PolarHBondContact O-N 3.01Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.01Å; R86-Q89 CarbonylContact O-C 3.5Å; R86-Q89 PolarHBondContact O-N 3.23Å; R86-K90 PolarHBondContact O-N 2.98Å; R86-K91 HydrophobicContact CB-CB 4.16Å; R86-K91 HydrophobicContact CG-CB 4.07Å; R86-K91 PolarHBondContact O-N 2.95Å; R86-P92 PolarHBondContact NH1-O 2.85Å; R86-F93 HydrophobicContact CB-CD1 4.32Å; R86-D242 VanDerWaalsContact CZ-O 3.3Å; R86-D242 PolarHBondContact NH1-O 2.89Å; R86-D242 PolarHBondContact NH2-O 3.47Å
87	I	95	Very high	96.2	Very high	15 Å²	15	38.1 Å²	38.1	8%	0.077	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-48.3	174.5	-62.7	163.7	0	0	0	109.7	I60 I83 I84 Q89 K90 F93 F124	I60-I87 HydrophobicContact CD1-CB 3.86Å; I60-I87 HydrophobicContact CD1-CD1 4.33Å; I60-I87 HydrophobicContact CD1-CG2 3.71Å; I60-I87 HydrophobicContact CG1-CG2 4.42Å; I83-I87 HydrophobicContact CG2-CD1 4.24Å; I83-I87 WeakPolarHBondContact O-CG1 3.3Å; I83-I87 PolarHBondContact O-N 3.49Å; I84-I87 PolarHBondContact O-N 2.94Å; I87-Q89 VanDerWaalsContact C-N 3.29Å; I87-Q89 PolarHBondContact O-N 3.49Å; I87-K90 PolarHBondContact O-N 3.33Å; I87-K90 VanDerWaalsContact O-N 3.11Å; I87-F93 HydrophobicContact CD1-CE1 4.27Å; I87-F93 HydrophobicContact CD1-CZ 4.04Å; I87-F93 HydrophobicContact CG1-CE1 3.53Å; I87-F93 HydrophobicContact CG1-CZ 3.82Å; I87-F124 HydrophobicContact CD1-CD1 4.12Å; I87-F124 HydrophobicContact CD1-CD2 4.37Å; I87-F124 HydrophobicContact CD1-CE1 4.01Å; I87-F124 HydrophobicContact CD1-CE2 4.24Å; I87-F124 HydrophobicContact CD1-CG 4.3Å; I87-F124 HydrophobicContact CD1-CZ 4.06Å; I87-F124 HydrophobicContact CG1-CD1 4.41Å; I87-F124 HydrophobicContact CG2-CD1 3.75Å; I87-F124 HydrophobicContact CG2-CE1 3.69Å
88	E	94.9	Very high	96.1	Very high	79 Å²	79	39.4 Å²	39.4	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-56.1	-41.8	176.5	-72.6	167	176.8	0	0	112.5	R56 I60 I84 L85 K90	R56-E88 IonicContact CZ-OE1 2.7Å; R56-E88 IonicContact CZ-OE2 3.77Å; R56-E88 IonicContact NE-OE1 2.87Å; R56-E88 PolarHBondContact NE-OE1 3.23Å; R56-E88 IonicContact NE-OE2 2.61Å; R56-E88 IonicContact NH2-OE1 3.2Å; R56-E88 PolarHBondContact NH2-OE1 3.35Å; R56-E88 IonicContact NH2-OE2 3.85Å; R56-E88 PolarHBondContact NH2-OE2 3.39Å; I60-E88 HydrophobicContact CD1-CG 4.21Å; I60-E88 HydrophobicContact CG2-CG 3.82Å; I84-E88 WeakPolarHBondContact O-CG 3.48Å; I84-E88 PolarHBondContact O-N 3.2Å; L85-E88 WeakPolarHBondContact CD1-OE2 3.41Å; L85-E88 PolarHBondContact O-N 3.42Å; E88-K90 VanDerWaalsContact C-N 3.33Å
89	Q	94.2	Very high	96.1	Very high	95 Å²	95	39.4 Å²	39.4	44%	0.444	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2	-178.7	-66.3	178.9	-1.3	0	0	113.9	L85 R86 I87 K91	L85-Q89 HydrophobicContact CD1-CG 4.24Å; L85-Q89 HydrophobicContact CG-CG 4.48Å; L85-Q89 WeakPolarHBondContact O-CB 3.43Å; L85-Q89 VanDerWaalsContact O-CG 3.26Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 3.43Å; R86-Q89 CarbonylContact O-C 3.5Å; R86-Q89 PolarHBondContact O-N 3.23Å; I87-Q89 VanDerWaalsContact C-N 3.29Å; I87-Q89 PolarHBondContact O-N 3.49Å; Q89-K91 HydrophobicContact CB-CD 4.17Å; Q89-K91 HydrophobicContact CB-CG 4.04Å; Q89-K91 PolarHBondContact O-N 2.95Å
90	K	91.8	Very high	96.1	Very high	152 Å²	152	37.9 Å²	37.9	66%	0.661	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	41.7	-173.5	-56.4	-177.3	-179	-179.7	0	112.6	R86 I87 E88 F410	R86-K90 PolarHBondContact O-N 2.98Å; I87-K90 PolarHBondContact O-N 3.33Å; I87-K90 VanDerWaalsContact O-N 3.11Å; E88-K90 VanDerWaalsContact C-N 3.33Å; K90-F410 HydrophobicContact CB-CB 4.11Å; K90-F410 HydrophobicContact CB-CD1 3.94Å; K90-F410 HydrophobicContact CB-CG 4.03Å; K90-F410 HydrophobicContact CG-CD1 4.21Å; K90-F410 VanDerWaalsContact O-CB 3.29Å; K90-F410 WeakPolarHBondContact O-CB 3.33Å
91	K	91.7	Very high	95.9	Very high	97 Å²	97	37.9 Å²	37.9	42%	0.422	19%	0.188	S	C	.	.			trans	-94.5	142.6	176.5	-75.2	-179.2	176.6	167.9	0	110.6	R86 Q89	R86-K91 HydrophobicContact CB-CB 4.16Å; R86-K91 HydrophobicContact CG-CB 4.07Å; R86-K91 PolarHBondContact O-N 2.95Å; Q89-K91 HydrophobicContact CB-CD 4.17Å; Q89-K91 HydrophobicContact CB-CG 4.04Å; Q89-K91 PolarHBondContact O-N 2.95Å
92	P	90.8	Very high	95.4	Very high	35 Å²	35	37.6 Å²	37.6	23%	0.227	19%	0.193	C	C	.	.			trans	-66.9	142.7	-177.7	28.1	-35	0	0	0	111.8	R86 L237 V243 G244	R86-P92 PolarHBondContact NH1-O 2.85Å; P92-L237 HydrophobicContact CB-CD2 4.12Å; P92-L237 HydrophobicContact CG-CD2 4.1Å; P92-V243 HydrophobicContact CG-CG2 4.38Å; P92-G244 PolarHBondContact O-N 2.92Å
93	F	94.9	Very high	95.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	165.8	164.5	70.8	-79.7	0	0	0	108.6	I83 R86 I87 I126 G244 L246 F410	I83-F93 HydrophobicContact CD1-CB 4.38Å; I83-F93 HydrophobicContact CD1-CD2 4.12Å; I83-F93 HydrophobicContact CD1-CG 4.34Å; I83-F93 HydrophobicContact CG2-CD2 4.03Å; I83-F93 HydrophobicContact CG2-CE1 4.32Å; I83-F93 HydrophobicContact CG2-CE2 3.64Å; I83-F93 HydrophobicContact CG2-CZ 3.8Å; R86-F93 HydrophobicContact CB-CD1 4.32Å; I87-F93 HydrophobicContact CD1-CE1 4.27Å; I87-F93 HydrophobicContact CD1-CZ 4.04Å; I87-F93 HydrophobicContact CG1-CE1 3.53Å; I87-F93 HydrophobicContact CG1-CZ 3.82Å; F93-I126 HydrophobicContact CD1-CD1 4.15Å; F93-I126 HydrophobicContact CD2-CG2 4.02Å; F93-I126 HydrophobicContact CE1-CD1 3.39Å; F93-I126 HydrophobicContact CE1-CG1 4.17Å; F93-I126 HydrophobicContact CE2-CD1 4.05Å; F93-I126 HydrophobicContact CE2-CG1 3.96Å; F93-I126 HydrophobicContact CE2-CG2 3.79Å; F93-I126 HydrophobicContact CZ-CD1 3.34Å; F93-I126 HydrophobicContact CZ-CG1 3.58Å; F93-I126 HydrophobicContact CZ-CG2 4.2Å; F93-I126 WeakPolarHBondContact O-CG2 3.17Å; F93-G244 CarbonylContact C-O 3.39Å; F93-G244 WeakPolarHBondContact CA-O 3.3Å; F93-G244 VanDerWaalsContact CB-O 3.27Å; F93-G244 WeakPolarHBondContact CB-O 3.11Å; F93-L246 HydrophobicContact CD2-CB 4.37Å; F93-L246 HydrophobicContact CE2-CB 4.49Å; F93-F410 HydrophobicContact CE1-CE2 4.49Å
94	F	96.6	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159.7	174.9	72.5	-75.4	0	0	0	111.2	P127 V129 P224 A227 F234 V243 G244 C245 L246	F94-P127 HydrophobicContact CB-CB 4.44Å; F94-P127 HydrophobicContact CB-CG 3.68Å; F94-V129 HydrophobicContact CD2-CG1 4.45Å; F94-V129 HydrophobicContact CD2-CG2 3.86Å; F94-V129 HydrophobicContact CE2-CG2 3.65Å; F94-P224 WeakPolarHBondContact CE2-O 3.49Å; F94-P224 WeakPolarHBondContact CZ-O 3.5Å; F94-A227 HydrophobicContact CE1-CB 4.25Å; F94-F234 HydrophobicContact CB-CE1 3.97Å; F94-F234 HydrophobicContact CB-CZ 3.77Å; F94-F234 HydrophobicContact CD1-CZ 4.01Å; F94-F234 HydrophobicContact CD2-CE2 4.34Å; F94-F234 AromaticContact CD2-CZ 3.74Å; F94-F234 HydrophobicContact CD2-CZ 3.74Å; F94-F234 HydrophobicContact CE2-CE2 4.48Å; F94-F234 HydrophobicContact CE2-CZ 4.32Å; F94-F234 HydrophobicContact CG-CE1 4.22Å; F94-F234 HydrophobicContact CG-CE2 4.36Å; F94-F234 AromaticContact CG-CZ 3.57Å; F94-F234 HydrophobicContact CG-CZ 3.57Å; F94-V243 HydrophobicContact CD1-CG1 3.89Å; F94-V243 HydrophobicContact CE1-CG1 4.47Å; F94-G244 WeakPolarHBondContact CD1-O 3.27Å; F94-G244 PolarHBondContact N-O 2.98Å; F94-C245 HydrophobicContact CD1-CB 4.27Å; F94-C245 HydrophobicContact CE1-CB 3.62Å; F94-C245 HydrophobicContact CE2-CB 4.49Å; F94-C245 HydrophobicContact CZ-CB 3.75Å; F94-C245 VanDerWaalsContact CZ-SG 3.51Å; F94-C245 WeakPolarHBondContact O-CA 3.37Å; F94-L246 PolarHBondContact O-N 3.16Å
95	L	98.4	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.1	171	-64	165.5	0	0	0	109.7	N117 F120 Q121 I126 P127 L128 V129 L246 P248	L95-N117 WeakPolarHBondContact CD1-O 3.5Å; L95-F120 HydrophobicContact CD1-CB 3.72Å; L95-F120 HydrophobicContact CD2-CB 4.01Å; L95-F120 HydrophobicContact CD2-CG 4.35Å; L95-F120 HydrophobicContact CG-CB 4.45Å; L95-Q121 HydrophobicContact CD1-CB 4.34Å; L95-I126 HydrophobicContact CD1-CB 4.3Å; L95-I126 HydrophobicContact CD1-CG2 4.31Å; L95-I126 HydrophobicContact CG-CB 4.4Å; L95-I126 HydrophobicContact CG-CG2 3.88Å; L95-P127 PolarHBondContact N-O 3.42Å; L95-L128 HydrophobicContact CB-CB 4.19Å; L95-L128 HydrophobicContact CB-CD1 3.51Å; L95-L128 HydrophobicContact CB-CG 4.42Å; L95-L128 WeakPolarHBondContact O-CA 3.42Å; L95-V129 PolarHBondContact O-N 3.25Å; L95-L246 CarbonylContact C-O 3.59Å; L95-L246 WeakPolarHBondContact CA-O 3.41Å; L95-L246 HydrophobicContact CD2-CB 4.08Å; L95-L246 HydrophobicContact CD2-CD2 3.81Å; L95-L246 HydrophobicContact CD2-CG 4.05Å; L95-P248 HydrophobicContact CD2-CG 4.33Å
96	Y	98.6	Very high	94.5	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.3	169.3	163.9	-140.2	0	0	0	109.5	V129 Q131 Q221 P224 L246 I247 F257	Y96-V129 WeakPolarHBondContact CA-O 3.48Å; Y96-V129 HydrophobicContact CD2-CG2 3.94Å; Y96-V129 HydrophobicContact CG-CG2 4.15Å; Y96-Q131 HydrophobicContact CE2-CB 3.82Å; Y96-Q131 PolarHBondContact OH-OE1 3.47Å; Y96-Q221 PolarHBondContact OH-O 3.48Å; Y96-P224 HydrophobicContact CD1-CB 3.97Å; Y96-P224 HydrophobicContact CD2-CB 3.88Å; Y96-P224 HydrophobicContact CE1-CB 3.63Å; Y96-P224 HydrophobicContact CE1-CG 4.29Å; Y96-P224 HydrophobicContact CE2-CB 3.59Å; Y96-P224 HydrophobicContact CE2-CG 4.11Å; Y96-P224 HydrophobicContact CG-CB 4.11Å; Y96-P224 VanDerWaalsContact CZ-CB 3.46Å; Y96-L246 PolarHBondContact N-O 2.91Å; Y96-I247 HydrophobicContact CD1-CD1 3.63Å; Y96-I247 HydrophobicContact CD1-CG1 3.81Å; Y96-I247 HydrophobicContact CE1-CD1 4.08Å; Y96-I247 HydrophobicContact CG-CG1 4.4Å; Y96-I247 VanDerWaalsContact O-CA 3.29Å; Y96-I247 WeakPolarHBondContact O-CA 3.2Å; Y96-I247 WeakPolarHBondContact O-CG2 3.3Å; Y96-F257 AromaticContact CE1-CE1 3.68Å; Y96-F257 HydrophobicContact CE1-CE1 3.68Å; Y96-F257 HydrophobicContact CE1-CZ 4.03Å
97	T	98.6	Very high	94.5	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	175.9	166.4	-160.6	0	0	0	0	109.6	F114 L128 V129 I130 Q131 P248	T97-F114 HydrophobicContact CG2-CD1 4.09Å; T97-F114 HydrophobicContact CG2-CE1 3.78Å; T97-L128 HydrophobicContact CG2-CD1 4.34Å; T97-V129 PolarHBondContact N-O 3.4Å; T97-I130 HydrophobicContact CG2-CG1 4.28Å; T97-I130 HydrophobicContact CG2-CG2 4.44Å; T97-I130 VanDerWaalsContact O-CA 3.32Å; T97-I130 WeakPolarHBondContact O-CA 3.24Å; T97-Q131 PolarHBondContact O-N 3.34Å; T97-P248 PolarHBondContact OG1-O 3.23Å
98	G	98.1	Very high	94.5	Very high	36 Å²	36	35.9 Å²	35.9	37%	0.371	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	165.7	-176	0	0	0	0	0	113.7	Q131	G98-Q131 CarbonylContact C-O 3.6Å; G98-Q131 WeakPolarHBondContact CA-O 3.5Å
99	R	98	Very high	94.4	Very high	25 Å²	25	32.9 Å²	32.9	9%	0.094	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	124.8	176.4	167.8	61.5	-175.5	159.7	-1.4	109.5	P101 S102 L106 H110 F114 Q131 L132 T133 N155 I159	R99-P101 VanDerWaalsContact O-CD 3.28Å; R99-P101 WeakPolarHBondContact O-CD 3.09Å; R99-S102 PolarHBondContact NH2-OG 3.43Å; R99-L106 HydrophobicContact CG-CD2 4.2Å; R99-L106 VanDerWaalsContact NE-CD2 3.3Å; R99-H110 PolarHBondContact NH1-CD2 3.44Å; R99-H110 PolarHBondContact NH1-CE1 3.3Å; R99-H110 PolarHBondContact NH1-NE2 2.94Å; R99-H110 PolarHBondContact NH2-CE1 2.99Å; R99-F114 HydrophobicContact CB-CZ 4.06Å; R99-Q131 PolarHBondContact N-O 3.46Å; R99-L132 HydrophobicContact CB-CD2 3.89Å; R99-L132 HydrophobicContact CG-CD2 4.28Å; R99-L132 WeakPolarHBondContact O-CA 3.33Å; R99-T133 PolarHBondContact O-N 2.88Å; R99-T133 VanDerWaalsContact O-N 3.13Å; R99-N155 PolarHBondContact NE-OD1 2.94Å; R99-I159 HydrophobicContact CB-CD1 4.17Å; R99-I159 HydrophobicContact CG-CD1 4.44Å
100	G	97	Very high	94.4	Very high	12 Å²	12	30.1 Å²	30.1	12%	0.124	17%	0.166	C	C	.	.			trans	-84.3	108.8	165.9	0	0	0	0	0	112	S102 T133 K137	G100-S102 PolarHBondContact O-N 3.17Å; G100-T133 WeakPolarHBondContact CA-OG1 3.35Å; G100-K137 VanDerWaalsContact O-CE 3.3Å; G100-K137 WeakPolarHBondContact O-CE 3.3Å
101	P	95.2	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.			trans	-74.7	90.4	-171.3	30.4	-34.4	0	0	0	111.8	R99 D134 K137 L151 T152 N155	R99-P101 VanDerWaalsContact O-CD 3.28Å; R99-P101 WeakPolarHBondContact O-CD 3.09Å; P101-D134 HydrophobicContact CG-CB 4.3Å; P101-K137 HydrophobicContact CG-CG 4.46Å; P101-L151 HydrophobicContact CB-CB 3.98Å; P101-L151 WeakPolarHBondContact O-CD1 3.43Å; P101-T152 WeakPolarHBondContact CG-OG1 3.33Å; P101-N155 HydrophobicContact CB-CB 4.25Å
102	S	87.7	Confident	94.9	Very high	50 Å²	50	18.5 Å²	18.5	35%	0.35	12%	0.115	S	C	.	.			trans	-104.2	-7.5	-175.5	65.5	0	0	0	0	115.1	R99 G100	R99-S102 PolarHBondContact NH2-OG 3.43Å; G100-S102 PolarHBondContact O-N 3.17Å
103	S	90	Very high	95.2	Very high	22 Å²	22	17.7 Å²	17.7	15%	0.154	11%	0.11	C	C	.	.	S	Bend	trans	-152.5	153	-177.3	54.5	0	0	0	0	108.8	A105 N155	S103-A105 PolarHBondContact O-N 3.01Å; S103-A105 PolarHBondContact OG-O 3.01Å; S103-N155 PolarHBondContact O-ND2 3.45Å
104	E	90.4	Very high	95.3	Very high	129 Å²	129	17.8 Å²	17.8	60%	0.603	11%	0.111	S	C	*	.	S	Bend	trans	-58.8	-35.5	-177.7	-69.1	-178.2	177.7	0	0	113	L151 E154 N155	E104-L151 HydrophobicContact CB-CD2 4.45Å; E104-L151 HydrophobicContact CG-CD2 3.86Å; E104-E154 WeakPolarHBondContact O-CB 3.29Å; E104-N155 PolarHBondContact O-ND2 3.18Å
105	A	91.9	Very high	95.4	Very high	8 Å²	8	19.1 Å²	19.1	7%	0.066	12%	0.117	C	C	.	.	S	Bend	trans	-117.4	149.4	-178.8	0	0	0	0	0	112.3	S103 D158 F300 T302	S103-A105 PolarHBondContact O-N 3.01Å; S103-A105 PolarHBondContact OG-O 3.01Å; A105-D158 WeakPolarHBondContact CA-OD2 3.44Å; A105-F300 HydrophobicContact CB-CD1 4.42Å; A105-T302 HydrophobicContact CB-CG2 3.58Å; A105-T302 WeakPolarHBondContact CB-OG1 3.38Å
106	L	95.5	Very high	95.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.			trans	-71.5	153.1	164.8	-59.8	-173.4	0	0	0	111.3	R99 H110 F114 N155 D158 I159 F300 L301	R99-L106 HydrophobicContact CG-CD2 4.2Å; R99-L106 VanDerWaalsContact NE-CD2 3.3Å; L106-H110 HydrophobicContact CB-CB 4.15Å; L106-H110 HydrophobicContact CD1-CB 4.42Å; L106-H110 HydrophobicContact CD2-CB 4.01Å; L106-H110 HydrophobicContact CG-CB 4.43Å; L106-F114 HydrophobicContact CD1-CD2 4.36Å; L106-F114 HydrophobicContact CD1-CE2 4.09Å; L106-N155 WeakPolarHBondContact CD2-OD1 3.3Å; L106-D158 HydrophobicContact CB-CB 4.45Å; L106-D158 HydrophobicContact CD1-CB 3.77Å; L106-D158 HydrophobicContact CG-CB 3.78Å; L106-D158 PolarHBondContact N-OD2 2.94Å; L106-I159 HydrophobicContact CD1-CG1 4.16Å; L106-F300 WeakPolarHBondContact O-CA 3.46Å; L106-L301 HydrophobicContact CB-CD1 3.76Å; L106-L301 HydrophobicContact CB-CG 4.24Å; L106-L301 WeakPolarHBondContact O-CG 3.35Å; L106-L301 PolarHBondContact O-N 3.49Å
107	H	94.6	Very high	95.4	Very high	4 Å²	4	19 Å²	19	2%	0.019	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-109.3	165.7	166.1	61.2	56.4	0	0	0	110.3	G109 H110 M290 V299 F300	H107-G109 PolarHBondContact ND1-N 3.28Å; H107-G109 PolarHBondContact O-N 3.12Å; H107-G109 VanDerWaalsContact O-N 3.07Å; H107-H110 AromaticContact CD2-CE1 3.24Å; H107-H110 PolarHBondContact CD2-CE1 3.15Å; H107-H110 AromaticContact CD2-ND1 3.75Å; H107-H110 AromaticContact CD2-NE2 3.8Å; H107-H110 AromaticContact CE1-CD2 3.42Å; H107-H110 PolarHBondContact CE1-CD2 2.77Å; H107-H110 VanDerWaalsContact CE1-CD2 3.42Å; H107-H110 AromaticContact CE1-CE1 3.39Å; H107-H110 PolarHBondContact CE1-CE1 2.63Å; H107-H110 AromaticContact CE1-CG 3.71Å; H107-H110 AromaticContact CE1-ND1 3.72Å; H107-H110 AromaticContact CE1-NE2 3.25Å; H107-H110 PolarHBondContact CE1-NE2 3.15Å; H107-H110 AromaticContact CG-CE1 3.65Å; H107-H110 AromaticContact CG-ND1 3.67Å; H107-H110 PolarHBondContact N-ND1 2.9Å; H107-H110 AromaticContact ND1-CD2 3.95Å; H107-H110 AromaticContact ND1-CE1 3.73Å; H107-H110 AromaticContact ND1-CG 3.75Å; H107-H110 PolarHBondContact ND1-N 2.55Å; H107-H110 AromaticContact ND1-ND1 3.65Å; H107-H110 AromaticContact ND1-NE2 3.96Å; H107-H110 AromaticContact NE2-CD2 3.81Å; H107-H110 AromaticContact NE2-CE1 3.07Å; H107-H110 PolarHBondContact NE2-CE1 2.79Å; H107-H110 AromaticContact NE2-ND1 3.79Å; H107-H110 AromaticContact NE2-NE2 3.11Å; H107-H110 PolarHBondContact NE2-NE2 3.13Å; H107-H110 VanDerWaalsContact NE2-NE2 3.11Å; H107-H110 WeakPolarHBondContact O-CB 3.45Å; H107-H110 PolarHBondContact O-N 3.07Å; H107-M290 HydrophobicContact CB-SD 3.85Å; H107-M290 PolarHBondContact NE2-O 2.86Å; H107-V299 CarbonylContact C-O 3.6Å; H107-V299 VanDerWaalsContact CA-O 3.24Å; H107-V299 WeakPolarHBondContact CA-O 3.48Å; H107-V299 VanDerWaalsContact CB-O 3.28Å; H107-V299 WeakPolarHBondContact CB-O 3.13Å; H107-F300 HydrophobicContact CB-CD1 3.96Å; H107-F300 HydrophobicContact CB-CE1 4.2Å
108	L	95.5	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-51	-38.7	-174.9	-66.6	-177.7	0	0	0	113.7	H110 V111 F280 M290 V299 L301 F346 L378 F381 V382	L108-H110 VanDerWaalsContact C-N 3.3Å; L108-H110 PolarHBondContact O-N 3.01Å; L108-V111 WeakPolarHBondContact O-CB 3.22Å; L108-V111 PolarHBondContact O-N 3.04Å; L108-F280 HydrophobicContact CB-CE1 3.85Å; L108-F280 HydrophobicContact CB-CZ 3.93Å; L108-F280 HydrophobicContact CD1-CZ 4.36Å; L108-M290 HydrophobicContact CB-SD 4.49Å; L108-V299 HydrophobicContact CD1-CB 3.69Å; L108-V299 HydrophobicContact CD1-CG1 3.83Å; L108-V299 HydrophobicContact CD1-CG2 4.37Å; L108-V299 HydrophobicContact CG-CB 3.97Å; L108-V299 HydrophobicContact CG-CG1 4.08Å; L108-V299 PolarHBondContact N-O 2.9Å; L108-L301 HydrophobicContact CD2-CD2 4.01Å; L108-F346 HydrophobicContact CB-CE2 4.09Å; L108-F346 HydrophobicContact CB-CZ 3.87Å; L108-F346 HydrophobicContact CD1-CE2 4.05Å; L108-F346 HydrophobicContact CD1-CZ 4.33Å; L108-F346 HydrophobicContact CD2-CE1 4.33Å; L108-F346 HydrophobicContact CD2-CE2 4.32Å; L108-F346 HydrophobicContact CD2-CZ 3.78Å; L108-F346 HydrophobicContact CG-CE2 4.38Å; L108-F346 HydrophobicContact CG-CZ 4.19Å; L108-L378 HydrophobicContact CD1-CD1 3.78Å; L108-L378 HydrophobicContact CD1-CD2 3.62Å; L108-L378 HydrophobicContact CD1-CG 4.29Å; L108-L378 HydrophobicContact CD2-CD2 4.4Å; L108-F381 HydrophobicContact CD2-CD1 4.23Å; L108-F381 HydrophobicContact CD2-CE1 4.25Å; L108-V382 HydrophobicContact CD2-CG2 4.36Å
109	G	93.4	Very high	95.3	Very high	16 Å²	16	20.6 Å²	20.6	17%	0.165	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-31.9	175.8	0	0	0	0	0	115.3	H107 V111	H107-G109 PolarHBondContact ND1-N 3.28Å; H107-G109 PolarHBondContact O-N 3.12Å; H107-G109 VanDerWaalsContact O-N 3.07Å; G109-V111 PolarHBondContact O-N 2.93Å
110	H	94.6	Very high	95.3	Very high	37 Å²	37	19.4 Å²	19.4	17%	0.171	11%	0.108	C	C	.	.	H	α-helix	trans	-71.2	-21.3	176.7	-61.3	143	0	0	0	112.5	R99 L106 H107 L108 P113 F114	R99-H110 PolarHBondContact NH1-CD2 3.44Å; R99-H110 PolarHBondContact NH1-CE1 3.3Å; R99-H110 PolarHBondContact NH1-NE2 2.94Å; R99-H110 PolarHBondContact NH2-CE1 2.99Å; L106-H110 HydrophobicContact CB-CB 4.15Å; L106-H110 HydrophobicContact CD1-CB 4.42Å; L106-H110 HydrophobicContact CD2-CB 4.01Å; L106-H110 HydrophobicContact CG-CB 4.43Å; H107-H110 AromaticContact CD2-CE1 3.24Å; H107-H110 PolarHBondContact CD2-CE1 3.15Å; H107-H110 AromaticContact CD2-ND1 3.75Å; H107-H110 AromaticContact CD2-NE2 3.8Å; H107-H110 AromaticContact CE1-CD2 3.42Å; H107-H110 PolarHBondContact CE1-CD2 2.77Å; H107-H110 VanDerWaalsContact CE1-CD2 3.42Å; H107-H110 AromaticContact CE1-CE1 3.39Å; H107-H110 PolarHBondContact CE1-CE1 2.63Å; H107-H110 AromaticContact CE1-CG 3.71Å; H107-H110 AromaticContact CE1-ND1 3.72Å; H107-H110 AromaticContact CE1-NE2 3.25Å; H107-H110 PolarHBondContact CE1-NE2 3.15Å; H107-H110 AromaticContact CG-CE1 3.65Å; H107-H110 AromaticContact CG-ND1 3.67Å; H107-H110 PolarHBondContact N-ND1 2.9Å; H107-H110 AromaticContact ND1-CD2 3.95Å; H107-H110 AromaticContact ND1-CE1 3.73Å; H107-H110 AromaticContact ND1-CG 3.75Å; H107-H110 PolarHBondContact ND1-N 2.55Å; H107-H110 AromaticContact ND1-ND1 3.65Å; H107-H110 AromaticContact ND1-NE2 3.96Å; H107-H110 AromaticContact NE2-CD2 3.81Å; H107-H110 AromaticContact NE2-CE1 3.07Å; H107-H110 PolarHBondContact NE2-CE1 2.79Å; H107-H110 AromaticContact NE2-ND1 3.79Å; H107-H110 AromaticContact NE2-NE2 3.11Å; H107-H110 PolarHBondContact NE2-NE2 3.13Å; H107-H110 VanDerWaalsContact NE2-NE2 3.11Å; H107-H110 WeakPolarHBondContact O-CB 3.45Å; H107-H110 PolarHBondContact O-N 3.07Å; L108-H110 VanDerWaalsContact C-N 3.3Å; L108-H110 PolarHBondContact O-N 3.01Å; H110-P113 WeakPolarHBondContact O-CD 3.09Å; H110-F114 WeakPolarHBondContact O-CD2 3.36Å; H110-F114 WeakPolarHBondContact O-CE2 3.11Å
111	V	96.2	Very high	95.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-81.5	-23.5	-171.2	-177.3	0	0	0	0	112	L108 G109 F114 I115 M162 L301 F381	L108-V111 WeakPolarHBondContact O-CB 3.22Å; L108-V111 PolarHBondContact O-N 3.04Å; G109-V111 PolarHBondContact O-N 2.93Å; V111-F114 WeakPolarHBondContact O-CA 3.4Å; V111-F114 PolarHBondContact O-N 2.69Å; V111-I115 HydrophobicContact CG1-CD1 3.78Å; V111-I115 HydrophobicContact CG1-CG1 3.79Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.08Å; V111-M162 HydrophobicContact CG1-CE 3.29Å; V111-M162 HydrophobicContact CG1-SD 3.62Å; V111-L301 HydrophobicContact CG2-CD1 3.7Å; V111-L301 HydrophobicContact CG2-CD2 4.11Å; V111-L301 HydrophobicContact CG2-CG 4.26Å; V111-F381 HydrophobicContact CG1-CE1 4.35Å; V111-F381 HydrophobicContact CG1-CZ 3.85Å
112	V	96.9	Very high	95.3	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.024	12%	0.121	C	C	.	.	H	α-helix	trans	-56.4	-49.3	-176.7	177.7	0	0	0	0	112.7	L68 I73 F74 F114 I115 I116 F280 F345	L68-V112 HydrophobicContact CD1-CG1 4.24Å; I73-V112 HydrophobicContact CG2-CG1 4.19Å; F74-V112 HydrophobicContact CE2-CG1 4.2Å; V112-F114 VanDerWaalsContact C-N 3.32Å; V112-F114 PolarHBondContact O-N 3.27Å; V112-I115 PolarHBondContact O-N 3.03Å; V112-I116 PolarHBondContact O-N 2.81Å; V112-F280 HydrophobicContact CG2-CD2 4Å; V112-F345 HydrophobicContact CG1-CD1 4.17Å; V112-F345 HydrophobicContact CG1-CE1 4.27Å; V112-F345 HydrophobicContact CG2-CD1 3.67Å; V112-F345 HydrophobicContact CG2-CE1 4.09Å
113	P	96.7	Very high	95.7	Very high	19 Å²	19	20.7 Å²	20.7	12%	0.123	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-35.7	173.2	-24	35.5	0	0	0	113.5	H110 I116 N117	H110-P113 WeakPolarHBondContact O-CD 3.09Å; P113-I116 VanDerWaalsContact O-CG2 3.3Å; P113-I116 WeakPolarHBondContact O-CG2 3.43Å; P113-N117 WeakPolarHBondContact O-CB 3.47Å; P113-N117 PolarHBondContact O-N 2.84Å; P113-N117 VanDerWaalsContact O-N 3.12Å; P113-N117 PolarHBondContact O-ND2 3.43Å
114	F	98.3	Very high	95.8	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-70.2	-37.7	179.5	-66	-61.6	0	0	0	112.7	T97 R99 L106 H110 V111 V112 I116 N117 K118 I130 I159 M162 F164	T97-F114 HydrophobicContact CG2-CD1 4.09Å; T97-F114 HydrophobicContact CG2-CE1 3.78Å; R99-F114 HydrophobicContact CB-CZ 4.06Å; L106-F114 HydrophobicContact CD1-CD2 4.36Å; L106-F114 HydrophobicContact CD1-CE2 4.09Å; H110-F114 WeakPolarHBondContact O-CD2 3.36Å; H110-F114 WeakPolarHBondContact O-CE2 3.11Å; V111-F114 WeakPolarHBondContact O-CA 3.4Å; V111-F114 PolarHBondContact O-N 2.69Å; V112-F114 VanDerWaalsContact C-N 3.32Å; V112-F114 PolarHBondContact O-N 3.27Å; F114-I116 PolarHBondContact O-N 3.16Å; F114-N117 PolarHBondContact O-N 3.21Å; F114-K118 WeakPolarHBondContact O-CB 3.48Å; F114-K118 PolarHBondContact O-N 3.1Å; F114-I130 HydrophobicContact CD1-CD1 4.44Å; F114-I130 HydrophobicContact CE1-CD1 4.19Å; F114-I130 HydrophobicContact CE1-CG2 3.97Å; F114-I159 HydrophobicContact CD1-CG2 4.19Å; F114-I159 HydrophobicContact CD2-CG1 4.5Å; F114-I159 HydrophobicContact CE1-CD1 4.04Å; F114-I159 HydrophobicContact CE1-CG1 3.94Å; F114-I159 HydrophobicContact CE1-CG2 3.97Å; F114-I159 HydrophobicContact CE2-CD1 4.28Å; F114-I159 HydrophobicContact CE2-CG1 3.92Å; F114-I159 HydrophobicContact CZ-CD1 3.6Å; F114-I159 HydrophobicContact CZ-CG1 3.61Å; F114-M162 HydrophobicContact CB-CG 4.22Å; F114-F164 HydrophobicContact CB-CE2 4.26Å; F114-F164 HydrophobicContact CB-CZ 4.06Å; F114-F164 HydrophobicContact CD1-CE2 4.06Å; F114-F164 HydrophobicContact CD1-CZ 4.02Å; F114-F164 WeakPolarHBondContact O-CZ 3.17Å
115	I	98	Very high	96	Very high	27 Å²	27	16.4 Å²	16.4	14%	0.138	9%	0.087	C	C	.	.	H	α-helix	trans	-57.7	-50.3	175.6	-71.5	167.1	0	0	0	110.4	H66 L68 V111 V112 N117 K118 W119 M162 F346	H66-I115 VanDerWaalsContact CE1-CG2 3.42Å; H66-I115 WeakPolarHBondContact CE1-CG2 3.22Å; H66-I115 WeakPolarHBondContact NE2-CG2 3.44Å; L68-I115 HydrophobicContact CD1-CB 4.25Å; L68-I115 HydrophobicContact CD1-CG2 3.83Å; V111-I115 HydrophobicContact CG1-CD1 3.78Å; V111-I115 HydrophobicContact CG1-CG1 3.79Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.08Å; V112-I115 PolarHBondContact O-N 3.03Å; I115-N117 PolarHBondContact O-N 3.17Å; I115-K118 PolarHBondContact O-N 3.05Å; I115-W119 PolarHBondContact O-N 3.18Å; I115-M162 HydrophobicContact CG1-CE 3.88Å; I115-F346 HydrophobicContact CD1-CE1 4.13Å
116	I	98	Very high	96.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.4	-37.1	-177.3	-162.6	66.5	0	0	0	112	H66 L68 L69 F74 V112 P113 F114 K118 W119 F120 P248 I275	H66-I116 HydrophobicContact CB-CD1 3.89Å; L68-I116 HydrophobicContact CD1-CB 4.47Å; L69-I116 HydrophobicContact CD1-CD1 4.14Å; L69-I116 HydrophobicContact CG-CD1 4.07Å; F74-I116 HydrophobicContact CD2-CB 4.37Å; F74-I116 HydrophobicContact CD2-CG1 4.26Å; F74-I116 HydrophobicContact CD2-CG2 4.42Å; F74-I116 HydrophobicContact CE1-CG2 4.06Å; F74-I116 HydrophobicContact CE2-CB 3.71Å; F74-I116 HydrophobicContact CE2-CG1 4.08Å; F74-I116 HydrophobicContact CE2-CG2 3.51Å; F74-I116 HydrophobicContact CZ-CB 4.06Å; F74-I116 HydrophobicContact CZ-CG2 3.31Å; V112-I116 PolarHBondContact O-N 2.81Å; P113-I116 VanDerWaalsContact O-CG2 3.3Å; P113-I116 WeakPolarHBondContact O-CG2 3.43Å; F114-I116 PolarHBondContact O-N 3.16Å; I116-K118 VanDerWaalsContact C-N 3.31Å; I116-K118 PolarHBondContact O-N 3.38Å; I116-W119 HydrophobicContact CD1-CE3 4Å; I116-W119 PolarHBondContact O-N 3.22Å; I116-F120 HydrophobicContact CD1-CD2 4.49Å; I116-F120 HydrophobicContact CD1-CE2 4.19Å; I116-F120 HydrophobicContact CG1-CD2 3.87Å; I116-F120 HydrophobicContact CG1-CE2 3.66Å; I116-F120 VanDerWaalsContact O-CD2 3.3Å; I116-F120 WeakPolarHBondContact O-CD2 3.06Å; I116-F120 PolarHBondContact O-N 3.04Å; I116-P248 HydrophobicContact CG2-CB 3.59Å; I116-P248 HydrophobicContact CG2-CG 4.27Å; I116-I275 HydrophobicContact CG1-CD1 4.4Å
117	N	98.5	Very high	96.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-43.4	175.8	-87.3	-78.8	0	0	0	110.6	L95 P113 F114 I115 W119 F120 Q121 L128 F164 P248	L95-N117 WeakPolarHBondContact CD1-O 3.5Å; P113-N117 WeakPolarHBondContact O-CB 3.47Å; P113-N117 PolarHBondContact O-N 2.84Å; P113-N117 VanDerWaalsContact O-N 3.12Å; P113-N117 PolarHBondContact O-ND2 3.43Å; F114-N117 PolarHBondContact O-N 3.21Å; I115-N117 PolarHBondContact O-N 3.17Å; N117-W119 VanDerWaalsContact C-N 3.33Å; N117-W119 PolarHBondContact O-N 3.18Å; N117-F120 PolarHBondContact O-N 3.35Å; N117-Q121 WeakPolarHBondContact O-CB 3.29Å; N117-Q121 PolarHBondContact O-N 3.36Å; N117-L128 HydrophobicContact CB-CD1 4.43Å; N117-L128 HydrophobicContact CB-CD2 4.19Å; N117-F164 HydrophobicContact CB-CE1 4.15Å; N117-F164 HydrophobicContact CB-CZ 4.35Å; N117-P248 WeakPolarHBondContact ND2-CB 3.16Å; N117-P248 WeakPolarHBondContact OD1-CG 3.4Å
118	K	98.1	Very high	96.3	Very high	48 Å²	48	15.8 Å²	15.8	21%	0.209	8%	0.083	C	C	.	.	H	α-helix	trans	-61.1	-43.2	175.4	176.5	162.9	170.8	47.1	0	111.4	F114 I115 I116 Q121 D122 M162 G163 F164	F114-K118 WeakPolarHBondContact O-CB 3.48Å; F114-K118 PolarHBondContact O-N 3.1Å; I115-K118 PolarHBondContact O-N 3.05Å; I116-K118 VanDerWaalsContact C-N 3.31Å; I116-K118 PolarHBondContact O-N 3.38Å; K118-Q121 PolarHBondContact O-N 2.94Å; K118-D122 IonicContact NZ-OD1 3.2Å; K118-D122 PolarHBondContact NZ-OD1 3.2Å; K118-D122 IonicContact NZ-OD2 3.9Å; K118-D122 PolarHBondContact NZ-OD2 3.39Å; K118-D122 WeakPolarHBondContact O-CB 3.14Å; K118-D122 VanDerWaalsContact O-CG 3.27Å; K118-D122 PolarHBondContact O-N 3.48Å; K118-M162 WeakPolarHBondContact CD-O 3.33Å; K118-M162 VanDerWaalsContact CE-O 3.29Å; K118-M162 WeakPolarHBondContact CE-O 3.47Å; K118-G163 VanDerWaalsContact CE-O 3.28Å; K118-G163 WeakPolarHBondContact CE-O 3.22Å; K118-G163 PolarHBondContact NZ-O 2.76Å; K118-F164 HydrophobicContact CB-CD1 4.16Å; K118-F164 HydrophobicContact CB-CE1 3.65Å; K118-F164 HydrophobicContact CB-CZ 4.11Å
119	W	97.6	Very high	96.4	Very high	28 Å²	28	15.8 Å²	15.8	11%	0.106	8%	0.083	C	C	.	.	H	α-helix	trans	-60.6	-47.2	176.1	178.9	84	0	0	0	112.2	L65 H66 L69 I115 I116 N117 Q121 D122 V123 F124	L65-W119 HydrophobicContact CD2-CH2 4.02Å; L65-W119 HydrophobicContact CD2-CZ2 4.31Å; H66-W119 HydrophobicContact CB-CD2 3.7Å; H66-W119 HydrophobicContact CB-CE3 4.23Å; H66-W119 HydrophobicContact CB-CG 3.84Å; H66-W119 HydrophobicContact CB-CZ2 4.29Å; H66-W119 AromaticContact CD2-CD1 3.5Å; H66-W119 VanDerWaalsContact CD2-CD1 3.5Å; H66-W119 AromaticContact CD2-CG 3.66Å; L69-W119 HydrophobicContact CD1-CE3 4.34Å; L69-W119 HydrophobicContact CD1-CH2 3.94Å; L69-W119 HydrophobicContact CD1-CZ3 3.66Å; I115-W119 PolarHBondContact O-N 3.18Å; I116-W119 HydrophobicContact CD1-CE3 4Å; I116-W119 PolarHBondContact O-N 3.22Å; N117-W119 VanDerWaalsContact C-N 3.33Å; N117-W119 PolarHBondContact O-N 3.18Å; W119-Q121 PolarHBondContact O-N 3.29Å; W119-D122 PolarHBondContact O-N 3.4Å; W119-V123 HydrophobicContact CD2-CG2 4Å; W119-V123 HydrophobicContact CG-CG2 4.17Å; W119-V123 HydrophobicContact CZ2-CG1 4.43Å; W119-V123 HydrophobicContact CZ2-CG2 4.01Å; W119-V123 VanDerWaalsContact O-CB 3.28Å; W119-V123 WeakPolarHBondContact O-CB 3.44Å; W119-V123 VanDerWaalsContact O-CG2 3.22Å; W119-V123 WeakPolarHBondContact O-CG2 3.23Å; W119-V123 PolarHBondContact O-N 2.85Å; W119-F124 HydrophobicContact CH2-CE2 4.3Å; W119-F124 HydrophobicContact CZ3-CE2 4.33Å
120	F	96.7	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.2	-43.2	175.9	-83.6	-72	0	0	0	112.3	L69 F80 L95 I116 N117 D122 F124 L246 I275	L69-F120 HydrophobicContact CD1-CZ 4.36Å; F80-F120 HydrophobicContact CE2-CE1 4.32Å; F80-F120 HydrophobicContact CE2-CZ 4.06Å; F80-F120 HydrophobicContact CZ-CE1 4.26Å; F80-F120 AromaticContact CZ-CZ 3.88Å; F80-F120 HydrophobicContact CZ-CZ 3.88Å; L95-F120 HydrophobicContact CD1-CB 3.72Å; L95-F120 HydrophobicContact CD2-CB 4.01Å; L95-F120 HydrophobicContact CD2-CG 4.35Å; L95-F120 HydrophobicContact CG-CB 4.45Å; I116-F120 HydrophobicContact CD1-CD2 4.49Å; I116-F120 HydrophobicContact CD1-CE2 4.19Å; I116-F120 HydrophobicContact CG1-CD2 3.87Å; I116-F120 HydrophobicContact CG1-CE2 3.66Å; I116-F120 VanDerWaalsContact O-CD2 3.3Å; I116-F120 WeakPolarHBondContact O-CD2 3.06Å; I116-F120 PolarHBondContact O-N 3.04Å; N117-F120 PolarHBondContact O-N 3.35Å; F120-D122 PolarHBondContact O-N 2.75Å; F120-F124 AromaticContact CD1-CD2 3.84Å; F120-F124 HydrophobicContact CD1-CD2 3.84Å; F120-F124 AromaticContact CD1-CE2 3.93Å; F120-F124 HydrophobicContact CD1-CE2 3.93Å; F120-F124 HydrophobicContact CE1-CD2 4.5Å; F120-F124 HydrophobicContact CE1-CE2 4.17Å; F120-F124 PolarHBondContact O-N 3.27Å; F120-L246 HydrophobicContact CD1-CD2 4.47Å; F120-L246 HydrophobicContact CD2-CD2 4.45Å; F120-L246 HydrophobicContact CE1-CD2 4.27Å; F120-L246 HydrophobicContact CE2-CD2 4.26Å; F120-L246 HydrophobicContact CZ-CD2 4.17Å; F120-I275 HydrophobicContact CE2-CD1 3.55Å; F120-I275 HydrophobicContact CZ-CD1 4.1Å
121	Q	97	Very high	96.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.7	-45.7	175.6	175.1	174.2	94.3	0	0	111.5	L95 N117 K118 W119 D125 I126 K168 T169	L95-Q121 HydrophobicContact CD1-CB 4.34Å; N117-Q121 WeakPolarHBondContact O-CB 3.29Å; N117-Q121 PolarHBondContact O-N 3.36Å; K118-Q121 PolarHBondContact O-N 2.94Å; W119-Q121 PolarHBondContact O-N 3.29Å; Q121-D125 VanDerWaalsContact O-CA 3.24Å; Q121-D125 WeakPolarHBondContact O-CA 3.03Å; Q121-D125 PolarHBondContact O-N 2.97Å; Q121-I126 WeakPolarHBondContact CG-O 3.23Å; Q121-I126 PolarHBondContact O-N 3.01Å; Q121-K168 HydrophobicContact CG-CD 4.26Å; Q121-K168 PolarHBondContact NE2-O 3.37Å; Q121-T169 PolarHBondContact NE2-OG1 3.3Å
122	D	95.6	Very high	97	Very high	73 Å²	73	13.3 Å²	13.3	39%	0.39	7%	0.067	S	C	.	.	H	α-helix	trans	-74.5	-33.5	-177	-71.2	-18.6	0	0	0	113.3	K118 W119 F120	K118-D122 IonicContact NZ-OD1 3.2Å; K118-D122 PolarHBondContact NZ-OD1 3.2Å; K118-D122 IonicContact NZ-OD2 3.9Å; K118-D122 PolarHBondContact NZ-OD2 3.39Å; K118-D122 WeakPolarHBondContact O-CB 3.14Å; K118-D122 VanDerWaalsContact O-CG 3.27Å; K118-D122 PolarHBondContact O-N 3.48Å; W119-D122 PolarHBondContact O-N 3.4Å; F120-D122 PolarHBondContact O-N 2.75Å
123	V	95.3	Very high	97.1	Very high	15 Å²	15	13.4 Å²	13.4	9%	0.091	7%	0.068	C	C	.	.	H	α-helix	trans	-81.3	-39.8	-176.5	170.5	0	0	0	0	112	C61 P62 K63 W119	C61-V123 WeakPolarHBondContact SG-CG1 3.43Å; P62-V123 HydrophobicContact CG-CG1 3.83Å; P62-V123 WeakPolarHBondContact CG-O 3.43Å; K63-V123 HydrophobicContact CB-CG2 4.45Å; K63-V123 HydrophobicContact CD-CG2 4.22Å; W119-V123 HydrophobicContact CD2-CG2 4Å; W119-V123 HydrophobicContact CG-CG2 4.17Å; W119-V123 HydrophobicContact CZ2-CG1 4.43Å; W119-V123 HydrophobicContact CZ2-CG2 4.01Å; W119-V123 VanDerWaalsContact O-CB 3.28Å; W119-V123 WeakPolarHBondContact O-CB 3.44Å; W119-V123 VanDerWaalsContact O-CG2 3.22Å; W119-V123 WeakPolarHBondContact O-CG2 3.23Å; W119-V123 PolarHBondContact O-N 2.85Å
124	F	93.7	Very high	97.2	Very high	16 Å²	16	12.5 Å²	12.5	7%	0.07	6%	0.062	C	C	.	.	H	α-helix	trans	-115.5	3.3	-171.9	-62.3	-73.9	0	0	0	114	L57 C61 I87 W119 F120 I126	L57-F124 HydrophobicContact CD1-CE2 4.31Å; L57-F124 HydrophobicContact CD1-CZ 3.92Å; C61-F124 HydrophobicContact CB-CZ 4.29Å; I87-F124 HydrophobicContact CD1-CD1 4.12Å; I87-F124 HydrophobicContact CD1-CD2 4.37Å; I87-F124 HydrophobicContact CD1-CE1 4.01Å; I87-F124 HydrophobicContact CD1-CE2 4.24Å; I87-F124 HydrophobicContact CD1-CG 4.3Å; I87-F124 HydrophobicContact CD1-CZ 4.06Å; I87-F124 HydrophobicContact CG1-CD1 4.41Å; I87-F124 HydrophobicContact CG2-CD1 3.75Å; I87-F124 HydrophobicContact CG2-CE1 3.69Å; W119-F124 HydrophobicContact CH2-CE2 4.3Å; W119-F124 HydrophobicContact CZ3-CE2 4.33Å; F120-F124 AromaticContact CD1-CD2 3.84Å; F120-F124 HydrophobicContact CD1-CD2 3.84Å; F120-F124 AromaticContact CD1-CE2 3.93Å; F120-F124 HydrophobicContact CD1-CE2 3.93Å; F120-F124 HydrophobicContact CE1-CD2 4.5Å; F120-F124 HydrophobicContact CE1-CE2 4.17Å; F120-F124 PolarHBondContact O-N 3.27Å; F124-I126 VanDerWaalsContact C-N 3.33Å; F124-I126 HydrophobicContact CB-CD1 3.68Å; F124-I126 HydrophobicContact CB-CG1 3.52Å; F124-I126 VanDerWaalsContact O-CD1 3.27Å; F124-I126 WeakPolarHBondContact O-CD1 3.31Å; F124-I126 PolarHBondContact O-N 3.29Å
125	D	93.5	Very high	97.2	Very high	45 Å²	45	13 Å²	13	24%	0.241	7%	0.065	C	C	.	.			trans	63.5	32.8	179.4	-153.7	44.7	0	0	0	113.6	Q121 K168 R407 P409	Q121-D125 VanDerWaalsContact O-CA 3.24Å; Q121-D125 WeakPolarHBondContact O-CA 3.03Å; Q121-D125 PolarHBondContact O-N 2.97Å; D125-K168 WeakPolarHBondContact OD1-CE 3.38Å; D125-K168 IonicContact OD1-NZ 2.78Å; D125-K168 PolarHBondContact OD1-NZ 3.37Å; D125-R407 IonicContact OD2-CZ 2.99Å; D125-R407 IonicContact OD2-NE 3.8Å; D125-R407 PolarHBondContact OD2-NE 3.06Å; D125-R407 IonicContact OD2-NH2 3.36Å; D125-P409 HydrophobicContact CB-CB 4.37Å; D125-P409 WeakPolarHBondContact O-CB 3.36Å; D125-P409 WeakPolarHBondContact O-CD 3.28Å
126	I	94.7	Very high	97.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.			trans	-88.1	135.8	-169.7	-49.5	-58.6	0	0	0	112.3	F93 L95 Q121 F124 P409 F410	F93-I126 HydrophobicContact CD1-CD1 4.15Å; F93-I126 HydrophobicContact CD2-CG2 4.02Å; F93-I126 HydrophobicContact CE1-CD1 3.39Å; F93-I126 HydrophobicContact CE1-CG1 4.17Å; F93-I126 HydrophobicContact CE2-CD1 4.05Å; F93-I126 HydrophobicContact CE2-CG1 3.96Å; F93-I126 HydrophobicContact CE2-CG2 3.79Å; F93-I126 HydrophobicContact CZ-CD1 3.34Å; F93-I126 HydrophobicContact CZ-CG1 3.58Å; F93-I126 HydrophobicContact CZ-CG2 4.2Å; F93-I126 WeakPolarHBondContact O-CG2 3.17Å; L95-I126 HydrophobicContact CD1-CB 4.3Å; L95-I126 HydrophobicContact CD1-CG2 4.31Å; L95-I126 HydrophobicContact CG-CB 4.4Å; L95-I126 HydrophobicContact CG-CG2 3.88Å; Q121-I126 WeakPolarHBondContact CG-O 3.23Å; Q121-I126 PolarHBondContact O-N 3.01Å; F124-I126 VanDerWaalsContact C-N 3.33Å; F124-I126 HydrophobicContact CB-CD1 3.68Å; F124-I126 HydrophobicContact CB-CG1 3.52Å; F124-I126 VanDerWaalsContact O-CD1 3.27Å; F124-I126 WeakPolarHBondContact O-CD1 3.31Å; F124-I126 PolarHBondContact O-N 3.29Å; I126-P409 HydrophobicContact CD1-CB 4.22Å; I126-P409 HydrophobicContact CD1-CG 3.68Å; I126-F410 HydrophobicContact CD1-CE2 4.18Å; I126-F410 HydrophobicContact CD1-CZ 4.47Å
127	P	95.7	Very high	97.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.			trans	-65.6	149.8	171	30.8	-41.3	0	0	0	112.1	F94 L95 K168 F234 L406 L408	F94-P127 HydrophobicContact CB-CB 4.44Å; F94-P127 HydrophobicContact CB-CG 3.68Å; L95-P127 PolarHBondContact N-O 3.42Å; P127-K168 CarbonylContact C-O 3.53Å; P127-K168 VanDerWaalsContact CA-O 3.32Å; P127-K168 WeakPolarHBondContact CA-O 3.44Å; P127-F234 HydrophobicContact CB-CE1 4.37Å; P127-F234 HydrophobicContact CG-CE1 4.2Å; P127-L406 HydrophobicContact CB-CB 4.03Å; P127-L406 HydrophobicContact CB-CD1 3.64Å; P127-L408 HydrophobicContact CB-CD2 4.13Å; P127-L408 HydrophobicContact CG-CD2 3.64Å
128	L	98	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.8	-178.6	172	62	0	0	0	110.3	L95 T97 N117 I130 F164 K168 T169 F170	L95-L128 HydrophobicContact CB-CB 4.19Å; L95-L128 HydrophobicContact CB-CD1 3.51Å; L95-L128 HydrophobicContact CB-CG 4.42Å; L95-L128 WeakPolarHBondContact O-CA 3.42Å; T97-L128 HydrophobicContact CG2-CD1 4.34Å; N117-L128 HydrophobicContact CB-CD1 4.43Å; N117-L128 HydrophobicContact CB-CD2 4.19Å; L128-I130 HydrophobicContact CD1-CG1 4.07Å; L128-I130 HydrophobicContact CD2-CD1 3.75Å; L128-I130 HydrophobicContact CD2-CG1 3.92Å; L128-I130 HydrophobicContact CG-CD1 4.14Å; L128-I130 HydrophobicContact CG-CG1 3.74Å; L128-F164 HydrophobicContact CD2-CD1 3.5Å; L128-F164 VanDerWaalsContact CD2-CD1 3.5Å; L128-F164 HydrophobicContact CD2-CE1 3.24Å; L128-F164 HydrophobicContact CD2-CG 4.32Å; L128-F164 HydrophobicContact CD2-CZ 3.91Å; L128-K168 PolarHBondContact N-O 3.38Å; L128-T169 HydrophobicContact CB-CG2 4.41Å; L128-T169 HydrophobicContact CD2-CG2 4.14Å; L128-T169 HydrophobicContact CG-CG2 4.27Å; L128-T169 WeakPolarHBondContact O-CA 3.28Å; L128-F170 PolarHBondContact O-N 3.19Å
129	V	98.5	Very high	97	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.5	165.3	-57.8	0	0	0	0	109.9	F94 L95 Y96 T97 F170 F172 F230 V233 F234	F94-V129 HydrophobicContact CD2-CG1 4.45Å; F94-V129 HydrophobicContact CD2-CG2 3.86Å; F94-V129 HydrophobicContact CE2-CG2 3.65Å; L95-V129 PolarHBondContact O-N 3.25Å; Y96-V129 WeakPolarHBondContact CA-O 3.48Å; Y96-V129 HydrophobicContact CD2-CG2 3.94Å; Y96-V129 HydrophobicContact CG-CG2 4.15Å; T97-V129 PolarHBondContact N-O 3.4Å; V129-F170 CarbonylContact C-O 3.51Å; V129-F170 VanDerWaalsContact CA-O 3.3Å; V129-F170 WeakPolarHBondContact CA-O 3.32Å; V129-F170 HydrophobicContact CG1-CB 4.46Å; V129-F170 HydrophobicContact CG1-CD1 4.42Å; V129-F172 HydrophobicContact CB-CE1 4.46Å; V129-F230 HydrophobicContact CB-CZ 4.32Å; V129-F230 HydrophobicContact CG1-CD2 4.45Å; V129-F230 HydrophobicContact CG1-CE2 4.37Å; V129-F230 HydrophobicContact CG1-CZ 4.46Å; V129-F230 HydrophobicContact CG2-CE2 4.1Å; V129-F230 HydrophobicContact CG2-CZ 4.15Å; V129-V233 HydrophobicContact CG1-CG1 4.24Å; V129-F234 HydrophobicContact CG1-CE2 4.44Å; V129-F234 HydrophobicContact CG1-CZ 4.24Å
130	I	98.8	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	113	-179.2	-52.1	-178.7	0	0	0	109.4	T97 F114 L128 I159 F164 T169 F170 I171 F172	T97-I130 HydrophobicContact CG2-CG1 4.28Å; T97-I130 HydrophobicContact CG2-CG2 4.44Å; T97-I130 VanDerWaalsContact O-CA 3.32Å; T97-I130 WeakPolarHBondContact O-CA 3.24Å; F114-I130 HydrophobicContact CD1-CD1 4.44Å; F114-I130 HydrophobicContact CE1-CD1 4.19Å; F114-I130 HydrophobicContact CE1-CG2 3.97Å; L128-I130 HydrophobicContact CD1-CG1 4.07Å; L128-I130 HydrophobicContact CD2-CD1 3.75Å; L128-I130 HydrophobicContact CD2-CG1 3.92Å; L128-I130 HydrophobicContact CG-CD1 4.14Å; L128-I130 HydrophobicContact CG-CG1 3.74Å; I130-I159 HydrophobicContact CD1-CG2 3.46Å; I130-I159 VanDerWaalsContact CD1-CG2 3.46Å; I130-I159 HydrophobicContact CG2-CD1 4.2Å; I130-F164 HydrophobicContact CD1-CD2 4.41Å; I130-F164 HydrophobicContact CD1-CE2 4.2Å; I130-F164 HydrophobicContact CD1-CZ 4.46Å; I130-T169 HydrophobicContact CD1-CG2 4.01Å; I130-T169 HydrophobicContact CG1-CG2 4.4Å; I130-F170 PolarHBondContact N-O 2.88Å; I130-I171 HydrophobicContact CB-CB 4.47Å; I130-I171 HydrophobicContact CB-CG1 4.15Å; I130-I171 HydrophobicContact CB-CG2 4.32Å; I130-I171 HydrophobicContact CD1-CD1 4.38Å; I130-I171 HydrophobicContact CD1-CG1 4.12Å; I130-I171 HydrophobicContact CG1-CG1 4.4Å; I130-I171 HydrophobicContact CG2-CG2 4.5Å; I130-I171 WeakPolarHBondContact O-CA 3.32Å; I130-F172 WeakPolarHBondContact O-CD1 3.46Å; I130-F172 PolarHBondContact O-N 3.26Å
131	Q	98.8	Very high	96.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129	177.6	-174.3	177.1	39	0	0	111.1	Y96 T97 G98 R99 T133 F172 N174 I220	Y96-Q131 HydrophobicContact CE2-CB 3.82Å; Y96-Q131 PolarHBondContact OH-OE1 3.47Å; T97-Q131 PolarHBondContact O-N 3.34Å; G98-Q131 CarbonylContact C-O 3.6Å; G98-Q131 WeakPolarHBondContact CA-O 3.5Å; R99-Q131 PolarHBondContact N-O 3.46Å; Q131-T133 HydrophobicContact CG-CG2 3.74Å; Q131-F172 HydrophobicContact CB-CE1 3.9Å; Q131-F172 HydrophobicContact CB-CE2 4.08Å; Q131-F172 HydrophobicContact CB-CZ 3.48Å; Q131-F172 VanDerWaalsContact CB-CZ 3.48Å; Q131-F172 HydrophobicContact CG-CE1 4.44Å; Q131-F172 HydrophobicContact CG-CE2 3.7Å; Q131-F172 HydrophobicContact CG-CZ 3.59Å; Q131-N174 VanDerWaalsContact CG-OD1 3.29Å; Q131-N174 WeakPolarHBondContact CG-OD1 3.39Å; Q131-N174 PolarHBondContact NE2-ND2 3.22Å; Q131-N174 VanDerWaalsContact NE2-ND2 3.15Å; Q131-N174 PolarHBondContact NE2-OD1 3.48Å; Q131-I220 PolarHBondContact NE2-O 2.74Å
132	L	98.8	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.5	168.4	-58.4	179.1	0	0	0	109.3	R99 D134 T152 A156 I159 I171 F172 N174	R99-L132 HydrophobicContact CB-CD2 3.89Å; R99-L132 HydrophobicContact CG-CD2 4.28Å; R99-L132 WeakPolarHBondContact O-CA 3.33Å; L132-D134 VanDerWaalsContact C-N 3.27Å; L132-D134 PolarHBondContact O-N 3.32Å; L132-T152 HydrophobicContact CB-CG2 3.99Å; L132-T152 HydrophobicContact CD1-CG2 3.58Å; L132-T152 HydrophobicContact CG-CG2 4.42Å; L132-A156 HydrophobicContact CD1-CB 3.85Å; L132-I159 HydrophobicContact CD2-CD1 3.7Å; L132-I171 HydrophobicContact CD1-CG2 3.62Å; L132-I171 HydrophobicContact CG-CG2 3.93Å; L132-F172 WeakPolarHBondContact CB-O 3.5Å; L132-F172 PolarHBondContact N-O 3.41Å; L132-N174 PolarHBondContact O-N 3.44Å; L132-N174 VanDerWaalsContact O-N 3.07Å
133	T	98.6	Very high	96.6	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.031	15%	0.152	C	C	.	.			trans	-85	61.4	-172.1	58.8	0	0	0	0	111.9	R99 G100 Q131 D135 E136 K137 F217	R99-T133 PolarHBondContact O-N 2.88Å; R99-T133 VanDerWaalsContact O-N 3.13Å; G100-T133 WeakPolarHBondContact CA-OG1 3.35Å; Q131-T133 HydrophobicContact CG-CG2 3.74Å; T133-D135 VanDerWaalsContact C-N 3.33Å; T133-E136 WeakPolarHBondContact CB-OE2 3.42Å; T133-E136 WeakPolarHBondContact O-CB 3.43Å; T133-E136 PolarHBondContact O-N 3.48Å; T133-E136 PolarHBondContact OG1-OE2 2.72Å; T133-K137 PolarHBondContact O-N 3.4Å; T133-K137 VanDerWaalsContact O-N 3.15Å; T133-F217 HydrophobicContact CG2-CE2 4.27Å; T133-F217 HydrophobicContact CG2-CZ 3.83Å
134	D	98.3	Very high	96.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-35.3	176.4	33.5	26.4	0	0	0	113.6	P101 L132 K137 F138 V148 T152 S173 N174 F175	P101-D134 HydrophobicContact CG-CB 4.3Å; L132-D134 VanDerWaalsContact C-N 3.27Å; L132-D134 PolarHBondContact O-N 3.32Å; D134-K137 PolarHBondContact O-N 3.3Å; D134-F138 WeakPolarHBondContact O-CB 3.32Å; D134-F138 PolarHBondContact O-N 3.48Å; D134-V148 HydrophobicContact CB-CB 3.93Å; D134-V148 HydrophobicContact CB-CG2 4.07Å; D134-T152 VanDerWaalsContact CB-OG1 3.3Å; D134-T152 WeakPolarHBondContact CB-OG1 3.41Å; D134-T152 PolarHBondContact OD2-OG1 2.99Å; D134-S173 VanDerWaalsContact CG-OG 3.28Å; D134-S173 PolarHBondContact OD1-OG 3.44Å; D134-S173 VanDerWaalsContact OD2-CB 3.3Å; D134-S173 WeakPolarHBondContact OD2-CB 3.41Å; D134-S173 PolarHBondContact OD2-OG 3.16Å; D134-N174 PolarHBondContact OD1-N 2.87Å; D134-N174 VanDerWaalsContact OD1-N 3.12Å; D134-F175 HydrophobicContact CB-CD2 3.85Å; D134-F175 HydrophobicContact CB-CE2 4.23Å; D134-F175 PolarHBondContact OD1-N 3.24Å; D134-F175 VanDerWaalsContact OD1-N 3.1Å
135	D	98.3	Very high	96.8	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.07	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-42.4	170.5	62.2	-16	0	0	0	112.6	T133 K137 F138 L139 N174 F175 I220	T133-D135 VanDerWaalsContact C-N 3.33Å; D135-K137 PolarHBondContact O-N 3.07Å; D135-F138 PolarHBondContact O-N 2.87Å; D135-L139 WeakPolarHBondContact O-CB 3.28Å; D135-L139 WeakPolarHBondContact O-CG 3.33Å; D135-L139 PolarHBondContact O-N 2.85Å; D135-N174 HydrophobicContact CB-CB 4.22Å; D135-N174 VanDerWaalsContact CG-ND2 3.33Å; D135-N174 VanDerWaalsContact OD1-CB 3.28Å; D135-N174 WeakPolarHBondContact OD1-CB 3.43Å; D135-N174 PolarHBondContact OD1-ND2 3.35Å; D135-N174 WeakPolarHBondContact OD2-CB 3.43Å; D135-N174 PolarHBondContact OD2-ND2 3.19Å; D135-F175 VanDerWaalsContact CA-CE2 3.47Å; D135-F175 HydrophobicContact CB-CD1 4.36Å; D135-F175 HydrophobicContact CB-CD2 4.4Å; D135-F175 HydrophobicContact CB-CE1 4.02Å; D135-F175 HydrophobicContact CB-CE2 4.05Å; D135-F175 HydrophobicContact CB-CZ 3.86Å; D135-I220 WeakPolarHBondContact OD2-CD1 3.37Å
136	E	98.2	Very high	97	Very high	16 Å²	16	38.7 Å²	38.7	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-48.2	171.5	-169.6	-152.1	141.1	0	0	110.6	T133 F138 L139 W140 F217	T133-E136 WeakPolarHBondContact CB-OE2 3.42Å; T133-E136 WeakPolarHBondContact O-CB 3.43Å; T133-E136 PolarHBondContact O-N 3.48Å; T133-E136 PolarHBondContact OG1-OE2 2.72Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.41Å; E136-L139 PolarHBondContact O-N 3.01Å; E136-L139 VanDerWaalsContact O-N 3.1Å; E136-W140 HydrophobicContact CB-CE3 4.44Å; E136-W140 HydrophobicContact CG-CD2 4.33Å; E136-W140 HydrophobicContact CG-CE3 3.67Å; E136-W140 HydrophobicContact CG-CZ3 3.83Å; E136-W140 VanDerWaalsContact O-CE3 3.27Å; E136-W140 PolarHBondContact O-N 2.98Å; E136-F217 HydrophobicContact CB-CD2 4.06Å; E136-F217 HydrophobicContact CB-CE1 4.02Å; E136-F217 HydrophobicContact CB-CE2 3.51Å; E136-F217 HydrophobicContact CB-CZ 3.49Å; E136-F217 VanDerWaalsContact CB-CZ 3.49Å; E136-F217 HydrophobicContact CG-CD1 4.07Å; E136-F217 HydrophobicContact CG-CD2 4.46Å; E136-F217 HydrophobicContact CG-CE1 3.62Å; E136-F217 HydrophobicContact CG-CE2 4.06Å; E136-F217 HydrophobicContact CG-CG 4.48Å; E136-F217 HydrophobicContact CG-CZ 3.62Å
137	K	97.1	Very high	97.1	Very high	31 Å²	31	43.2 Å²	43.2	14%	0.135	22%	0.222	C	C	.	.	H	α-helix	trans	-67.2	-34.7	-177.8	-62.3	-51.3	174.1	-151.6	0	112	G100 P101 T133 D134 D135 K141 V148	G100-K137 VanDerWaalsContact O-CE 3.3Å; G100-K137 WeakPolarHBondContact O-CE 3.3Å; P101-K137 HydrophobicContact CG-CG 4.46Å; T133-K137 PolarHBondContact O-N 3.4Å; T133-K137 VanDerWaalsContact O-N 3.15Å; D134-K137 PolarHBondContact O-N 3.3Å; D135-K137 PolarHBondContact O-N 3.07Å; K137-K141 WeakPolarHBondContact O-CA 3.32Å; K137-K141 VanDerWaalsContact O-CB 3.23Å; K137-K141 WeakPolarHBondContact O-CB 3.32Å; K137-K141 PolarHBondContact O-N 2.81Å; K137-V148 HydrophobicContact CB-CG1 4.14Å
138	F	97.4	Very high	97.2	Very high	85 Å²	85	43.2 Å²	43.2	37%	0.373	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-41.5	169.5	174.7	-98.8	0	0	0	112.5	D134 D135 E136 K141 L143 I145 V148 F175	D134-F138 WeakPolarHBondContact O-CB 3.32Å; D134-F138 PolarHBondContact O-N 3.48Å; D135-F138 PolarHBondContact O-N 2.87Å; E136-F138 VanDerWaalsContact C-N 3.3Å; E136-F138 PolarHBondContact O-N 3.41Å; F138-K141 VanDerWaalsContact O-O 3.04Å; F138-L143 VanDerWaalsContact CD2-O 3.25Å; F138-L143 WeakPolarHBondContact CD2-O 3.42Å; F138-I145 HydrophobicContact CD2-CG1 4.18Å; F138-I145 HydrophobicContact CE2-CG1 4.02Å; F138-V148 HydrophobicContact CB-CG1 4.32Å; F138-V148 HydrophobicContact CB-CG2 4.41Å; F138-F175 HydrophobicContact CB-CE2 4.03Å; F138-F175 HydrophobicContact CB-CZ 3.97Å; F138-F175 HydrophobicContact CD1-CZ 4.1Å; F138-F175 HydrophobicContact CG-CE2 4.5Å; F138-F175 HydrophobicContact CG-CZ 4.06Å
139	L	97.4	Very high	97.2	Very high	45 Å²	45	44.9 Å²	44.9	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-74.5	-30.3	-178.5	-72.3	169.9	0	0	0	114	D135 E136 K214 F217	D135-L139 WeakPolarHBondContact O-CB 3.28Å; D135-L139 WeakPolarHBondContact O-CG 3.33Å; D135-L139 PolarHBondContact O-N 2.85Å; E136-L139 PolarHBondContact O-N 3.01Å; E136-L139 VanDerWaalsContact O-N 3.1Å; L139-K214 HydrophobicContact CB-CG 4.34Å; L139-K214 VanDerWaalsContact O-CE 3.29Å; L139-K214 WeakPolarHBondContact O-CE 3.33Å; L139-F217 HydrophobicContact CD1-CB 4.49Å
140	W	95.3	Very high	97.1	Very high	49 Å²	49	49.2 Å²	49.2	19%	0.186	25%	0.254	C	S	.	.	H	α-helix	trans	-100.6	-18.8	-177.3	-91	-101.1	0	0	0	114.8	W25 E136 F206 K214 F217	W25-W140 AromaticContact CD1-NE1 3.94Å; W25-W140 AromaticContact CE2-NE1 3.53Å; W25-W140 AromaticContact CZ2-CE2 3.96Å; W25-W140 AromaticContact CZ2-CZ2 3.64Å; W25-W140 HydrophobicContact CZ2-CZ2 3.64Å; W25-W140 AromaticContact CZ2-NE1 3.84Å; W25-W140 AromaticContact NE1-CD1 3.64Å; W25-W140 AromaticContact NE1-CE2 3.67Å; W25-W140 AromaticContact NE1-NE1 3.15Å; W25-W140 VanDerWaalsContact NE1-NE1 3.15Å; E136-W140 HydrophobicContact CB-CE3 4.44Å; E136-W140 HydrophobicContact CG-CD2 4.33Å; E136-W140 HydrophobicContact CG-CE3 3.67Å; E136-W140 HydrophobicContact CG-CZ3 3.83Å; E136-W140 VanDerWaalsContact O-CE3 3.27Å; E136-W140 PolarHBondContact O-N 2.98Å; W140-F206 HydrophobicContact CH2-CE1 4.48Å; W140-F206 HydrophobicContact CH2-CZ 4.24Å; W140-F206 AromaticContact CZ2-CE1 3.73Å; W140-F206 HydrophobicContact CZ2-CE1 3.73Å; W140-F206 AromaticContact CZ2-CZ 3.85Å; W140-F206 HydrophobicContact CZ2-CZ 3.85Å; W140-K214 HydrophobicContact CD2-CD 4.19Å; W140-K214 HydrophobicContact CD2-CG 3.85Å; W140-K214 HydrophobicContact CE3-CG 3.82Å; W140-K214 VanDerWaalsContact CH2-CA 3.49Å; W140-K214 HydrophobicContact CH2-CB 3.7Å; W140-K214 HydrophobicContact CH2-CG 3.82Å; W140-K214 WeakPolarHBondContact CH2-O 3.17Å; W140-K214 HydrophobicContact CZ2-CB 3.82Å; W140-K214 HydrophobicContact CZ2-CD 4.23Å; W140-K214 HydrophobicContact CZ2-CG 3.81Å; W140-K214 HydrophobicContact CZ3-CB 4.1Å; W140-K214 HydrophobicContact CZ3-CG 3.81Å; W140-F217 HydrophobicContact CH2-CB 3.79Å; W140-F217 AromaticContact CH2-CD1 3.78Å; W140-F217 HydrophobicContact CH2-CD1 3.78Å; W140-F217 AromaticContact CH2-CG 3.99Å; W140-F217 HydrophobicContact CH2-CG 3.99Å; W140-F217 HydrophobicContact CZ3-CB 3.78Å; W140-F217 AromaticContact CZ3-CD1 3.88Å; W140-F217 HydrophobicContact CZ3-CD1 3.88Å; W140-F217 AromaticContact CZ3-CG 3.79Å; W140-F217 HydrophobicContact CZ3-CG 3.79Å
141	K	93.3	Very high	97.1	Very high	127 Å²	127	50.1 Å²	50.1	55%	0.552	26%	0.258	S	S	*	.	S	Bend	trans	-124.9	153.3	-177.3	-55.9	-66.1	-177	-177	0	110.2	K137 F138 L143	K137-K141 WeakPolarHBondContact O-CA 3.32Å; K137-K141 VanDerWaalsContact O-CB 3.23Å; K137-K141 WeakPolarHBondContact O-CB 3.32Å; K137-K141 PolarHBondContact O-N 2.81Å; F138-K141 VanDerWaalsContact O-O 3.04Å; K141-L143 HydrophobicContact CB-CD1 3.99Å; K141-L143 HydrophobicContact CB-CG 3.99Å; K141-L143 PolarHBondContact O-N 3.47Å
142	N	93.8	Very high	97	Very high	171 Å²	171	50.2 Å²	50.2	91%	0.914	26%	0.259	S	S	*	.	S	Bend	trans	-79.7	73	173.9	-170.4	34.6	0	0	0	110.1
143	L	95	Very high	97	Very high	40 Å²	40	54.5 Å²	54.5	21%	0.209	28%	0.275	C	S	.	.			trans	-125.1	142.1	178.1	-63.3	172.1	0	0	0	109.2	F138 K141 E147 V148 L151	F138-L143 VanDerWaalsContact CD2-O 3.25Å; F138-L143 WeakPolarHBondContact CD2-O 3.42Å; K141-L143 HydrophobicContact CB-CD1 3.99Å; K141-L143 HydrophobicContact CB-CG 3.99Å; K141-L143 PolarHBondContact O-N 3.47Å; L143-E147 HydrophobicContact CB-CB 4.31Å; L143-E147 HydrophobicContact CD2-CB 4.38Å; L143-V148 HydrophobicContact CB-CG1 3.76Å; L143-V148 HydrophobicContact CD1-CG1 3.86Å; L143-V148 HydrophobicContact CG-CG1 4.48Å; L143-L151 HydrophobicContact CD1-CD1 4.04Å
144	S	97.3	Very high	97	Very high	45 Å²	45	55.8 Å²	55.8	32%	0.315	28%	0.281	S	S	.	.			trans	-71.8	161.1	170.4	64.3	0	0	0	0	111.8	S146 E147 V148	S144-S146 PolarHBondContact O-N 3Å; S144-S146 PolarHBondContact OG-OG 2.84Å; S144-E147 VanDerWaalsContact CB-OE2 3.27Å; S144-E147 WeakPolarHBondContact CB-OE2 3.38Å; S144-E147 PolarHBondContact N-OE2 3.46Å; S144-E147 PolarHBondContact O-N 3.26Å; S144-E147 VanDerWaalsContact O-N 3.11Å; S144-E147 WeakPolarHBondContact OG-CB 3.39Å; S144-E147 VanDerWaalsContact OG-CG 3.24Å; S144-E147 WeakPolarHBondContact OG-CG 3.44Å; S144-E147 PolarHBondContact OG-N 2.99Å; S144-E147 PolarHBondContact OG-OE2 2.95Å; S144-V148 PolarHBondContact O-N 3.25Å; S144-V148 VanDerWaalsContact O-N 3.07Å
145	I	96.5	Very high	97	Very high	95 Å²	95	55.8 Å²	55.8	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-56.4	-42.2	173.7	-63	176.3	0	0	0	110.5	F138 E147 V148 S149	F138-I145 HydrophobicContact CD2-CG1 4.18Å; F138-I145 HydrophobicContact CE2-CG1 4.02Å; I145-E147 VanDerWaalsContact C-N 3.33Å; I145-E147 PolarHBondContact O-N 3.02Å; I145-V148 WeakPolarHBondContact O-CG2 3.36Å; I145-V148 PolarHBondContact O-N 3.25Å; I145-S149 WeakPolarHBondContact O-CB 3.4Å; I145-S149 PolarHBondContact O-N 2.77Å; I145-S149 PolarHBondContact O-OG 3.03Å
146	S	97.3	Very high	97	Very high	89 Å²	89	55.1 Å²	55.1	62%	0.622	28%	0.277	S	S	*	.	H	α-helix	trans	-61.7	-38.2	176.9	42.3	0	0	0	0	113.3	S144 H150	S144-S146 PolarHBondContact O-N 3Å; S144-S146 PolarHBondContact OG-OG 2.84Å; S146-H150 WeakPolarHBondContact O-CB 3.33Å; S146-H150 PolarHBondContact O-N 2.93Å
147	E	97.5	Very high	97	Very high	94 Å²	94	56.1 Å²	56.1	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-68.4	-48.4	178.1	-75.9	164.7	120.5	0	0	111	L143 S144 I145 S149 H150 L151	L143-E147 HydrophobicContact CB-CB 4.31Å; L143-E147 HydrophobicContact CD2-CB 4.38Å; S144-E147 VanDerWaalsContact CB-OE2 3.27Å; S144-E147 WeakPolarHBondContact CB-OE2 3.38Å; S144-E147 PolarHBondContact N-OE2 3.46Å; S144-E147 PolarHBondContact O-N 3.26Å; S144-E147 VanDerWaalsContact O-N 3.11Å; S144-E147 WeakPolarHBondContact OG-CB 3.39Å; S144-E147 VanDerWaalsContact OG-CG 3.24Å; S144-E147 WeakPolarHBondContact OG-CG 3.44Å; S144-E147 PolarHBondContact OG-N 2.99Å; S144-E147 PolarHBondContact OG-OE2 2.95Å; I145-E147 VanDerWaalsContact C-N 3.33Å; I145-E147 PolarHBondContact O-N 3.02Å; E147-S149 VanDerWaalsContact C-N 3.33Å; E147-S149 PolarHBondContact O-N 3.13Å; E147-H150 WeakPolarHBondContact O-CB 3.35Å; E147-H150 PolarHBondContact O-N 3.01Å; E147-L151 VanDerWaalsContact O-CG 3.3Å; E147-L151 WeakPolarHBondContact O-CG 3.18Å; E147-L151 PolarHBondContact O-N 3.42Å
148	V	97.4	Very high	97.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-37.5	178.3	-62	0	0	0	0	111.9	D134 K137 F138 L143 S144 I145 H150 L151 T152 F175	D134-V148 HydrophobicContact CB-CB 3.93Å; D134-V148 HydrophobicContact CB-CG2 4.07Å; K137-V148 HydrophobicContact CB-CG1 4.14Å; F138-V148 HydrophobicContact CB-CG1 4.32Å; F138-V148 HydrophobicContact CB-CG2 4.41Å; L143-V148 HydrophobicContact CB-CG1 3.76Å; L143-V148 HydrophobicContact CD1-CG1 3.86Å; L143-V148 HydrophobicContact CG-CG1 4.48Å; S144-V148 PolarHBondContact O-N 3.25Å; S144-V148 VanDerWaalsContact O-N 3.07Å; I145-V148 WeakPolarHBondContact O-CG2 3.36Å; I145-V148 PolarHBondContact O-N 3.25Å; V148-H150 VanDerWaalsContact C-N 3.34Å; V148-H150 PolarHBondContact O-N 2.92Å; V148-L151 PolarHBondContact O-N 3.25Å; V148-T152 WeakPolarHBondContact O-CB 3.35Å; V148-T152 PolarHBondContact O-N 2.75Å; V148-T152 PolarHBondContact O-OG1 3.14Å; V148-F175 HydrophobicContact CG2-CD2 4.28Å; V148-F175 HydrophobicContact CG2-CE2 3.85Å
149	S	96.8	Very high	97.1	Very high	36 Å²	36	50.6 Å²	50.6	25%	0.252	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-39.4	173.1	-64.4	0	0	0	0	112.4	I145 E147 R153	I145-S149 WeakPolarHBondContact O-CB 3.4Å; I145-S149 PolarHBondContact O-N 2.77Å; I145-S149 PolarHBondContact O-OG 3.03Å; E147-S149 VanDerWaalsContact C-N 3.33Å; E147-S149 PolarHBondContact O-N 3.13Å; S149-R153 WeakPolarHBondContact O-CG 3.34Å; S149-R153 PolarHBondContact O-N 2.82Å
150	H	97.7	Very high	97.2	Very high	91 Å²	91	48.8 Å²	48.8	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-48.5	174.1	177.6	68.5	0	0	0	111.5	S146 E147 V148 T152 R153 E154	S146-H150 WeakPolarHBondContact O-CB 3.33Å; S146-H150 PolarHBondContact O-N 2.93Å; E147-H150 WeakPolarHBondContact O-CB 3.35Å; E147-H150 PolarHBondContact O-N 3.01Å; V148-H150 VanDerWaalsContact C-N 3.34Å; V148-H150 PolarHBondContact O-N 2.92Å; H150-T152 VanDerWaalsContact C-N 3.33Å; H150-T152 PolarHBondContact O-N 3.04Å; H150-R153 PolarHBondContact O-N 3.12Å; H150-E154 PolarHBondContact O-N 2.84Å
151	L	97.7	Very high	97.3	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-40.9	178.3	-65	176.5	0	0	0	112.1	P101 E104 L143 E147 V148 R153 E154 N155	P101-L151 HydrophobicContact CB-CB 3.98Å; P101-L151 WeakPolarHBondContact O-CD1 3.43Å; E104-L151 HydrophobicContact CB-CD2 4.45Å; E104-L151 HydrophobicContact CG-CD2 3.86Å; L143-L151 HydrophobicContact CD1-CD1 4.04Å; E147-L151 VanDerWaalsContact O-CG 3.3Å; E147-L151 WeakPolarHBondContact O-CG 3.18Å; E147-L151 PolarHBondContact O-N 3.42Å; V148-L151 PolarHBondContact O-N 3.25Å; L151-R153 PolarHBondContact O-N 3.33Å; L151-E154 PolarHBondContact O-N 3.06Å; L151-N155 WeakPolarHBondContact O-CB 3.28Å; L151-N155 PolarHBondContact O-N 2.72Å; L151-N155 PolarHBondContact O-ND2 3.45Å
152	T	98.2	Very high	97.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-54.5	-50.5	173.4	-70.2	0	0	0	0	111.2	P101 L132 D134 V148 H150 E154 N155 A156 M401	P101-T152 WeakPolarHBondContact CG-OG1 3.33Å; L132-T152 HydrophobicContact CB-CG2 3.99Å; L132-T152 HydrophobicContact CD1-CG2 3.58Å; L132-T152 HydrophobicContact CG-CG2 4.42Å; D134-T152 VanDerWaalsContact CB-OG1 3.3Å; D134-T152 WeakPolarHBondContact CB-OG1 3.41Å; D134-T152 PolarHBondContact OD2-OG1 2.99Å; V148-T152 WeakPolarHBondContact O-CB 3.35Å; V148-T152 PolarHBondContact O-N 2.75Å; V148-T152 PolarHBondContact O-OG1 3.14Å; H150-T152 VanDerWaalsContact C-N 3.33Å; H150-T152 PolarHBondContact O-N 3.04Å; T152-E154 PolarHBondContact O-N 3.23Å; T152-N155 PolarHBondContact O-N 2.68Å; T152-A156 VanDerWaalsContact O-CB 3.31Å; T152-A156 WeakPolarHBondContact O-CB 3.37Å; T152-A156 PolarHBondContact O-N 3.35Å; T152-M401 HydrophobicContact CG2-CE 4.22Å
153	R	97.9	Very high	97.7	Very high	91 Å²	91	34.7 Å²	34.7	34%	0.343	19%	0.189	S	C	.	.	H	α-helix	trans	-62.8	-42.9	-179.9	-70.4	174.7	61.7	75.7	2.5	112.1	S149 H150 L151 A156 K157 D394 L397	S149-R153 WeakPolarHBondContact O-CG 3.34Å; S149-R153 PolarHBondContact O-N 2.82Å; H150-R153 PolarHBondContact O-N 3.12Å; L151-R153 PolarHBondContact O-N 3.33Å; R153-A156 PolarHBondContact O-N 2.88Å; R153-K157 WeakPolarHBondContact O-CG 3.47Å; R153-K157 PolarHBondContact O-N 2.87Å; R153-K157 VanDerWaalsContact O-N 3.16Å; R153-D394 IonicContact CZ-OD1 3.43Å; R153-D394 IonicContact NH2-OD1 3.26Å; R153-D394 PolarHBondContact NH2-OD1 2.97Å; R153-L397 HydrophobicContact CB-CD2 4.33Å; R153-L397 HydrophobicContact CG-CD2 4.39Å
154	E	98	Very high	97.9	Very high	32 Å²	32	33.2 Å²	33.2	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-36	179.6	-67.7	-55.9	116.2	0	0	112.8	E104 H150 L151 T152 K157 D158 R389	E104-E154 WeakPolarHBondContact O-CB 3.29Å; H150-E154 PolarHBondContact O-N 2.84Å; L151-E154 PolarHBondContact O-N 3.06Å; T152-E154 PolarHBondContact O-N 3.23Å; E154-K157 PolarHBondContact O-N 2.82Å; E154-K157 IonicContact OE1-NZ 3.84Å; E154-K157 PolarHBondContact OE1-NZ 2.99Å; E154-D158 PolarHBondContact O-N 2.51Å; E154-R389 PolarHBondContact O-NH2 3.26Å; E154-R389 IonicContact OE2-CZ 3.47Å; E154-R389 IonicContact OE2-NH1 3.34Å; E154-R389 PolarHBondContact OE2-NH1 3.23Å; E154-R389 IonicContact OE2-NH2 2.76Å; E154-R389 PolarHBondContact OE2-NH2 2.82Å
155	N	98.4	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.2	-37.3	174.5	-80.7	-130.8	0	0	0	111	R99 P101 S103 E104 L106 L151 T152 K157 D158 I159	R99-N155 PolarHBondContact NE-OD1 2.94Å; P101-N155 HydrophobicContact CB-CB 4.25Å; S103-N155 PolarHBondContact O-ND2 3.45Å; E104-N155 PolarHBondContact O-ND2 3.18Å; L106-N155 WeakPolarHBondContact CD2-OD1 3.3Å; L151-N155 WeakPolarHBondContact O-CB 3.28Å; L151-N155 PolarHBondContact O-N 2.72Å; L151-N155 PolarHBondContact O-ND2 3.45Å; T152-N155 PolarHBondContact O-N 2.68Å; N155-K157 VanDerWaalsContact C-N 3.31Å; N155-K157 PolarHBondContact O-N 2.75Å; N155-D158 WeakPolarHBondContact O-CB 3.49Å; N155-D158 PolarHBondContact O-N 3Å; N155-I159 VanDerWaalsContact O-CG1 3.28Å; N155-I159 WeakPolarHBondContact O-CG1 3.3Å; N155-I159 PolarHBondContact O-N 2.88Å
156	A	98.5	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-41.1	174.1	0	0	0	0	0	111.6	L132 T152 R153 D158 I159 I160 I171 L397 M401	L132-A156 HydrophobicContact CD1-CB 3.85Å; T152-A156 VanDerWaalsContact O-CB 3.31Å; T152-A156 WeakPolarHBondContact O-CB 3.37Å; T152-A156 PolarHBondContact O-N 3.35Å; R153-A156 PolarHBondContact O-N 2.88Å; A156-D158 PolarHBondContact O-N 2.68Å; A156-I159 PolarHBondContact O-N 2.83Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.72Å; A156-I171 HydrophobicContact CB-CG2 4.46Å; A156-L397 HydrophobicContact CB-CD1 3.52Å; A156-M401 HydrophobicContact CB-SD 4.01Å
157	K	98.5	Very high	97.7	Very high	36 Å²	36	32.7 Å²	32.7	16%	0.157	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-43.1	174.1	-69.8	173.1	-177	168.6	0	112.6	R153 E154 N155 I160 A161 R389 I392 L397	R153-K157 WeakPolarHBondContact O-CG 3.47Å; R153-K157 PolarHBondContact O-N 2.87Å; R153-K157 VanDerWaalsContact O-N 3.16Å; E154-K157 PolarHBondContact O-N 2.82Å; E154-K157 IonicContact OE1-NZ 3.84Å; E154-K157 PolarHBondContact OE1-NZ 2.99Å; N155-K157 VanDerWaalsContact C-N 3.31Å; N155-K157 PolarHBondContact O-N 2.75Å; K157-I160 PolarHBondContact O-N 2.78Å; K157-A161 WeakPolarHBondContact O-CB 3.42Å; K157-A161 PolarHBondContact O-N 3.32Å; K157-R389 HydrophobicContact CB-CG 4.32Å; K157-I392 HydrophobicContact CG-CB 4.49Å; K157-I392 HydrophobicContact CG-CG2 4.06Å; K157-L397 HydrophobicContact CG-CD1 4.5Å
158	D	98.3	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-45.2	173.9	-81.7	-25.7	0	0	0	111.3	A105 L106 E154 N155 A156 I160 A161 M162 H385 R389	A105-D158 WeakPolarHBondContact CA-OD2 3.44Å; L106-D158 HydrophobicContact CB-CB 4.45Å; L106-D158 HydrophobicContact CD1-CB 3.77Å; L106-D158 HydrophobicContact CG-CB 3.78Å; L106-D158 PolarHBondContact N-OD2 2.94Å; E154-D158 PolarHBondContact O-N 2.51Å; N155-D158 WeakPolarHBondContact O-CB 3.49Å; N155-D158 PolarHBondContact O-N 3Å; A156-D158 PolarHBondContact O-N 2.68Å; D158-I160 PolarHBondContact O-N 3.48Å; D158-A161 WeakPolarHBondContact O-CB 3.18Å; D158-A161 PolarHBondContact O-N 3.37Å; D158-M162 PolarHBondContact O-N 2.84Å; D158-H385 PolarHBondContact O-CE1 3.32Å; D158-H385 IonicContact OD1-CE1 2.78Å; D158-H385 IonicContact OD1-NE2 3.62Å; D158-H385 PolarHBondContact OD1-NE2 3.22Å; D158-R389 WeakPolarHBondContact OD1-CD 3.36Å; D158-R389 IonicContact OD1-CZ 2.72Å; D158-R389 IonicContact OD1-NE 2.83Å; D158-R389 PolarHBondContact OD1-NE 2.85Å
159	I	98.5	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-45.2	179.8	-67.5	164.5	0	0	0	110.8	R99 L106 F114 I130 L132 N155 A156 A161 M162 F164 I171	R99-I159 HydrophobicContact CB-CD1 4.17Å; R99-I159 HydrophobicContact CG-CD1 4.44Å; L106-I159 HydrophobicContact CD1-CG1 4.16Å; F114-I159 HydrophobicContact CD1-CG2 4.19Å; F114-I159 HydrophobicContact CD2-CG1 4.5Å; F114-I159 HydrophobicContact CE1-CD1 4.04Å; F114-I159 HydrophobicContact CE1-CG1 3.94Å; F114-I159 HydrophobicContact CE1-CG2 3.97Å; F114-I159 HydrophobicContact CE2-CD1 4.28Å; F114-I159 HydrophobicContact CE2-CG1 3.92Å; F114-I159 HydrophobicContact CZ-CD1 3.6Å; F114-I159 HydrophobicContact CZ-CG1 3.61Å; I130-I159 HydrophobicContact CD1-CG2 3.46Å; I130-I159 VanDerWaalsContact CD1-CG2 3.46Å; I130-I159 HydrophobicContact CG2-CD1 4.2Å; L132-I159 HydrophobicContact CD2-CD1 3.7Å; N155-I159 VanDerWaalsContact O-CG1 3.28Å; N155-I159 WeakPolarHBondContact O-CG1 3.3Å; N155-I159 PolarHBondContact O-N 2.88Å; A156-I159 PolarHBondContact O-N 2.83Å; I159-A161 VanDerWaalsContact C-N 3.29Å; I159-A161 PolarHBondContact O-N 3.36Å; I159-M162 WeakPolarHBondContact O-CB 3.4Å; I159-M162 WeakPolarHBondContact O-CG 3.47Å; I159-M162 PolarHBondContact O-N 2.86Å; I159-M162 VanDerWaalsContact O-N 3.12Å; I159-F164 HydrophobicContact CG2-CD2 4.13Å; I159-F164 HydrophobicContact CG2-CE2 3.93Å; I159-F164 VanDerWaalsContact O-CD2 3.31Å; I159-F164 WeakPolarHBondContact O-CD2 3.45Å; I159-I171 HydrophobicContact CB-CD1 4.44Å; I159-I171 HydrophobicContact CG2-CD1 3.85Å
160	I	98.6	Very high	97.7	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-39.5	177.5	-67	164.8	0	0	0	110.9	A156 K157 D158 M162 G163 I171 I392 V396 L397 F400	A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.72Å; K157-I160 PolarHBondContact O-N 2.78Å; D158-I160 PolarHBondContact O-N 3.48Å; I160-M162 PolarHBondContact O-N 2.91Å; I160-M162 VanDerWaalsContact O-N 3.1Å; I160-G163 PolarHBondContact O-N 2.69Å; I160-I171 HydrophobicContact CD1-CD1 4.33Å; I160-I171 HydrophobicContact CG1-CD1 3.66Å; I160-I392 HydrophobicContact CB-CD1 4.46Å; I160-I392 HydrophobicContact CD1-CG2 4.28Å; I160-I392 HydrophobicContact CG2-CD1 3.55Å; I160-I392 HydrophobicContact CG2-CG1 4.12Å; I160-I392 HydrophobicContact CG2-CG2 4.32Å; I160-V396 HydrophobicContact CG2-CG1 4.12Å; I160-L397 HydrophobicContact CD1-CD1 3.73Å; I160-F400 HydrophobicContact CB-CE2 4.39Å; I160-F400 HydrophobicContact CD1-CB 3.95Å; I160-F400 HydrophobicContact CD1-CD2 3.67Å; I160-F400 HydrophobicContact CD1-CE2 4.33Å; I160-F400 HydrophobicContact CD1-CG 3.88Å; I160-F400 HydrophobicContact CG1-CB 4.25Å; I160-F400 HydrophobicContact CG1-CD1 4.13Å; I160-F400 HydrophobicContact CG1-CD2 3.73Å; I160-F400 HydrophobicContact CG1-CE1 4.38Å; I160-F400 HydrophobicContact CG1-CE2 4.02Å; I160-F400 HydrophobicContact CG1-CG 3.78Å; I160-F400 HydrophobicContact CG1-CZ 4.33Å; I160-F400 HydrophobicContact CG2-CD2 4.01Å; I160-F400 HydrophobicContact CG2-CE2 3.52Å; I160-F400 HydrophobicContact CG2-CZ 3.92Å
161	A	98.3	Very high	97.7	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-15.2	178.6	0	0	0	0	0	113.9	K157 D158 I159 G163 K388 R389	K157-A161 WeakPolarHBondContact O-CB 3.42Å; K157-A161 PolarHBondContact O-N 3.32Å; D158-A161 WeakPolarHBondContact O-CB 3.18Å; D158-A161 PolarHBondContact O-N 3.37Å; I159-A161 VanDerWaalsContact C-N 3.29Å; I159-A161 PolarHBondContact O-N 3.36Å; A161-G163 PolarHBondContact O-N 2.7Å; A161-K388 HydrophobicContact CB-CB 4.04Å; A161-K388 WeakPolarHBondContact O-CD 3.47Å; A161-R389 HydrophobicContact CB-CB 3.8Å; A161-R389 HydrophobicContact CB-CG 4.41Å
162	M	98.1	Very high	97.8	Very high	17 Å²	17	22.3 Å²	22.3	8%	0.084	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.7	168.9	-61.4	-58.3	-53.6	0	0	112.8	V111 F114 I115 K118 D158 I159 I160 F164 F381	V111-M162 HydrophobicContact CG1-CE 3.29Å; V111-M162 HydrophobicContact CG1-SD 3.62Å; F114-M162 HydrophobicContact CB-CG 4.22Å; I115-M162 HydrophobicContact CG1-CE 3.88Å; K118-M162 WeakPolarHBondContact CD-O 3.33Å; K118-M162 VanDerWaalsContact CE-O 3.29Å; K118-M162 WeakPolarHBondContact CE-O 3.47Å; D158-M162 PolarHBondContact O-N 2.84Å; I159-M162 WeakPolarHBondContact O-CB 3.4Å; I159-M162 WeakPolarHBondContact O-CG 3.47Å; I159-M162 PolarHBondContact O-N 2.86Å; I159-M162 VanDerWaalsContact O-N 3.12Å; I160-M162 PolarHBondContact O-N 2.91Å; I160-M162 VanDerWaalsContact O-N 3.1Å; M162-F164 HydrophobicContact CB-CD2 4.1Å; M162-F164 HydrophobicContact CB-CE2 3.79Å; M162-F164 HydrophobicContact CG-CE2 4.39Å; M162-F381 HydrophobicContact CE-CZ 4.29Å
163	G	97.7	Very high	97.8	Very high	31 Å²	31	22.3 Å²	22.3	32%	0.32	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	36.1	173.9	0	0	0	0	0	114.1	K118 I160 A161	K118-G163 VanDerWaalsContact CE-O 3.28Å; K118-G163 WeakPolarHBondContact CE-O 3.22Å; K118-G163 PolarHBondContact NZ-O 2.76Å; I160-G163 PolarHBondContact O-N 2.69Å; A161-G163 PolarHBondContact O-N 2.7Å
164	F	98.2	Very high	97.8	Very high	9 Å²	9	18 Å²	18	4%	0.039	9%	0.094	C	C	.	.			trans	-66.7	150.1	170.2	-69	-73.2	0	0	0	111.5	F114 N117 K118 L128 I130 I159 M162 P166 T169 F400	F114-F164 HydrophobicContact CB-CE2 4.26Å; F114-F164 HydrophobicContact CB-CZ 4.06Å; F114-F164 HydrophobicContact CD1-CE2 4.06Å; F114-F164 HydrophobicContact CD1-CZ 4.02Å; F114-F164 WeakPolarHBondContact O-CZ 3.17Å; N117-F164 HydrophobicContact CB-CE1 4.15Å; N117-F164 HydrophobicContact CB-CZ 4.35Å; K118-F164 HydrophobicContact CB-CD1 4.16Å; K118-F164 HydrophobicContact CB-CE1 3.65Å; K118-F164 HydrophobicContact CB-CZ 4.11Å; L128-F164 HydrophobicContact CD2-CD1 3.5Å; L128-F164 VanDerWaalsContact CD2-CD1 3.5Å; L128-F164 HydrophobicContact CD2-CE1 3.24Å; L128-F164 HydrophobicContact CD2-CG 4.32Å; L128-F164 HydrophobicContact CD2-CZ 3.91Å; I130-F164 HydrophobicContact CD1-CD2 4.41Å; I130-F164 HydrophobicContact CD1-CE2 4.2Å; I130-F164 HydrophobicContact CD1-CZ 4.46Å; I159-F164 HydrophobicContact CG2-CD2 4.13Å; I159-F164 HydrophobicContact CG2-CE2 3.93Å; I159-F164 VanDerWaalsContact O-CD2 3.31Å; I159-F164 WeakPolarHBondContact O-CD2 3.45Å; M162-F164 HydrophobicContact CB-CD2 4.1Å; M162-F164 HydrophobicContact CB-CE2 3.79Å; M162-F164 HydrophobicContact CG-CE2 4.39Å; F164-P166 WeakPolarHBondContact O-CD 3.5Å; F164-T169 HydrophobicContact CB-CG2 4.03Å; F164-T169 HydrophobicContact CG-CG2 4.32Å; F164-F400 HydrophobicContact CB-CE1 4.06Å; F164-F400 WeakPolarHBondContact O-CZ 3.34Å
165	D	96.4	Very high	97.8	Very high	46 Å²	46	20.1 Å²	20.1	25%	0.246	10%	0.103	C	C	.	.			trans	-79.3	118.3	175.8	-177	-11.3	0	0	0	109.6	K167 K168 T169	D165-K167 PolarHBondContact O-N 3.11Å; D165-K167 VanDerWaalsContact O-N 3.16Å; D165-K167 WeakPolarHBondContact OD1-CB 3.27Å; D165-K167 PolarHBondContact OD1-N 2.92Å; D165-K168 HydrophobicContact CB-CB 4.32Å; D165-K168 HydrophobicContact CB-CD 4.23Å; D165-K168 HydrophobicContact CB-CG 4.41Å; D165-K168 CarbonylContact O-C 3.44Å; D165-K168 PolarHBondContact O-N 2.96Å; D165-K168 WeakPolarHBondContact OD2-CE 3.5Å; D165-K168 IonicContact OD2-NZ 3.81Å; D165-K168 PolarHBondContact OD2-NZ 2.86Å; D165-T169 VanDerWaalsContact O-CB 3.27Å; D165-T169 WeakPolarHBondContact O-CB 3.27Å; D165-T169 PolarHBondContact O-N 3.48Å; D165-T169 PolarHBondContact O-OG1 3.44Å
166	P	95.7	Very high	97.7	Very high	30 Å²	30	25.1 Å²	25.1	20%	0.195	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.5	179.2	23.8	-32.7	0	0	0	112.8	F164 K168 Q399 F400 H404	F164-P166 WeakPolarHBondContact O-CD 3.5Å; P166-K168 PolarHBondContact O-N 3.22Å; P166-Q399 HydrophobicContact CB-CG 4.01Å; P166-F400 HydrophobicContact CB-CD1 4.47Å; P166-F400 HydrophobicContact CB-CD2 4.12Å; P166-F400 HydrophobicContact CB-CE1 4.05Å; P166-F400 HydrophobicContact CB-CE2 3.65Å; P166-F400 HydrophobicContact CB-CZ 3.62Å; P166-F400 HydrophobicContact CG-CE2 4.27Å; P166-F400 HydrophobicContact CG-CZ 4.16Å; P166-H404 PolarHBondContact O-NE2 3.11Å
167	K	94.5	Very high	97.7	Very high	141 Å²	141	25.4 Å²	25.4	61%	0.613	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.9	177.3	-60.6	179	-179.4	178.5	0	113.3	D165 L406 R407	D165-K167 PolarHBondContact O-N 3.11Å; D165-K167 VanDerWaalsContact O-N 3.16Å; D165-K167 WeakPolarHBondContact OD1-CB 3.27Å; D165-K167 PolarHBondContact OD1-N 2.92Å; K167-L406 WeakPolarHBondContact O-CA 3.48Å; K167-R407 PolarHBondContact O-N 2.9Å
168	K	95.5	Very high	97.6	Very high	19 Å²	19	25.9 Å²	25.9	8%	0.083	13%	0.131	C	C	.	.	S	Bend	trans	-130	3.6	-175.5	-60.6	174.5	-163	157.3	0	112.2	Q121 D125 P127 L128 D165 P166 R407	Q121-K168 HydrophobicContact CG-CD 4.26Å; Q121-K168 PolarHBondContact NE2-O 3.37Å; D125-K168 WeakPolarHBondContact OD1-CE 3.38Å; D125-K168 IonicContact OD1-NZ 2.78Å; D125-K168 PolarHBondContact OD1-NZ 3.37Å; P127-K168 CarbonylContact C-O 3.53Å; P127-K168 VanDerWaalsContact CA-O 3.32Å; P127-K168 WeakPolarHBondContact CA-O 3.44Å; L128-K168 PolarHBondContact N-O 3.38Å; D165-K168 HydrophobicContact CB-CB 4.32Å; D165-K168 HydrophobicContact CB-CD 4.23Å; D165-K168 HydrophobicContact CB-CG 4.41Å; D165-K168 CarbonylContact O-C 3.44Å; D165-K168 PolarHBondContact O-N 2.96Å; D165-K168 WeakPolarHBondContact OD2-CE 3.5Å; D165-K168 IonicContact OD2-NZ 3.81Å; D165-K168 PolarHBondContact OD2-NZ 2.86Å; P166-K168 PolarHBondContact O-N 3.22Å; K168-R407 HydrophobicContact CG-CB 4.19Å
169	T	98	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.9	-171.7	-48	0	0	0	0	110.2	Q121 L128 I130 F164 D165 I171 F400	Q121-T169 PolarHBondContact NE2-OG1 3.3Å; L128-T169 HydrophobicContact CB-CG2 4.41Å; L128-T169 HydrophobicContact CD2-CG2 4.14Å; L128-T169 HydrophobicContact CG-CG2 4.27Å; L128-T169 WeakPolarHBondContact O-CA 3.28Å; I130-T169 HydrophobicContact CD1-CG2 4.01Å; I130-T169 HydrophobicContact CG1-CG2 4.4Å; F164-T169 HydrophobicContact CB-CG2 4.03Å; F164-T169 HydrophobicContact CG-CG2 4.32Å; D165-T169 VanDerWaalsContact O-CB 3.27Å; D165-T169 WeakPolarHBondContact O-CB 3.27Å; D165-T169 PolarHBondContact O-N 3.48Å; D165-T169 PolarHBondContact O-OG1 3.44Å; T169-I171 HydrophobicContact CG2-CG1 4.11Å; T169-F400 HydrophobicContact CG2-CD1 4Å; T169-F400 HydrophobicContact CG2-CE1 4.08Å
170	F	98.3	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.6	172	175.6	-123.1	0	0	0	109.4	L128 V129 I130 F172 Y177 F230 V233 F400 P403 L406	L128-F170 PolarHBondContact O-N 3.19Å; V129-F170 CarbonylContact C-O 3.51Å; V129-F170 VanDerWaalsContact CA-O 3.3Å; V129-F170 WeakPolarHBondContact CA-O 3.32Å; V129-F170 HydrophobicContact CG1-CB 4.46Å; V129-F170 HydrophobicContact CG1-CD1 4.42Å; I130-F170 PolarHBondContact N-O 2.88Å; F170-F172 HydrophobicContact CD1-CB 4.47Å; F170-F172 HydrophobicContact CD1-CD1 4.05Å; F170-F172 HydrophobicContact CE1-CB 3.69Å; F170-F172 AromaticContact CE1-CD1 3.81Å; F170-F172 HydrophobicContact CE1-CD1 3.81Å; F170-F172 AromaticContact CE1-CG 3.95Å; F170-F172 HydrophobicContact CE1-CG 3.95Å; F170-F172 HydrophobicContact CE2-CB 4.25Å; F170-F172 HydrophobicContact CZ-CB 3.56Å; F170-F172 HydrophobicContact CZ-CG 4.32Å; F170-Y177 HydrophobicContact CE1-CD2 4.14Å; F170-Y177 HydrophobicContact CE1-CE1 4.4Å; F170-Y177 AromaticContact CE1-CE2 3.87Å; F170-Y177 HydrophobicContact CE1-CE2 3.87Å; F170-Y177 AromaticContact CZ-CD2 3.72Å; F170-Y177 HydrophobicContact CZ-CD2 3.72Å; F170-Y177 AromaticContact CZ-CE2 3.71Å; F170-Y177 HydrophobicContact CZ-CE2 3.71Å; F170-Y177 HydrophobicContact CZ-CG 4.35Å; F170-F230 HydrophobicContact CD1-CD1 4.05Å; F170-F230 HydrophobicContact CD1-CE1 4.3Å; F170-F230 AromaticContact CE1-CD1 3.85Å; F170-F230 HydrophobicContact CE1-CD1 3.85Å; F170-F230 HydrophobicContact CE1-CE1 4.06Å; F170-V233 HydrophobicContact CB-CG1 4.43Å; F170-V233 HydrophobicContact CB-CG2 4.32Å; F170-V233 HydrophobicContact CD1-CG2 3.66Å; F170-V233 HydrophobicContact CE1-CG2 4.1Å; F170-V233 HydrophobicContact CG-CG2 3.95Å; F170-F400 WeakPolarHBondContact CD2-O 3.39Å; F170-P403 HydrophobicContact CE2-CB 4.23Å; F170-P403 HydrophobicContact CE2-CG 3.95Å; F170-P403 HydrophobicContact CZ-CB 4.28Å; F170-P403 HydrophobicContact CZ-CG 3.86Å; F170-L406 HydrophobicContact CB-CD1 4.36Å; F170-L406 HydrophobicContact CB-CD2 4.33Å
171	I	98.7	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131	177.8	-53.6	-179.3	0	0	0	107.3	I130 L132 A156 I159 I160 T169 F400 M401	I130-I171 HydrophobicContact CB-CB 4.47Å; I130-I171 HydrophobicContact CB-CG1 4.15Å; I130-I171 HydrophobicContact CB-CG2 4.32Å; I130-I171 HydrophobicContact CD1-CD1 4.38Å; I130-I171 HydrophobicContact CD1-CG1 4.12Å; I130-I171 HydrophobicContact CG1-CG1 4.4Å; I130-I171 HydrophobicContact CG2-CG2 4.5Å; I130-I171 WeakPolarHBondContact O-CA 3.32Å; L132-I171 HydrophobicContact CD1-CG2 3.62Å; L132-I171 HydrophobicContact CG-CG2 3.93Å; A156-I171 HydrophobicContact CB-CG2 4.46Å; I159-I171 HydrophobicContact CB-CD1 4.44Å; I159-I171 HydrophobicContact CG2-CD1 3.85Å; I160-I171 HydrophobicContact CD1-CD1 4.33Å; I160-I171 HydrophobicContact CG1-CD1 3.66Å; T169-I171 HydrophobicContact CG2-CG1 4.11Å; I171-F400 HydrophobicContact CB-CB 4.47Å; I171-F400 HydrophobicContact CD1-CB 4.05Å; I171-F400 HydrophobicContact CD1-CD1 3.9Å; I171-F400 HydrophobicContact CD1-CG 4.22Å; I171-F400 HydrophobicContact CG1-CB 4.18Å; I171-F400 HydrophobicContact CG1-CD1 4.16Å; I171-F400 PolarHBondContact N-O 3.3Å; I171-M401 HydrophobicContact CB-CG 4.34Å; I171-M401 VanDerWaalsContact O-CA 3.24Å; I171-M401 WeakPolarHBondContact O-CA 3.09Å
172	F	98.7	Very high	97	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.2	-175.9	68.8	-84.1	0	0	0	113.1	V129 I130 Q131 L132 F170 N174 Y177 F184 P224 F230	V129-F172 HydrophobicContact CB-CE1 4.46Å; I130-F172 WeakPolarHBondContact O-CD1 3.46Å; I130-F172 PolarHBondContact O-N 3.26Å; Q131-F172 HydrophobicContact CB-CE1 3.9Å; Q131-F172 HydrophobicContact CB-CE2 4.08Å; Q131-F172 HydrophobicContact CB-CZ 3.48Å; Q131-F172 VanDerWaalsContact CB-CZ 3.48Å; Q131-F172 HydrophobicContact CG-CE1 4.44Å; Q131-F172 HydrophobicContact CG-CE2 3.7Å; Q131-F172 HydrophobicContact CG-CZ 3.59Å; L132-F172 WeakPolarHBondContact CB-O 3.5Å; L132-F172 PolarHBondContact N-O 3.41Å; F170-F172 HydrophobicContact CD1-CB 4.47Å; F170-F172 HydrophobicContact CD1-CD1 4.05Å; F170-F172 HydrophobicContact CE1-CB 3.69Å; F170-F172 AromaticContact CE1-CD1 3.81Å; F170-F172 HydrophobicContact CE1-CD1 3.81Å; F170-F172 AromaticContact CE1-CG 3.95Å; F170-F172 HydrophobicContact CE1-CG 3.95Å; F170-F172 HydrophobicContact CE2-CB 4.25Å; F170-F172 HydrophobicContact CZ-CB 3.56Å; F170-F172 HydrophobicContact CZ-CG 4.32Å; F172-N174 WeakPolarHBondContact CE2-OD1 3.33Å; F172-Y177 HydrophobicContact CB-CG 4.15Å; F172-Y177 AromaticContact CD2-CD1 3.75Å; F172-Y177 HydrophobicContact CD2-CD1 3.75Å; F172-Y177 HydrophobicContact CD2-CG 4.02Å; F172-Y177 HydrophobicContact CE2-CD1 4.17Å; F172-Y177 HydrophobicContact CG-CD1 4.2Å; F172-Y177 HydrophobicContact CG-CG 4.29Å; F172-F184 AromaticContact CE2-CE2 3.99Å; F172-F184 HydrophobicContact CE2-CE2 3.99Å; F172-F184 AromaticContact CE2-CZ 3.97Å; F172-F184 HydrophobicContact CE2-CZ 3.97Å; F172-F184 HydrophobicContact CZ-CE2 4.18Å; F172-F184 HydrophobicContact CZ-CZ 4.44Å; F172-P224 HydrophobicContact CZ-CB 4.23Å; F172-P224 HydrophobicContact CZ-CG 3.83Å; F172-F230 AromaticContact CD1-CE1 3.99Å; F172-F230 HydrophobicContact CD1-CE1 3.99Å; F172-F230 AromaticContact CE1-CE1 3.6Å; F172-F230 HydrophobicContact CE1-CE1 3.6Å; F172-F230 AromaticContact CE1-CZ 3.73Å; F172-F230 HydrophobicContact CE1-CZ 3.73Å; F172-F230 HydrophobicContact CE2-CE1 4.47Å; F172-F230 AromaticContact CZ-CE1 3.87Å; F172-F230 HydrophobicContact CZ-CE1 3.87Å; F172-F230 AromaticContact CZ-CZ 3.86Å; F172-F230 HydrophobicContact CZ-CZ 3.86Å
173	S	98.6	Very high	96.9	Very high	1 Å²	1	39 Å²	39	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.2	163.5	161	0	0	0	0	109.3	D134 F175 E176 Y177	D134-S173 VanDerWaalsContact CG-OG 3.28Å; D134-S173 PolarHBondContact OD1-OG 3.44Å; D134-S173 VanDerWaalsContact OD2-CB 3.3Å; D134-S173 WeakPolarHBondContact OD2-CB 3.41Å; D134-S173 PolarHBondContact OD2-OG 3.16Å; S173-F175 PolarHBondContact OG-N 2.89Å; S173-E176 PolarHBondContact OG-N 3.37Å; S173-E176 VanDerWaalsContact OG-N 3.11Å; S173-Y177 WeakPolarHBondContact O-CB 3.29Å; S173-Y177 PolarHBondContact O-N 2.93Å
174	N	98.5	Very high	97	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-45.6	172.6	-82.2	-9.6	0	0	0	111.2	Q131 L132 D134 D135 F172 E176 M178 I220	Q131-N174 VanDerWaalsContact CG-OD1 3.29Å; Q131-N174 WeakPolarHBondContact CG-OD1 3.39Å; Q131-N174 PolarHBondContact NE2-ND2 3.22Å; Q131-N174 VanDerWaalsContact NE2-ND2 3.15Å; Q131-N174 PolarHBondContact NE2-OD1 3.48Å; L132-N174 PolarHBondContact O-N 3.44Å; L132-N174 VanDerWaalsContact O-N 3.07Å; D134-N174 PolarHBondContact OD1-N 2.87Å; D134-N174 VanDerWaalsContact OD1-N 3.12Å; D135-N174 HydrophobicContact CB-CB 4.22Å; D135-N174 VanDerWaalsContact CG-ND2 3.33Å; D135-N174 VanDerWaalsContact OD1-CB 3.28Å; D135-N174 WeakPolarHBondContact OD1-CB 3.43Å; D135-N174 PolarHBondContact OD1-ND2 3.35Å; D135-N174 WeakPolarHBondContact OD2-CB 3.43Å; D135-N174 PolarHBondContact OD2-ND2 3.19Å; F172-N174 WeakPolarHBondContact CE2-OD1 3.33Å; N174-E176 PolarHBondContact O-N 3.34Å; N174-M178 WeakPolarHBondContact O-CB 3.42Å; N174-M178 PolarHBondContact O-N 3.07Å; N174-M178 VanDerWaalsContact O-N 3.12Å; N174-I220 WeakPolarHBondContact ND2-CG2 3.49Å
175	F	97.2	Very high	97	Very high	76 Å²	76	43.2 Å²	43.2	33%	0.333	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-46.3	177.6	-80.8	-54.8	0	0	0	112.8	D134 D135 F138 V148 S173	D134-F175 HydrophobicContact CB-CD2 3.85Å; D134-F175 HydrophobicContact CB-CE2 4.23Å; D134-F175 PolarHBondContact OD1-N 3.24Å; D134-F175 VanDerWaalsContact OD1-N 3.1Å; D135-F175 VanDerWaalsContact CA-CE2 3.47Å; D135-F175 HydrophobicContact CB-CD1 4.36Å; D135-F175 HydrophobicContact CB-CD2 4.4Å; D135-F175 HydrophobicContact CB-CE1 4.02Å; D135-F175 HydrophobicContact CB-CE2 4.05Å; D135-F175 HydrophobicContact CB-CZ 3.86Å; F138-F175 HydrophobicContact CB-CE2 4.03Å; F138-F175 HydrophobicContact CB-CZ 3.97Å; F138-F175 HydrophobicContact CD1-CZ 4.1Å; F138-F175 HydrophobicContact CG-CE2 4.5Å; F138-F175 HydrophobicContact CG-CZ 4.06Å; V148-F175 HydrophobicContact CG2-CD2 4.28Å; V148-F175 HydrophobicContact CG2-CE2 3.85Å; S173-F175 PolarHBondContact OG-N 2.89Å
176	E	96.9	Very high	97	Very high	105 Å²	105	47.6 Å²	47.6	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-73.7	-48.1	-177.8	-61.8	-178.9	166.4	0	0	111.7	S173 N174 M178 G179 T180	S173-E176 PolarHBondContact OG-N 3.37Å; S173-E176 VanDerWaalsContact OG-N 3.11Å; N174-E176 PolarHBondContact O-N 3.34Å; E176-M178 PolarHBondContact O-N 2.98Å; E176-G179 PolarHBondContact O-N 2.86Å; E176-T180 PolarHBondContact O-N 2.96Å
177	Y	98.1	Very high	97.1	Very high	6 Å²	6	46.2 Å²	46.2	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-70.6	-37.9	-171.4	-172.7	-119.5	0	0	0	112.9	F170 F172 S173 G179 T180 C181 F184 S229 F230 P403	F170-Y177 HydrophobicContact CE1-CD2 4.14Å; F170-Y177 HydrophobicContact CE1-CE1 4.4Å; F170-Y177 AromaticContact CE1-CE2 3.87Å; F170-Y177 HydrophobicContact CE1-CE2 3.87Å; F170-Y177 AromaticContact CZ-CD2 3.72Å; F170-Y177 HydrophobicContact CZ-CD2 3.72Å; F170-Y177 AromaticContact CZ-CE2 3.71Å; F170-Y177 HydrophobicContact CZ-CE2 3.71Å; F170-Y177 HydrophobicContact CZ-CG 4.35Å; F172-Y177 HydrophobicContact CB-CG 4.15Å; F172-Y177 AromaticContact CD2-CD1 3.75Å; F172-Y177 HydrophobicContact CD2-CD1 3.75Å; F172-Y177 HydrophobicContact CD2-CG 4.02Å; F172-Y177 HydrophobicContact CE2-CD1 4.17Å; F172-Y177 HydrophobicContact CG-CD1 4.2Å; F172-Y177 HydrophobicContact CG-CG 4.29Å; S173-Y177 WeakPolarHBondContact O-CB 3.29Å; S173-Y177 PolarHBondContact O-N 2.93Å; Y177-G179 PolarHBondContact O-N 3.43Å; Y177-T180 PolarHBondContact O-N 2.77Å; Y177-T180 PolarHBondContact O-OG1 2.92Å; Y177-T180 VanDerWaalsContact O-OG1 3.09Å; Y177-C181 HydrophobicContact CD1-CB 4.4Å; Y177-C181 HydrophobicContact CD2-CB 4.05Å; Y177-C181 HydrophobicContact CE1-CB 3.91Å; Y177-C181 HydrophobicContact CE2-CB 3.51Å; Y177-C181 HydrophobicContact CG-CB 4.46Å; Y177-C181 VanDerWaalsContact CZ-CB 3.42Å; Y177-C181 PolarHBondContact O-N 3.26Å; Y177-C181 PolarHBondContact OH-SG 2.89Å; Y177-F184 HydrophobicContact CD1-CB 4.2Å; Y177-F184 HydrophobicContact CD1-CD1 4.4Å; Y177-F184 AromaticContact CD1-CD2 3.77Å; Y177-F184 HydrophobicContact CD1-CD2 3.77Å; Y177-F184 HydrophobicContact CD1-CE2 4.26Å; Y177-F184 AromaticContact CD1-CG 3.87Å; Y177-F184 HydrophobicContact CD1-CG 3.87Å; Y177-F184 HydrophobicContact CE1-CB 3.83Å; Y177-F184 AromaticContact CE1-CD2 3.48Å; Y177-F184 HydrophobicContact CE1-CD2 3.48Å; Y177-F184 VanDerWaalsContact CE1-CD2 3.48Å; Y177-F184 HydrophobicContact CE1-CE2 4.24Å; Y177-F184 AromaticContact CE1-CG 3.77Å; Y177-F184 HydrophobicContact CE1-CG 3.77Å; Y177-S229 PolarHBondContact OH-O 2.93Å; Y177-F230 HydrophobicContact CD1-CE1 4.32Å; Y177-F230 AromaticContact CE1-CD1 3.57Å; Y177-F230 HydrophobicContact CE1-CD1 3.57Å; Y177-F230 AromaticContact CE1-CE1 3.6Å; Y177-F230 HydrophobicContact CE1-CE1 3.6Å; Y177-F230 AromaticContact CZ-CD1 3.63Å; Y177-F230 WeakPolarHBondContact OH-CA 3.43Å; Y177-F230 VanDerWaalsContact OH-CD1 3.27Å; Y177-F230 WeakPolarHBondContact OH-CD1 3.35Å; Y177-P403 HydrophobicContact CD2-CG 4.05Å; Y177-P403 HydrophobicContact CE2-CB 4.44Å; Y177-P403 HydrophobicContact CE2-CG 3.82Å
178	M	97	Very high	97.3	Very high	46 Å²	46	39.6 Å²	39.6	23%	0.227	21%	0.209	C	C	.	.	H	α-helix	trans	-55.8	-35.8	175.1	-169.6	77.7	72	0	0	111.8	N174 E176 F184 Y185 V188 I220	N174-M178 WeakPolarHBondContact O-CB 3.42Å; N174-M178 PolarHBondContact O-N 3.07Å; N174-M178 VanDerWaalsContact O-N 3.12Å; E176-M178 PolarHBondContact O-N 2.98Å; M178-F184 HydrophobicContact CE-CD1 3.79Å; M178-F184 HydrophobicContact CE-CE1 3.62Å; M178-F184 HydrophobicContact SD-CD1 3.63Å; M178-F184 HydrophobicContact SD-CE1 4.12Å; M178-Y185 HydrophobicContact CG-CD2 4.5Å; M178-Y185 HydrophobicContact SD-CD2 3.58Å; M178-Y185 VanDerWaalsContact SD-CD2 3.58Å; M178-Y185 HydrophobicContact SD-CG 4.04Å; M178-V188 HydrophobicContact CE-CG2 4.23Å; M178-I220 HydrophobicContact CE-CD1 4.27Å; M178-I220 HydrophobicContact CE-CG1 4.26Å; M178-I220 HydrophobicContact CE-CG2 4.11Å
179	G	93.9	Very high	97.5	Very high	71 Å²	71	40.9 Å²	40.9	73%	0.732	22%	0.22	S	C	*	.	H	α-helix	trans	-75	-20.7	177.5	0	0	0	0	0	114.5	E176 Y177	E176-G179 PolarHBondContact O-N 2.86Å; Y177-G179 PolarHBondContact O-N 3.43Å
180	T	95.2	Very high	97.5	Very high	95 Å²	95	44.3 Å²	44.3	58%	0.583	24%	0.236	S	C	*	.	H	α-helix	trans	-106.8	-18.2	-175.3	63.9	0	0	0	0	114.8	E176 Y177	E176-T180 PolarHBondContact O-N 2.96Å; Y177-T180 PolarHBondContact O-N 2.77Å; Y177-T180 PolarHBondContact O-OG1 2.92Å; Y177-T180 VanDerWaalsContact O-OG1 3.09Å
181	C	96.5	Very high	97.5	Very high	7 Å²	7	44.3 Å²	44.3	5%	0.047	24%	0.235	C	C	.	.			trans	-124.5	98.1	-176.2	-175.2	0	0	0	0	111.8	Y177 D183 F184	Y177-C181 HydrophobicContact CD1-CB 4.4Å; Y177-C181 HydrophobicContact CD2-CB 4.05Å; Y177-C181 HydrophobicContact CE1-CB 3.91Å; Y177-C181 HydrophobicContact CE2-CB 3.51Å; Y177-C181 HydrophobicContact CG-CB 4.46Å; Y177-C181 VanDerWaalsContact CZ-CB 3.42Å; Y177-C181 PolarHBondContact O-N 3.26Å; Y177-C181 PolarHBondContact OH-SG 2.89Å; C181-D183 VanDerWaalsContact C-N 3.25Å; C181-D183 PolarHBondContact O-N 3.05Å; C181-F184 HydrophobicContact CB-CB 4.13Å; C181-F184 WeakPolarHBondContact O-CB 3.46Å; C181-F184 PolarHBondContact O-N 2.99Å
182	P	95.9	Very high	97.5	Very high	76 Å²	76	47.5 Å²	47.5	49%	0.494	25%	0.25	S	S	.	.	H	α-helix	trans	-58.1	-34.6	178.8	-26.7	35.6	0	0	0	114	F184 Y185 R186	P182-F184 VanDerWaalsContact C-N 3.32Å; P182-F184 PolarHBondContact O-N 2.99Å; P182-Y185 PolarHBondContact O-N 3.07Å; P182-R186 WeakPolarHBondContact O-CG 3.12Å; P182-R186 PolarHBondContact O-N 3.25Å
183	D	96.5	Very high	97.5	Very high	54 Å²	54	56.9 Å²	56.9	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-68.6	-29.9	-178.7	-66.4	-70.5	0	0	0	113.3	C181 R186 T187 P231	C181-D183 VanDerWaalsContact C-N 3.25Å; C181-D183 PolarHBondContact O-N 3.05Å; D183-R186 IonicContact OD1-CZ 3.81Å; D183-R186 IonicContact OD1-NH1 2.7Å; D183-R186 PolarHBondContact OD1-NH1 2.93Å; D183-R186 IonicContact OD2-NH1 2.71Å; D183-R186 PolarHBondContact OD2-NH1 3.24Å; D183-T187 WeakPolarHBondContact O-CB 3.26Å; D183-T187 PolarHBondContact O-N 3.19Å; D183-T187 PolarHBondContact O-OG1 3.3Å; D183-P231 HydrophobicContact CB-CG 4.06Å
184	F	98.1	Very high	97.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-51.4	170.6	-168.7	-94.4	0	0	0	110.2	F172 Y177 M178 C181 P182 R186 T187 V188 I220 A223 P224 F230	F172-F184 AromaticContact CE2-CE2 3.99Å; F172-F184 HydrophobicContact CE2-CE2 3.99Å; F172-F184 AromaticContact CE2-CZ 3.97Å; F172-F184 HydrophobicContact CE2-CZ 3.97Å; F172-F184 HydrophobicContact CZ-CE2 4.18Å; F172-F184 HydrophobicContact CZ-CZ 4.44Å; Y177-F184 HydrophobicContact CD1-CB 4.2Å; Y177-F184 HydrophobicContact CD1-CD1 4.4Å; Y177-F184 AromaticContact CD1-CD2 3.77Å; Y177-F184 HydrophobicContact CD1-CD2 3.77Å; Y177-F184 HydrophobicContact CD1-CE2 4.26Å; Y177-F184 AromaticContact CD1-CG 3.87Å; Y177-F184 HydrophobicContact CD1-CG 3.87Å; Y177-F184 HydrophobicContact CE1-CB 3.83Å; Y177-F184 AromaticContact CE1-CD2 3.48Å; Y177-F184 HydrophobicContact CE1-CD2 3.48Å; Y177-F184 VanDerWaalsContact CE1-CD2 3.48Å; Y177-F184 HydrophobicContact CE1-CE2 4.24Å; Y177-F184 AromaticContact CE1-CG 3.77Å; Y177-F184 HydrophobicContact CE1-CG 3.77Å; M178-F184 HydrophobicContact CE-CD1 3.79Å; M178-F184 HydrophobicContact CE-CE1 3.62Å; M178-F184 HydrophobicContact SD-CD1 3.63Å; M178-F184 HydrophobicContact SD-CE1 4.12Å; C181-F184 HydrophobicContact CB-CB 4.13Å; C181-F184 WeakPolarHBondContact O-CB 3.46Å; C181-F184 PolarHBondContact O-N 2.99Å; P182-F184 VanDerWaalsContact C-N 3.32Å; P182-F184 PolarHBondContact O-N 2.99Å; F184-R186 PolarHBondContact O-N 3.19Å; F184-T187 PolarHBondContact O-N 3.14Å; F184-V188 HydrophobicContact CD1-CG2 4.24Å; F184-V188 HydrophobicContact CE1-CG2 4.07Å; F184-V188 WeakPolarHBondContact O-CG2 3.47Å; F184-V188 PolarHBondContact O-N 3.18Å; F184-I220 HydrophobicContact CE1-CG2 4.25Å; F184-I220 HydrophobicContact CZ-CG2 4.5Å; F184-A223 HydrophobicContact CE2-CB 4.23Å; F184-A223 HydrophobicContact CZ-CB 4.21Å; F184-P224 HydrophobicContact CE2-CG 3.88Å; F184-P224 HydrophobicContact CZ-CG 4.04Å; F184-F230 HydrophobicContact CD2-CE1 4.3Å; F184-F230 HydrophobicContact CD2-CZ 4.43Å; F184-F230 HydrophobicContact CE2-CE1 4.29Å; F184-F230 HydrophobicContact CE2-CZ 4.15Å
185	Y	98.3	Very high	97.4	Very high	129 Å²	129	59 Å²	59	51%	0.506	30%	0.298	S	S	.	.	H	α-helix	trans	-65.9	-38.4	179.1	-174.1	-123.4	0	0	0	113	M178 P182 T187 V188 C189	M178-Y185 HydrophobicContact CG-CD2 4.5Å; M178-Y185 HydrophobicContact SD-CD2 3.58Å; M178-Y185 VanDerWaalsContact SD-CD2 3.58Å; M178-Y185 HydrophobicContact SD-CG 4.04Å; P182-Y185 PolarHBondContact O-N 3.07Å; Y185-T187 VanDerWaalsContact C-N 3.28Å; Y185-T187 PolarHBondContact O-N 3.07Å; Y185-V188 HydrophobicContact CD2-CB 4.49Å; Y185-V188 WeakPolarHBondContact O-CB 3.26Å; Y185-V188 PolarHBondContact O-N 3.39Å; Y185-C189 PolarHBondContact O-N 3.25Å; Y185-C189 PolarHBondContact O-SG 2.81Å
186	R	98	Very high	97.4	Very high	138 Å²	138	59 Å²	59	52%	0.521	30%	0.304	S	S	.	.	H	α-helix	trans	-56.7	-43.8	173	-71.7	173.7	-169.4	132.9	4.4	111.3	P182 D183 F184 C189 Q190	P182-R186 WeakPolarHBondContact O-CG 3.12Å; P182-R186 PolarHBondContact O-N 3.25Å; D183-R186 IonicContact OD1-CZ 3.81Å; D183-R186 IonicContact OD1-NH1 2.7Å; D183-R186 PolarHBondContact OD1-NH1 2.93Å; D183-R186 IonicContact OD2-NH1 2.71Å; D183-R186 PolarHBondContact OD2-NH1 3.24Å; F184-R186 PolarHBondContact O-N 3.19Å; R186-C189 PolarHBondContact O-N 3.25Å; R186-Q190 WeakPolarHBondContact O-CB 3.41Å; R186-Q190 VanDerWaalsContact O-CG 3.3Å; R186-Q190 WeakPolarHBondContact O-CG 3.47Å; R186-Q190 PolarHBondContact O-N 2.98Å
187	T	97.8	Very high	97.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-41.7	177.6	-55.6	0	0	0	0	111.6	D183 F184 Y185 C189 Q190 I191 A223 F226 Q228 S229	D183-T187 WeakPolarHBondContact O-CB 3.26Å; D183-T187 PolarHBondContact O-N 3.19Å; D183-T187 PolarHBondContact O-OG1 3.3Å; F184-T187 PolarHBondContact O-N 3.14Å; Y185-T187 VanDerWaalsContact C-N 3.28Å; Y185-T187 PolarHBondContact O-N 3.07Å; T187-C189 PolarHBondContact O-N 3.42Å; T187-Q190 WeakPolarHBondContact O-CB 3.27Å; T187-Q190 PolarHBondContact O-N 2.93Å; T187-I191 HydrophobicContact CG2-CD1 4.08Å; T187-I191 WeakPolarHBondContact O-CG1 3.32Å; T187-I191 PolarHBondContact O-N 2.82Å; T187-A223 HydrophobicContact CG2-CB 4.03Å; T187-F226 HydrophobicContact CG2-CD2 3.91Å; T187-Q228 HydrophobicContact CG2-CG 4.48Å; T187-Q228 PolarHBondContact OG1-NE2 3.48Å; T187-S229 WeakPolarHBondContact CB-OG 3.39Å; T187-S229 WeakPolarHBondContact CG2-OG 3.5Å; T187-S229 PolarHBondContact OG1-OG 2.77Å
188	V	98.6	Very high	97.4	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-56.7	-50.5	173.2	171.6	0	0	0	0	111.1	M178 F184 Y185 Q190 I191 Q192 A219 I220 A223	M178-V188 HydrophobicContact CE-CG2 4.23Å; F184-V188 HydrophobicContact CD1-CG2 4.24Å; F184-V188 HydrophobicContact CE1-CG2 4.07Å; F184-V188 WeakPolarHBondContact O-CG2 3.47Å; F184-V188 PolarHBondContact O-N 3.18Å; Y185-V188 HydrophobicContact CD2-CB 4.49Å; Y185-V188 WeakPolarHBondContact O-CB 3.26Å; Y185-V188 PolarHBondContact O-N 3.39Å; V188-Q190 VanDerWaalsContact C-N 3.33Å; V188-Q190 PolarHBondContact O-N 3.35Å; V188-I191 PolarHBondContact O-N 3.48Å; V188-Q192 HydrophobicContact CG1-CG 4.29Å; V188-Q192 WeakPolarHBondContact O-CG 3.4Å; V188-Q192 PolarHBondContact O-N 3.11Å; V188-A219 HydrophobicContact CG1-CB 4.16Å; V188-I220 HydrophobicContact CG1-CG1 3.99Å; V188-I220 HydrophobicContact CG2-CG1 4.35Å; V188-A223 HydrophobicContact CG2-CB 3.61Å
189	C	98.4	Very high	97.4	Very high	46 Å²	46	62 Å²	62	31%	0.311	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-38.1	178.8	-67.6	0	0	0	0	112.8	Y185 R186 T187 I191 Q192 R193	Y185-C189 PolarHBondContact O-N 3.25Å; Y185-C189 PolarHBondContact O-SG 2.81Å; R186-C189 PolarHBondContact O-N 3.25Å; T187-C189 PolarHBondContact O-N 3.42Å; C189-I191 VanDerWaalsContact C-N 3.31Å; C189-I191 PolarHBondContact O-N 2.89Å; C189-Q192 PolarHBondContact O-N 3.18Å; C189-R193 PolarHBondContact O-N 2.82Å
190	Q	98.3	Very high	97.4	Very high	72 Å²	72	58.9 Å²	58.9	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-42.1	174.8	-79.2	175.5	-20.8	0	0	111.7	R186 T187 V188 L194 L267	R186-Q190 WeakPolarHBondContact O-CB 3.41Å; R186-Q190 VanDerWaalsContact O-CG 3.3Å; R186-Q190 WeakPolarHBondContact O-CG 3.47Å; R186-Q190 PolarHBondContact O-N 2.98Å; T187-Q190 WeakPolarHBondContact O-CB 3.27Å; T187-Q190 PolarHBondContact O-N 2.93Å; V188-Q190 VanDerWaalsContact C-N 3.33Å; V188-Q190 PolarHBondContact O-N 3.35Å; Q190-L194 WeakPolarHBondContact O-CG 3.48Å; Q190-L267 HydrophobicContact CB-CD1 4.41Å; Q190-L267 HydrophobicContact CB-CD2 3.81Å; Q190-L267 HydrophobicContact CG-CD2 4.45Å
191	I	98.6	Very high	97.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70	-46.8	176.9	-64.2	162.2	0	0	0	110.9	T187 V188 C189 R193 L194 V195 A219 A222 A223 F226 V263 L267	T187-I191 HydrophobicContact CG2-CD1 4.08Å; T187-I191 WeakPolarHBondContact O-CG1 3.32Å; T187-I191 PolarHBondContact O-N 2.82Å; V188-I191 PolarHBondContact O-N 3.48Å; C189-I191 VanDerWaalsContact C-N 3.31Å; C189-I191 PolarHBondContact O-N 2.89Å; I191-R193 PolarHBondContact O-N 2.94Å; I191-L194 PolarHBondContact O-N 3.12Å; I191-V195 HydrophobicContact CG2-CG2 4.21Å; I191-V195 PolarHBondContact O-N 2.87Å; I191-A219 HydrophobicContact CB-CB 4.08Å; I191-A219 HydrophobicContact CG2-CB 3.75Å; I191-A222 HydrophobicContact CD1-CB 3.9Å; I191-A222 HydrophobicContact CG2-CB 4.29Å; I191-A223 HydrophobicContact CD1-CB 4.06Å; I191-F226 HydrophobicContact CD1-CD2 4.18Å; I191-F226 HydrophobicContact CD1-CE2 3.76Å; I191-F226 HydrophobicContact CG1-CE2 4.29Å; I191-V263 HydrophobicContact CG1-CG2 4.4Å; I191-V263 HydrophobicContact CG2-CG2 4.21Å; I191-L267 HydrophobicContact CG1-CD1 3.92Å
192	Q	98.5	Very high	97.3	Very high	68 Å²	68	60 Å²	60	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-55.2	-38.1	178.3	-73.8	175.3	-24.4	0	0	112.1	V188 C189 L194 V195 A219	V188-Q192 HydrophobicContact CG1-CG 4.29Å; V188-Q192 WeakPolarHBondContact O-CG 3.4Å; V188-Q192 PolarHBondContact O-N 3.11Å; C189-Q192 PolarHBondContact O-N 3.18Å; Q192-L194 PolarHBondContact O-N 3.2Å; Q192-V195 PolarHBondContact O-N 2.83Å; Q192-A219 HydrophobicContact CG-CB 3.42Å; Q192-A219 VanDerWaalsContact CG-CB 3.42Å
193	R	98.2	Very high	97.2	Very high	199 Å²	199	57.3 Å²	57.3	75%	0.751	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.3	176	-171	176.8	68.8	172.8	1.7	113.4	C189 I191	C189-R193 PolarHBondContact O-N 2.82Å; I191-R193 PolarHBondContact O-N 2.94Å
194	L	98.2	Very high	97.1	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.094	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-13.2	-174	-61.4	179.3	0	0	0	113.8	Q190 I191 Q192 V263 R266 L267	Q190-L194 WeakPolarHBondContact O-CG 3.48Å; I191-L194 PolarHBondContact O-N 3.12Å; Q192-L194 PolarHBondContact O-N 3.2Å; L194-V263 HydrophobicContact CB-CB 4.42Å; L194-V263 HydrophobicContact CB-CG1 3.98Å; L194-V263 HydrophobicContact CD1-CB 4.21Å; L194-R266 HydrophobicContact CD1-CB 3.79Å; L194-R266 HydrophobicContact CD2-CB 4.48Å; L194-R266 VanDerWaalsContact CD2-NH2 3.35Å; L194-R266 PolarHBondContact O-NH1 2.88Å; L194-L267 HydrophobicContact CD1-CD1 4.28Å; L194-L267 HydrophobicContact CD1-CD2 3.44Å; L194-L267 VanDerWaalsContact CD1-CD2 3.44Å; L194-L267 HydrophobicContact CD1-CG 3.58Å; L194-L267 HydrophobicContact CG-CD2 4.46Å
195	V	97.8	Very high	96.9	Very high	28 Å²	28	58.1 Å²	58.1	17%	0.17	28%	0.28	C	S	.	.	S	Bend	trans	-109	114.9	-179.8	-177	0	0	0	0	109.4	I191 Q192 Q199 M259 V263	I191-V195 HydrophobicContact CG2-CG2 4.21Å; I191-V195 PolarHBondContact O-N 2.87Å; Q192-V195 PolarHBondContact O-N 2.83Å; V195-Q199 HydrophobicContact CG1-CB 4.29Å; V195-M259 HydrophobicContact CB-SD 4.39Å; V195-M259 HydrophobicContact CG1-CG 4.33Å; V195-M259 HydrophobicContact CG1-SD 3.78Å; V195-M259 HydrophobicContact CG2-CE 4.5Å; V195-M259 HydrophobicContact CG2-CG 3.93Å; V195-M259 HydrophobicContact CG2-SD 3.78Å; V195-V263 HydrophobicContact CG2-CG1 3.63Å
196	T	97.3	Very high	96.7	Very high	76 Å²	76	52.3 Å²	52.3	47%	0.466	26%	0.257	S	S	.	.			trans	-78.6	155.4	176.1	65.5	0	0	0	0	111.2	N198 Q199 A200	T196-N198 PolarHBondContact O-N 3.33Å; T196-Q199 WeakPolarHBondContact O-CB 3.18Å; T196-Q199 PolarHBondContact O-N 3Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.32Å; T196-Q199 PolarHBondContact OG1-N 2.71Å; T196-Q199 PolarHBondContact OG1-OE1 3.27Å; T196-A200 PolarHBondContact O-N 3.16Å
197	Y	97	Very high	96.6	Very high	72 Å²	72	47.9 Å²	47.9	28%	0.282	25%	0.247	S	C	.	.	H	α-helix	trans	-55.9	-38.2	171.7	172.5	-125.8	0	0	0	112.6	Q199 A200 R201 F206 S207 D208 I215	Y197-Q199 VanDerWaalsContact C-N 3.3Å; Y197-Q199 PolarHBondContact O-N 2.94Å; Y197-A200 PolarHBondContact O-N 2.9Å; Y197-A200 VanDerWaalsContact O-N 3.16Å; Y197-R201 HydrophobicContact CE2-CB 4.42Å; Y197-R201 WeakPolarHBondContact O-CB 3.14Å; Y197-R201 PolarHBondContact O-N 2.53Å; Y197-F206 HydrophobicContact CE2-CB 4.48Å; Y197-S207 PolarHBondContact OH-O 3.42Å; Y197-D208 WeakPolarHBondContact CE1-OD1 3.32Å; Y197-D208 VanDerWaalsContact CZ-OD1 3.25Å; Y197-D208 PolarHBondContact OH-N 2.96Å; Y197-D208 PolarHBondContact OH-OD1 3.23Å; Y197-I215 HydrophobicContact CD2-CD1 4.2Å; Y197-I215 HydrophobicContact CD2-CG1 4.47Å; Y197-I215 HydrophobicContact CD2-CG2 3.67Å; Y197-I215 HydrophobicContact CE2-CD1 3.81Å; Y197-I215 HydrophobicContact CE2-CG1 4.19Å; Y197-I215 HydrophobicContact CE2-CG2 4.24Å
198	N	97	Very high	96.5	Very high	89 Å²	89	54.2 Å²	54.2	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-38.8	175.8	-77.1	-29.7	0	0	0	112.7	T196 R201 A202	T196-N198 PolarHBondContact O-N 3.33Å; N198-R201 PolarHBondContact OD1-NH2 2.92Å; N198-R201 VanDerWaalsContact OD1-NH2 3.09Å; N198-A202 WeakPolarHBondContact O-CB 3.49Å; N198-A202 PolarHBondContact O-N 3.38Å
199	Q	96.5	Very high	96.4	Very high	61 Å²	61	59.2 Å²	59.2	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-68.2	-44.8	174.3	-72.1	165.6	-58.5	0	0	110.9	V195 T196 Y197 R201 A202 I203	V195-Q199 HydrophobicContact CG1-CB 4.29Å; T196-Q199 WeakPolarHBondContact O-CB 3.18Å; T196-Q199 PolarHBondContact O-N 3Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.32Å; T196-Q199 PolarHBondContact OG1-N 2.71Å; T196-Q199 PolarHBondContact OG1-OE1 3.27Å; Y197-Q199 VanDerWaalsContact C-N 3.3Å; Y197-Q199 PolarHBondContact O-N 2.94Å; Q199-R201 PolarHBondContact O-N 3.01Å; Q199-A202 PolarHBondContact O-N 2.92Å; Q199-I203 WeakPolarHBondContact O-CB 3.22Å; Q199-I203 VanDerWaalsContact O-CG1 3.23Å; Q199-I203 WeakPolarHBondContact O-CG1 3.48Å; Q199-I203 PolarHBondContact O-N 3.5Å
200	A	95.1	Very high	96.3	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-46.2	177.3	0	0	0	0	0	111.4	T196 Y197 A202 I203 F204 F206	T196-A200 PolarHBondContact O-N 3.16Å; Y197-A200 PolarHBondContact O-N 2.9Å; Y197-A200 VanDerWaalsContact O-N 3.16Å; A200-A202 PolarHBondContact O-N 3.34Å; A200-I203 PolarHBondContact O-N 3.18Å; A200-F204 HydrophobicContact CB-CD2 4.45Å; A200-F204 VanDerWaalsContact O-CB 3.27Å; A200-F204 WeakPolarHBondContact O-CB 3.01Å; A200-F204 WeakPolarHBondContact O-CD2 3.45Å; A200-F204 PolarHBondContact O-N 3.36Å; A200-F206 HydrophobicContact CB-CD2 4.07Å; A200-F206 HydrophobicContact CB-CE2 4.49Å
201	R	95	Very high	96.3	Very high	112 Å²	112	58.2 Å²	58.2	42%	0.423	31%	0.314	S	S	.	.	H	α-helix	trans	-57.2	-46.3	172.9	173.2	171.8	75.5	-172.5	0.9	112.4	Y197 N198 Q199 I203 G205 F206	Y197-R201 HydrophobicContact CE2-CB 4.42Å; Y197-R201 WeakPolarHBondContact O-CB 3.14Å; Y197-R201 PolarHBondContact O-N 2.53Å; N198-R201 PolarHBondContact OD1-NH2 2.92Å; N198-R201 VanDerWaalsContact OD1-NH2 3.09Å; Q199-R201 PolarHBondContact O-N 3.01Å; R201-I203 PolarHBondContact O-N 3.44Å; R201-G205 VanDerWaalsContact O-CA 3.25Å; R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 3.02Å; R201-F206 WeakPolarHBondContact CG-O 3.49Å
202	A	94.3	Very high	96.3	Very high	14 Å²	14	65.2 Å²	65.2	12%	0.116	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-38.5	-178.7	0	0	0	0	0	112.7	I10 N198 Q199 A200	I10-A202 HydrophobicContact CB-CB 4.37Å; I10-A202 HydrophobicContact CG2-CB 4.36Å; I10-A202 VanDerWaalsContact CG2-O 3.29Å; I10-A202 WeakPolarHBondContact CG2-O 3.48Å; N198-A202 WeakPolarHBondContact O-CB 3.49Å; N198-A202 PolarHBondContact O-N 3.38Å; Q199-A202 PolarHBondContact O-N 2.92Å; A200-A202 PolarHBondContact O-N 3.34Å
203	I	93.5	Very high	96.2	Very high	20 Å²	20	62.8 Å²	62.8	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-82.1	-37.6	-175.5	-64.1	167.2	0	0	0	112	I10 L14 Q199 A200 R201 P255 M259	I10-I203 HydrophobicContact CD1-CG1 4.22Å; I10-I203 HydrophobicContact CG2-CG1 4.07Å; L14-I203 WeakPolarHBondContact CD1-O 3.35Å; Q199-I203 WeakPolarHBondContact O-CB 3.22Å; Q199-I203 VanDerWaalsContact O-CG1 3.23Å; Q199-I203 WeakPolarHBondContact O-CG1 3.48Å; Q199-I203 PolarHBondContact O-N 3.5Å; A200-I203 PolarHBondContact O-N 3.18Å; R201-I203 PolarHBondContact O-N 3.44Å; I203-P255 HydrophobicContact CG2-CB 3.73Å; I203-M259 HydrophobicContact CD1-CB 4.03Å; I203-M259 HydrophobicContact CD1-CG 4.18Å
204	F	94.7	Very high	96.2	Very high	11 Å²	11	55.4 Å²	55.4	5%	0.048	32%	0.317	C	S	.	.	H	α-helix	trans	-116.2	-4.9	-167.4	-64.2	-65.1	0	0	0	113.9	W25 A200 F206 P218 P255 Y256 M259	W25-F204 HydrophobicContact CH2-CB 3.79Å; W25-F204 AromaticContact CH2-CD1 3.84Å; W25-F204 HydrophobicContact CH2-CD1 3.84Å; W25-F204 HydrophobicContact CH2-CG 4.2Å; W25-F204 HydrophobicContact CZ3-CB 4.22Å; W25-F204 HydrophobicContact CZ3-CD1 4.44Å; W25-F204 WeakPolarHBondContact CZ3-O 3.43Å; A200-F204 HydrophobicContact CB-CD2 4.45Å; A200-F204 VanDerWaalsContact O-CB 3.27Å; A200-F204 WeakPolarHBondContact O-CB 3.01Å; A200-F204 WeakPolarHBondContact O-CD2 3.45Å; A200-F204 PolarHBondContact O-N 3.36Å; F204-F206 VanDerWaalsContact C-N 3.26Å; F204-F206 HydrophobicContact CB-CD1 4.33Å; F204-F206 HydrophobicContact CB-CD2 3.76Å; F204-F206 HydrophobicContact CB-CE1 4.09Å; F204-F206 HydrophobicContact CB-CE2 3.51Å; F204-F206 HydrophobicContact CB-CG 4.17Å; F204-F206 HydrophobicContact CB-CZ 3.68Å; F204-F206 HydrophobicContact CD2-CD2 4.42Å; F204-F206 AromaticContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CZ 4.47Å; F204-F206 HydrophobicContact CG-CD2 4.47Å; F204-F206 AromaticContact CG-CE2 3.86Å; F204-F206 HydrophobicContact CG-CE2 3.86Å; F204-F206 HydrophobicContact CG-CZ 4.09Å; F204-F206 PolarHBondContact O-N 3.46Å; F204-P218 HydrophobicContact CD2-CB 4.39Å; F204-P218 HydrophobicContact CD2-CG 3.77Å; F204-P218 HydrophobicContact CE2-CB 3.56Å; F204-P218 HydrophobicContact CE2-CG 3.43Å; F204-P218 VanDerWaalsContact CE2-CG 3.43Å; F204-P218 HydrophobicContact CG-CG 4.46Å; F204-P218 HydrophobicContact CZ-CB 3.75Å; F204-P218 HydrophobicContact CZ-CG 3.85Å; F204-P255 HydrophobicContact CD1-CB 4.43Å; F204-P255 HydrophobicContact CE1-CB 3.97Å; F204-Y256 HydrophobicContact CD1-CE1 4.35Å; F204-Y256 AromaticContact CE1-CD1 3.55Å; F204-Y256 HydrophobicContact CE1-CD1 3.55Å; F204-Y256 HydrophobicContact CE1-CD2 4.2Å; F204-Y256 AromaticContact CE1-CE1 3.56Å; F204-Y256 HydrophobicContact CE1-CE1 3.56Å; F204-Y256 HydrophobicContact CE1-CE2 4.23Å; F204-Y256 AromaticContact CE1-CG 3.88Å; F204-Y256 HydrophobicContact CE1-CG 3.88Å; F204-Y256 AromaticContact CE1-CZ 3.92Å; F204-Y256 AromaticContact CZ-CD1 3.54Å; F204-Y256 HydrophobicContact CZ-CD1 3.54Å; F204-Y256 AromaticContact CZ-CE1 3.82Å; F204-Y256 HydrophobicContact CZ-CE1 3.82Å; F204-Y256 HydrophobicContact CZ-CG 4.11Å; F204-M259 HydrophobicContact CE2-SD 4.01Å; F204-M259 HydrophobicContact CZ-SD 4.41Å
205	G	94	Very high	96.2	Very high	59 Å²	59	56.4 Å²	56.4	61%	0.608	32%	0.322	S	S	*	.			trans	69.6	19.5	-178.8	0	0	0	0	0	114.4	R201	R201-G205 VanDerWaalsContact O-CA 3.25Å; R201-G205 WeakPolarHBondContact O-CA 3.47Å; R201-G205 PolarHBondContact O-N 3.02Å
206	F	94.3	Very high	96.2	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.035	33%	0.328	C	S	.	.			trans	-63.5	146.1	177.2	-63.2	-41.2	0	0	0	112.5	W25 W140 Y197 A200 R201 F204 K214 I215 P218	W25-F206 AromaticContact CH2-CE1 3.87Å; W25-F206 HydrophobicContact CH2-CE1 3.87Å; W25-F206 HydrophobicContact CH2-CZ 4.04Å; W25-F206 HydrophobicContact CZ2-CE1 4.09Å; W25-F206 HydrophobicContact CZ2-CZ 4.25Å; W140-F206 HydrophobicContact CH2-CE1 4.48Å; W140-F206 HydrophobicContact CH2-CZ 4.24Å; W140-F206 AromaticContact CZ2-CE1 3.73Å; W140-F206 HydrophobicContact CZ2-CE1 3.73Å; W140-F206 AromaticContact CZ2-CZ 3.85Å; W140-F206 HydrophobicContact CZ2-CZ 3.85Å; Y197-F206 HydrophobicContact CE2-CB 4.48Å; A200-F206 HydrophobicContact CB-CD2 4.07Å; A200-F206 HydrophobicContact CB-CE2 4.49Å; R201-F206 WeakPolarHBondContact CG-O 3.49Å; F204-F206 VanDerWaalsContact C-N 3.26Å; F204-F206 HydrophobicContact CB-CD1 4.33Å; F204-F206 HydrophobicContact CB-CD2 3.76Å; F204-F206 HydrophobicContact CB-CE1 4.09Å; F204-F206 HydrophobicContact CB-CE2 3.51Å; F204-F206 HydrophobicContact CB-CG 4.17Å; F204-F206 HydrophobicContact CB-CZ 3.68Å; F204-F206 HydrophobicContact CD2-CD2 4.42Å; F204-F206 AromaticContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CE2 3.84Å; F204-F206 HydrophobicContact CD2-CZ 4.47Å; F204-F206 HydrophobicContact CG-CD2 4.47Å; F204-F206 AromaticContact CG-CE2 3.86Å; F204-F206 HydrophobicContact CG-CE2 3.86Å; F204-F206 HydrophobicContact CG-CZ 4.09Å; F204-F206 PolarHBondContact O-N 3.46Å; F206-K214 HydrophobicContact CE1-CB 4.36Å; F206-K214 WeakPolarHBondContact CZ-O 3.44Å; F206-I215 HydrophobicContact CB-CG1 4.42Å; F206-I215 HydrophobicContact CD2-CG1 4.45Å; F206-I215 HydrophobicContact CG-CG1 4.48Å; F206-P218 HydrophobicContact CE2-CG 3.99Å; F206-P218 HydrophobicContact CZ-CG 4.41Å
207	S	95.3	Very high	96.3	Very high	45 Å²	45	53.5 Å²	53.5	32%	0.315	31%	0.306	S	S	.	.			trans	-114.9	167.6	176.6	70.1	0	0	0	0	111.7	Y197 S209 D210	Y197-S207 PolarHBondContact OH-O 3.42Å; S207-S209 PolarHBondContact O-N 3.21Å; S207-S209 PolarHBondContact OG-N 3.36Å; S207-S209 PolarHBondContact OG-OG 3.34Å; S207-D210 PolarHBondContact N-OD2 3.1Å; S207-D210 PolarHBondContact O-N 3.25Å; S207-D210 PolarHBondContact OG-OD2 3.27Å; S207-D210 VanDerWaalsContact OG-OD2 3.09Å
208	D	95.3	Very high	96.4	Very high	135 Å²	135	50.2 Å²	50.2	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.9	175.2	-58.9	-19.9	0	0	0	112.4	Y197	Y197-D208 WeakPolarHBondContact CE1-OD1 3.32Å; Y197-D208 VanDerWaalsContact CZ-OD1 3.25Å; Y197-D208 PolarHBondContact OH-N 2.96Å; Y197-D208 PolarHBondContact OH-OD1 3.23Å
209	S	96.4	Very high	96.5	Very high	107 Å²	107	46.3 Å²	46.3	75%	0.748	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-12.4	175.7	73.8	0	0	0	0	114	S207	S207-S209 PolarHBondContact O-N 3.21Å; S207-S209 PolarHBondContact OG-N 3.36Å; S207-S209 PolarHBondContact OG-OG 3.34Å
210	D	97.1	Very high	96.6	Very high	37 Å²	37	44.4 Å²	44.4	20%	0.198	26%	0.264	C	S	.	.	S	Bend	trans	-75	144	175.4	-74.9	-70.5	0	0	0	111.3	S207 K214 I215	S207-D210 PolarHBondContact N-OD2 3.1Å; S207-D210 PolarHBondContact O-N 3.25Å; S207-D210 PolarHBondContact OG-OD2 3.27Å; S207-D210 VanDerWaalsContact OG-OD2 3.09Å; D210-K214 HydrophobicContact CB-CD 4.24Å; D210-K214 WeakPolarHBondContact OD1-CD 3.12Å; D210-K214 IonicContact OD1-NZ 3.09Å; D210-K214 PolarHBondContact OD1-NZ 3.16Å; D210-K214 VanDerWaalsContact OD1-NZ 3.09Å; D210-I215 HydrophobicContact CB-CG1 4.43Å
211	C	97.7	Very high	96.7	Very high	60 Å²	60	44.7 Å²	44.7	41%	0.405	27%	0.265	S	S	.	.			trans	-67.9	149.4	178.9	72.3	0	0	0	0	111.3	G213 K214 I215	C211-G213 PolarHBondContact O-N 3.01Å; C211-K214 WeakPolarHBondContact O-CB 3.47Å; C211-K214 PolarHBondContact O-N 3.48Å; C211-I215 PolarHBondContact O-N 2.77Å
212	I	98.1	Very high	96.9	Very high	147 Å²	147	39.4 Å²	39.4	75%	0.754	25%	0.245	S	C	*	.	H	α-helix	trans	-58	-23.8	-178.7	55.7	164	0	0	0	113.8	S216	I212-S216 WeakPolarHBondContact O-CB 3.25Å; I212-S216 PolarHBondContact O-N 2.95Å; I212-S216 VanDerWaalsContact O-N 3.16Å; I212-S216 PolarHBondContact O-OG 3.23Å
213	G	98.1	Very high	97.1	Very high	17 Å²	17	38.7 Å²	38.7	18%	0.175	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-45.7	172.9	0	0	0	0	0	112.1	C211 I215 S216 F217	C211-G213 PolarHBondContact O-N 3.01Å; G213-I215 PolarHBondContact O-N 3.38Å; G213-S216 PolarHBondContact O-N 3.25Å; G213-S216 PolarHBondContact O-OG 2.9Å; G213-F217 WeakPolarHBondContact O-CB 3.49Å; G213-F217 PolarHBondContact O-N 3.1Å
214	K	98	Very high	97.4	Very high	44 Å²	44	37.8 Å²	37.8	19%	0.191	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-45.1	175.8	-71.5	-177.2	-178.6	180	0	111.9	L139 W140 F206 D210 C211 S216 F217 P218	L139-K214 HydrophobicContact CB-CG 4.34Å; L139-K214 VanDerWaalsContact O-CE 3.29Å; L139-K214 WeakPolarHBondContact O-CE 3.33Å; W140-K214 HydrophobicContact CD2-CD 4.19Å; W140-K214 HydrophobicContact CD2-CG 3.85Å; W140-K214 HydrophobicContact CE3-CG 3.82Å; W140-K214 VanDerWaalsContact CH2-CA 3.49Å; W140-K214 HydrophobicContact CH2-CB 3.7Å; W140-K214 HydrophobicContact CH2-CG 3.82Å; W140-K214 WeakPolarHBondContact CH2-O 3.17Å; W140-K214 HydrophobicContact CZ2-CB 3.82Å; W140-K214 HydrophobicContact CZ2-CD 4.23Å; W140-K214 HydrophobicContact CZ2-CG 3.81Å; W140-K214 HydrophobicContact CZ3-CB 4.1Å; W140-K214 HydrophobicContact CZ3-CG 3.81Å; F206-K214 HydrophobicContact CE1-CB 4.36Å; F206-K214 WeakPolarHBondContact CZ-O 3.44Å; D210-K214 HydrophobicContact CB-CD 4.24Å; D210-K214 WeakPolarHBondContact OD1-CD 3.12Å; D210-K214 IonicContact OD1-NZ 3.09Å; D210-K214 PolarHBondContact OD1-NZ 3.16Å; D210-K214 VanDerWaalsContact OD1-NZ 3.09Å; C211-K214 WeakPolarHBondContact O-CB 3.47Å; C211-K214 PolarHBondContact O-N 3.48Å; K214-S216 PolarHBondContact O-N 2.89Å; K214-F217 PolarHBondContact O-N 3.14Å; K214-P218 WeakPolarHBondContact O-CD 3.47Å
215	I	98.1	Very high	97.6	Very high	39 Å²	39	37.4 Å²	37.4	20%	0.2	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-35.6	-178.1	-65.3	170.6	0	0	0	111.5	Y197 F206 D210 C211 G213	Y197-I215 HydrophobicContact CD2-CD1 4.2Å; Y197-I215 HydrophobicContact CD2-CG1 4.47Å; Y197-I215 HydrophobicContact CD2-CG2 3.67Å; Y197-I215 HydrophobicContact CE2-CD1 3.81Å; Y197-I215 HydrophobicContact CE2-CG1 4.19Å; Y197-I215 HydrophobicContact CE2-CG2 4.24Å; F206-I215 HydrophobicContact CB-CG1 4.42Å; F206-I215 HydrophobicContact CD2-CG1 4.45Å; F206-I215 HydrophobicContact CG-CG1 4.48Å; D210-I215 HydrophobicContact CB-CG1 4.43Å; C211-I215 PolarHBondContact O-N 2.77Å; G213-I215 PolarHBondContact O-N 3.38Å
216	S	98.3	Very high	97.7	Very high	43 Å²	43	35 Å²	35	30%	0.301	21%	0.206	S	C	.	.	H	α-helix	trans	-95.3	-14.7	-175.3	60.2	0	0	0	0	114.6	I212 G213 K214 P218 A219	I212-S216 WeakPolarHBondContact O-CB 3.25Å; I212-S216 PolarHBondContact O-N 2.95Å; I212-S216 VanDerWaalsContact O-N 3.16Å; I212-S216 PolarHBondContact O-OG 3.23Å; G213-S216 PolarHBondContact O-N 3.25Å; G213-S216 PolarHBondContact O-OG 2.9Å; K214-S216 PolarHBondContact O-N 2.89Å; S216-P218 VanDerWaalsContact C-CD 3.4Å; S216-A219 PolarHBondContact O-N 2.94Å
217	F	98.7	Very high	97.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.4	178.7	174	-99.6	0	0	0	115.3	T133 E136 L139 W140 G213 K214 A219 I220 Q221 Y256	T133-F217 HydrophobicContact CG2-CE2 4.27Å; T133-F217 HydrophobicContact CG2-CZ 3.83Å; E136-F217 HydrophobicContact CB-CD2 4.06Å; E136-F217 HydrophobicContact CB-CE1 4.02Å; E136-F217 HydrophobicContact CB-CE2 3.51Å; E136-F217 HydrophobicContact CB-CZ 3.49Å; E136-F217 VanDerWaalsContact CB-CZ 3.49Å; E136-F217 HydrophobicContact CG-CD1 4.07Å; E136-F217 HydrophobicContact CG-CD2 4.46Å; E136-F217 HydrophobicContact CG-CE1 3.62Å; E136-F217 HydrophobicContact CG-CE2 4.06Å; E136-F217 HydrophobicContact CG-CG 4.48Å; E136-F217 HydrophobicContact CG-CZ 3.62Å; L139-F217 HydrophobicContact CD1-CB 4.49Å; W140-F217 HydrophobicContact CH2-CB 3.79Å; W140-F217 AromaticContact CH2-CD1 3.78Å; W140-F217 HydrophobicContact CH2-CD1 3.78Å; W140-F217 AromaticContact CH2-CG 3.99Å; W140-F217 HydrophobicContact CH2-CG 3.99Å; W140-F217 HydrophobicContact CZ3-CB 3.78Å; W140-F217 AromaticContact CZ3-CD1 3.88Å; W140-F217 HydrophobicContact CZ3-CD1 3.88Å; W140-F217 AromaticContact CZ3-CG 3.79Å; W140-F217 HydrophobicContact CZ3-CG 3.79Å; G213-F217 WeakPolarHBondContact O-CB 3.49Å; G213-F217 PolarHBondContact O-N 3.1Å; K214-F217 PolarHBondContact O-N 3.14Å; F217-A219 PolarHBondContact O-N 2.88Å; F217-I220 HydrophobicContact CD2-CB 4.16Å; F217-I220 HydrophobicContact CD2-CD1 4.23Å; F217-I220 HydrophobicContact CE2-CB 4.28Å; F217-I220 HydrophobicContact CE2-CG2 4.42Å; F217-I220 WeakPolarHBondContact O-CA 3.37Å; F217-I220 VanDerWaalsContact O-CB 3.31Å; F217-I220 WeakPolarHBondContact O-CB 3.42Å; F217-I220 PolarHBondContact O-N 3.19Å; F217-Q221 HydrophobicContact CE1-CB 4.13Å; F217-Q221 HydrophobicContact CZ-CB 4.12Å; F217-Q221 PolarHBondContact O-N 3.48Å; F217-Y256 HydrophobicContact CD1-CE1 4.14Å; F217-Y256 HydrophobicContact CE1-CE1 4.07Å
218	P	98.7	Very high	97.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-51.8	-31.3	179.2	-30.3	35.6	0	0	0	114.5	F204 F206 K214 S216 I220 Q221 A222 Y256 M259	F204-P218 HydrophobicContact CD2-CB 4.39Å; F204-P218 HydrophobicContact CD2-CG 3.77Å; F204-P218 HydrophobicContact CE2-CB 3.56Å; F204-P218 HydrophobicContact CE2-CG 3.43Å; F204-P218 VanDerWaalsContact CE2-CG 3.43Å; F204-P218 HydrophobicContact CG-CG 4.46Å; F204-P218 HydrophobicContact CZ-CB 3.75Å; F204-P218 HydrophobicContact CZ-CG 3.85Å; F206-P218 HydrophobicContact CE2-CG 3.99Å; F206-P218 HydrophobicContact CZ-CG 4.41Å; K214-P218 WeakPolarHBondContact O-CD 3.47Å; S216-P218 VanDerWaalsContact C-CD 3.4Å; P218-I220 VanDerWaalsContact C-N 3.33Å; P218-I220 PolarHBondContact O-N 2.88Å; P218-Q221 PolarHBondContact O-N 3.02Å; P218-A222 WeakPolarHBondContact O-CB 3.49Å; P218-A222 PolarHBondContact O-N 3.12Å; P218-Y256 HydrophobicContact CB-CD1 4Å; P218-Y256 HydrophobicContact CB-CE1 4Å; P218-Y256 HydrophobicContact CG-CD1 4.5Å; P218-Y256 HydrophobicContact CG-CE1 4.04Å; P218-M259 HydrophobicContact CB-CE 3.7Å; P218-M259 HydrophobicContact CB-SD 3.81Å; P218-M259 WeakPolarHBondContact O-CE 3.3Å
219	A	98.7	Very high	97.8	Very high	6 Å²	6	28.8 Å²	28.8	5%	0.05	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-32.5	175.3	0	0	0	0	0	113.2	V188 I191 Q192 S216 F217 A222 A223	V188-A219 HydrophobicContact CG1-CB 4.16Å; I191-A219 HydrophobicContact CB-CB 4.08Å; I191-A219 HydrophobicContact CG2-CB 3.75Å; Q192-A219 HydrophobicContact CG-CB 3.42Å; Q192-A219 VanDerWaalsContact CG-CB 3.42Å; S216-A219 PolarHBondContact O-N 2.94Å; F217-A219 PolarHBondContact O-N 2.88Å; A219-A222 PolarHBondContact O-N 3.44Å; A219-A223 PolarHBondContact O-N 2.74Å
220	I	98.8	Very high	97.8	Very high	21 Å²	21	23.7 Å²	23.7	11%	0.108	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-38.8	176.9	-55.3	177.7	0	0	0	110.6	Q131 D135 N174 M178 F184 V188 F217 P218 A222 P224	Q131-I220 PolarHBondContact NE2-O 2.74Å; D135-I220 WeakPolarHBondContact OD2-CD1 3.37Å; N174-I220 WeakPolarHBondContact ND2-CG2 3.49Å; M178-I220 HydrophobicContact CE-CD1 4.27Å; M178-I220 HydrophobicContact CE-CG1 4.26Å; M178-I220 HydrophobicContact CE-CG2 4.11Å; F184-I220 HydrophobicContact CE1-CG2 4.25Å; F184-I220 HydrophobicContact CZ-CG2 4.5Å; V188-I220 HydrophobicContact CG1-CG1 3.99Å; V188-I220 HydrophobicContact CG2-CG1 4.35Å; F217-I220 HydrophobicContact CD2-CB 4.16Å; F217-I220 HydrophobicContact CD2-CD1 4.23Å; F217-I220 HydrophobicContact CE2-CB 4.28Å; F217-I220 HydrophobicContact CE2-CG2 4.42Å; F217-I220 WeakPolarHBondContact O-CA 3.37Å; F217-I220 VanDerWaalsContact O-CB 3.31Å; F217-I220 WeakPolarHBondContact O-CB 3.42Å; F217-I220 PolarHBondContact O-N 3.19Å; P218-I220 VanDerWaalsContact C-N 3.33Å; P218-I220 PolarHBondContact O-N 2.88Å; I220-A222 VanDerWaalsContact C-N 3.34Å; I220-P224 WeakPolarHBondContact O-CD 3.4Å
221	Q	98.8	Very high	97.6	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.051	14%	0.14	C	C	.	.	H	α-helix	trans	-74.2	-25.4	174.7	-173.4	165.6	-23.5	0	0	112.9	Y96 F217 P218 P224 Y256 F257	Y96-Q221 PolarHBondContact OH-O 3.48Å; F217-Q221 HydrophobicContact CE1-CB 4.13Å; F217-Q221 HydrophobicContact CZ-CB 4.12Å; F217-Q221 PolarHBondContact O-N 3.48Å; P218-Q221 PolarHBondContact O-N 3.02Å; Q221-P224 WeakPolarHBondContact O-CD 3.39Å; Q221-Y256 HydrophobicContact CB-CD1 4.11Å; Q221-Y256 HydrophobicContact CB-CE1 4.44Å; Q221-Y256 HydrophobicContact CG-CD1 4.29Å; Q221-Y256 HydrophobicContact CG-CG 4.21Å; Q221-F257 HydrophobicContact CG-CE1 4.4Å; Q221-F257 HydrophobicContact CG-CZ 4.34Å
222	A	98.8	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-78.3	-36.2	176.6	0	0	0	0	0	113.6	I191 P218 A219 I220 P224 S225 M259 T260	I191-A222 HydrophobicContact CD1-CB 3.9Å; I191-A222 HydrophobicContact CG2-CB 4.29Å; P218-A222 WeakPolarHBondContact O-CB 3.49Å; P218-A222 PolarHBondContact O-N 3.12Å; A219-A222 PolarHBondContact O-N 3.44Å; I220-A222 VanDerWaalsContact C-N 3.34Å; A222-P224 VanDerWaalsContact C-CD 3.46Å; A222-S225 VanDerWaalsContact O-CB 3.22Å; A222-S225 WeakPolarHBondContact O-CB 3.41Å; A222-S225 PolarHBondContact O-N 3.13Å; A222-S225 PolarHBondContact O-OG 3Å; A222-M259 HydrophobicContact CB-CE 3.96Å; A222-T260 HydrophobicContact CB-CG2 4.02Å; A222-T260 WeakPolarHBondContact CB-OG1 3.5Å
223	A	98.6	Very high	96.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-55.7	-39.1	-175.9	0	0	0	0	0	115	F184 T187 V188 I191 A219 S225 F226 S229	F184-A223 HydrophobicContact CE2-CB 4.23Å; F184-A223 HydrophobicContact CZ-CB 4.21Å; T187-A223 HydrophobicContact CG2-CB 4.03Å; V188-A223 HydrophobicContact CG2-CB 3.61Å; I191-A223 HydrophobicContact CD1-CB 4.06Å; A219-A223 PolarHBondContact O-N 2.74Å; A223-S225 PolarHBondContact O-N 2.79Å; A223-S225 VanDerWaalsContact O-N 3.1Å; A223-F226 PolarHBondContact O-N 3.07Å; A223-F226 VanDerWaalsContact O-N 3.16Å; A223-S229 WeakPolarHBondContact O-CB 3.2Å; A223-S229 PolarHBondContact O-OG 3.47Å
224	P	98.6	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-62.7	-14.2	176.6	-23.8	32	0	0	0	115.1	F94 Y96 F172 F184 I220 Q221 A222 F226 F230	F94-P224 WeakPolarHBondContact CE2-O 3.49Å; F94-P224 WeakPolarHBondContact CZ-O 3.5Å; Y96-P224 HydrophobicContact CD1-CB 3.97Å; Y96-P224 HydrophobicContact CD2-CB 3.88Å; Y96-P224 HydrophobicContact CE1-CB 3.63Å; Y96-P224 HydrophobicContact CE1-CG 4.29Å; Y96-P224 HydrophobicContact CE2-CB 3.59Å; Y96-P224 HydrophobicContact CE2-CG 4.11Å; Y96-P224 HydrophobicContact CG-CB 4.11Å; Y96-P224 VanDerWaalsContact CZ-CB 3.46Å; F172-P224 HydrophobicContact CZ-CB 4.23Å; F172-P224 HydrophobicContact CZ-CG 3.83Å; F184-P224 HydrophobicContact CE2-CG 3.88Å; F184-P224 HydrophobicContact CZ-CG 4.04Å; I220-P224 WeakPolarHBondContact O-CD 3.4Å; Q221-P224 WeakPolarHBondContact O-CD 3.39Å; A222-P224 VanDerWaalsContact C-CD 3.46Å; P224-F226 PolarHBondContact O-N 2.87Å; P224-F230 HydrophobicContact CB-CE2 4.09Å; P224-F230 HydrophobicContact CB-CZ 3.77Å; P224-F230 HydrophobicContact CG-CZ 4.4Å
225	S	98.5	Very high	95.9	Very high	4 Å²	4	21.2 Å²	21.2	3%	0.028	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-68	-9.8	174.6	-57.8	0	0	0	0	113.5	A222 A223 C245 I247	A222-S225 VanDerWaalsContact O-CB 3.22Å; A222-S225 WeakPolarHBondContact O-CB 3.41Å; A222-S225 PolarHBondContact O-N 3.13Å; A222-S225 PolarHBondContact O-OG 3Å; A223-S225 PolarHBondContact O-N 2.79Å; A223-S225 VanDerWaalsContact O-N 3.1Å; S225-C245 WeakPolarHBondContact O-CB 3.41Å; S225-I247 WeakPolarHBondContact OG-CD1 3.2Å
226	F	97.6	Very high	94.9	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.035	13%	0.133	C	C	.	.	S	Bend	trans	-119.9	126.7	-174.9	-50.8	-62.5	0	0	0	111.1	T187 I191 A223 P224 Q228 S229 T260 A264 L269	T187-F226 HydrophobicContact CG2-CD2 3.91Å; I191-F226 HydrophobicContact CD1-CD2 4.18Å; I191-F226 HydrophobicContact CD1-CE2 3.76Å; I191-F226 HydrophobicContact CG1-CE2 4.29Å; A223-F226 PolarHBondContact O-N 3.07Å; A223-F226 VanDerWaalsContact O-N 3.16Å; P224-F226 PolarHBondContact O-N 2.87Å; F226-Q228 HydrophobicContact CB-CG 4.06Å; F226-Q228 PolarHBondContact O-N 3.37Å; F226-Q228 VanDerWaalsContact O-N 3.17Å; F226-S229 VanDerWaalsContact O-CB 3.22Å; F226-S229 WeakPolarHBondContact O-CB 2.9Å; F226-S229 PolarHBondContact O-N 3.39Å; F226-S229 PolarHBondContact O-OG 3.33Å; F226-T260 HydrophobicContact CE1-CG2 4.43Å; F226-T260 HydrophobicContact CE2-CG2 3.94Å; F226-T260 HydrophobicContact CZ-CG2 3.58Å; F226-A264 HydrophobicContact CE1-CB 3.72Å; F226-A264 HydrophobicContact CZ-CB 3.92Å; F226-L269 HydrophobicContact CB-CD1 3.99Å; F226-L269 HydrophobicContact CD1-CB 3.78Å; F226-L269 HydrophobicContact CD1-CD1 3.54Å; F226-L269 HydrophobicContact CD1-CG 4.23Å; F226-L269 HydrophobicContact CD2-CD1 4.06Å; F226-L269 HydrophobicContact CE1-CB 3.84Å; F226-L269 HydrophobicContact CE1-CD1 3.97Å; F226-L269 HydrophobicContact CE2-CD1 4.44Å; F226-L269 HydrophobicContact CG-CD1 3.58Å; F226-L269 HydrophobicContact CZ-CD1 4.4Å
227	A	95.5	Very high	94	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.033	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60.9	-28.3	-176.7	0	0	0	0	0	113.3	F94 S229 F230 F234 P240 V243	F94-A227 HydrophobicContact CE1-CB 4.25Å; A227-S229 PolarHBondContact O-N 2.93Å; A227-S229 VanDerWaalsContact O-N 3.08Å; A227-F230 CarbonylContact O-C 3.55Å; A227-F230 PolarHBondContact O-N 3.46Å; A227-F234 HydrophobicContact CB-CD2 3.72Å; A227-F234 HydrophobicContact CB-CE2 4.07Å; A227-F234 HydrophobicContact CB-CG 4.22Å; A227-F234 WeakPolarHBondContact O-CD2 3.31Å; A227-P240 HydrophobicContact CB-CB 4.05Å; A227-V243 HydrophobicContact CB-CB 4.17Å; A227-V243 HydrophobicContact CB-CG1 4.38Å
228	Q	94.3	Very high	93.1	Very high	54 Å²	54	33.2 Å²	33.2	25%	0.252	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-58.5	-21.5	175.4	66.9	173.1	45.4	0	0	113.6	T187 F226 F230	T187-Q228 HydrophobicContact CG2-CG 4.48Å; T187-Q228 PolarHBondContact OG1-NE2 3.48Å; F226-Q228 HydrophobicContact CB-CG 4.06Å; F226-Q228 PolarHBondContact O-N 3.37Å; F226-Q228 VanDerWaalsContact O-N 3.17Å; Q228-F230 PolarHBondContact O-N 3.07Å
229	S	96.8	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-70.2	-10.4	174.8	-60.9	0	0	0	0	113	Y177 T187 A223 F226 A227	Y177-S229 PolarHBondContact OH-O 2.93Å; T187-S229 WeakPolarHBondContact CB-OG 3.39Å; T187-S229 WeakPolarHBondContact CG2-OG 3.5Å; T187-S229 PolarHBondContact OG1-OG 2.77Å; A223-S229 WeakPolarHBondContact O-CB 3.2Å; A223-S229 PolarHBondContact O-OG 3.47Å; F226-S229 VanDerWaalsContact O-CB 3.22Å; F226-S229 WeakPolarHBondContact O-CB 2.9Å; F226-S229 PolarHBondContact O-N 3.39Å; F226-S229 PolarHBondContact O-OG 3.33Å; A227-S229 PolarHBondContact O-N 2.93Å; A227-S229 VanDerWaalsContact O-N 3.08Å
230	F	96.3	Very high	91.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.			trans	-135.9	64.5	-176.9	-44.4	-88.1	0	0	0	112.8	V129 F170 F172 Y177 F184 P224 A227 Q228 T232 V233 F234	V129-F230 HydrophobicContact CB-CZ 4.32Å; V129-F230 HydrophobicContact CG1-CD2 4.45Å; V129-F230 HydrophobicContact CG1-CE2 4.37Å; V129-F230 HydrophobicContact CG1-CZ 4.46Å; V129-F230 HydrophobicContact CG2-CE2 4.1Å; V129-F230 HydrophobicContact CG2-CZ 4.15Å; F170-F230 HydrophobicContact CD1-CD1 4.05Å; F170-F230 HydrophobicContact CD1-CE1 4.3Å; F170-F230 AromaticContact CE1-CD1 3.85Å; F170-F230 HydrophobicContact CE1-CD1 3.85Å; F170-F230 HydrophobicContact CE1-CE1 4.06Å; F172-F230 AromaticContact CD1-CE1 3.99Å; F172-F230 HydrophobicContact CD1-CE1 3.99Å; F172-F230 AromaticContact CE1-CE1 3.6Å; F172-F230 HydrophobicContact CE1-CE1 3.6Å; F172-F230 AromaticContact CE1-CZ 3.73Å; F172-F230 HydrophobicContact CE1-CZ 3.73Å; F172-F230 HydrophobicContact CE2-CE1 4.47Å; F172-F230 AromaticContact CZ-CE1 3.87Å; F172-F230 HydrophobicContact CZ-CE1 3.87Å; F172-F230 AromaticContact CZ-CZ 3.86Å; F172-F230 HydrophobicContact CZ-CZ 3.86Å; Y177-F230 HydrophobicContact CD1-CE1 4.32Å; Y177-F230 AromaticContact CE1-CD1 3.57Å; Y177-F230 HydrophobicContact CE1-CD1 3.57Å; Y177-F230 AromaticContact CE1-CE1 3.6Å; Y177-F230 HydrophobicContact CE1-CE1 3.6Å; Y177-F230 AromaticContact CZ-CD1 3.63Å; Y177-F230 WeakPolarHBondContact OH-CA 3.43Å; Y177-F230 VanDerWaalsContact OH-CD1 3.27Å; Y177-F230 WeakPolarHBondContact OH-CD1 3.35Å; F184-F230 HydrophobicContact CD2-CE1 4.3Å; F184-F230 HydrophobicContact CD2-CZ 4.43Å; F184-F230 HydrophobicContact CE2-CE1 4.29Å; F184-F230 HydrophobicContact CE2-CZ 4.15Å; P224-F230 HydrophobicContact CB-CE2 4.09Å; P224-F230 HydrophobicContact CB-CZ 3.77Å; P224-F230 HydrophobicContact CG-CZ 4.4Å; A227-F230 CarbonylContact O-C 3.55Å; A227-F230 PolarHBondContact O-N 3.46Å; Q228-F230 PolarHBondContact O-N 3.07Å; F230-T232 VanDerWaalsContact C-N 3.33Å; F230-T232 PolarHBondContact O-N 3.21Å; F230-V233 HydrophobicContact CB-CB 3.6Å; F230-V233 HydrophobicContact CB-CG1 4.26Å; F230-V233 HydrophobicContact CB-CG2 3.75Å; F230-V233 HydrophobicContact CD1-CG2 4.42Å; F230-V233 HydrophobicContact CG-CG2 4.48Å; F230-V233 PolarHBondContact O-N 3.11Å; F230-V233 VanDerWaalsContact O-N 3.13Å; F230-F234 HydrophobicContact CB-CD2 3.76Å; F230-F234 HydrophobicContact CB-CE2 3.93Å; F230-F234 HydrophobicContact CD2-CD2 4.35Å; F230-F234 AromaticContact CD2-CE2 3.84Å; F230-F234 HydrophobicContact CD2-CE2 3.84Å; F230-F234 HydrophobicContact CG-CE2 4.24Å; F230-F234 PolarHBondContact O-N 3.24Å
231	P	93.7	Very high	91.4	Very high	52 Å²	52	43.5 Å²	43.5	34%	0.338	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-40.4	-176.6	24.4	-34.7	0	0	0	113.1	D183 F234 E235	D183-P231 HydrophobicContact CB-CG 4.06Å; P231-F234 CarbonylContact O-C 3.3Å; P231-E235 WeakPolarHBondContact O-CA 3.37Å; P231-E235 PolarHBondContact O-N 3.49Å
232	T	91.9	Very high	90.9	Very high	62 Å²	62	46.9 Å²	46.9	38%	0.38	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-36	177.5	-51.6	0	0	0	0	112.6	F230 P403 P405	F230-T232 VanDerWaalsContact C-N 3.33Å; F230-T232 PolarHBondContact O-N 3.21Å; T232-P403 HydrophobicContact CG2-CB 4.17Å; T232-P405 VanDerWaalsContact O-CA 3.32Å; T232-P405 WeakPolarHBondContact O-CA 3.39Å
233	V	89.4	Confident	90.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-36	-177.8	176.7	0	0	0	0	110.6	V129 F170 F230 H404 L406	V129-V233 HydrophobicContact CG1-CG1 4.24Å; F170-V233 HydrophobicContact CB-CG1 4.43Å; F170-V233 HydrophobicContact CB-CG2 4.32Å; F170-V233 HydrophobicContact CD1-CG2 3.66Å; F170-V233 HydrophobicContact CE1-CG2 4.1Å; F170-V233 HydrophobicContact CG-CG2 3.95Å; F230-V233 HydrophobicContact CB-CB 3.6Å; F230-V233 HydrophobicContact CB-CG1 4.26Å; F230-V233 HydrophobicContact CB-CG2 3.75Å; F230-V233 HydrophobicContact CD1-CG2 4.42Å; F230-V233 HydrophobicContact CG-CG2 4.48Å; F230-V233 PolarHBondContact O-N 3.11Å; F230-V233 VanDerWaalsContact O-N 3.13Å; V233-H404 WeakPolarHBondContact CA-O 3.3Å; V233-L406 HydrophobicContact CG1-CB 4.38Å; V233-L406 HydrophobicContact CG1-CD1 3.3Å; V233-L406 HydrophobicContact CG1-CG 3.47Å; V233-L406 VanDerWaalsContact CG1-CG 3.47Å; V233-L406 PolarHBondContact O-N 3.5Å
234	F	90.6	Very high	90.4	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.026	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	26.3	-175.8	-64.6	-54.9	0	0	0	113.1	F94 P127 V129 A227 F230 P231 N236 L237 L408	F94-F234 HydrophobicContact CB-CE1 3.97Å; F94-F234 HydrophobicContact CB-CZ 3.77Å; F94-F234 HydrophobicContact CD1-CZ 4.01Å; F94-F234 HydrophobicContact CD2-CE2 4.34Å; F94-F234 AromaticContact CD2-CZ 3.74Å; F94-F234 HydrophobicContact CD2-CZ 3.74Å; F94-F234 HydrophobicContact CE2-CE2 4.48Å; F94-F234 HydrophobicContact CE2-CZ 4.32Å; F94-F234 HydrophobicContact CG-CE1 4.22Å; F94-F234 HydrophobicContact CG-CE2 4.36Å; F94-F234 AromaticContact CG-CZ 3.57Å; F94-F234 HydrophobicContact CG-CZ 3.57Å; P127-F234 HydrophobicContact CB-CE1 4.37Å; P127-F234 HydrophobicContact CG-CE1 4.2Å; V129-F234 HydrophobicContact CG1-CE2 4.44Å; V129-F234 HydrophobicContact CG1-CZ 4.24Å; A227-F234 HydrophobicContact CB-CD2 3.72Å; A227-F234 HydrophobicContact CB-CE2 4.07Å; A227-F234 HydrophobicContact CB-CG 4.22Å; A227-F234 WeakPolarHBondContact O-CD2 3.31Å; F230-F234 HydrophobicContact CB-CD2 3.76Å; F230-F234 HydrophobicContact CB-CE2 3.93Å; F230-F234 HydrophobicContact CD2-CD2 4.35Å; F230-F234 AromaticContact CD2-CE2 3.84Å; F230-F234 HydrophobicContact CD2-CE2 3.84Å; F230-F234 HydrophobicContact CG-CE2 4.24Å; F230-F234 PolarHBondContact O-N 3.24Å; P231-F234 CarbonylContact O-C 3.3Å; F234-N236 PolarHBondContact O-N 3.42Å; F234-L237 HydrophobicContact CB-CD1 3.61Å; F234-L237 HydrophobicContact CB-CG 4.43Å; F234-L237 HydrophobicContact CD1-CD1 3.66Å; F234-L237 HydrophobicContact CG-CD1 3.84Å; F234-L237 WeakPolarHBondContact O-CB 3.46Å; F234-L237 PolarHBondContact O-N 3.4Å; F234-L408 HydrophobicContact CD1-CD2 3.87Å; F234-L408 HydrophobicContact CE1-CD2 4.04Å
235	E	83.5	Confident	90.4	Very high	131 Å²	131	47.7 Å²	47.7	61%	0.612	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.4	-172.5	-175	178	-168	0	0	113.7	P231 L237 P405	P231-E235 WeakPolarHBondContact O-CA 3.37Å; P231-E235 PolarHBondContact O-N 3.49Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 3.31Å; E235-P405 WeakPolarHBondContact OE2-CG 3.47Å
236	N	76.5	Confident	90.4	Very high	105 Å²	105	47.5 Å²	47.5	56%	0.561	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.9	-177.8	-63.6	-49.4	0	0	0	114.4	F234	F234-N236 PolarHBondContact O-N 3.42Å
237	L	80.6	Confident	90.4	Very high	22 Å²	22	47.2 Å²	47.2	12%	0.115	24%	0.237	C	C	.	.			trans	-86.3	114.1	178.8	-72.3	164.7	0	0	0	110.8	P92 F234 E235 K239 V243 L408 I411	P92-L237 HydrophobicContact CB-CD2 4.12Å; P92-L237 HydrophobicContact CG-CD2 4.1Å; F234-L237 HydrophobicContact CB-CD1 3.61Å; F234-L237 HydrophobicContact CB-CG 4.43Å; F234-L237 HydrophobicContact CD1-CD1 3.66Å; F234-L237 HydrophobicContact CG-CD1 3.84Å; F234-L237 WeakPolarHBondContact O-CB 3.46Å; F234-L237 PolarHBondContact O-N 3.4Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 3.31Å; L237-K239 PolarHBondContact O-N 3Å; L237-V243 HydrophobicContact CB-CG2 4.44Å; L237-V243 HydrophobicContact CD1-CB 4.39Å; L237-V243 HydrophobicContact CD1-CG1 4.23Å; L237-V243 HydrophobicContact CD1-CG2 3.44Å; L237-V243 VanDerWaalsContact CD1-CG2 3.44Å; L237-V243 HydrophobicContact CD2-CG2 3.76Å; L237-V243 HydrophobicContact CG-CG2 4.06Å; L237-L408 HydrophobicContact CD1-CD1 3.79Å; L237-L408 HydrophobicContact CD2-CD1 3.8Å; L237-L408 HydrophobicContact CG-CD1 3.47Å; L237-L408 VanDerWaalsContact CG-CD1 3.47Å; L237-I411 HydrophobicContact CD2-CD1 3.74Å
238	K	78.3	Confident	90.6	Very high	207 Å²	207	47 Å²	47	90%	0.9	24%	0.236	S	C	*	.	S	Bend	trans	-62.3	-26.8	175.4	-65.6	-175.4	179.5	179.3	0	113.5
239	K	86.3	Confident	90.7	Very high	119 Å²	119	44.8 Å²	44.8	52%	0.517	23%	0.226	S	C	.	.			trans	-141.5	76.7	-174.8	-64.3	-170.5	179.2	-172.2	0	110.1	L237 E241 D242	L237-K239 PolarHBondContact O-N 3Å; K239-E241 VanDerWaalsContact C-OE2 3.27Å; K239-E241 WeakPolarHBondContact CA-OE2 3.43Å; K239-E241 PolarHBondContact O-N 3.43Å; K239-D242 HydrophobicContact CB-CB 4.05Å; K239-D242 WeakPolarHBondContact CD-OD2 3.28Å; K239-D242 IonicContact NZ-OD2 3.22Å; K239-D242 PolarHBondContact O-N 2.77Å
240	P	86.7	Confident	90.7	Very high	41 Å²	41	45.7 Å²	45.7	27%	0.266	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56.2	-27.8	178.7	23.4	-34.1	0	0	0	112.9	A227 D242 V243	A227-P240 HydrophobicContact CB-CB 4.05Å; P240-D242 VanDerWaalsContact C-N 3.27Å; P240-D242 PolarHBondContact O-N 3.12Å; P240-V243 WeakPolarHBondContact O-CB 3.24Å; P240-V243 PolarHBondContact O-N 3.4Å
241	E	87.6	Confident	90.7	Very high	86 Å²	86	45.7 Å²	45.7	40%	0.402	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-65.3	-24	175.9	65.3	-87.8	-152.8	0	0	114.1	K239 L269 L270	K239-E241 VanDerWaalsContact C-OE2 3.27Å; K239-E241 WeakPolarHBondContact CA-OE2 3.43Å; K239-E241 PolarHBondContact O-N 3.43Å; E241-L269 HydrophobicContact CB-CD2 3.93Å; E241-L270 WeakPolarHBondContact O-CG 3.4Å
242	D	88.2	Confident	90.7	Very high	82 Å²	82	43.9 Å²	43.9	44%	0.439	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-91.4	-1.5	-179	-78	-21.4	0	0	0	113.1	R86 K239 P240 L270	R86-D242 VanDerWaalsContact CZ-O 3.3Å; R86-D242 PolarHBondContact NH1-O 2.89Å; R86-D242 PolarHBondContact NH2-O 3.47Å; K239-D242 HydrophobicContact CB-CB 4.05Å; K239-D242 WeakPolarHBondContact CD-OD2 3.28Å; K239-D242 IonicContact NZ-OD2 3.22Å; K239-D242 PolarHBondContact O-N 2.77Å; P240-D242 VanDerWaalsContact C-N 3.27Å; P240-D242 PolarHBondContact O-N 3.12Å; D242-L270 VanDerWaalsContact C-CD1 3.44Å; D242-L270 WeakPolarHBondContact O-CD1 3.23Å
243	V	92.4	Very high	91	Very high	11 Å²	11	43 Å²	43	7%	0.067	21%	0.213	C	C	.	.			trans	-85.4	125	-175.5	-179.4	0	0	0	0	109.7	P92 F94 A227 L237 P240	P92-V243 HydrophobicContact CG-CG2 4.38Å; F94-V243 HydrophobicContact CD1-CG1 3.89Å; F94-V243 HydrophobicContact CE1-CG1 4.47Å; A227-V243 HydrophobicContact CB-CB 4.17Å; A227-V243 HydrophobicContact CB-CG1 4.38Å; L237-V243 HydrophobicContact CB-CG2 4.44Å; L237-V243 HydrophobicContact CD1-CB 4.39Å; L237-V243 HydrophobicContact CD1-CG1 4.23Å; L237-V243 HydrophobicContact CD1-CG2 3.44Å; L237-V243 VanDerWaalsContact CD1-CG2 3.44Å; L237-V243 HydrophobicContact CD2-CG2 3.76Å; L237-V243 HydrophobicContact CG-CG2 4.06Å; P240-V243 WeakPolarHBondContact O-CB 3.24Å; P240-V243 PolarHBondContact O-N 3.4Å
244	G	95.1	Very high	91.3	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	156.1	176.7	0	0	0	0	0	112.2	P92 F93 F94	P92-G244 PolarHBondContact O-N 2.92Å; F93-G244 CarbonylContact C-O 3.39Å; F93-G244 WeakPolarHBondContact CA-O 3.3Å; F93-G244 VanDerWaalsContact CB-O 3.27Å; F93-G244 WeakPolarHBondContact CB-O 3.11Å; F94-G244 WeakPolarHBondContact CD1-O 3.27Å; F94-G244 PolarHBondContact N-O 2.98Å
245	C	97.7	Very high	91.6	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.6	171.9	-177.2	0	0	0	0	108.7	F94 S225 P272 S273	F94-C245 HydrophobicContact CD1-CB 4.27Å; F94-C245 HydrophobicContact CE1-CB 3.62Å; F94-C245 HydrophobicContact CE2-CB 4.49Å; F94-C245 HydrophobicContact CZ-CB 3.75Å; F94-C245 VanDerWaalsContact CZ-SG 3.51Å; F94-C245 WeakPolarHBondContact O-CA 3.37Å; S225-C245 WeakPolarHBondContact O-CB 3.41Å; C245-P272 HydrophobicContact CB-CB 4.17Å; C245-S273 PolarHBondContact O-N 3.34Å
246	L	98.6	Very high	92.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.4	169.2	173.3	62	0	0	0	109.3	F80 I83 F93 F94 L95 Y96 F120 P248 S273 I275	F80-L246 HydrophobicContact CD2-CD1 4.08Å; F80-L246 HydrophobicContact CD2-CD2 4.5Å; F80-L246 HydrophobicContact CE2-CD1 4.42Å; F80-L246 HydrophobicContact CE2-CD2 4.07Å; I83-L246 HydrophobicContact CD1-CB 4Å; I83-L246 HydrophobicContact CG1-CB 4.05Å; I83-L246 HydrophobicContact CG1-CD1 4.25Å; I83-L246 HydrophobicContact CG2-CD2 4.18Å; F93-L246 HydrophobicContact CD2-CB 4.37Å; F93-L246 HydrophobicContact CE2-CB 4.49Å; F94-L246 PolarHBondContact O-N 3.16Å; L95-L246 CarbonylContact C-O 3.59Å; L95-L246 WeakPolarHBondContact CA-O 3.41Å; L95-L246 HydrophobicContact CD2-CB 4.08Å; L95-L246 HydrophobicContact CD2-CD2 3.81Å; L95-L246 HydrophobicContact CD2-CG 4.05Å; Y96-L246 PolarHBondContact N-O 2.91Å; F120-L246 HydrophobicContact CD1-CD2 4.47Å; F120-L246 HydrophobicContact CD2-CD2 4.45Å; F120-L246 HydrophobicContact CE1-CD2 4.27Å; F120-L246 HydrophobicContact CE2-CD2 4.26Å; F120-L246 HydrophobicContact CZ-CD2 4.17Å; L246-P248 HydrophobicContact CG-CG 4.38Å; L246-P248 WeakPolarHBondContact O-CD 3.5Å; L246-S273 CarbonylContact C-O 3.49Å; L246-S273 WeakPolarHBondContact CA-O 3.3Å; L246-I275 HydrophobicContact CD1-CG1 4.33Å; L246-I275 HydrophobicContact CD1-CG2 4.2Å
247	I	98.8	Very high	93.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	97.2	-178.5	-51.9	176.8	0	0	0	110.8	Y96 S225 C249 F257 P272 S273 L274 I275	Y96-I247 HydrophobicContact CD1-CD1 3.63Å; Y96-I247 HydrophobicContact CD1-CG1 3.81Å; Y96-I247 HydrophobicContact CE1-CD1 4.08Å; Y96-I247 HydrophobicContact CG-CG1 4.4Å; Y96-I247 VanDerWaalsContact O-CA 3.29Å; Y96-I247 WeakPolarHBondContact O-CA 3.2Å; Y96-I247 WeakPolarHBondContact O-CG2 3.3Å; S225-I247 WeakPolarHBondContact OG-CD1 3.2Å; I247-C249 HydrophobicContact CG2-CB 4.47Å; I247-F257 HydrophobicContact CD1-CD1 3.55Å; I247-F257 HydrophobicContact CD1-CD2 4.5Å; I247-F257 HydrophobicContact CD1-CE1 3.68Å; I247-F257 HydrophobicContact CD1-CG 4Å; I247-F257 HydrophobicContact CD1-CZ 4.17Å; I247-F257 HydrophobicContact CG2-CD2 4.16Å; I247-F257 HydrophobicContact CG2-CE1 4.39Å; I247-F257 HydrophobicContact CG2-CE2 3.69Å; I247-F257 HydrophobicContact CG2-CZ 3.82Å; I247-P272 HydrophobicContact CD1-CB 3.69Å; I247-P272 HydrophobicContact CD1-CG 4.26Å; I247-P272 HydrophobicContact CG1-CB 4.31Å; I247-S273 PolarHBondContact N-O 3.5Å; I247-L274 HydrophobicContact CB-CD2 3.94Å; I247-L274 HydrophobicContact CB-CG 4.1Å; I247-L274 HydrophobicContact CD1-CD2 4.43Å; I247-L274 HydrophobicContact CG2-CD2 4.15Å; I247-L274 WeakPolarHBondContact O-CA 3.42Å; I247-I275 PolarHBondContact O-N 3.07Å
248	P	98.6	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.6	167.6	-13.6	30.8	0	0	0	110.7	F74 L95 T97 I116 N117 L246 I275	F74-P248 HydrophobicContact CE1-CB 4.07Å; F74-P248 HydrophobicContact CZ-CB 4.4Å; L95-P248 HydrophobicContact CD2-CG 4.33Å; T97-P248 PolarHBondContact OG1-O 3.23Å; I116-P248 HydrophobicContact CG2-CB 3.59Å; I116-P248 HydrophobicContact CG2-CG 4.27Å; N117-P248 WeakPolarHBondContact ND2-CB 3.16Å; N117-P248 WeakPolarHBondContact OD1-CG 3.4Å; L246-P248 HydrophobicContact CG-CG 4.38Å; L246-P248 WeakPolarHBondContact O-CD 3.5Å; P248-I275 HydrophobicContact CB-CD1 3.96Å; P248-I275 HydrophobicContact CB-CG1 3.77Å; P248-I275 HydrophobicContact CG-CD1 4.07Å; P248-I275 HydrophobicContact CG-CG1 4.07Å
249	C	97.8	Very high	95.1	Very high	7 Å²	7	24.2 Å²	24.2	5%	0.047	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	170.1	179.4	57	0	0	0	0	111	I247 Q253 I275 Y276 S277	I247-C249 HydrophobicContact CG2-CB 4.47Å; C249-Q253 HydrophobicContact CB-CB 4.07Å; C249-Q253 HydrophobicContact CB-CG 4.21Å; C249-I275 PolarHBondContact N-O 3.49Å; C249-Y276 CarbonylContact O-C 3.48Å; C249-Y276 VanDerWaalsContact O-CA 3.26Å; C249-Y276 WeakPolarHBondContact O-CA 3.47Å; C249-S277 PolarHBondContact O-N 3.41Å
250	A	96.3	Very high	95.7	Very high	19 Å²	19	18.5 Å²	18.5	16%	0.157	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	154.1	164.5	0	0	0	0	0	109.7	D252 Q253 S277 F279	A250-D252 VanDerWaalsContact CB-OD1 3.26Å; A250-D252 WeakPolarHBondContact CB-OD1 3.46Å; A250-D252 PolarHBondContact O-N 2.84Å; A250-D252 VanDerWaalsContact O-N 3.12Å; A250-Q253 PolarHBondContact O-N 2.96Å; A250-Q253 VanDerWaalsContact O-N 3.12Å; A250-S277 WeakPolarHBondContact CA-OG 3.42Å; A250-F279 HydrophobicContact CB-CD1 4.26Å; A250-F279 HydrophobicContact CB-CE1 4.11Å
251	I	96	Very high	96.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.9	-172.3	-167.7	158.1	0	0	0	114.4	V22 L40 F44 F75 Q253 D254 Y276 S277 F279	V22-I251 HydrophobicContact CG1-CG2 4.5Å; L40-I251 HydrophobicContact CD2-CB 4.43Å; L40-I251 HydrophobicContact CD2-CD1 3.72Å; L40-I251 HydrophobicContact CD2-CG1 4.1Å; L40-I251 HydrophobicContact CD2-CG2 3.56Å; L40-I251 HydrophobicContact CG-CD1 3.81Å; L40-I251 HydrophobicContact CG-CG1 4.46Å; F44-I251 HydrophobicContact CD2-CD1 4.12Å; F44-I251 HydrophobicContact CD2-CG1 3.8Å; F44-I251 HydrophobicContact CE2-CG1 3.97Å; F75-I251 HydrophobicContact CE1-CB 4.43Å; F75-I251 HydrophobicContact CE1-CD1 4.28Å; F75-I251 HydrophobicContact CE2-CD1 4.34Å; F75-I251 HydrophobicContact CZ-CB 4.42Å; F75-I251 HydrophobicContact CZ-CD1 3.52Å; I251-Q253 PolarHBondContact O-N 3.35Å; I251-Q253 VanDerWaalsContact O-N 3.14Å; I251-D254 WeakPolarHBondContact O-CB 3.43Å; I251-D254 PolarHBondContact O-N 3.18Å; I251-Y276 HydrophobicContact CB-CD1 4.47Å; I251-Y276 HydrophobicContact CB-CG 4.29Å; I251-Y276 HydrophobicContact CG1-CD1 4.44Å; I251-Y276 HydrophobicContact CG1-CG 4.19Å; I251-S277 PolarHBondContact N-O 3.29Å; I251-F279 HydrophobicContact CG2-CE1 4.19Å; I251-F279 HydrophobicContact CG2-CE2 3.84Å; I251-F279 HydrophobicContact CG2-CZ 3.49Å; I251-F279 VanDerWaalsContact CG2-CZ 3.49Å
252	D	94.1	Very high	96.7	Very high	13 Å²	13	18 Å²	18	7%	0.07	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18	174.7	63.1	-27.3	0	0	0	113.7	V22 T23 P24 V27 A250 P255 F279 K289	V22-D252 HydrophobicContact CG1-CB 4.26Å; T23-D252 WeakPolarHBondContact O-CB 3.29Å; P24-D252 WeakPolarHBondContact CA-O 3.4Å; P24-D252 WeakPolarHBondContact CG-O 3.49Å; V27-D252 HydrophobicContact CG2-CB 4.41Å; A250-D252 VanDerWaalsContact CB-OD1 3.26Å; A250-D252 WeakPolarHBondContact CB-OD1 3.46Å; A250-D252 PolarHBondContact O-N 2.84Å; A250-D252 VanDerWaalsContact O-N 3.12Å; D252-P255 WeakPolarHBondContact O-CD 3.44Å; D252-F279 HydrophobicContact CB-CE1 3.65Å; D252-F279 HydrophobicContact CB-CZ 3.77Å; D252-K289 IonicContact OD2-NZ 3.92Å; D252-K289 PolarHBondContact OD2-NZ 3.48Å
253	Q	97.1	Very high	97.2	Very high	45 Å²	45	14.3 Å²	14.3	21%	0.21	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-86.9	-7.7	176.3	-57.4	-57.2	-56	0	0	113.7	C249 A250 I251 P255 Y256 F257	C249-Q253 HydrophobicContact CB-CB 4.07Å; C249-Q253 HydrophobicContact CB-CG 4.21Å; A250-Q253 PolarHBondContact O-N 2.96Å; A250-Q253 VanDerWaalsContact O-N 3.12Å; I251-Q253 PolarHBondContact O-N 3.35Å; I251-Q253 VanDerWaalsContact O-N 3.14Å; Q253-P255 VanDerWaalsContact C-N 3.32Å; Q253-Y256 PolarHBondContact O-N 3.02Å; Q253-F257 HydrophobicContact CB-CD2 4.36Å; Q253-F257 HydrophobicContact CB-CE2 3.94Å; Q253-F257 WeakPolarHBondContact O-CD2 3.49Å
254	D	97.3	Very high	97.5	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	7%	0.071	C	C	.	.	H	α-helix	trans	-52.3	-39.9	179.1	-176.3	61.3	0	0	0	113.9	F44 R78 I251 Y256 F257 R258 Y276	F44-D254 HydrophobicContact CD2-CB 3.78Å; F44-D254 HydrophobicContact CE2-CB 4.1Å; R78-D254 IonicContact CZ-OD1 3.68Å; R78-D254 IonicContact CZ-OD2 3.59Å; R78-D254 IonicContact NE-OD1 3.71Å; R78-D254 PolarHBondContact NE-OD1 2.98Å; R78-D254 IonicContact NE-OD2 3.66Å; R78-D254 IonicContact NH2-OD1 2.59Å; R78-D254 PolarHBondContact NH2-OD1 3.11Å; R78-D254 IonicContact NH2-OD2 2.69Å; R78-D254 PolarHBondContact NH2-OD2 2.91Å; I251-D254 WeakPolarHBondContact O-CB 3.43Å; I251-D254 PolarHBondContact O-N 3.18Å; D254-Y256 VanDerWaalsContact C-N 3.26Å; D254-Y256 PolarHBondContact O-N 2.83Å; D254-F257 PolarHBondContact O-N 3.4Å; D254-R258 WeakPolarHBondContact O-CB 3.4Å; D254-R258 PolarHBondContact O-N 2.99Å; D254-Y276 HydrophobicContact CB-CE1 3.85Å; D254-Y276 PolarHBondContact OD1-OH 3.39Å
255	P	96.7	Very high	97.6	Very high	10 Å²	10	17.2 Å²	17.2	7%	0.065	9%	0.093	C	C	.	.	H	α-helix	trans	-54	-39.4	-179.9	-30.2	38.8	0	0	0	114.1	P24 I203 F204 D252 Q253 M259	P24-P255 HydrophobicContact CG-CB 4.39Å; P24-P255 HydrophobicContact CG-CG 4.28Å; I203-P255 HydrophobicContact CG2-CB 3.73Å; F204-P255 HydrophobicContact CD1-CB 4.43Å; F204-P255 HydrophobicContact CE1-CB 3.97Å; D252-P255 WeakPolarHBondContact O-CD 3.44Å; Q253-P255 VanDerWaalsContact C-N 3.32Å; P255-M259 PolarHBondContact O-N 2.83Å
256	Y	98.4	Very high	97.5	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-47.8	175	-71.7	-73.4	0	0	0	111.8	P24 F204 F217 P218 Q221 Q253 D254 M259 T260	P24-Y256 HydrophobicContact CB-CD2 4.49Å; P24-Y256 HydrophobicContact CB-CE2 3.74Å; P24-Y256 HydrophobicContact CG-CD2 4.2Å; P24-Y256 HydrophobicContact CG-CE2 3.76Å; F204-Y256 HydrophobicContact CD1-CE1 4.35Å; F204-Y256 AromaticContact CE1-CD1 3.55Å; F204-Y256 HydrophobicContact CE1-CD1 3.55Å; F204-Y256 HydrophobicContact CE1-CD2 4.2Å; F204-Y256 AromaticContact CE1-CE1 3.56Å; F204-Y256 HydrophobicContact CE1-CE1 3.56Å; F204-Y256 HydrophobicContact CE1-CE2 4.23Å; F204-Y256 AromaticContact CE1-CG 3.88Å; F204-Y256 HydrophobicContact CE1-CG 3.88Å; F204-Y256 AromaticContact CE1-CZ 3.92Å; F204-Y256 AromaticContact CZ-CD1 3.54Å; F204-Y256 HydrophobicContact CZ-CD1 3.54Å; F204-Y256 AromaticContact CZ-CE1 3.82Å; F204-Y256 HydrophobicContact CZ-CE1 3.82Å; F204-Y256 HydrophobicContact CZ-CG 4.11Å; F217-Y256 HydrophobicContact CD1-CE1 4.14Å; F217-Y256 HydrophobicContact CE1-CE1 4.07Å; P218-Y256 HydrophobicContact CB-CD1 4Å; P218-Y256 HydrophobicContact CB-CE1 4Å; P218-Y256 HydrophobicContact CG-CD1 4.5Å; P218-Y256 HydrophobicContact CG-CE1 4.04Å; Q221-Y256 HydrophobicContact CB-CD1 4.11Å; Q221-Y256 HydrophobicContact CB-CE1 4.44Å; Q221-Y256 HydrophobicContact CG-CD1 4.29Å; Q221-Y256 HydrophobicContact CG-CG 4.21Å; Q253-Y256 PolarHBondContact O-N 3.02Å; D254-Y256 VanDerWaalsContact C-N 3.26Å; D254-Y256 PolarHBondContact O-N 2.83Å; Y256-M259 WeakPolarHBondContact O-CB 3.47Å; Y256-M259 PolarHBondContact O-N 2.98Å; Y256-T260 PolarHBondContact O-N 3.36Å; Y256-T260 PolarHBondContact O-OG1 3.45Å
257	F	98.4	Very high	97.4	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.022	13%	0.127	C	C	.	.	H	α-helix	trans	-85.2	-21.8	-172	-55.2	-58.1	0	0	0	113.4	Y96 Q221 I247 Q253 D254 T260 R261 L274	Y96-F257 AromaticContact CE1-CE1 3.68Å; Y96-F257 HydrophobicContact CE1-CE1 3.68Å; Y96-F257 HydrophobicContact CE1-CZ 4.03Å; Q221-F257 HydrophobicContact CG-CE1 4.4Å; Q221-F257 HydrophobicContact CG-CZ 4.34Å; I247-F257 HydrophobicContact CD1-CD1 3.55Å; I247-F257 HydrophobicContact CD1-CD2 4.5Å; I247-F257 HydrophobicContact CD1-CE1 3.68Å; I247-F257 HydrophobicContact CD1-CG 4Å; I247-F257 HydrophobicContact CD1-CZ 4.17Å; I247-F257 HydrophobicContact CG2-CD2 4.16Å; I247-F257 HydrophobicContact CG2-CE1 4.39Å; I247-F257 HydrophobicContact CG2-CE2 3.69Å; I247-F257 HydrophobicContact CG2-CZ 3.82Å; Q253-F257 HydrophobicContact CB-CD2 4.36Å; Q253-F257 HydrophobicContact CB-CE2 3.94Å; Q253-F257 WeakPolarHBondContact O-CD2 3.49Å; D254-F257 PolarHBondContact O-N 3.4Å; F257-T260 PolarHBondContact O-N 3.45Å; F257-R261 WeakPolarHBondContact O-CB 3.04Å; F257-R261 WeakPolarHBondContact O-CG 2.9Å; F257-R261 PolarHBondContact O-N 2.94Å; F257-L274 HydrophobicContact CB-CD1 3.94Å; F257-L274 HydrophobicContact CB-CD2 3.38Å; F257-L274 HydrophobicContact CB-CG 4.25Å; F257-L274 HydrophobicContact CD2-CD2 3.35Å; F257-L274 HydrophobicContact CE2-CD2 4.3Å; F257-L274 HydrophobicContact CG-CD2 3.54Å
258	R	97.2	Very high	97.2	Very high	51 Å²	51	28.5 Å²	28.5	19%	0.192	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-47.9	165	-173.9	176.3	176.2	176.5	0.1	109.9	D254 T260 R261 D262	D254-R258 WeakPolarHBondContact O-CB 3.4Å; D254-R258 PolarHBondContact O-N 2.99Å; R258-T260 PolarHBondContact O-N 3.38Å; R258-R261 PolarHBondContact O-N 2.83Å; R258-D262 PolarHBondContact O-N 3.06Å
259	M	98.1	Very high	97.1	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-46	171.2	-175.5	-159.6	69.9	0	0	111.5	V195 I203 F204 P218 A222 P255 Y256 R261 D262 V263	V195-M259 HydrophobicContact CB-SD 4.39Å; V195-M259 HydrophobicContact CG1-CG 4.33Å; V195-M259 HydrophobicContact CG1-SD 3.78Å; V195-M259 HydrophobicContact CG2-CE 4.5Å; V195-M259 HydrophobicContact CG2-CG 3.93Å; V195-M259 HydrophobicContact CG2-SD 3.78Å; I203-M259 HydrophobicContact CD1-CB 4.03Å; I203-M259 HydrophobicContact CD1-CG 4.18Å; F204-M259 HydrophobicContact CE2-SD 4.01Å; F204-M259 HydrophobicContact CZ-SD 4.41Å; P218-M259 HydrophobicContact CB-CE 3.7Å; P218-M259 HydrophobicContact CB-SD 3.81Å; P218-M259 WeakPolarHBondContact O-CE 3.3Å; A222-M259 HydrophobicContact CB-CE 3.96Å; P255-M259 PolarHBondContact O-N 2.83Å; Y256-M259 WeakPolarHBondContact O-CB 3.47Å; Y256-M259 PolarHBondContact O-N 2.98Å; M259-R261 VanDerWaalsContact C-N 3.31Å; M259-R261 PolarHBondContact O-N 2.98Å; M259-D262 PolarHBondContact O-N 3.2Å; M259-D262 VanDerWaalsContact O-N 3.17Å; M259-V263 PolarHBondContact O-N 2.96Å
260	T	98.7	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-41	178.1	-53.2	0	0	0	0	112.7	A222 F226 Y256 F257 R258 D262 V263 A264 P272	A222-T260 HydrophobicContact CB-CG2 4.02Å; A222-T260 WeakPolarHBondContact CB-OG1 3.5Å; F226-T260 HydrophobicContact CE1-CG2 4.43Å; F226-T260 HydrophobicContact CE2-CG2 3.94Å; F226-T260 HydrophobicContact CZ-CG2 3.58Å; Y256-T260 PolarHBondContact O-N 3.36Å; Y256-T260 PolarHBondContact O-OG1 3.45Å; F257-T260 PolarHBondContact O-N 3.45Å; R258-T260 PolarHBondContact O-N 3.38Å; T260-D262 VanDerWaalsContact C-N 3.3Å; T260-D262 PolarHBondContact O-N 3.19Å; T260-V263 WeakPolarHBondContact O-CG2 3.49Å; T260-V263 PolarHBondContact O-N 3.44Å; T260-A264 WeakPolarHBondContact O-CB 3.47Å; T260-A264 PolarHBondContact O-N 3.08Å; T260-P272 HydrophobicContact CG2-CG 3.89Å
261	R	98.5	Very high	97.2	Very high	24 Å²	24	35.6 Å²	35.6	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-67.7	-28.3	179.4	-73.3	172.2	60.6	76.2	1.1	113	D79 F257 R258 M259 P265 K271 P272	D79-R261 VanDerWaalsContact CG-NH1 3.32Å; D79-R261 IonicContact OD1-CZ 3.23Å; D79-R261 IonicContact OD1-NH1 3.98Å; D79-R261 IonicContact OD1-NH2 2.82Å; D79-R261 PolarHBondContact OD1-NH2 2.84Å; D79-R261 IonicContact OD2-CZ 2.68Å; D79-R261 IonicContact OD2-NH1 2.74Å; D79-R261 PolarHBondContact OD2-NH1 3.12Å; D79-R261 IonicContact OD2-NH2 3.47Å; D79-R261 PolarHBondContact OD2-NH2 3.36Å; F257-R261 WeakPolarHBondContact O-CB 3.04Å; F257-R261 WeakPolarHBondContact O-CG 2.9Å; F257-R261 PolarHBondContact O-N 2.94Å; R258-R261 PolarHBondContact O-N 2.83Å; M259-R261 VanDerWaalsContact C-N 3.31Å; M259-R261 PolarHBondContact O-N 2.98Å; R261-P265 VanDerWaalsContact O-CD 3.23Å; R261-P265 WeakPolarHBondContact O-CD 3.27Å; R261-K271 HydrophobicContact CB-CD 4.28Å; R261-K271 HydrophobicContact CB-CG 4.4Å; R261-K271 HydrophobicContact CG-CB 4.18Å; R261-K271 VanDerWaalsContact O-CE 3.29Å; R261-K271 WeakPolarHBondContact O-CE 3.41Å; R261-P272 HydrophobicContact CG-CG 3.97Å; R261-P272 PolarHBondContact NH1-O 2.82Å
262	D	97.5	Very high	97.3	Very high	92 Å²	92	35.6 Å²	35.6	49%	0.492	19%	0.186	S	C	.	.	H	α-helix	trans	-77.4	-32	175.9	-71.5	-18.4	0	0	0	112.4	R258 M259 T260	R258-D262 PolarHBondContact O-N 3.06Å; M259-D262 PolarHBondContact O-N 3.2Å; M259-D262 VanDerWaalsContact O-N 3.17Å; T260-D262 VanDerWaalsContact C-N 3.3Å; T260-D262 PolarHBondContact O-N 3.19Å
263	V	97.7	Very high	97.5	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-82.4	-32.8	177.7	-59.2	0	0	0	0	113.3	I191 L194 V195 M259 T260 R266 L267	I191-V263 HydrophobicContact CG1-CG2 4.4Å; I191-V263 HydrophobicContact CG2-CG2 4.21Å; L194-V263 HydrophobicContact CB-CB 4.42Å; L194-V263 HydrophobicContact CB-CG1 3.98Å; L194-V263 HydrophobicContact CD1-CB 4.21Å; V195-V263 HydrophobicContact CG2-CG1 3.63Å; M259-V263 PolarHBondContact O-N 2.96Å; T260-V263 WeakPolarHBondContact O-CG2 3.49Å; T260-V263 PolarHBondContact O-N 3.44Å; V263-R266 WeakPolarHBondContact O-CB 3.29Å; V263-R266 PolarHBondContact O-N 3.47Å; V263-L267 PolarHBondContact O-N 2.77Å
264	A	98.2	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-48.5	-54.3	-176.3	0	0	0	0	0	114.5	F226 T260 R266 L267 G268 L269 K271	F226-A264 HydrophobicContact CE1-CB 3.72Å; F226-A264 HydrophobicContact CZ-CB 3.92Å; T260-A264 WeakPolarHBondContact O-CB 3.47Å; T260-A264 PolarHBondContact O-N 3.08Å; A264-R266 PolarHBondContact O-N 2.78Å; A264-L267 PolarHBondContact O-N 3.02Å; A264-G268 PolarHBondContact O-N 3.37Å; A264-L269 CarbonylContact C-O 3.59Å; A264-L269 VanDerWaalsContact C-O 3.3Å; A264-L269 PolarHBondContact O-N 3.41Å; A264-K271 HydrophobicContact CB-CG 4.24Å
265	P	97.4	Very high	97.7	Very high	75 Å²	75	33 Å²	33	49%	0.487	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-65.1	-26.9	-179.4	25.8	-35.3	0	0	0	113.2	R261 L267 G268	R261-P265 VanDerWaalsContact O-CD 3.23Å; R261-P265 WeakPolarHBondContact O-CD 3.27Å; P265-L267 PolarHBondContact O-N 3.22Å; P265-G268 PolarHBondContact O-N 3.38Å
266	R	97.1	Very high	97.8	Very high	143 Å²	143	32.6 Å²	32.6	54%	0.54	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-73.6	-17	176.6	-62.5	170.3	67.2	-165.7	-0.3	112.4	L194 V263 A264	L194-R266 HydrophobicContact CD1-CB 3.79Å; L194-R266 HydrophobicContact CD2-CB 4.48Å; L194-R266 VanDerWaalsContact CD2-NH2 3.35Å; L194-R266 PolarHBondContact O-NH1 2.88Å; V263-R266 WeakPolarHBondContact O-CB 3.29Å; V263-R266 PolarHBondContact O-N 3.47Å; A264-R266 PolarHBondContact O-N 2.78Å
267	L	95.7	Very high	97.7	Very high	39 Å²	39	32.6 Å²	32.6	20%	0.204	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-96.4	-2.1	172.1	-63.3	176.7	0	0	0	112.8	Q190 I191 L194 V263 A264 P265 L269	Q190-L267 HydrophobicContact CB-CD1 4.41Å; Q190-L267 HydrophobicContact CB-CD2 3.81Å; Q190-L267 HydrophobicContact CG-CD2 4.45Å; I191-L267 HydrophobicContact CG1-CD1 3.92Å; L194-L267 HydrophobicContact CD1-CD1 4.28Å; L194-L267 HydrophobicContact CD1-CD2 3.44Å; L194-L267 VanDerWaalsContact CD1-CD2 3.44Å; L194-L267 HydrophobicContact CD1-CG 3.58Å; L194-L267 HydrophobicContact CG-CD2 4.46Å; V263-L267 PolarHBondContact O-N 2.77Å; A264-L267 PolarHBondContact O-N 3.02Å; P265-L267 PolarHBondContact O-N 3.22Å; L267-L269 VanDerWaalsContact C-N 3.27Å; L267-L269 HydrophobicContact CB-CB 4.46Å; L267-L269 HydrophobicContact CB-CD1 3.8Å; L267-L269 HydrophobicContact CB-CG 3.9Å; L267-L269 HydrophobicContact CD1-CD1 4.12Å
268	G	95.6	Very high	97.6	Very high	61 Å²	61	33.3 Å²	33.3	63%	0.629	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	22.3	-172	0	0	0	0	0	113.4	A264 P265	A264-G268 PolarHBondContact O-N 3.37Å; P265-G268 PolarHBondContact O-N 3.38Å
269	L	96.3	Very high	97.5	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.089	17%	0.171	C	C	.	.			trans	-108.6	156.5	-177.6	-59.1	173.8	0	0	0	111	F226 E241 A264 L267	F226-L269 HydrophobicContact CB-CD1 3.99Å; F226-L269 HydrophobicContact CD1-CB 3.78Å; F226-L269 HydrophobicContact CD1-CD1 3.54Å; F226-L269 HydrophobicContact CD1-CG 4.23Å; F226-L269 HydrophobicContact CD2-CD1 4.06Å; F226-L269 HydrophobicContact CE1-CB 3.84Å; F226-L269 HydrophobicContact CE1-CD1 3.97Å; F226-L269 HydrophobicContact CE2-CD1 4.44Å; F226-L269 HydrophobicContact CG-CD1 3.58Å; F226-L269 HydrophobicContact CZ-CD1 4.4Å; E241-L269 HydrophobicContact CB-CD2 3.93Å; A264-L269 CarbonylContact C-O 3.59Å; A264-L269 VanDerWaalsContact C-O 3.3Å; A264-L269 PolarHBondContact O-N 3.41Å; L267-L269 VanDerWaalsContact C-N 3.27Å; L267-L269 HydrophobicContact CB-CB 4.46Å; L267-L269 HydrophobicContact CB-CD1 3.8Å; L267-L269 HydrophobicContact CB-CG 3.9Å; L267-L269 HydrophobicContact CD1-CD1 4.12Å
270	L	97	Very high	97.2	Very high	68 Å²	68	31.9 Å²	31.9	36%	0.356	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-70.4	143.1	174.8	-63.4	173.4	0	0	0	111.3	E241 D242	E241-L270 WeakPolarHBondContact O-CG 3.4Å; D242-L270 VanDerWaalsContact C-CD1 3.44Å; D242-L270 WeakPolarHBondContact O-CD1 3.23Å
271	K	98.4	Very high	96.8	Very high	91 Å²	91	32.3 Å²	32.3	40%	0.396	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-65.4	134.3	171.1	-66.4	-173.6	178.8	-172.9	0	109.3	R261 A264	R261-K271 HydrophobicContact CB-CD 4.28Å; R261-K271 HydrophobicContact CB-CG 4.4Å; R261-K271 HydrophobicContact CG-CB 4.18Å; R261-K271 VanDerWaalsContact O-CE 3.29Å; R261-K271 WeakPolarHBondContact O-CE 3.41Å; A264-K271 HydrophobicContact CB-CG 4.24Å
272	P	98.6	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-66.4	139.9	170.4	27.5	-33.8	0	0	0	110.3	C245 I247 T260 R261	C245-P272 HydrophobicContact CB-CB 4.17Å; I247-P272 HydrophobicContact CD1-CB 3.69Å; I247-P272 HydrophobicContact CD1-CG 4.26Å; I247-P272 HydrophobicContact CG1-CB 4.31Å; T260-P272 HydrophobicContact CG2-CG 3.89Å; R261-P272 HydrophobicContact CG-CG 3.97Å; R261-P272 PolarHBondContact NH1-O 2.82Å
273	S	98.7	Very high	96.3	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	149.8	169	-61.1	0	0	0	0	109.8	R78 D79 I83 C245 L246 I247	R78-S273 CarbonylContact O-C 3.28Å; R78-S273 VanDerWaalsContact O-CA 3.22Å; R78-S273 WeakPolarHBondContact O-CA 3.41Å; R78-S273 WeakPolarHBondContact O-CB 3.49Å; D79-S273 WeakPolarHBondContact O-CB 3.15Å; D79-S273 PolarHBondContact O-OG 2.93Å; I83-S273 VanDerWaalsContact CG1-CB 3.44Å; I83-S273 WeakPolarHBondContact CG1-OG 3.29Å; C245-S273 PolarHBondContact O-N 3.34Å; L246-S273 CarbonylContact C-O 3.49Å; L246-S273 WeakPolarHBondContact CA-O 3.3Å; I247-S273 PolarHBondContact N-O 3.5Å
274	L	98.8	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.9	-176.3	-66.4	107.6	0	0	0	111.4	H77 R78 I247 F257 Y276	H77-L274 CarbonylContact C-O 3.56Å; H77-L274 WeakPolarHBondContact CA-O 3.48Å; H77-L274 WeakPolarHBondContact CB-O 3.5Å; R78-L274 HydrophobicContact CB-CB 4.36Å; R78-L274 HydrophobicContact CB-CD1 4.09Å; R78-L274 HydrophobicContact CG-CD1 4.47Å; R78-L274 PolarHBondContact N-O 3.42Å; R78-L274 PolarHBondContact O-N 3.44Å; I247-L274 HydrophobicContact CB-CD2 3.94Å; I247-L274 HydrophobicContact CB-CG 4.1Å; I247-L274 HydrophobicContact CD1-CD2 4.43Å; I247-L274 HydrophobicContact CG2-CD2 4.15Å; I247-L274 WeakPolarHBondContact O-CA 3.42Å; F257-L274 HydrophobicContact CB-CD1 3.94Å; F257-L274 HydrophobicContact CB-CD2 3.38Å; F257-L274 HydrophobicContact CB-CG 4.25Å; F257-L274 HydrophobicContact CD2-CD2 3.35Å; F257-L274 HydrophobicContact CE2-CD2 4.3Å; F257-L274 HydrophobicContact CG-CD2 3.54Å; L274-Y276 HydrophobicContact CB-CE1 3.85Å; L274-Y276 HydrophobicContact CB-CE2 3.99Å; L274-Y276 VanDerWaalsContact CB-CZ 3.45Å; L274-Y276 VanDerWaalsContact CB-OH 3.3Å; L274-Y276 WeakPolarHBondContact CB-OH 3.26Å; L274-Y276 WeakPolarHBondContact CD1-OH 3.33Å; L274-Y276 HydrophobicContact CD2-CE1 3.61Å; L274-Y276 WeakPolarHBondContact CD2-OH 3.2Å; L274-Y276 HydrophobicContact CG-CE1 4.3Å
275	I	98.7	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.3	161.2	58.2	175.7	0	0	0	108	I49 F74 S76 H77 F80 I116 F120 L246 I247 P248 C249	I49-I275 HydrophobicContact CD1-CB 4.47Å; I49-I275 HydrophobicContact CD1-CG2 4.2Å; F74-I275 HydrophobicContact CD1-CB 3.93Å; F74-I275 HydrophobicContact CD1-CD1 3.84Å; F74-I275 HydrophobicContact CD1-CG1 3.68Å; F74-I275 HydrophobicContact CE1-CD1 4.19Å; F74-I275 HydrophobicContact CE1-CG1 3.97Å; F74-I275 HydrophobicContact CG-CD1 4.33Å; S76-I275 WeakPolarHBondContact O-CA 3.43Å; H77-I275 HydrophobicContact CB-CG2 4.13Å; F80-I275 HydrophobicContact CB-CG2 4.13Å; F80-I275 HydrophobicContact CD1-CG2 3.95Å; F80-I275 HydrophobicContact CD2-CG2 3.72Å; F80-I275 HydrophobicContact CE1-CG2 4.29Å; F80-I275 HydrophobicContact CE2-CG2 4.08Å; F80-I275 HydrophobicContact CG-CG2 3.67Å; F80-I275 HydrophobicContact CZ-CG2 4.35Å; I116-I275 HydrophobicContact CG1-CD1 4.4Å; F120-I275 HydrophobicContact CE2-CD1 3.55Å; F120-I275 HydrophobicContact CZ-CD1 4.1Å; L246-I275 HydrophobicContact CD1-CG1 4.33Å; L246-I275 HydrophobicContact CD1-CG2 4.2Å; I247-I275 PolarHBondContact O-N 3.07Å; P248-I275 HydrophobicContact CB-CD1 3.96Å; P248-I275 HydrophobicContact CB-CG1 3.77Å; P248-I275 HydrophobicContact CG-CD1 4.07Å; P248-I275 HydrophobicContact CG-CG1 4.07Å; C249-I275 PolarHBondContact N-O 3.49Å
276	Y	98.4	Very high	94.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.2	-175.2	-52.1	-71.9	0	0	0	111.7	C46 F74 F75 S76 R78 C249 I251 D254 L274	C46-Y276 HydrophobicContact CB-CD2 4.49Å; C46-Y276 HydrophobicContact CB-CE2 4.02Å; F74-Y276 CarbonylContact C-O 3.54Å; F74-Y276 VanDerWaalsContact CA-O 3.29Å; F74-Y276 WeakPolarHBondContact CA-O 3.35Å; F75-Y276 VanDerWaalsContact CD1-O 3.3Å; F75-Y276 WeakPolarHBondContact CD1-O 3.32Å; F75-Y276 PolarHBondContact N-O 2.79Å; S76-Y276 PolarHBondContact O-N 3.12Å; S76-Y276 WeakPolarHBondContact OG-CB 3.26Å; S76-Y276 WeakPolarHBondContact OG-CD2 3.45Å; R78-Y276 VanDerWaalsContact CD-OH 3.3Å; R78-Y276 WeakPolarHBondContact CD-OH 3.48Å; R78-Y276 HydrophobicContact CG-CE2 4.08Å; R78-Y276 PolarHBondContact NE-OH 3.23Å; C249-Y276 CarbonylContact O-C 3.48Å; C249-Y276 VanDerWaalsContact O-CA 3.26Å; C249-Y276 WeakPolarHBondContact O-CA 3.47Å; I251-Y276 HydrophobicContact CB-CD1 4.47Å; I251-Y276 HydrophobicContact CB-CG 4.29Å; I251-Y276 HydrophobicContact CG1-CD1 4.44Å; I251-Y276 HydrophobicContact CG1-CG 4.19Å; D254-Y276 HydrophobicContact CB-CE1 3.85Å; D254-Y276 PolarHBondContact OD1-OH 3.39Å; L274-Y276 HydrophobicContact CB-CE1 3.85Å; L274-Y276 HydrophobicContact CB-CE2 3.99Å; L274-Y276 VanDerWaalsContact CB-CZ 3.45Å; L274-Y276 VanDerWaalsContact CB-OH 3.3Å; L274-Y276 WeakPolarHBondContact CB-OH 3.26Å; L274-Y276 WeakPolarHBondContact CD1-OH 3.33Å; L274-Y276 HydrophobicContact CD2-CE1 3.61Å; L274-Y276 WeakPolarHBondContact CD2-OH 3.2Å; L274-Y276 HydrophobicContact CG-CE1 4.3Å
277	S	98	Very high	93.9	Very high	3 Å²	3	26 Å²	26	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	153.5	169.3	79.5	0	0	0	0	112	I73 C249 A250 I251	I73-S277 CarbonylContact O-C 3.49Å; I73-S277 WeakPolarHBondContact O-CA 3.09Å; C249-S277 PolarHBondContact O-N 3.41Å; A250-S277 WeakPolarHBondContact CA-OG 3.42Å; I251-S277 PolarHBondContact N-O 3.29Å
278	V	95.8	Very high	93.1	Very high	19 Å²	19	27.6 Å²	27.6	12%	0.115	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-60.2	162.6	156.8	-60.2	0	0	0	0	110.2	Y37 I73 F75 F345	Y37-V278 HydrophobicContact CD1-CG1 3.98Å; Y37-V278 HydrophobicContact CD2-CB 4.44Å; Y37-V278 HydrophobicContact CD2-CG1 3.72Å; Y37-V278 HydrophobicContact CE1-CB 3.83Å; Y37-V278 HydrophobicContact CE1-CG1 3.81Å; Y37-V278 HydrophobicContact CE2-CB 3.77Å; Y37-V278 HydrophobicContact CE2-CG1 3.55Å; Y37-V278 HydrophobicContact CG-CG1 3.94Å; Y37-V278 VanDerWaalsContact CZ-CB 3.43Å; Y37-V278 WeakPolarHBondContact OH-CB 3.4Å; I73-V278 HydrophobicContact CB-CG2 4.48Å; I73-V278 HydrophobicContact CD1-CG2 4.06Å; I73-V278 HydrophobicContact CG2-CG2 3.94Å; I73-V278 PolarHBondContact O-N 3.48Å; F75-V278 HydrophobicContact CD1-CG1 3.6Å; F75-V278 HydrophobicContact CE1-CG1 4.02Å; F75-V278 HydrophobicContact CG-CG1 4.19Å; V278-F345 HydrophobicContact CG2-CE1 4.2Å; V278-F345 HydrophobicContact CG2-CZ 3.83Å
279	F	93.7	Very high	92.5	Very high	17 Å²	17	27 Å²	27	8%	0.075	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-74.3	141.1	173	-60.1	-61	0	0	0	111.4	V22 V27 V35 Y37 A250 I251 D252 K289	V22-F279 HydrophobicContact CG1-CE2 4.03Å; V22-F279 HydrophobicContact CG1-CZ 3.7Å; V22-F279 HydrophobicContact CG2-CE2 4.27Å; V27-F279 HydrophobicContact CB-CE2 4.34Å; V27-F279 HydrophobicContact CG1-CD2 3.64Å; V27-F279 HydrophobicContact CG1-CE2 3.6Å; V27-F279 HydrophobicContact CG1-CG 4.3Å; V27-F279 HydrophobicContact CG1-CZ 4.26Å; V27-F279 HydrophobicContact CG2-CD1 4.33Å; V27-F279 HydrophobicContact CG2-CD2 4.29Å; V27-F279 HydrophobicContact CG2-CE1 3.82Å; V27-F279 HydrophobicContact CG2-CE2 3.75Å; V27-F279 HydrophobicContact CG2-CZ 3.5Å; V35-F279 HydrophobicContact CG2-CD2 4.28Å; V35-F279 HydrophobicContact CG2-CE2 4.45Å; Y37-F279 HydrophobicContact CE1-CD2 4.18Å; Y37-F279 HydrophobicContact CE1-CE2 4.44Å; Y37-F279 WeakPolarHBondContact OH-CD2 3.36Å; Y37-F279 PolarHBondContact OH-N 2.88Å; A250-F279 HydrophobicContact CB-CD1 4.26Å; A250-F279 HydrophobicContact CB-CE1 4.11Å; I251-F279 HydrophobicContact CG2-CE1 4.19Å; I251-F279 HydrophobicContact CG2-CE2 3.84Å; I251-F279 HydrophobicContact CG2-CZ 3.49Å; I251-F279 VanDerWaalsContact CG2-CZ 3.49Å; D252-F279 HydrophobicContact CB-CE1 3.65Å; D252-F279 HydrophobicContact CB-CZ 3.77Å; F279-K289 HydrophobicContact CB-CB 4.06Å; F279-K289 HydrophobicContact CD1-CB 4.3Å; F279-K289 HydrophobicContact CD1-CD 4.21Å; F279-K289 HydrophobicContact CE1-CD 4.47Å; F279-K289 HydrophobicContact CG-CB 4.25Å
280	F	92.8	Very high	91.8	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.044	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-75.8	120.7	169.1	-166.9	-92.8	0	0	0	109.2	L108 V112 M290 Y342 F345 F346	L108-F280 HydrophobicContact CB-CE1 3.85Å; L108-F280 HydrophobicContact CB-CZ 3.93Å; L108-F280 HydrophobicContact CD1-CZ 4.36Å; V112-F280 HydrophobicContact CG2-CD2 4Å; F280-M290 HydrophobicContact CD1-CB 4.22Å; F280-M290 HydrophobicContact CD1-CE 3.77Å; F280-M290 HydrophobicContact CD1-SD 4.07Å; F280-M290 HydrophobicContact CE1-CE 3.53Å; F280-M290 HydrophobicContact CE1-SD 4.16Å; F280-M290 PolarHBondContact O-N 3.23Å; F280-Y342 AromaticContact CD1-CE1 3.9Å; F280-Y342 HydrophobicContact CD1-CE1 3.9Å; F280-Y342 AromaticContact CE1-CD1 3.66Å; F280-Y342 HydrophobicContact CE1-CD1 3.66Å; F280-Y342 HydrophobicContact CE1-CD2 4.13Å; F280-Y342 AromaticContact CE1-CE1 3.18Å; F280-Y342 HydrophobicContact CE1-CE1 3.18Å; F280-Y342 AromaticContact CE1-CE2 3.72Å; F280-Y342 HydrophobicContact CE1-CE2 3.72Å; F280-Y342 HydrophobicContact CE1-CG 4.13Å; F280-Y342 AromaticContact CE1-CZ 3.24Å; F280-Y342 AromaticContact CE2-CD1 3.91Å; F280-Y342 HydrophobicContact CE2-CD1 3.91Å; F280-Y342 HydrophobicContact CE2-CE1 4.23Å; F280-Y342 HydrophobicContact CE2-CG 4.27Å; F280-Y342 AromaticContact CZ-CD1 3.28Å; F280-Y342 HydrophobicContact CZ-CD1 3.28Å; F280-Y342 AromaticContact CZ-CD2 3.75Å; F280-Y342 HydrophobicContact CZ-CD2 3.75Å; F280-Y342 AromaticContact CZ-CE1 3.37Å; F280-Y342 HydrophobicContact CZ-CE1 3.37Å; F280-Y342 AromaticContact CZ-CE2 3.84Å; F280-Y342 HydrophobicContact CZ-CE2 3.84Å; F280-Y342 AromaticContact CZ-CG 3.5Å; F280-Y342 HydrophobicContact CZ-CG 3.5Å; F280-Y342 VanDerWaalsContact CZ-CG 3.5Å; F280-Y342 AromaticContact CZ-CZ 3.68Å; F280-F345 HydrophobicContact CD2-CB 4.33Å; F280-F345 AromaticContact CD2-CD1 3.76Å; F280-F345 HydrophobicContact CD2-CD1 3.76Å; F280-F345 AromaticContact CD2-CD2 3.75Å; F280-F345 HydrophobicContact CD2-CD2 3.75Å; F280-F345 AromaticContact CD2-CE1 3.86Å; F280-F345 HydrophobicContact CD2-CE1 3.86Å; F280-F345 AromaticContact CD2-CE2 3.9Å; F280-F345 HydrophobicContact CD2-CE2 3.9Å; F280-F345 AromaticContact CD2-CG 3.7Å; F280-F345 HydrophobicContact CD2-CG 3.7Å; F280-F345 AromaticContact CD2-CZ 3.95Å; F280-F345 HydrophobicContact CD2-CZ 3.95Å; F280-F345 HydrophobicContact CE2-CB 3.88Å; F280-F345 HydrophobicContact CE2-CD1 4.19Å; F280-F345 AromaticContact CE2-CD2 3.69Å; F280-F345 HydrophobicContact CE2-CD2 3.69Å; F280-F345 HydrophobicContact CE2-CE2 4.25Å; F280-F345 AromaticContact CE2-CG 3.68Å; F280-F345 HydrophobicContact CE2-CG 3.68Å; F280-F346 HydrophobicContact CE2-CD2 4.29Å; F280-F346 AromaticContact CE2-CE2 3.51Å; F280-F346 HydrophobicContact CE2-CE2 3.51Å; F280-F346 HydrophobicContact CE2-CZ 4.29Å; F280-F346 HydrophobicContact CZ-CD2 4.49Å; F280-F346 AromaticContact CZ-CE2 3.64Å; F280-F346 HydrophobicContact CZ-CE2 3.64Å; F280-F346 HydrophobicContact CZ-CZ 4.5Å
281	P	91.1	Very high	90.9	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.058	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	146.5	-170.8	18	-21.2	0	0	0	112	N286 Q341 Y342	P281-N286 VanDerWaalsContact CB-OD1 3.31Å; P281-N286 WeakPolarHBondContact CB-OD1 3.42Å; P281-Q341 HydrophobicContact CG-CB 3.92Å; P281-Q341 HydrophobicContact CG-CG 4.5Å; P281-Y342 HydrophobicContact CB-CE1 4.5Å; P281-Y342 HydrophobicContact CG-CD1 4.19Å; P281-Y342 HydrophobicContact CG-CE1 3.84Å; P281-Y342 VanDerWaalsContact O-CE1 3.23Å; P281-Y342 WeakPolarHBondContact O-CE1 3.27Å; P281-Y342 PolarHBondContact O-OH 3.17Å
282	A	91.9	Very high	89.9	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	159.6	168.7	0	0	0	0	0	110.5	Q284 G285 T288	A282-Q284 PolarHBondContact O-N 3.05Å; A282-G285 PolarHBondContact N-O 2.8Å; A282-G285 PolarHBondContact O-N 3.35Å; A282-G285 VanDerWaalsContact O-N 3.13Å; A282-T288 PolarHBondContact N-O 3.34Å
283	L	93.2	Very high	88.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.4	178.9	-75.1	171	0	0	0	112.1	G285 N296 T297 V299 K311 I312 Y315 A316 Y317 Y342	L283-G285 VanDerWaalsContact C-N 3.27Å; L283-G285 PolarHBondContact O-N 2.87Å; L283-N296 WeakPolarHBondContact CD1-O 3.42Å; L283-T297 WeakPolarHBondContact CG-O 3.24Å; L283-T297 PolarHBondContact N-O 2.9Å; L283-T297 VanDerWaalsContact N-O 3.11Å; L283-V299 HydrophobicContact CD1-CG2 4.22Å; L283-V299 HydrophobicContact CD2-CG2 4.31Å; L283-K311 HydrophobicContact CD1-CB 3.92Å; L283-I312 HydrophobicContact CD2-CD1 3.78Å; L283-Y315 CarbonylContact C-O 3.55Å; L283-Y315 VanDerWaalsContact C-O 3.28Å; L283-A316 HydrophobicContact CD2-CB 3.99Å; L283-A316 CarbonylContact O-C 3.53Å; L283-A316 VanDerWaalsContact O-CA 3.22Å; L283-A316 WeakPolarHBondContact O-CA 3.44Å; L283-Y317 PolarHBondContact O-N 3.35Å; L283-Y342 HydrophobicContact CD2-CE2 3.82Å; L283-Y342 PolarHBondContact N-OH 2.93Å
284	Q	90.1	Very high	87.6	Confident	77 Å²	77	30.5 Å²	30.5	36%	0.36	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.9	-176.5	-67.3	73.3	13.7	0	0	114	A282 T297 Y317	A282-Q284 PolarHBondContact O-N 3.05Å; Q284-T297 VanDerWaalsContact CD-CG2 3.42Å; Q284-T297 VanDerWaalsContact NE2-CG2 3.29Å; Q284-Y317 WeakPolarHBondContact O-CB 3.49Å
285	G	86.9	Confident	86.5	Confident	7 Å²	7	34.1 Å²	34.1	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.7	-177.6	178.6	0	0	0	0	0	114.2	A282 L283 Q287	A282-G285 PolarHBondContact N-O 2.8Å; A282-G285 PolarHBondContact O-N 3.35Å; A282-G285 VanDerWaalsContact O-N 3.13Å; L283-G285 VanDerWaalsContact C-N 3.27Å; L283-G285 PolarHBondContact O-N 2.87Å; G285-Q287 VanDerWaalsContact C-N 3.31Å; G285-Q287 PolarHBondContact O-N 3.17Å
286	N	82.3	Confident	85.6	Confident	24 Å²	24	38 Å²	38	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-3.3	-173.7	-63.1	-13.6	0	0	0	114.4	S33 G34 P281 T288 D335	S33-N286 PolarHBondContact O-ND2 3.01Å; G34-N286 WeakPolarHBondContact CA-O 3.22Å; P281-N286 VanDerWaalsContact CB-OD1 3.31Å; P281-N286 WeakPolarHBondContact CB-OD1 3.42Å; N286-T288 VanDerWaalsContact C-N 3.28Å; N286-T288 PolarHBondContact O-N 2.97Å; N286-D335 PolarHBondContact ND2-O 3.35Å
287	Q	80.8	Confident	84.6	Confident	98 Å²	98	38.8 Å²	38.8	46%	0.458	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-21.7	-175.2	-69.5	165.8	-14.4	0	0	113.7	T29 G285	T29-Q287 HydrophobicContact CG2-CB 4.47Å; T29-Q287 PolarHBondContact N-O 3.37Å; G285-Q287 VanDerWaalsContact C-N 3.31Å; G285-Q287 PolarHBondContact O-N 3.17Å
288	T	79.2	Confident	84.3	Confident	71 Å²	71	38.7 Å²	38.7	44%	0.436	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.7	-179.6	59.3	0	0	0	0	110.3	A282 N286	A282-T288 PolarHBondContact N-O 3.34Å; N286-T288 VanDerWaalsContact C-N 3.28Å; N286-T288 PolarHBondContact O-N 2.97Å
289	K	82.2	Confident	84.2	Confident	49 Å²	49	37.8 Å²	37.8	21%	0.213	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	148.4	171	70.5	179.9	178.1	-166.6	0	110.7	V27 D252 F279 S291	V27-K289 HydrophobicContact CB-CB 4.39Å; V27-K289 HydrophobicContact CB-CD 4.01Å; V27-K289 HydrophobicContact CB-CG 4.11Å; V27-K289 HydrophobicContact CG2-CD 3.68Å; V27-K289 HydrophobicContact CG2-CG 4.34Å; D252-K289 IonicContact OD2-NZ 3.92Å; D252-K289 PolarHBondContact OD2-NZ 3.48Å; F279-K289 HydrophobicContact CB-CB 4.06Å; F279-K289 HydrophobicContact CD1-CB 4.3Å; F279-K289 HydrophobicContact CD1-CD 4.21Å; F279-K289 HydrophobicContact CE1-CD 4.47Å; F279-K289 HydrophobicContact CG-CB 4.25Å; K289-S291 PolarHBondContact O-N 2.84Å
290	M	81.1	Confident	84.3	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.049	22%	0.219	C	C	.	.			trans	-55.8	132.6	171.1	-175.1	174.3	-73.4	0	0	110.4	H107 L108 F280 S298 Y342	H107-M290 HydrophobicContact CB-SD 3.85Å; H107-M290 PolarHBondContact NE2-O 2.86Å; L108-M290 HydrophobicContact CB-SD 4.49Å; F280-M290 HydrophobicContact CD1-CB 4.22Å; F280-M290 HydrophobicContact CD1-CE 3.77Å; F280-M290 HydrophobicContact CD1-SD 4.07Å; F280-M290 HydrophobicContact CE1-CE 3.53Å; F280-M290 HydrophobicContact CE1-SD 4.16Å; F280-M290 PolarHBondContact O-N 3.23Å; M290-S298 WeakPolarHBondContact CG-OG 3.45Å; M290-Y342 HydrophobicContact CE-CE2 4.26Å; M290-Y342 WeakPolarHBondContact CE-OH 3.31Å
291	S	78.9	Confident	84.5	Confident	43 Å²	43	37.7 Å²	37.7	30%	0.301	22%	0.218	S	C	.	.			trans	-139.7	140.2	-173.8	163.4	0	0	0	0	110.7	K289 S293 S298	K289-S291 PolarHBondContact O-N 2.84Å; S291-S293 PolarHBondContact O-N 3.25Å; S291-S293 WeakPolarHBondContact OG-CB 3.35Å; S291-S293 PolarHBondContact OG-N 2.79Å; S291-S293 PolarHBondContact OG-OG 2.71Å; S291-S298 PolarHBondContact O-OG 2.72Å
292	A	76.7	Confident	84.8	Confident	28 Å²	28	40.8 Å²	40.8	23%	0.231	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.6	174.2	0	0	0	0	0	114	N294 F300	A292-N294 VanDerWaalsContact C-N 3.27Å; A292-N294 PolarHBondContact O-N 3.04Å; A292-F300 HydrophobicContact CB-CE1 4.33Å
293	S	74.2	Confident	85	Confident	107 Å²	107	41 Å²	41	75%	0.748	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.4	-176.8	59.6	0	0	0	0	114.3	S291	S291-S293 PolarHBondContact O-N 3.25Å; S291-S293 WeakPolarHBondContact OG-CB 3.35Å; S291-S293 PolarHBondContact OG-N 2.79Å; S291-S293 PolarHBondContact OG-OG 2.71Å
294	N	74.8	Confident	85.3	Confident	67 Å²	67	44.1 Å²	44.1	36%	0.358	26%	0.257	S	S	.	.	S	Bend	trans	-124.6	106.3	174	-175.8	-21.1	0	0	0	109.6	A292 N296 T297	A292-N294 VanDerWaalsContact C-N 3.27Å; A292-N294 PolarHBondContact O-N 3.04Å; N294-N296 PolarHBondContact O-N 3.43Å; N294-N296 WeakPolarHBondContact OD1-CB 3.46Å; N294-N296 PolarHBondContact OD1-N 3.25Å; N294-T297 HydrophobicContact CB-CG2 3.52Å; N294-T297 VanDerWaalsContact ND2-CG2 3.33Å; N294-T297 WeakPolarHBondContact ND2-CG2 3.37Å; N294-T297 PolarHBondContact O-N 3.26Å; N294-T297 PolarHBondContact O-OG1 2.59Å
295	P	76.2	Confident	85.7	Confident	77 Å²	77	43.3 Å²	43.3	50%	0.5	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.7	-176.8	-27.2	34.8	0	0	0	114.9	F300 K311	P295-F300 HydrophobicContact CB-CE2 4.32Å; P295-K311 WeakPolarHBondContact O-CE 3.28Å; P295-K311 PolarHBondContact O-NZ 2.69Å; P295-K311 VanDerWaalsContact O-NZ 3.13Å
296	N	78.7	Confident	86.2	Confident	80 Å²	80	50.1 Å²	50.1	43%	0.428	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-12.6	179.5	-63.6	-50.8	0	0	0	113.6	L283 N294 Y315	L283-N296 WeakPolarHBondContact CD1-O 3.42Å; N294-N296 PolarHBondContact O-N 3.43Å; N294-N296 WeakPolarHBondContact OD1-CB 3.46Å; N294-N296 PolarHBondContact OD1-N 3.25Å; N296-Y315 HydrophobicContact CB-CD2 4.39Å; N296-Y315 HydrophobicContact CB-CE2 4.07Å; N296-Y315 WeakPolarHBondContact O-CD2 3.37Å
297	T	78.1	Confident	86.9	Confident	18 Å²	18	53.1 Å²	53.1	11%	0.11	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7	179.4	68	0	0	0	0	112.3	L283 Q284 N294	L283-T297 WeakPolarHBondContact CG-O 3.24Å; L283-T297 PolarHBondContact N-O 2.9Å; L283-T297 VanDerWaalsContact N-O 3.11Å; Q284-T297 VanDerWaalsContact CD-CG2 3.42Å; Q284-T297 VanDerWaalsContact NE2-CG2 3.29Å; N294-T297 HydrophobicContact CB-CG2 3.52Å; N294-T297 VanDerWaalsContact ND2-CG2 3.33Å; N294-T297 WeakPolarHBondContact ND2-CG2 3.37Å; N294-T297 PolarHBondContact O-N 3.26Å; N294-T297 PolarHBondContact O-OG1 2.59Å
298	S	90.5	Very high	87.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.277	C	S	.	.			trans	-127.9	140.1	-171.3	-64.6	0	0	0	0	112.2	M290 S291 K311	M290-S298 WeakPolarHBondContact CG-OG 3.45Å; S291-S298 PolarHBondContact O-OG 2.72Å; S298-K311 WeakPolarHBondContact O-CD 3.24Å; S298-K311 WeakPolarHBondContact O-CE 3.46Å; S298-K311 PolarHBondContact O-NZ 3.34Å
299	V	95.1	Very high	88.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.			trans	-95.1	116.1	166.8	-180	0	0	0	0	108	H107 L108 L283 D303 I308 K311 I312	H107-V299 CarbonylContact C-O 3.6Å; H107-V299 VanDerWaalsContact CA-O 3.24Å; H107-V299 WeakPolarHBondContact CA-O 3.48Å; H107-V299 VanDerWaalsContact CB-O 3.28Å; H107-V299 WeakPolarHBondContact CB-O 3.13Å; L108-V299 HydrophobicContact CD1-CB 3.69Å; L108-V299 HydrophobicContact CD1-CG1 3.83Å; L108-V299 HydrophobicContact CD1-CG2 4.37Å; L108-V299 HydrophobicContact CG-CB 3.97Å; L108-V299 HydrophobicContact CG-CG1 4.08Å; L108-V299 PolarHBondContact N-O 2.9Å; L283-V299 HydrophobicContact CD1-CG2 4.22Å; L283-V299 HydrophobicContact CD2-CG2 4.31Å; V299-D303 WeakPolarHBondContact CA-OD2 3.48Å; V299-I308 HydrophobicContact CG1-CG1 4.07Å; V299-K311 HydrophobicContact CG2-CB 4.5Å; V299-K311 HydrophobicContact CG2-CD 4.43Å; V299-I312 HydrophobicContact CG2-CD1 4.24Å
300	F	96.1	Very high	89.3	Confident	24 Å²	24	53.5 Å²	53.5	11%	0.105	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-90.9	153.3	-179	-65.6	-86	0	0	0	111.1	A105 L106 H107 A292 P295 T302 D303	A105-F300 HydrophobicContact CB-CD1 4.42Å; L106-F300 WeakPolarHBondContact O-CA 3.46Å; H107-F300 HydrophobicContact CB-CD1 3.96Å; H107-F300 HydrophobicContact CB-CE1 4.2Å; A292-F300 HydrophobicContact CB-CE1 4.33Å; P295-F300 HydrophobicContact CB-CE2 4.32Å; F300-T302 PolarHBondContact O-N 3.29Å; F300-T302 VanDerWaalsContact O-N 3.14Å; F300-D303 PolarHBondContact N-OD2 2.87Å; F300-D303 WeakPolarHBondContact O-CB 3.41Å; F300-D303 PolarHBondContact O-N 3.01Å
301	L	97.2	Very high	90	Very high	1 Å²	1	54 Å²	54	1%	0.005	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.3	173.9	-59.8	-174.8	0	0	0	113.1	L106 L108 V111 F381 V382 H385 Q386	L106-L301 HydrophobicContact CB-CD1 3.76Å; L106-L301 HydrophobicContact CB-CG 4.24Å; L106-L301 WeakPolarHBondContact O-CG 3.35Å; L106-L301 PolarHBondContact O-N 3.49Å; L108-L301 HydrophobicContact CD2-CD2 4.01Å; V111-L301 HydrophobicContact CG2-CD1 3.7Å; V111-L301 HydrophobicContact CG2-CD2 4.11Å; V111-L301 HydrophobicContact CG2-CG 4.26Å; L301-F381 HydrophobicContact CD2-CE1 4.07Å; L301-V382 HydrophobicContact CD2-CG2 4.27Å; L301-V382 WeakPolarHBondContact O-CG1 3.21Å; L301-H385 WeakPolarHBondContact CD1-CE1 3.43Å; L301-H385 WeakPolarHBondContact CD1-NE2 3.36Å; L301-Q386 VanDerWaalsContact O-CG 3.24Å; L301-Q386 WeakPolarHBondContact O-CG 3.39Å; L301-Q386 PolarHBondContact O-NE2 2.95Å
302	T	96.2	Very high	90.9	Very high	74 Å²	74	52 Å²	52	45%	0.454	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.5	172.9	50.9	0	0	0	0	113.5	A105 F300 T304	A105-T302 HydrophobicContact CB-CG2 3.58Å; A105-T302 WeakPolarHBondContact CB-OG1 3.38Å; F300-T302 PolarHBondContact O-N 3.29Å; F300-T302 VanDerWaalsContact O-N 3.14Å; T302-T304 PolarHBondContact O-N 3.29Å
303	D	97.2	Very high	91.9	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.037	29%	0.29	C	S	.	.			trans	-65.6	135.9	177.1	-76.9	-34.9	0	0	0	110.8	V299 F300 Q307 I308 K311 Q386	V299-D303 WeakPolarHBondContact CA-OD2 3.48Å; F300-D303 PolarHBondContact N-OD2 2.87Å; F300-D303 WeakPolarHBondContact O-CB 3.41Å; F300-D303 PolarHBondContact O-N 3.01Å; D303-Q307 HydrophobicContact CB-CB 3.92Å; D303-I308 HydrophobicContact CB-CD1 4.49Å; D303-I308 HydrophobicContact CB-CG1 3.74Å; D303-K311 IonicContact OD1-NZ 3.64Å; D303-K311 PolarHBondContact OD1-NZ 3.33Å; D303-K311 IonicContact OD2-NZ 2.7Å; D303-K311 PolarHBondContact OD2-NZ 3.36Å; D303-Q386 PolarHBondContact O-NE2 3.39Å
304	T	97.9	Very high	92.8	Very high	65 Å²	65	56.7 Å²	56.7	40%	0.399	29%	0.286	S	S	.	.			trans	-69.2	158.9	169.8	60.8	0	0	0	0	111.2	T302 K306 Q307 I308	T302-T304 PolarHBondContact O-N 3.29Å; T304-K306 PolarHBondContact O-N 2.74Å; T304-Q307 WeakPolarHBondContact O-CA 3.39Å; T304-Q307 WeakPolarHBondContact O-CB 3.4Å; T304-Q307 PolarHBondContact O-N 2.99Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.48Å; T304-Q307 PolarHBondContact OG1-N 3.14Å; T304-Q307 PolarHBondContact OG1-OE1 2.82Å; T304-I308 WeakPolarHBondContact O-CG1 3.47Å; T304-I308 PolarHBondContact O-N 3.32Å
305	P	98.3	Very high	93.8	Very high	60 Å²	60	56.6 Å²	56.6	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-50.6	-35.3	173.2	-29.5	35.2	0	0	0	113.8	R309 T379	P305-R309 WeakPolarHBondContact O-CB 3.02Å; P305-R309 PolarHBondContact O-N 3.13Å; P305-R309 VanDerWaalsContact O-N 3.07Å; P305-T379 HydrophobicContact CB-CG2 3.72Å; P305-T379 HydrophobicContact CG-CG2 3.84Å
306	K	98.1	Very high	94.7	Very high	150 Å²	150	53.2 Å²	53.2	65%	0.652	26%	0.26	S	S	*	.	H	α-helix	trans	-68.7	-42.3	176	-174.4	178.5	178.7	-178.7	0	111.9	T304 N310	T304-K306 PolarHBondContact O-N 2.74Å; K306-N310 WeakPolarHBondContact O-CB 3.29Å; K306-N310 PolarHBondContact O-N 3.23Å; K306-N310 PolarHBondContact O-ND2 2.94Å; K306-N310 PolarHBondContact O-OD1 2.96Å
307	Q	97.3	Very high	95.4	Very high	86 Å²	86	54.8 Å²	54.8	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-45.6	176.6	-77.6	162.1	-56.4	0	0	111.6	D303 T304 R309 N310 K311	D303-Q307 HydrophobicContact CB-CB 3.92Å; T304-Q307 WeakPolarHBondContact O-CA 3.39Å; T304-Q307 WeakPolarHBondContact O-CB 3.4Å; T304-Q307 PolarHBondContact O-N 2.99Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.48Å; T304-Q307 PolarHBondContact OG1-N 3.14Å; T304-Q307 PolarHBondContact OG1-OE1 2.82Å; Q307-R309 PolarHBondContact O-N 2.94Å; Q307-N310 PolarHBondContact O-N 3.47Å; Q307-K311 WeakPolarHBondContact O-CB 3.26Å; Q307-K311 WeakPolarHBondContact O-CG 3.42Å; Q307-K311 PolarHBondContact O-N 3.04Å
308	I	97.8	Very high	96.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-53.5	176	-61.8	170.6	0	0	0	109.8	V299 D303 T304 N310 K311 I312 L378 V382	V299-I308 HydrophobicContact CG1-CG1 4.07Å; D303-I308 HydrophobicContact CB-CD1 4.49Å; D303-I308 HydrophobicContact CB-CG1 3.74Å; T304-I308 WeakPolarHBondContact O-CG1 3.47Å; T304-I308 PolarHBondContact O-N 3.32Å; I308-N310 VanDerWaalsContact C-N 3.34Å; I308-N310 PolarHBondContact O-N 2.99Å; I308-K311 PolarHBondContact O-N 3.14Å; I308-I312 HydrophobicContact CG2-CG1 4.4Å; I308-I312 WeakPolarHBondContact O-CG1 3.31Å; I308-I312 PolarHBondContact O-N 2.76Å; I308-L378 HydrophobicContact CG2-CB 4Å; I308-V382 HydrophobicContact CD1-CB 3.78Å; I308-V382 HydrophobicContact CD1-CG1 3.98Å; I308-V382 HydrophobicContact CD1-CG2 3.91Å
309	R	97.9	Very high	96.5	Very high	143 Å²	143	56 Å²	56	54%	0.54	27%	0.271	S	S	.	.	H	α-helix	trans	-53.3	-49.3	176.5	179.2	-176	-62.4	175	1.9	112.2	P305 Q307 N313 I375	P305-R309 WeakPolarHBondContact O-CB 3.02Å; P305-R309 PolarHBondContact O-N 3.13Å; P305-R309 VanDerWaalsContact O-N 3.07Å; Q307-R309 PolarHBondContact O-N 2.94Å; R309-N313 VanDerWaalsContact O-CB 3.31Å; R309-N313 WeakPolarHBondContact O-CB 3.13Å; R309-N313 PolarHBondContact O-N 3.17Å; R309-N313 PolarHBondContact O-ND2 3.33Å; R309-I375 HydrophobicContact CB-CD1 4.43Å; R309-I375 HydrophobicContact CB-CG2 4.07Å; R309-I375 HydrophobicContact CG-CD1 4.13Å; R309-I375 HydrophobicContact CG-CG2 4.46Å
310	N	96.7	Very high	96.6	Very high	84 Å²	84	56.8 Å²	56.8	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-42.4	-177.7	-73.3	-8.8	0	0	0	111.9	K306 Q307 I308 K314	K306-N310 WeakPolarHBondContact O-CB 3.29Å; K306-N310 PolarHBondContact O-N 3.23Å; K306-N310 PolarHBondContact O-ND2 2.94Å; K306-N310 PolarHBondContact O-OD1 2.96Å; Q307-N310 PolarHBondContact O-N 3.47Å; I308-N310 VanDerWaalsContact C-N 3.34Å; I308-N310 PolarHBondContact O-N 2.99Å; N310-K314 WeakPolarHBondContact O-CB 3.46Å; N310-K314 PolarHBondContact O-N 3.2Å
311	K	96.7	Very high	96.4	Very high	20 Å²	20	56.8 Å²	56.8	9%	0.087	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-46.8	179.2	-75	179.1	177.4	-178.4	0	111.8	L283 P295 S298 V299 D303 Q307 I308 Y315 A316	L283-K311 HydrophobicContact CD1-CB 3.92Å; P295-K311 WeakPolarHBondContact O-CE 3.28Å; P295-K311 PolarHBondContact O-NZ 2.69Å; P295-K311 VanDerWaalsContact O-NZ 3.13Å; S298-K311 WeakPolarHBondContact O-CD 3.24Å; S298-K311 WeakPolarHBondContact O-CE 3.46Å; S298-K311 PolarHBondContact O-NZ 3.34Å; V299-K311 HydrophobicContact CG2-CB 4.5Å; V299-K311 HydrophobicContact CG2-CD 4.43Å; D303-K311 IonicContact OD1-NZ 3.64Å; D303-K311 PolarHBondContact OD1-NZ 3.33Å; D303-K311 IonicContact OD2-NZ 2.7Å; D303-K311 PolarHBondContact OD2-NZ 3.36Å; Q307-K311 WeakPolarHBondContact O-CB 3.26Å; Q307-K311 WeakPolarHBondContact O-CG 3.42Å; Q307-K311 PolarHBondContact O-N 3.04Å; I308-K311 PolarHBondContact O-N 3.14Å; K311-Y315 HydrophobicContact CB-CD2 4.34Å; K311-Y315 HydrophobicContact CG-CD2 4.28Å; K311-Y315 WeakPolarHBondContact O-CA 3.41Å; K311-Y315 WeakPolarHBondContact O-CB 3.24Å; K311-Y315 PolarHBondContact O-N 3.26Å; K311-A316 PolarHBondContact O-N 2.7Å
312	I	97.3	Very high	96.2	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-48.1	178	-61.9	-56.8	0	0	0	111.1	L283 V299 I308 K314 A316 Y342 K371 L374 I375 L378	L283-I312 HydrophobicContact CD2-CD1 3.78Å; V299-I312 HydrophobicContact CG2-CD1 4.24Å; I308-I312 HydrophobicContact CG2-CG1 4.4Å; I308-I312 WeakPolarHBondContact O-CG1 3.31Å; I308-I312 PolarHBondContact O-N 2.76Å; I312-K314 PolarHBondContact O-N 2.97Å; I312-A316 HydrophobicContact CG2-CB 4.28Å; I312-A316 WeakPolarHBondContact O-CB 3.22Å; I312-A316 PolarHBondContact O-N 2.98Å; I312-Y342 HydrophobicContact CD1-CD2 4.37Å; I312-Y342 HydrophobicContact CD1-CE2 4.32Å; I312-K371 HydrophobicContact CG2-CB 3.97Å; I312-K371 HydrophobicContact CG2-CD 4.24Å; I312-K371 HydrophobicContact CG2-CG 3.89Å; I312-K371 WeakPolarHBondContact O-CE 3.48Å; I312-K371 PolarHBondContact O-NZ 2.98Å; I312-L374 HydrophobicContact CD1-CD2 3.87Å; I312-L374 HydrophobicContact CG1-CD2 4.43Å; I312-L374 HydrophobicContact CG2-CD2 4.16Å; I312-I375 HydrophobicContact CB-CD1 4.04Å; I312-I375 HydrophobicContact CB-CG1 3.74Å; I312-I375 HydrophobicContact CG1-CG1 4.02Å; I312-I375 HydrophobicContact CG2-CD1 3.99Å; I312-I375 HydrophobicContact CG2-CG1 3.8Å; I312-L378 HydrophobicContact CD1-CD1 4.08Å; I312-L378 HydrophobicContact CG1-CD1 4.42Å
313	N	96.8	Very high	96.1	Very high	80 Å²	80	64.5 Å²	64.5	43%	0.428	33%	0.328	S	S	.	.	H	α-helix	trans	-64.6	-43.8	-178.4	-75.3	-20.3	0	0	0	112.6	R309 K371 I375	R309-N313 VanDerWaalsContact O-CB 3.31Å; R309-N313 WeakPolarHBondContact O-CB 3.13Å; R309-N313 PolarHBondContact O-N 3.17Å; R309-N313 PolarHBondContact O-ND2 3.33Å; N313-K371 PolarHBondContact O-NZ 3.42Å; N313-K371 VanDerWaalsContact O-NZ 3.09Å; N313-I375 WeakPolarHBondContact OD1-CD1 3.49Å
314	K	94.4	Very high	96.1	Very high	154 Å²	154	69.7 Å²	69.7	67%	0.67	35%	0.354	S	S	*	.	H	α-helix	trans	-87.3	-34.3	-172.4	-168.5	175.6	173.7	-168.8	0	114.4	N310 I312	N310-K314 WeakPolarHBondContact O-CB 3.46Å; N310-K314 PolarHBondContact O-N 3.2Å; I312-K314 PolarHBondContact O-N 2.97Å
315	Y	94.7	Very high	95.9	Very high	66 Å²	66	70 Å²	70	26%	0.259	36%	0.364	S	S	.	.	H	α-helix	trans	-118.8	-21.4	-168.2	-52.3	-56.7	0	0	0	114.6	L283 N296 K311 Y317	L283-Y315 CarbonylContact C-O 3.55Å; L283-Y315 VanDerWaalsContact C-O 3.28Å; N296-Y315 HydrophobicContact CB-CD2 4.39Å; N296-Y315 HydrophobicContact CB-CE2 4.07Å; N296-Y315 WeakPolarHBondContact O-CD2 3.37Å; K311-Y315 HydrophobicContact CB-CD2 4.34Å; K311-Y315 HydrophobicContact CG-CD2 4.28Å; K311-Y315 WeakPolarHBondContact O-CA 3.41Å; K311-Y315 WeakPolarHBondContact O-CB 3.24Å; K311-Y315 PolarHBondContact O-N 3.26Å; Y315-Y317 PolarHBondContact O-N 2.95Å; Y315-Y317 VanDerWaalsContact O-N 3.14Å
316	A	95.4	Very high	95.8	Very high	5 Å²	5	69.7 Å²	69.7	4%	0.041	36%	0.357	C	S	.	.	S	Bend	trans	-66.6	114.6	176.1	0	0	0	0	0	109.8	L283 K311 I312 V338 K371	L283-A316 HydrophobicContact CD2-CB 3.99Å; L283-A316 CarbonylContact O-C 3.53Å; L283-A316 VanDerWaalsContact O-CA 3.22Å; L283-A316 WeakPolarHBondContact O-CA 3.44Å; K311-A316 PolarHBondContact O-N 2.7Å; I312-A316 HydrophobicContact CG2-CB 4.28Å; I312-A316 WeakPolarHBondContact O-CB 3.22Å; I312-A316 PolarHBondContact O-N 2.98Å; A316-V338 HydrophobicContact CB-CB 4.49Å; A316-V338 HydrophobicContact CB-CG1 4.4Å; A316-K371 WeakPolarHBondContact O-CE 3.43Å; A316-K371 PolarHBondContact O-NZ 2.94Å
317	Y	94.8	Very high	95.8	Very high	114 Å²	114	62.7 Å²	62.7	45%	0.447	33%	0.326	S	S	.	.			trans	-59.4	135.9	178.3	179.3	-90.7	0	0	0	110.4	L283 Q284 Y315 I336 V338	L283-Y317 PolarHBondContact O-N 3.35Å; Q284-Y317 WeakPolarHBondContact O-CB 3.49Å; Y315-Y317 PolarHBondContact O-N 2.95Å; Y315-Y317 VanDerWaalsContact O-N 3.14Å; Y317-I336 WeakPolarHBondContact CD1-O 3.42Å; Y317-I336 HydrophobicContact CE1-CB 4.21Å; Y317-I336 HydrophobicContact CE1-CD1 4Å; Y317-I336 HydrophobicContact CE1-CG1 4.09Å; Y317-V338 PolarHBondContact O-N 3.22Å; Y317-V338 VanDerWaalsContact O-N 3.12Å
318	S	96.2	Very high	95.8	Very high	34 Å²	34	64.1 Å²	64.1	24%	0.238	33%	0.328	C	S	.	.			trans	-102.2	138.1	-179.4	-174.1	0	0	0	0	111.2	G320 D337 Y360 T367	S318-G320 PolarHBondContact OG-N 3.46Å; S318-D337 WeakPolarHBondContact CA-OD2 3.3Å; S318-D337 PolarHBondContact OG-OD2 2.97Å; S318-Y360 PolarHBondContact OG-OH 3.47Å; S318-T367 WeakPolarHBondContact OG-CG2 3.37Å; S318-T367 PolarHBondContact OG-OG1 2.84Å; S318-T367 VanDerWaalsContact OG-OG1 3.14Å
319	G	95.7	Very high	95.7	Very high	9 Å²	9	71.5 Å²	71.5	9%	0.093	36%	0.363	C	S	.	.			trans	-91.5	9	166.5	0	0	0	0	0	114.1	G332 N333 D337	G319-G332 CarbonylContact O-C 3.53Å; G319-G332 WeakPolarHBondContact O-CA 3.38Å; G319-N333 PolarHBondContact O-N 2.79Å; G319-D337 PolarHBondContact N-OD2 3.45Å
320	G	95.9	Very high	95.6	Very high	17 Å²	17	73 Å²	73	18%	0.175	37%	0.368	C	S	.	.	S	Bend	trans	-86.2	165.6	178.8	0	0	0	0	0	113.2	S318 H327 Y360	S318-G320 PolarHBondContact OG-N 3.46Å; G320-H327 VanDerWaalsContact CA-CE1 3.44Å; G320-H327 WeakPolarHBondContact CA-CE1 3.28Å; G320-H327 VanDerWaalsContact CA-ND1 3.27Å; G320-H327 WeakPolarHBondContact CA-ND1 3.22Å; G320-Y360 PolarHBondContact N-OH 2.89Å; G320-Y360 VanDerWaalsContact N-OH 3.14Å
321	G	92.8	Very high	95.6	Very high	24 Å²	24	69.5 Å²	69.5	25%	0.247	35%	0.352	C	S	.	.			trans	-62	153.7	172.6	0	0	0	0	0	114	T323 H327	G321-T323 PolarHBondContact O-N 3.05Å; G321-H327 PolarHBondContact N-ND1 3.34Å; G321-H327 VanDerWaalsContact N-ND1 3.2Å
322	D	92.3	Very high	95.6	Very high	158 Å²	158	68.9 Å²	68.9	85%	0.845	35%	0.351	S	S	*	.	S	Bend	trans	-67.9	-24.9	-175.8	-73.2	-30.8	0	0	0	112.3	E326	D322-E326 PolarHBondContact N-OE2 2.78Å; D322-E326 VanDerWaalsContact N-OE2 3.11Å
323	T	95	Very high	95.6	Very high	79 Å²	79	72.1 Å²	72.1	49%	0.485	37%	0.368	S	S	.	.	S	Bend	trans	-123.2	155.6	175.6	70.2	0	0	0	0	111	G321 A325 E326 H327	G321-T323 PolarHBondContact O-N 3.05Å; T323-A325 PolarHBondContact O-N 2.66Å; T323-E326 PolarHBondContact O-N 3.01Å; T323-E326 WeakPolarHBondContact OG1-CB 3.32Å; T323-E326 PolarHBondContact OG1-N 3.5Å; T323-E326 VanDerWaalsContact OG1-N 3.12Å; T323-H327 WeakPolarHBondContact O-CB 3.43Å; T323-H327 PolarHBondContact O-N 3.38Å
324	I	95.3	Very high	95.5	Very high	116 Å²	116	68.6 Å²	68.6	60%	0.595	35%	0.35	S	S	*	.	H	α-helix	trans	-58.5	-39.2	175	-64.1	174	0	0	0	110.7	H327 R328 L366	I324-H327 PolarHBondContact O-N 3.44Å; I324-R328 HydrophobicContact CG2-CG 4.06Å; I324-R328 WeakPolarHBondContact O-CB 3.35Å; I324-R328 WeakPolarHBondContact O-CG 3.41Å; I324-R328 PolarHBondContact O-N 2.97Å; I324-L366 HydrophobicContact CG2-CD1 4.47Å; I324-L366 HydrophobicContact CG2-CD2 4.23Å
325	A	95.4	Very high	95.4	Very high	72 Å²	72	66.4 Å²	66.4	60%	0.595	35%	0.345	S	S	*	.	H	α-helix	trans	-61.8	-50	178.9	0	0	0	0	0	111.2	T323 H327 R328 E329	T323-A325 PolarHBondContact O-N 2.66Å; A325-H327 VanDerWaalsContact C-N 3.34Å; A325-H327 PolarHBondContact O-N 3.07Å; A325-R328 PolarHBondContact O-N 2.91Å; A325-E329 WeakPolarHBondContact O-CB 3.31Å; A325-E329 PolarHBondContact O-N 2.97Å
326	E	95.6	Very high	95.3	Very high	52 Å²	52	64.8 Å²	64.8	24%	0.243	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-43.1	176.1	-177.8	-179.8	-162.4	0	0	111.8	D322 T323 R328 E329 R330	D322-E326 PolarHBondContact N-OE2 2.78Å; D322-E326 VanDerWaalsContact N-OE2 3.11Å; T323-E326 PolarHBondContact O-N 3.01Å; T323-E326 WeakPolarHBondContact OG1-CB 3.32Å; T323-E326 PolarHBondContact OG1-N 3.5Å; T323-E326 VanDerWaalsContact OG1-N 3.12Å; E326-R328 VanDerWaalsContact C-N 3.34Å; E326-R328 PolarHBondContact O-N 3.42Å; E326-E329 PolarHBondContact O-N 2.7Å; E326-R330 HydrophobicContact CG-CG 4.39Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 PolarHBondContact O-N 2.89Å; E326-R330 IonicContact OE1-CZ 3.7Å; E326-R330 IonicContact OE1-NH1 3.73Å; E326-R330 PolarHBondContact OE1-NH1 3.46Å
327	H	97.5	Very high	95.4	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.019	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-42	178.9	-165.5	96.2	0	0	0	112.3	G320 G321 T323 I324 A325 E329 G331 Y360 G363 L365	G320-H327 VanDerWaalsContact CA-CE1 3.44Å; G320-H327 WeakPolarHBondContact CA-CE1 3.28Å; G320-H327 VanDerWaalsContact CA-ND1 3.27Å; G320-H327 WeakPolarHBondContact CA-ND1 3.22Å; G321-H327 PolarHBondContact N-ND1 3.34Å; G321-H327 VanDerWaalsContact N-ND1 3.2Å; T323-H327 WeakPolarHBondContact O-CB 3.43Å; T323-H327 PolarHBondContact O-N 3.38Å; I324-H327 PolarHBondContact O-N 3.44Å; A325-H327 VanDerWaalsContact C-N 3.34Å; A325-H327 PolarHBondContact O-N 3.07Å; H327-E329 VanDerWaalsContact C-N 3.28Å; H327-E329 PolarHBondContact O-N 2.95Å; H327-G331 WeakPolarHBondContact O-CA 3.18Å; H327-G331 PolarHBondContact O-N 2.9Å; H327-Y360 AromaticContact CE1-CD2 3.79Å; H327-Y360 AromaticContact CE1-CE2 3.21Å; H327-Y360 WeakPolarHBondContact CE1-CE2 3.49Å; H327-Y360 AromaticContact CE1-CZ 3.81Å; H327-Y360 AromaticContact NE2-CD2 3.65Å; H327-Y360 AromaticContact NE2-CE2 3.51Å; H327-G363 VanDerWaalsContact O-CA 3.3Å; H327-G363 WeakPolarHBondContact O-CA 3.3Å; H327-L365 PolarHBondContact NE2-O 3.37Å
328	R	96.8	Very high	95.4	Very high	116 Å²	116	59.1 Å²	59.1	44%	0.438	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-31.1	177.7	-69.3	-78.8	178.9	-155.9	4.4	112	I324 A325 E326 G363 K364 L366	I324-R328 HydrophobicContact CG2-CG 4.06Å; I324-R328 WeakPolarHBondContact O-CB 3.35Å; I324-R328 WeakPolarHBondContact O-CG 3.41Å; I324-R328 PolarHBondContact O-N 2.97Å; A325-R328 PolarHBondContact O-N 2.91Å; E326-R328 VanDerWaalsContact C-N 3.34Å; E326-R328 PolarHBondContact O-N 3.42Å; R328-G363 WeakPolarHBondContact CD-O 3.36Å; R328-G363 PolarHBondContact NH1-O 3Å; R328-K364 VanDerWaalsContact NH1-CA 3.34Å; R328-K364 PolarHBondContact NH1-O 3.41Å; R328-L366 HydrophobicContact CG-CD2 4.5Å
329	E	96.3	Very high	95.5	Very high	155 Å²	155	57.5 Å²	57.5	72%	0.724	31%	0.306	S	S	*	.	H	α-helix	trans	-81.1	-44.3	179.4	-174.9	-176.6	179.1	0	0	112.7	A325 E326 H327	A325-E329 WeakPolarHBondContact O-CB 3.31Å; A325-E329 PolarHBondContact O-N 2.97Å; E326-E329 PolarHBondContact O-N 2.7Å; H327-E329 VanDerWaalsContact C-N 3.28Å; H327-E329 PolarHBondContact O-N 2.95Å
330	R	96.2	Very high	95.6	Very high	175 Å²	175	57.8 Å²	57.8	66%	0.66	31%	0.305	S	S	*	.	H	α-helix	trans	-106.8	-14.8	-169.4	-60.6	-176.9	178.6	171.7	-7	114.5	E326	E326-R330 HydrophobicContact CG-CG 4.39Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 PolarHBondContact O-N 2.89Å; E326-R330 IonicContact OE1-CZ 3.7Å; E326-R330 IonicContact OE1-NH1 3.73Å; E326-R330 PolarHBondContact OE1-NH1 3.46Å
331	G	97	Very high	95.6	Very high	10 Å²	10	58 Å²	58	10%	0.103	30%	0.301	C	S	.	.			trans	72	-177.8	-173.1	0	0	0	0	0	114.2	H327	H327-G331 WeakPolarHBondContact O-CA 3.18Å; H327-G331 PolarHBondContact O-N 2.9Å
332	G	97.3	Very high	95.8	Very high	6 Å²	6	56.8 Å²	56.8	6%	0.062	29%	0.289	C	S	.	.			trans	-104.1	145.1	174.7	0	0	0	0	0	113.4	G319 C334 Y360 S361	G319-G332 CarbonylContact O-C 3.53Å; G319-G332 WeakPolarHBondContact O-CA 3.38Å; G332-C334 PolarHBondContact O-N 3.2Å; G332-Y360 PolarHBondContact N-O 3.32Å; G332-S361 WeakPolarHBondContact O-CA 3.26Å; G332-S361 PolarHBondContact O-OG 3.49Å
333	N	96.2	Very high	96.1	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	25%	0.25	S	C	.	.			trans	-89.4	102.7	174.2	-175	-9.5	0	0	0	111	G319 D335 I336 D337	G319-N333 PolarHBondContact O-N 2.79Å; N333-D335 PolarHBondContact O-N 3.48Å; N333-D335 WeakPolarHBondContact OD1-CB 3.4Å; N333-D335 PolarHBondContact OD1-N 2.98Å; N333-I336 HydrophobicContact CB-CD1 4.11Å; N333-I336 HydrophobicContact CB-CG1 3.92Å; N333-I336 PolarHBondContact O-N 3.01Å; N333-D337 WeakPolarHBondContact O-CB 3.14Å; N333-D337 PolarHBondContact O-N 3.34Å; N333-D337 VanDerWaalsContact O-N 3.14Å
334	C	95.6	Very high	96.2	Very high	5 Å²	5	48 Å²	48	3%	0.034	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.1	177.7	-72.2	0	0	0	0	113.9	G332 I336 Y340 Q341 R357	G332-C334 PolarHBondContact O-N 3.2Å; C334-I336 VanDerWaalsContact C-N 3.29Å; C334-I336 PolarHBondContact O-N 2.91Å; C334-Y340 HydrophobicContact CB-CD1 3.5Å; C334-Y340 HydrophobicContact CB-CD2 4.44Å; C334-Y340 HydrophobicContact CB-CE1 3.63Å; C334-Y340 HydrophobicContact CB-CG 3.93Å; C334-Y340 WeakPolarHBondContact O-CD1 3.5Å; C334-Q341 PolarHBondContact O-NE2 2.94Å; C334-R357 HydrophobicContact CB-CG 4.34Å
335	D	92.1	Very high	96.3	Very high	108 Å²	108	42.7 Å²	42.7	58%	0.578	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.4	-175.5	-64.2	-31.3	0	0	0	112.1	N286 N333 Q341	N286-D335 PolarHBondContact ND2-O 3.35Å; N333-D335 PolarHBondContact O-N 3.48Å; N333-D335 WeakPolarHBondContact OD1-CB 3.4Å; N333-D335 PolarHBondContact OD1-N 2.98Å; D335-Q341 PolarHBondContact O-NE2 3.23Å; D335-Q341 VanDerWaalsContact O-NE2 3.12Å
336	I	93	Very high	96.4	Very high	33 Å²	33	40 Å²	40	17%	0.169	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-14.6	179.8	68.1	177.7	0	0	0	113.3	Y317 N333 C334 V338	Y317-I336 WeakPolarHBondContact CD1-O 3.42Å; Y317-I336 HydrophobicContact CE1-CB 4.21Å; Y317-I336 HydrophobicContact CE1-CD1 4Å; Y317-I336 HydrophobicContact CE1-CG1 4.09Å; N333-I336 HydrophobicContact CB-CD1 4.11Å; N333-I336 HydrophobicContact CB-CG1 3.92Å; N333-I336 PolarHBondContact O-N 3.01Å; C334-I336 VanDerWaalsContact C-N 3.29Å; C334-I336 PolarHBondContact O-N 2.91Å; I336-V338 PolarHBondContact O-N 3.09Å
337	D	96	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.			trans	-74.2	109	-179.5	-168.8	-76.6	0	0	0	111.8	S318 G319 N333 S339 Y340 Q341 Y360	S318-D337 WeakPolarHBondContact CA-OD2 3.3Å; S318-D337 PolarHBondContact OG-OD2 2.97Å; G319-D337 PolarHBondContact N-OD2 3.45Å; N333-D337 WeakPolarHBondContact O-CB 3.14Å; N333-D337 PolarHBondContact O-N 3.34Å; N333-D337 VanDerWaalsContact O-N 3.14Å; D337-S339 PolarHBondContact O-N 2.98Å; D337-S339 VanDerWaalsContact O-N 3.16Å; D337-S339 WeakPolarHBondContact OD1-CA 3.44Å; D337-S339 VanDerWaalsContact OD1-CB 3.22Å; D337-S339 WeakPolarHBondContact OD1-CB 3.18Å; D337-S339 PolarHBondContact OD1-N 3.47Å; D337-Y340 PolarHBondContact O-N 3.17Å; D337-Y340 VanDerWaalsContact O-N 3.17Å; D337-Y340 PolarHBondContact OD1-N 3.32Å; D337-Q341 VanDerWaalsContact O-CG 3.3Å; D337-Q341 WeakPolarHBondContact O-CG 3.49Å; D337-Q341 PolarHBondContact O-N 3.28Å; D337-Y360 HydrophobicContact CB-CE1 3.79Å; D337-Y360 PolarHBondContact OD2-OH 2.88Å
338	V	95.8	Very high	96.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-30.5	-176.2	173.6	0	0	0	0	111.9	A316 Y317 I336 Q341 Y342	A316-V338 HydrophobicContact CB-CB 4.49Å; A316-V338 HydrophobicContact CB-CG1 4.4Å; Y317-V338 PolarHBondContact O-N 3.22Å; Y317-V338 VanDerWaalsContact O-N 3.12Å; I336-V338 PolarHBondContact O-N 3.09Å; V338-Q341 PolarHBondContact O-N 3.06Å; V338-Y342 HydrophobicContact CG1-CD1 3.98Å; V338-Y342 HydrophobicContact CG1-CE1 3.52Å; V338-Y342 HydrophobicContact CG1-CE2 4.31Å; V338-Y342 VanDerWaalsContact O-CD1 3.32Å; V338-Y342 WeakPolarHBondContact O-CD1 3.31Å; V338-Y342 PolarHBondContact O-N 2.82Å
339	S	97.5	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.4	-44.4	-179.4	-48.6	0	0	0	0	110.8	D337 Y342 L343 K371	D337-S339 PolarHBondContact O-N 2.98Å; D337-S339 VanDerWaalsContact O-N 3.16Å; D337-S339 WeakPolarHBondContact OD1-CA 3.44Å; D337-S339 VanDerWaalsContact OD1-CB 3.22Å; D337-S339 WeakPolarHBondContact OD1-CB 3.18Å; D337-S339 PolarHBondContact OD1-N 3.47Å; S339-Y342 PolarHBondContact O-N 3.33Å; S339-L343 WeakPolarHBondContact O-CG 3.37Å; S339-L343 PolarHBondContact O-N 3.04Å; S339-L343 VanDerWaalsContact O-N 3.12Å; S339-K371 WeakPolarHBondContact OG-CG 3.32Å
340	Y	97.7	Very high	96.4	Very high	15 Å²	15	38.3 Å²	38.3	6%	0.059	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-42	171.1	-178.9	-94.9	0	0	0	111.8	C334 D337 Y342 L343 K344 L353 I356 R357	C334-Y340 HydrophobicContact CB-CD1 3.5Å; C334-Y340 HydrophobicContact CB-CD2 4.44Å; C334-Y340 HydrophobicContact CB-CE1 3.63Å; C334-Y340 HydrophobicContact CB-CG 3.93Å; C334-Y340 WeakPolarHBondContact O-CD1 3.5Å; D337-Y340 PolarHBondContact O-N 3.17Å; D337-Y340 VanDerWaalsContact O-N 3.17Å; D337-Y340 PolarHBondContact OD1-N 3.32Å; Y340-Y342 VanDerWaalsContact C-N 3.32Å; Y340-Y342 PolarHBondContact O-N 3.12Å; Y340-L343 WeakPolarHBondContact O-CB 3.4Å; Y340-L343 PolarHBondContact O-N 3.12Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; Y340-K344 HydrophobicContact CD1-CD 4.38Å; Y340-K344 HydrophobicContact CD1-CG 4.35Å; Y340-K344 HydrophobicContact CE1-CD 3.77Å; Y340-K344 HydrophobicContact CE1-CG 3.9Å; Y340-K344 PolarHBondContact O-N 2.92Å; Y340-K344 VanDerWaalsContact O-N 3.15Å; Y340-L353 HydrophobicContact CE2-CD1 3.93Å; Y340-I356 HydrophobicContact CD2-CG2 4.06Å; Y340-I356 HydrophobicContact CE2-CG2 4.35Å; Y340-R357 HydrophobicContact CE2-CB 3.69Å; Y340-R357 HydrophobicContact CE2-CG 4.06Å; Y340-R357 WeakPolarHBondContact OH-CB 3.1Å; Y340-R357 WeakPolarHBondContact OH-CD 3.34Å; Y340-R357 VanDerWaalsContact OH-CG 3.3Å; Y340-R357 WeakPolarHBondContact OH-CG 3.33Å
341	Q	96.3	Very high	96.5	Very high	20 Å²	20	37.7 Å²	37.7	9%	0.093	19%	0.191	C	C	.	.	H	α-helix	trans	-56.2	-46.6	176	-65.2	-64.9	-42.9	0	0	111	P281 C334 D335 D337 V338 L343 K344 F345	P281-Q341 HydrophobicContact CG-CB 3.92Å; P281-Q341 HydrophobicContact CG-CG 4.5Å; C334-Q341 PolarHBondContact O-NE2 2.94Å; D335-Q341 PolarHBondContact O-NE2 3.23Å; D335-Q341 VanDerWaalsContact O-NE2 3.12Å; D337-Q341 VanDerWaalsContact O-CG 3.3Å; D337-Q341 WeakPolarHBondContact O-CG 3.49Å; D337-Q341 PolarHBondContact O-N 3.28Å; V338-Q341 PolarHBondContact O-N 3.06Å; Q341-L343 VanDerWaalsContact C-N 3.35Å; Q341-L343 PolarHBondContact O-N 3.37Å; Q341-K344 VanDerWaalsContact CD-CE 3.43Å; Q341-K344 VanDerWaalsContact CD-NZ 3.29Å; Q341-K344 VanDerWaalsContact NE2-NZ 3.18Å; Q341-K344 WeakPolarHBondContact O-CB 3.37Å; Q341-K344 PolarHBondContact O-N 3.16Å; Q341-K344 VanDerWaalsContact O-N 3.11Å; Q341-F345 WeakPolarHBondContact O-CD2 3.42Å
342	Y	97.7	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-36.6	178.6	-73.4	13.6	0	0	0	112.6	F280 P281 L283 M290 I312 V338 S339 Y340 K344 F345 F346 L374 L378	F280-Y342 AromaticContact CD1-CE1 3.9Å; F280-Y342 HydrophobicContact CD1-CE1 3.9Å; F280-Y342 AromaticContact CE1-CD1 3.66Å; F280-Y342 HydrophobicContact CE1-CD1 3.66Å; F280-Y342 HydrophobicContact CE1-CD2 4.13Å; F280-Y342 AromaticContact CE1-CE1 3.18Å; F280-Y342 HydrophobicContact CE1-CE1 3.18Å; F280-Y342 AromaticContact CE1-CE2 3.72Å; F280-Y342 HydrophobicContact CE1-CE2 3.72Å; F280-Y342 HydrophobicContact CE1-CG 4.13Å; F280-Y342 AromaticContact CE1-CZ 3.24Å; F280-Y342 AromaticContact CE2-CD1 3.91Å; F280-Y342 HydrophobicContact CE2-CD1 3.91Å; F280-Y342 HydrophobicContact CE2-CE1 4.23Å; F280-Y342 HydrophobicContact CE2-CG 4.27Å; F280-Y342 AromaticContact CZ-CD1 3.28Å; F280-Y342 HydrophobicContact CZ-CD1 3.28Å; F280-Y342 AromaticContact CZ-CD2 3.75Å; F280-Y342 HydrophobicContact CZ-CD2 3.75Å; F280-Y342 AromaticContact CZ-CE1 3.37Å; F280-Y342 HydrophobicContact CZ-CE1 3.37Å; F280-Y342 AromaticContact CZ-CE2 3.84Å; F280-Y342 HydrophobicContact CZ-CE2 3.84Å; F280-Y342 AromaticContact CZ-CG 3.5Å; F280-Y342 HydrophobicContact CZ-CG 3.5Å; F280-Y342 VanDerWaalsContact CZ-CG 3.5Å; F280-Y342 AromaticContact CZ-CZ 3.68Å; P281-Y342 HydrophobicContact CB-CE1 4.5Å; P281-Y342 HydrophobicContact CG-CD1 4.19Å; P281-Y342 HydrophobicContact CG-CE1 3.84Å; P281-Y342 VanDerWaalsContact O-CE1 3.23Å; P281-Y342 WeakPolarHBondContact O-CE1 3.27Å; P281-Y342 PolarHBondContact O-OH 3.17Å; L283-Y342 HydrophobicContact CD2-CE2 3.82Å; L283-Y342 PolarHBondContact N-OH 2.93Å; M290-Y342 HydrophobicContact CE-CE2 4.26Å; M290-Y342 WeakPolarHBondContact CE-OH 3.31Å; I312-Y342 HydrophobicContact CD1-CD2 4.37Å; I312-Y342 HydrophobicContact CD1-CE2 4.32Å; V338-Y342 HydrophobicContact CG1-CD1 3.98Å; V338-Y342 HydrophobicContact CG1-CE1 3.52Å; V338-Y342 HydrophobicContact CG1-CE2 4.31Å; V338-Y342 VanDerWaalsContact O-CD1 3.32Å; V338-Y342 WeakPolarHBondContact O-CD1 3.31Å; V338-Y342 PolarHBondContact O-N 2.82Å; S339-Y342 PolarHBondContact O-N 3.33Å; Y340-Y342 VanDerWaalsContact C-N 3.32Å; Y340-Y342 PolarHBondContact O-N 3.12Å; Y342-K344 PolarHBondContact O-N 3.36Å; Y342-F345 PolarHBondContact O-N 2.9Å; Y342-F346 WeakPolarHBondContact O-CD2 3.41Å; Y342-F346 PolarHBondContact O-N 2.97Å; Y342-F346 VanDerWaalsContact O-N 3.17Å; Y342-L374 HydrophobicContact CD2-CD2 4.02Å; Y342-L374 HydrophobicContact CG-CD2 4.32Å; Y342-L378 HydrophobicContact CD2-CD1 4.24Å
343	L	98.1	Very high	96.5	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-37.4	173.2	-70.1	171.7	0	0	0	111.5	S339 Y340 Q341 F345 F346 L347 L353 I356 I370 L374 L377	S339-L343 WeakPolarHBondContact O-CG 3.37Å; S339-L343 PolarHBondContact O-N 3.04Å; S339-L343 VanDerWaalsContact O-N 3.12Å; Y340-L343 WeakPolarHBondContact O-CB 3.4Å; Y340-L343 PolarHBondContact O-N 3.12Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; Q341-L343 VanDerWaalsContact C-N 3.35Å; Q341-L343 PolarHBondContact O-N 3.37Å; L343-F345 PolarHBondContact O-N 3.21Å; L343-F346 PolarHBondContact O-N 3.15Å; L343-L347 HydrophobicContact CB-CB 4.42Å; L343-L347 HydrophobicContact CD2-CB 4.3Å; L343-L347 VanDerWaalsContact O-CB 3.23Å; L343-L347 WeakPolarHBondContact O-CB 3.47Å; L343-L347 PolarHBondContact O-N 3.16Å; L343-L353 HydrophobicContact CB-CD1 3.9Å; L343-I356 HydrophobicContact CD1-CD1 4.1Å; L343-I356 HydrophobicContact CD1-CG2 4.14Å; L343-I370 HydrophobicContact CD1-CG2 3.87Å; L343-L374 HydrophobicContact CD2-CB 4.14Å; L343-L374 HydrophobicContact CD2-CD1 4.02Å; L343-L374 HydrophobicContact CG-CB 4.32Å; L343-L374 HydrophobicContact CG-CD1 4.2Å; L343-L377 HydrophobicContact CD2-CD2 3.83Å
344	K	97.2	Very high	96.6	Very high	48 Å²	48	41.5 Å²	41.5	21%	0.209	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-29	175.3	-63.4	-169.8	-71.8	178	0	113.6	R71 Y340 Q341 Y342 L353	R71-K344 WeakPolarHBondContact CD-O 3.34Å; R71-K344 PolarHBondContact NH1-O 2.94Å; Y340-K344 HydrophobicContact CD1-CD 4.38Å; Y340-K344 HydrophobicContact CD1-CG 4.35Å; Y340-K344 HydrophobicContact CE1-CD 3.77Å; Y340-K344 HydrophobicContact CE1-CG 3.9Å; Y340-K344 PolarHBondContact O-N 2.92Å; Y340-K344 VanDerWaalsContact O-N 3.15Å; Q341-K344 VanDerWaalsContact CD-CE 3.43Å; Q341-K344 VanDerWaalsContact CD-NZ 3.29Å; Q341-K344 VanDerWaalsContact NE2-NZ 3.18Å; Q341-K344 WeakPolarHBondContact O-CB 3.37Å; Q341-K344 PolarHBondContact O-N 3.16Å; Q341-K344 VanDerWaalsContact O-N 3.11Å; Y342-K344 PolarHBondContact O-N 3.36Å; K344-L353 HydrophobicContact CB-CD2 4.49Å; K344-L353 HydrophobicContact CG-CD1 4.26Å; K344-L353 HydrophobicContact CG-CD2 4.11Å
345	F	97.6	Very high	96.8	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.022	22%	0.219	C	C	.	.	H	α-helix	trans	-85.9	-30.4	178.9	-71.5	-94.5	0	0	0	113.8	H67 L68 I73 V112 V278 F280 Q341 Y342 L343	H67-F345 PolarHBondContact NE2-O 3.11Å; L68-F345 HydrophobicContact CD2-CD1 4.19Å; I73-F345 HydrophobicContact CB-CE1 4.47Å; I73-F345 HydrophobicContact CD1-CD1 4.25Å; I73-F345 HydrophobicContact CD1-CD2 4.45Å; I73-F345 HydrophobicContact CD1-CE1 3.95Å; I73-F345 HydrophobicContact CD1-CE2 4.12Å; I73-F345 HydrophobicContact CD1-CZ 3.87Å; I73-F345 HydrophobicContact CG1-CD1 4.36Å; I73-F345 HydrophobicContact CG1-CE1 4.34Å; I73-F345 HydrophobicContact CG2-CD1 3.76Å; I73-F345 HydrophobicContact CG2-CE1 3.37Å; I73-F345 HydrophobicContact CG2-CZ 4.21Å; V112-F345 HydrophobicContact CG1-CD1 4.17Å; V112-F345 HydrophobicContact CG1-CE1 4.27Å; V112-F345 HydrophobicContact CG2-CD1 3.67Å; V112-F345 HydrophobicContact CG2-CE1 4.09Å; V278-F345 HydrophobicContact CG2-CE1 4.2Å; V278-F345 HydrophobicContact CG2-CZ 3.83Å; F280-F345 HydrophobicContact CD2-CB 4.33Å; F280-F345 AromaticContact CD2-CD1 3.76Å; F280-F345 HydrophobicContact CD2-CD1 3.76Å; F280-F345 AromaticContact CD2-CD2 3.75Å; F280-F345 HydrophobicContact CD2-CD2 3.75Å; F280-F345 AromaticContact CD2-CE1 3.86Å; F280-F345 HydrophobicContact CD2-CE1 3.86Å; F280-F345 AromaticContact CD2-CE2 3.9Å; F280-F345 HydrophobicContact CD2-CE2 3.9Å; F280-F345 AromaticContact CD2-CG 3.7Å; F280-F345 HydrophobicContact CD2-CG 3.7Å; F280-F345 AromaticContact CD2-CZ 3.95Å; F280-F345 HydrophobicContact CD2-CZ 3.95Å; F280-F345 HydrophobicContact CE2-CB 3.88Å; F280-F345 HydrophobicContact CE2-CD1 4.19Å; F280-F345 AromaticContact CE2-CD2 3.69Å; F280-F345 HydrophobicContact CE2-CD2 3.69Å; F280-F345 HydrophobicContact CE2-CE2 4.25Å; F280-F345 AromaticContact CE2-CG 3.68Å; F280-F345 HydrophobicContact CE2-CG 3.68Å; Q341-F345 WeakPolarHBondContact O-CD2 3.42Å; Y342-F345 PolarHBondContact O-N 2.9Å; L343-F345 PolarHBondContact O-N 3.21Å
346	F	97.9	Very high	97	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-117.5	-26.9	-168.6	-69.9	-74	0	0	0	114.8	L108 I115 F280 Y342 L343 E348 L377 L378 F381	L108-F346 HydrophobicContact CB-CE2 4.09Å; L108-F346 HydrophobicContact CB-CZ 3.87Å; L108-F346 HydrophobicContact CD1-CE2 4.05Å; L108-F346 HydrophobicContact CD1-CZ 4.33Å; L108-F346 HydrophobicContact CD2-CE1 4.33Å; L108-F346 HydrophobicContact CD2-CE2 4.32Å; L108-F346 HydrophobicContact CD2-CZ 3.78Å; L108-F346 HydrophobicContact CG-CE2 4.38Å; L108-F346 HydrophobicContact CG-CZ 4.19Å; I115-F346 HydrophobicContact CD1-CE1 4.13Å; F280-F346 HydrophobicContact CE2-CD2 4.29Å; F280-F346 AromaticContact CE2-CE2 3.51Å; F280-F346 HydrophobicContact CE2-CE2 3.51Å; F280-F346 HydrophobicContact CE2-CZ 4.29Å; F280-F346 HydrophobicContact CZ-CD2 4.49Å; F280-F346 AromaticContact CZ-CE2 3.64Å; F280-F346 HydrophobicContact CZ-CE2 3.64Å; F280-F346 HydrophobicContact CZ-CZ 4.5Å; Y342-F346 WeakPolarHBondContact O-CD2 3.41Å; Y342-F346 PolarHBondContact O-N 2.97Å; Y342-F346 VanDerWaalsContact O-N 3.17Å; L343-F346 PolarHBondContact O-N 3.15Å; F346-E348 PolarHBondContact O-N 3.43Å; F346-L377 HydrophobicContact CB-CD2 3.63Å; F346-L377 HydrophobicContact CB-CG 4.25Å; F346-L378 HydrophobicContact CD2-CD2 3.73Å; F346-L378 HydrophobicContact CE2-CD2 4.04Å; F346-L378 HydrophobicContact CG-CD2 4.05Å; F346-F381 HydrophobicContact CD1-CD2 4.43Å; F346-F381 HydrophobicContact CD1-CE2 4.48Å; F346-F381 HydrophobicContact CE1-CD1 4.33Å; F346-F381 HydrophobicContact CE1-CE1 4.07Å; F346-F381 HydrophobicContact CE1-CE2 4.39Å; F346-F381 HydrophobicContact CE1-CZ 4.11Å
347	L	97.6	Very high	97.3	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.084	20%	0.202	C	C	.	.			trans	-81.8	107.8	-178.8	178.5	63.3	0	0	0	108.8	R71 L343 D349 K352 L353 I356 L377	R71-L347 PolarHBondContact NH1-O 3.37Å; R71-L347 PolarHBondContact NH2-O 3.2Å; L343-L347 HydrophobicContact CB-CB 4.42Å; L343-L347 HydrophobicContact CD2-CB 4.3Å; L343-L347 VanDerWaalsContact O-CB 3.23Å; L343-L347 WeakPolarHBondContact O-CB 3.47Å; L343-L347 PolarHBondContact O-N 3.16Å; L347-D349 VanDerWaalsContact C-N 3.33Å; L347-D349 PolarHBondContact O-N 2.79Å; L347-K352 HydrophobicContact CD1-CD 4.25Å; L347-K352 HydrophobicContact CD2-CB 4.31Å; L347-K352 HydrophobicContact CD2-CD 4.32Å; L347-K352 HydrophobicContact CD2-CG 4.1Å; L347-L353 HydrophobicContact CD2-CB 4.08Å; L347-L353 HydrophobicContact CD2-CD1 4.33Å; L347-I356 HydrophobicContact CD2-CD1 3.97Å; L347-L377 HydrophobicContact CB-CD2 3.92Å
348	E	95.9	Very high	97.4	Very high	138 Å²	138	48 Å²	48	65%	0.645	22%	0.223	S	C	*	.			trans	-71.1	-26.3	-173.6	-55.4	-165.4	165.1	0	0	114.4	R71 F346 D350	R71-E348 PolarHBondContact NH2-O 3.26Å; F346-E348 PolarHBondContact O-N 3.43Å; E348-D350 PolarHBondContact O-N 3.29Å
349	D	96.9	Very high	97.5	Very high	77 Å²	77	49.2 Å²	49.2	41%	0.412	23%	0.23	S	C	.	.			trans	-76.2	108.4	-177.3	-175.3	-20.2	0	0	0	111.6	L347 Q351 K352 L353	L347-D349 VanDerWaalsContact C-N 3.33Å; L347-D349 PolarHBondContact O-N 2.79Å; D349-Q351 WeakPolarHBondContact OD1-CA 3.45Å; D349-Q351 WeakPolarHBondContact OD1-CB 3.47Å; D349-Q351 PolarHBondContact OD1-N 3.16Å; D349-K352 HydrophobicContact CB-CB 3.91Å; D349-K352 PolarHBondContact OD1-N 3.15Å; D349-L353 WeakPolarHBondContact O-CB 3.34Å; D349-L353 PolarHBondContact O-N 3.27Å
350	D	96.1	Very high	97.5	Very high	59 Å²	59	49.2 Å²	49.2	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-34.2	178.8	-69.9	-26	0	0	0	112.9	K70 R71 E348 E354	K70-D350 VanDerWaalsContact CE-OD2 3.3Å; K70-D350 WeakPolarHBondContact CE-OD2 3.16Å; K70-D350 IonicContact NZ-OD2 2.75Å; K70-D350 PolarHBondContact NZ-OD2 2.96Å; R71-D350 IonicContact CZ-OD1 2.94Å; R71-D350 IonicContact NE-OD1 3.08Å; R71-D350 PolarHBondContact NE-OD1 3.49Å; R71-D350 IonicContact NH2-OD1 3.48Å; R71-D350 PolarHBondContact NH2-OD1 2.72Å; E348-D350 PolarHBondContact O-N 3.29Å; D350-E354 WeakPolarHBondContact O-CB 3.45Å; D350-E354 PolarHBondContact O-N 3.02Å
351	Q	97.1	Very high	97.5	Very high	163 Å²	163	50.9 Å²	50.9	76%	0.762	24%	0.243	S	C	*	.	H	α-helix	trans	-69.9	-44.7	179.4	-66.4	-178	-10.4	0	0	110.1	D349 E354 Q355	D349-Q351 WeakPolarHBondContact OD1-CA 3.45Å; D349-Q351 WeakPolarHBondContact OD1-CB 3.47Å; D349-Q351 PolarHBondContact OD1-N 3.16Å; Q351-E354 PolarHBondContact O-N 2.82Å; Q351-Q355 WeakPolarHBondContact O-CB 3.46Å; Q351-Q355 PolarHBondContact O-N 3.3Å
352	K	97.7	Very high	97.6	Very high	84 Å²	84	53.3 Å²	53.3	37%	0.365	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-41.9	175.3	-174	174.6	174.2	-176.4	0	111.5	L347 D349 Q355 I356 E373	L347-K352 HydrophobicContact CD1-CD 4.25Å; L347-K352 HydrophobicContact CD2-CB 4.31Å; L347-K352 HydrophobicContact CD2-CD 4.32Å; L347-K352 HydrophobicContact CD2-CG 4.1Å; D349-K352 HydrophobicContact CB-CB 3.91Å; D349-K352 PolarHBondContact OD1-N 3.15Å; K352-Q355 PolarHBondContact O-N 2.99Å; K352-I356 HydrophobicContact CG-CD1 4.17Å; K352-I356 WeakPolarHBondContact O-CG1 3.36Å; K352-I356 PolarHBondContact O-N 2.83Å; K352-E373 WeakPolarHBondContact CE-OE2 3.34Å; K352-E373 IonicContact NZ-OE2 2.8Å; K352-E373 PolarHBondContact NZ-OE2 3.14Å
353	L	97.9	Very high	97.6	Very high	11 Å²	11	53.4 Å²	53.4	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-44.6	177.2	-177.8	67.5	0	0	0	111.8	Y340 L343 K344 L347 D349 I356 R357	Y340-L353 HydrophobicContact CE2-CD1 3.93Å; L343-L353 HydrophobicContact CB-CD1 3.9Å; K344-L353 HydrophobicContact CB-CD2 4.49Å; K344-L353 HydrophobicContact CG-CD1 4.26Å; K344-L353 HydrophobicContact CG-CD2 4.11Å; L347-L353 HydrophobicContact CD2-CB 4.08Å; L347-L353 HydrophobicContact CD2-CD1 4.33Å; D349-L353 WeakPolarHBondContact O-CB 3.34Å; D349-L353 PolarHBondContact O-N 3.27Å; L353-I356 PolarHBondContact O-N 3.45Å; L353-R357 PolarHBondContact O-N 3.12Å
354	E	98.1	Very high	97.5	Very high	70 Å²	70	59 Å²	59	33%	0.327	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-39.5	177.4	177.8	55.5	-160.6	0	0	112	D350 Q351 I356 R357 Q358	D350-E354 WeakPolarHBondContact O-CB 3.45Å; D350-E354 PolarHBondContact O-N 3.02Å; Q351-E354 PolarHBondContact O-N 2.82Å; E354-I356 PolarHBondContact O-N 3.3Å; E354-R357 WeakPolarHBondContact O-CB 3.22Å; E354-R357 PolarHBondContact O-N 3.39Å; E354-R357 IonicContact OE1-CZ 3.41Å; E354-R357 IonicContact OE1-NE 2.72Å; E354-R357 PolarHBondContact OE1-NE 2.75Å; E354-R357 IonicContact OE1-NH2 2.82Å; E354-R357 PolarHBondContact OE1-NH2 2.81Å; E354-R357 IonicContact OE2-CZ 3.4Å; E354-R357 IonicContact OE2-NE 3.28Å; E354-R357 PolarHBondContact OE2-NE 3.42Å; E354-R357 IonicContact OE2-NH2 2.69Å; E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.22Å; E354-Q358 WeakPolarHBondContact OE1-CG 3.4Å; E354-Q358 PolarHBondContact OE1-NE2 3.14Å
355	Q	98.1	Very high	97.5	Very high	87 Å²	87	58 Å²	58	41%	0.407	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-44.4	173.7	-174.7	61.4	56.3	0	0	111.7	Q351 K352 R357 Q358 D359	Q351-Q355 WeakPolarHBondContact O-CB 3.46Å; Q351-Q355 PolarHBondContact O-N 3.3Å; K352-Q355 PolarHBondContact O-N 2.99Å; Q355-R357 VanDerWaalsContact C-N 3.32Å; Q355-R357 PolarHBondContact O-N 3.07Å; Q355-Q358 PolarHBondContact O-N 3.36Å; Q355-D359 PolarHBondContact NE2-OD1 3.38Å; Q355-D359 PolarHBondContact NE2-OD2 3.48Å; Q355-D359 WeakPolarHBondContact O-CB 3.47Å; Q355-D359 PolarHBondContact O-N 3.22Å
356	I	98.1	Very high	97.5	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-42.9	175.3	-69.9	168.6	0	0	0	110.5	Y340 L343 L347 K352 L353 E354 Y360 L365 I370	Y340-I356 HydrophobicContact CD2-CG2 4.06Å; Y340-I356 HydrophobicContact CE2-CG2 4.35Å; L343-I356 HydrophobicContact CD1-CD1 4.1Å; L343-I356 HydrophobicContact CD1-CG2 4.14Å; L347-I356 HydrophobicContact CD2-CD1 3.97Å; K352-I356 HydrophobicContact CG-CD1 4.17Å; K352-I356 WeakPolarHBondContact O-CG1 3.36Å; K352-I356 PolarHBondContact O-N 2.83Å; L353-I356 PolarHBondContact O-N 3.45Å; E354-I356 PolarHBondContact O-N 3.3Å; I356-Y360 VanDerWaalsContact O-CB 3.3Å; I356-Y360 WeakPolarHBondContact O-CB 3.22Å; I356-Y360 PolarHBondContact O-N 2.94Å; I356-L365 HydrophobicContact CG1-CD2 4.5Å; I356-L365 HydrophobicContact CG2-CD2 4.02Å; I356-I370 HydrophobicContact CG2-CD1 4.12Å; I356-I370 HydrophobicContact CG2-CG1 4.22Å
357	R	98.1	Very high	97.5	Very high	91 Å²	91	60 Å²	60	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-50.7	177.5	-165.8	-165.6	66	72.7	1.5	111.5	C334 Y340 L353 E354 Q355 Y360 S361	C334-R357 HydrophobicContact CB-CG 4.34Å; Y340-R357 HydrophobicContact CE2-CB 3.69Å; Y340-R357 HydrophobicContact CE2-CG 4.06Å; Y340-R357 WeakPolarHBondContact OH-CB 3.1Å; Y340-R357 WeakPolarHBondContact OH-CD 3.34Å; Y340-R357 VanDerWaalsContact OH-CG 3.3Å; Y340-R357 WeakPolarHBondContact OH-CG 3.33Å; L353-R357 PolarHBondContact O-N 3.12Å; E354-R357 WeakPolarHBondContact O-CB 3.22Å; E354-R357 PolarHBondContact O-N 3.39Å; E354-R357 IonicContact OE1-CZ 3.41Å; E354-R357 IonicContact OE1-NE 2.72Å; E354-R357 PolarHBondContact OE1-NE 2.75Å; E354-R357 IonicContact OE1-NH2 2.82Å; E354-R357 PolarHBondContact OE1-NH2 2.81Å; E354-R357 IonicContact OE2-CZ 3.4Å; E354-R357 IonicContact OE2-NE 3.28Å; E354-R357 PolarHBondContact OE2-NE 3.42Å; E354-R357 IonicContact OE2-NH2 2.69Å; Q355-R357 VanDerWaalsContact C-N 3.32Å; Q355-R357 PolarHBondContact O-N 3.07Å; R357-Y360 PolarHBondContact O-N 2.61Å; R357-S361 WeakPolarHBondContact O-CB 3.36Å; R357-S361 PolarHBondContact O-N 3.4Å; R357-S361 PolarHBondContact O-OG 3.3Å
358	Q	98.1	Very high	97.4	Very high	92 Å²	92	61.7 Å²	61.7	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-45.5	-179.5	-69.1	177.7	8.9	0	0	111.9	E354 Q355 S362	E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.22Å; E354-Q358 WeakPolarHBondContact OE1-CG 3.4Å; E354-Q358 PolarHBondContact OE1-NE2 3.14Å; Q355-Q358 PolarHBondContact O-N 3.36Å; Q358-S362 WeakPolarHBondContact O-CB 3.24Å; Q358-S362 PolarHBondContact O-N 3.24Å; Q358-S362 PolarHBondContact O-OG 2.64Å
359	D	98.3	Very high	97.5	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.139	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-34.9	-179.5	-72.7	-23.4	0	0	0	111.9	Q355 S362 G363 K364 L365	Q355-D359 PolarHBondContact NE2-OD1 3.38Å; Q355-D359 PolarHBondContact NE2-OD2 3.48Å; Q355-D359 WeakPolarHBondContact O-CB 3.47Å; Q355-D359 PolarHBondContact O-N 3.22Å; D359-S362 WeakPolarHBondContact CA-OG 3.44Å; D359-S362 PolarHBondContact O-OG 3.23Å; D359-S362 VanDerWaalsContact O-OG 3.11Å; D359-G363 PolarHBondContact O-N 3.39Å; D359-K364 HydrophobicContact CB-CB 4.25Å; D359-K364 HydrophobicContact CB-CG 4.46Å; D359-K364 VanDerWaalsContact CG-NZ 3.28Å; D359-K364 WeakPolarHBondContact O-CA 3.44Å; D359-K364 PolarHBondContact O-N 3.44Å; D359-K364 WeakPolarHBondContact OD1-CD 3.25Å; D359-K364 IonicContact OD1-NZ 2.81Å; D359-K364 PolarHBondContact OD1-NZ 2.97Å; D359-K364 IonicContact OD2-NZ 3.08Å; D359-K364 PolarHBondContact OD2-NZ 3.01Å; D359-K364 VanDerWaalsContact OD2-NZ 3.08Å; D359-L365 HydrophobicContact CB-CB 3.79Å; D359-L365 PolarHBondContact O-N 3.04Å
360	Y	98.2	Very high	97.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.8	-49.3	175.1	-163.7	-136.2	0	0	0	112.1	S318 G320 H327 G332 D337 I356 R357 S362 G363 L365 T367 I370	S318-Y360 PolarHBondContact OG-OH 3.47Å; G320-Y360 PolarHBondContact N-OH 2.89Å; G320-Y360 VanDerWaalsContact N-OH 3.14Å; H327-Y360 AromaticContact CE1-CD2 3.79Å; H327-Y360 AromaticContact CE1-CE2 3.21Å; H327-Y360 WeakPolarHBondContact CE1-CE2 3.49Å; H327-Y360 AromaticContact CE1-CZ 3.81Å; H327-Y360 AromaticContact NE2-CD2 3.65Å; H327-Y360 AromaticContact NE2-CE2 3.51Å; G332-Y360 PolarHBondContact N-O 3.32Å; D337-Y360 HydrophobicContact CB-CE1 3.79Å; D337-Y360 PolarHBondContact OD2-OH 2.88Å; I356-Y360 VanDerWaalsContact O-CB 3.3Å; I356-Y360 WeakPolarHBondContact O-CB 3.22Å; I356-Y360 PolarHBondContact O-N 2.94Å; R357-Y360 PolarHBondContact O-N 2.61Å; Y360-S362 PolarHBondContact O-N 2.79Å; Y360-G363 PolarHBondContact O-N 3.32Å; Y360-L365 WeakPolarHBondContact CD2-O 3.35Å; Y360-T367 PolarHBondContact OH-OG1 3.5Å; Y360-I370 HydrophobicContact CD1-CD1 3.62Å; Y360-I370 HydrophobicContact CD2-CD1 3.09Å; Y360-I370 HydrophobicContact CD2-CG1 4.11Å; Y360-I370 HydrophobicContact CE1-CD1 3.98Å; Y360-I370 HydrophobicContact CE2-CD1 3.5Å; Y360-I370 HydrophobicContact CE2-CG1 4.39Å; Y360-I370 HydrophobicContact CG-CD1 3.13Å; Y360-I370 HydrophobicContact CG-CG1 4.46Å
361	S	97.5	Very high	97.6	Very high	49 Å²	49	53.7 Å²	53.7	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-19.9	-177.5	-66.6	0	0	0	0	113.5	G332 R357	G332-S361 WeakPolarHBondContact O-CA 3.26Å; G332-S361 PolarHBondContact O-OG 3.49Å; R357-S361 WeakPolarHBondContact O-CB 3.36Å; R357-S361 PolarHBondContact O-N 3.4Å; R357-S361 PolarHBondContact O-OG 3.3Å
362	S	97.5	Very high	97.7	Very high	71 Å²	71	52.8 Å²	52.8	50%	0.497	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.7	169.9	59.2	0	0	0	0	114.1	Q358 D359 Y360 K364	Q358-S362 WeakPolarHBondContact O-CB 3.24Å; Q358-S362 PolarHBondContact O-N 3.24Å; Q358-S362 PolarHBondContact O-OG 2.64Å; D359-S362 WeakPolarHBondContact CA-OG 3.44Å; D359-S362 PolarHBondContact O-OG 3.23Å; D359-S362 VanDerWaalsContact O-OG 3.11Å; Y360-S362 PolarHBondContact O-N 2.79Å; S362-K364 VanDerWaalsContact C-N 3.25Å; S362-K364 PolarHBondContact O-N 3.41Å
363	G	97.3	Very high	97.7	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	5.5	-174.8	0	0	0	0	0	114.3	H327 R328 D359 Y360	H327-G363 VanDerWaalsContact O-CA 3.3Å; H327-G363 WeakPolarHBondContact O-CA 3.3Å; R328-G363 WeakPolarHBondContact CD-O 3.36Å; R328-G363 PolarHBondContact NH1-O 3Å; D359-G363 PolarHBondContact O-N 3.39Å; Y360-G363 PolarHBondContact O-N 3.32Å
364	K	97.2	Very high	97.7	Very high	121 Å²	121	51.9 Å²	51.9	53%	0.526	27%	0.266	S	S	.	.	S	Bend	trans	-69.6	-36.6	175.8	176.6	173.9	155.1	-137.6	0	112.4	R328 D359 S362	R328-K364 VanDerWaalsContact NH1-CA 3.34Å; R328-K364 PolarHBondContact NH1-O 3.41Å; D359-K364 HydrophobicContact CB-CB 4.25Å; D359-K364 HydrophobicContact CB-CG 4.46Å; D359-K364 VanDerWaalsContact CG-NZ 3.28Å; D359-K364 WeakPolarHBondContact O-CA 3.44Å; D359-K364 PolarHBondContact O-N 3.44Å; D359-K364 WeakPolarHBondContact OD1-CD 3.25Å; D359-K364 IonicContact OD1-NZ 2.81Å; D359-K364 PolarHBondContact OD1-NZ 2.97Å; D359-K364 IonicContact OD2-NZ 3.08Å; D359-K364 PolarHBondContact OD2-NZ 3.01Å; D359-K364 VanDerWaalsContact OD2-NZ 3.08Å; S362-K364 VanDerWaalsContact C-N 3.25Å; S362-K364 PolarHBondContact O-N 3.41Å
365	L	96.7	Very high	97.7	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.141	25%	0.254	C	S	.	.	S	Bend	trans	-100	128.9	174.8	-165.6	66.9	0	0	0	108.9	H327 I356 D359 Y360 E369 I370	H327-L365 PolarHBondContact NE2-O 3.37Å; I356-L365 HydrophobicContact CG1-CD2 4.5Å; I356-L365 HydrophobicContact CG2-CD2 4.02Å; D359-L365 HydrophobicContact CB-CB 3.79Å; D359-L365 PolarHBondContact O-N 3.04Å; Y360-L365 WeakPolarHBondContact CD2-O 3.35Å; L365-E369 HydrophobicContact CD1-CB 3.49Å; L365-E369 VanDerWaalsContact CD1-CB 3.49Å; L365-E369 HydrophobicContact CD1-CG 4.31Å; L365-E369 HydrophobicContact CG-CB 3.97Å; L365-I370 HydrophobicContact CD2-CD1 3.95Å; L365-I370 HydrophobicContact CD2-CG1 3.35Å; L365-I370 HydrophobicContact CG-CG1 3.87Å
366	L	97.4	Very high	97.7	Very high	39 Å²	39	48.3 Å²	48.3	20%	0.204	25%	0.254	C	S	.	.			trans	-83.1	157.5	176.1	-60	178.9	0	0	0	111.1	I324 R328 G368 E369 I370	I324-L366 HydrophobicContact CG2-CD1 4.47Å; I324-L366 HydrophobicContact CG2-CD2 4.23Å; R328-L366 HydrophobicContact CG-CD2 4.5Å; L366-G368 PolarHBondContact O-N 3.32Å; L366-E369 HydrophobicContact CB-CG 4.35Å; L366-E369 WeakPolarHBondContact CB-OE2 3.09Å; L366-E369 PolarHBondContact N-OE2 3.31Å; L366-E369 WeakPolarHBondContact O-CB 3.38Å; L366-E369 PolarHBondContact O-N 3.1Å; L366-I370 PolarHBondContact O-N 3.1Å
367	T	97.2	Very high	97.7	Very high	26 Å²	26	49.5 Å²	49.5	16%	0.16	26%	0.261	C	S	.	.	H	α-helix	trans	-51.9	-41.4	175.7	-56.8	0	0	0	0	113.1	S318 Y360 E369 I370 K371	S318-T367 WeakPolarHBondContact OG-CG2 3.37Å; S318-T367 PolarHBondContact OG-OG1 2.84Å; S318-T367 VanDerWaalsContact OG-OG1 3.14Å; Y360-T367 PolarHBondContact OH-OG1 3.5Å; T367-E369 PolarHBondContact O-N 3.49Å; T367-I370 PolarHBondContact O-N 3.07Å; T367-K371 HydrophobicContact CG2-CD 4.25Å; T367-K371 HydrophobicContact CG2-CG 4.44Å; T367-K371 WeakPolarHBondContact O-CB 3.36Å; T367-K371 WeakPolarHBondContact O-CG 3.16Å; T367-K371 PolarHBondContact O-N 3.32Å
368	G	96.9	Very high	97.8	Very high	50 Å²	50	45.2 Å²	45.2	52%	0.515	24%	0.244	S	C	.	.	H	α-helix	trans	-62.2	-29.3	178.7	0	0	0	0	0	113.3	L366 K372	L366-G368 PolarHBondContact O-N 3.32Å; G368-K372 WeakPolarHBondContact O-CB 3.26Å; G368-K372 PolarHBondContact O-N 3.21Å
369	E	97.2	Very high	97.8	Very high	87 Å²	87	42.1 Å²	42.1	41%	0.407	23%	0.232	S	C	.	.	H	α-helix	trans	-77.8	-41.3	179.7	-60.3	176.9	104.6	0	0	111	L365 L366 T367 K372 E373	L365-E369 HydrophobicContact CD1-CB 3.49Å; L365-E369 VanDerWaalsContact CD1-CB 3.49Å; L365-E369 HydrophobicContact CD1-CG 4.31Å; L365-E369 HydrophobicContact CG-CB 3.97Å; L366-E369 HydrophobicContact CB-CG 4.35Å; L366-E369 WeakPolarHBondContact CB-OE2 3.09Å; L366-E369 PolarHBondContact N-OE2 3.31Å; L366-E369 WeakPolarHBondContact O-CB 3.38Å; L366-E369 PolarHBondContact O-N 3.1Å; T367-E369 PolarHBondContact O-N 3.49Å; E369-K372 WeakPolarHBondContact O-CB 3.09Å; E369-K372 PolarHBondContact O-N 2.72Å; E369-E373 PolarHBondContact O-N 3.18Å
370	I	97.2	Very high	97.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-45.7	172	-64.1	-173.9	0	0	0	111.3	L343 I356 Y360 L365 L366 T367 K372 E373 L374	L343-I370 HydrophobicContact CD1-CG2 3.87Å; I356-I370 HydrophobicContact CG2-CD1 4.12Å; I356-I370 HydrophobicContact CG2-CG1 4.22Å; Y360-I370 HydrophobicContact CD1-CD1 3.62Å; Y360-I370 HydrophobicContact CD2-CD1 3.09Å; Y360-I370 HydrophobicContact CD2-CG1 4.11Å; Y360-I370 HydrophobicContact CE1-CD1 3.98Å; Y360-I370 HydrophobicContact CE2-CD1 3.5Å; Y360-I370 HydrophobicContact CE2-CG1 4.39Å; Y360-I370 HydrophobicContact CG-CD1 3.13Å; Y360-I370 HydrophobicContact CG-CG1 4.46Å; L365-I370 HydrophobicContact CD2-CD1 3.95Å; L365-I370 HydrophobicContact CD2-CG1 3.35Å; L365-I370 HydrophobicContact CG-CG1 3.87Å; L366-I370 PolarHBondContact O-N 3.1Å; T367-I370 PolarHBondContact O-N 3.07Å; I370-K372 PolarHBondContact O-N 2.69Å; I370-E373 PolarHBondContact O-N 3.19Å; I370-L374 PolarHBondContact O-N 3.01Å
371	K	98.1	Very high	97.8	Very high	20 Å²	20	49.6 Å²	49.6	9%	0.087	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-40.6	175.8	-76	-172.1	176.3	-160.4	0	110.7	I312 N313 A316 S339 T367 L374 I375	I312-K371 HydrophobicContact CG2-CB 3.97Å; I312-K371 HydrophobicContact CG2-CD 4.24Å; I312-K371 HydrophobicContact CG2-CG 3.89Å; I312-K371 WeakPolarHBondContact O-CE 3.48Å; I312-K371 PolarHBondContact O-NZ 2.98Å; N313-K371 PolarHBondContact O-NZ 3.42Å; N313-K371 VanDerWaalsContact O-NZ 3.09Å; A316-K371 WeakPolarHBondContact O-CE 3.43Å; A316-K371 PolarHBondContact O-NZ 2.94Å; S339-K371 WeakPolarHBondContact OG-CG 3.32Å; T367-K371 HydrophobicContact CG2-CD 4.25Å; T367-K371 HydrophobicContact CG2-CG 4.44Å; T367-K371 WeakPolarHBondContact O-CB 3.36Å; T367-K371 WeakPolarHBondContact O-CG 3.16Å; T367-K371 PolarHBondContact O-N 3.32Å; K371-L374 PolarHBondContact O-N 3.33Å; K371-I375 WeakPolarHBondContact O-CB 3.41Å; K371-I375 VanDerWaalsContact O-CD1 3.26Å; K371-I375 WeakPolarHBondContact O-CD1 3.43Å; K371-I375 WeakPolarHBondContact O-CG1 3.39Å; K371-I375 PolarHBondContact O-N 2.87Å
372	K	98.2	Very high	97.8	Very high	144 Å²	144	47.3 Å²	47.3	63%	0.626	25%	0.249	S	C	*	.	H	α-helix	trans	-63.1	-46.5	176.5	-173.8	-175.9	176.4	-171.3	0	112.2	G368 E369 I370 L374 I375 T376	G368-K372 WeakPolarHBondContact O-CB 3.26Å; G368-K372 PolarHBondContact O-N 3.21Å; E369-K372 WeakPolarHBondContact O-CB 3.09Å; E369-K372 PolarHBondContact O-N 2.72Å; I370-K372 PolarHBondContact O-N 2.69Å; K372-L374 VanDerWaalsContact C-N 3.35Å; K372-L374 PolarHBondContact O-N 3.39Å; K372-I375 PolarHBondContact O-N 3.23Å; K372-T376 PolarHBondContact O-N 2.7Å; K372-T376 PolarHBondContact O-OG1 2.86Å; K372-T376 VanDerWaalsContact O-OG1 3.1Å
373	E	97.6	Very high	97.9	Very high	75 Å²	75	46.9 Å²	46.9	35%	0.35	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-47.6	175.3	-72.4	-65.4	142.2	0	0	111.4	K352 E369 I370 I375 T376 L377	K352-E373 WeakPolarHBondContact CE-OE2 3.34Å; K352-E373 IonicContact NZ-OE2 2.8Å; K352-E373 PolarHBondContact NZ-OE2 3.14Å; E369-E373 PolarHBondContact O-N 3.18Å; I370-E373 PolarHBondContact O-N 3.19Å; E373-I375 PolarHBondContact O-N 3.03Å; E373-T376 PolarHBondContact O-N 3.28Å; E373-L377 PolarHBondContact O-N 3.29Å; E373-L377 VanDerWaalsContact O-N 3.1Å
374	L	98.5	Very high	97.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-44.1	177.4	177.9	65.1	0	0	0	112.2	I312 Y342 L343 I370 K371 K372 T376 L377 L378	I312-L374 HydrophobicContact CD1-CD2 3.87Å; I312-L374 HydrophobicContact CG1-CD2 4.43Å; I312-L374 HydrophobicContact CG2-CD2 4.16Å; Y342-L374 HydrophobicContact CD2-CD2 4.02Å; Y342-L374 HydrophobicContact CG-CD2 4.32Å; L343-L374 HydrophobicContact CD2-CB 4.14Å; L343-L374 HydrophobicContact CD2-CD1 4.02Å; L343-L374 HydrophobicContact CG-CB 4.32Å; L343-L374 HydrophobicContact CG-CD1 4.2Å; I370-L374 PolarHBondContact O-N 3.01Å; K371-L374 PolarHBondContact O-N 3.33Å; K372-L374 VanDerWaalsContact C-N 3.35Å; K372-L374 PolarHBondContact O-N 3.39Å; L374-T376 VanDerWaalsContact C-N 3.3Å; L374-T376 PolarHBondContact O-N 2.87Å; L374-L377 PolarHBondContact O-N 2.59Å; L374-L378 HydrophobicContact CD1-CD1 3.69Å; L374-L378 HydrophobicContact CD1-CD2 4.19Å; L374-L378 HydrophobicContact CD1-CG 3.65Å; L374-L378 HydrophobicContact CD2-CD1 4.26Å; L374-L378 HydrophobicContact CG-CD1 3.76Å; L374-L378 HydrophobicContact CG-CG 4.07Å; L374-L378 WeakPolarHBondContact O-CB 3.23Å; L374-L378 WeakPolarHBondContact O-CG 3.02Å; L374-L378 PolarHBondContact O-N 3.29Å
375	I	98.6	Very high	98	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.082	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-43.4	179.5	-73.6	160.2	0	0	0	110.4	R309 I312 N313 K371 K372 E373 T379	R309-I375 HydrophobicContact CB-CD1 4.43Å; R309-I375 HydrophobicContact CB-CG2 4.07Å; R309-I375 HydrophobicContact CG-CD1 4.13Å; R309-I375 HydrophobicContact CG-CG2 4.46Å; I312-I375 HydrophobicContact CB-CD1 4.04Å; I312-I375 HydrophobicContact CB-CG1 3.74Å; I312-I375 HydrophobicContact CG1-CG1 4.02Å; I312-I375 HydrophobicContact CG2-CD1 3.99Å; I312-I375 HydrophobicContact CG2-CG1 3.8Å; N313-I375 WeakPolarHBondContact OD1-CD1 3.49Å; K371-I375 WeakPolarHBondContact O-CB 3.41Å; K371-I375 VanDerWaalsContact O-CD1 3.26Å; K371-I375 WeakPolarHBondContact O-CD1 3.43Å; K371-I375 WeakPolarHBondContact O-CG1 3.39Å; K371-I375 PolarHBondContact O-N 2.87Å; K372-I375 PolarHBondContact O-N 3.23Å; E373-I375 PolarHBondContact O-N 3.03Å; I375-T379 WeakPolarHBondContact O-CB 3.39Å; I375-T379 PolarHBondContact O-N 3.11Å; I375-T379 PolarHBondContact O-OG1 3.14Å
376	T	98.5	Very high	98.1	Very high	66 Å²	66	46.2 Å²	46.2	41%	0.405	24%	0.241	S	C	.	.	H	α-helix	trans	-59.8	-54.1	176.5	-58.3	0	0	0	0	110.5	K372 E373 L374 L378 T379 E380	K372-T376 PolarHBondContact O-N 2.7Å; K372-T376 PolarHBondContact O-OG1 2.86Å; K372-T376 VanDerWaalsContact O-OG1 3.1Å; E373-T376 PolarHBondContact O-N 3.28Å; L374-T376 VanDerWaalsContact C-N 3.3Å; L374-T376 PolarHBondContact O-N 2.87Å; T376-L378 PolarHBondContact O-N 2.67Å; T376-T379 PolarHBondContact O-N 3.2Å; T376-E380 WeakPolarHBondContact O-CG 3.3Å; T376-E380 PolarHBondContact O-N 2.79Å
377	L	98.3	Very high	98.1	Very high	38 Å²	38	51.6 Å²	51.6	20%	0.199	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-49.2	-179.3	-180	70	0	0	0	112.6	L343 F346 L347 E373 L374 E380 F381	L343-L377 HydrophobicContact CD2-CD2 3.83Å; F346-L377 HydrophobicContact CB-CD2 3.63Å; F346-L377 HydrophobicContact CB-CG 4.25Å; L347-L377 HydrophobicContact CB-CD2 3.92Å; E373-L377 PolarHBondContact O-N 3.29Å; E373-L377 VanDerWaalsContact O-N 3.1Å; L374-L377 PolarHBondContact O-N 2.59Å; L377-E380 PolarHBondContact O-N 2.79Å; L377-F381 WeakPolarHBondContact O-CB 3.2Å; L377-F381 PolarHBondContact O-N 3.48Å
378	L	98.4	Very high	98.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.9	-34.9	-179.9	-67	-176.8	0	0	0	112.2	L108 I308 I312 Y342 F346 L374 T376 F381 V382	L108-L378 HydrophobicContact CD1-CD1 3.78Å; L108-L378 HydrophobicContact CD1-CD2 3.62Å; L108-L378 HydrophobicContact CD1-CG 4.29Å; L108-L378 HydrophobicContact CD2-CD2 4.4Å; I308-L378 HydrophobicContact CG2-CB 4Å; I312-L378 HydrophobicContact CD1-CD1 4.08Å; I312-L378 HydrophobicContact CG1-CD1 4.42Å; Y342-L378 HydrophobicContact CD2-CD1 4.24Å; F346-L378 HydrophobicContact CD2-CD2 3.73Å; F346-L378 HydrophobicContact CE2-CD2 4.04Å; F346-L378 HydrophobicContact CG-CD2 4.05Å; L374-L378 HydrophobicContact CD1-CD1 3.69Å; L374-L378 HydrophobicContact CD1-CD2 4.19Å; L374-L378 HydrophobicContact CD1-CG 3.65Å; L374-L378 HydrophobicContact CD2-CD1 4.26Å; L374-L378 HydrophobicContact CG-CD1 3.76Å; L374-L378 HydrophobicContact CG-CG 4.07Å; L374-L378 WeakPolarHBondContact O-CB 3.23Å; L374-L378 WeakPolarHBondContact O-CG 3.02Å; L374-L378 PolarHBondContact O-N 3.29Å; T376-L378 PolarHBondContact O-N 2.67Å; L378-F381 PolarHBondContact O-N 3.15Å; L378-V382 VanDerWaalsContact O-CB 3.31Å; L378-V382 WeakPolarHBondContact O-CB 3.27Å; L378-V382 VanDerWaalsContact O-CG2 3.26Å; L378-V382 WeakPolarHBondContact O-CG2 3.46Å; L378-V382 PolarHBondContact O-N 2.91Å
379	T	98.5	Very high	98.2	Very high	28 Å²	28	54.1 Å²	54.1	17%	0.172	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-45.6	176.5	-62.7	0	0	0	0	110.5	P305 I375 T376 T383	P305-T379 HydrophobicContact CB-CG2 3.72Å; P305-T379 HydrophobicContact CG-CG2 3.84Å; I375-T379 WeakPolarHBondContact O-CB 3.39Å; I375-T379 PolarHBondContact O-N 3.11Å; I375-T379 PolarHBondContact O-OG1 3.14Å; T376-T379 PolarHBondContact O-N 3.2Å; T379-T383 WeakPolarHBondContact O-CB 3.3Å; T379-T383 PolarHBondContact O-N 3.29Å; T379-T383 PolarHBondContact O-OG1 2.75Å
380	E	98.3	Very high	98.3	Very high	123 Å²	123	54.3 Å²	54.3	58%	0.575	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-48.8	176.2	-71.6	172.8	-172.6	0	0	111.2	T376 L377 V382 T383 E384	T376-E380 WeakPolarHBondContact O-CG 3.3Å; T376-E380 PolarHBondContact O-N 2.79Å; L377-E380 PolarHBondContact O-N 2.79Å; E380-V382 PolarHBondContact O-N 3.27Å; E380-T383 PolarHBondContact O-N 3Å; E380-E384 WeakPolarHBondContact O-CB 3.34Å; E380-E384 PolarHBondContact O-N 3.18Å
381	F	98.3	Very high	98.3	Very high	60 Å²	60	57.5 Å²	57.5	26%	0.263	29%	0.294	S	S	.	.	H	α-helix	trans	-57.3	-51.7	178.3	-178.5	-94	0	0	0	112.4	L108 V111 M162 L301 F346 L377 L378 E384 H385	L108-F381 HydrophobicContact CD2-CD1 4.23Å; L108-F381 HydrophobicContact CD2-CE1 4.25Å; V111-F381 HydrophobicContact CG1-CE1 4.35Å; V111-F381 HydrophobicContact CG1-CZ 3.85Å; M162-F381 HydrophobicContact CE-CZ 4.29Å; L301-F381 HydrophobicContact CD2-CE1 4.07Å; F346-F381 HydrophobicContact CD1-CD2 4.43Å; F346-F381 HydrophobicContact CD1-CE2 4.48Å; F346-F381 HydrophobicContact CE1-CD1 4.33Å; F346-F381 HydrophobicContact CE1-CE1 4.07Å; F346-F381 HydrophobicContact CE1-CE2 4.39Å; F346-F381 HydrophobicContact CE1-CZ 4.11Å; L377-F381 WeakPolarHBondContact O-CB 3.2Å; L377-F381 PolarHBondContact O-N 3.48Å; L378-F381 PolarHBondContact O-N 3.15Å; F381-E384 PolarHBondContact O-N 2.81Å; F381-H385 WeakPolarHBondContact O-CB 3.47Å; F381-H385 PolarHBondContact O-N 3.47Å
382	V	98.5	Very high	98.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-38.9	-178.1	172.6	0	0	0	0	111.4	L108 L301 I308 L378 E380 H385 Q386	L108-V382 HydrophobicContact CD2-CG2 4.36Å; L301-V382 HydrophobicContact CD2-CG2 4.27Å; L301-V382 WeakPolarHBondContact O-CG1 3.21Å; I308-V382 HydrophobicContact CD1-CB 3.78Å; I308-V382 HydrophobicContact CD1-CG1 3.98Å; I308-V382 HydrophobicContact CD1-CG2 3.91Å; L378-V382 VanDerWaalsContact O-CB 3.31Å; L378-V382 WeakPolarHBondContact O-CB 3.27Å; L378-V382 VanDerWaalsContact O-CG2 3.26Å; L378-V382 WeakPolarHBondContact O-CG2 3.46Å; L378-V382 PolarHBondContact O-N 2.91Å; E380-V382 PolarHBondContact O-N 3.27Å; V382-H385 WeakPolarHBondContact O-CB 3.44Å; V382-H385 PolarHBondContact O-N 3.35Å; V382-Q386 HydrophobicContact CG1-CG 4.31Å; V382-Q386 VanDerWaalsContact CG1-NE2 3.31Å; V382-Q386 WeakPolarHBondContact O-CB 3.41Å; V382-Q386 VanDerWaalsContact O-CG 3.24Å; V382-Q386 WeakPolarHBondContact O-CG 3.39Å; V382-Q386 PolarHBondContact O-N 2.92Å
383	T	98.4	Very high	98.3	Very high	63 Å²	63	54.2 Å²	54.2	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-42.7	178.2	-57.5	0	0	0	0	111.2	T379 E380 Q386 R387	T379-T383 WeakPolarHBondContact O-CB 3.3Å; T379-T383 PolarHBondContact O-N 3.29Å; T379-T383 PolarHBondContact O-OG1 2.75Å; E380-T383 PolarHBondContact O-N 3Å; T383-Q386 PolarHBondContact O-N 3.35Å; T383-R387 PolarHBondContact O-N 2.94Å
384	E	98.2	Very high	98.3	Very high	72 Å²	72	54.9 Å²	54.9	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-39.3	176.4	177.3	58.8	-171.7	0	0	111.8	E380 F381 R387 K388	E380-E384 WeakPolarHBondContact O-CB 3.34Å; E380-E384 PolarHBondContact O-N 3.18Å; F381-E384 PolarHBondContact O-N 2.81Å; E384-R387 PolarHBondContact O-N 2.88Å; E384-R387 IonicContact OE1-CZ 2.76Å; E384-R387 IonicContact OE1-NE 2.7Å; E384-R387 IonicContact OE1-NH2 2.77Å; E384-R387 PolarHBondContact OE1-NH2 3.28Å; E384-R387 IonicContact OE2-CZ 3.88Å; E384-R387 IonicContact OE2-NE 3.49Å; E384-R387 PolarHBondContact OE2-NE 3.31Å; E384-R387 IonicContact OE2-NH2 3.73Å; E384-R387 PolarHBondContact OE2-NH2 2.97Å; E384-K388 WeakPolarHBondContact O-CG 3.39Å; E384-K388 PolarHBondContact O-N 2.89Å; E384-K388 WeakPolarHBondContact OE1-CE 3.33Å; E384-K388 IonicContact OE1-NZ 2.79Å
385	H	98.5	Very high	98.2	Very high	6 Å²	6	61.3 Å²	61.3	3%	0.028	32%	0.323	C	S	.	.	H	α-helix	trans	-58.8	-49.7	171.6	178.9	89.3	0	0	0	111.7	D158 L301 F381 V382 R387 K388 R389	D158-H385 PolarHBondContact O-CE1 3.32Å; D158-H385 IonicContact OD1-CE1 2.78Å; D158-H385 IonicContact OD1-NE2 3.62Å; D158-H385 PolarHBondContact OD1-NE2 3.22Å; L301-H385 WeakPolarHBondContact CD1-CE1 3.43Å; L301-H385 WeakPolarHBondContact CD1-NE2 3.36Å; F381-H385 WeakPolarHBondContact O-CB 3.47Å; F381-H385 PolarHBondContact O-N 3.47Å; V382-H385 WeakPolarHBondContact O-CB 3.44Å; V382-H385 PolarHBondContact O-N 3.35Å; H385-R387 VanDerWaalsContact C-N 3.29Å; H385-R387 PolarHBondContact O-N 3.12Å; H385-K388 PolarHBondContact O-N 3.37Å; H385-K388 VanDerWaalsContact O-N 3.17Å; H385-R389 WeakPolarHBondContact O-CB 3.46Å; H385-R389 PolarHBondContact O-N 3.44Å
386	Q	98.4	Very high	98.2	Very high	58 Å²	58	62.5 Å²	62.5	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-41	178.6	-74.1	169.7	-0.9	0	0	111.7	L301 D303 V382 T383 R389 A390	L301-Q386 VanDerWaalsContact O-CG 3.24Å; L301-Q386 WeakPolarHBondContact O-CG 3.39Å; L301-Q386 PolarHBondContact O-NE2 2.95Å; D303-Q386 PolarHBondContact O-NE2 3.39Å; V382-Q386 HydrophobicContact CG1-CG 4.31Å; V382-Q386 VanDerWaalsContact CG1-NE2 3.31Å; V382-Q386 WeakPolarHBondContact O-CB 3.41Å; V382-Q386 VanDerWaalsContact O-CG 3.24Å; V382-Q386 WeakPolarHBondContact O-CG 3.39Å; V382-Q386 PolarHBondContact O-N 2.92Å; T383-Q386 PolarHBondContact O-N 3.35Å; Q386-R389 PolarHBondContact O-N 3Å; Q386-A390 WeakPolarHBondContact O-CB 3.4Å; Q386-A390 PolarHBondContact O-N 2.97Å
387	R	98.5	Very high	98.2	Very high	151 Å²	151	59.4 Å²	59.4	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-61.7	-46.5	175.3	-169.6	-167.2	67.9	75.5	-0.1	111.9	T383 E384 H385	T383-R387 PolarHBondContact O-N 2.94Å; E384-R387 PolarHBondContact O-N 2.88Å; E384-R387 IonicContact OE1-CZ 2.76Å; E384-R387 IonicContact OE1-NE 2.7Å; E384-R387 IonicContact OE1-NH2 2.77Å; E384-R387 PolarHBondContact OE1-NH2 3.28Å; E384-R387 IonicContact OE2-CZ 3.88Å; E384-R387 IonicContact OE2-NE 3.49Å; E384-R387 PolarHBondContact OE2-NE 3.31Å; E384-R387 IonicContact OE2-NH2 3.73Å; E384-R387 PolarHBondContact OE2-NH2 2.97Å; H385-R387 VanDerWaalsContact C-N 3.29Å; H385-R387 PolarHBondContact O-N 3.12Å
388	K	98.3	Very high	98.1	Very high	79 Å²	79	64.4 Å²	64.4	34%	0.343	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-43.6	176.4	-71.7	177.1	-177.5	166.6	0	111.7	A161 E384 H385 A390 A391 I392	A161-K388 HydrophobicContact CB-CB 4.04Å; A161-K388 WeakPolarHBondContact O-CD 3.47Å; E384-K388 WeakPolarHBondContact O-CG 3.39Å; E384-K388 PolarHBondContact O-N 2.89Å; E384-K388 WeakPolarHBondContact OE1-CE 3.33Å; E384-K388 IonicContact OE1-NZ 2.79Å; H385-K388 PolarHBondContact O-N 3.37Å; H385-K388 VanDerWaalsContact O-N 3.17Å; K388-A390 VanDerWaalsContact C-N 3.34Å; K388-A390 PolarHBondContact O-N 3.48Å; K388-A391 WeakPolarHBondContact O-CB 3.36Å; K388-A391 PolarHBondContact O-N 2.9Å; K388-A391 VanDerWaalsContact O-N 3.12Å; K388-I392 WeakPolarHBondContact O-CG1 3.3Å
389	R	98.2	Very high	98.1	Very high	51 Å²	51	69 Å²	69	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-41.3	178.2	-168.1	-167.5	-168.6	-84.5	-2.1	112	E154 K157 D158 A161 H385 Q386 A391 I392	E154-R389 PolarHBondContact O-NH2 3.26Å; E154-R389 IonicContact OE2-CZ 3.47Å; E154-R389 IonicContact OE2-NH1 3.34Å; E154-R389 PolarHBondContact OE2-NH1 3.23Å; E154-R389 IonicContact OE2-NH2 2.76Å; E154-R389 PolarHBondContact OE2-NH2 2.82Å; K157-R389 HydrophobicContact CB-CG 4.32Å; D158-R389 WeakPolarHBondContact OD1-CD 3.36Å; D158-R389 IonicContact OD1-CZ 2.72Å; D158-R389 IonicContact OD1-NE 2.83Å; D158-R389 PolarHBondContact OD1-NE 2.85Å; A161-R389 HydrophobicContact CB-CB 3.8Å; A161-R389 HydrophobicContact CB-CG 4.41Å; H385-R389 WeakPolarHBondContact O-CB 3.46Å; H385-R389 PolarHBondContact O-N 3.44Å; Q386-R389 PolarHBondContact O-N 3Å; R389-A391 PolarHBondContact O-N 3.05Å; R389-I392 WeakPolarHBondContact O-CB 3.48Å; R389-I392 WeakPolarHBondContact O-CG1 3.45Å; R389-I392 PolarHBondContact O-N 2.95Å; R389-I392 VanDerWaalsContact O-N 3.1Å
390	A	98.1	Very high	98.1	Very high	91 Å²	91	68 Å²	68	75%	0.752	35%	0.347	S	S	*	.	H	α-helix	trans	-64	-22	177.7	0	0	0	0	0	113.4	Q386 K388	Q386-A390 WeakPolarHBondContact O-CB 3.4Å; Q386-A390 PolarHBondContact O-N 2.97Å; K388-A390 VanDerWaalsContact C-N 3.34Å; K388-A390 PolarHBondContact O-N 3.48Å
391	A	97.7	Very high	98	Very high	66 Å²	66	63.4 Å²	63.4	55%	0.545	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.5	176.3	0	0	0	0	0	113.7	K388 R389 T393	K388-A391 WeakPolarHBondContact O-CB 3.36Å; K388-A391 PolarHBondContact O-N 2.9Å; K388-A391 VanDerWaalsContact O-N 3.12Å; R389-A391 PolarHBondContact O-N 3.05Å; A391-T393 PolarHBondContact O-N 3.24Å
392	I	98.2	Very high	98	Very high	29 Å²	29	63.6 Å²	63.6	15%	0.149	33%	0.332	C	S	.	.			trans	-82.7	103.8	-178.2	-51.7	-49	0	0	0	109.7	K157 I160 K388 R389 V396	K157-I392 HydrophobicContact CG-CB 4.49Å; K157-I392 HydrophobicContact CG-CG2 4.06Å; I160-I392 HydrophobicContact CB-CD1 4.46Å; I160-I392 HydrophobicContact CD1-CG2 4.28Å; I160-I392 HydrophobicContact CG2-CD1 3.55Å; I160-I392 HydrophobicContact CG2-CG1 4.12Å; I160-I392 HydrophobicContact CG2-CG2 4.32Å; K388-I392 WeakPolarHBondContact O-CG1 3.3Å; R389-I392 WeakPolarHBondContact O-CB 3.48Å; R389-I392 WeakPolarHBondContact O-CG1 3.45Å; R389-I392 PolarHBondContact O-N 2.95Å; R389-I392 VanDerWaalsContact O-N 3.1Å; I392-V396 HydrophobicContact CD1-CG1 4.16Å; I392-V396 HydrophobicContact CG2-CB 4.15Å; I392-V396 HydrophobicContact CG2-CG1 4.06Å
393	T	98.1	Very high	97.8	Very high	66 Å²	66	65.8 Å²	65.8	41%	0.405	35%	0.346	S	S	.	.			trans	-82.6	170.6	174	77.1	0	0	0	0	111.5	A391 E395 V396 L397	A391-T393 PolarHBondContact O-N 3.24Å; T393-E395 WeakPolarHBondContact CB-OE2 3.33Å; T393-E395 PolarHBondContact O-N 3.46Å; T393-E395 PolarHBondContact OG1-N 2.8Å; T393-E395 PolarHBondContact OG1-OE2 2.99Å; T393-V396 PolarHBondContact O-N 2.94Å; T393-V396 PolarHBondContact OG1-N 3.2Å; T393-L397 PolarHBondContact O-N 3.39Å
394	D	97.6	Very high	97.6	Very high	90 Å²	90	64.7 Å²	64.7	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-30.4	174.1	-78.2	-32.7	0	0	0	112.2	R153 L397 K398	R153-D394 IonicContact CZ-OD1 3.43Å; R153-D394 IonicContact NH2-OD1 3.26Å; R153-D394 PolarHBondContact NH2-OD1 2.97Å; D394-L397 PolarHBondContact O-N 3.47Å; D394-K398 VanDerWaalsContact O-CB 3.23Å; D394-K398 WeakPolarHBondContact O-CB 3.39Å; D394-K398 PolarHBondContact O-N 2.85Å
395	E	97.7	Very high	97.3	Very high	135 Å²	135	64.1 Å²	64.1	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-66.7	-43.2	173.8	-61.8	71.9	-156.2	0	0	111.5	T393 K398 Q399	T393-E395 WeakPolarHBondContact CB-OE2 3.33Å; T393-E395 PolarHBondContact O-N 3.46Å; T393-E395 PolarHBondContact OG1-N 2.8Å; T393-E395 PolarHBondContact OG1-OE2 2.99Å; E395-K398 PolarHBondContact O-N 3.2Å; E395-Q399 PolarHBondContact O-N 3.08Å
396	V	98	Very high	96.9	Very high	40 Å²	40	64 Å²	64	24%	0.242	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-46.7	175.3	179.3	0	0	0	0	109.6	I160 I392 T393 K398 Q399 F400	I160-V396 HydrophobicContact CG2-CG1 4.12Å; I392-V396 HydrophobicContact CD1-CG1 4.16Å; I392-V396 HydrophobicContact CG2-CB 4.15Å; I392-V396 HydrophobicContact CG2-CG1 4.06Å; T393-V396 PolarHBondContact O-N 2.94Å; T393-V396 PolarHBondContact OG1-N 3.2Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 PolarHBondContact O-N 3.02Å; V396-Q399 WeakPolarHBondContact O-CB 3.37Å; V396-Q399 PolarHBondContact O-N 2.89Å; V396-Q399 VanDerWaalsContact O-N 3.11Å; V396-F400 HydrophobicContact CG1-CD2 4.27Å; V396-F400 HydrophobicContact CG1-CE2 4.09Å; V396-F400 WeakPolarHBondContact O-CD2 3.36Å; V396-F400 PolarHBondContact O-N 2.83Å
397	L	97.8	Very high	96.2	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-57	-46.9	176.6	-176.8	64.2	0	0	0	111.4	R153 A156 K157 I160 T393 D394 Q399 F400 M401	R153-L397 HydrophobicContact CB-CD2 4.33Å; R153-L397 HydrophobicContact CG-CD2 4.39Å; A156-L397 HydrophobicContact CB-CD1 3.52Å; K157-L397 HydrophobicContact CG-CD1 4.5Å; I160-L397 HydrophobicContact CD1-CD1 3.73Å; T393-L397 PolarHBondContact O-N 3.39Å; D394-L397 PolarHBondContact O-N 3.47Å; L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 PolarHBondContact O-N 2.91Å; L397-F400 PolarHBondContact O-N 3.44Å; L397-M401 HydrophobicContact CD1-CG 4.23Å; L397-M401 HydrophobicContact CD1-SD 3.6Å; L397-M401 VanDerWaalsContact CD1-SD 3.6Å; L397-M401 HydrophobicContact CD2-SD 4.49Å; L397-M401 HydrophobicContact CG-SD 3.88Å; L397-M401 WeakPolarHBondContact O-CB 3.37Å; L397-M401 WeakPolarHBondContact O-CG 3.46Å; L397-M401 PolarHBondContact O-N 2.89Å
398	K	97.2	Very high	95.1	Very high	143 Å²	143	62.3 Å²	62.3	62%	0.622	33%	0.331	S	S	*	.	H	α-helix	trans	-61.3	-35.8	177.1	-177.2	174.6	178	178.8	0	112.3	D394 E395 V396 F400 M401 T402	D394-K398 VanDerWaalsContact O-CB 3.23Å; D394-K398 WeakPolarHBondContact O-CB 3.39Å; D394-K398 PolarHBondContact O-N 2.85Å; E395-K398 PolarHBondContact O-N 3.2Å; V396-K398 VanDerWaalsContact C-N 3.31Å; V396-K398 PolarHBondContact O-N 3.02Å; K398-F400 VanDerWaalsContact C-N 3.34Å; K398-F400 PolarHBondContact O-N 2.69Å; K398-M401 PolarHBondContact O-N 3.28Å; K398-T402 WeakPolarHBondContact CG-OG1 3.19Å; K398-T402 VanDerWaalsContact O-CB 3.28Å; K398-T402 WeakPolarHBondContact O-CB 3.45Å; K398-T402 PolarHBondContact O-N 2.78Å; K398-T402 PolarHBondContact O-OG1 2.68Å
399	Q	97.1	Very high	93.8	Very high	98 Å²	98	58.7 Å²	58.7	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-42.1	176.9	-173.4	-178.4	8.9	0	0	112	P166 E395 V396 L397 H404	P166-Q399 HydrophobicContact CB-CG 4.01Å; E395-Q399 PolarHBondContact O-N 3.08Å; V396-Q399 WeakPolarHBondContact O-CB 3.37Å; V396-Q399 PolarHBondContact O-N 2.89Å; V396-Q399 VanDerWaalsContact O-N 3.11Å; L397-Q399 VanDerWaalsContact C-N 3.29Å; L397-Q399 PolarHBondContact O-N 2.91Å; Q399-H404 PolarHBondContact O-CE1 2.96Å; Q399-H404 PolarHBondContact O-ND1 2.79Å
400	F	98.2	Very high	92.6	Very high	6 Å²	6	60.4 Å²	60.4	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-75.9	-32.3	176.9	-79.3	-94	0	0	0	113.1	I160 F164 P166 T169 F170 I171 V396 L397 K398	I160-F400 HydrophobicContact CB-CE2 4.39Å; I160-F400 HydrophobicContact CD1-CB 3.95Å; I160-F400 HydrophobicContact CD1-CD2 3.67Å; I160-F400 HydrophobicContact CD1-CE2 4.33Å; I160-F400 HydrophobicContact CD1-CG 3.88Å; I160-F400 HydrophobicContact CG1-CB 4.25Å; I160-F400 HydrophobicContact CG1-CD1 4.13Å; I160-F400 HydrophobicContact CG1-CD2 3.73Å; I160-F400 HydrophobicContact CG1-CE1 4.38Å; I160-F400 HydrophobicContact CG1-CE2 4.02Å; I160-F400 HydrophobicContact CG1-CG 3.78Å; I160-F400 HydrophobicContact CG1-CZ 4.33Å; I160-F400 HydrophobicContact CG2-CD2 4.01Å; I160-F400 HydrophobicContact CG2-CE2 3.52Å; I160-F400 HydrophobicContact CG2-CZ 3.92Å; F164-F400 HydrophobicContact CB-CE1 4.06Å; F164-F400 WeakPolarHBondContact O-CZ 3.34Å; P166-F400 HydrophobicContact CB-CD1 4.47Å; P166-F400 HydrophobicContact CB-CD2 4.12Å; P166-F400 HydrophobicContact CB-CE1 4.05Å; P166-F400 HydrophobicContact CB-CE2 3.65Å; P166-F400 HydrophobicContact CB-CZ 3.62Å; P166-F400 HydrophobicContact CG-CE2 4.27Å; P166-F400 HydrophobicContact CG-CZ 4.16Å; T169-F400 HydrophobicContact CG2-CD1 4Å; T169-F400 HydrophobicContact CG2-CE1 4.08Å; F170-F400 WeakPolarHBondContact CD2-O 3.39Å; I171-F400 HydrophobicContact CB-CB 4.47Å; I171-F400 HydrophobicContact CD1-CB 4.05Å; I171-F400 HydrophobicContact CD1-CD1 3.9Å; I171-F400 HydrophobicContact CD1-CG 4.22Å; I171-F400 HydrophobicContact CG1-CB 4.18Å; I171-F400 HydrophobicContact CG1-CD1 4.16Å; I171-F400 PolarHBondContact N-O 3.3Å; V396-F400 HydrophobicContact CG1-CD2 4.27Å; V396-F400 HydrophobicContact CG1-CE2 4.09Å; V396-F400 WeakPolarHBondContact O-CD2 3.36Å; V396-F400 PolarHBondContact O-N 2.83Å; L397-F400 PolarHBondContact O-N 3.44Å; K398-F400 VanDerWaalsContact C-N 3.34Å; K398-F400 PolarHBondContact O-N 2.69Å
401	M	97.9	Very high	90.9	Very high	26 Å²	26	63.1 Å²	63.1	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-94.6	-12.1	-172.1	-63.2	-172.4	72.4	0	0	115.6	T152 A156 I171 L397 K398	T152-M401 HydrophobicContact CG2-CE 4.22Å; A156-M401 HydrophobicContact CB-SD 4.01Å; I171-M401 HydrophobicContact CB-CG 4.34Å; I171-M401 VanDerWaalsContact O-CA 3.24Å; I171-M401 WeakPolarHBondContact O-CA 3.09Å; L397-M401 HydrophobicContact CD1-CG 4.23Å; L397-M401 HydrophobicContact CD1-SD 3.6Å; L397-M401 VanDerWaalsContact CD1-SD 3.6Å; L397-M401 HydrophobicContact CD2-SD 4.49Å; L397-M401 HydrophobicContact CG-SD 3.88Å; L397-M401 WeakPolarHBondContact O-CB 3.37Å; L397-M401 WeakPolarHBondContact O-CG 3.46Å; L397-M401 PolarHBondContact O-N 2.89Å; K398-M401 PolarHBondContact O-N 3.28Å
402	T	96.6	Very high	90.6	Very high	65 Å²	65	63 Å²	63	40%	0.399	31%	0.314	S	S	.	.	S	Bend	trans	-84.3	128.3	172.8	-54.6	0	0	0	0	109.1	K398 H404	K398-T402 WeakPolarHBondContact CG-OG1 3.19Å; K398-T402 VanDerWaalsContact O-CB 3.28Å; K398-T402 WeakPolarHBondContact O-CB 3.45Å; K398-T402 PolarHBondContact O-N 2.78Å; K398-T402 PolarHBondContact O-OG1 2.68Å; T402-H404 PolarHBondContact O-N 3.43Å; T402-H404 PolarHBondContact O-ND1 2.81Å
403	P	95.5	Very high	90.2	Very high	45 Å²	45	64.7 Å²	64.7	29%	0.292	32%	0.323	S	S	.	.			trans	-54.6	126.8	173.8	-25.4	33.7	0	0	0	111.4	F170 Y177 T232	F170-P403 HydrophobicContact CE2-CB 4.23Å; F170-P403 HydrophobicContact CE2-CG 3.95Å; F170-P403 HydrophobicContact CZ-CB 4.28Å; F170-P403 HydrophobicContact CZ-CG 3.86Å; Y177-P403 HydrophobicContact CD2-CG 4.05Å; Y177-P403 HydrophobicContact CE2-CB 4.44Å; Y177-P403 HydrophobicContact CE2-CG 3.82Å; T232-P403 HydrophobicContact CG2-CB 4.17Å
404	H	93.3	Very high	89.8	Confident	40 Å²	40	64.7 Å²	64.7	19%	0.185	32%	0.318	C	S	.	.			trans	-150.6	152.5	-179.9	61.4	-85.8	0	0	0	110.4	P166 V233 Q399 T402 L406	P166-H404 PolarHBondContact O-NE2 3.11Å; V233-H404 WeakPolarHBondContact CA-O 3.3Å; Q399-H404 PolarHBondContact O-CE1 2.96Å; Q399-H404 PolarHBondContact O-ND1 2.79Å; T402-H404 PolarHBondContact O-N 3.43Å; T402-H404 PolarHBondContact O-ND1 2.81Å; H404-L406 VanDerWaalsContact NE2-CD2 3.27Å; H404-L406 WeakPolarHBondContact NE2-CD2 3.34Å; H404-L406 PolarHBondContact O-N 2.88Å
405	P	92.4	Very high	89.3	Confident	60 Å²	60	63.2 Å²	63.2	39%	0.39	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-61.1	124.2	176.1	-23.5	34.4	0	0	0	111.1	T232 E235	T232-P405 VanDerWaalsContact O-CA 3.32Å; T232-P405 WeakPolarHBondContact O-CA 3.39Å; E235-P405 WeakPolarHBondContact OE2-CG 3.47Å
406	L	89.7	Confident	88.8	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.026	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-83.3	148.2	174.4	-59.3	-178.9	0	0	0	110.3	P127 K167 F170 V233 H404 L408	P127-L406 HydrophobicContact CB-CB 4.03Å; P127-L406 HydrophobicContact CB-CD1 3.64Å; K167-L406 WeakPolarHBondContact O-CA 3.48Å; F170-L406 HydrophobicContact CB-CD1 4.36Å; F170-L406 HydrophobicContact CB-CD2 4.33Å; V233-L406 HydrophobicContact CG1-CB 4.38Å; V233-L406 HydrophobicContact CG1-CD1 3.3Å; V233-L406 HydrophobicContact CG1-CG 3.47Å; V233-L406 VanDerWaalsContact CG1-CG 3.47Å; V233-L406 PolarHBondContact O-N 3.5Å; H404-L406 VanDerWaalsContact NE2-CD2 3.27Å; H404-L406 WeakPolarHBondContact NE2-CD2 3.34Å; H404-L406 PolarHBondContact O-N 2.88Å; L406-L408 PolarHBondContact O-N 3.37Å
407	R	83.3	Confident	88.2	Confident	150 Å²	150	59.9 Å²	59.9	57%	0.566	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-67	120.4	167	-178.1	179.4	174.9	176.6	0	109	D125 K167 K168	D125-R407 IonicContact OD2-CZ 2.99Å; D125-R407 IonicContact OD2-NE 3.8Å; D125-R407 PolarHBondContact OD2-NE 3.06Å; D125-R407 IonicContact OD2-NH2 3.36Å; K167-R407 PolarHBondContact O-N 2.9Å; K168-R407 HydrophobicContact CG-CB 4.19Å
408	L	76.2	Confident	87.5	Confident	22 Å²	22	64.1 Å²	64.1	12%	0.115	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-95.7	138.7	177.7	-59.6	177.6	0	0	0	110.4	P127 F234 L237 L406 I411	P127-L408 HydrophobicContact CB-CD2 4.13Å; P127-L408 HydrophobicContact CG-CD2 3.64Å; F234-L408 HydrophobicContact CD1-CD2 3.87Å; F234-L408 HydrophobicContact CE1-CD2 4.04Å; L237-L408 HydrophobicContact CD1-CD1 3.79Å; L237-L408 HydrophobicContact CD2-CD1 3.8Å; L237-L408 HydrophobicContact CG-CD1 3.47Å; L237-L408 VanDerWaalsContact CG-CD1 3.47Å; L406-L408 PolarHBondContact O-N 3.37Å; L408-I411 HydrophobicContact CB-CD1 3.63Å; L408-I411 HydrophobicContact CB-CG1 4.11Å; L408-I411 HydrophobicContact CD1-CD1 3.45Å; L408-I411 VanDerWaalsContact CD1-CD1 3.45Å; L408-I411 HydrophobicContact CG-CD1 4.17Å
409	P	71.7	Confident	86.7	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.026	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	153	171.7	34.4	-39.5	0	0	0	109.1	D125 I126 I411	D125-P409 HydrophobicContact CB-CB 4.37Å; D125-P409 WeakPolarHBondContact O-CB 3.36Å; D125-P409 WeakPolarHBondContact O-CD 3.28Å; I126-P409 HydrophobicContact CD1-CB 4.22Å; I126-P409 HydrophobicContact CD1-CG 3.68Å; P409-I411 VanDerWaalsContact C-N 3.26Å; P409-I411 PolarHBondContact O-N 2.79Å
410	F	72.8	Confident	85.9	Confident	86 Å²	86	54.8 Å²	54.8	38%	0.377	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	12.7	169.2	-35.4	-60.6	0	0	0	116.8	K90 F93 I126	K90-F410 HydrophobicContact CB-CB 4.11Å; K90-F410 HydrophobicContact CB-CD1 3.94Å; K90-F410 HydrophobicContact CB-CG 4.03Å; K90-F410 HydrophobicContact CG-CD1 4.21Å; K90-F410 VanDerWaalsContact O-CB 3.29Å; K90-F410 WeakPolarHBondContact O-CB 3.33Å; F93-F410 HydrophobicContact CE1-CE2 4.49Å; I126-F410 HydrophobicContact CD1-CE2 4.18Å; I126-F410 HydrophobicContact CD1-CZ 4.47Å
411	I	62.9	Low	84.7	Confident	148 Å²	148	59.2 Å²	59.2	76%	0.759	30%	0.297	S	S	*	.			trans	-104.7	0	175.5	-56.2	-172.5	0	0	0	111.3	L237 L408 P409	L237-I411 HydrophobicContact CD2-CD1 3.74Å; L408-I411 HydrophobicContact CB-CD1 3.63Å; L408-I411 HydrophobicContact CB-CG1 4.11Å; L408-I411 HydrophobicContact CD1-CD1 3.45Å; L408-I411 VanDerWaalsContact CD1-CD1 3.45Å; L408-I411 HydrophobicContact CG-CD1 4.17Å; P409-I411 VanDerWaalsContact C-N 3.26Å; P409-I411 PolarHBondContact O-N 2.79Å

Retrieved 411 of 411 residues in 151 ms (Link to these results)

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