A0A5K4F354_SCHMA Loading...

Desmoplakin SH3 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F354, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	37	Very low	47.8	Very low	245 Å²	245	135.2 Å²	135.2	100%	1.207	77%	0.767	S	S	*	*				0	91.8	0	-72.8	177.9	162.3	0	0	107.3	S3	M1-S3 PolarHBondContact O-N 3.31Å
2	T	37.9	Very low	50.7	Low	139 Å²	139	129.5 Å²	129.5	85%	0.853	73%	0.733	S	S	*	*			trans	-73	103.3	175.7	40	0	0	0	0	107.4	Q4	T2-Q4 PolarHBondContact O-N 3.46Å
3	S	36.1	Very low	53.3	Low	102 Å²	102	125.1 Å²	125.1	71%	0.713	72%	0.715	S	S	*	*			trans	-59.5	106.7	175	55.5	0	0	0	0	108.2	M1 V5	M1-S3 PolarHBondContact O-N 3.31Å; S3-V5 PolarHBondContact O-N 3.01Å
4	Q	38.6	Very low	55.7	Low	190 Å²	190	122.3 Å²	122.3	89%	0.888	70%	0.697	S	S	*	*			trans	-62.6	90.8	161.4	-75.6	178.2	-36.3	0	0	106.1	T2 G6	T2-Q4 PolarHBondContact O-N 3.46Å; Q4-G6 VanDerWaalsContact C-N 3.27Å; Q4-G6 PolarHBondContact O-N 3.3Å
5	V	43	Very low	58	Low	115 Å²	115	119.7 Å²	119.7	70%	0.697	67%	0.672	S	S	*	*			trans	-63.2	102.5	161.9	178.9	0	0	0	0	103.7	S3 V7	S3-V5 PolarHBondContact O-N 3.01Å; V5-V7 VanDerWaalsContact C-N 3.31Å; V5-V7 PolarHBondContact O-N 3.1Å
6	G	41.2	Very low	59.9	Low	65 Å²	65	112.3 Å²	112.3	67%	0.67	63%	0.631	S	S	*	*			trans	-57.8	100.7	173.2	0	0	0	0	0	107	Q4 E8	Q4-G6 VanDerWaalsContact C-N 3.27Å; Q4-G6 PolarHBondContact O-N 3.3Å; G6-E8 PolarHBondContact O-N 3.01Å
7	V	45.6	Very low	61.7	Low	122 Å²	122	113 Å²	113	74%	0.739	63%	0.625	S	S	*	*			trans	-70.2	94	168.8	-178.6	0	0	0	0	104.2	V5 T9	V5-V7 VanDerWaalsContact C-N 3.31Å; V5-V7 PolarHBondContact O-N 3.1Å; V7-T9 VanDerWaalsContact C-N 3.33Å; V7-T9 PolarHBondContact O-N 2.85Å
8	E	47	Very low	63.4	Low	172 Å²	172	112.1 Å²	112.1	80%	0.804	62%	0.619	S	S	*	*			trans	-58.3	103.6	166.8	-77.3	-176.5	162.7	0	0	106.6	G6 V10	G6-E8 PolarHBondContact O-N 3.01Å; E8-V10 PolarHBondContact O-N 2.9Å
9	T	54.2	Low	65	Low	124 Å²	124	106.8 Å²	106.8	76%	0.761	59%	0.59	S	S	*	*			trans	-71.4	85.6	171.7	48.7	0	0	0	0	107.2	V7 Q11	V7-T9 VanDerWaalsContact C-N 3.33Å; V7-T9 PolarHBondContact O-N 2.85Å; T9-Q11 PolarHBondContact O-N 2.82Å
10	V	64.3	Low	66.4	Low	82 Å²	82	104.2 Å²	104.2	50%	0.497	57%	0.573	S	S	.	*			trans	-64.1	129.5	169.8	-177.7	0	0	0	0	107.3	E8 L12 D14	E8-V10 PolarHBondContact O-N 2.9Å; V10-L12 PolarHBondContact O-N 3.05Å; V10-D14 HydrophobicContact CG1-CB 4.09Å
11	Q	81.4	Confident	67.6	Low	131 Å²	131	102.7 Å²	102.7	61%	0.612	57%	0.565	S	S	*	*			trans	-59	131.8	173.5	-69.9	-69.9	-19	0	0	108.4	T9 S13 D14 Y15	T9-Q11 PolarHBondContact O-N 2.82Å; Q11-S13 PolarHBondContact O-N 3.15Å; Q11-D14 HydrophobicContact CB-CB 4.5Å; Q11-D14 PolarHBondContact O-N 3.45Å; Q11-Y15 PolarHBondContact O-N 3.12Å; Q11-Y15 VanDerWaalsContact O-N 3.12Å
12	L	82.4	Confident	70.2	Confident	67 Å²	67	92.2 Å²	92.2	35%	0.351	52%	0.516	S	S	.	.	H	α-helix	trans	-54	-33	-178.5	179.4	61.7	0	0	0	111.8	V10 Y15 L16 I52 I63	V10-L12 PolarHBondContact O-N 3.05Å; L12-Y15 PolarHBondContact O-N 3.35Å; L12-L16 HydrophobicContact CD1-CG 4.41Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.05Å; L12-I52 HydrophobicContact CD1-CD1 4.18Å; L12-I52 HydrophobicContact CD1-CG1 4.38Å; L12-I52 HydrophobicContact CD1-CG2 4.08Å; L12-I63 HydrophobicContact CD2-CD1 3.95Å
13	S	83.7	Confident	72.9	Confident	72 Å²	72	85.6 Å²	85.6	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-60.2	-43.9	173.9	54.9	0	0	0	0	113.3	Q11 Y15 L16 K17	Q11-S13 PolarHBondContact O-N 3.15Å; S13-Y15 VanDerWaalsContact C-N 3.35Å; S13-L16 PolarHBondContact O-N 2.98Å; S13-K17 WeakPolarHBondContact O-CB 3.34Å; S13-K17 PolarHBondContact O-N 3.36Å
14	D	87.7	Confident	75.6	Confident	86 Å²	86	83.5 Å²	83.5	46%	0.46	46%	0.455	S	S	.	.	H	α-helix	trans	-71	-37.5	-179.1	-63.7	-20.3	0	0	0	110.3	V10 Q11 K17 N18	V10-D14 HydrophobicContact CG1-CB 4.09Å; Q11-D14 HydrophobicContact CB-CB 4.5Å; Q11-D14 PolarHBondContact O-N 3.45Å; D14-K17 PolarHBondContact O-N 2.94Å; D14-N18 WeakPolarHBondContact O-CB 3.29Å; D14-N18 PolarHBondContact O-N 3.04Å; D14-N18 PolarHBondContact O-ND2 3.03Å
15	Y	89.6	Confident	78.2	Confident	83 Å²	83	79 Å²	79	33%	0.325	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-46.1	174.8	-171.2	-104.5	0	0	0	112	Q11 L12 S13 K17 N18 L19 S48 I52	Q11-Y15 PolarHBondContact O-N 3.12Å; Q11-Y15 VanDerWaalsContact O-N 3.12Å; L12-Y15 PolarHBondContact O-N 3.35Å; S13-Y15 VanDerWaalsContact C-N 3.35Å; Y15-K17 PolarHBondContact O-N 3.2Å; Y15-N18 PolarHBondContact O-N 3.33Å; Y15-L19 HydrophobicContact CD1-CD1 4.01Å; Y15-L19 HydrophobicContact CD1-CG 4.35Å; Y15-L19 HydrophobicContact CE1-CD1 3.62Å; Y15-L19 HydrophobicContact CE1-CD2 4.38Å; Y15-L19 HydrophobicContact CE1-CG 4.06Å; Y15-L19 WeakPolarHBondContact O-CG 3.27Å; Y15-L19 PolarHBondContact O-N 2.89Å; Y15-S48 WeakPolarHBondContact OH-CB 3.38Å; Y15-S48 PolarHBondContact OH-OG 3.23Å; Y15-I52 HydrophobicContact CD1-CD1 3.78Å; Y15-I52 HydrophobicContact CE1-CD1 3.82Å
16	L	89.4	Confident	80.6	Confident	2 Å²	2	75 Å²	75	1%	0.01	42%	0.417	C	S	.	.	H	α-helix	trans	-60.5	-43.8	175.6	-75.5	170	0	0	0	111.9	L12 S13 N18 L19 E20 I52 I63 I67	L12-L16 HydrophobicContact CD1-CG 4.41Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 WeakPolarHBondContact O-CG 3.4Å; L12-L16 PolarHBondContact O-N 3.05Å; S13-L16 PolarHBondContact O-N 2.98Å; L16-N18 VanDerWaalsContact C-N 3.29Å; L16-N18 PolarHBondContact O-N 3.39Å; L16-L19 PolarHBondContact O-N 3.4Å; L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 PolarHBondContact O-N 3.34Å; L16-I52 HydrophobicContact CD2-CD1 3.67Å; L16-I52 HydrophobicContact CG-CD1 4.4Å; L16-I63 HydrophobicContact CD1-CB 4.47Å; L16-I63 HydrophobicContact CD1-CG1 4.16Å; L16-I63 HydrophobicContact CD1-CG2 3.93Å; L16-I67 HydrophobicContact CD2-CD1 4.48Å; L16-I67 HydrophobicContact CD2-CG1 3.89Å
17	K	90.5	Very high	83.1	Confident	124 Å²	124	77 Å²	77	54%	0.539	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-37.6	176.1	-173.1	176.1	-177.9	178.9	0	112.3	S13 D14 Y15 E20 N21	S13-K17 WeakPolarHBondContact O-CB 3.34Å; S13-K17 PolarHBondContact O-N 3.36Å; D14-K17 PolarHBondContact O-N 2.94Å; Y15-K17 PolarHBondContact O-N 3.2Å; K17-E20 PolarHBondContact O-N 2.96Å; K17-N21 WeakPolarHBondContact O-CB 3.46Å; K17-N21 PolarHBondContact O-N 3.2Å; K17-N21 PolarHBondContact O-ND2 3.08Å
18	N	92	Very high	85.4	Confident	96 Å²	96	75.4 Å²	75.4	51%	0.513	40%	0.396	S	S	.	.	H	α-helix	trans	-67.2	-40.2	175.2	-71.9	-21.8	0	0	0	112	D14 Y15 L16 A22	D14-N18 WeakPolarHBondContact O-CB 3.29Å; D14-N18 PolarHBondContact O-N 3.04Å; D14-N18 PolarHBondContact O-ND2 3.03Å; Y15-N18 PolarHBondContact O-N 3.33Å; L16-N18 VanDerWaalsContact C-N 3.29Å; L16-N18 PolarHBondContact O-N 3.39Å; N18-A22 WeakPolarHBondContact O-CB 3.25Å; N18-A22 PolarHBondContact O-N 3.29Å
19	L	92.5	Very high	87.7	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-41.3	173.8	-67.1	-179.9	0	0	0	111.8	Y15 L16 A22 C23 I45 I52 I70	Y15-L19 HydrophobicContact CD1-CD1 4.01Å; Y15-L19 HydrophobicContact CD1-CG 4.35Å; Y15-L19 HydrophobicContact CE1-CD1 3.62Å; Y15-L19 HydrophobicContact CE1-CD2 4.38Å; Y15-L19 HydrophobicContact CE1-CG 4.06Å; Y15-L19 WeakPolarHBondContact O-CG 3.27Å; Y15-L19 PolarHBondContact O-N 2.89Å; L16-L19 PolarHBondContact O-N 3.4Å; L19-A22 PolarHBondContact O-N 3.29Å; L19-C23 PolarHBondContact O-N 2.99Å; L19-I45 HydrophobicContact CB-CG2 4.42Å; L19-I45 HydrophobicContact CD2-CG1 4.33Å; L19-I45 HydrophobicContact CD2-CG2 4.17Å; L19-I52 HydrophobicContact CD1-CD1 3.97Å; L19-I70 HydrophobicContact CB-CD1 4.05Å
20	E	93.4	Very high	89.6	Confident	53 Å²	53	72 Å²	72	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-60.1	-54.6	175.7	-171.3	174.4	-166.7	0	0	110.9	L16 K17 A22 C23 E24 Y69 I70	L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 PolarHBondContact O-N 3.34Å; K17-E20 PolarHBondContact O-N 2.96Å; E20-A22 PolarHBondContact O-N 3.3Å; E20-C23 PolarHBondContact O-N 3.46Å; E20-C23 VanDerWaalsContact O-N 3.08Å; E20-C23 PolarHBondContact O-SG 3.08Å; E20-E24 WeakPolarHBondContact O-CG 3.44Å; E20-E24 PolarHBondContact O-N 2.74Å; E20-Y69 HydrophobicContact CG-CD1 4.38Å; E20-Y69 HydrophobicContact CG-CE1 3.97Å; E20-I70 HydrophobicContact CB-CD1 4.29Å; E20-I70 HydrophobicContact CB-CG1 4.32Å
21	N	93	Very high	91.1	Very high	74 Å²	74	70.5 Å²	70.5	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-54.9	-40.3	176.2	-70.8	-24.9	0	0	0	112.4	K17 E24 T25	K17-N21 WeakPolarHBondContact O-CB 3.46Å; K17-N21 PolarHBondContact O-N 3.2Å; K17-N21 PolarHBondContact O-ND2 3.08Å; N21-E24 PolarHBondContact O-N 2.89Å; N21-T25 PolarHBondContact O-N 3.31Å; N21-T25 PolarHBondContact O-OG1 2.67Å
22	A	91.2	Very high	91.8	Very high	24 Å²	24	66.5 Å²	66.5	20%	0.198	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-35.4	-179.3	0	0	0	0	0	112.6	N18 L19 E20 R41 I45	N18-A22 WeakPolarHBondContact O-CB 3.25Å; N18-A22 PolarHBondContact O-N 3.29Å; L19-A22 PolarHBondContact O-N 3.29Å; E20-A22 PolarHBondContact O-N 3.3Å; A22-R41 PolarHBondContact O-NH1 3.28Å; A22-R41 PolarHBondContact O-NH2 3.06Å; A22-I45 HydrophobicContact CB-CD1 3.7Å; A22-I45 HydrophobicContact CB-CG1 4.42Å
23	C	93.1	Very high	92.4	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-82.6	-22.7	176.3	78.4	0	0	0	0	112.9	L19 E20 I70 R73 V74 N77	L19-C23 PolarHBondContact O-N 2.99Å; E20-C23 PolarHBondContact O-N 3.46Å; E20-C23 VanDerWaalsContact O-N 3.08Å; E20-C23 PolarHBondContact O-SG 3.08Å; C23-I70 HydrophobicContact CB-CG2 4.45Å; C23-R73 HydrophobicContact CB-CB 4.48Å; C23-R73 HydrophobicContact CB-CG 4.11Å; C23-R73 WeakPolarHBondContact O-CG 3.49Å; C23-V74 HydrophobicContact CB-CG2 3.83Å; C23-N77 PolarHBondContact O-ND2 2.92Å
24	E	93.6	Very high	93	Very high	58 Å²	58	66.7 Å²	66.7	27%	0.271	34%	0.336	S	S	.	.	H	α-helix	trans	-77.9	-22.1	176.9	-72.8	-169.3	160.2	0	0	114	E20 N21 P26 Y69	E20-E24 WeakPolarHBondContact O-CG 3.44Å; E20-E24 PolarHBondContact O-N 2.74Å; N21-E24 PolarHBondContact O-N 2.89Å; E24-P26 WeakPolarHBondContact O-CD 3.36Å; E24-Y69 PolarHBondContact OE1-OH 3.26Å
25	T	92.6	Very high	93.5	Very high	97 Å²	97	62.7 Å²	62.7	60%	0.595	31%	0.314	S	S	*	.	S	Bend	trans	-121.6	68	179.7	53.1	0	0	0	0	111.2	N21 R41	N21-T25 PolarHBondContact O-N 3.31Å; N21-T25 PolarHBondContact O-OG1 2.67Å; T25-R41 PolarHBondContact O-NH2 3.14Å
26	P	94.1	Very high	93.8	Very high	31 Å²	31	62.6 Å²	62.6	20%	0.201	32%	0.316	C	S	.	.			trans	-64.3	140.4	172.9	29.1	-34.9	0	0	0	111.5	E24 F28 E38	E24-P26 WeakPolarHBondContact O-CD 3.36Å; P26-F28 HydrophobicContact CB-CE1 4.1Å; P26-F28 HydrophobicContact CB-CE2 3.99Å; P26-F28 HydrophobicContact CB-CZ 3.73Å; P26-F28 HydrophobicContact CG-CD2 4.26Å; P26-F28 HydrophobicContact CG-CE1 4.4Å; P26-F28 HydrophobicContact CG-CE2 3.47Å; P26-F28 VanDerWaalsContact CG-CE2 3.47Å; P26-F28 HydrophobicContact CG-CZ 3.55Å; P26-F28 PolarHBondContact O-N 3.21Å; P26-E38 WeakPolarHBondContact CA-OE1 3.46Å
27	N	93.7	Very high	94.3	Very high	106 Å²	106	67 Å²	67	57%	0.567	34%	0.34	S	S	*	.			trans	-93.7	92.5	175.7	-176.8	17	0	0	0	110.9	G29 E38	N27-G29 VanDerWaalsContact C-N 3.35Å; N27-G29 PolarHBondContact O-N 3.44Å; N27-G29 VanDerWaalsContact O-N 3.08Å; N27-E38 PolarHBondContact N-OE1 3.33Å; N27-E38 PolarHBondContact N-OE2 3.06Å; N27-E38 WeakPolarHBondContact O-CG 3.41Å
28	F	94.4	Very high	94.6	Very high	89 Å²	89	61.5 Å²	61.5	39%	0.39	32%	0.316	S	S	.	.			trans	-81.9	80.3	174	-59.2	-57.2	0	0	0	110.9	P26 C80 L81 L84	P26-F28 HydrophobicContact CB-CE1 4.1Å; P26-F28 HydrophobicContact CB-CE2 3.99Å; P26-F28 HydrophobicContact CB-CZ 3.73Å; P26-F28 HydrophobicContact CG-CD2 4.26Å; P26-F28 HydrophobicContact CG-CE1 4.4Å; P26-F28 HydrophobicContact CG-CE2 3.47Å; P26-F28 VanDerWaalsContact CG-CE2 3.47Å; P26-F28 HydrophobicContact CG-CZ 3.55Å; P26-F28 PolarHBondContact O-N 3.21Å; F28-C80 HydrophobicContact CE1-CB 3.72Å; F28-C80 HydrophobicContact CZ-CB 3.73Å; F28-L81 HydrophobicContact CD1-CD2 3.71Å; F28-L81 HydrophobicContact CD1-CG 4.38Å; F28-L81 HydrophobicContact CE1-CD2 3.85Å; F28-L81 HydrophobicContact CE1-CG 4.02Å; F28-L84 HydrophobicContact CB-CD1 3.9Å; F28-L84 HydrophobicContact CD1-CD1 3.66Å; F28-L84 HydrophobicContact CE1-CD1 4.43Å; F28-L84 HydrophobicContact CG-CD1 3.94Å
29	G	93.9	Very high	94.9	Very high	20 Å²	20	58.3 Å²	58.3	21%	0.206	30%	0.299	C	S	.	.			trans	-66.2	175.8	171.4	0	0	0	0	0	112.9	N27 S34 L35	N27-G29 VanDerWaalsContact C-N 3.35Å; N27-G29 PolarHBondContact O-N 3.44Å; N27-G29 VanDerWaalsContact O-N 3.08Å; G29-S34 VanDerWaalsContact C-OG 3.31Å; G29-S34 VanDerWaalsContact CA-OG 3.28Å; G29-S34 WeakPolarHBondContact CA-OG 3.36Å; G29-L35 VanDerWaalsContact O-CD2 3.3Å; G29-L35 WeakPolarHBondContact O-CD2 3.36Å
30	Y	94.5	Very high	95.1	Very high	205 Å²	205	61.4 Å²	61.4	80%	0.804	32%	0.318	S	S	*	.	S	Bend	trans	-110.4	-1.7	-175.2	57.8	-97.5	0	0	0	114.2	S34 T88	Y30-S34 PolarHBondContact N-OG 3.36Å; Y30-T88 WeakPolarHBondContact O-CG2 3.3Å
31	T	95.9	Very high	95.2	Very high	50 Å²	50	62.5 Å²	62.5	31%	0.307	32%	0.32	S	S	.	.	S	Bend	trans	-105.6	153.7	174	66.1	0	0	0	0	110.9	Q33 S34 L35 E91	T31-Q33 VanDerWaalsContact C-N 3.3Å; T31-Q33 PolarHBondContact O-N 3.08Å; T31-S34 PolarHBondContact N-OG 3.35Å; T31-S34 VanDerWaalsContact N-OG 3.16Å; T31-S34 PolarHBondContact O-N 3.35Å; T31-S34 VanDerWaalsContact O-N 3.12Å; T31-S34 PolarHBondContact O-OG 3.45Å; T31-S34 WeakPolarHBondContact OG1-CB 3.29Å; T31-S34 PolarHBondContact OG1-N 3.48Å; T31-S34 PolarHBondContact OG1-OG 3.22Å; T31-L35 PolarHBondContact O-N 3.14Å; T31-E91 VanDerWaalsContact CA-OE1 3.29Å; T31-E91 WeakPolarHBondContact CA-OE1 3.4Å
32	H	95.7	Very high	95.4	Very high	46 Å²	46	59 Å²	59	21%	0.213	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-43.9	180	-164.9	63.4	0	0	0	112.2	S34 L35 E36 T88 S89 E91	H32-S34 VanDerWaalsContact C-N 3.33Å; H32-S34 PolarHBondContact O-N 2.85Å; H32-L35 PolarHBondContact O-N 3.17Å; H32-E36 PolarHBondContact O-N 3.12Å; H32-E36 VanDerWaalsContact O-N 3.08Å; H32-T88 WeakPolarHBondContact CA-OG1 3.45Å; H32-T88 PolarHBondContact ND1-OG1 3.02Å; H32-S89 PolarHBondContact ND1-N 2.84Å; H32-E91 PolarHBondContact N-OE1 3.28Å; H32-E91 PolarHBondContact N-OE2 3.2Å
33	Q	96	Very high	95.7	Very high	118 Å²	118	62.5 Å²	62.5	55%	0.551	31%	0.314	S	S	*	.	H	α-helix	trans	-59.7	-40.7	177	-172	61.4	56	0	0	112.7	T31 L35 E36 D37	T31-Q33 VanDerWaalsContact C-N 3.3Å; T31-Q33 PolarHBondContact O-N 3.08Å; Q33-L35 VanDerWaalsContact C-N 3.27Å; Q33-L35 PolarHBondContact O-N 2.82Å; Q33-E36 PolarHBondContact O-N 2.96Å; Q33-D37 PolarHBondContact NE2-OD1 3.27Å; Q33-D37 VanDerWaalsContact O-CG 3.24Å; Q33-D37 PolarHBondContact O-N 2.93Å
34	S	97.2	Very high	95.9	Very high	26 Å²	26	66.6 Å²	66.6	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-33.9	179.9	68.3	0	0	0	0	112.9	G29 Y30 T31 H32 E38	G29-S34 VanDerWaalsContact C-OG 3.31Å; G29-S34 VanDerWaalsContact CA-OG 3.28Å; G29-S34 WeakPolarHBondContact CA-OG 3.36Å; Y30-S34 PolarHBondContact N-OG 3.36Å; T31-S34 PolarHBondContact N-OG 3.35Å; T31-S34 VanDerWaalsContact N-OG 3.16Å; T31-S34 PolarHBondContact O-N 3.35Å; T31-S34 VanDerWaalsContact O-N 3.12Å; T31-S34 PolarHBondContact O-OG 3.45Å; T31-S34 WeakPolarHBondContact OG1-CB 3.29Å; T31-S34 PolarHBondContact OG1-N 3.48Å; T31-S34 PolarHBondContact OG1-OG 3.22Å; H32-S34 VanDerWaalsContact C-N 3.33Å; H32-S34 PolarHBondContact O-N 2.85Å; S34-E38 WeakPolarHBondContact O-CB 3.19Å; S34-E38 PolarHBondContact O-N 2.97Å
35	L	97.4	Very high	96	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-75.1	-37	176.5	-60.9	-176.6	0	0	0	111.9	G29 T31 H32 Q33 E38 M39 L81 L84 A85 T88	G29-L35 VanDerWaalsContact O-CD2 3.3Å; G29-L35 WeakPolarHBondContact O-CD2 3.36Å; T31-L35 PolarHBondContact O-N 3.14Å; H32-L35 PolarHBondContact O-N 3.17Å; Q33-L35 VanDerWaalsContact C-N 3.27Å; Q33-L35 PolarHBondContact O-N 2.82Å; L35-E38 PolarHBondContact O-N 3.31Å; L35-M39 WeakPolarHBondContact O-CB 3.45Å; L35-M39 PolarHBondContact O-N 3.35Å; L35-L81 HydrophobicContact CB-CD2 4.41Å; L35-L81 HydrophobicContact CD2-CD2 3.91Å; L35-L84 HydrophobicContact CD1-CB 3.57Å; L35-L84 HydrophobicContact CD2-CB 4.4Å; L35-L84 HydrophobicContact CD2-CD1 4.3Å; L35-A85 HydrophobicContact CD1-CB 4.4Å; L35-T88 HydrophobicContact CD1-CG2 3.82Å; L35-T88 WeakPolarHBondContact CD1-OG1 3.3Å
36	E	97	Very high	96.1	Very high	80 Å²	80	62.7 Å²	62.7	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-43.8	174	-74	-63	134.5	0	0	111.5	H32 Q33 E38 M39 V40	H32-E36 PolarHBondContact O-N 3.12Å; H32-E36 VanDerWaalsContact O-N 3.08Å; Q33-E36 PolarHBondContact O-N 2.96Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 3.3Å; E36-M39 WeakPolarHBondContact O-CB 3.23Å; E36-M39 PolarHBondContact O-N 2.89Å; E36-M39 VanDerWaalsContact O-N 3.15Å; E36-V40 WeakPolarHBondContact O-CG2 3.36Å; E36-V40 PolarHBondContact O-N 3.03Å
37	D	97.9	Very high	96.3	Very high	96 Å²	96	63.2 Å²	63.2	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-43.1	176.1	-67.4	-15.7	0	0	0	111.1	Q33 V40 R41	Q33-D37 PolarHBondContact NE2-OD1 3.27Å; Q33-D37 VanDerWaalsContact O-CG 3.24Å; Q33-D37 PolarHBondContact O-N 2.93Å; D37-V40 PolarHBondContact O-N 3.25Å; D37-R41 PolarHBondContact O-N 3.14Å
38	E	97.7	Very high	96.3	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-37.5	175.1	178	58.6	-157.4	0	0	112.1	P26 N27 S34 L35 E36 R41 Q42 L81	P26-E38 WeakPolarHBondContact CA-OE1 3.46Å; N27-E38 PolarHBondContact N-OE1 3.33Å; N27-E38 PolarHBondContact N-OE2 3.06Å; N27-E38 WeakPolarHBondContact O-CG 3.41Å; S34-E38 WeakPolarHBondContact O-CB 3.19Å; S34-E38 PolarHBondContact O-N 2.97Å; L35-E38 PolarHBondContact O-N 3.31Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 3.3Å; E38-R41 VanDerWaalsContact CD-NH2 3.3Å; E38-R41 WeakPolarHBondContact O-CB 3.23Å; E38-R41 PolarHBondContact O-N 2.88Å; E38-R41 IonicContact OE1-CZ 3.96Å; E38-R41 IonicContact OE1-NE 3.16Å; E38-R41 PolarHBondContact OE1-NE 3.48Å; E38-R41 IonicContact OE1-NH2 3.4Å; E38-R41 PolarHBondContact OE1-NH2 3.17Å; E38-R41 IonicContact OE2-CZ 3.89Å; E38-R41 IonicContact OE2-NE 2.77Å; E38-R41 PolarHBondContact OE2-NE 2.83Å; E38-R41 IonicContact OE2-NH2 2.97Å; E38-R41 PolarHBondContact OE2-NH2 2.79Å; E38-R41 VanDerWaalsContact OE2-NH2 3.14Å; E38-Q42 WeakPolarHBondContact O-CG 3.36Å; E38-Q42 PolarHBondContact O-N 2.91Å; E38-Q42 PolarHBondContact OE1-NE2 3.46Å; E38-L81 HydrophobicContact CB-CD1 4.45Å; E38-L81 HydrophobicContact CB-CD2 3.99Å; E38-L81 HydrophobicContact CG-CD1 3.85Å; E38-L81 HydrophobicContact CG-CD2 3.59Å; E38-L81 HydrophobicContact CG-CG 4.3Å
39	M	97.4	Very high	96.3	Very high	28 Å²	28	55 Å²	55	14%	0.138	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-45.1	174.9	179.6	64.3	72	0	0	111.3	L35 E36 R41 Q42 Q43 K78 L81	L35-M39 WeakPolarHBondContact O-CB 3.45Å; L35-M39 PolarHBondContact O-N 3.35Å; E36-M39 WeakPolarHBondContact O-CB 3.23Å; E36-M39 PolarHBondContact O-N 2.89Å; E36-M39 VanDerWaalsContact O-N 3.15Å; M39-R41 VanDerWaalsContact C-N 3.28Å; M39-R41 PolarHBondContact O-N 3.14Å; M39-Q42 PolarHBondContact O-N 3.35Å; M39-Q43 VanDerWaalsContact O-CG 3.31Å; M39-Q43 WeakPolarHBondContact O-CG 3.45Å; M39-Q43 PolarHBondContact O-N 3.44Å; M39-K78 HydrophobicContact CE-CB 4.41Å; M39-K78 HydrophobicContact SD-CB 4.24Å; M39-K78 HydrophobicContact SD-CG 3.83Å; M39-L81 HydrophobicContact CB-CD1 4.13Å; M39-L81 HydrophobicContact CE-CB 3.55Å; M39-L81 HydrophobicContact CE-CD1 4.04Å; M39-L81 HydrophobicContact CE-CG 4.46Å; M39-L81 HydrophobicContact SD-CD1 4.32Å
40	V	97.5	Very high	96.3	Very high	79 Å²	79	59.9 Å²	59.9	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-39.6	174.8	172.4	0	0	0	0	110.8	E36 D37 Q43 T44	E36-V40 WeakPolarHBondContact O-CG2 3.36Å; E36-V40 PolarHBondContact O-N 3.03Å; D37-V40 PolarHBondContact O-N 3.25Å; V40-Q43 PolarHBondContact O-N 3.33Å; V40-T44 PolarHBondContact O-N 3.35Å; V40-T44 PolarHBondContact O-OG1 3.28Å
41	R	96.3	Very high	96.2	Very high	75 Å²	75	57.9 Å²	57.9	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-47.2	174.9	-165.2	-179.3	71.5	86.5	-4.5	111.7	A22 T25 D37 E38 M39 Q43 T44 I45	A22-R41 PolarHBondContact O-NH1 3.28Å; A22-R41 PolarHBondContact O-NH2 3.06Å; T25-R41 PolarHBondContact O-NH2 3.14Å; D37-R41 PolarHBondContact O-N 3.14Å; E38-R41 VanDerWaalsContact CD-NH2 3.3Å; E38-R41 WeakPolarHBondContact O-CB 3.23Å; E38-R41 PolarHBondContact O-N 2.88Å; E38-R41 IonicContact OE1-CZ 3.96Å; E38-R41 IonicContact OE1-NE 3.16Å; E38-R41 PolarHBondContact OE1-NE 3.48Å; E38-R41 IonicContact OE1-NH2 3.4Å; E38-R41 PolarHBondContact OE1-NH2 3.17Å; E38-R41 IonicContact OE2-CZ 3.89Å; E38-R41 IonicContact OE2-NE 2.77Å; E38-R41 PolarHBondContact OE2-NE 2.83Å; E38-R41 IonicContact OE2-NH2 2.97Å; E38-R41 PolarHBondContact OE2-NH2 2.79Å; E38-R41 VanDerWaalsContact OE2-NH2 3.14Å; M39-R41 VanDerWaalsContact C-N 3.28Å; M39-R41 PolarHBondContact O-N 3.14Å; R41-Q43 PolarHBondContact O-N 3.39Å; R41-T44 WeakPolarHBondContact O-CB 3.38Å; R41-T44 PolarHBondContact O-N 2.93Å; R41-I45 WeakPolarHBondContact O-CG1 3.37Å; R41-I45 PolarHBondContact O-N 3.29Å; R41-I45 VanDerWaalsContact O-N 3.11Å
42	Q	97.2	Very high	96	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-39.9	176.9	-66.4	-61.8	-35.3	0	0	112.3	E38 M39 T44 I45 E46 V74 N77 K78 L81	E38-Q42 WeakPolarHBondContact O-CG 3.36Å; E38-Q42 PolarHBondContact O-N 2.91Å; E38-Q42 PolarHBondContact OE1-NE2 3.46Å; M39-Q42 PolarHBondContact O-N 3.35Å; Q42-T44 VanDerWaalsContact C-N 3.31Å; Q42-T44 PolarHBondContact O-N 2.96Å; Q42-I45 PolarHBondContact O-N 2.79Å; Q42-E46 PolarHBondContact O-N 2.97Å; Q42-V74 HydrophobicContact CB-CG1 4.25Å; Q42-V74 WeakPolarHBondContact O-CG1 3.33Å; Q42-N77 HydrophobicContact CG-CB 4.22Å; Q42-N77 PolarHBondContact NE2-ND2 3.24Å; Q42-N77 PolarHBondContact OE1-ND2 3.34Å; Q42-K78 HydrophobicContact CB-CG 4.05Å; Q42-L81 HydrophobicContact CG-CD1 3.94Å
43	Q	97	Very high	95.8	Very high	99 Å²	99	57.6 Å²	57.6	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-34.8	174.7	-71.7	172.6	2.4	0	0	112.6	M39 V40 R41 E46 G47	M39-Q43 VanDerWaalsContact O-CG 3.31Å; M39-Q43 WeakPolarHBondContact O-CG 3.45Å; M39-Q43 PolarHBondContact O-N 3.44Å; V40-Q43 PolarHBondContact O-N 3.33Å; R41-Q43 PolarHBondContact O-N 3.39Å; Q43-E46 PolarHBondContact O-N 2.93Å; Q43-G47 PolarHBondContact O-N 3.15Å
44	T	96.3	Very high	95.6	Very high	85 Å²	85	58.5 Å²	58.5	52%	0.521	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-40.8	175.4	-57.7	0	0	0	0	111.3	V40 R41 Q42 G47 S48	V40-T44 PolarHBondContact O-N 3.35Å; V40-T44 PolarHBondContact O-OG1 3.28Å; R41-T44 WeakPolarHBondContact O-CB 3.38Å; R41-T44 PolarHBondContact O-N 2.93Å; Q42-T44 VanDerWaalsContact C-N 3.31Å; Q42-T44 PolarHBondContact O-N 2.96Å; T44-G47 PolarHBondContact O-N 3.45Å; T44-S48 WeakPolarHBondContact O-CB 3.39Å; T44-S48 PolarHBondContact O-N 3.47Å; T44-S48 PolarHBondContact O-OG 3.1Å
45	I	96	Very high	95.3	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-48	173.9	-62.2	166.2	0	0	0	109.7	L19 A22 R41 Q42 G47 S48 S49 I70 V74	L19-I45 HydrophobicContact CB-CG2 4.42Å; L19-I45 HydrophobicContact CD2-CG1 4.33Å; L19-I45 HydrophobicContact CD2-CG2 4.17Å; A22-I45 HydrophobicContact CB-CD1 3.7Å; A22-I45 HydrophobicContact CB-CG1 4.42Å; R41-I45 WeakPolarHBondContact O-CG1 3.37Å; R41-I45 PolarHBondContact O-N 3.29Å; R41-I45 VanDerWaalsContact O-N 3.11Å; Q42-I45 PolarHBondContact O-N 2.79Å; I45-G47 PolarHBondContact O-N 3.44Å; I45-S48 PolarHBondContact O-N 3.4Å; I45-S48 VanDerWaalsContact O-N 3.16Å; I45-S49 WeakPolarHBondContact O-CB 3.13Å; I45-S49 PolarHBondContact O-N 2.78Å; I45-S49 PolarHBondContact O-OG 2.94Å; I45-S49 VanDerWaalsContact O-OG 3.14Å; I45-I70 HydrophobicContact CG2-CG2 3.79Å; I45-V74 HydrophobicContact CB-CG2 4.19Å; I45-V74 HydrophobicContact CG2-CG2 3.63Å
46	E	96.2	Very high	94.8	Very high	66 Å²	66	61.7 Å²	61.7	31%	0.308	31%	0.31	S	S	.	.	H	α-helix	trans	-55.4	-47.6	177	-173.5	176.5	-142.1	0	0	112.2	Q42 Q43 S48 S49 K50 V74 K78	Q42-E46 PolarHBondContact O-N 2.97Å; Q43-E46 PolarHBondContact O-N 2.93Å; E46-S48 PolarHBondContact O-N 3.14Å; E46-S49 PolarHBondContact O-N 2.79Å; E46-K50 WeakPolarHBondContact O-CB 3.36Å; E46-K50 PolarHBondContact O-N 3.24Å; E46-V74 HydrophobicContact CB-CG1 3.98Å; E46-K78 IonicContact OE1-NZ 3.91Å; E46-K78 PolarHBondContact OE1-NZ 3.13Å; E46-K78 IonicContact OE2-NZ 3.71Å; E46-K78 PolarHBondContact OE2-NZ 3.23Å
47	G	96.2	Very high	94.3	Very high	41 Å²	41	61.9 Å²	61.9	42%	0.423	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-42.9	177	0	0	0	0	0	112.5	Q43 T44 I45 K50 W51	Q43-G47 PolarHBondContact O-N 3.15Å; T44-G47 PolarHBondContact O-N 3.45Å; I45-G47 PolarHBondContact O-N 3.44Å; G47-K50 PolarHBondContact O-N 3.49Å; G47-W51 WeakPolarHBondContact O-CB 3.46Å; G47-W51 PolarHBondContact O-N 2.94Å
48	S	94.7	Very high	93.5	Very high	21 Å²	21	62.1 Å²	62.1	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-47.3	177.5	-55.7	0	0	0	0	111.4	Y15 T44 I45 E46 K50 W51 I52	Y15-S48 WeakPolarHBondContact OH-CB 3.38Å; Y15-S48 PolarHBondContact OH-OG 3.23Å; T44-S48 WeakPolarHBondContact O-CB 3.39Å; T44-S48 PolarHBondContact O-N 3.47Å; T44-S48 PolarHBondContact O-OG 3.1Å; I45-S48 PolarHBondContact O-N 3.4Å; I45-S48 VanDerWaalsContact O-N 3.16Å; E46-S48 PolarHBondContact O-N 3.14Å; S48-K50 VanDerWaalsContact C-N 3.34Å; S48-K50 PolarHBondContact O-N 2.93Å; S48-W51 PolarHBondContact O-N 2.63Å; S48-I52 WeakPolarHBondContact O-CG1 3.41Å; S48-I52 PolarHBondContact O-N 3.42Å
49	S	93.7	Very high	92.8	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.007	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-42	176.1	-68.2	0	0	0	0	112.4	I45 E46 I52 R53 I67 I70	I45-S49 WeakPolarHBondContact O-CB 3.13Å; I45-S49 PolarHBondContact O-N 2.78Å; I45-S49 PolarHBondContact O-OG 2.94Å; I45-S49 VanDerWaalsContact O-OG 3.14Å; E46-S49 PolarHBondContact O-N 2.79Å; S49-I52 PolarHBondContact O-N 3.38Å; S49-R53 WeakPolarHBondContact O-CB 3.5Å; S49-R53 PolarHBondContact O-N 3.41Å; S49-I67 WeakPolarHBondContact O-CG2 3.48Å; S49-I70 VanDerWaalsContact OG-CG2 3.31Å; S49-I70 WeakPolarHBondContact OG-CG2 3.48Å
50	K	94.2	Very high	92.3	Very high	123 Å²	123	67.3 Å²	67.3	54%	0.535	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-46.6	175.9	-178.3	178.8	174.4	-177.9	0	111.6	E46 G47 S48 I52 R53 E54	E46-K50 WeakPolarHBondContact O-CB 3.36Å; E46-K50 PolarHBondContact O-N 3.24Å; G47-K50 PolarHBondContact O-N 3.49Å; S48-K50 VanDerWaalsContact C-N 3.34Å; S48-K50 PolarHBondContact O-N 2.93Å; K50-I52 PolarHBondContact O-N 3.14Å; K50-R53 WeakPolarHBondContact O-CB 2.94Å; K50-R53 PolarHBondContact O-N 3.39Å; K50-E54 WeakPolarHBondContact CE-OE1 3.46Å; K50-E54 WeakPolarHBondContact O-CG 3.28Å; K50-E54 PolarHBondContact O-N 2.85Å
51	W	93	Very high	91.8	Very high	163 Å²	163	69.3 Å²	69.3	62%	0.617	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-43.3	178.2	175.5	79.9	0	0	0	112.3	G47 S48 E54 S55	G47-W51 WeakPolarHBondContact O-CB 3.46Å; G47-W51 PolarHBondContact O-N 2.94Å; S48-W51 PolarHBondContact O-N 2.63Å; W51-E54 PolarHBondContact O-N 3.14Å; W51-S55 WeakPolarHBondContact O-CB 3.17Å; W51-S55 PolarHBondContact O-N 3.35Å; W51-S55 PolarHBondContact O-OG 2.87Å
52	I	91.6	Very high	91.4	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-44.3	175.8	-58.3	167.8	0	0	0	110.2	L12 Y15 L16 L19 S48 S49 K50 E54 S55 V56 I63 I67	L12-I52 HydrophobicContact CD1-CD1 4.18Å; L12-I52 HydrophobicContact CD1-CG1 4.38Å; L12-I52 HydrophobicContact CD1-CG2 4.08Å; Y15-I52 HydrophobicContact CD1-CD1 3.78Å; Y15-I52 HydrophobicContact CE1-CD1 3.82Å; L16-I52 HydrophobicContact CD2-CD1 3.67Å; L16-I52 HydrophobicContact CG-CD1 4.4Å; L19-I52 HydrophobicContact CD1-CD1 3.97Å; S48-I52 WeakPolarHBondContact O-CG1 3.41Å; S48-I52 PolarHBondContact O-N 3.42Å; S49-I52 PolarHBondContact O-N 3.38Å; K50-I52 PolarHBondContact O-N 3.14Å; I52-E54 PolarHBondContact O-N 3.32Å; I52-S55 PolarHBondContact O-N 3.34Å; I52-V56 HydrophobicContact CG2-CG2 3.74Å; I52-V56 WeakPolarHBondContact O-CB 3.3Å; I52-V56 WeakPolarHBondContact O-CG2 3.46Å; I52-V56 PolarHBondContact O-N 3.48Å; I52-V56 VanDerWaalsContact O-N 3.08Å; I52-I63 HydrophobicContact CG2-CG2 4.23Å; I52-I67 HydrophobicContact CB-CD1 3.81Å; I52-I67 HydrophobicContact CG2-CD1 3.47Å; I52-I67 VanDerWaalsContact CG2-CD1 3.47Å; I52-I67 HydrophobicContact CG2-CG1 4.49Å
53	R	91.6	Very high	91	Very high	89 Å²	89	73.5 Å²	73.5	34%	0.336	39%	0.393	S	S	.	.	H	α-helix	trans	-56.6	-40.6	178.8	-172.2	178.7	-81.8	144	-4.6	112	S49 K50 L64 I67 S68 T71	S49-R53 WeakPolarHBondContact O-CB 3.5Å; S49-R53 PolarHBondContact O-N 3.41Å; K50-R53 WeakPolarHBondContact O-CB 2.94Å; K50-R53 PolarHBondContact O-N 3.39Å; R53-L64 HydrophobicContact CG-CD2 4.11Å; R53-I67 HydrophobicContact CB-CD1 4.4Å; R53-I67 HydrophobicContact CB-CG2 4.15Å; R53-S68 PolarHBondContact NH2-OG 3.41Å; R53-T71 PolarHBondContact NH1-OG1 2.97Å; R53-T71 PolarHBondContact NH2-OG1 2.97Å
54	E	92.1	Very high	90.7	Very high	136 Å²	136	70.6 Å²	70.6	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-75.5	-25	179.1	-69.6	171.8	-179.1	0	0	112.8	K50 W51 I52	K50-E54 WeakPolarHBondContact CE-OE1 3.46Å; K50-E54 WeakPolarHBondContact O-CG 3.28Å; K50-E54 PolarHBondContact O-N 2.85Å; W51-E54 PolarHBondContact O-N 3.14Å; I52-E54 PolarHBondContact O-N 3.32Å
55	S	89.5	Confident	90.5	Very high	71 Å²	71	69.8 Å²	69.8	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-89.7	-11.5	-178	-57.7	0	0	0	0	113.9	W51 I52	W51-S55 WeakPolarHBondContact O-CB 3.17Å; W51-S55 PolarHBondContact O-N 3.35Å; W51-S55 PolarHBondContact O-OG 2.87Å; I52-S55 PolarHBondContact O-N 3.34Å
56	V	88.3	Confident	90.3	Very high	25 Å²	25	73 Å²	73	15%	0.152	39%	0.387	C	S	.	.	S	Bend	trans	-106.5	136.9	-173.1	171.3	0	0	0	0	110.5	I52 N60 I63	I52-V56 HydrophobicContact CG2-CG2 3.74Å; I52-V56 WeakPolarHBondContact O-CB 3.3Å; I52-V56 WeakPolarHBondContact O-CG2 3.46Å; I52-V56 PolarHBondContact O-N 3.48Å; I52-V56 VanDerWaalsContact O-N 3.08Å; V56-N60 HydrophobicContact CG1-CB 3.4Å; V56-N60 WeakPolarHBondContact CG1-ND2 3.17Å; V56-I63 HydrophobicContact CG1-CB 4.45Å; V56-I63 HydrophobicContact CG1-CG2 4.16Å; V56-I63 HydrophobicContact CG2-CG2 4.2Å
57	T	85.3	Confident	90.2	Very high	84 Å²	84	69.8 Å²	69.8	52%	0.515	37%	0.372	S	S	.	.			trans	-69	154.1	177.1	57.5	0	0	0	0	112.2	S59 N60	T57-S59 PolarHBondContact O-N 3.4Å; T57-S59 PolarHBondContact OG1-OG 3.39Å; T57-N60 PolarHBondContact O-N 2.96Å; T57-N60 VanDerWaalsContact O-N 3.08Å; T57-N60 PolarHBondContact OG1-ND2 2.82Å
58	S	81.8	Confident	90.1	Very high	101 Å²	101	70.4 Å²	70.4	71%	0.706	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.7	178.2	53.3	0	0	0	0	114.9	N60 H61	S58-N60 VanDerWaalsContact C-N 3.33Å; S58-H61 PolarHBondContact O-CE1 3.5Å; S58-H61 VanDerWaalsContact O-CE1 3.26Å
59	S	84	Confident	90.2	Very high	80 Å²	80	72.5 Å²	72.5	56%	0.559	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-17.6	175.7	56.7	0	0	0	0	114	T57 H61	T57-S59 PolarHBondContact O-N 3.4Å; T57-S59 PolarHBondContact OG1-OG 3.39Å; S59-H61 VanDerWaalsContact C-N 3.3Å; S59-H61 PolarHBondContact O-N 3.05Å; S59-H61 VanDerWaalsContact O-N 3.08Å
60	N	85.4	Confident	90.3	Very high	64 Å²	64	72.5 Å²	72.5	34%	0.342	38%	0.375	S	S	.	.			trans	-88.2	67.8	-177.9	-65.8	-57.5	0	0	0	111.1	V56 T57 S58 D62 I63 L64	V56-N60 HydrophobicContact CG1-CB 3.4Å; V56-N60 WeakPolarHBondContact CG1-ND2 3.17Å; T57-N60 PolarHBondContact O-N 2.96Å; T57-N60 VanDerWaalsContact O-N 3.08Å; T57-N60 PolarHBondContact OG1-ND2 2.82Å; S58-N60 VanDerWaalsContact C-N 3.33Å; N60-D62 VanDerWaalsContact C-N 3.32Å; N60-D62 PolarHBondContact O-N 3.22Å; N60-I63 HydrophobicContact CB-CB 4.28Å; N60-I63 HydrophobicContact CB-CD1 4.18Å; N60-I63 PolarHBondContact O-N 3.16Å; N60-L64 VanDerWaalsContact O-CG 3.32Å; N60-L64 WeakPolarHBondContact O-CG 3.42Å; N60-L64 PolarHBondContact O-N 3.35Å
61	H	87.5	Confident	90.4	Very high	122 Å²	122	67.6 Å²	67.6	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-57.9	-41.2	-175	-64.5	-58.3	0	0	0	113.3	S58 S59 I63 L64 N65	S58-H61 PolarHBondContact O-CE1 3.5Å; S58-H61 VanDerWaalsContact O-CE1 3.26Å; S59-H61 VanDerWaalsContact C-N 3.3Å; S59-H61 PolarHBondContact O-N 3.05Å; S59-H61 VanDerWaalsContact O-N 3.08Å; H61-I63 PolarHBondContact O-N 3.38Å; H61-L64 PolarHBondContact O-N 3.35Å; H61-N65 WeakPolarHBondContact O-CB 3.47Å; H61-N65 PolarHBondContact O-N 3.19Å; H61-N65 PolarHBondContact O-ND2 2.95Å
62	D	88.1	Confident	90.5	Very high	125 Å²	125	65.9 Å²	65.9	67%	0.668	35%	0.354	S	S	*	.	H	α-helix	trans	-63.7	-44.6	-178	-62.4	-27	0	0	0	112.2	N60 N65 Q66	N60-D62 VanDerWaalsContact C-N 3.32Å; N60-D62 PolarHBondContact O-N 3.22Å; D62-N65 PolarHBondContact O-N 3.42Å; D62-Q66 WeakPolarHBondContact O-CG 3.49Å; D62-Q66 PolarHBondContact O-N 2.61Å
63	I	88.7	Confident	90.8	Very high	38 Å²	38	69.4 Å²	69.4	20%	0.195	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-44.8	176.4	-65.4	171.9	0	0	0	110	L12 L16 I52 V56 N60 H61 N65 Q66 I67	L12-I63 HydrophobicContact CD2-CD1 3.95Å; L16-I63 HydrophobicContact CD1-CB 4.47Å; L16-I63 HydrophobicContact CD1-CG1 4.16Å; L16-I63 HydrophobicContact CD1-CG2 3.93Å; I52-I63 HydrophobicContact CG2-CG2 4.23Å; V56-I63 HydrophobicContact CG1-CB 4.45Å; V56-I63 HydrophobicContact CG1-CG2 4.16Å; V56-I63 HydrophobicContact CG2-CG2 4.2Å; N60-I63 HydrophobicContact CB-CB 4.28Å; N60-I63 HydrophobicContact CB-CD1 4.18Å; N60-I63 PolarHBondContact O-N 3.16Å; H61-I63 PolarHBondContact O-N 3.38Å; I63-N65 VanDerWaalsContact C-N 3.3Å; I63-N65 PolarHBondContact O-N 3.31Å; I63-Q66 PolarHBondContact O-N 3Å; I63-I67 HydrophobicContact CG2-CD1 3.61Å; I63-I67 HydrophobicContact CG2-CG1 4.29Å; I63-I67 WeakPolarHBondContact O-CB 3.2Å; I63-I67 VanDerWaalsContact O-CG1 3.23Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.13Å
64	L	90.6	Very high	91.1	Very high	37 Å²	37	65.2 Å²	65.2	19%	0.194	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-34.6	179.4	-68.5	173	0	0	0	112.4	R53 N60 H61 S68	R53-L64 HydrophobicContact CG-CD2 4.11Å; N60-L64 VanDerWaalsContact O-CG 3.32Å; N60-L64 WeakPolarHBondContact O-CG 3.42Å; N60-L64 PolarHBondContact O-N 3.35Å; H61-L64 PolarHBondContact O-N 3.35Å; L64-S68 WeakPolarHBondContact O-CB 3.41Å; L64-S68 PolarHBondContact O-N 3.36Å; L64-S68 PolarHBondContact O-OG 3.35Å
65	N	92	Very high	91.3	Very high	69 Å²	69	63.5 Å²	63.5	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-47.4	174.7	-71.7	-22.1	0	0	0	111.1	H61 D62 I63 I67 S68 Y69	H61-N65 WeakPolarHBondContact O-CB 3.47Å; H61-N65 PolarHBondContact O-N 3.19Å; H61-N65 PolarHBondContact O-ND2 2.95Å; D62-N65 PolarHBondContact O-N 3.42Å; I63-N65 VanDerWaalsContact C-N 3.3Å; I63-N65 PolarHBondContact O-N 3.31Å; N65-I67 PolarHBondContact O-N 3.23Å; N65-S68 WeakPolarHBondContact O-CB 3.49Å; N65-S68 PolarHBondContact O-N 3.2Å; N65-S68 VanDerWaalsContact O-N 3.15Å; N65-Y69 PolarHBondContact O-N 3.02Å
66	Q	92.8	Very high	91.7	Very high	74 Å²	74	63.5 Å²	63.5	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-46.1	175.2	-73.9	177.9	23.6	0	0	111.9	D62 I63 S68 Y69 I70	D62-Q66 WeakPolarHBondContact O-CG 3.49Å; D62-Q66 PolarHBondContact O-N 2.61Å; I63-Q66 PolarHBondContact O-N 3Å; Q66-S68 VanDerWaalsContact C-N 3.26Å; Q66-S68 PolarHBondContact O-N 3.17Å; Q66-Y69 WeakPolarHBondContact O-CB 3.48Å; Q66-Y69 PolarHBondContact O-N 3.32Å; Q66-I70 WeakPolarHBondContact O-CG1 3.15Å; Q66-I70 PolarHBondContact O-N 2.82Å
67	I	93.7	Very high	92.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-36.8	177.6	-66.4	167.5	0	0	0	111.1	L16 S49 I52 R53 I63 N65 I70 T71	L16-I67 HydrophobicContact CD2-CD1 4.48Å; L16-I67 HydrophobicContact CD2-CG1 3.89Å; S49-I67 WeakPolarHBondContact O-CG2 3.48Å; I52-I67 HydrophobicContact CB-CD1 3.81Å; I52-I67 HydrophobicContact CG2-CD1 3.47Å; I52-I67 VanDerWaalsContact CG2-CD1 3.47Å; I52-I67 HydrophobicContact CG2-CG1 4.49Å; R53-I67 HydrophobicContact CB-CD1 4.4Å; R53-I67 HydrophobicContact CB-CG2 4.15Å; I63-I67 HydrophobicContact CG2-CD1 3.61Å; I63-I67 HydrophobicContact CG2-CG1 4.29Å; I63-I67 WeakPolarHBondContact O-CB 3.2Å; I63-I67 VanDerWaalsContact O-CG1 3.23Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.13Å; N65-I67 PolarHBondContact O-N 3.23Å; I67-I70 PolarHBondContact O-N 3.27Å; I67-T71 WeakPolarHBondContact O-CB 3.47Å; I67-T71 PolarHBondContact O-N 3.28Å; I67-T71 PolarHBondContact O-OG1 3.29Å
68	S	94.4	Very high	92.8	Very high	53 Å²	53	61 Å²	61	37%	0.371	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-42.7	176.1	-58.9	0	0	0	0	111.8	R53 L64 N65 Q66 T71 E72	R53-S68 PolarHBondContact NH2-OG 3.41Å; L64-S68 WeakPolarHBondContact O-CB 3.41Å; L64-S68 PolarHBondContact O-N 3.36Å; L64-S68 PolarHBondContact O-OG 3.35Å; N65-S68 WeakPolarHBondContact O-CB 3.49Å; N65-S68 PolarHBondContact O-N 3.2Å; N65-S68 VanDerWaalsContact O-N 3.15Å; Q66-S68 VanDerWaalsContact C-N 3.26Å; Q66-S68 PolarHBondContact O-N 3.17Å; S68-T71 PolarHBondContact O-N 2.87Å; S68-E72 PolarHBondContact O-N 3.37Å
69	Y	95.1	Very high	93.5	Very high	65 Å²	65	61.3 Å²	61.3	26%	0.255	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-49.1	172.1	171.7	-107.1	0	0	0	112.2	E20 E24 N65 Q66 T71 E72 R73	E20-Y69 HydrophobicContact CG-CD1 4.38Å; E20-Y69 HydrophobicContact CG-CE1 3.97Å; E24-Y69 PolarHBondContact OE1-OH 3.26Å; N65-Y69 PolarHBondContact O-N 3.02Å; Q66-Y69 WeakPolarHBondContact O-CB 3.48Å; Q66-Y69 PolarHBondContact O-N 3.32Å; Y69-T71 VanDerWaalsContact C-N 3.32Å; Y69-T71 PolarHBondContact O-N 2.92Å; Y69-E72 PolarHBondContact O-N 2.82Å; Y69-R73 PolarHBondContact O-N 3.43Å; Y69-R73 PolarHBondContact OH-NH2 3.29Å
70	I	96	Very high	94.2	Very high	1 Å²	1	60 Å²	60	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-44.4	177.1	-65.7	165.3	0	0	0	110.6	L19 E20 C23 I45 S49 Q66 I67 E72 R73 V74	L19-I70 HydrophobicContact CB-CD1 4.05Å; E20-I70 HydrophobicContact CB-CD1 4.29Å; E20-I70 HydrophobicContact CB-CG1 4.32Å; C23-I70 HydrophobicContact CB-CG2 4.45Å; I45-I70 HydrophobicContact CG2-CG2 3.79Å; S49-I70 VanDerWaalsContact OG-CG2 3.31Å; S49-I70 WeakPolarHBondContact OG-CG2 3.48Å; Q66-I70 WeakPolarHBondContact O-CG1 3.15Å; Q66-I70 PolarHBondContact O-N 2.82Å; I67-I70 PolarHBondContact O-N 3.27Å; I70-E72 PolarHBondContact O-N 3.32Å; I70-R73 PolarHBondContact O-N 2.92Å; I70-V74 HydrophobicContact CG2-CG2 4.1Å; I70-V74 WeakPolarHBondContact O-CB 3.28Å; I70-V74 WeakPolarHBondContact O-CG2 2.83Å; I70-V74 PolarHBondContact O-N 3.16Å
71	T	96.3	Very high	94.8	Very high	21 Å²	21	57 Å²	57	13%	0.129	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-49.1	179.6	-53.4	0	0	0	0	111	R53 I67 S68 Y69 R73 V74 E75	R53-T71 PolarHBondContact NH1-OG1 2.97Å; R53-T71 PolarHBondContact NH2-OG1 2.97Å; I67-T71 WeakPolarHBondContact O-CB 3.47Å; I67-T71 PolarHBondContact O-N 3.28Å; I67-T71 PolarHBondContact O-OG1 3.29Å; S68-T71 PolarHBondContact O-N 2.87Å; Y69-T71 VanDerWaalsContact C-N 3.32Å; Y69-T71 PolarHBondContact O-N 2.92Å; T71-R73 VanDerWaalsContact C-N 3.32Å; T71-R73 PolarHBondContact O-N 2.84Å; T71-V74 PolarHBondContact O-N 2.92Å; T71-E75 WeakPolarHBondContact O-CG 3.14Å; T71-E75 PolarHBondContact O-N 3.05Å
72	E	96.4	Very high	95.2	Very high	126 Å²	126	57.9 Å²	57.9	59%	0.589	29%	0.293	S	S	*	.	H	α-helix	trans	-62.2	-39.6	179.7	-178.2	176.3	-172.8	0	0	112.1	S68 Y69 I70 T76	S68-E72 PolarHBondContact O-N 3.37Å; Y69-E72 PolarHBondContact O-N 2.82Å; I70-E72 PolarHBondContact O-N 3.32Å; E72-T76 PolarHBondContact O-N 3.26Å; E72-T76 VanDerWaalsContact O-N 3.07Å; E72-T76 PolarHBondContact O-OG1 3.12Å
73	R	97	Very high	95.7	Very high	76 Å²	76	56.9 Å²	56.9	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-66.9	-45	176.3	-175.6	57.1	57.8	74.9	13	111.9	C23 Y69 I70 T71 E75 T76 N77	C23-R73 HydrophobicContact CB-CB 4.48Å; C23-R73 HydrophobicContact CB-CG 4.11Å; C23-R73 WeakPolarHBondContact O-CG 3.49Å; Y69-R73 PolarHBondContact O-N 3.43Å; Y69-R73 PolarHBondContact OH-NH2 3.29Å; I70-R73 PolarHBondContact O-N 2.92Å; T71-R73 VanDerWaalsContact C-N 3.32Å; T71-R73 PolarHBondContact O-N 2.84Å; R73-E75 VanDerWaalsContact C-N 3.34Å; R73-E75 PolarHBondContact O-N 2.96Å; R73-T76 WeakPolarHBondContact O-CB 3.3Å; R73-T76 PolarHBondContact O-N 3.11Å; R73-N77 VanDerWaalsContact O-CG 3.22Å; R73-N77 PolarHBondContact O-N 2.92Å; R73-N77 PolarHBondContact O-OD1 3.33Å
74	V	97.8	Very high	96.1	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-42.5	177.5	170.2	0	0	0	0	111	C23 Q42 I45 E46 I70 T71 T76 N77 K78	C23-V74 HydrophobicContact CB-CG2 3.83Å; Q42-V74 HydrophobicContact CB-CG1 4.25Å; Q42-V74 WeakPolarHBondContact O-CG1 3.33Å; I45-V74 HydrophobicContact CB-CG2 4.19Å; I45-V74 HydrophobicContact CG2-CG2 3.63Å; E46-V74 HydrophobicContact CB-CG1 3.98Å; I70-V74 HydrophobicContact CG2-CG2 4.1Å; I70-V74 WeakPolarHBondContact O-CB 3.28Å; I70-V74 WeakPolarHBondContact O-CG2 2.83Å; I70-V74 PolarHBondContact O-N 3.16Å; T71-V74 PolarHBondContact O-N 2.92Å; V74-T76 VanDerWaalsContact C-N 3.33Å; V74-T76 PolarHBondContact O-N 3.19Å; V74-N77 PolarHBondContact O-N 3.03Å; V74-K78 HydrophobicContact CG1-CD 3.88Å; V74-K78 HydrophobicContact CG1-CG 4.41Å; V74-K78 VanDerWaalsContact O-CG 3.27Å; V74-K78 WeakPolarHBondContact O-CG 3.27Å; V74-K78 PolarHBondContact O-N 3.32Å
75	E	97.5	Very high	96.4	Very high	99 Å²	99	56.6 Å²	56.6	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-57.1	-47.4	173.6	-76	177	-171.3	0	0	111.2	T71 R73 N77 K78 D79	T71-E75 WeakPolarHBondContact O-CG 3.14Å; T71-E75 PolarHBondContact O-N 3.05Å; R73-E75 VanDerWaalsContact C-N 3.34Å; R73-E75 PolarHBondContact O-N 2.96Å; E75-N77 PolarHBondContact O-N 2.85Å; E75-K78 PolarHBondContact O-N 3.08Å; E75-D79 PolarHBondContact O-N 2.98Å
76	T	97.3	Very high	96.5	Very high	71 Å²	71	55.8 Å²	55.8	44%	0.436	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-44.2	177.4	-54.7	0	0	0	0	111.9	E72 R73 V74 K78 D79 C80	E72-T76 PolarHBondContact O-N 3.26Å; E72-T76 VanDerWaalsContact O-N 3.07Å; E72-T76 PolarHBondContact O-OG1 3.12Å; R73-T76 WeakPolarHBondContact O-CB 3.3Å; R73-T76 PolarHBondContact O-N 3.11Å; V74-T76 VanDerWaalsContact C-N 3.33Å; V74-T76 PolarHBondContact O-N 3.19Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 PolarHBondContact O-N 3.04Å; T76-D79 PolarHBondContact O-N 3.37Å; T76-C80 PolarHBondContact O-N 2.89Å; T76-C80 PolarHBondContact O-SG 3.36Å; T76-C80 VanDerWaalsContact O-SG 3.34Å
77	N	98.2	Very high	96.6	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-41.5	177.9	-69.4	-13.9	0	0	0	111.5	C23 Q42 R73 V74 E75 C80 L81	C23-N77 PolarHBondContact O-ND2 2.92Å; Q42-N77 HydrophobicContact CG-CB 4.22Å; Q42-N77 PolarHBondContact NE2-ND2 3.24Å; Q42-N77 PolarHBondContact OE1-ND2 3.34Å; R73-N77 VanDerWaalsContact O-CG 3.22Å; R73-N77 PolarHBondContact O-N 2.92Å; R73-N77 PolarHBondContact O-OD1 3.33Å; V74-N77 PolarHBondContact O-N 3.03Å; E75-N77 PolarHBondContact O-N 2.85Å; N77-C80 WeakPolarHBondContact O-CB 3.36Å; N77-C80 PolarHBondContact O-N 3.31Å; N77-L81 VanDerWaalsContact O-CG 3.29Å; N77-L81 WeakPolarHBondContact O-CG 3.45Å; N77-L81 PolarHBondContact O-N 2.81Å
78	K	97.9	Very high	96.7	Very high	47 Å²	47	56.5 Å²	56.5	20%	0.204	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-41.2	176.7	-71.6	168	62.2	179.9	0	111.7	M39 Q42 E46 V74 E75 T76 C80 L81 H82	M39-K78 HydrophobicContact CE-CB 4.41Å; M39-K78 HydrophobicContact SD-CB 4.24Å; M39-K78 HydrophobicContact SD-CG 3.83Å; Q42-K78 HydrophobicContact CB-CG 4.05Å; E46-K78 IonicContact OE1-NZ 3.91Å; E46-K78 PolarHBondContact OE1-NZ 3.13Å; E46-K78 IonicContact OE2-NZ 3.71Å; E46-K78 PolarHBondContact OE2-NZ 3.23Å; V74-K78 HydrophobicContact CG1-CD 3.88Å; V74-K78 HydrophobicContact CG1-CG 4.41Å; V74-K78 VanDerWaalsContact O-CG 3.27Å; V74-K78 WeakPolarHBondContact O-CG 3.27Å; V74-K78 PolarHBondContact O-N 3.32Å; E75-K78 PolarHBondContact O-N 3.08Å; T76-K78 VanDerWaalsContact C-N 3.32Å; T76-K78 PolarHBondContact O-N 3.04Å; K78-C80 VanDerWaalsContact C-N 3.33Å; K78-C80 PolarHBondContact O-N 3Å; K78-L81 PolarHBondContact O-N 3.24Å; K78-H82 WeakPolarHBondContact O-CB 3.37Å; K78-H82 PolarHBondContact O-N 2.86Å
79	D	97.7	Very high	96.7	Very high	108 Å²	108	56.3 Å²	56.3	58%	0.578	29%	0.294	S	S	*	.	H	α-helix	trans	-61.4	-42.1	174.1	-73.9	-15.4	0	0	0	111.2	E75 T76 H82 Y83	E75-D79 PolarHBondContact O-N 2.98Å; T76-D79 PolarHBondContact O-N 3.37Å; D79-H82 PolarHBondContact O-N 3.27Å; D79-Y83 WeakPolarHBondContact O-CB 3.15Å; D79-Y83 PolarHBondContact O-N 3.38Å
80	C	97.6	Very high	96.6	Very high	52 Å²	52	56.8 Å²	56.8	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-46.4	174.3	-66.9	0	0	0	0	112.4	F28 T76 N77 K78 H82 Y83 L84	F28-C80 HydrophobicContact CE1-CB 3.72Å; F28-C80 HydrophobicContact CZ-CB 3.73Å; T76-C80 PolarHBondContact O-N 2.89Å; T76-C80 PolarHBondContact O-SG 3.36Å; T76-C80 VanDerWaalsContact O-SG 3.34Å; N77-C80 WeakPolarHBondContact O-CB 3.36Å; N77-C80 PolarHBondContact O-N 3.31Å; K78-C80 VanDerWaalsContact C-N 3.33Å; K78-C80 PolarHBondContact O-N 3Å; C80-H82 VanDerWaalsContact C-N 3.35Å; C80-H82 PolarHBondContact O-N 3.25Å; C80-Y83 WeakPolarHBondContact O-CB 3.37Å; C80-Y83 PolarHBondContact O-N 2.96Å; C80-L84 WeakPolarHBondContact O-CG 3.47Å; C80-L84 PolarHBondContact O-N 2.86Å
81	L	98.2	Very high	96.5	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-43.8	178	-69.2	167.1	0	0	0	111.5	F28 L35 E38 M39 Q42 N77 K78 Y83 L84 A85	F28-L81 HydrophobicContact CD1-CD2 3.71Å; F28-L81 HydrophobicContact CD1-CG 4.38Å; F28-L81 HydrophobicContact CE1-CD2 3.85Å; F28-L81 HydrophobicContact CE1-CG 4.02Å; L35-L81 HydrophobicContact CB-CD2 4.41Å; L35-L81 HydrophobicContact CD2-CD2 3.91Å; E38-L81 HydrophobicContact CB-CD1 4.45Å; E38-L81 HydrophobicContact CB-CD2 3.99Å; E38-L81 HydrophobicContact CG-CD1 3.85Å; E38-L81 HydrophobicContact CG-CD2 3.59Å; E38-L81 HydrophobicContact CG-CG 4.3Å; M39-L81 HydrophobicContact CB-CD1 4.13Å; M39-L81 HydrophobicContact CE-CB 3.55Å; M39-L81 HydrophobicContact CE-CD1 4.04Å; M39-L81 HydrophobicContact CE-CG 4.46Å; M39-L81 HydrophobicContact SD-CD1 4.32Å; Q42-L81 HydrophobicContact CG-CD1 3.94Å; N77-L81 VanDerWaalsContact O-CG 3.29Å; N77-L81 WeakPolarHBondContact O-CG 3.45Å; N77-L81 PolarHBondContact O-N 2.81Å; K78-L81 PolarHBondContact O-N 3.24Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 2.81Å; L81-L84 PolarHBondContact O-N 2.93Å; L81-A85 WeakPolarHBondContact O-CB 3.42Å; L81-A85 PolarHBondContact O-N 2.88Å
82	H	96.7	Very high	96.3	Very high	142 Å²	142	64.1 Å²	64.1	66%	0.657	34%	0.336	S	S	*	.	H	α-helix	trans	-62.2	-40.1	176.2	-178.5	-77.1	0	0	0	111.8	K78 D79 C80 A85 G86	K78-H82 WeakPolarHBondContact O-CB 3.37Å; K78-H82 PolarHBondContact O-N 2.86Å; D79-H82 PolarHBondContact O-N 3.27Å; C80-H82 VanDerWaalsContact C-N 3.35Å; C80-H82 PolarHBondContact O-N 3.25Å; H82-A85 PolarHBondContact O-N 2.93Å; H82-G86 PolarHBondContact O-N 3.43Å
83	Y	96.8	Very high	96	Very high	103 Å²	103	62.5 Å²	62.5	40%	0.404	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-48.6	175.8	-173.1	-92.5	0	0	0	112	D79 C80 L81 G86 H151 Y155	D79-Y83 WeakPolarHBondContact O-CB 3.15Å; D79-Y83 PolarHBondContact O-N 3.38Å; C80-Y83 WeakPolarHBondContact O-CB 3.37Å; C80-Y83 PolarHBondContact O-N 2.96Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 2.81Å; Y83-G86 PolarHBondContact O-N 3.38Å; Y83-H151 AromaticContact CE1-CE1 3.8Å; Y83-H151 AromaticContact CE1-NE2 3.78Å; Y83-H151 AromaticContact CZ-CE1 3.95Å; Y83-H151 AromaticContact CZ-NE2 3.45Å; Y83-H151 PolarHBondContact OH-CE1 2.72Å; Y83-H151 PolarHBondContact OH-NE2 3.4Å; Y83-Y155 AromaticContact CE1-CD2 3.98Å; Y83-Y155 HydrophobicContact CE1-CD2 3.98Å; Y83-Y155 HydrophobicContact CE1-CE2 4.16Å
84	L	98.2	Very high	95.8	Very high	55 Å²	55	64.6 Å²	64.6	29%	0.288	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-36	178.2	-67.6	173	0	0	0	112.4	F28 L35 C80 L81 G86 I87 T88	F28-L84 HydrophobicContact CB-CD1 3.9Å; F28-L84 HydrophobicContact CD1-CD1 3.66Å; F28-L84 HydrophobicContact CE1-CD1 4.43Å; F28-L84 HydrophobicContact CG-CD1 3.94Å; L35-L84 HydrophobicContact CD1-CB 3.57Å; L35-L84 HydrophobicContact CD2-CB 4.4Å; L35-L84 HydrophobicContact CD2-CD1 4.3Å; C80-L84 WeakPolarHBondContact O-CG 3.47Å; C80-L84 PolarHBondContact O-N 2.86Å; L81-L84 PolarHBondContact O-N 2.93Å; L84-G86 PolarHBondContact O-N 3.25Å; L84-I87 WeakPolarHBondContact O-CA 3.33Å; L84-I87 WeakPolarHBondContact O-CB 3.38Å; L84-I87 PolarHBondContact O-N 3.3Å; L84-T88 PolarHBondContact O-N 3.05Å; L84-T88 VanDerWaalsContact O-N 3.15Å
85	A	96.2	Very high	95.5	Very high	15 Å²	15	68 Å²	68	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-30	175.2	0	0	0	0	0	112.1	L35 L81 H82 I87 T88 S89	L35-A85 HydrophobicContact CD1-CB 4.4Å; L81-A85 WeakPolarHBondContact O-CB 3.42Å; L81-A85 PolarHBondContact O-N 2.88Å; H82-A85 PolarHBondContact O-N 2.93Å; A85-I87 PolarHBondContact O-N 3.11Å; A85-T88 WeakPolarHBondContact CA-OG1 3.29Å; A85-T88 PolarHBondContact O-N 3.36Å; A85-S89 WeakPolarHBondContact O-CB 3.38Å; A85-S89 PolarHBondContact O-N 3.11Å; A85-S89 PolarHBondContact O-OG 3.24Å
86	G	94.3	Very high	95.3	Very high	51 Å²	51	68.6 Å²	68.6	53%	0.526	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-17.8	171.7	0	0	0	0	0	114.3	H82 Y83 L84	H82-G86 PolarHBondContact O-N 3.43Å; Y83-G86 PolarHBondContact O-N 3.38Å; L84-G86 PolarHBondContact O-N 3.25Å
87	I	95.4	Very high	94.9	Very high	74 Å²	74	68.7 Å²	68.7	38%	0.379	37%	0.37	S	S	.	.	H	α-helix	trans	-93.1	-54.7	172.6	-55.2	173.1	0	0	0	110.1	L84 A85 S89 M90	L84-I87 WeakPolarHBondContact O-CA 3.33Å; L84-I87 WeakPolarHBondContact O-CB 3.38Å; L84-I87 PolarHBondContact O-N 3.3Å; A85-I87 PolarHBondContact O-N 3.11Å; I87-S89 VanDerWaalsContact C-N 3.28Å; I87-S89 PolarHBondContact O-N 3.44Å; I87-M90 HydrophobicContact CG2-CE 4.01Å; I87-M90 VanDerWaalsContact O-CB 3.31Å; I87-M90 WeakPolarHBondContact O-CB 3.44Å; I87-M90 WeakPolarHBondContact O-CE 3.43Å; I87-M90 WeakPolarHBondContact O-CG 3.33Å; I87-M90 PolarHBondContact O-N 2.78Å; I87-M90 VanDerWaalsContact O-N 3.11Å
88	T	96.5	Very high	94.7	Very high	15 Å²	15	71.2 Å²	71.2	9%	0.092	39%	0.391	C	S	.	.	H	α-helix	trans	-69.4	-24.5	-172.4	59.4	0	0	0	0	113.1	Y30 H32 L35 L84 A85 M90 E91	Y30-T88 WeakPolarHBondContact O-CG2 3.3Å; H32-T88 WeakPolarHBondContact CA-OG1 3.45Å; H32-T88 PolarHBondContact ND1-OG1 3.02Å; L35-T88 HydrophobicContact CD1-CG2 3.82Å; L35-T88 WeakPolarHBondContact CD1-OG1 3.3Å; L84-T88 PolarHBondContact O-N 3.05Å; L84-T88 VanDerWaalsContact O-N 3.15Å; A85-T88 WeakPolarHBondContact CA-OG1 3.29Å; A85-T88 PolarHBondContact O-N 3.36Å; T88-M90 PolarHBondContact O-N 3.23Å; T88-E91 VanDerWaalsContact O-CB 3.28Å; T88-E91 WeakPolarHBondContact O-CB 3.42Å; T88-E91 WeakPolarHBondContact O-CG 3.32Å; T88-E91 PolarHBondContact O-N 3.14Å
89	S	93.5	Very high	94.6	Very high	50 Å²	50	70.8 Å²	70.8	35%	0.35	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-15	173.3	71.3	0	0	0	0	113.1	H32 A85 I87 E91	H32-S89 PolarHBondContact ND1-N 2.84Å; A85-S89 WeakPolarHBondContact O-CB 3.38Å; A85-S89 PolarHBondContact O-N 3.11Å; A85-S89 PolarHBondContact O-OG 3.24Å; I87-S89 VanDerWaalsContact C-N 3.28Å; I87-S89 PolarHBondContact O-N 3.44Å; S89-E91 PolarHBondContact O-N 3.47Å
90	M	93	Very high	94.3	Very high	74 Å²	74	69.6 Å²	69.6	37%	0.365	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.6	173.8	-62.7	-169.4	-69.4	0	0	113	I87 T88 D92 I93 Y94	I87-M90 HydrophobicContact CG2-CE 4.01Å; I87-M90 VanDerWaalsContact O-CB 3.31Å; I87-M90 WeakPolarHBondContact O-CB 3.44Å; I87-M90 WeakPolarHBondContact O-CE 3.43Å; I87-M90 WeakPolarHBondContact O-CG 3.33Å; I87-M90 PolarHBondContact O-N 2.78Å; I87-M90 VanDerWaalsContact O-N 3.11Å; T88-M90 PolarHBondContact O-N 3.23Å; M90-D92 PolarHBondContact O-N 2.93Å; M90-I93 HydrophobicContact CB-CD1 4.29Å; M90-I93 HydrophobicContact CG-CD1 4.29Å; M90-I93 WeakPolarHBondContact O-CB 3.37Å; M90-I93 PolarHBondContact O-N 2.95Å; M90-Y94 VanDerWaalsContact O-CD2 3.3Å; M90-Y94 WeakPolarHBondContact O-CD2 3.28Å
91	E	94.2	Very high	94	Very high	77 Å²	77	70.5 Å²	70.5	36%	0.36	39%	0.388	S	S	.	.	H	α-helix	trans	-52.3	-38.3	172.8	-73.2	166.7	-157	0	0	112.1	T31 H32 T88 S89 I93 Y94 S95	T31-E91 VanDerWaalsContact CA-OE1 3.29Å; T31-E91 WeakPolarHBondContact CA-OE1 3.4Å; H32-E91 PolarHBondContact N-OE1 3.28Å; H32-E91 PolarHBondContact N-OE2 3.2Å; T88-E91 VanDerWaalsContact O-CB 3.28Å; T88-E91 WeakPolarHBondContact O-CB 3.42Å; T88-E91 WeakPolarHBondContact O-CG 3.32Å; T88-E91 PolarHBondContact O-N 3.14Å; S89-E91 PolarHBondContact O-N 3.47Å; E91-I93 VanDerWaalsContact C-N 3.29Å; E91-I93 PolarHBondContact O-N 2.93Å; E91-Y94 PolarHBondContact O-N 2.93Å; E91-S95 PolarHBondContact O-N 2.91Å; E91-S95 VanDerWaalsContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 3.42Å
92	D	91.2	Very high	93.9	Very high	100 Å²	100	73 Å²	73	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-34.3	179	-73.3	-18.2	0	0	0	112.4	M90 Y94 S95 D96	M90-D92 PolarHBondContact O-N 2.93Å; D92-Y94 VanDerWaalsContact C-N 3.28Å; D92-Y94 PolarHBondContact O-N 3.13Å; D92-S95 WeakPolarHBondContact O-CB 3.19Å; D92-S95 PolarHBondContact O-N 2.87Å; D92-D96 WeakPolarHBondContact O-CB 3.35Å; D92-D96 PolarHBondContact O-N 2.94Å
93	I	91.4	Very high	93.7	Very high	92 Å²	92	73.5 Å²	73.5	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-40.6	178.4	-59	174.1	0	0	0	110	M90 E91 D96 V97	M90-I93 HydrophobicContact CB-CD1 4.29Å; M90-I93 HydrophobicContact CG-CD1 4.29Å; M90-I93 WeakPolarHBondContact O-CB 3.37Å; M90-I93 PolarHBondContact O-N 2.95Å; E91-I93 VanDerWaalsContact C-N 3.29Å; E91-I93 PolarHBondContact O-N 2.93Å; I93-D96 PolarHBondContact O-N 3.44Å; I93-V97 VanDerWaalsContact O-CG2 3.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.49Å; I93-V97 PolarHBondContact O-N 3.41Å
94	Y	91.8	Very high	93.5	Very high	119 Å²	119	70.6 Å²	70.6	47%	0.467	40%	0.398	S	S	.	.	H	α-helix	trans	-70	-38.9	178.1	-68.1	-82	0	0	0	111.7	M90 E91 D92 D96 V97 A98	M90-Y94 VanDerWaalsContact O-CD2 3.3Å; M90-Y94 WeakPolarHBondContact O-CD2 3.28Å; E91-Y94 PolarHBondContact O-N 2.93Å; D92-Y94 VanDerWaalsContact C-N 3.28Å; D92-Y94 PolarHBondContact O-N 3.13Å; Y94-D96 VanDerWaalsContact C-N 3.33Å; Y94-D96 PolarHBondContact O-N 3.15Å; Y94-V97 PolarHBondContact O-N 2.9Å; Y94-A98 WeakPolarHBondContact O-CB 3.45Å; Y94-A98 PolarHBondContact O-N 3.17Å
95	S	92.1	Very high	93.3	Very high	73 Å²	73	69.7 Å²	69.7	51%	0.51	40%	0.398	S	S	.	.	H	α-helix	trans	-60.8	-43.1	172.7	-62.9	0	0	0	0	111.6	E91 D92 A98 A99	E91-S95 PolarHBondContact O-N 2.91Å; E91-S95 VanDerWaalsContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 3.42Å; D92-S95 WeakPolarHBondContact O-CB 3.19Å; D92-S95 PolarHBondContact O-N 2.87Å; S95-A98 PolarHBondContact O-N 3.18Å; S95-A99 WeakPolarHBondContact O-CB 3.45Å; S95-A99 PolarHBondContact O-N 3.06Å
96	D	92.4	Very high	93.2	Very high	113 Å²	113	74.2 Å²	74.2	60%	0.604	42%	0.42	S	S	*	.	H	α-helix	trans	-64	-43.2	176.5	-84.9	-15.9	0	0	0	112.1	D92 I93 Y94 A99 F100	D92-D96 WeakPolarHBondContact O-CB 3.35Å; D92-D96 PolarHBondContact O-N 2.94Å; I93-D96 PolarHBondContact O-N 3.44Å; Y94-D96 VanDerWaalsContact C-N 3.33Å; Y94-D96 PolarHBondContact O-N 3.15Å; D96-A99 PolarHBondContact O-N 2.82Å; D96-F100 WeakPolarHBondContact O-CB 3.44Å; D96-F100 PolarHBondContact O-N 2.96Å
97	V	90.9	Very high	93.1	Very high	73 Å²	73	78 Å²	78	44%	0.442	42%	0.421	S	S	.	.	H	α-helix	trans	-61.8	-44.5	175.7	169.4	0	0	0	0	110.8	I93 Y94 F100 N101	I93-V97 VanDerWaalsContact O-CG2 3.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.49Å; I93-V97 PolarHBondContact O-N 3.41Å; Y94-V97 PolarHBondContact O-N 2.9Å; V97-F100 PolarHBondContact O-N 2.81Å; V97-N101 WeakPolarHBondContact O-CB 3.21Å; V97-N101 PolarHBondContact O-N 3.31Å; V97-N101 PolarHBondContact O-ND2 3.41Å
98	A	93.4	Very high	92.8	Very high	61 Å²	61	77.5 Å²	77.5	50%	0.504	42%	0.419	S	S	.	.	H	α-helix	trans	-61.8	-47.5	177.1	0	0	0	0	0	111.6	Y94 S95 F100 N101 A102	Y94-A98 WeakPolarHBondContact O-CB 3.45Å; Y94-A98 PolarHBondContact O-N 3.17Å; S95-A98 PolarHBondContact O-N 3.18Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 3.46Å; A98-N101 PolarHBondContact O-N 3.42Å; A98-A102 PolarHBondContact O-N 3.19Å; A98-A102 VanDerWaalsContact O-N 3.14Å
99	A	94.7	Very high	92.5	Very high	39 Å²	39	82.9 Å²	82.9	32%	0.322	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-39.7	177	0	0	0	0	0	112	S95 D96 A102 K103	S95-A99 WeakPolarHBondContact O-CB 3.45Å; S95-A99 PolarHBondContact O-N 3.06Å; D96-A99 PolarHBondContact O-N 2.82Å; A99-A102 PolarHBondContact O-N 3.15Å; A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 VanDerWaalsContact O-CG 3.23Å; A99-K103 WeakPolarHBondContact O-CG 3.43Å; A99-K103 PolarHBondContact O-N 3.31Å
100	F	91.6	Very high	92.4	Very high	83 Å²	83	87.8 Å²	87.8	36%	0.364	47%	0.465	S	S	.	.	H	α-helix	trans	-62.8	-46	176.8	174.9	-93.4	0	0	0	111.9	D96 V97 A98 A102 K103 R104 P365	D96-F100 WeakPolarHBondContact O-CB 3.44Å; D96-F100 PolarHBondContact O-N 2.96Å; V97-F100 PolarHBondContact O-N 2.81Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 3.46Å; F100-A102 VanDerWaalsContact C-N 3.35Å; F100-A102 PolarHBondContact O-N 2.85Å; F100-K103 PolarHBondContact O-N 3.35Å; F100-R104 WeakPolarHBondContact O-CB 3.39Å; F100-R104 PolarHBondContact O-N 3.12Å; F100-P365 HydrophobicContact CE2-CB 3.4Å; F100-P365 VanDerWaalsContact CE2-CB 3.4Å; F100-P365 HydrophobicContact CE2-CG 3.97Å; F100-P365 HydrophobicContact CZ-CB 3.42Å; F100-P365 VanDerWaalsContact CZ-CB 3.42Å; F100-P365 HydrophobicContact CZ-CG 3.52Å
101	N	92.7	Very high	92.1	Very high	70 Å²	70	87.2 Å²	87.2	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-58.6	-47	177.6	-71.1	-22.2	0	0	0	111.1	V97 A98 R104 A105	V97-N101 WeakPolarHBondContact O-CB 3.21Å; V97-N101 PolarHBondContact O-N 3.31Å; V97-N101 PolarHBondContact O-ND2 3.41Å; A98-N101 PolarHBondContact O-N 3.42Å; N101-R104 PolarHBondContact O-N 3.27Å; N101-A105 PolarHBondContact O-N 3.03Å
102	A	94.7	Very high	91.8	Very high	55 Å²	55	91.6 Å²	91.6	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-48.5	177.2	0	0	0	0	0	112.4	A98 A99 F100 R104 A105 L106	A98-A102 PolarHBondContact O-N 3.19Å; A98-A102 VanDerWaalsContact O-N 3.14Å; A99-A102 PolarHBondContact O-N 3.15Å; F100-A102 VanDerWaalsContact C-N 3.35Å; F100-A102 PolarHBondContact O-N 2.85Å; A102-R104 VanDerWaalsContact C-N 3.28Å; A102-R104 PolarHBondContact O-N 3.33Å; A102-A105 PolarHBondContact O-N 3.08Å; A102-L106 PolarHBondContact O-N 3.19Å; A102-L106 VanDerWaalsContact O-N 3.08Å
103	K	93.4	Very high	91.7	Very high	151 Å²	151	89.6 Å²	89.6	66%	0.657	48%	0.477	S	S	*	.	H	α-helix	trans	-59	-40.3	177	-75.3	170.6	-176.7	171.3	0	111.6	A99 F100 K107	A99-K103 WeakPolarHBondContact O-CB 3.4Å; A99-K103 VanDerWaalsContact O-CG 3.23Å; A99-K103 WeakPolarHBondContact O-CG 3.43Å; A99-K103 PolarHBondContact O-N 3.31Å; F100-K103 PolarHBondContact O-N 3.35Å; K103-K107 WeakPolarHBondContact O-CB 3.31Å; K103-K107 PolarHBondContact O-N 3.06Å
104	R	91.9	Very high	91.7	Very high	42 Å²	42	89.7 Å²	89.7	16%	0.158	48%	0.478	C	S	.	.	H	α-helix	trans	-67.9	-42.5	179.8	-173.8	54.6	172.6	148.7	-3.3	111.6	F100 N101 A102 K107 L108 E111	F100-R104 WeakPolarHBondContact O-CB 3.39Å; F100-R104 PolarHBondContact O-N 3.12Å; N101-R104 PolarHBondContact O-N 3.27Å; A102-R104 VanDerWaalsContact C-N 3.28Å; A102-R104 PolarHBondContact O-N 3.33Å; R104-K107 PolarHBondContact O-N 3.15Å; R104-L108 HydrophobicContact CG-CD1 4.18Å; R104-L108 VanDerWaalsContact O-CG 3.29Å; R104-L108 WeakPolarHBondContact O-CG 3.4Å; R104-L108 PolarHBondContact O-N 2.8Å; R104-E111 IonicContact NH1-OE1 2.69Å; R104-E111 PolarHBondContact NH1-OE1 3.34Å
105	A	94.1	Very high	91.6	Very high	36 Å²	36	89.3 Å²	89.3	30%	0.298	48%	0.484	S	S	.	.	H	α-helix	trans	-59.2	-47	175.7	0	0	0	0	0	111.8	N101 A102 L108 I109 W130	N101-A105 PolarHBondContact O-N 3.03Å; A102-A105 PolarHBondContact O-N 3.08Å; A105-L108 PolarHBondContact O-N 2.77Å; A105-I109 PolarHBondContact O-N 3.16Å; A105-W130 HydrophobicContact CB-CH2 4.3Å; A105-W130 HydrophobicContact CB-CZ2 4.15Å
106	L	94.4	Very high	91.7	Very high	111 Å²	111	93.1 Å²	93.1	58%	0.581	49%	0.492	S	S	*	.	H	α-helix	trans	-61	-47.9	175.8	-70	172.4	0	0	0	111.8	A102 L108 I109 M110	A102-L106 PolarHBondContact O-N 3.19Å; A102-L106 VanDerWaalsContact O-N 3.08Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 3.46Å; L106-I109 PolarHBondContact O-N 3.32Å; L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.47Å; L106-M110 PolarHBondContact O-N 2.67Å
107	K	91.4	Very high	91.6	Very high	129 Å²	129	91.8 Å²	91.8	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-56.2	-46.1	178.8	-176.7	176.5	177.8	-178.5	0	111.6	K103 R104 I109 M110 E111	K103-K107 WeakPolarHBondContact O-CB 3.31Å; K103-K107 PolarHBondContact O-N 3.06Å; R104-K107 PolarHBondContact O-N 3.15Å; K107-I109 VanDerWaalsContact C-N 3.3Å; K107-I109 PolarHBondContact O-N 3.11Å; K107-M110 CarbonylContact O-C 3.47Å; K107-M110 PolarHBondContact O-N 3.16Å; K107-M110 VanDerWaalsContact O-N 3.12Å; K107-E111 WeakPolarHBondContact O-CG 3.49Å; K107-E111 PolarHBondContact O-N 2.97Å
108	L	90.6	Very high	91.5	Very high	64 Å²	64	94.4 Å²	94.4	34%	0.335	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-36.2	-178.9	-74.2	168.8	0	0	0	112.9	R104 A105 L106 W130	R104-L108 HydrophobicContact CG-CD1 4.18Å; R104-L108 VanDerWaalsContact O-CG 3.29Å; R104-L108 WeakPolarHBondContact O-CG 3.4Å; R104-L108 PolarHBondContact O-N 2.8Å; A105-L108 PolarHBondContact O-N 2.77Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-L108 PolarHBondContact O-N 3.46Å; L108-W130 HydrophobicContact CD1-CZ2 4.39Å
109	I	89.6	Confident	91.5	Very high	128 Å²	128	100.2 Å²	100.2	66%	0.656	49%	0.492	S	S	*	.	H	α-helix	trans	-75.3	-31.1	177.2	-63.7	167.3	0	0	0	111.1	A105 L106 K107 E111	A105-I109 PolarHBondContact O-N 3.16Å; L106-I109 PolarHBondContact O-N 3.32Å; K107-I109 VanDerWaalsContact C-N 3.3Å; K107-I109 PolarHBondContact O-N 3.11Å; I109-E111 VanDerWaalsContact C-N 3.34Å
110	M	90.2	Very high	91.4	Very high	153 Å²	153	107.2 Å²	107.2	75%	0.754	51%	0.51	S	S	*	.	H	α-helix	trans	-83.8	-3.6	178.8	-64.6	174.8	70.7	0	0	113.8	L106 K107 N112	L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.47Å; L106-M110 PolarHBondContact O-N 2.67Å; K107-M110 CarbonylContact O-C 3.47Å; K107-M110 PolarHBondContact O-N 3.16Å; K107-M110 VanDerWaalsContact O-N 3.12Å; M110-N112 PolarHBondContact O-N 3.41Å
111	E	86.9	Confident	91.5	Very high	63 Å²	63	112 Å²	112	29%	0.294	53%	0.531	S	S	.	.			trans	-64.2	123.7	177.1	-79.8	179.1	-165.9	0	0	110.1	R104 K107 I109 L113	R104-E111 IonicContact NH1-OE1 2.69Å; R104-E111 PolarHBondContact NH1-OE1 3.34Å; K107-E111 WeakPolarHBondContact O-CG 3.49Å; K107-E111 PolarHBondContact O-N 2.97Å; I109-E111 VanDerWaalsContact C-N 3.34Å; E111-L113 HydrophobicContact CB-CD1 4.34Å; E111-L113 HydrophobicContact CB-CG 4.12Å; E111-L113 PolarHBondContact O-N 2.87Å
112	N	88.4	Confident	91.5	Very high	168 Å²	168	111.5 Å²	111.5	90%	0.898	53%	0.527	S	S	*	.			trans	-78.1	71.4	-177.7	-171	22	0	0	0	111.3	M110	M110-N112 PolarHBondContact O-N 3.41Å
113	L	89.9	Confident	91.4	Very high	58 Å²	58	112.5 Å²	112.5	30%	0.304	53%	0.531	S	S	.	.			trans	-90.7	147.2	177.6	-58.7	174.2	0	0	0	110.7	E111 F117 W118	E111-L113 HydrophobicContact CB-CD1 4.34Å; E111-L113 HydrophobicContact CB-CG 4.12Å; E111-L113 PolarHBondContact O-N 2.87Å; L113-F117 HydrophobicContact CB-CB 4.04Å; L113-F117 HydrophobicContact CB-CD1 3.82Å; L113-F117 HydrophobicContact CB-CG 4.01Å; L113-F117 HydrophobicContact CD1-CD1 3.48Å; L113-F117 VanDerWaalsContact CD1-CD1 3.48Å; L113-F117 HydrophobicContact CD1-CD2 4.03Å; L113-F117 HydrophobicContact CD1-CE1 3.41Å; L113-F117 VanDerWaalsContact CD1-CE1 3.41Å; L113-F117 HydrophobicContact CD1-CE2 3.95Å; L113-F117 HydrophobicContact CD1-CG 3.8Å; L113-F117 HydrophobicContact CD1-CZ 3.65Å; L113-F117 HydrophobicContact CG-CD1 4.3Å; L113-W118 VanDerWaalsContact O-CD1 3.32Å; L113-W118 PolarHBondContact O-NE1 3.25Å
114	D	90.8	Very high	91.5	Very high	95 Å²	95	106.7 Å²	106.7	51%	0.508	51%	0.514	S	S	.	.			trans	-63.8	154.3	-179.9	-179.8	24.4	0	0	0	112	K116 F117	D114-K116 PolarHBondContact O-N 2.76Å; D114-K116 WeakPolarHBondContact OD2-CD 3.5Å; D114-K116 WeakPolarHBondContact OD2-CG 2.97Å; D114-F117 WeakPolarHBondContact O-CA 3.31Å; D114-F117 VanDerWaalsContact O-CB 3.29Å; D114-F117 WeakPolarHBondContact O-CB 3.49Å; D114-F117 PolarHBondContact O-N 3.3Å
115	N	90.5	Very high	91.6	Very high	110 Å²	110	107.2 Å²	107.2	59%	0.588	52%	0.523	S	S	*	.	H	α-helix	trans	-54.6	-24.3	176.3	-73	-37.4	0	0	0	113.5	F117 R119	N115-F117 VanDerWaalsContact C-N 3.28Å; N115-F117 PolarHBondContact O-N 3.31Å; N115-R119 WeakPolarHBondContact O-CG 3.28Å; N115-R119 PolarHBondContact O-N 3.05Å; N115-R119 VanDerWaalsContact O-N 3.1Å; N115-R119 PolarHBondContact O-NE 2.81Å
116	K	93.4	Very high	91.7	Very high	154 Å²	154	109.7 Å²	109.7	67%	0.67	53%	0.53	S	S	*	.	H	α-helix	trans	-59.7	-37.9	170.6	-69.4	177.4	-174.1	173.7	0	112.3	D114 R119	D114-K116 PolarHBondContact O-N 2.76Å; D114-K116 WeakPolarHBondContact OD2-CD 3.5Å; D114-K116 WeakPolarHBondContact OD2-CG 2.97Å; K116-R119 VanDerWaalsContact CG-NH2 3.3Å
117	F	90.8	Very high	91.8	Very high	85 Å²	85	108.5 Å²	108.5	37%	0.373	53%	0.525	S	S	.	.	H	α-helix	trans	-68.3	-52.6	175.6	173.5	-94.4	0	0	0	110.9	L113 D114 N115 R119 R120 L122	L113-F117 HydrophobicContact CB-CB 4.04Å; L113-F117 HydrophobicContact CB-CD1 3.82Å; L113-F117 HydrophobicContact CB-CG 4.01Å; L113-F117 HydrophobicContact CD1-CD1 3.48Å; L113-F117 VanDerWaalsContact CD1-CD1 3.48Å; L113-F117 HydrophobicContact CD1-CD2 4.03Å; L113-F117 HydrophobicContact CD1-CE1 3.41Å; L113-F117 VanDerWaalsContact CD1-CE1 3.41Å; L113-F117 HydrophobicContact CD1-CE2 3.95Å; L113-F117 HydrophobicContact CD1-CG 3.8Å; L113-F117 HydrophobicContact CD1-CZ 3.65Å; L113-F117 HydrophobicContact CG-CD1 4.3Å; D114-F117 WeakPolarHBondContact O-CA 3.31Å; D114-F117 VanDerWaalsContact O-CB 3.29Å; D114-F117 WeakPolarHBondContact O-CB 3.49Å; D114-F117 PolarHBondContact O-N 3.3Å; N115-F117 VanDerWaalsContact C-N 3.28Å; N115-F117 PolarHBondContact O-N 3.31Å; F117-R119 PolarHBondContact O-N 2.6Å; F117-R119 VanDerWaalsContact O-N 3.15Å; F117-R120 VanDerWaalsContact O-CB 3.25Å; F117-R120 WeakPolarHBondContact O-CB 3.49Å; F117-R120 PolarHBondContact O-N 3.24Å; F117-L122 HydrophobicContact CE2-CD1 3.87Å; F117-L122 HydrophobicContact CZ-CD1 3.93Å
118	W	88.8	Confident	92	Very high	128 Å²	128	109.9 Å²	109.9	49%	0.485	53%	0.526	S	S	.	.	H	α-helix	trans	-65.8	-18.3	-176.3	-61.8	109.8	0	0	0	114.3	L113 R120	L113-W118 VanDerWaalsContact O-CD1 3.32Å; L113-W118 PolarHBondContact O-NE1 3.25Å; W118-R120 VanDerWaalsContact C-N 3.25Å; W118-R120 PolarHBondContact O-N 2.74Å
119	R	92.9	Very high	92.1	Very high	182 Å²	182	110.7 Å²	110.7	69%	0.687	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.4	169.5	-80.1	-176.1	-73	-124.7	-2.3	113.8	N115 K116 F117	N115-R119 WeakPolarHBondContact O-CG 3.28Å; N115-R119 PolarHBondContact O-N 3.05Å; N115-R119 VanDerWaalsContact O-N 3.1Å; N115-R119 PolarHBondContact O-NE 2.81Å; K116-R119 VanDerWaalsContact CG-NH2 3.3Å; F117-R119 PolarHBondContact O-N 2.6Å; F117-R119 VanDerWaalsContact O-N 3.15Å
120	R	93.5	Very high	92.4	Very high	186 Å²	186	109.3 Å²	109.3	70%	0.702	52%	0.523	S	S	*	.	S	Bend	trans	-82.6	128.1	-179.4	-162.8	71.6	100.9	116	1.3	110.5	F117 W118 L122	F117-R120 VanDerWaalsContact O-CB 3.25Å; F117-R120 WeakPolarHBondContact O-CB 3.49Å; F117-R120 PolarHBondContact O-N 3.24Å; W118-R120 VanDerWaalsContact C-N 3.25Å; W118-R120 PolarHBondContact O-N 2.74Å; R120-L122 HydrophobicContact CB-CG 4.22Å; R120-L122 HydrophobicContact CG-CD2 3.87Å; R120-L122 HydrophobicContact CG-CG 4.02Å; R120-L122 PolarHBondContact O-N 2.84Å
121	K	92.1	Very high	92.7	Very high	185 Å²	185	107.6 Å²	107.6	80%	0.804	51%	0.513	S	S	*	.			trans	-76.1	92.8	174.8	-171.1	177	-178.1	179.5	0	110.7
122	L	92.4	Very high	93	Very high	58 Å²	58	107.4 Å²	107.4	30%	0.304	51%	0.514	S	S	.	.			trans	-103.7	6.7	-179.1	-64.5	178.4	0	0	0	114.3	F117 R120 G124 P125 I126	F117-L122 HydrophobicContact CE2-CD1 3.87Å; F117-L122 HydrophobicContact CZ-CD1 3.93Å; R120-L122 HydrophobicContact CB-CG 4.22Å; R120-L122 HydrophobicContact CG-CD2 3.87Å; R120-L122 HydrophobicContact CG-CG 4.02Å; R120-L122 PolarHBondContact O-N 2.84Å; L122-G124 PolarHBondContact O-N 3.35Å; L122-P125 VanDerWaalsContact O-CD 3.3Å; L122-P125 WeakPolarHBondContact O-CD 3.22Å; L122-I126 HydrophobicContact CB-CD1 3.76Å; L122-I126 HydrophobicContact CB-CG1 4.13Å; L122-I126 WeakPolarHBondContact O-CB 3.4Å; L122-I126 WeakPolarHBondContact O-CD1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 3.02Å
123	S	94	Very high	93.2	Very high	76 Å²	76	103.6 Å²	103.6	53%	0.531	49%	0.493	S	S	.	.	H	α-helix	trans	-55.1	-45.7	-174.9	58.4	0	0	0	0	113.9	N127	S123-N127 WeakPolarHBondContact O-CB 3.34Å; S123-N127 PolarHBondContact O-N 2.92Å
124	G	95.7	Very high	93.4	Very high	29 Å²	29	102.1 Å²	102.1	30%	0.299	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-55.8	177.6	0	0	0	0	0	113	L122 I126 N127 R128	L122-G124 PolarHBondContact O-N 3.35Å; G124-I126 VanDerWaalsContact C-N 3.34Å; G124-I126 PolarHBondContact O-N 2.83Å; G124-N127 PolarHBondContact O-N 2.87Å; G124-R128 PolarHBondContact O-N 2.77Å
125	P	94.2	Very high	93.6	Very high	54 Å²	54	100.7 Å²	100.7	35%	0.351	48%	0.48	S	S	.	.	H	α-helix	trans	-54.3	-44	173.4	-28.8	34.4	0	0	0	114.1	L122 N127 R128 C129	L122-P125 VanDerWaalsContact O-CD 3.3Å; L122-P125 WeakPolarHBondContact O-CD 3.22Å; P125-N127 VanDerWaalsContact C-N 3.34Å; P125-N127 PolarHBondContact O-N 3.11Å; P125-R128 PolarHBondContact O-N 3.2Å; P125-C129 PolarHBondContact O-N 3Å; P125-C129 PolarHBondContact O-SG 3.33Å
126	I	94.8	Very high	93.7	Very high	88 Å²	88	97.2 Å²	97.2	45%	0.451	46%	0.459	S	S	.	.	H	α-helix	trans	-59.2	-47.4	177.9	-71.3	165.5	0	0	0	110.5	L122 G124 C129 W130	L122-I126 HydrophobicContact CB-CD1 3.76Å; L122-I126 HydrophobicContact CB-CG1 4.13Å; L122-I126 WeakPolarHBondContact O-CB 3.4Å; L122-I126 WeakPolarHBondContact O-CD1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.41Å; L122-I126 PolarHBondContact O-N 3.02Å; G124-I126 VanDerWaalsContact C-N 3.34Å; G124-I126 PolarHBondContact O-N 2.83Å; I126-C129 PolarHBondContact O-N 3.49Å; I126-W130 PolarHBondContact O-N 3.25Å; I126-W130 VanDerWaalsContact O-N 3.17Å
127	N	97.2	Very high	93.7	Very high	86 Å²	86	93.4 Å²	93.4	46%	0.46	45%	0.451	S	S	.	.	H	α-helix	trans	-59.4	-49.5	178.4	-174.8	-51.2	0	0	0	111.1	S123 G124 P125 C129 W130 Q131	S123-N127 WeakPolarHBondContact O-CB 3.34Å; S123-N127 PolarHBondContact O-N 2.92Å; G124-N127 PolarHBondContact O-N 2.87Å; P125-N127 VanDerWaalsContact C-N 3.34Å; P125-N127 PolarHBondContact O-N 3.11Å; N127-C129 VanDerWaalsContact C-N 3.31Å; N127-C129 PolarHBondContact O-N 3.47Å; N127-W130 PolarHBondContact O-N 3.38Å; N127-W130 VanDerWaalsContact O-N 3.12Å; N127-Q131 WeakPolarHBondContact O-CG 3.4Å; N127-Q131 PolarHBondContact O-N 2.78Å; N127-Q131 WeakPolarHBondContact OD1-CG 3.21Å; N127-Q131 PolarHBondContact OD1-NE2 2.98Å; N127-Q131 PolarHBondContact OD1-OE1 2.84Å
128	R	95.1	Very high	93.8	Very high	157 Å²	157	94.8 Å²	94.8	59%	0.592	46%	0.459	S	S	*	.	H	α-helix	trans	-59.3	-38.3	177.6	-70.6	-166.3	-60.5	-90.4	4.8	113.2	G124 P125 Q131 N132	G124-R128 PolarHBondContact O-N 2.77Å; P125-R128 PolarHBondContact O-N 3.2Å; R128-Q131 PolarHBondContact O-N 3.29Å; R128-N132 WeakPolarHBondContact O-CB 3.17Å; R128-N132 PolarHBondContact O-N 3.16Å
129	C	93.9	Very high	94.1	Very high	81 Å²	81	89.3 Å²	89.3	55%	0.547	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-44.3	175.8	-70.9	0	0	0	0	111.9	P125 I126 N127 N132 L133	P125-C129 PolarHBondContact O-N 3Å; P125-C129 PolarHBondContact O-SG 3.33Å; I126-C129 PolarHBondContact O-N 3.49Å; N127-C129 VanDerWaalsContact C-N 3.31Å; N127-C129 PolarHBondContact O-N 3.47Å; C129-N132 PolarHBondContact O-N 3.19Å; C129-L133 WeakPolarHBondContact O-CG 3.41Å; C129-L133 PolarHBondContact O-N 3.03Å; C129-L133 VanDerWaalsContact O-N 3.15Å
130	W	95.9	Very high	94.1	Very high	100 Å²	100	82.4 Å²	82.4	38%	0.379	42%	0.421	S	S	.	.	H	α-helix	trans	-70	-40.1	177.5	-74.1	115.2	0	0	0	112.7	A105 L108 I126 N127 N132 L133 G134	A105-W130 HydrophobicContact CB-CH2 4.3Å; A105-W130 HydrophobicContact CB-CZ2 4.15Å; L108-W130 HydrophobicContact CD1-CZ2 4.39Å; I126-W130 PolarHBondContact O-N 3.25Å; I126-W130 VanDerWaalsContact O-N 3.17Å; N127-W130 PolarHBondContact O-N 3.38Å; N127-W130 VanDerWaalsContact O-N 3.12Å; W130-N132 VanDerWaalsContact C-N 3.31Å; W130-N132 PolarHBondContact O-N 2.82Å; W130-L133 HydrophobicContact CE3-CD1 3.9Å; W130-L133 HydrophobicContact CZ3-CD1 4Å; W130-L133 PolarHBondContact O-N 3.47Å; W130-G134 PolarHBondContact O-N 3.44Å
131	Q	95.4	Very high	94.2	Very high	116 Å²	116	77.7 Å²	77.7	54%	0.542	41%	0.413	S	S	.	.	H	α-helix	trans	-59	-43.2	173.5	-74.2	178.1	-24.6	0	0	111.6	N127 R128 L133 G134 R135	N127-Q131 WeakPolarHBondContact O-CG 3.4Å; N127-Q131 PolarHBondContact O-N 2.78Å; N127-Q131 WeakPolarHBondContact OD1-CG 3.21Å; N127-Q131 PolarHBondContact OD1-NE2 2.98Å; N127-Q131 PolarHBondContact OD1-OE1 2.84Å; R128-Q131 PolarHBondContact O-N 3.29Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 2.91Å; Q131-G134 WeakPolarHBondContact O-CA 2.94Å; Q131-G134 PolarHBondContact O-N 2.99Å; Q131-G134 VanDerWaalsContact O-N 3.13Å; Q131-R135 PolarHBondContact O-N 2.79Å
132	N	93.5	Very high	94.3	Very high	59 Å²	59	72.1 Å²	72.1	32%	0.316	39%	0.391	S	S	.	.	H	α-helix	trans	-64	-38.3	177.2	-171	61.1	0	0	0	112.5	R128 C129 W130 G134 R135 Y136	R128-N132 WeakPolarHBondContact O-CB 3.17Å; R128-N132 PolarHBondContact O-N 3.16Å; C129-N132 PolarHBondContact O-N 3.19Å; W130-N132 VanDerWaalsContact C-N 3.31Å; W130-N132 PolarHBondContact O-N 2.82Å; N132-G134 VanDerWaalsContact C-N 3.33Å; N132-R135 WeakPolarHBondContact O-CB 3.42Å; N132-R135 PolarHBondContact O-N 3.02Å; N132-Y136 PolarHBondContact ND2-OH 3.49Å; N132-Y136 WeakPolarHBondContact O-CD1 3.07Å; N132-Y136 PolarHBondContact O-N 3.48Å; N132-Y136 VanDerWaalsContact O-N 3.17Å
133	L	92.4	Very high	94.3	Very high	88 Å²	88	70.7 Å²	70.7	46%	0.461	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-35.8	172.4	-70.7	175	0	0	0	112.2	C129 W130 Q131 Y136 S137	C129-L133 WeakPolarHBondContact O-CG 3.41Å; C129-L133 PolarHBondContact O-N 3.03Å; C129-L133 VanDerWaalsContact O-N 3.15Å; W130-L133 HydrophobicContact CE3-CD1 3.9Å; W130-L133 HydrophobicContact CZ3-CD1 4Å; W130-L133 PolarHBondContact O-N 3.47Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 2.91Å; L133-Y136 HydrophobicContact CD2-CD2 4.45Å; L133-Y136 PolarHBondContact O-N 3.16Å; L133-S137 PolarHBondContact O-N 3.4Å; L133-S137 VanDerWaalsContact O-N 3.13Å
134	G	94.9	Very high	94.4	Very high	28 Å²	28	70.5 Å²	70.5	29%	0.289	38%	0.375	S	S	.	.	H	α-helix	trans	-56.6	-49	171.1	0	0	0	0	0	111.8	W130 Q131 N132 Y136 S137 E138	W130-G134 PolarHBondContact O-N 3.44Å; Q131-G134 WeakPolarHBondContact O-CA 2.94Å; Q131-G134 PolarHBondContact O-N 2.99Å; Q131-G134 VanDerWaalsContact O-N 3.13Å; N132-G134 VanDerWaalsContact C-N 3.33Å; G134-Y136 VanDerWaalsContact C-N 3.28Å; G134-Y136 PolarHBondContact O-N 2.88Å; G134-S137 WeakPolarHBondContact O-CB 3.36Å; G134-S137 PolarHBondContact O-N 2.92Å; G134-S137 PolarHBondContact O-OG 2.92Å; G134-E138 PolarHBondContact O-N 3.19Å
135	R	93.7	Very high	94.4	Very high	65 Å²	65	74.9 Å²	74.9	25%	0.245	39%	0.386	C	S	.	.	H	α-helix	trans	-55.7	-42.5	174.3	-64.9	171.8	69.8	112.1	0.8	112	Q131 N132 S137 E138 L139	Q131-R135 PolarHBondContact O-N 2.79Å; N132-R135 WeakPolarHBondContact O-CB 3.42Å; N132-R135 PolarHBondContact O-N 3.02Å; R135-S137 VanDerWaalsContact C-N 3.25Å; R135-S137 PolarHBondContact O-N 3.42Å; R135-E138 WeakPolarHBondContact O-CB 3.47Å; R135-E138 PolarHBondContact O-N 2.69Å; R135-E138 VanDerWaalsContact O-N 3.14Å; R135-L139 WeakPolarHBondContact O-CG 3.45Å; R135-L139 PolarHBondContact O-N 3.21Å
136	Y	93.2	Very high	94.5	Very high	37 Å²	37	73 Å²	73	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-65	-29.7	178.7	-68.8	1.5	0	0	0	113	N132 L133 G134 L139 A140 P389 V391 C392	N132-Y136 PolarHBondContact ND2-OH 3.49Å; N132-Y136 WeakPolarHBondContact O-CD1 3.07Å; N132-Y136 PolarHBondContact O-N 3.48Å; N132-Y136 VanDerWaalsContact O-N 3.17Å; L133-Y136 HydrophobicContact CD2-CD2 4.45Å; L133-Y136 PolarHBondContact O-N 3.16Å; G134-Y136 VanDerWaalsContact C-N 3.28Å; G134-Y136 PolarHBondContact O-N 2.88Å; Y136-L139 HydrophobicContact CD1-CD1 4.47Å; Y136-A140 PolarHBondContact O-N 2.98Å; Y136-P389 HydrophobicContact CE2-CB 4.46Å; Y136-P389 HydrophobicContact CE2-CG 4.19Å; Y136-V391 HydrophobicContact CD1-CG1 4.41Å; Y136-V391 HydrophobicContact CD2-CG1 4.14Å; Y136-V391 HydrophobicContact CG-CG1 4.02Å; Y136-C392 WeakPolarHBondContact CE1-SG 3.45Å; Y136-C392 VanDerWaalsContact CZ-SG 3.53Å
137	S	92.6	Very high	94.5	Very high	73 Å²	73	70.7 Å²	70.7	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-68.3	-37.6	173.2	75.5	0	0	0	0	112.3	L133 G134 R135 A140 T141	L133-S137 PolarHBondContact O-N 3.4Å; L133-S137 VanDerWaalsContact O-N 3.13Å; G134-S137 WeakPolarHBondContact O-CB 3.36Å; G134-S137 PolarHBondContact O-N 2.92Å; G134-S137 PolarHBondContact O-OG 2.92Å; R135-S137 VanDerWaalsContact C-N 3.25Å; R135-S137 PolarHBondContact O-N 3.42Å; S137-A140 WeakPolarHBondContact O-CB 3.31Å; S137-A140 PolarHBondContact O-N 3.49Å; S137-T141 PolarHBondContact O-N 3.27Å; S137-T141 PolarHBondContact O-OG1 3.11Å
138	E	94.5	Very high	94.5	Very high	115 Å²	115	69.1 Å²	69.1	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-42	174.6	-63	165.4	-178	0	0	111.4	G134 R135 A140 T141 I142	G134-E138 PolarHBondContact O-N 3.19Å; R135-E138 WeakPolarHBondContact O-CB 3.47Å; R135-E138 PolarHBondContact O-N 2.69Å; R135-E138 VanDerWaalsContact O-N 3.14Å; E138-A140 VanDerWaalsContact C-N 3.27Å; E138-A140 PolarHBondContact O-N 3.4Å; E138-T141 VanDerWaalsContact O-CB 3.3Å; E138-T141 WeakPolarHBondContact O-CB 3.47Å; E138-T141 PolarHBondContact O-N 3.05Å; E138-T141 VanDerWaalsContact O-N 3.11Å; E138-I142 PolarHBondContact O-N 3.43Å
139	L	95.1	Very high	94.6	Very high	12 Å²	12	64.9 Å²	64.9	6%	0.063	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-35.7	174.5	-62.1	-168.4	0	0	0	112.1	R135 Y136 T141 I142 H143 L240 C241 V391	R135-L139 WeakPolarHBondContact O-CG 3.45Å; R135-L139 PolarHBondContact O-N 3.21Å; Y136-L139 HydrophobicContact CD1-CD1 4.47Å; L139-T141 VanDerWaalsContact C-N 3.28Å; L139-T141 PolarHBondContact O-N 3.44Å; L139-I142 HydrophobicContact CD2-CD1 4.06Å; L139-I142 WeakPolarHBondContact O-CB 3.27Å; L139-I142 PolarHBondContact O-N 2.91Å; L139-H143 PolarHBondContact O-CD2 3.47Å; L139-H143 PolarHBondContact O-N 3.24Å; L139-H143 VanDerWaalsContact O-N 3.11Å; L139-L240 HydrophobicContact CD1-CB 3.81Å; L139-L240 HydrophobicContact CD1-CD1 4.5Å; L139-L240 HydrophobicContact CD2-CB 3.66Å; L139-L240 HydrophobicContact CD2-CD1 4.28Å; L139-L240 HydrophobicContact CD2-CG 4.49Å; L139-L240 HydrophobicContact CG-CB 4.33Å; L139-C241 HydrophobicContact CD1-CB 4.11Å; L139-V391 HydrophobicContact CB-CG2 3.89Å
140	A	92.6	Very high	94.8	Very high	38 Å²	38	62.6 Å²	62.6	31%	0.314	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-35.5	174.6	0	0	0	0	0	112	Y136 S137 E138 I142 H143 L144 V391	Y136-A140 PolarHBondContact O-N 2.98Å; S137-A140 WeakPolarHBondContact O-CB 3.31Å; S137-A140 PolarHBondContact O-N 3.49Å; E138-A140 VanDerWaalsContact C-N 3.27Å; E138-A140 PolarHBondContact O-N 3.4Å; A140-I142 VanDerWaalsContact C-N 3.34Å; A140-H143 PolarHBondContact O-N 2.92Å; A140-L144 PolarHBondContact O-N 3.34Å; A140-V391 HydrophobicContact CB-CG2 4.5Å
141	T	94.7	Very high	94.8	Very high	87 Å²	87	61 Å²	61	53%	0.534	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-38.7	173.5	-55.8	0	0	0	0	112.1	S137 E138 L139 L144 K145	S137-T141 PolarHBondContact O-N 3.27Å; S137-T141 PolarHBondContact O-OG1 3.11Å; E138-T141 VanDerWaalsContact O-CB 3.3Å; E138-T141 WeakPolarHBondContact O-CB 3.47Å; E138-T141 PolarHBondContact O-N 3.05Å; E138-T141 VanDerWaalsContact O-N 3.11Å; L139-T141 VanDerWaalsContact C-N 3.28Å; L139-T141 PolarHBondContact O-N 3.44Å; T141-L144 WeakPolarHBondContact O-CB 3.4Å; T141-L144 PolarHBondContact O-N 3.44Å; T141-K145 PolarHBondContact O-N 2.87Å
142	I	93.6	Very high	95	Very high	67 Å²	67	60 Å²	60	34%	0.344	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-45.8	173.4	-66.9	172.9	0	0	0	110.6	E138 L139 A140 K145 N146 W394	E138-I142 PolarHBondContact O-N 3.43Å; L139-I142 HydrophobicContact CD2-CD1 4.06Å; L139-I142 WeakPolarHBondContact O-CB 3.27Å; L139-I142 PolarHBondContact O-N 2.91Å; A140-I142 VanDerWaalsContact C-N 3.34Å; I142-K145 PolarHBondContact O-N 3.23Å; I142-N146 PolarHBondContact O-N 3.25Å; I142-N146 VanDerWaalsContact O-N 3.13Å; I142-W394 HydrophobicContact CG2-CE3 3.98Å; I142-W394 HydrophobicContact CG2-CZ3 3.46Å; I142-W394 VanDerWaalsContact CG2-CZ3 3.46Å
143	H	94.2	Very high	95.2	Very high	29 Å²	29	57.3 Å²	57.3	13%	0.134	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-33.8	177.9	-66.1	-59.8	0	0	0	113	L139 A140 K145 N146 A147 R227 L240 V391 V393	L139-H143 PolarHBondContact O-CD2 3.47Å; L139-H143 PolarHBondContact O-N 3.24Å; L139-H143 VanDerWaalsContact O-N 3.11Å; A140-H143 PolarHBondContact O-N 2.92Å; H143-K145 VanDerWaalsContact C-N 3.35Å; H143-N146 PolarHBondContact O-N 2.92Å; H143-A147 PolarHBondContact O-N 3.27Å; H143-R227 PolarHBondContact CE1-NH2 3.45Å; H143-R227 VanDerWaalsContact CE1-NH2 3.31Å; H143-L240 WeakPolarHBondContact NE2-CD1 3.38Å; H143-V391 PolarHBondContact NE2-O 3.35Å; H143-V393 PolarHBondContact CE1-O 2.81Å; H143-V393 VanDerWaalsContact CE1-O 3.3Å
144	L	95.6	Very high	95.5	Very high	71 Å²	71	56 Å²	56	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-60.1	-46.2	172.1	175.1	67.2	0	0	0	110.6	A140 T141 N146 A147 A148	A140-L144 PolarHBondContact O-N 3.34Å; T141-L144 WeakPolarHBondContact O-CB 3.4Å; T141-L144 PolarHBondContact O-N 3.44Å; L144-N146 VanDerWaalsContact C-N 3.34Å; L144-N146 PolarHBondContact O-N 3.33Å; L144-A147 WeakPolarHBondContact O-CB 3.4Å; L144-A147 PolarHBondContact O-N 3.49Å; L144-A148 PolarHBondContact O-N 3.48Å
145	K	96	Very high	95.6	Very high	121 Å²	121	59.8 Å²	59.8	53%	0.526	31%	0.31	S	S	.	.	H	α-helix	trans	-58.4	-45.9	176.4	174.3	165.9	174.1	43.6	0	111.7	T141 I142 H143 A147 A148 D149	T141-K145 PolarHBondContact O-N 2.87Å; I142-K145 PolarHBondContact O-N 3.23Å; H143-K145 VanDerWaalsContact C-N 3.35Å; K145-A147 VanDerWaalsContact C-N 3.3Å; K145-A147 PolarHBondContact O-N 3.22Å; K145-A148 PolarHBondContact O-N 2.95Å; K145-D149 IonicContact NZ-OD1 3.71Å; K145-D149 PolarHBondContact NZ-OD1 2.75Å; K145-D149 VanDerWaalsContact NZ-OD1 3.11Å; K145-D149 IonicContact NZ-OD2 2.76Å; K145-D149 PolarHBondContact NZ-OD2 2.85Å; K145-D149 VanDerWaalsContact O-CG 3.32Å; K145-D149 PolarHBondContact O-N 3.03Å
146	N	94.9	Very high	95.8	Very high	16 Å²	16	58 Å²	58	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-41.4	176.1	-71.7	-14.7	0	0	0	112.8	I142 H143 L144 A148 D149 F150 V222 I224 W394	I142-N146 PolarHBondContact O-N 3.25Å; I142-N146 VanDerWaalsContact O-N 3.13Å; H143-N146 PolarHBondContact O-N 2.92Å; L144-N146 VanDerWaalsContact C-N 3.34Å; L144-N146 PolarHBondContact O-N 3.33Å; N146-A148 VanDerWaalsContact C-N 3.33Å; N146-D149 PolarHBondContact O-N 3.19Å; N146-F150 VanDerWaalsContact O-CB 3.22Å; N146-F150 WeakPolarHBondContact O-CB 3.49Å; N146-F150 PolarHBondContact O-N 3.31Å; N146-V222 HydrophobicContact CB-CB 4.36Å; N146-I224 HydrophobicContact CB-CG2 4.24Å; N146-W394 WeakPolarHBondContact ND2-CH2 3.37Å; N146-W394 WeakPolarHBondContact ND2-CZ3 3.47Å; N146-W394 WeakPolarHBondContact OD1-CH2 3.34Å; N146-W394 WeakPolarHBondContact OD1-CZ3 3.29Å
147	A	95.2	Very high	96.1	Very high	39 Å²	39	56.2 Å²	56.2	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-41.3	177.9	0	0	0	0	0	111.2	H143 L144 K145 H151 I224	H143-A147 PolarHBondContact O-N 3.27Å; L144-A147 WeakPolarHBondContact O-CB 3.4Å; L144-A147 PolarHBondContact O-N 3.49Å; K145-A147 VanDerWaalsContact C-N 3.3Å; K145-A147 PolarHBondContact O-N 3.22Å; A147-H151 VanDerWaalsContact O-CB 3.23Å; A147-H151 WeakPolarHBondContact O-CB 3.39Å; A147-H151 PolarHBondContact O-N 2.99Å; A147-I224 HydrophobicContact CB-CD1 4.47Å
148	A	97.5	Very high	96.3	Very high	53 Å²	53	59.2 Å²	59.2	44%	0.438	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-48.8	175.3	0	0	0	0	0	111.8	L144 K145 N146 F150 H151 Q152	L144-A148 PolarHBondContact O-N 3.48Å; K145-A148 PolarHBondContact O-N 2.95Å; N146-A148 VanDerWaalsContact C-N 3.33Å; A148-F150 PolarHBondContact O-N 3.29Å; A148-H151 PolarHBondContact O-N 2.64Å; A148-Q152 VanDerWaalsContact O-CB 3.28Å; A148-Q152 WeakPolarHBondContact O-CB 3.39Å; A148-Q152 PolarHBondContact O-N 3.39Å
149	D	97.3	Very high	96.3	Very high	68 Å²	68	56.8 Å²	56.8	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-43.7	179.5	-67.4	-19.3	0	0	0	111	K145 N146 F153 L221	K145-D149 IonicContact NZ-OD1 3.71Å; K145-D149 PolarHBondContact NZ-OD1 2.75Å; K145-D149 VanDerWaalsContact NZ-OD1 3.11Å; K145-D149 IonicContact NZ-OD2 2.76Å; K145-D149 PolarHBondContact NZ-OD2 2.85Å; K145-D149 VanDerWaalsContact O-CG 3.32Å; K145-D149 PolarHBondContact O-N 3.03Å; N146-D149 PolarHBondContact O-N 3.19Å; D149-F153 WeakPolarHBondContact O-CB 3.43Å; D149-F153 PolarHBondContact O-N 2.99Å; D149-L221 HydrophobicContact CB-CD1 4.44Å
150	F	97.4	Very high	96.4	Very high	33 Å²	33	56.3 Å²	56.3	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-50.5	174.4	-178.2	-81.5	0	0	0	111.8	N146 A148 F153 Y154 L221 V222 I224 Y225 D399	N146-F150 VanDerWaalsContact O-CB 3.22Å; N146-F150 WeakPolarHBondContact O-CB 3.49Å; N146-F150 PolarHBondContact O-N 3.31Å; A148-F150 PolarHBondContact O-N 3.29Å; F150-F153 PolarHBondContact O-N 3.14Å; F150-Y154 AromaticContact CD1-CD2 3.93Å; F150-Y154 HydrophobicContact CD1-CD2 3.93Å; F150-Y154 HydrophobicContact CD1-CE2 4.24Å; F150-Y154 HydrophobicContact CD2-CD2 4.49Å; F150-Y154 HydrophobicContact CD2-CE2 4.12Å; F150-Y154 AromaticContact CE1-CD2 3.61Å; F150-Y154 HydrophobicContact CE1-CD2 3.61Å; F150-Y154 AromaticContact CE1-CE2 3.68Å; F150-Y154 HydrophobicContact CE1-CE2 3.68Å; F150-Y154 HydrophobicContact CE2-CD2 4.25Å; F150-Y154 AromaticContact CE2-CE2 3.59Å; F150-Y154 HydrophobicContact CE2-CE2 3.59Å; F150-Y154 HydrophobicContact CG-CD2 4.36Å; F150-Y154 HydrophobicContact CG-CE2 4.44Å; F150-Y154 AromaticContact CZ-CD2 3.79Å; F150-Y154 HydrophobicContact CZ-CD2 3.79Å; F150-Y154 AromaticContact CZ-CE2 3.32Å; F150-Y154 HydrophobicContact CZ-CE2 3.32Å; F150-Y154 WeakPolarHBondContact O-CD2 3.29Å; F150-Y154 PolarHBondContact O-N 3.46Å; F150-L221 HydrophobicContact CD2-CD2 3.85Å; F150-L221 HydrophobicContact CD2-CG 4.33Å; F150-L221 HydrophobicContact CG-CD2 4.42Å; F150-V222 WeakPolarHBondContact CD2-O 3.43Å; F150-I224 HydrophobicContact CB-CD1 3.88Å; F150-I224 HydrophobicContact CB-CG1 4.25Å; F150-I224 HydrophobicContact CB-CG2 4.21Å; F150-I224 HydrophobicContact CD1-CD1 3.41Å; F150-I224 VanDerWaalsContact CD1-CD1 3.41Å; F150-I224 HydrophobicContact CD1-CG1 3.78Å; F150-I224 HydrophobicContact CD2-CD1 4.21Å; F150-I224 HydrophobicContact CD2-CG1 3.76Å; F150-I224 HydrophobicContact CD2-CG2 4.4Å; F150-I224 HydrophobicContact CE1-CD1 3.94Å; F150-I224 HydrophobicContact CE1-CG1 4Å; F150-I224 HydrophobicContact CE2-CG1 3.91Å; F150-I224 HydrophobicContact CG-CD1 3.58Å; F150-I224 HydrophobicContact CG-CG1 3.67Å; F150-I224 HydrophobicContact CG-CG2 4.41Å; F150-I224 HydrophobicContact CZ-CG1 4.06Å; F150-Y225 HydrophobicContact CE2-CD1 4.01Å; F150-Y225 HydrophobicContact CE2-CE1 4.42Å; F150-Y225 HydrophobicContact CZ-CD1 4.16Å; F150-D399 WeakPolarHBondContact CE2-OD1 3.43Å
151	H	97.1	Very high	96.5	Very high	66 Å²	66	57.4 Å²	57.4	31%	0.306	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-46	-179.9	175.6	-107.5	0	0	0	111.8	Y83 A147 A148 F153 Y154 Y155	Y83-H151 AromaticContact CE1-CE1 3.8Å; Y83-H151 AromaticContact CE1-NE2 3.78Å; Y83-H151 AromaticContact CZ-CE1 3.95Å; Y83-H151 AromaticContact CZ-NE2 3.45Å; Y83-H151 PolarHBondContact OH-CE1 2.72Å; Y83-H151 PolarHBondContact OH-NE2 3.4Å; A147-H151 VanDerWaalsContact O-CB 3.23Å; A147-H151 WeakPolarHBondContact O-CB 3.39Å; A147-H151 PolarHBondContact O-N 2.99Å; A148-H151 PolarHBondContact O-N 2.64Å; H151-F153 VanDerWaalsContact C-N 3.34Å; H151-F153 PolarHBondContact O-N 3.04Å; H151-Y154 PolarHBondContact O-N 3.3Å; H151-Y155 WeakPolarHBondContact O-CB 3.3Å; H151-Y155 PolarHBondContact O-N 2.81Å
152	Q	98	Very high	96.5	Very high	94 Å²	94	56.3 Å²	56.3	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-44.8	178.5	-173.9	63.5	51.4	0	0	111.5	A148 Y154 Y155 D156	A148-Q152 VanDerWaalsContact O-CB 3.28Å; A148-Q152 WeakPolarHBondContact O-CB 3.39Å; A148-Q152 PolarHBondContact O-N 3.39Å; Q152-Y154 PolarHBondContact O-N 2.91Å; Q152-Y155 PolarHBondContact O-N 3.36Å; Q152-D156 PolarHBondContact NE2-OD1 2.92Å; Q152-D156 PolarHBondContact NE2-OD2 3.44Å; Q152-D156 VanDerWaalsContact NE2-OD2 3.08Å; Q152-D156 WeakPolarHBondContact O-CB 3.18Å; Q152-D156 VanDerWaalsContact O-CG 3.29Å; Q152-D156 PolarHBondContact O-N 2.93Å
153	F	98.4	Very high	96.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-56.6	-49.5	177.1	168.7	-92.7	0	0	0	112.1	D149 F150 H151 D156 A157 L214 Q217 L221 A402 A406	D149-F153 WeakPolarHBondContact O-CB 3.43Å; D149-F153 PolarHBondContact O-N 2.99Å; F150-F153 PolarHBondContact O-N 3.14Å; H151-F153 VanDerWaalsContact C-N 3.34Å; H151-F153 PolarHBondContact O-N 3.04Å; F153-D156 PolarHBondContact O-N 3.2Å; F153-A157 WeakPolarHBondContact O-CB 3.48Å; F153-A157 PolarHBondContact O-N 2.75Å; F153-L214 HydrophobicContact CD2-CD2 3.89Å; F153-L214 HydrophobicContact CE2-CB 4.11Å; F153-L214 HydrophobicContact CE2-CD2 4.05Å; F153-L214 WeakPolarHBondContact CE2-O 3.44Å; F153-Q217 HydrophobicContact CD2-CB 4.35Å; F153-L221 HydrophobicContact CB-CD1 3.83Å; F153-L221 HydrophobicContact CB-CD2 4.08Å; F153-L221 HydrophobicContact CD1-CD2 3.71Å; F153-L221 HydrophobicContact CE1-CD2 4.39Å; F153-L221 HydrophobicContact CG-CD1 4.29Å; F153-L221 HydrophobicContact CG-CD2 3.89Å; F153-A402 HydrophobicContact CD1-CB 4.06Å; F153-A402 HydrophobicContact CE1-CB 3.51Å; F153-A402 HydrophobicContact CZ-CB 3.95Å; F153-A402 VanDerWaalsContact CZ-O 3.28Å; F153-A402 WeakPolarHBondContact CZ-O 3.43Å; F153-A406 HydrophobicContact CE2-CB 4.16Å; F153-A406 HydrophobicContact CZ-CB 4.02Å
154	Y	98.1	Very high	96.5	Very high	61 Å²	61	54.1 Å²	54.1	24%	0.239	26%	0.264	C	S	.	.	H	α-helix	trans	-70.4	-35	-178.2	-84.4	-81.7	0	0	0	112.7	F150 H151 Q152 R158 L221 A402 K405	F150-Y154 AromaticContact CD1-CD2 3.93Å; F150-Y154 HydrophobicContact CD1-CD2 3.93Å; F150-Y154 HydrophobicContact CD1-CE2 4.24Å; F150-Y154 HydrophobicContact CD2-CD2 4.49Å; F150-Y154 HydrophobicContact CD2-CE2 4.12Å; F150-Y154 AromaticContact CE1-CD2 3.61Å; F150-Y154 HydrophobicContact CE1-CD2 3.61Å; F150-Y154 AromaticContact CE1-CE2 3.68Å; F150-Y154 HydrophobicContact CE1-CE2 3.68Å; F150-Y154 HydrophobicContact CE2-CD2 4.25Å; F150-Y154 AromaticContact CE2-CE2 3.59Å; F150-Y154 HydrophobicContact CE2-CE2 3.59Å; F150-Y154 HydrophobicContact CG-CD2 4.36Å; F150-Y154 HydrophobicContact CG-CE2 4.44Å; F150-Y154 AromaticContact CZ-CD2 3.79Å; F150-Y154 HydrophobicContact CZ-CD2 3.79Å; F150-Y154 AromaticContact CZ-CE2 3.32Å; F150-Y154 HydrophobicContact CZ-CE2 3.32Å; F150-Y154 WeakPolarHBondContact O-CD2 3.29Å; F150-Y154 PolarHBondContact O-N 3.46Å; H151-Y154 PolarHBondContact O-N 3.3Å; Q152-Y154 PolarHBondContact O-N 2.91Å; Y154-R158 PolarHBondContact O-N 2.93Å; Y154-R158 VanDerWaalsContact O-N 3.1Å; Y154-L221 HydrophobicContact CE2-CD2 4.41Å; Y154-A402 HydrophobicContact CE2-CB 4.34Å; Y154-A402 PolarHBondContact OH-N 3.26Å; Y154-K405 HydrophobicContact CD1-CD 3.8Å; Y154-K405 HydrophobicContact CE1-CD 3.51Å
155	Y	98.1	Very high	96.3	Very high	107 Å²	107	57.9 Å²	57.9	42%	0.42	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-51.5	172.4	178.7	-92.3	0	0	0	110.9	Y83 H151 Q152 A157 R158 H159	Y83-Y155 AromaticContact CE1-CD2 3.98Å; Y83-Y155 HydrophobicContact CE1-CD2 3.98Å; Y83-Y155 HydrophobicContact CE1-CE2 4.16Å; H151-Y155 WeakPolarHBondContact O-CB 3.3Å; H151-Y155 PolarHBondContact O-N 2.81Å; Q152-Y155 PolarHBondContact O-N 3.36Å; Y155-A157 VanDerWaalsContact C-N 3.33Å; Y155-A157 PolarHBondContact O-N 2.97Å; Y155-R158 PolarHBondContact O-N 3.47Å; Y155-H159 WeakPolarHBondContact O-CB 3.39Å; Y155-H159 PolarHBondContact O-N 3.08Å
156	D	98.5	Very high	96.2	Very high	27 Å²	27	55.6 Å²	55.6	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-38.6	-178.8	-72.5	-21.1	0	0	0	112.3	Q152 F153 H159 L160 R210 L214	Q152-D156 PolarHBondContact NE2-OD1 2.92Å; Q152-D156 PolarHBondContact NE2-OD2 3.44Å; Q152-D156 VanDerWaalsContact NE2-OD2 3.08Å; Q152-D156 WeakPolarHBondContact O-CB 3.18Å; Q152-D156 VanDerWaalsContact O-CG 3.29Å; Q152-D156 PolarHBondContact O-N 2.93Å; F153-D156 PolarHBondContact O-N 3.2Å; D156-H159 PolarHBondContact O-N 2.9Å; D156-L160 VanDerWaalsContact O-CB 3.3Å; D156-L160 WeakPolarHBondContact O-CB 3.5Å; D156-L160 PolarHBondContact O-N 2.75Å; D156-R210 VanDerWaalsContact CB-NH2 3.35Å; D156-R210 IonicContact OD2-CZ 2.75Å; D156-R210 IonicContact OD2-NH2 3.34Å; D156-R210 PolarHBondContact OD2-NH2 3.17Å; D156-L214 HydrophobicContact CB-CD2 3.89Å
157	A	97.9	Very high	96	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-45.5	174.6	0	0	0	0	0	111.7	F153 Y155 L160 E161 L214 L409	F153-A157 WeakPolarHBondContact O-CB 3.48Å; F153-A157 PolarHBondContact O-N 2.75Å; Y155-A157 VanDerWaalsContact C-N 3.33Å; Y155-A157 PolarHBondContact O-N 2.97Å; A157-L160 PolarHBondContact O-N 2.97Å; A157-E161 WeakPolarHBondContact O-CG 3.07Å; A157-E161 PolarHBondContact O-N 3.01Å; A157-L214 HydrophobicContact CB-CD1 4.1Å; A157-L409 HydrophobicContact CB-CD2 4.25Å
158	R	97.1	Very high	95.7	Very high	135 Å²	135	56.4 Å²	56.4	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-67.4	-38.7	177	177.1	56.7	61.5	71.8	4.6	112.3	Y154 Y155 L160 E161 T162	Y154-R158 PolarHBondContact O-N 2.93Å; Y154-R158 VanDerWaalsContact O-N 3.1Å; Y155-R158 PolarHBondContact O-N 3.47Å; R158-L160 VanDerWaalsContact C-N 3.3Å; R158-L160 PolarHBondContact O-N 3.24Å; R158-E161 WeakPolarHBondContact CD-OE2 3.1Å; R158-E161 IonicContact NE-OE2 3.45Å; R158-E161 PolarHBondContact NE-OE2 3.3Å; R158-E161 WeakPolarHBondContact O-CB 3.4Å; R158-E161 PolarHBondContact O-N 3.38Å; R158-T162 PolarHBondContact O-N 3.35Å; R158-T162 PolarHBondContact O-OG1 3.17Å
159	H	96.2	Very high	95.3	Very high	64 Å²	64	58.6 Å²	58.6	30%	0.296	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-42.3	176	-177.9	71.5	0	0	0	110.8	Y155 D156 T162 K163	Y155-H159 WeakPolarHBondContact O-CB 3.39Å; Y155-H159 PolarHBondContact O-N 3.08Å; D156-H159 PolarHBondContact O-N 2.9Å; H159-T162 WeakPolarHBondContact O-CB 3.48Å; H159-T162 PolarHBondContact O-N 2.74Å; H159-K163 WeakPolarHBondContact NE2-CE 3.46Å; H159-K163 PolarHBondContact NE2-NZ 3.06Å; H159-K163 PolarHBondContact O-N 2.78Å
160	L	96.9	Very high	95	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-66.7	-40.9	177	-165	64.2	0	0	0	112.8	D156 A157 R158 T162 K163 L164 V207 R210 L214 L409 I413	D156-L160 VanDerWaalsContact O-CB 3.3Å; D156-L160 WeakPolarHBondContact O-CB 3.5Å; D156-L160 PolarHBondContact O-N 2.75Å; A157-L160 PolarHBondContact O-N 2.97Å; R158-L160 VanDerWaalsContact C-N 3.3Å; R158-L160 PolarHBondContact O-N 3.24Å; L160-T162 VanDerWaalsContact C-N 3.26Å; L160-T162 PolarHBondContact O-N 3.13Å; L160-K163 PolarHBondContact O-N 3.1Å; L160-L164 PolarHBondContact O-N 3.07Å; L160-V207 HydrophobicContact CD1-CB 4.16Å; L160-V207 HydrophobicContact CD1-CG1 3.73Å; L160-V207 HydrophobicContact CD1-CG2 4.12Å; L160-V207 HydrophobicContact CD2-CG1 4.42Å; L160-V207 HydrophobicContact CG-CG1 3.95Å; L160-R210 HydrophobicContact CD1-CB 3.96Å; L160-R210 HydrophobicContact CD1-CG 3.92Å; L160-R210 HydrophobicContact CD2-CB 4.15Å; L160-R210 HydrophobicContact CD2-CG 4.03Å; L160-L214 HydrophobicContact CD2-CD1 3.78Å; L160-L409 HydrophobicContact CB-CD2 4.3Å; L160-L409 HydrophobicContact CD2-CD2 4.05Å; L160-I413 HydrophobicContact CD2-CD1 4.08Å
161	E	94.9	Very high	94.7	Very high	61 Å²	61	57.7 Å²	57.7	29%	0.285	26%	0.256	S	S	.	.	H	α-helix	trans	-54.2	-44.5	171	-75	166.2	-173.6	0	0	111	A157 R158 L164 Y165 K405 L409	A157-E161 WeakPolarHBondContact O-CG 3.07Å; A157-E161 PolarHBondContact O-N 3.01Å; R158-E161 WeakPolarHBondContact CD-OE2 3.1Å; R158-E161 IonicContact NE-OE2 3.45Å; R158-E161 PolarHBondContact NE-OE2 3.3Å; R158-E161 WeakPolarHBondContact O-CB 3.4Å; R158-E161 PolarHBondContact O-N 3.38Å; E161-L164 PolarHBondContact O-N 3.13Å; E161-Y165 PolarHBondContact O-N 3.31Å; E161-K405 IonicContact OE1-NZ 2.69Å; E161-K405 PolarHBondContact OE1-NZ 3.46Å; E161-K405 IonicContact OE2-NZ 3.22Å; E161-L409 HydrophobicContact CG-CD1 3.64Å; E161-L409 HydrophobicContact CG-CD2 4.32Å
162	T	94.4	Very high	94.3	Very high	64 Å²	64	57.5 Å²	57.5	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-45.2	179.7	-52.3	0	0	0	0	111.3	R158 H159 L160 L164 Y165 D166	R158-T162 PolarHBondContact O-N 3.35Å; R158-T162 PolarHBondContact O-OG1 3.17Å; H159-T162 WeakPolarHBondContact O-CB 3.48Å; H159-T162 PolarHBondContact O-N 2.74Å; L160-T162 VanDerWaalsContact C-N 3.26Å; L160-T162 PolarHBondContact O-N 3.13Å; T162-L164 VanDerWaalsContact C-N 3.29Å; T162-L164 PolarHBondContact O-N 2.96Å; T162-Y165 WeakPolarHBondContact O-CB 2.82Å; T162-Y165 PolarHBondContact O-N 2.86Å; T162-Y165 VanDerWaalsContact O-N 3.14Å; T162-D166 PolarHBondContact O-N 3.34Å
163	K	94.7	Very high	93.9	Very high	37 Å²	37	60 Å²	60	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-36	175.3	-82.1	-179.2	162.2	159.7	0	113.1	H159 L160 R167 H203 Y206	H159-K163 WeakPolarHBondContact NE2-CE 3.46Å; H159-K163 PolarHBondContact NE2-NZ 3.06Å; H159-K163 PolarHBondContact O-N 2.78Å; L160-K163 PolarHBondContact O-N 3.1Å; K163-R167 WeakPolarHBondContact O-CB 3.5Å; K163-R167 PolarHBondContact O-N 3.05Å; K163-R167 VanDerWaalsContact O-N 3.15Å; K163-H203 PolarHBondContact O-NE2 3.44Å; K163-H203 VanDerWaalsContact O-NE2 3.12Å; K163-Y206 HydrophobicContact CD-CE1 3.99Å; K163-Y206 PolarHBondContact NZ-OH 3.13Å; K163-Y206 VanDerWaalsContact NZ-OH 3.1Å
164	L	93.4	Very high	93.4	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-45.3	174.4	-178.6	67.3	0	0	0	111	L160 E161 T162 D166 R167 H168 L204 V412 I413	L160-L164 PolarHBondContact O-N 3.07Å; E161-L164 PolarHBondContact O-N 3.13Å; T162-L164 VanDerWaalsContact C-N 3.29Å; T162-L164 PolarHBondContact O-N 2.96Å; L164-D166 PolarHBondContact O-N 3.1Å; L164-R167 PolarHBondContact O-N 3.03Å; L164-H168 PolarHBondContact O-N 3.03Å; L164-L204 HydrophobicContact CD1-CD2 4.32Å; L164-V412 HydrophobicContact CD2-CG1 4Å; L164-I413 HydrophobicContact CD1-CG1 4.47Å; L164-I413 HydrophobicContact CD2-CG1 3.81Å
165	Y	91.2	Very high	92.8	Very high	150 Å²	150	62.2 Å²	62.2	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-59	-47.6	177.8	177	-96.3	0	0	0	112.1	E161 T162 R167 H168 K169	E161-Y165 PolarHBondContact O-N 3.31Å; T162-Y165 WeakPolarHBondContact O-CB 2.82Å; T162-Y165 PolarHBondContact O-N 2.86Å; T162-Y165 VanDerWaalsContact O-N 3.14Å; Y165-R167 VanDerWaalsContact C-N 3.33Å; Y165-R167 PolarHBondContact O-N 3.13Å; Y165-H168 WeakPolarHBondContact O-CB 3.15Å; Y165-H168 PolarHBondContact O-N 3.22Å; Y165-K169 PolarHBondContact O-N 3.26Å
166	D	92.7	Very high	92.1	Very high	74 Å²	74	58.6 Å²	58.6	40%	0.396	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-39.5	178.8	-70.9	-24	0	0	0	111.7	T162 L164 H168 K169 K170	T162-D166 PolarHBondContact O-N 3.34Å; L164-D166 PolarHBondContact O-N 3.1Å; D166-H168 PolarHBondContact O-N 3.42Å; D166-K169 PolarHBondContact O-N 3.19Å; D166-K170 WeakPolarHBondContact O-CG 3.43Å; D166-K170 PolarHBondContact O-N 3.08Å
167	R	91.9	Very high	91.6	Very high	12 Å²	12	62.5 Å²	62.5	5%	0.045	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-43.4	173.6	-177.7	58.4	56	173.5	0.3	111.6	K163 L164 Y165 K170 F171 S199 Q200 H203 L204 D315	K163-R167 WeakPolarHBondContact O-CB 3.5Å; K163-R167 PolarHBondContact O-N 3.05Å; K163-R167 VanDerWaalsContact O-N 3.15Å; L164-R167 PolarHBondContact O-N 3.03Å; Y165-R167 VanDerWaalsContact C-N 3.33Å; Y165-R167 PolarHBondContact O-N 3.13Å; R167-K170 PolarHBondContact O-N 3.44Å; R167-F171 WeakPolarHBondContact O-CB 3.29Å; R167-F171 PolarHBondContact O-N 3.01Å; R167-S199 PolarHBondContact NH1-OG 3.36Å; R167-S199 VanDerWaalsContact NH1-OG 3.08Å; R167-Q200 VanDerWaalsContact CD-OE1 3.23Å; R167-H203 WeakPolarHBondContact CB-NE2 3.4Å; R167-H203 VanDerWaalsContact CG-CD2 3.46Å; R167-H203 WeakPolarHBondContact CG-CD2 3.44Å; R167-H203 VanDerWaalsContact CZ-CB 3.41Å; R167-H203 VanDerWaalsContact CZ-CG 3.45Å; R167-H203 VanDerWaalsContact NE-CB 3.35Å; R167-H203 PolarHBondContact NE-CD2 3.28Å; R167-H203 VanDerWaalsContact NE-CD2 3.27Å; R167-H203 PolarHBondContact NE-ND1 3.33Å; R167-H203 VanDerWaalsContact NH2-CG 3.29Å; R167-H203 PolarHBondContact NH2-ND1 2.85Å; R167-L204 HydrophobicContact CG-CD2 4.46Å; R167-D315 IonicContact NH2-OD2 2.64Å
168	H	88.5	Confident	90.9	Very high	59 Å²	59	63 Å²	63	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-40.6	176.9	-171.7	81	0	0	0	111.9	L164 Y165 D166 F171 L172 Y419	L164-H168 PolarHBondContact O-N 3.03Å; Y165-H168 WeakPolarHBondContact O-CB 3.15Å; Y165-H168 PolarHBondContact O-N 3.22Å; D166-H168 PolarHBondContact O-N 3.42Å; H168-F171 WeakPolarHBondContact O-CB 3.33Å; H168-F171 PolarHBondContact O-N 2.76Å; H168-L172 WeakPolarHBondContact O-CG 3.42Å; H168-L172 PolarHBondContact O-N 3.27Å; H168-Y419 AromaticContact CE1-CD1 3.99Å; H168-Y419 AromaticContact CE1-CE1 3.72Å
169	K	89	Confident	89.8	Confident	99 Å²	99	58.9 Å²	58.9	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-47.7	174.5	-173.9	-179.6	177.5	-176.3	0	111.9	Y165 D166 F171 L172 Y173	Y165-K169 PolarHBondContact O-N 3.26Å; D166-K169 PolarHBondContact O-N 3.19Å; K169-F171 VanDerWaalsContact C-N 3.25Å; K169-F171 PolarHBondContact O-N 3Å; K169-L172 PolarHBondContact O-N 2.9Å; K169-Y173 PolarHBondContact O-N 3.01Å; K169-Y173 VanDerWaalsContact O-N 3.17Å
170	K	91.1	Very high	88.8	Confident	82 Å²	82	63.3 Å²	63.3	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-37.9	174.2	-72.3	-179.9	-178.2	-174.5	0	111.3	D166 R167 N174 D315	D166-K170 WeakPolarHBondContact O-CG 3.43Å; D166-K170 PolarHBondContact O-N 3.08Å; R167-K170 PolarHBondContact O-N 3.44Å; K170-N174 PolarHBondContact O-N 2.83Å; K170-N174 PolarHBondContact O-ND2 3.06Å; K170-D315 IonicContact NZ-OD1 3.34Å; K170-D315 IonicContact NZ-OD2 3.14Å; K170-D315 PolarHBondContact NZ-OD2 3.49Å
171	F	91	Very high	87.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-51.5	176.4	173.4	-94.6	0	0	0	111.8	R167 H168 K169 Y173 N174 R175 W196 Y419 I420 E423 Q424	R167-F171 WeakPolarHBondContact O-CB 3.29Å; R167-F171 PolarHBondContact O-N 3.01Å; H168-F171 WeakPolarHBondContact O-CB 3.33Å; H168-F171 PolarHBondContact O-N 2.76Å; K169-F171 VanDerWaalsContact C-N 3.25Å; K169-F171 PolarHBondContact O-N 3Å; F171-Y173 VanDerWaalsContact C-N 3.32Å; F171-Y173 PolarHBondContact O-N 3.12Å; F171-N174 PolarHBondContact O-N 3.31Å; F171-R175 PolarHBondContact O-N 3.49Å; F171-W196 AromaticContact CD2-CH2 3.88Å; F171-W196 HydrophobicContact CD2-CH2 3.88Å; F171-W196 AromaticContact CD2-CZ2 3.4Å; F171-W196 HydrophobicContact CD2-CZ2 3.4Å; F171-W196 VanDerWaalsContact CD2-CZ2 3.4Å; F171-W196 AromaticContact CE2-CH2 3.44Å; F171-W196 HydrophobicContact CE2-CH2 3.44Å; F171-W196 VanDerWaalsContact CE2-CH2 3.44Å; F171-W196 AromaticContact CE2-CZ2 3.49Å; F171-W196 HydrophobicContact CE2-CZ2 3.49Å; F171-W196 VanDerWaalsContact CE2-CZ2 3.49Å; F171-W196 HydrophobicContact CG-CZ2 4.4Å; F171-W196 HydrophobicContact CZ-CH2 4.34Å; F171-Y419 HydrophobicContact CE1-CE1 4.09Å; F171-I420 HydrophobicContact CD1-CG1 4.19Å; F171-I420 HydrophobicContact CD2-CB 4.49Å; F171-I420 HydrophobicContact CD2-CG1 4.02Å; F171-I420 HydrophobicContact CD2-CG2 3.92Å; F171-I420 HydrophobicContact CE1-CG1 4.35Å; F171-I420 HydrophobicContact CE2-CB 4.32Å; F171-I420 HydrophobicContact CE2-CG1 4.2Å; F171-I420 HydrophobicContact CE2-CG2 3.77Å; F171-I420 HydrophobicContact CG-CD1 4.44Å; F171-I420 HydrophobicContact CG-CG1 4.04Å; F171-I420 HydrophobicContact CZ-CG1 4.38Å; F171-I420 HydrophobicContact CZ-CG2 4.47Å; F171-E423 HydrophobicContact CE1-CB 4.06Å; F171-E423 HydrophobicContact CE1-CG 4.42Å; F171-E423 HydrophobicContact CZ-CB 3.52Å; F171-E423 HydrophobicContact CZ-CG 4.35Å; F171-Q424 HydrophobicContact CE2-CG 3.89Å
172	L	88.5	Confident	86	Confident	62 Å²	62	69.1 Å²	69.1	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-40.1	-179.2	-70.4	175.5	0	0	0	112.8	H168 K169 R175 G176	H168-L172 WeakPolarHBondContact O-CG 3.42Å; H168-L172 PolarHBondContact O-N 3.27Å; K169-L172 PolarHBondContact O-N 2.9Å; L172-R175 PolarHBondContact O-N 3.43Å; L172-G176 PolarHBondContact O-N 3.33Å
173	Y	88.9	Confident	84.6	Confident	148 Å²	148	66.6 Å²	66.6	58%	0.58	32%	0.315	S	S	*	.	H	α-helix	trans	-61.2	-49	175.3	174.9	-104.6	0	0	0	111.9	K169 F171 R175 G176 R177	K169-Y173 PolarHBondContact O-N 3.01Å; K169-Y173 VanDerWaalsContact O-N 3.17Å; F171-Y173 VanDerWaalsContact C-N 3.32Å; F171-Y173 PolarHBondContact O-N 3.12Å; Y173-R175 PolarHBondContact O-N 3.14Å; Y173-G176 PolarHBondContact O-N 2.88Å; Y173-R177 HydrophobicContact CE1-CG 4.35Å; Y173-R177 PolarHBondContact O-N 3.41Å
174	N	88.3	Confident	83.1	Confident	29 Å²	29	70.7 Å²	70.7	16%	0.155	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-35.3	179.8	-76.7	-59.1	0	0	0	112.5	K170 F171 G176 R177 F178 W196	K170-N174 PolarHBondContact O-N 2.83Å; K170-N174 PolarHBondContact O-ND2 3.06Å; F171-N174 PolarHBondContact O-N 3.31Å; N174-G176 VanDerWaalsContact C-N 3.32Å; N174-G176 PolarHBondContact O-N 3.05Å; N174-R177 PolarHBondContact O-N 3.48Å; N174-F178 HydrophobicContact CB-CD2 4.34Å; N174-F178 HydrophobicContact CB-CE2 4.27Å; N174-F178 WeakPolarHBondContact O-CD2 3.44Å; N174-F178 PolarHBondContact O-N 3.49Å; N174-W196 HydrophobicContact CB-CZ2 3.93Å; N174-W196 VanDerWaalsContact CB-NE1 3.31Å
175	R	86.1	Confident	82	Confident	82 Å²	82	77.6 Å²	77.6	31%	0.309	36%	0.361	S	S	.	.	H	α-helix	trans	-55.4	-47.1	173.5	179.7	-177.3	73.8	176.6	-1.3	111.6	F171 L172 Y173 F178 A179 Y419 E423 I427	F171-R175 PolarHBondContact O-N 3.49Å; L172-R175 PolarHBondContact O-N 3.43Å; Y173-R175 PolarHBondContact O-N 3.14Å; R175-F178 PolarHBondContact O-N 2.92Å; R175-A179 WeakPolarHBondContact O-CB 3.19Å; R175-A179 PolarHBondContact O-N 3Å; R175-A179 VanDerWaalsContact O-N 3.09Å; R175-Y419 PolarHBondContact NH1-OH 3.34Å; R175-E423 VanDerWaalsContact CD-OE2 3.28Å; R175-E423 WeakPolarHBondContact CD-OE2 3.34Å; R175-E423 IonicContact CZ-OE2 3.91Å; R175-E423 IonicContact NE-OE2 3.06Å; R175-E423 IonicContact NH1-OE2 2.66Å; R175-E423 PolarHBondContact NH1-OE2 3.22Å; R175-I427 HydrophobicContact CB-CD1 4.23Å; R175-I427 HydrophobicContact CG-CD1 4.02Å
176	G	83.8	Confident	81.4	Confident	30 Å²	30	71.8 Å²	71.8	31%	0.309	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-47.3	176.7	0	0	0	0	0	112	L172 Y173 N174 F178 A179 E180	L172-G176 PolarHBondContact O-N 3.33Å; Y173-G176 PolarHBondContact O-N 2.88Å; N174-G176 VanDerWaalsContact C-N 3.32Å; N174-G176 PolarHBondContact O-N 3.05Å; G176-F178 PolarHBondContact O-N 3.12Å; G176-A179 PolarHBondContact O-N 3.18Å; G176-E180 WeakPolarHBondContact O-CG 3.36Å; G176-E180 PolarHBondContact O-N 3.47Å
177	R	86.5	Confident	80.9	Confident	109 Å²	109	69.4 Å²	69.4	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-59.3	-43.7	177.5	-73.1	-170.4	62.3	-126.9	-6.3	113.6	Y173 N174 A179 E180 M181 E192	Y173-R177 HydrophobicContact CE1-CG 4.35Å; Y173-R177 PolarHBondContact O-N 3.41Å; N174-R177 PolarHBondContact O-N 3.48Å; R177-A179 VanDerWaalsContact C-N 3.34Å; R177-E180 PolarHBondContact O-N 2.93Å; R177-M181 PolarHBondContact O-N 3.42Å; R177-E192 IonicContact NH2-OE2 3.56Å
178	F	84	Confident	80.6	Confident	10 Å²	10	73 Å²	73	4%	0.044	35%	0.346	C	S	.	.	H	α-helix	trans	-69.2	-32.9	179.2	-78.2	-67	0	0	0	112.3	N174 R175 G176 E180 M181 E192 L193 W196 I427	N174-F178 HydrophobicContact CB-CD2 4.34Å; N174-F178 HydrophobicContact CB-CE2 4.27Å; N174-F178 WeakPolarHBondContact O-CD2 3.44Å; N174-F178 PolarHBondContact O-N 3.49Å; R175-F178 PolarHBondContact O-N 2.92Å; G176-F178 PolarHBondContact O-N 3.12Å; F178-E180 VanDerWaalsContact C-N 3.33Å; F178-M181 HydrophobicContact CD1-CE 3.45Å; F178-M181 VanDerWaalsContact CD1-CE 3.45Å; F178-M181 HydrophobicContact CE1-CE 3.69Å; F178-M181 PolarHBondContact O-N 2.98Å; F178-E192 HydrophobicContact CZ-CB 4.48Å; F178-L193 HydrophobicContact CD1-CD1 4.04Å; F178-L193 HydrophobicContact CD2-CD1 4.36Å; F178-L193 HydrophobicContact CE1-CB 3.81Å; F178-L193 HydrophobicContact CE1-CD1 3.86Å; F178-L193 HydrophobicContact CE1-CG 4.42Å; F178-L193 HydrophobicContact CE2-CD1 4.18Å; F178-L193 HydrophobicContact CG-CD1 4.34Å; F178-L193 HydrophobicContact CZ-CB 4.17Å; F178-L193 HydrophobicContact CZ-CD1 3.95Å; F178-W196 HydrophobicContact CD2-CD2 4.37Å; F178-W196 HydrophobicContact CD2-CE3 4.23Å; F178-W196 HydrophobicContact CD2-CZ3 4.32Å; F178-W196 HydrophobicContact CE2-CB 4.11Å; F178-W196 AromaticContact CE2-CD2 3.71Å; F178-W196 HydrophobicContact CE2-CD2 3.71Å; F178-W196 AromaticContact CE2-CE3 3.8Å; F178-W196 HydrophobicContact CE2-CE3 3.8Å; F178-W196 AromaticContact CE2-CG 3.86Å; F178-W196 HydrophobicContact CE2-CG 3.86Å; F178-W196 HydrophobicContact CE2-CZ3 4.35Å; F178-W196 HydrophobicContact CZ-CB 4.19Å; F178-W196 HydrophobicContact CZ-CG 4.43Å; F178-I427 HydrophobicContact CB-CG2 3.7Å; F178-I427 HydrophobicContact CG-CG2 4.08Å
179	A	74.7	Confident	80.5	Confident	50 Å²	50	70.4 Å²	70.4	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-32	176.9	0	0	0	0	0	113.1	R175 G176 R177 Q430	R175-A179 WeakPolarHBondContact O-CB 3.19Å; R175-A179 PolarHBondContact O-N 3Å; R175-A179 VanDerWaalsContact O-N 3.09Å; G176-A179 PolarHBondContact O-N 3.18Å; R177-A179 VanDerWaalsContact C-N 3.34Å; A179-Q430 PolarHBondContact O-NE2 2.94Å
180	E	74.2	Confident	80.5	Confident	157 Å²	157	65.7 Å²	65.7	73%	0.734	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.6	-180	-68.3	173.5	-172.9	0	0	113.7	G176 R177 F178 N182	G176-E180 WeakPolarHBondContact O-CG 3.36Å; G176-E180 PolarHBondContact O-N 3.47Å; R177-E180 PolarHBondContact O-N 2.93Å; F178-E180 VanDerWaalsContact C-N 3.33Å; E180-N182 PolarHBondContact O-N 3.2Å
181	M	70.8	Confident	80.6	Confident	39 Å²	39	65.8 Å²	65.8	19%	0.192	32%	0.315	C	S	.	.			trans	-76.3	114.1	-173.7	-172.2	159.3	52.9	0	0	110.8	R177 F178 H183 S189	R177-M181 PolarHBondContact O-N 3.42Å; F178-M181 HydrophobicContact CD1-CE 3.45Å; F178-M181 VanDerWaalsContact CD1-CE 3.45Å; F178-M181 HydrophobicContact CE1-CE 3.69Å; F178-M181 PolarHBondContact O-N 2.98Å; M181-H183 VanDerWaalsContact CE-CE1 3.48Å; M181-H183 WeakPolarHBondContact CE-CE1 3.47Å; M181-H183 WeakPolarHBondContact CE-ND1 3.44Å; M181-H183 PolarHBondContact O-CD2 2.93Å; M181-H183 PolarHBondContact O-N 3.44Å; M181-H183 PolarHBondContact O-NE2 3.33Å; M181-S189 VanDerWaalsContact CE-CB 3.46Å; M181-S189 WeakPolarHBondContact CE-OG 3.42Å; M181-S189 PolarHBondContact SD-OG 3.2Å
182	N	63.3	Low	80.6	Confident	145 Å²	145	69.7 Å²	69.7	78%	0.775	33%	0.334	S	S	*	.			trans	-64.8	-2.5	176.9	-70.4	-17.7	0	0	0	114.4	E180 E184	E180-N182 PolarHBondContact O-N 3.2Å; N182-E184 PolarHBondContact O-N 3.42Å
183	H	64.6	Low	80.8	Confident	11 Å²	11	66.8 Å²	66.8	5%	0.051	32%	0.318	C	S	.	.			trans	48.3	28.9	-179	-55.2	-49.8	0	0	0	115.1	M181 Y185 Y186 F431 I434 R438	M181-H183 VanDerWaalsContact CE-CE1 3.48Å; M181-H183 WeakPolarHBondContact CE-CE1 3.47Å; M181-H183 WeakPolarHBondContact CE-ND1 3.44Å; M181-H183 PolarHBondContact O-CD2 2.93Å; M181-H183 PolarHBondContact O-N 3.44Å; M181-H183 PolarHBondContact O-NE2 3.33Å; H183-Y185 PolarHBondContact O-N 2.89Å; H183-Y185 VanDerWaalsContact O-N 3.13Å; H183-Y186 PolarHBondContact O-N 3.34Å; H183-F431 AromaticContact CE1-CD2 3.66Å; H183-F431 AromaticContact ND1-CD2 3.74Å; H183-F431 AromaticContact NE2-CD2 3.86Å; H183-I434 HydrophobicContact CB-CG2 4.07Å; H183-R438 PolarHBondContact O-NH1 2.83Å; H183-R438 VanDerWaalsContact O-NH1 3.12Å
184	E	62.8	Low	81.1	Confident	124 Å²	124	62.8 Å²	62.8	58%	0.579	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.8	178	-168.6	177.7	177.5	0	0	111.7	N182 R438	N182-E184 PolarHBondContact O-N 3.42Å; E184-R438 VanDerWaalsContact CA-NH1 3.31Å; E184-R438 PolarHBondContact O-NH1 3.44Å; E184-R438 PolarHBondContact O-NH2 3.49Å; E184-R438 VanDerWaalsContact O-NH2 3.15Å
185	Y	70.6	Confident	81.4	Confident	157 Å²	157	65.2 Å²	65.2	62%	0.616	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	68.8	173.4	-60.1	-79.9	0	0	0	111.2	H183 T187 N188 S189	H183-Y185 PolarHBondContact O-N 2.89Å; H183-Y185 VanDerWaalsContact O-N 3.13Å; Y185-T187 PolarHBondContact O-N 3.23Å; Y185-N188 PolarHBondContact O-N 3.29Å; Y185-S189 PolarHBondContact O-N 3.49Å; Y185-S189 VanDerWaalsContact O-N 3.11Å; Y185-S189 PolarHBondContact O-OG 2.85Å
186	Y	79.2	Confident	81.7	Confident	29 Å²	29	62.2 Å²	62.2	11%	0.114	30%	0.304	C	S	.	.	H	α-helix	trans	-51.4	-29.5	-177.4	64.3	-100.1	0	0	0	114.1	H183 S190 L435 I504 L506 F514	H183-Y186 PolarHBondContact O-N 3.34Å; Y186-S190 WeakPolarHBondContact O-CB 3.42Å; Y186-S190 PolarHBondContact O-N 3.3Å; Y186-S190 PolarHBondContact O-OG 3.08Å; Y186-L435 HydrophobicContact CD1-CD1 4.2Å; Y186-L435 HydrophobicContact CD2-CD1 3.93Å; Y186-L435 HydrophobicContact CG-CD1 3.64Å; Y186-I504 WeakPolarHBondContact OH-CG2 3.34Å; Y186-L506 HydrophobicContact CE2-CD2 4.21Å; Y186-F514 HydrophobicContact CD2-CE1 4.26Å; Y186-F514 AromaticContact CD2-CZ 3.7Å; Y186-F514 HydrophobicContact CD2-CZ 3.7Å; Y186-F514 HydrophobicContact CE2-CZ 4.02Å
187	T	80.2	Confident	82.3	Confident	23 Å²	23	60.8 Å²	60.8	14%	0.141	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-37.6	177	-52.1	0	0	0	0	113	Y185 S190 K191 E510	Y185-T187 PolarHBondContact O-N 3.23Å; T187-S190 PolarHBondContact O-OG 2.98Å; T187-S190 VanDerWaalsContact O-OG 3.1Å; T187-K191 WeakPolarHBondContact O-CG 3.47Å; T187-E510 HydrophobicContact CG2-CG 4.04Å; T187-E510 WeakPolarHBondContact CG2-OE1 3.34Å; T187-E510 PolarHBondContact OG1-OE1 3Å
188	N	85.7	Confident	82.8	Confident	87 Å²	87	61.6 Å²	61.6	47%	0.465	29%	0.292	S	S	.	.	H	α-helix	trans	-78.7	-47.2	176.4	-70	-13.4	0	0	0	110.1	Y185 S190 K191 E192	Y185-N188 PolarHBondContact O-N 3.29Å; N188-S190 VanDerWaalsContact C-N 3.26Å; N188-S190 PolarHBondContact O-N 2.97Å; N188-K191 PolarHBondContact O-N 3.24Å; N188-E192 PolarHBondContact O-N 3.32Å
189	S	86.6	Confident	83.3	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-54	-40.4	176.7	-60.9	0	0	0	0	113	M181 Y185 L193	M181-S189 VanDerWaalsContact CE-CB 3.46Å; M181-S189 WeakPolarHBondContact CE-OG 3.42Å; M181-S189 PolarHBondContact SD-OG 3.2Å; Y185-S189 PolarHBondContact O-N 3.49Å; Y185-S189 VanDerWaalsContact O-N 3.11Å; Y185-S189 PolarHBondContact O-OG 2.85Å; S189-L193 VanDerWaalsContact O-CB 3.26Å; S189-L193 WeakPolarHBondContact O-CB 3.31Å; S189-L193 PolarHBondContact O-N 3.46Å
190	S	90.4	Very high	84.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-71.2	-33.5	178.3	55.7	0	0	0	0	113.7	Y186 T187 N188 R194	Y186-S190 WeakPolarHBondContact O-CB 3.42Å; Y186-S190 PolarHBondContact O-N 3.3Å; Y186-S190 PolarHBondContact O-OG 3.08Å; T187-S190 PolarHBondContact O-OG 2.98Å; T187-S190 VanDerWaalsContact O-OG 3.1Å; N188-S190 VanDerWaalsContact C-N 3.26Å; N188-S190 PolarHBondContact O-N 2.97Å; S190-R194 VanDerWaalsContact O-CB 3.31Å; S190-R194 WeakPolarHBondContact O-CB 3.41Å; S190-R194 PolarHBondContact O-N 2.98Å
191	K	91.8	Very high	85.4	Confident	83 Å²	83	54.9 Å²	54.9	36%	0.361	26%	0.258	S	S	.	.	H	α-helix	trans	-68.6	-47.8	173.2	-70.3	173.1	-174.7	175	0	110.9	T187 N188 L193 R194 D195 I513	T187-K191 WeakPolarHBondContact O-CG 3.47Å; N188-K191 PolarHBondContact O-N 3.24Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 3.29Å; K191-R194 WeakPolarHBondContact O-CB 3.37Å; K191-R194 PolarHBondContact O-N 3.18Å; K191-D195 WeakPolarHBondContact O-CB 3.49Å; K191-D195 PolarHBondContact O-N 3.4Å; K191-I513 HydrophobicContact CD-CD1 4.34Å; K191-I513 HydrophobicContact CG-CD1 3.68Å
192	E	91.5	Very high	86.6	Confident	83 Å²	83	56 Å²	56	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-58	-45.6	176.4	-72.4	177.9	-140.1	0	0	111.1	R177 F178 N188 R194 D195 W196	R177-E192 IonicContact NH2-OE2 3.56Å; F178-E192 HydrophobicContact CZ-CB 4.48Å; N188-E192 PolarHBondContact O-N 3.32Å; E192-R194 PolarHBondContact O-N 2.83Å; E192-D195 PolarHBondContact O-N 3.26Å; E192-W196 VanDerWaalsContact O-CB 3.28Å; E192-W196 WeakPolarHBondContact O-CB 3.47Å; E192-W196 PolarHBondContact O-N 2.73Å
193	L	92.3	Very high	88.2	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-42.2	177.4	-175.1	61.2	0	0	0	111.8	F178 S189 K191 W196 L197 I427 F431 L517	F178-L193 HydrophobicContact CD1-CD1 4.04Å; F178-L193 HydrophobicContact CD2-CD1 4.36Å; F178-L193 HydrophobicContact CE1-CB 3.81Å; F178-L193 HydrophobicContact CE1-CD1 3.86Å; F178-L193 HydrophobicContact CE1-CG 4.42Å; F178-L193 HydrophobicContact CE2-CD1 4.18Å; F178-L193 HydrophobicContact CG-CD1 4.34Å; F178-L193 HydrophobicContact CZ-CB 4.17Å; F178-L193 HydrophobicContact CZ-CD1 3.95Å; S189-L193 VanDerWaalsContact O-CB 3.26Å; S189-L193 WeakPolarHBondContact O-CB 3.31Å; S189-L193 PolarHBondContact O-N 3.46Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 3.29Å; L193-W196 HydrophobicContact CD1-CE3 3.81Å; L193-W196 HydrophobicContact CD1-CZ3 4.12Å; L193-W196 PolarHBondContact O-N 3.07Å; L193-L197 HydrophobicContact CG-CD1 4.47Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.41Å; L193-L197 PolarHBondContact O-N 3.4Å; L193-I427 HydrophobicContact CD1-CG2 3.89Å; L193-F431 HydrophobicContact CD2-CB 4.11Å; L193-F431 HydrophobicContact CD2-CD1 4.11Å; L193-F431 HydrophobicContact CD2-CD2 4.46Å; L193-F431 HydrophobicContact CD2-CG 3.94Å; L193-L517 HydrophobicContact CB-CD2 4.02Å; L193-L517 HydrophobicContact CD2-CD1 4Å; L193-L517 HydrophobicContact CD2-CD2 4.12Å; L193-L517 HydrophobicContact CG-CD2 3.84Å
194	R	94.7	Very high	89.7	Confident	64 Å²	64	49.6 Å²	49.6	24%	0.242	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-48.5	177	177.3	-158.5	66.9	-156.3	-6.8	111.5	S190 K191 E192 W196 L197 R198 S516 L517	S190-R194 VanDerWaalsContact O-CB 3.31Å; S190-R194 WeakPolarHBondContact O-CB 3.41Å; S190-R194 PolarHBondContact O-N 2.98Å; K191-R194 WeakPolarHBondContact O-CB 3.37Å; K191-R194 PolarHBondContact O-N 3.18Å; E192-R194 PolarHBondContact O-N 2.83Å; R194-W196 VanDerWaalsContact C-N 3.26Å; R194-W196 PolarHBondContact O-N 3.12Å; R194-L197 PolarHBondContact O-N 3.46Å; R194-R198 WeakPolarHBondContact O-CB 3.5Å; R194-R198 PolarHBondContact O-N 3.43Å; R194-S516 WeakPolarHBondContact CD-OG 3.44Å; R194-S516 WeakPolarHBondContact CG-OG 3.41Å; R194-L517 VanDerWaalsContact CA-CD2 3.42Å; R194-L517 HydrophobicContact CB-CD2 3.65Å; R194-L517 VanDerWaalsContact N-CD2 3.31Å
195	D	94.7	Very high	91.3	Very high	80 Å²	80	45.7 Å²	45.7	43%	0.428	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-34.7	-177	-63.9	-17.9	0	0	0	110.4	K191 E192 S199	K191-D195 WeakPolarHBondContact O-CB 3.49Å; K191-D195 PolarHBondContact O-N 3.4Å; E192-D195 PolarHBondContact O-N 3.26Å; D195-S199 WeakPolarHBondContact O-CB 3.2Å; D195-S199 PolarHBondContact O-N 2.95Å
196	W	93.8	Very high	92.6	Very high	19 Å²	19	40 Å²	40	7%	0.072	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-51	171.5	-178.3	70.8	0	0	0	112.8	F171 N174 F178 E192 L193 R194 R198 S199 Q200 Q424 I427	F171-W196 AromaticContact CD2-CH2 3.88Å; F171-W196 HydrophobicContact CD2-CH2 3.88Å; F171-W196 AromaticContact CD2-CZ2 3.4Å; F171-W196 HydrophobicContact CD2-CZ2 3.4Å; F171-W196 VanDerWaalsContact CD2-CZ2 3.4Å; F171-W196 AromaticContact CE2-CH2 3.44Å; F171-W196 HydrophobicContact CE2-CH2 3.44Å; F171-W196 VanDerWaalsContact CE2-CH2 3.44Å; F171-W196 AromaticContact CE2-CZ2 3.49Å; F171-W196 HydrophobicContact CE2-CZ2 3.49Å; F171-W196 VanDerWaalsContact CE2-CZ2 3.49Å; F171-W196 HydrophobicContact CG-CZ2 4.4Å; F171-W196 HydrophobicContact CZ-CH2 4.34Å; N174-W196 HydrophobicContact CB-CZ2 3.93Å; N174-W196 VanDerWaalsContact CB-NE1 3.31Å; F178-W196 HydrophobicContact CD2-CD2 4.37Å; F178-W196 HydrophobicContact CD2-CE3 4.23Å; F178-W196 HydrophobicContact CD2-CZ3 4.32Å; F178-W196 HydrophobicContact CE2-CB 4.11Å; F178-W196 AromaticContact CE2-CD2 3.71Å; F178-W196 HydrophobicContact CE2-CD2 3.71Å; F178-W196 AromaticContact CE2-CE3 3.8Å; F178-W196 HydrophobicContact CE2-CE3 3.8Å; F178-W196 AromaticContact CE2-CG 3.86Å; F178-W196 HydrophobicContact CE2-CG 3.86Å; F178-W196 HydrophobicContact CE2-CZ3 4.35Å; F178-W196 HydrophobicContact CZ-CB 4.19Å; F178-W196 HydrophobicContact CZ-CG 4.43Å; E192-W196 VanDerWaalsContact O-CB 3.28Å; E192-W196 WeakPolarHBondContact O-CB 3.47Å; E192-W196 PolarHBondContact O-N 2.73Å; L193-W196 HydrophobicContact CD1-CE3 3.81Å; L193-W196 HydrophobicContact CD1-CZ3 4.12Å; L193-W196 PolarHBondContact O-N 3.07Å; R194-W196 VanDerWaalsContact C-N 3.26Å; R194-W196 PolarHBondContact O-N 3.12Å; W196-R198 VanDerWaalsContact C-N 3.3Å; W196-R198 PolarHBondContact O-N 2.84Å; W196-S199 PolarHBondContact O-N 2.84Å; W196-S199 VanDerWaalsContact O-N 3.17Å; W196-Q200 HydrophobicContact CD2-CG 4.34Å; W196-Q200 VanDerWaalsContact O-CG 3.28Å; W196-Q200 WeakPolarHBondContact O-CG 3.47Å; W196-Q200 PolarHBondContact O-N 3.3Å; W196-Q424 HydrophobicContact CH2-CG 3.75Å; W196-Q424 HydrophobicContact CZ3-CG 3.7Å; W196-I427 HydrophobicContact CH2-CD1 3.51Å; W196-I427 HydrophobicContact CZ3-CD1 3.82Å
197	L	95	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-46.3	176.8	-70.2	175.3	0	0	0	111.1	L193 R194 S199 Q200 F201 Q424 L517 W520 H524	L193-L197 HydrophobicContact CG-CD1 4.47Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.41Å; L193-L197 PolarHBondContact O-N 3.4Å; R194-L197 PolarHBondContact O-N 3.46Å; L197-S199 PolarHBondContact O-N 2.87Å; L197-Q200 PolarHBondContact O-N 3.49Å; L197-F201 PolarHBondContact O-N 2.76Å; L197-Q424 HydrophobicContact CD2-CB 3.93Å; L197-Q424 HydrophobicContact CD2-CG 3.85Å; L197-L517 HydrophobicContact CD1-CB 4.4Å; L197-L517 HydrophobicContact CD1-CD2 3.88Å; L197-W520 HydrophobicContact CB-CB 3.96Å; L197-W520 HydrophobicContact CB-CG 4.37Å; L197-W520 HydrophobicContact CD1-CB 4.25Å; L197-H524 PolarHBondContact O-NE2 2.91Å; L197-H524 VanDerWaalsContact O-NE2 3.11Å
198	R	97.1	Very high	94.1	Very high	125 Å²	125	37.6 Å²	37.6	47%	0.472	18%	0.178	S	C	.	.	H	α-helix	trans	-58.1	-50	175.3	178.3	175.9	-177.6	117.3	11.3	112.4	R194 W196 Q200 F201 D202 W520	R194-R198 WeakPolarHBondContact O-CB 3.5Å; R194-R198 PolarHBondContact O-N 3.43Å; W196-R198 VanDerWaalsContact C-N 3.3Å; W196-R198 PolarHBondContact O-N 2.84Å; R198-Q200 VanDerWaalsContact C-N 3.26Å; R198-Q200 PolarHBondContact O-N 3.11Å; R198-F201 WeakPolarHBondContact O-CB 3.45Å; R198-F201 PolarHBondContact O-N 3.23Å; R198-F201 VanDerWaalsContact O-N 3.09Å; R198-D202 WeakPolarHBondContact CG-OD2 3.49Å; R198-D202 IonicContact NE-OD2 3.4Å; R198-D202 PolarHBondContact NE-OD2 3.02Å; R198-D202 IonicContact NH2-OD2 2.72Å; R198-D202 PolarHBondContact O-N 2.95Å; R198-W520 HydrophobicContact CB-CD2 4.2Å; R198-W520 HydrophobicContact CB-CH2 4.23Å; R198-W520 HydrophobicContact CB-CZ2 3.79Å; R198-W520 HydrophobicContact CG-CH2 3.69Å; R198-W520 HydrophobicContact CG-CZ2 3.51Å; R198-W520 HydrophobicContact CG-CZ3 4.35Å
199	S	95.5	Very high	94.7	Very high	49 Å²	49	36 Å²	36	34%	0.343	17%	0.17	S	C	.	.	H	α-helix	trans	-59.6	-38.3	179.7	179.1	0	0	0	0	112	R167 D195 W196 L197 H203	R167-S199 PolarHBondContact NH1-OG 3.36Å; R167-S199 VanDerWaalsContact NH1-OG 3.08Å; D195-S199 WeakPolarHBondContact O-CB 3.2Å; D195-S199 PolarHBondContact O-N 2.95Å; W196-S199 PolarHBondContact O-N 2.84Å; W196-S199 VanDerWaalsContact O-N 3.17Å; L197-S199 PolarHBondContact O-N 2.87Å; S199-H203 WeakPolarHBondContact O-CB 3.16Å; S199-H203 PolarHBondContact O-N 3.43Å
200	Q	94.4	Very high	95.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-42.4	174.9	-64.2	-63.7	-46.3	0	0	111	R167 W196 L197 R198 L204 Q424	R167-Q200 VanDerWaalsContact CD-OE1 3.23Å; W196-Q200 HydrophobicContact CD2-CG 4.34Å; W196-Q200 VanDerWaalsContact O-CG 3.28Å; W196-Q200 WeakPolarHBondContact O-CG 3.47Å; W196-Q200 PolarHBondContact O-N 3.3Å; L197-Q200 PolarHBondContact O-N 3.49Å; R198-Q200 VanDerWaalsContact C-N 3.26Å; R198-Q200 PolarHBondContact O-N 3.11Å; Q200-L204 WeakPolarHBondContact O-CB 3.42Å; Q200-L204 WeakPolarHBondContact O-CD1 3.44Å; Q200-L204 WeakPolarHBondContact O-CG 3.28Å; Q200-L204 PolarHBondContact O-N 3.22Å; Q200-Q424 VanDerWaalsContact CB-NE2 3.33Å
201	F	97.5	Very high	95.4	Very high	27 Å²	27	36.9 Å²	36.9	12%	0.118	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-54.5	177.3	-178.1	-90.9	0	0	0	111.2	L197 R198 H203 L204 N205 W417 W520 A523 H524 T527	L197-F201 PolarHBondContact O-N 2.76Å; R198-F201 WeakPolarHBondContact O-CB 3.45Å; R198-F201 PolarHBondContact O-N 3.23Å; R198-F201 VanDerWaalsContact O-N 3.09Å; F201-H203 VanDerWaalsContact C-N 3.31Å; F201-H203 PolarHBondContact O-N 2.84Å; F201-L204 PolarHBondContact O-N 2.94Å; F201-N205 HydrophobicContact CE1-CB 4.44Å; F201-N205 WeakPolarHBondContact O-CB 3.22Å; F201-N205 PolarHBondContact O-N 3.16Å; F201-W417 HydrophobicContact CD2-CZ2 4.11Å; F201-W417 HydrophobicContact CE2-CZ2 4.22Å; F201-W520 HydrophobicContact CB-CE3 4Å; F201-W520 HydrophobicContact CB-CZ3 3.97Å; F201-W520 HydrophobicContact CD1-CE3 4.37Å; F201-W520 AromaticContact CD1-CZ3 3.63Å; F201-W520 HydrophobicContact CD1-CZ3 3.63Å; F201-W520 HydrophobicContact CD2-CE3 4.5Å; F201-W520 HydrophobicContact CD2-CZ3 4.48Å; F201-W520 HydrophobicContact CE1-CZ3 4.25Å; F201-W520 HydrophobicContact CG-CE3 4.04Å; F201-W520 AromaticContact CG-CZ3 3.76Å; F201-W520 HydrophobicContact CG-CZ3 3.76Å; F201-A523 HydrophobicContact CD2-CB 4.23Å; F201-A523 HydrophobicContact CE2-CB 3.91Å; F201-A523 HydrophobicContact CZ-CB 4.45Å; F201-H524 WeakPolarHBondContact CA-CE1 3.34Å; F201-H524 VanDerWaalsContact CB-CE1 3.44Å; F201-H524 WeakPolarHBondContact CB-CE1 3.23Å; F201-H524 HydrophobicContact CD2-CB 4.45Å; F201-H524 AromaticContact CD2-CG 3.78Å; F201-H524 AromaticContact CD2-ND1 3.71Å; F201-H524 PolarHBondContact N-CE1 2.74Å; F201-T527 HydrophobicContact CE2-CG2 4.3Å; F201-T527 HydrophobicContact CZ-CG2 4.34Å
202	D	97.2	Very high	95.6	Very high	61 Å²	61	35.4 Å²	35.4	33%	0.326	17%	0.166	S	C	.	.	H	α-helix	trans	-59.4	-43.1	-175	-70	-23.9	0	0	0	110.8	R198 Y206	R198-D202 WeakPolarHBondContact CG-OD2 3.49Å; R198-D202 IonicContact NE-OD2 3.4Å; R198-D202 PolarHBondContact NE-OD2 3.02Å; R198-D202 IonicContact NH2-OD2 2.72Å; R198-D202 PolarHBondContact O-N 2.95Å; D202-Y206 WeakPolarHBondContact O-CB 3.19Å; D202-Y206 PolarHBondContact O-N 3.49Å
203	H	96.3	Very high	95.8	Very high	22 Å²	22	36.3 Å²	36.3	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-47.8	178.5	-171.7	100.3	0	0	0	113.2	K163 R167 S199 F201 N205 Y206 V207	K163-H203 PolarHBondContact O-NE2 3.44Å; K163-H203 VanDerWaalsContact O-NE2 3.12Å; R167-H203 WeakPolarHBondContact CB-NE2 3.4Å; R167-H203 VanDerWaalsContact CG-CD2 3.46Å; R167-H203 WeakPolarHBondContact CG-CD2 3.44Å; R167-H203 VanDerWaalsContact CZ-CB 3.41Å; R167-H203 VanDerWaalsContact CZ-CG 3.45Å; R167-H203 VanDerWaalsContact NE-CB 3.35Å; R167-H203 PolarHBondContact NE-CD2 3.28Å; R167-H203 VanDerWaalsContact NE-CD2 3.27Å; R167-H203 PolarHBondContact NE-ND1 3.33Å; R167-H203 VanDerWaalsContact NH2-CG 3.29Å; R167-H203 PolarHBondContact NH2-ND1 2.85Å; S199-H203 WeakPolarHBondContact O-CB 3.16Å; S199-H203 PolarHBondContact O-N 3.43Å; F201-H203 VanDerWaalsContact C-N 3.31Å; F201-H203 PolarHBondContact O-N 2.84Å; H203-N205 VanDerWaalsContact C-N 3.28Å; H203-N205 PolarHBondContact O-N 3.09Å; H203-Y206 WeakPolarHBondContact O-CB 2.9Å; H203-Y206 PolarHBondContact O-N 2.95Å; H203-V207 WeakPolarHBondContact NE2-CG2 3.28Å; H203-V207 VanDerWaalsContact O-CG2 3.29Å; H203-V207 WeakPolarHBondContact O-CG2 3.45Å; H203-V207 PolarHBondContact O-N 2.9Å
204	L	96.3	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-37.7	-179	-68	168.4	0	0	0	110.9	L164 R167 Q200 F201 V207 V208 W417 I420	L164-L204 HydrophobicContact CD1-CD2 4.32Å; R167-L204 HydrophobicContact CG-CD2 4.46Å; Q200-L204 WeakPolarHBondContact O-CB 3.42Å; Q200-L204 WeakPolarHBondContact O-CD1 3.44Å; Q200-L204 WeakPolarHBondContact O-CG 3.28Å; Q200-L204 PolarHBondContact O-N 3.22Å; F201-L204 PolarHBondContact O-N 2.94Å; L204-V207 PolarHBondContact O-N 3.46Å; L204-V208 WeakPolarHBondContact O-CG2 3.5Å; L204-V208 PolarHBondContact O-N 3.45Å; L204-W417 HydrophobicContact CB-CD2 3.7Å; L204-W417 HydrophobicContact CB-CE3 3.88Å; L204-W417 HydrophobicContact CB-CG 4.06Å; L204-W417 HydrophobicContact CB-CH2 4.38Å; L204-W417 HydrophobicContact CB-CZ2 4.27Å; L204-W417 HydrophobicContact CB-CZ3 4.2Å; L204-W417 HydrophobicContact CD1-CB 4.21Å; L204-W417 VanDerWaalsContact CD1-CD1 3.43Å; L204-W417 HydrophobicContact CD1-CD2 4.15Å; L204-W417 HydrophobicContact CD1-CG 3.69Å; L204-W417 HydrophobicContact CD2-CB 4.42Å; L204-W417 HydrophobicContact CG-CD2 4.46Å; L204-W417 HydrophobicContact CG-CG 4.32Å; L204-I420 HydrophobicContact CD1-CB 4.38Å; L204-I420 HydrophobicContact CD1-CD1 3.82Å; L204-I420 HydrophobicContact CD1-CG2 4.04Å; L204-I420 HydrophobicContact CD2-CD1 4.06Å
205	N	97.2	Very high	95.9	Very high	43 Å²	43	33.6 Å²	33.6	23%	0.23	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-44.8	172.5	-170.4	67.2	0	0	0	111.9	F201 H203 N209 W417 Y531	F201-N205 HydrophobicContact CE1-CB 4.44Å; F201-N205 WeakPolarHBondContact O-CB 3.22Å; F201-N205 PolarHBondContact O-N 3.16Å; H203-N205 VanDerWaalsContact C-N 3.28Å; H203-N205 PolarHBondContact O-N 3.09Å; N205-N209 PolarHBondContact ND2-ND2 3.1Å; N205-N209 WeakPolarHBondContact O-CB 3.29Å; N205-N209 PolarHBondContact O-N 3.35Å; N205-N209 PolarHBondContact O-ND2 2.83Å; N205-W417 HydrophobicContact CB-CH2 4.15Å; N205-Y531 PolarHBondContact OD1-OH 2.97Å
206	Y	97	Very high	95.8	Very high	38 Å²	38	34.7 Å²	34.7	15%	0.149	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-48.5	172.6	164.4	-94.4	0	0	0	111.7	K163 D202 H203 V208 N209 R210 I313	K163-Y206 HydrophobicContact CD-CE1 3.99Å; K163-Y206 PolarHBondContact NZ-OH 3.13Å; K163-Y206 VanDerWaalsContact NZ-OH 3.1Å; D202-Y206 WeakPolarHBondContact O-CB 3.19Å; D202-Y206 PolarHBondContact O-N 3.49Å; H203-Y206 WeakPolarHBondContact O-CB 2.9Å; H203-Y206 PolarHBondContact O-N 2.95Å; Y206-V208 PolarHBondContact O-N 3.46Å; Y206-N209 PolarHBondContact O-N 3.02Å; Y206-R210 WeakPolarHBondContact O-CB 3.37Å; Y206-R210 PolarHBondContact O-N 3.22Å; Y206-I313 HydrophobicContact CD2-CD1 3.94Å; Y206-I313 HydrophobicContact CD2-CG1 4.38Å; Y206-I313 HydrophobicContact CG-CD1 4.01Å
207	V	95.6	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-40.6	-176.7	176.3	0	0	0	0	111.3	L160 H203 L204 S211 I413	L160-V207 HydrophobicContact CD1-CB 4.16Å; L160-V207 HydrophobicContact CD1-CG1 3.73Å; L160-V207 HydrophobicContact CD1-CG2 4.12Å; L160-V207 HydrophobicContact CD2-CG1 4.42Å; L160-V207 HydrophobicContact CG-CG1 3.95Å; H203-V207 WeakPolarHBondContact NE2-CG2 3.28Å; H203-V207 VanDerWaalsContact O-CG2 3.29Å; H203-V207 WeakPolarHBondContact O-CG2 3.45Å; H203-V207 PolarHBondContact O-N 2.9Å; L204-V207 PolarHBondContact O-N 3.46Å; V207-S211 WeakPolarHBondContact O-CB 3.23Å; V207-S211 PolarHBondContact O-N 3.32Å; V207-S211 PolarHBondContact O-OG 2.68Å; V207-I413 HydrophobicContact CB-CG2 4.44Å; V207-I413 HydrophobicContact CG1-CB 4.45Å; V207-I413 HydrophobicContact CG1-CD1 3.56Å; V207-I413 HydrophobicContact CG1-CG1 3.7Å; V207-I413 HydrophobicContact CG1-CG2 3.83Å
208	V	96.4	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-51.4	173.1	172.4	0	0	0	0	110.9	L204 Y206 R210 S211 K212 Y410 I413 L414 W417 Y531	L204-V208 WeakPolarHBondContact O-CG2 3.5Å; L204-V208 PolarHBondContact O-N 3.45Å; Y206-V208 PolarHBondContact O-N 3.46Å; V208-R210 VanDerWaalsContact C-N 3.31Å; V208-R210 PolarHBondContact O-N 3.48Å; V208-S211 WeakPolarHBondContact CA-OG 3.36Å; V208-S211 PolarHBondContact O-N 3.31Å; V208-S211 VanDerWaalsContact O-N 3.07Å; V208-S211 PolarHBondContact O-OG 2.9Å; V208-K212 HydrophobicContact CG1-CD 4.26Å; V208-K212 WeakPolarHBondContact O-CG 3.48Å; V208-K212 PolarHBondContact O-N 3.34Å; V208-Y410 HydrophobicContact CG1-CE2 3.91Å; V208-I413 HydrophobicContact CB-CG2 4.49Å; V208-I413 HydrophobicContact CG2-CG2 3.46Å; V208-I413 VanDerWaalsContact CG2-CG2 3.46Å; V208-L414 HydrophobicContact CG1-CD2 4.44Å; V208-L414 HydrophobicContact CG2-CD2 3.9Å; V208-W417 HydrophobicContact CB-CZ3 4.32Å; V208-W417 HydrophobicContact CG2-CE3 3.63Å; V208-W417 HydrophobicContact CG2-CZ3 3.67Å; V208-Y531 HydrophobicContact CB-CD2 4.27Å; V208-Y531 HydrophobicContact CB-CE2 3.99Å; V208-Y531 HydrophobicContact CG1-CD1 3.91Å; V208-Y531 HydrophobicContact CG1-CD2 3.61Å; V208-Y531 HydrophobicContact CG1-CE1 3.92Å; V208-Y531 HydrophobicContact CG1-CE2 3.6Å; V208-Y531 HydrophobicContact CG1-CG 3.76Å; V208-Y531 HydrophobicContact CG2-CD2 4.36Å; V208-Y531 HydrophobicContact CG2-CE2 4.42Å
209	N	96.4	Very high	95.4	Very high	53 Å²	53	34.6 Å²	34.6	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-61.9	-38.7	-178.7	-70.4	-47.4	0	0	0	112.3	N205 Y206 S211 K212 Q213 Y531	N205-N209 PolarHBondContact ND2-ND2 3.1Å; N205-N209 WeakPolarHBondContact O-CB 3.29Å; N205-N209 PolarHBondContact O-N 3.35Å; N205-N209 PolarHBondContact O-ND2 2.83Å; Y206-N209 PolarHBondContact O-N 3.02Å; N209-S211 PolarHBondContact O-N 3.42Å; N209-K212 WeakPolarHBondContact O-CB 3.44Å; N209-K212 PolarHBondContact O-N 3.15Å; N209-Q213 WeakPolarHBondContact O-CG 3.46Å; N209-Q213 PolarHBondContact O-N 2.86Å; N209-Q213 VanDerWaalsContact O-N 3.14Å; N209-Y531 VanDerWaalsContact CG-OH 3.31Å; N209-Y531 PolarHBondContact ND2-OH 3.02Å; N209-Y531 VanDerWaalsContact ND2-OH 3.08Å; N209-Y531 PolarHBondContact OD1-OH 3.36Å
210	R	97.7	Very high	95.2	Very high	24 Å²	24	36.4 Å²	36.4	9%	0.091	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-38.3	174.2	-175.5	64	-168.4	101.1	-9.5	112	D156 L160 Y206 V208 K212 Q213 L214 Q217	D156-R210 VanDerWaalsContact CB-NH2 3.35Å; D156-R210 IonicContact OD2-CZ 2.75Å; D156-R210 IonicContact OD2-NH2 3.34Å; D156-R210 PolarHBondContact OD2-NH2 3.17Å; L160-R210 HydrophobicContact CD1-CB 3.96Å; L160-R210 HydrophobicContact CD1-CG 3.92Å; L160-R210 HydrophobicContact CD2-CB 4.15Å; L160-R210 HydrophobicContact CD2-CG 4.03Å; Y206-R210 WeakPolarHBondContact O-CB 3.37Å; Y206-R210 PolarHBondContact O-N 3.22Å; V208-R210 VanDerWaalsContact C-N 3.31Å; V208-R210 PolarHBondContact O-N 3.48Å; R210-K212 VanDerWaalsContact C-N 3.35Å; R210-Q213 WeakPolarHBondContact O-CB 3.39Å; R210-Q213 PolarHBondContact O-N 3.02Å; R210-L214 PolarHBondContact O-N 3.32Å; R210-Q217 VanDerWaalsContact NH1-OE1 3.09Å
211	S	95.9	Very high	95.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-32.7	175.7	68.3	0	0	0	0	113.2	V207 V208 N209 L214 I215 Y410 I413	V207-S211 WeakPolarHBondContact O-CB 3.23Å; V207-S211 PolarHBondContact O-N 3.32Å; V207-S211 PolarHBondContact O-OG 2.68Å; V208-S211 WeakPolarHBondContact CA-OG 3.36Å; V208-S211 PolarHBondContact O-N 3.31Å; V208-S211 VanDerWaalsContact O-N 3.07Å; V208-S211 PolarHBondContact O-OG 2.9Å; N209-S211 PolarHBondContact O-N 3.42Å; S211-L214 WeakPolarHBondContact O-CB 3.46Å; S211-L214 PolarHBondContact O-N 3.07Å; S211-I215 PolarHBondContact O-N 3.45Å; S211-Y410 VanDerWaalsContact OG-CD2 3.3Å; S211-Y410 WeakPolarHBondContact OG-CD2 3.34Å; S211-I413 VanDerWaalsContact CB-CD1 3.45Å
212	K	94.9	Very high	95	Very high	52 Å²	52	35.7 Å²	35.7	23%	0.226	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-43.2	170.4	-67.7	175.7	58.1	174.3	0	111.7	V208 N209 R210 L214 I215 E216 Y410 Y531 E534 I536	V208-K212 HydrophobicContact CG1-CD 4.26Å; V208-K212 WeakPolarHBondContact O-CG 3.48Å; V208-K212 PolarHBondContact O-N 3.34Å; N209-K212 WeakPolarHBondContact O-CB 3.44Å; N209-K212 PolarHBondContact O-N 3.15Å; R210-K212 VanDerWaalsContact C-N 3.35Å; K212-L214 VanDerWaalsContact C-N 3.3Å; K212-L214 PolarHBondContact O-N 3.22Å; K212-I215 WeakPolarHBondContact O-CB 3.49Å; K212-I215 PolarHBondContact O-N 2.9Å; K212-E216 PolarHBondContact O-N 3Å; K212-Y410 HydrophobicContact CD-CE2 4.3Å; K212-Y410 HydrophobicContact CG-CD2 4.13Å; K212-Y410 HydrophobicContact CG-CE2 3.66Å; K212-Y531 HydrophobicContact CD-CD1 4.4Å; K212-Y531 HydrophobicContact CD-CE1 4.24Å; K212-E534 WeakPolarHBondContact CE-OE2 3.43Å; K212-E534 IonicContact NZ-OE1 2.64Å; K212-E534 IonicContact NZ-OE2 3.52Å; K212-E534 PolarHBondContact NZ-OE2 3.47Å; K212-I536 HydrophobicContact CD-CD1 3.92Å; K212-I536 HydrophobicContact CG-CD1 3.98Å
213	Q	95.9	Very high	94.8	Very high	102 Å²	102	33 Å²	33	48%	0.477	17%	0.165	S	C	.	.	H	α-helix	trans	-61.5	-38.6	174.3	-67.2	169.3	-3.3	0	0	111.7	N209 R210 I215 E216 Q217	N209-Q213 WeakPolarHBondContact O-CG 3.46Å; N209-Q213 PolarHBondContact O-N 2.86Å; N209-Q213 VanDerWaalsContact O-N 3.14Å; R210-Q213 WeakPolarHBondContact O-CB 3.39Å; R210-Q213 PolarHBondContact O-N 3.02Å; Q213-I215 VanDerWaalsContact C-N 3.35Å; Q213-E216 PolarHBondContact O-N 3.39Å; Q213-Q217 WeakPolarHBondContact O-CB 3.41Å; Q213-Q217 VanDerWaalsContact O-CG 3.24Å; Q213-Q217 WeakPolarHBondContact O-CG 3.33Å; Q213-Q217 PolarHBondContact O-N 2.88Å
214	L	96.4	Very high	94.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-40.4	173.8	-71	172.5	0	0	0	112	F153 D156 A157 L160 R210 S211 K212 E216 Q217 S218 A406 L409	F153-L214 HydrophobicContact CD2-CD2 3.89Å; F153-L214 HydrophobicContact CE2-CB 4.11Å; F153-L214 HydrophobicContact CE2-CD2 4.05Å; F153-L214 WeakPolarHBondContact CE2-O 3.44Å; D156-L214 HydrophobicContact CB-CD2 3.89Å; A157-L214 HydrophobicContact CB-CD1 4.1Å; L160-L214 HydrophobicContact CD2-CD1 3.78Å; R210-L214 PolarHBondContact O-N 3.32Å; S211-L214 WeakPolarHBondContact O-CB 3.46Å; S211-L214 PolarHBondContact O-N 3.07Å; K212-L214 VanDerWaalsContact C-N 3.3Å; K212-L214 PolarHBondContact O-N 3.22Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 3.44Å; L214-Q217 PolarHBondContact O-N 3.1Å; L214-S218 WeakPolarHBondContact O-CB 3.47Å; L214-S218 PolarHBondContact O-N 3.44Å; L214-A406 HydrophobicContact CB-CB 4.41Å; L214-L409 HydrophobicContact CD1-CD2 3.97Å
215	I	93.4	Very high	94.2	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.036	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-45.7	174.6	-69.9	173.3	0	0	0	110.5	S211 K212 Q213 S218 A406 I407 Y410 I536	S211-I215 PolarHBondContact O-N 3.45Å; K212-I215 WeakPolarHBondContact O-CB 3.49Å; K212-I215 PolarHBondContact O-N 2.9Å; Q213-I215 VanDerWaalsContact C-N 3.35Å; I215-S218 PolarHBondContact O-N 3.42Å; I215-S218 PolarHBondContact O-OG 2.94Å; I215-A406 HydrophobicContact CG1-CB 3.83Å; I215-I407 HydrophobicContact CD1-CG1 4.48Å; I215-I407 HydrophobicContact CG1-CG1 4.5Å; I215-Y410 HydrophobicContact CD1-CD1 4.43Å; I215-Y410 HydrophobicContact CD1-CD2 4.1Å; I215-Y410 HydrophobicContact CD1-CG 3.82Å; I215-I536 HydrophobicContact CD1-CG2 3.68Å; I215-I536 HydrophobicContact CG2-CG2 4.01Å
216	E	91.9	Very high	93.9	Very high	104 Å²	104	36 Å²	36	49%	0.486	18%	0.177	S	C	.	.	H	α-helix	trans	-64.1	-45.8	176.8	-65.2	-52.5	128.8	0	0	112.2	K212 Q213 L214 S218 K219	K212-E216 PolarHBondContact O-N 3Å; Q213-E216 PolarHBondContact O-N 3.39Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 3.44Å; E216-S218 VanDerWaalsContact C-N 3.26Å; E216-S218 PolarHBondContact O-N 3.27Å; E216-K219 WeakPolarHBondContact O-CB 3.33Å; E216-K219 PolarHBondContact O-N 2.93Å; E216-K219 VanDerWaalsContact O-N 3.14Å; E216-K219 IonicContact OE1-NZ 3.11Å; E216-K219 PolarHBondContact OE1-NZ 3.39Å; E216-K219 WeakPolarHBondContact OE2-CE 3.21Å; E216-K219 IonicContact OE2-NZ 3.43Å; E216-K219 PolarHBondContact OE2-NZ 2.88Å
217	Q	93.9	Very high	93.5	Very high	76 Å²	76	36.9 Å²	36.9	36%	0.355	18%	0.18	S	C	.	.	H	α-helix	trans	-58.4	-36.6	176.6	-73.8	173.4	-38.8	0	0	112.4	F153 R210 Q213 L214 K219 S220 L221	F153-Q217 HydrophobicContact CD2-CB 4.35Å; R210-Q217 VanDerWaalsContact NH1-OE1 3.09Å; Q213-Q217 WeakPolarHBondContact O-CB 3.41Å; Q213-Q217 VanDerWaalsContact O-CG 3.24Å; Q213-Q217 WeakPolarHBondContact O-CG 3.33Å; Q213-Q217 PolarHBondContact O-N 2.88Å; L214-Q217 PolarHBondContact O-N 3.1Å; Q217-K219 PolarHBondContact O-N 3.43Å; Q217-S220 PolarHBondContact O-N 3Å; Q217-S220 PolarHBondContact O-OG 2.83Å; Q217-L221 PolarHBondContact O-N 3.18Å
218	S	93.4	Very high	93	Very high	2 Å²	2	41 Å²	41	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-19.1	-179.8	72.4	0	0	0	0	114	L214 I215 E216	L214-S218 WeakPolarHBondContact O-CB 3.47Å; L214-S218 PolarHBondContact O-N 3.44Å; I215-S218 PolarHBondContact O-N 3.42Å; I215-S218 PolarHBondContact O-OG 2.94Å; E216-S218 VanDerWaalsContact C-N 3.26Å; E216-S218 PolarHBondContact O-N 3.27Å
219	K	90.5	Very high	92.5	Very high	63 Å²	63	45.1 Å²	45.1	27%	0.274	23%	0.227	S	C	.	.	H	α-helix	trans	-73.8	-29.3	178.7	-61.2	175.2	-169.9	169.2	0	113.2	E216 Q217 S397 P398 L548	E216-K219 WeakPolarHBondContact O-CB 3.33Å; E216-K219 PolarHBondContact O-N 2.93Å; E216-K219 VanDerWaalsContact O-N 3.14Å; E216-K219 IonicContact OE1-NZ 3.11Å; E216-K219 PolarHBondContact OE1-NZ 3.39Å; E216-K219 WeakPolarHBondContact OE2-CE 3.21Å; E216-K219 IonicContact OE2-NZ 3.43Å; E216-K219 PolarHBondContact OE2-NZ 2.88Å; Q217-K219 PolarHBondContact O-N 3.43Å; K219-S397 PolarHBondContact O-OG 2.88Å; K219-P398 WeakPolarHBondContact O-CB 3.29Å; K219-L548 HydrophobicContact CG-CD1 4.26Å
220	S	91	Very high	92	Very high	88 Å²	88	49.5 Å²	49.5	62%	0.615	24%	0.24	S	C	*	.	S	Bend	trans	-97.7	-2	178.6	54.8	0	0	0	0	113.2	Q217	Q217-S220 PolarHBondContact O-N 3Å; Q217-S220 PolarHBondContact O-OG 2.83Å
221	L	94.2	Very high	91.6	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.042	24%	0.24	C	C	.	.			trans	-73	137.1	-175.4	-144.5	77.5	0	0	0	111.5	D149 F150 F153 Y154 Q217 S397 P398 D399 A402	D149-L221 HydrophobicContact CB-CD1 4.44Å; F150-L221 HydrophobicContact CD2-CD2 3.85Å; F150-L221 HydrophobicContact CD2-CG 4.33Å; F150-L221 HydrophobicContact CG-CD2 4.42Å; F153-L221 HydrophobicContact CB-CD1 3.83Å; F153-L221 HydrophobicContact CB-CD2 4.08Å; F153-L221 HydrophobicContact CD1-CD2 3.71Å; F153-L221 HydrophobicContact CE1-CD2 4.39Å; F153-L221 HydrophobicContact CG-CD1 4.29Å; F153-L221 HydrophobicContact CG-CD2 3.89Å; Y154-L221 HydrophobicContact CE2-CD2 4.41Å; Q217-L221 PolarHBondContact O-N 3.18Å; L221-S397 WeakPolarHBondContact O-CA 3.48Å; L221-S397 WeakPolarHBondContact O-CB 3.34Å; L221-P398 CarbonylContact O-C 3.39Å; L221-P398 WeakPolarHBondContact O-CA 3.5Å; L221-D399 HydrophobicContact CB-CB 4.22Å; L221-D399 HydrophobicContact CD2-CB 4.36Å; L221-D399 PolarHBondContact O-N 3.27Å; L221-A402 HydrophobicContact CD2-CB 3.48Å; L221-A402 VanDerWaalsContact CD2-CB 3.48Å
222	V	93	Very high	91.1	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.024	28%	0.283	C	S	.	.			trans	-95.4	133	177.5	171.6	0	0	0	0	109.9	N146 F150 I224 W394 I395	N146-V222 HydrophobicContact CB-CB 4.36Å; F150-V222 WeakPolarHBondContact CD2-O 3.43Å; V222-I224 VanDerWaalsContact C-N 3.3Å; V222-I224 HydrophobicContact CG1-CG2 4.44Å; V222-I224 WeakPolarHBondContact O-CG2 3.39Å; V222-I224 PolarHBondContact O-N 3.39Å; V222-W394 HydrophobicContact CG2-CH2 3.59Å; V222-W394 HydrophobicContact CG2-CZ2 3.27Å; V222-I395 VanDerWaalsContact CG1-O 3.29Å; V222-I395 WeakPolarHBondContact CG1-O 3.35Å
223	P	92.6	Very high	90.9	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.039	30%	0.297	C	S	.	.			trans	-74.4	77.8	-180	30.8	-37.3	0	0	0	111.8	Y225 L226 I395 D399	P223-Y225 HydrophobicContact CB-CD1 4.28Å; P223-Y225 HydrophobicContact CB-CE1 3.65Å; P223-Y225 HydrophobicContact CB-CE2 4.5Å; P223-Y225 PolarHBondContact O-N 3.1Å; P223-Y225 VanDerWaalsContact O-N 3.12Å; P223-L226 HydrophobicContact CB-CD1 3.94Å; P223-L226 HydrophobicContact CB-CG 4.14Å; P223-L226 HydrophobicContact CG-CD1 3.74Å; P223-L226 HydrophobicContact CG-CG 4.4Å; P223-L226 WeakPolarHBondContact O-CB 3.39Å; P223-L226 PolarHBondContact O-N 3.44Å; P223-L226 VanDerWaalsContact O-N 3.07Å; P223-I395 HydrophobicContact CG-CG2 3.79Å; P223-D399 HydrophobicContact CB-CB 4.06Å
224	I	91.6	Very high	90.7	Very high	39 Å²	39	57.1 Å²	57.1	20%	0.2	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.2	-173.4	68.9	172.7	0	0	0	113.4	N146 A147 F150 V222 L226 R227	N146-I224 HydrophobicContact CB-CG2 4.24Å; A147-I224 HydrophobicContact CB-CD1 4.47Å; F150-I224 HydrophobicContact CB-CD1 3.88Å; F150-I224 HydrophobicContact CB-CG1 4.25Å; F150-I224 HydrophobicContact CB-CG2 4.21Å; F150-I224 HydrophobicContact CD1-CD1 3.41Å; F150-I224 VanDerWaalsContact CD1-CD1 3.41Å; F150-I224 HydrophobicContact CD1-CG1 3.78Å; F150-I224 HydrophobicContact CD2-CD1 4.21Å; F150-I224 HydrophobicContact CD2-CG1 3.76Å; F150-I224 HydrophobicContact CD2-CG2 4.4Å; F150-I224 HydrophobicContact CE1-CD1 3.94Å; F150-I224 HydrophobicContact CE1-CG1 4Å; F150-I224 HydrophobicContact CE2-CG1 3.91Å; F150-I224 HydrophobicContact CG-CD1 3.58Å; F150-I224 HydrophobicContact CG-CG1 3.67Å; F150-I224 HydrophobicContact CG-CG2 4.41Å; F150-I224 HydrophobicContact CZ-CG1 4.06Å; V222-I224 VanDerWaalsContact C-N 3.3Å; V222-I224 HydrophobicContact CG1-CG2 4.44Å; V222-I224 WeakPolarHBondContact O-CG2 3.39Å; V222-I224 PolarHBondContact O-N 3.39Å; I224-L226 PolarHBondContact O-N 3.35Å; I224-R227 VanDerWaalsContact O-CB 3.29Å; I224-R227 WeakPolarHBondContact O-CB 3.47Å; I224-R227 WeakPolarHBondContact O-CG 3.44Å; I224-R227 PolarHBondContact O-N 3.45Å
225	Y	90	Very high	90.5	Very high	49 Å²	49	58.4 Å²	58.4	19%	0.192	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-22.4	177.5	59.8	-95.6	0	0	0	112.8	F150 P223 R227 T228 N229 D399 E401	F150-Y225 HydrophobicContact CE2-CD1 4.01Å; F150-Y225 HydrophobicContact CE2-CE1 4.42Å; F150-Y225 HydrophobicContact CZ-CD1 4.16Å; P223-Y225 HydrophobicContact CB-CD1 4.28Å; P223-Y225 HydrophobicContact CB-CE1 3.65Å; P223-Y225 HydrophobicContact CB-CE2 4.5Å; P223-Y225 PolarHBondContact O-N 3.1Å; P223-Y225 VanDerWaalsContact O-N 3.12Å; Y225-R227 PolarHBondContact O-N 3.25Å; Y225-T228 WeakPolarHBondContact CA-OG1 3.31Å; Y225-T228 PolarHBondContact O-N 2.89Å; Y225-T228 PolarHBondContact O-OG1 2.82Å; Y225-N229 WeakPolarHBondContact O-CB 3.4Å; Y225-N229 PolarHBondContact O-N 3.08Å; Y225-D399 VanDerWaalsContact CE1-OD1 3.31Å; Y225-D399 WeakPolarHBondContact CE1-OD1 3.37Å; Y225-E401 PolarHBondContact OH-OE1 3Å
226	L	90.1	Very high	90.4	Very high	40 Å²	40	61.7 Å²	61.7	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-70.1	-14.2	171.6	-63.2	-178.9	0	0	0	112.5	P223 I224 I231 V235 N261 I395	P223-L226 HydrophobicContact CB-CD1 3.94Å; P223-L226 HydrophobicContact CB-CG 4.14Å; P223-L226 HydrophobicContact CG-CD1 3.74Å; P223-L226 HydrophobicContact CG-CG 4.4Å; P223-L226 WeakPolarHBondContact O-CB 3.39Å; P223-L226 PolarHBondContact O-N 3.44Å; P223-L226 VanDerWaalsContact O-N 3.07Å; I224-L226 PolarHBondContact O-N 3.35Å; L226-I231 HydrophobicContact CD2-CG2 4.47Å; L226-V235 HydrophobicContact CD1-CG1 4.2Å; L226-N261 PolarHBondContact O-ND2 3.36Å; L226-I395 HydrophobicContact CB-CD1 3.62Å; L226-I395 HydrophobicContact CD1-CG2 4.14Å
227	R	89.6	Confident	90.5	Very high	56 Å²	56	56.8 Å²	56.8	21%	0.211	30%	0.301	C	S	.	.	H	α-helix	trans	-86.3	-24.6	171.7	-44	-167.5	110.3	-82.9	-0.2	112.5	H143 I224 Y225 W375 S390 V393 I395	H143-R227 PolarHBondContact CE1-NH2 3.45Å; H143-R227 VanDerWaalsContact CE1-NH2 3.31Å; I224-R227 VanDerWaalsContact O-CB 3.29Å; I224-R227 WeakPolarHBondContact O-CB 3.47Å; I224-R227 WeakPolarHBondContact O-CG 3.44Å; I224-R227 PolarHBondContact O-N 3.45Å; Y225-R227 PolarHBondContact O-N 3.25Å; R227-W375 HydrophobicContact CB-CH2 3.94Å; R227-W375 HydrophobicContact CB-CZ2 3.98Å; R227-W375 HydrophobicContact CG-CH2 3.87Å; R227-W375 HydrophobicContact CG-CZ2 4.42Å; R227-S390 PolarHBondContact NH2-O 2.99Å; R227-V393 PolarHBondContact NH2-O 3.39Å; R227-I395 HydrophobicContact CG-CD1 4.04Å
228	T	84.2	Confident	90.5	Very high	87 Å²	87	53.3 Å²	53.3	53%	0.534	29%	0.285	S	S	.	.	H	α-helix	trans	-96.9	-38.1	-174.8	62.1	0	0	0	0	112.5	Y225	Y225-T228 WeakPolarHBondContact CA-OG1 3.31Å; Y225-T228 PolarHBondContact O-N 2.89Å; Y225-T228 PolarHBondContact O-OG1 2.82Å
229	N	85.4	Confident	90.6	Very high	85 Å²	85	53.2 Å²	53.2	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	-99.5	146.8	-176.1	-59.5	-21.1	0	0	0	110.1	Y225 I231 N261	Y225-N229 WeakPolarHBondContact O-CB 3.4Å; Y225-N229 PolarHBondContact O-N 3.08Å; N229-I231 PolarHBondContact O-N 2.67Å; N229-N261 PolarHBondContact O-ND2 3.05Å
230	R	87.2	Confident	90.7	Very high	145 Å²	145	50.7 Å²	50.7	55%	0.547	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-60.1	130.1	175.2	-171	175.4	-166.9	168.1	5.6	109.9	D260 N261 M262	R230-D260 IonicContact CZ-OD2 4Å; R230-D260 IonicContact NE-OD1 3.31Å; R230-D260 IonicContact NH2-OD1 2.79Å; R230-D260 IonicContact NH2-OD2 2.62Å; R230-D260 PolarHBondContact NH2-OD2 3.08Å; R230-N261 WeakPolarHBondContact CA-OD1 3.44Å; R230-M262 HydrophobicContact CB-CG 3.99Å; R230-M262 HydrophobicContact CG-CB 4.46Å; R230-M262 HydrophobicContact CG-CG 3.9Å
231	I	88.2	Confident	90.9	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.092	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-70.4	138.6	174.7	61.8	179.7	0	0	0	110.7	L226 N229 V235 I258 N261	L226-I231 HydrophobicContact CD2-CG2 4.47Å; N229-I231 PolarHBondContact O-N 2.67Å; I231-V235 HydrophobicContact CB-CG2 4.32Å; I231-V235 HydrophobicContact CD1-CG2 4.43Å; I231-V235 HydrophobicContact CG2-CG2 4.01Å; I231-I258 HydrophobicContact CD1-CB 4.37Å; I231-I258 HydrophobicContact CD1-CG2 3.84Å; I231-I258 WeakPolarHBondContact CD1-O 3.37Å; I231-N261 HydrophobicContact CD1-CB 4.44Å; I231-N261 HydrophobicContact CG1-CB 4.46Å; I231-N261 HydrophobicContact CG2-CB 4.47Å; I231-N261 PolarHBondContact N-OD1 3.28Å
232	N	86.5	Confident	90.8	Very high	169 Å²	169	49.2 Å²	49.2	90%	0.904	26%	0.259	S	S	*	.	S	Bend	trans	-86.8	-23.4	179.5	-64.6	-33.1	0	0	0	112.6
233	S	89.7	Confident	90.8	Very high	75 Å²	75	51.1 Å²	51.1	52%	0.524	27%	0.266	S	S	.	.	S	Bend	trans	-144	160.2	179.7	58.3	0	0	0	0	109.4	V235	S233-V235 WeakPolarHBondContact O-CG2 3.15Å; S233-V235 PolarHBondContact O-N 2.89Å
234	P	91.3	Very high	90.7	Very high	77 Å²	77	56.9 Å²	56.9	50%	0.5	29%	0.293	S	S	.	.			trans	-56.8	140.1	174.8	-23.9	34	0	0	0	112	V257 I258	P234-V257 HydrophobicContact CB-CG1 3.56Å; P234-I258 CarbonylContact C-O 3.52Å; P234-I258 WeakPolarHBondContact CA-O 3.22Å
235	V	92	Very high	90.6	Very high	29 Å²	29	57.1 Å²	57.1	18%	0.176	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.1	-177.2	179	0	0	0	0	109.1	L226 I231 S233 I258 I395	L226-V235 HydrophobicContact CD1-CG1 4.2Å; I231-V235 HydrophobicContact CB-CG2 4.32Å; I231-V235 HydrophobicContact CD1-CG2 4.43Å; I231-V235 HydrophobicContact CG2-CG2 4.01Å; S233-V235 WeakPolarHBondContact O-CG2 3.15Å; S233-V235 PolarHBondContact O-N 2.89Å; V235-I258 PolarHBondContact N-O 2.96Å; V235-I258 WeakPolarHBondContact O-CB 3.24Å; V235-I258 PolarHBondContact O-N 2.83Å; V235-I395 HydrophobicContact CG1-CG2 4.1Å
236	N	92.4	Very high	90.5	Very high	76 Å²	76	61.8 Å²	61.8	41%	0.406	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	145.5	175.9	-61.4	-28.6	0	0	0	110.8	P396 F553	N236-P396 WeakPolarHBondContact O-CD 3.35Å; N236-F553 HydrophobicContact CB-CZ 3.82Å
237	G	93.1	Very high	90.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	176.9	179	0	0	0	0	0	112.4	R255 I256 W394	G237-R255 WeakPolarHBondContact O-CA 3.39Å; G237-I256 PolarHBondContact N-O 2.91Å; G237-I256 WeakPolarHBondContact O-CG1 3.47Å; G237-I256 PolarHBondContact O-N 3.44Å; G237-I256 VanDerWaalsContact O-O 3.12Å; G237-W394 CarbonylContact C-O 3.59Å; G237-W394 WeakPolarHBondContact CA-O 3.39Å
238	V	94.5	Very high	90.4	Very high	3 Å²	3	67 Å²	67	2%	0.018	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.7	177.1	-172.4	0	0	0	0	109	L240 E254 V393 W394 F553 M556	V238-L240 PolarHBondContact O-N 3.04Å; V238-E254 CarbonylContact C-O 3.22Å; V238-E254 WeakPolarHBondContact CA-O 3.39Å; V238-V393 CarbonylContact O-C 3.56Å; V238-W394 HydrophobicContact CB-CB 4.23Å; V238-W394 PolarHBondContact N-O 3.33Å; V238-W394 PolarHBondContact O-N 3.17Å; V238-F553 HydrophobicContact CG2-CD1 3.26Å; V238-F553 HydrophobicContact CG2-CE1 3.35Å; V238-M556 HydrophobicContact CG1-CG 4.42Å
239	M	94.8	Very high	90.8	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.8	169.2	-70.8	-60.8	-56.9	0	0	110.1	L250 T251 G253 E254 I256 C392 V393	M239-L250 HydrophobicContact CE-CB 4.33Å; M239-L250 HydrophobicContact CE-CD1 4.42Å; M239-L250 HydrophobicContact CG-CB 4.07Å; M239-L250 HydrophobicContact CG-CD1 4.42Å; M239-L250 HydrophobicContact SD-CD1 4.1Å; M239-T251 VanDerWaalsContact CB-O 3.29Å; M239-T251 WeakPolarHBondContact CB-O 3.24Å; M239-G253 PolarHBondContact O-N 2.96Å; M239-E254 PolarHBondContact N-O 3.45Å; M239-I256 HydrophobicContact CG-CD1 4.16Å; M239-I256 HydrophobicContact CG-CG1 4.42Å; M239-I256 HydrophobicContact CG-CG2 3.94Å; M239-I256 HydrophobicContact SD-CD1 3.75Å; M239-C392 HydrophobicContact CE-CB 3.95Å; M239-V393 HydrophobicContact SD-CG2 4.2Å
240	L	94.3	Very high	91.1	Very high	10 Å²	10	63.9 Å²	63.9	5%	0.052	33%	0.33	C	S	.	.	S	Bend	trans	-80.4	-19.7	178.5	-72.9	171.8	0	0	0	113	L139 H143 V238 C392 W394 M556	L139-L240 HydrophobicContact CD1-CB 3.81Å; L139-L240 HydrophobicContact CD1-CD1 4.5Å; L139-L240 HydrophobicContact CD2-CB 3.66Å; L139-L240 HydrophobicContact CD2-CD1 4.28Å; L139-L240 HydrophobicContact CD2-CG 4.49Å; L139-L240 HydrophobicContact CG-CB 4.33Å; H143-L240 WeakPolarHBondContact NE2-CD1 3.38Å; V238-L240 PolarHBondContact O-N 3.04Å; L240-C392 PolarHBondContact N-O 3.06Å; L240-W394 HydrophobicContact CD1-CB 4.09Å; L240-W394 HydrophobicContact CD1-CE3 4.46Å; L240-W394 HydrophobicContact CD2-CB 3.74Å; L240-W394 HydrophobicContact CD2-CD2 4.46Å; L240-W394 HydrophobicContact CD2-CE3 4.19Å; L240-W394 HydrophobicContact CD2-CG 4.31Å; L240-W394 HydrophobicContact CG-CB 3.74Å; L240-M556 HydrophobicContact CD2-SD 4.36Å
241	C	93.4	Very high	91.4	Very high	1 Å²	1	60 Å²	60	1%	0.007	32%	0.322	C	S	.	.	S	Bend	trans	-148	164.4	177.1	69.1	0	0	0	0	110.4	L139 Y243	L139-C241 HydrophobicContact CD1-CB 4.11Å; C241-Y243 PolarHBondContact O-N 2.9Å
242	D	93.6	Very high	91.5	Very high	65 Å²	65	60.6 Å²	60.6	35%	0.348	33%	0.329	S	S	.	.			trans	-58.4	136	167	-66	-9.5	0	0	0	110.1	L250 T251 A252	D242-L250 CarbonylContact C-O 3.55Å; D242-L250 WeakPolarHBondContact CA-O 3.43Å; D242-T251 WeakPolarHBondContact OD1-CA 3.44Å; D242-A252 PolarHBondContact OD1-N 3.19Å
243	Y	92.7	Very high	91.7	Very high	43 Å²	43	53 Å²	53	17%	0.169	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	106.5	171.9	-174	-107.8	0	0	0	109.1	C241 T245 F248 L250 V388 P389	C241-Y243 PolarHBondContact O-N 2.9Å; Y243-T245 HydrophobicContact CE1-CG2 4.3Å; Y243-F248 AromaticContact CD1-CE2 3.76Å; Y243-F248 HydrophobicContact CD1-CE2 3.76Å; Y243-F248 HydrophobicContact CD1-CZ 4.22Å; Y243-F248 AromaticContact CE1-CE2 3.84Å; Y243-F248 HydrophobicContact CE1-CE2 3.84Å; Y243-F248 AromaticContact CE1-CZ 3.8Å; Y243-F248 HydrophobicContact CE1-CZ 3.8Å; Y243-L250 PolarHBondContact N-O 3.49Å; Y243-L250 PolarHBondContact O-N 3.48Å; Y243-V388 HydrophobicContact CD1-CB 4.11Å; Y243-V388 HydrophobicContact CD1-CG1 3.48Å; Y243-V388 VanDerWaalsContact CD1-CG1 3.48Å; Y243-V388 HydrophobicContact CE1-CB 4.12Å; Y243-V388 HydrophobicContact CE1-CG1 3.66Å; Y243-V388 HydrophobicContact CG-CG1 4.37Å; Y243-P389 HydrophobicContact CE2-CG 4.16Å
244	E	91	Very high	91.8	Very high	128 Å²	128	51.5 Å²	51.5	60%	0.598	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.7	-175.1	63.3	-179.9	-159.6	0	0	112.1	K249	E244-K249 HydrophobicContact CB-CB 4.23Å; E244-K249 HydrophobicContact CB-CD 4.33Å; E244-K249 HydrophobicContact CB-CG 4.06Å; E244-K249 IonicContact OE2-NZ 3.2Å; E244-K249 PolarHBondContact OE2-NZ 2.84Å; E244-K249 VanDerWaalsContact OE2-NZ 3.16Å
245	T	88.5	Confident	91.9	Very high	44 Å²	44	50.4 Å²	50.4	27%	0.27	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	166.3	168	73.5	0	0	0	0	107.9	Y243 K247 F248	Y243-T245 HydrophobicContact CE1-CG2 4.3Å; T245-K247 PolarHBondContact O-N 3.49Å; T245-K247 PolarHBondContact OG1-N 2.83Å; T245-F248 HydrophobicContact CG2-CE1 3.81Å; T245-F248 HydrophobicContact CG2-CE2 4.11Å; T245-F248 HydrophobicContact CG2-CZ 3.54Å; T245-F248 PolarHBondContact N-O 3.39Å; T245-F248 PolarHBondContact O-N 3.14Å; T245-F248 WeakPolarHBondContact OG1-CD1 3.4Å; T245-F248 WeakPolarHBondContact OG1-CE1 3.5Å; T245-F248 PolarHBondContact OG1-N 3.22Å; T245-F248 PolarHBondContact OG1-O 3.32Å
246	P	87.1	Confident	92	Very high	146 Å²	146	49.1 Å²	49.1	95%	0.948	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.6	174.7	-26.4	35.9	0	0	0	114.7
247	K	87.4	Confident	92.2	Very high	163 Å²	163	46.8 Å²	46.8	71%	0.709	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-24.6	-177.1	-64	-171	175.8	-165.9	0	113.9	T245	T245-K247 PolarHBondContact O-N 3.49Å; T245-K247 PolarHBondContact OG1-N 2.83Å
248	F	90.5	Very high	92.2	Very high	42 Å²	42	46.9 Å²	46.9	18%	0.184	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	157.1	-176	65.2	-93.6	0	0	0	110.7	Y243 T245 L250 V384 A386	Y243-F248 AromaticContact CD1-CE2 3.76Å; Y243-F248 HydrophobicContact CD1-CE2 3.76Å; Y243-F248 HydrophobicContact CD1-CZ 4.22Å; Y243-F248 AromaticContact CE1-CE2 3.84Å; Y243-F248 HydrophobicContact CE1-CE2 3.84Å; Y243-F248 AromaticContact CE1-CZ 3.8Å; Y243-F248 HydrophobicContact CE1-CZ 3.8Å; T245-F248 HydrophobicContact CG2-CE1 3.81Å; T245-F248 HydrophobicContact CG2-CE2 4.11Å; T245-F248 HydrophobicContact CG2-CZ 3.54Å; T245-F248 PolarHBondContact N-O 3.39Å; T245-F248 PolarHBondContact O-N 3.14Å; T245-F248 WeakPolarHBondContact OG1-CD1 3.4Å; T245-F248 WeakPolarHBondContact OG1-CE1 3.5Å; T245-F248 PolarHBondContact OG1-N 3.22Å; T245-F248 PolarHBondContact OG1-O 3.32Å; F248-L250 HydrophobicContact CD2-CG 4.33Å; F248-L250 HydrophobicContact CE2-CD1 4.47Å; F248-V384 HydrophobicContact CB-CG1 3.7Å; F248-V384 HydrophobicContact CD2-CG1 4.11Å; F248-V384 HydrophobicContact CG-CG1 4.04Å; F248-A386 HydrophobicContact CD1-CB 4.15Å; F248-A386 HydrophobicContact CD2-CB 3.89Å; F248-A386 HydrophobicContact CE1-CB 3.74Å; F248-A386 HydrophobicContact CE2-CB 3.45Å; F248-A386 VanDerWaalsContact CE2-CB 3.45Å; F248-A386 HydrophobicContact CG-CB 4.24Å; F248-A386 HydrophobicContact CZ-CB 3.38Å
249	K	92.3	Very high	92.1	Very high	108 Å²	108	48 Å²	48	47%	0.47	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.2	173	176.7	166.5	-178.1	153.2	0	108.9	E244 T251	E244-K249 HydrophobicContact CB-CB 4.23Å; E244-K249 HydrophobicContact CB-CD 4.33Å; E244-K249 HydrophobicContact CB-CG 4.06Å; E244-K249 IonicContact OE2-NZ 3.2Å; E244-K249 PolarHBondContact OE2-NZ 2.84Å; E244-K249 VanDerWaalsContact OE2-NZ 3.16Å; K249-T251 HydrophobicContact CG-CG2 4.5Å
250	L	92.8	Very high	91.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.2	168.7	-64	170.4	0	0	0	107.9	M239 D242 Y243 F248 E254 I256 V377 V384 V388	M239-L250 HydrophobicContact CE-CB 4.33Å; M239-L250 HydrophobicContact CE-CD1 4.42Å; M239-L250 HydrophobicContact CG-CB 4.07Å; M239-L250 HydrophobicContact CG-CD1 4.42Å; M239-L250 HydrophobicContact SD-CD1 4.1Å; D242-L250 CarbonylContact C-O 3.55Å; D242-L250 WeakPolarHBondContact CA-O 3.43Å; Y243-L250 PolarHBondContact N-O 3.49Å; Y243-L250 PolarHBondContact O-N 3.48Å; F248-L250 HydrophobicContact CD2-CG 4.33Å; F248-L250 HydrophobicContact CE2-CD1 4.47Å; L250-E254 VanDerWaalsContact CA-OE2 3.28Å; L250-E254 WeakPolarHBondContact CA-OE2 3.27Å; L250-I256 HydrophobicContact CD2-CG2 4.38Å; L250-V377 HydrophobicContact CD1-CG2 3.98Å; L250-V384 HydrophobicContact CD2-CB 4.45Å; L250-V384 HydrophobicContact CD2-CG1 3.99Å; L250-V384 HydrophobicContact CG-CG1 4.45Å; L250-V388 HydrophobicContact CD1-CG1 3.9Å
251	T	92.6	Very high	91.5	Very high	62 Å²	62	48.8 Å²	48.8	38%	0.38	25%	0.254	S	S	.	.			trans	-100.5	152.8	-176.3	53.9	0	0	0	0	112.3	M239 D242 K249 G253 E254	M239-T251 VanDerWaalsContact CB-O 3.29Å; M239-T251 WeakPolarHBondContact CB-O 3.24Å; D242-T251 WeakPolarHBondContact OD1-CA 3.44Å; K249-T251 HydrophobicContact CG-CG2 4.5Å; T251-G253 PolarHBondContact O-N 3.11Å; T251-E254 PolarHBondContact N-OE2 3.1Å; T251-E254 WeakPolarHBondContact O-CB 3.46Å; T251-E254 PolarHBondContact O-N 2.84Å
252	A	92	Very high	91	Very high	31 Å²	31	52.1 Å²	52.1	26%	0.256	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	138.1	170.3	0	0	0	0	0	110.8	D242 E254	D242-A252 PolarHBondContact OD1-N 3.19Å; A252-E254 PolarHBondContact O-N 3.44Å
253	G	89.3	Confident	89.6	Confident	11 Å²	11	49.2 Å²	49.2	11%	0.113	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-9.4	-174.5	0	0	0	0	0	114.5	M239 T251 R255	M239-G253 PolarHBondContact O-N 2.96Å; T251-G253 PolarHBondContact O-N 3.11Å; G253-R255 PolarHBondContact O-N 3.42Å
254	E	92	Very high	88	Confident	43 Å²	43	47.1 Å²	47.1	20%	0.201	25%	0.248	C	C	.	.			trans	-65	129.7	178.5	-171.1	-179.9	164.1	0	0	110.6	V238 M239 L250 T251 A252 S379	V238-E254 CarbonylContact C-O 3.22Å; V238-E254 WeakPolarHBondContact CA-O 3.39Å; M239-E254 PolarHBondContact N-O 3.45Å; L250-E254 VanDerWaalsContact CA-OE2 3.28Å; L250-E254 WeakPolarHBondContact CA-OE2 3.27Å; T251-E254 PolarHBondContact N-OE2 3.1Å; T251-E254 WeakPolarHBondContact O-CB 3.46Å; T251-E254 PolarHBondContact O-N 2.84Å; A252-E254 PolarHBondContact O-N 3.44Å; E254-S379 PolarHBondContact OE1-OG 2.86Å
255	R	93.3	Very high	86.6	Confident	54 Å²	54	42.2 Å²	42.2	20%	0.204	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.3	175.6	-58.6	-179.4	-176.2	-140.5	7.9	110.1	G237 G253 I380 F553 E557	G237-R255 WeakPolarHBondContact O-CA 3.39Å; G253-R255 PolarHBondContact O-N 3.42Å; R255-I380 HydrophobicContact CB-CD1 3.3Å; R255-I380 HydrophobicContact CB-CG1 4.12Å; R255-I380 HydrophobicContact CG-CD1 4.34Å; R255-F553 HydrophobicContact CG-CD1 4.07Å; R255-F553 HydrophobicContact CG-CE1 4.31Å; R255-F553 VanDerWaalsContact CZ-CG 3.46Å; R255-F553 VanDerWaalsContact NH1-CB 3.28Å; R255-E557 IonicContact CZ-OE1 3.9Å; R255-E557 IonicContact NE-OE1 3.81Å; R255-E557 PolarHBondContact NE-OE1 3.16Å; R255-E557 VanDerWaalsContact NE-OE1 3.13Å; R255-E557 IonicContact NH2-OE1 3.34Å; R255-E557 PolarHBondContact NH2-OE1 3.41Å
256	I	94.9	Very high	85.1	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	167.9	-175.4	55.5	157.7	0	0	0	110.4	G237 M239 L250 V377 R378 V393	G237-I256 PolarHBondContact N-O 2.91Å; G237-I256 WeakPolarHBondContact O-CG1 3.47Å; G237-I256 PolarHBondContact O-N 3.44Å; G237-I256 VanDerWaalsContact O-O 3.12Å; M239-I256 HydrophobicContact CG-CD1 4.16Å; M239-I256 HydrophobicContact CG-CG1 4.42Å; M239-I256 HydrophobicContact CG-CG2 3.94Å; M239-I256 HydrophobicContact SD-CD1 3.75Å; L250-I256 HydrophobicContact CD2-CG2 4.38Å; I256-V377 HydrophobicContact CD1-CB 3.76Å; I256-V377 HydrophobicContact CD1-CG1 3.6Å; I256-V377 HydrophobicContact CD1-CG2 4.29Å; I256-R378 CarbonylContact C-O 3.57Å; I256-R378 WeakPolarHBondContact CA-O 3.46Å; I256-V393 HydrophobicContact CD1-CG1 3.95Å; I256-V393 HydrophobicContact CD1-CG2 4.08Å
257	V	95.1	Very high	83.6	Confident	27 Å²	27	42.6 Å²	42.6	16%	0.164	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.7	171.4	179.6	0	0	0	0	108.2	P234 V259 V377 R378	P234-V257 HydrophobicContact CB-CG1 3.56Å; V257-V259 PolarHBondContact O-N 3.02Å; V257-V377 CarbonylContact O-C 3.54Å; V257-V377 VanDerWaalsContact O-CA 3.31Å; V257-V377 WeakPolarHBondContact O-CA 3.3Å; V257-R378 PolarHBondContact N-O 3.17Å; V257-R378 PolarHBondContact O-N 2.95Å
258	I	94.5	Very high	82.1	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.7	173.1	-51.1	168.6	0	0	0	107.2	I231 P234 V235 N261 W375 V377 V393 I395	I231-I258 HydrophobicContact CD1-CB 4.37Å; I231-I258 HydrophobicContact CD1-CG2 3.84Å; I231-I258 WeakPolarHBondContact CD1-O 3.37Å; P234-I258 CarbonylContact C-O 3.52Å; P234-I258 WeakPolarHBondContact CA-O 3.22Å; V235-I258 PolarHBondContact N-O 2.96Å; V235-I258 WeakPolarHBondContact O-CB 3.24Å; V235-I258 PolarHBondContact O-N 2.83Å; I258-N261 HydrophobicContact CG2-CB 4.36Å; I258-W375 HydrophobicContact CD1-CE3 4.14Å; I258-W375 HydrophobicContact CD1-CZ3 3.93Å; I258-W375 HydrophobicContact CG2-CE3 4.16Å; I258-V377 HydrophobicContact CG1-CG1 4.49Å; I258-V393 HydrophobicContact CD1-CG1 3.62Å; I258-V393 HydrophobicContact CG1-CG1 3.91Å; I258-I395 HydrophobicContact CD1-CD1 4.21Å; I258-I395 HydrophobicContact CD1-CG1 3.75Å
259	V	92.7	Very high	80.6	Confident	27 Å²	27	36.7 Å²	36.7	16%	0.164	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-42.6	-176.7	-179.4	0	0	0	0	111.2	V257 H376 R378	V257-V259 PolarHBondContact O-N 3.02Å; V259-H376 PolarHBondContact N-O 2.95Å; V259-R378 HydrophobicContact CG2-CB 4Å
260	D	88.6	Confident	78.9	Confident	25 Å²	25	37.6 Å²	37.6	13%	0.134	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	118.6	175.8	-171.3	-11.5	0	0	0	110.4	R230 M262 A263 H376	R230-D260 IonicContact CZ-OD2 4Å; R230-D260 IonicContact NE-OD1 3.31Å; R230-D260 IonicContact NH2-OD1 2.79Å; R230-D260 IonicContact NH2-OD2 2.62Å; R230-D260 PolarHBondContact NH2-OD2 3.08Å; D260-M262 VanDerWaalsContact C-N 3.27Å; D260-M262 PolarHBondContact O-N 3.25Å; D260-M262 WeakPolarHBondContact OD1-CA 3.44Å; D260-M262 PolarHBondContact OD1-N 2.85Å; D260-A263 HydrophobicContact CB-CB 4.16Å; D260-H376 HydrophobicContact CB-CB 4.18Å; D260-H376 PolarHBondContact N-O 3.26Å; D260-H376 PolarHBondContact O-N 3.08Å
261	N	87.7	Confident	77.3	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.011	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.7	178.5	72	-25.7	0	0	0	113.6	L226 N229 R230 I231 I258 W375	L226-N261 PolarHBondContact O-ND2 3.36Å; N229-N261 PolarHBondContact O-ND2 3.05Å; R230-N261 WeakPolarHBondContact CA-OD1 3.44Å; I231-N261 HydrophobicContact CD1-CB 4.44Å; I231-N261 HydrophobicContact CG1-CB 4.46Å; I231-N261 HydrophobicContact CG2-CB 4.47Å; I231-N261 PolarHBondContact N-OD1 3.28Å; I258-N261 HydrophobicContact CG2-CB 4.36Å; N261-W375 VanDerWaalsContact CA-CD1 3.49Å; N261-W375 HydrophobicContact CB-CD2 3.98Å; N261-W375 HydrophobicContact CB-CG 4.13Å; N261-W375 HydrophobicContact CB-CZ2 4.16Å; N261-W375 PolarHBondContact O-NE1 3.33Å
262	M	81.7	Confident	75.9	Confident	70 Å²	70	42.2 Å²	42.2	35%	0.345	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	15.5	176.4	-60.9	-62.3	-83	0	0	112.3	R230 D260 G264 N268	R230-M262 HydrophobicContact CB-CG 3.99Å; R230-M262 HydrophobicContact CG-CB 4.46Å; R230-M262 HydrophobicContact CG-CG 3.9Å; D260-M262 VanDerWaalsContact C-N 3.27Å; D260-M262 PolarHBondContact O-N 3.25Å; D260-M262 WeakPolarHBondContact OD1-CA 3.44Å; D260-M262 PolarHBondContact OD1-N 2.85Å; M262-G264 PolarHBondContact O-N 3.48Å; M262-G264 VanDerWaalsContact O-N 3.13Å; M262-N268 PolarHBondContact O-ND2 2.94Å
263	A	65.2	Low	74.4	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.033	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.7	-177.3	0	0	0	0	0	114.3	D260 G265 N268 K269 H376 L387	D260-A263 HydrophobicContact CB-CB 4.16Å; A263-G265 VanDerWaalsContact C-N 3.31Å; A263-G265 PolarHBondContact O-N 2.7Å; A263-N268 CarbonylContact O-C 3.59Å; A263-N268 WeakPolarHBondContact O-CB 3.36Å; A263-K269 PolarHBondContact O-N 2.89Å; A263-H376 HydrophobicContact CB-CB 3.44Å; A263-H376 VanDerWaalsContact CB-CB 3.44Å; A263-L387 HydrophobicContact CB-CD2 3.63Å
264	G	59.2	Low	72.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.3	-176.4	0	0	0	0	0	116.8	M262 S371 H374	M262-G264 PolarHBondContact O-N 3.48Å; M262-G264 VanDerWaalsContact O-N 3.13Å; G264-S371 VanDerWaalsContact C-C 3.45Å; G264-S371 CarbonylContact C-O 3.03Å; G264-S371 WeakPolarHBondContact CA-O 3.25Å; G264-S371 CarbonylContact O-C 3.51Å; G264-S371 WeakPolarHBondContact O-CA 3.42Å; G264-S371 WeakPolarHBondContact O-CB 3.43Å; G264-S371 VanDerWaalsContact O-O 3.06Å; G264-S371 PolarHBondContact O-OG 3.33Å; G264-H374 PolarHBondContact N-O 3.46Å; G264-H374 VanDerWaalsContact N-O 3.11Å
265	G	60.9	Low	71.1	Confident	24 Å²	24	55.8 Å²	55.8	25%	0.247	27%	0.273	C	S	.	.	S	Bend	trans	-58.7	148.1	-179.9	0	0	0	0	0	112.7	A263 E267 N268 K269	A263-G265 VanDerWaalsContact C-N 3.31Å; A263-G265 PolarHBondContact O-N 2.7Å; G265-E267 VanDerWaalsContact C-N 3.28Å; G265-E267 PolarHBondContact O-N 3.33Å; G265-N268 CarbonylContact O-C 3.51Å; G265-N268 WeakPolarHBondContact O-CA 3.32Å; G265-N268 PolarHBondContact O-N 3Å; G265-K269 PolarHBondContact O-N 3.39Å
266	V	56.6	Low	69.3	Low	51 Å²	51	54.1 Å²	54.1	31%	0.309	27%	0.269	S	S	.	.	H	α-helix	trans	-51.3	-46.9	-177.6	-179.2	0	0	0	0	111.8	N268 K269 Q270	V266-N268 VanDerWaalsContact C-N 3.31Å; V266-N268 PolarHBondContact O-N 2.89Å; V266-K269 PolarHBondContact O-N 2.97Å; V266-Q270 PolarHBondContact O-N 2.73Å; V266-Q270 VanDerWaalsContact O-N 3.14Å
267	E	55.9	Low	67.4	Low	147 Å²	147	56.6 Å²	56.6	69%	0.687	30%	0.295	S	S	*	.	H	α-helix	trans	-61.3	-38	176.5	-62.5	-176.7	178.7	0	0	113	G265 K271	G265-E267 VanDerWaalsContact C-N 3.28Å; G265-E267 PolarHBondContact O-N 3.33Å; E267-K271 WeakPolarHBondContact O-CG 3.37Å; E267-K271 PolarHBondContact O-N 2.99Å; E267-K271 VanDerWaalsContact O-N 3.12Å
268	N	56.4	Low	65	Low	40 Å²	40	61.8 Å²	61.8	21%	0.214	32%	0.32	C	S	.	.	H	α-helix	trans	-78.1	-34.6	-177.6	-69.4	-20.6	0	0	0	111.8	M262 A263 G265 V266 Q270 K271 F272	M262-N268 PolarHBondContact O-ND2 2.94Å; A263-N268 CarbonylContact O-C 3.59Å; A263-N268 WeakPolarHBondContact O-CB 3.36Å; G265-N268 CarbonylContact O-C 3.51Å; G265-N268 WeakPolarHBondContact O-CA 3.32Å; G265-N268 PolarHBondContact O-N 3Å; V266-N268 VanDerWaalsContact C-N 3.31Å; V266-N268 PolarHBondContact O-N 2.89Å; N268-Q270 VanDerWaalsContact C-N 3.31Å; N268-Q270 PolarHBondContact O-N 2.97Å; N268-K271 PolarHBondContact O-N 3.41Å; N268-F272 WeakPolarHBondContact O-CB 3.47Å; N268-F272 PolarHBondContact O-N 3.36Å
269	K	59.7	Low	62.3	Low	42 Å²	42	67.9 Å²	67.9	18%	0.183	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-42.5	170	-79	-172.5	171.8	-178.8	0	111.2	A263 G265 V266 F272 L273 E361 L387	A263-K269 PolarHBondContact O-N 2.89Å; G265-K269 PolarHBondContact O-N 3.39Å; V266-K269 PolarHBondContact O-N 2.97Å; K269-F272 WeakPolarHBondContact O-CB 3.42Å; K269-F272 PolarHBondContact O-N 3.37Å; K269-L273 VanDerWaalsContact O-CG 3.3Å; K269-L273 WeakPolarHBondContact O-CG 3.41Å; K269-L273 PolarHBondContact O-N 2.96Å; K269-E361 IonicContact NZ-OE1 3.6Å; K269-E361 PolarHBondContact NZ-OE1 3.47Å; K269-L387 HydrophobicContact CG-CD1 3.9Å
270	Q	56.6	Low	59.5	Low	127 Å²	127	72.3 Å²	72.3	59%	0.593	37%	0.372	S	S	*	.	H	α-helix	trans	-66.8	-40.7	178.1	-164.6	162.5	14	0	0	111.7	V266 N268 F272 L273 L274	V266-Q270 PolarHBondContact O-N 2.73Å; V266-Q270 VanDerWaalsContact O-N 3.14Å; N268-Q270 VanDerWaalsContact C-N 3.31Å; N268-Q270 PolarHBondContact O-N 2.97Å; Q270-F272 VanDerWaalsContact C-N 3.35Å; Q270-L273 PolarHBondContact O-N 2.97Å; Q270-L274 PolarHBondContact O-N 3.24Å
271	K	58.5	Low	56.5	Low	137 Å²	137	79.8 Å²	79.8	60%	0.596	41%	0.406	S	S	*	.	H	α-helix	trans	-61.3	-40.8	171.2	-73.3	173.7	-177.1	169.4	0	112.6	E267 N268 L274 R275	E267-K271 WeakPolarHBondContact O-CG 3.37Å; E267-K271 PolarHBondContact O-N 2.99Å; E267-K271 VanDerWaalsContact O-N 3.12Å; N268-K271 PolarHBondContact O-N 3.41Å; K271-L274 PolarHBondContact O-N 3.06Å; K271-R275 WeakPolarHBondContact O-CB 3.47Å; K271-R275 PolarHBondContact O-N 3.49Å
272	F	62.4	Low	53.7	Low	22 Å²	22	88.9 Å²	88.9	10%	0.096	45%	0.448	C	S	.	.	H	α-helix	trans	-61.9	-50.7	175.6	173.1	-93.8	0	0	0	111	N268 K269 Q270 L274 R275 T276 H376 E385 L387	N268-F272 WeakPolarHBondContact O-CB 3.47Å; N268-F272 PolarHBondContact O-N 3.36Å; K269-F272 WeakPolarHBondContact O-CB 3.42Å; K269-F272 PolarHBondContact O-N 3.37Å; Q270-F272 VanDerWaalsContact C-N 3.35Å; F272-L274 VanDerWaalsContact C-N 3.28Å; F272-L274 PolarHBondContact O-N 2.99Å; F272-R275 WeakPolarHBondContact O-CB 3.38Å; F272-R275 PolarHBondContact O-N 2.9Å; F272-T276 HydrophobicContact CD1-CG2 4.43Å; F272-T276 HydrophobicContact CD2-CG2 4.18Å; F272-T276 HydrophobicContact CE1-CG2 3.95Å; F272-T276 HydrophobicContact CE2-CG2 3.67Å; F272-T276 HydrophobicContact CZ-CG2 3.54Å; F272-T276 PolarHBondContact O-N 3.39Å; F272-T276 PolarHBondContact O-OG1 2.9Å; F272-H376 AromaticContact CD2-CD2 3.74Å; F272-H376 AromaticContact CD2-CE1 3.95Å; F272-H376 AromaticContact CD2-CG 3.93Å; F272-H376 AromaticContact CD2-NE2 3.77Å; F272-H376 AromaticContact CE2-CD2 3.37Å; F272-H376 WeakPolarHBondContact CE2-CD2 3.47Å; F272-H376 AromaticContact CE2-NE2 3.45Å; F272-H376 WeakPolarHBondContact CE2-NE2 3.36Å; F272-E385 HydrophobicContact CE2-CG 4.1Å; F272-L387 HydrophobicContact CB-CD1 4.48Å; F272-L387 HydrophobicContact CD1-CD1 3.62Å; F272-L387 HydrophobicContact CD1-CG 3.82Å; F272-L387 HydrophobicContact CD2-CD2 4.41Å; F272-L387 HydrophobicContact CD2-CG 4.3Å; F272-L387 HydrophobicContact CE1-CD1 4.02Å; F272-L387 HydrophobicContact CE1-CG 3.84Å; F272-L387 HydrophobicContact CE2-CG 4.31Å; F272-L387 HydrophobicContact CG-CD1 4.03Å; F272-L387 HydrophobicContact CG-CD2 4.4Å; F272-L387 HydrophobicContact CG-CG 4.06Å; F272-L387 HydrophobicContact CZ-CG 4.09Å
273	L	60.9	Low	51	Low	112 Å²	112	93 Å²	93	59%	0.586	47%	0.472	S	S	*	.	H	α-helix	trans	-59.9	-38	177.9	-70.4	172.5	0	0	0	112.2	K269 Q270 R275 G277	K269-L273 VanDerWaalsContact O-CG 3.3Å; K269-L273 WeakPolarHBondContact O-CG 3.41Å; K269-L273 PolarHBondContact O-N 2.96Å; Q270-L273 PolarHBondContact O-N 2.97Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-G277 PolarHBondContact O-N 3.4Å
274	L	56.7	Low	49	Very low	124 Å²	124	100.7 Å²	100.7	65%	0.649	51%	0.511	S	S	*	.	H	α-helix	trans	-63.1	-40.8	174.2	-129.2	94	0	0	0	111.8	Q270 K271 F272	Q270-L274 PolarHBondContact O-N 3.24Å; K271-L274 PolarHBondContact O-N 3.06Å; F272-L274 VanDerWaalsContact C-N 3.28Å; F272-L274 PolarHBondContact O-N 2.99Å
275	R	56.3	Low	47.4	Very low	133 Å²	133	106.8 Å²	106.8	50%	0.502	55%	0.548	S	S	.	.	H	α-helix	trans	-71.6	-43.3	-178.2	-169.7	-176.8	-175.8	-167.2	0.8	112.3	K271 F272 L273 E385	K271-R275 WeakPolarHBondContact O-CB 3.47Å; K271-R275 PolarHBondContact O-N 3.49Å; F272-R275 WeakPolarHBondContact O-CB 3.38Å; F272-R275 PolarHBondContact O-N 2.9Å; L273-R275 VanDerWaalsContact C-N 3.34Å; R275-E385 IonicContact NH1-OE1 2.95Å
276	T	55.5	Low	45.9	Very low	19 Å²	19	111.6 Å²	111.6	12%	0.117	58%	0.578	C	S	.	*	H	α-helix	trans	-78.9	-27.1	-178.9	58	0	0	0	0	112.6	F272 I278 N279	F272-T276 HydrophobicContact CD1-CG2 4.43Å; F272-T276 HydrophobicContact CD2-CG2 4.18Å; F272-T276 HydrophobicContact CE1-CG2 3.95Å; F272-T276 HydrophobicContact CE2-CG2 3.67Å; F272-T276 HydrophobicContact CZ-CG2 3.54Å; F272-T276 PolarHBondContact O-N 3.39Å; F272-T276 PolarHBondContact O-OG1 2.9Å; T276-I278 PolarHBondContact O-N 3.48Å; T276-N279 PolarHBondContact O-N 2.67Å
277	G	53.2	Low	44.5	Very low	53 Å²	53	118.1 Å²	118.1	55%	0.546	61%	0.605	S	S	.	*	H	α-helix	trans	-66.6	-20	178.7	0	0	0	0	0	114.3	L273 N279	L273-G277 PolarHBondContact O-N 3.4Å; G277-N279 VanDerWaalsContact C-N 3.35Å
278	I	45.4	Very low	43	Very low	137 Å²	137	115.6 Å²	115.6	70%	0.703	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-17.1	178.2	-64.2	169.9	0	0	0	112	T276	T276-I278 PolarHBondContact O-N 3.48Å
279	N	37.5	Very low	41.7	Very low	130 Å²	130	119 Å²	119	70%	0.695	64%	0.636	S	S	*	*	S	Bend	trans	-110.8	9.5	-173	-65.3	-13	0	0	0	114.4	T276 G277	T276-N279 PolarHBondContact O-N 2.67Å; G277-N279 VanDerWaalsContact C-N 3.35Å
280	Q	33.9	Very low	40	Very low	120 Å²	120	125.2 Å²	125.2	56%	0.561	67%	0.665	S	S	*	*			trans	-119.5	57.9	-179.1	-71.5	-175.5	3.4	0	0	111.8
281	E	26.6	Very low	38.6	Very low	182 Å²	182	126.5 Å²	126.5	85%	0.85	68%	0.676	S	S	*	*			trans	-116.2	72.9	156.7	-77.4	-172.1	170.6	0	0	107.5
282	E	27.6	Very low	37.1	Very low	192 Å²	192	127.9 Å²	127.9	90%	0.897	69%	0.687	S	S	*	*	S	Bend	trans	-176.5	142.6	155.9	-101.9	160.9	-148.7	0	0	110
283	D	25.2	Very low	35.4	Very low	157 Å²	157	132.9 Å²	132.9	84%	0.84	72%	0.719	S	S	*	*			trans	73.7	78.6	176.3	-87.1	-12.2	0	0	0	120.1
284	I	24.7	Very low	33.9	Very low	166 Å²	166	133.2 Å²	133.2	85%	0.851	73%	0.731	S	S	*	*			trans	-92.8	99.8	148.2	-57.7	166.4	0	0	0	106.8
285	T	24.9	Very low	32.4	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	74%	0.739	S	S	*	*			trans	171.3	106.9	141.4	47.6	0	0	0	0	109.6
286	S	29	Very low	31.1	Very low	124 Å²	124	134 Å²	134	87%	0.867	75%	0.751	S	S	*	*			trans	-151.2	146.7	151.6	76.7	0	0	0	0	109.9
287	E	26.6	Very low	29.7	Very low	188 Å²	188	140.9 Å²	140.9	88%	0.879	79%	0.785	S	S	*	*			trans	-90.4	160.1	-149.1	-67.9	165.6	146.2	0	0	112.5	S289	E287-S289 PolarHBondContact O-N 2.94Å; E287-S289 VanDerWaalsContact O-N 3.14Å
288	A	25.1	Very low	28.5	Very low	94 Å²	94	145.3 Å²	145.3	78%	0.777	80%	0.797	S	S	*	*			trans	-57.1	111.9	-178	0	0	0	0	0	111.8
289	S	28.4	Very low	27.5	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	80%	0.798	S	S	*	*			trans	-77.6	125.5	168.5	51.8	0	0	0	0	109.8	E287 N291	E287-S289 PolarHBondContact O-N 2.94Å; E287-S289 VanDerWaalsContact O-N 3.14Å; S289-N291 PolarHBondContact O-N 3.45Å
290	H	25.8	Very low	27	Very low	173 Å²	173	144.8 Å²	144.8	80%	0.801	80%	0.801	S	S	*	*			trans	-69.5	120.8	-179.8	-78.7	-87.3	0	0	0	111	M292	H290-M292 PolarHBondContact O-N 2.9Å
291	N	25.1	Very low	26.6	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	81%	0.814	S	S	*	*			trans	-62.9	111.8	167.7	-75.2	-28.4	0	0	0	110	S289	S289-N291 PolarHBondContact O-N 3.45Å
292	M	28.2	Very low	26.8	Very low	166 Å²	166	144.2 Å²	144.2	82%	0.818	81%	0.807	S	S	*	*			trans	-99.4	116.3	161.4	-76.7	-74.7	106.6	0	0	108.6	H290	H290-M292 PolarHBondContact O-N 2.9Å
293	T	25.8	Very low	26.8	Very low	126 Å²	126	142 Å²	142	77%	0.773	80%	0.801	S	S	*	*			trans	-62.6	139.2	169.7	41.4	0	0	0	0	111.8
294	S	29.9	Very low	27.1	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	80%	0.795	S	S	*	*			trans	-149.2	98.3	149.2	-175.5	0	0	0	0	108.4
295	D	24.7	Very low	27.2	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	79%	0.79	S	S	*	*			trans	-68.1	130.7	159.2	-72.6	-41.6	0	0	0	107.9
296	T	28.8	Very low	27.5	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	79%	0.79	S	S	*	*			trans	-173.2	109.6	135.5	-66.1	0	0	0	0	107.4
297	L	26.2	Very low	27.3	Very low	162 Å²	162	139 Å²	139	85%	0.848	78%	0.784	S	S	*	*			trans	-75.8	121.7	166.7	-80.1	151.8	0	0	0	107.9
298	D	28.5	Very low	27.4	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	78%	0.778	S	S	*	*			trans	-125.4	116.6	159.4	-98.2	-25.5	0	0	0	109.1
299	I	24.8	Very low	27.6	Very low	143 Å²	143	140.6 Å²	140.6	73%	0.733	78%	0.778	S	S	*	*			trans	-82.9	110.6	178.1	-64.4	165.9	0	0	0	106.4	E301	I299-E301 HydrophobicContact CG2-CG 4.36Å
300	C	27.9	Very low	27.7	Very low	113 Å²	113	139.7 Å²	139.7	76%	0.764	77%	0.768	S	S	*	*			trans	-113.6	100.5	165.7	-73.6	0	0	0	0	108.5	T302	C300-T302 PolarHBondContact O-N 3.1Å
301	E	25.5	Very low	28.1	Very low	175 Å²	175	138.6 Å²	138.6	82%	0.818	76%	0.763	S	S	*	*			trans	-67.1	118.2	160.2	-66.4	176.9	165.4	0	0	107.8	I299	I299-E301 HydrophobicContact CG2-CG 4.36Å
302	T	30.2	Very low	28.6	Very low	115 Å²	115	137.8 Å²	137.8	71%	0.706	76%	0.755	S	S	*	*			trans	-130.4	99.5	166.5	-44.3	0	0	0	0	108.3	C300	C300-T302 PolarHBondContact O-N 3.1Å
303	D	26.9	Very low	29	Very low	146 Å²	146	134.6 Å²	134.6	78%	0.781	74%	0.74	S	S	*	*			trans	-56.9	130.5	163.3	-68.1	-40.8	0	0	0	109.4
304	S	31.9	Very low	29.4	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	73%	0.733	S	S	*	*			trans	-142.6	78.4	169.9	-62.5	0	0	0	0	108.1	S306	S304-S306 PolarHBondContact O-N 2.92Å; S304-S306 VanDerWaalsContact O-N 3.07Å
305	D	27.8	Very low	29.9	Very low	138 Å²	138	132.2 Å²	132.2	74%	0.738	71%	0.713	S	S	*	*			trans	-55.9	103.4	163.9	-71.9	-38	0	0	0	109.8
306	S	29.5	Very low	30.5	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	71%	0.706	S	S	*	*			trans	-108.6	81.9	162.9	59.1	0	0	0	0	109.1	S304 S308	S304-S306 PolarHBondContact O-N 2.92Å; S304-S306 VanDerWaalsContact O-N 3.07Å; S306-S308 PolarHBondContact O-N 3.46Å; S306-S308 VanDerWaalsContact O-N 3.09Å
307	H	26.5	Very low	31	Very low	159 Å²	159	131 Å²	131	74%	0.736	70%	0.695	S	S	*	*			trans	-68.5	98.8	169	-72.1	-55	0	0	0	110.4	R309	H307-R309 PolarHBondContact O-N 3.48Å; H307-R309 VanDerWaalsContact O-N 3.16Å
308	S	28.2	Very low	31.2	Very low	109 Å²	109	129.3 Å²	129.3	76%	0.762	69%	0.691	S	S	*	*			trans	-74.9	93.2	162.4	173.5	0	0	0	0	109.2	S306 T310	S306-S308 PolarHBondContact O-N 3.46Å; S306-S308 VanDerWaalsContact O-N 3.09Å; S308-T310 PolarHBondContact O-N 3.25Å
309	R	29.1	Very low	31.3	Very low	207 Å²	207	128.9 Å²	128.9	78%	0.781	69%	0.689	S	S	*	*			trans	-68.1	107	169.7	-82.2	173.1	63.8	155.3	-2.9	109.1	H307 E311	H307-R309 PolarHBondContact O-N 3.48Å; H307-R309 VanDerWaalsContact O-N 3.16Å; R309-E311 IonicContact NH2-OE1 2.77Å
310	T	30.3	Very low	31.7	Very low	92 Å²	92	127 Å²	127	56%	0.564	69%	0.689	S	S	*	*			trans	-82.8	112.9	165.9	-53.9	0	0	0	0	107.1	S308 E312	S308-T310 PolarHBondContact O-N 3.25Å; T310-E312 PolarHBondContact O-N 3.19Å
311	E	34.7	Very low	31.7	Very low	149 Å²	149	129.2 Å²	129.2	70%	0.696	69%	0.693	S	S	*	*			trans	-75.3	104.5	171.5	-62.1	-139.1	149.7	0	0	108.6	R309	R309-E311 IonicContact NH2-OE1 2.77Å
312	E	34.6	Very low	32	Very low	138 Å²	138	124.8 Å²	124.8	65%	0.645	68%	0.681	S	S	*	*			trans	-75.6	126.4	166.2	-71.3	-165.1	135.7	0	0	109.2	T310 D314	T310-E312 PolarHBondContact O-N 3.19Å; E312-D314 PolarHBondContact O-N 3.43Å
313	I	37.1	Very low	31.9	Very low	99 Å²	99	127.1 Å²	127.1	51%	0.508	68%	0.678	S	S	.	*			trans	-72.3	112	165.2	-61.5	174.3	0	0	0	106.7	Y206 D315	Y206-I313 HydrophobicContact CD2-CD1 3.94Å; Y206-I313 HydrophobicContact CD2-CG1 4.38Å; Y206-I313 HydrophobicContact CG-CD1 4.01Å; I313-D315 PolarHBondContact O-N 3.23Å
314	D	35	Very low	32	Very low	118 Å²	118	125.4 Å²	125.4	63%	0.631	67%	0.669	S	S	*	*			trans	-68.4	102.4	171.8	-168.2	1.7	0	0	0	109	E312 R316	E312-D314 PolarHBondContact O-N 3.43Å; D314-R316 PolarHBondContact O-N 3.04Å; D314-R316 WeakPolarHBondContact OD1-CG 3.26Å
315	D	39.9	Very low	31.7	Very low	77 Å²	77	132.5 Å²	132.5	41%	0.412	68%	0.679	S	S	.	*			trans	-79.4	39.6	-180	-162.1	20	0	0	0	111.5	R167 K170 I313 S317	R167-D315 IonicContact NH2-OD2 2.64Å; K170-D315 IonicContact NZ-OD1 3.34Å; K170-D315 IonicContact NZ-OD2 3.14Å; K170-D315 PolarHBondContact NZ-OD2 3.49Å; I313-D315 PolarHBondContact O-N 3.23Å; D315-S317 PolarHBondContact O-N 3.28Å
316	R	37.6	Very low	31.8	Very low	176 Å²	176	132.7 Å²	132.7	66%	0.664	67%	0.671	S	S	*	*			trans	-71.3	63	167.1	-85.4	178.8	171.4	-167.3	-4.6	110.1	D314 T318	D314-R316 PolarHBondContact O-N 3.04Å; D314-R316 WeakPolarHBondContact OD1-CG 3.26Å; R316-T318 PolarHBondContact O-N 2.87Å
317	S	38	Very low	31.8	Very low	75 Å²	75	133.1 Å²	133.1	52%	0.524	67%	0.671	S	S	.	*			trans	-81.2	106.9	158.5	160.1	0	0	0	0	107.3	D315 D319	D315-S317 PolarHBondContact O-N 3.28Å; S317-D319 PolarHBondContact O-N 3.14Å
318	T	30.3	Very low	31.7	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	67%	0.674	S	S	*	*			trans	-70.2	66.3	179	-35.9	0	0	0	0	111.6	R316 S320	R316-T318 PolarHBondContact O-N 2.87Å; T318-S320 PolarHBondContact O-N 2.66Å
319	D	32.4	Very low	31.6	Very low	138 Å²	138	134.5 Å²	134.5	74%	0.738	67%	0.673	S	S	*	*			trans	-97.6	84.6	166.3	-80.8	-9.7	0	0	0	108.8	S317 N321	S317-D319 PolarHBondContact O-N 3.14Å; D319-N321 VanDerWaalsContact C-N 3.34Å; D319-N321 PolarHBondContact O-N 3.29Å
320	S	31.2	Very low	31.5	Very low	104 Å²	104	136 Å²	136	73%	0.727	68%	0.678	S	S	*	*			trans	-59.2	95.1	161.2	-60.7	0	0	0	0	108.7	T318	T318-S320 PolarHBondContact O-N 2.66Å
321	N	29.6	Very low	31.3	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	69%	0.685	S	S	*	*			trans	171.9	148.3	145.3	-92	-34.5	0	0	0	113.4	D319	D319-N321 VanDerWaalsContact C-N 3.34Å; D319-N321 PolarHBondContact O-N 3.29Å
322	S	31.7	Very low	30.9	Very low	81 Å²	81	136.7 Å²	136.7	57%	0.566	69%	0.686	S	S	*	*			trans	92.8	76.4	163.1	-170.3	0	0	0	0	117.5	L324	S322-L324 PolarHBondContact O-N 3.37Å
323	Y	27.4	Very low	30.4	Very low	164 Å²	164	136.1 Å²	136.1	64%	0.643	69%	0.692	S	S	*	*			trans	-49.5	106.7	150.6	-56.1	-91.2	0	0	0	111.7
324	L	28.9	Very low	29.9	Very low	111 Å²	111	139 Å²	139	58%	0.581	71%	0.706	S	S	*	*			trans	-133.5	112.8	157.8	-76.7	176.5	0	0	0	110	S322 Y326	S322-L324 PolarHBondContact O-N 3.37Å; L324-Y326 HydrophobicContact CB-CD2 4.26Å; L324-Y326 HydrophobicContact CB-CE2 3.48Å; L324-Y326 VanDerWaalsContact CB-CE2 3.48Å; L324-Y326 VanDerWaalsContact CD1-OH 3.29Å; L324-Y326 WeakPolarHBondContact CD1-OH 3.07Å; L324-Y326 WeakPolarHBondContact O-CD2 3.36Å; L324-Y326 WeakPolarHBondContact O-CE2 3.38Å; L324-Y326 PolarHBondContact O-N 2.89Å
325	R	25.1	Very low	29.4	Very low	251 Å²	251	137.7 Å²	137.7	95%	0.947	70%	0.703	S	S	*	*			trans	-66	102.7	174.7	-179.1	-177.5	-70.3	-162.1	-3.2	108.7
326	Y	31.1	Very low	28.7	Very low	143 Å²	143	139 Å²	139	56%	0.561	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-103.6	140.9	174.9	-64.9	-76.1	0	0	0	111.1	L324 K328	L324-Y326 HydrophobicContact CB-CD2 4.26Å; L324-Y326 HydrophobicContact CB-CE2 3.48Å; L324-Y326 VanDerWaalsContact CB-CE2 3.48Å; L324-Y326 VanDerWaalsContact CD1-OH 3.29Å; L324-Y326 WeakPolarHBondContact CD1-OH 3.07Å; L324-Y326 WeakPolarHBondContact O-CD2 3.36Å; L324-Y326 WeakPolarHBondContact O-CE2 3.38Å; L324-Y326 PolarHBondContact O-N 2.89Å; Y326-K328 PolarHBondContact O-N 3.37Å
327	P	29.2	Very low	28	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-67.7	127.2	-178	24.9	-30.6	0	0	0	111.1
328	K	25.1	Very low	27.4	Very low	184 Å²	184	142.8 Å²	142.8	80%	0.8	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-50.8	125.5	172.5	-73.9	179.3	175.7	178.1	0	109.5	Y326 R330	Y326-K328 PolarHBondContact O-N 3.37Å; K328-R330 PolarHBondContact O-N 3.06Å
329	P	26.3	Very low	27.1	Very low	113 Å²	113	146 Å²	146	73%	0.734	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-61.4	134.1	170.5	-2.5	11	0	0	0	109	I331	P329-I331 VanDerWaalsContact C-N 3.34Å; P329-I331 PolarHBondContact O-N 3.48Å
330	R	25.2	Very low	26.7	Very low	238 Å²	238	142.7 Å²	142.7	90%	0.898	73%	0.734	S	S	*	*			trans	-64.3	93.2	173.9	-165.6	-179.9	-150	150.9	3.7	107.7	K328 T332	K328-R330 PolarHBondContact O-N 3.06Å; R330-T332 PolarHBondContact O-N 3.17Å
331	I	27.4	Very low	26.3	Very low	137 Å²	137	148.8 Å²	148.8	70%	0.703	74%	0.741	S	S	*	*			trans	-64.4	107	170.8	-64.9	177.3	0	0	0	106.4	P329 T333	P329-I331 VanDerWaalsContact C-N 3.34Å; P329-I331 PolarHBondContact O-N 3.48Å; I331-T333 PolarHBondContact O-N 3.01Å
332	T	25.4	Very low	26	Very low	118 Å²	118	144.5 Å²	144.5	72%	0.724	73%	0.733	S	S	*	*			trans	-58.6	105	174	-25.4	0	0	0	0	108	R330	R330-T332 PolarHBondContact O-N 3.17Å
333	T	25.3	Very low	25.7	Very low	126 Å²	126	148.7 Å²	148.7	77%	0.773	74%	0.744	S	S	*	*			trans	48.1	80.7	154.2	49	0	0	0	0	116.1	I331	I331-T333 PolarHBondContact O-N 3.01Å
334	M	25.7	Very low	25.5	Very low	160 Å²	160	147.7 Å²	147.7	79%	0.788	76%	0.756	S	S	*	*			trans	-79.5	129.3	151.8	-163.6	156.4	125.6	0	0	107.8	C336	M334-C336 PolarHBondContact O-N 3.29Å; M334-C336 VanDerWaalsContact O-N 3.12Å
335	P	24.9	Very low	25.4	Very low	90 Å²	90	147.1 Å²	147.1	58%	0.584	76%	0.761	S	S	*	*			trans	-63.1	116.3	175.9	-15.5	28.4	0	0	0	108.7	W337	P335-W337 PolarHBondContact O-N 2.91Å
336	C	24.2	Very low	25.3	Very low	104 Å²	104	139 Å²	139	70%	0.703	76%	0.755	S	S	*	*			trans	-64	105.9	165.1	37.1	0	0	0	0	107.4	M334 N338	M334-C336 PolarHBondContact O-N 3.29Å; M334-C336 VanDerWaalsContact O-N 3.12Å; C336-N338 PolarHBondContact O-N 3.37Å
337	W	24.7	Very low	25.1	Very low	191 Å²	191	136.7 Å²	136.7	72%	0.723	76%	0.76	S	S	*	*			trans	-70.4	86.7	167.3	-64	96.8	0	0	0	107.5	P335 F339	P335-W337 PolarHBondContact O-N 2.91Å; W337-F339 VanDerWaalsContact C-N 3.29Å; W337-F339 PolarHBondContact O-N 3.29Å
338	N	23.7	Very low	24.7	Very low	140 Å²	140	134.9 Å²	134.9	75%	0.749	76%	0.764	S	S	*	*			trans	-66.9	95.6	166.9	-77.1	-23	0	0	0	107	C336 G340	C336-N338 PolarHBondContact O-N 3.37Å; N338-G340 VanDerWaalsContact C-N 3.33Å; N338-G340 PolarHBondContact O-N 3.23Å
339	F	24.9	Very low	24.7	Very low	192 Å²	192	131.4 Å²	131.4	84%	0.842	76%	0.758	S	S	*	*			trans	-56.9	106.9	158.5	-91	-86.9	0	0	0	106.4	W337 R341	W337-F339 VanDerWaalsContact C-N 3.29Å; W337-F339 PolarHBondContact O-N 3.29Å; F339-R341 PolarHBondContact O-N 3.21Å
340	G	23.6	Very low	24.6	Very low	70 Å²	70	133 Å²	133	72%	0.722	77%	0.766	S	S	*	*			trans	-55.3	105.6	-175.5	0	0	0	0	0	109.4	N338 G342	N338-G340 VanDerWaalsContact C-N 3.33Å; N338-G340 PolarHBondContact O-N 3.23Å; G340-G342 VanDerWaalsContact C-N 3.34Å; G340-G342 PolarHBondContact O-N 2.69Å
341	R	23.3	Very low	24.7	Very low	232 Å²	232	125.7 Å²	125.7	88%	0.875	75%	0.751	S	S	*	*			trans	-51.5	107.4	153.6	-173.7	-173.7	-64.8	-104.9	0.6	104.9	F339 Q343	F339-R341 PolarHBondContact O-N 3.21Å; R341-Q343 PolarHBondContact O-N 3.26Å
342	G	23.8	Very low	24.7	Very low	68 Å²	68	124.5 Å²	124.5	70%	0.701	76%	0.755	S	S	*	*			trans	-49.3	103	-177.1	0	0	0	0	0	109.1	G340 T344	G340-G342 VanDerWaalsContact C-N 3.34Å; G340-G342 PolarHBondContact O-N 2.69Å; G342-T344 PolarHBondContact O-N 2.62Å; G342-T344 VanDerWaalsContact O-N 3.1Å
343	Q	25.2	Very low	24.8	Very low	169 Å²	169	124.9 Å²	124.9	79%	0.79	75%	0.753	S	S	*	*			trans	-71	109.9	168.2	-72.9	-171.6	23.7	0	0	104.8	R341 S345	R341-Q343 PolarHBondContact O-N 3.26Å; Q343-S345 PolarHBondContact O-N 3.38Å
344	T	23.5	Very low	25	Very low	144 Å²	144	128 Å²	128	88%	0.883	76%	0.758	S	S	*	*			trans	-64.1	72.8	164.2	45.3	0	0	0	0	108	G342 G346	G342-T344 PolarHBondContact O-N 2.62Å; G342-T344 VanDerWaalsContact O-N 3.1Å; T344-G346 PolarHBondContact O-N 3.33Å
345	S	26.1	Very low	25.2	Very low	98 Å²	98	124.3 Å²	124.3	69%	0.685	75%	0.745	S	S	*	*			trans	-74.4	83	170.4	-67.8	0	0	0	0	107.9	Q343 S347	Q343-S345 PolarHBondContact O-N 3.38Å; S345-S347 PolarHBondContact O-N 3.38Å; S345-S347 VanDerWaalsContact O-N 3.14Å
346	G	22.5	Very low	25.7	Very low	81 Å²	81	125.9 Å²	125.9	84%	0.835	76%	0.758	S	S	*	*			trans	-62.4	104.1	157	0	0	0	0	0	108.2	T344	T344-G346 PolarHBondContact O-N 3.33Å
347	S	26.2	Very low	26.2	Very low	94 Å²	94	122.9 Å²	122.9	66%	0.657	74%	0.738	S	S	*	*			trans	-147.8	95.4	164.2	169.6	0	0	0	0	106.4	S345 T349	S345-S347 PolarHBondContact O-N 3.38Å; S345-S347 VanDerWaalsContact O-N 3.14Å; S347-T349 PolarHBondContact O-N 2.98Å; S347-T349 VanDerWaalsContact O-N 3.14Å
348	G	22.6	Very low	27	Very low	84 Å²	84	117.6 Å²	117.6	87%	0.866	73%	0.727	S	S	*	*			trans	-62.9	111.6	168.2	0	0	0	0	0	109
349	T	25	Very low	28	Very low	111 Å²	111	119.6 Å²	119.6	68%	0.681	73%	0.73	S	S	*	*			trans	-122.9	104.1	157.8	-43.3	0	0	0	0	106.3	S347 S351	S347-T349 PolarHBondContact O-N 2.98Å; S347-T349 VanDerWaalsContact O-N 3.14Å; T349-S351 VanDerWaalsContact C-N 3.26Å; T349-S351 PolarHBondContact O-N 3.29Å
350	T	23	Very low	29.3	Very low	146 Å²	146	115.2 Å²	115.2	90%	0.896	72%	0.718	S	S	*	*			trans	-68.4	83.7	169.4	50.8	0	0	0	0	108.2
351	S	28.3	Very low	30.6	Very low	84 Å²	84	113.3 Å²	113.3	59%	0.587	69%	0.691	S	S	*	*			trans	-103.7	106.7	162.7	61.3	0	0	0	0	108.1	T349 D353	T349-S351 VanDerWaalsContact C-N 3.26Å; T349-S351 PolarHBondContact O-N 3.29Å; S351-D353 PolarHBondContact O-N 2.9Å
352	S	26.3	Very low	31.7	Very low	112 Å²	112	107.9 Å²	107.9	78%	0.783	68%	0.679	S	S	*	*			trans	-73.3	51.3	178.1	56.2	0	0	0	0	112.1	Q354	S352-Q354 PolarHBondContact O-N 3.38Å
353	D	27.9	Very low	33.1	Very low	127 Å²	127	107.8 Å²	107.8	68%	0.679	67%	0.665	S	S	*	*			trans	-82.3	107.7	170.4	-73.7	-24.5	0	0	0	107.4	S351 T355	S351-D353 PolarHBondContact O-N 2.9Å; D353-T355 PolarHBondContact O-N 3.14Å
354	Q	29.8	Very low	34.4	Very low	190 Å²	190	101.4 Å²	101.4	89%	0.888	64%	0.639	S	S	*	*			trans	-65.2	70.6	172.6	-64.8	175.1	50.9	0	0	108.9	S352 S356	S352-Q354 PolarHBondContact O-N 3.38Å; Q354-S356 PolarHBondContact O-N 3.01Å
355	T	30.3	Very low	35.8	Very low	84 Å²	84	98.3 Å²	98.3	52%	0.515	62%	0.621	S	S	.	*			trans	-68.2	120.1	163.4	57.6	0	0	0	0	105.9	D353 S357	D353-T355 PolarHBondContact O-N 3.14Å; T355-S357 PolarHBondContact O-N 3.49Å
356	S	34.9	Very low	37	Very low	123 Å²	123	98.6 Å²	98.6	86%	0.86	62%	0.615	S	S	*	*			trans	-60.7	72.9	173.6	-61.1	0	0	0	0	110.6	Q354 T358	Q354-S356 PolarHBondContact O-N 3.01Å; S356-T358 PolarHBondContact O-N 2.94Å
357	S	35.3	Very low	38.4	Very low	41 Å²	41	96.2 Å²	96.2	29%	0.287	59%	0.59	S	S	.	*			trans	-64.9	119.6	167.9	65	0	0	0	0	106.1	T355 F359 N362	T355-S357 PolarHBondContact O-N 3.49Å; S357-F359 PolarHBondContact O-N 3.39Å; S357-N362 PolarHBondContact OG-ND2 3.41Å; S357-N362 VanDerWaalsContact OG-ND2 3.08Å; S357-N362 PolarHBondContact OG-OD1 3.33Å
358	T	41	Very low	39.4	Very low	80 Å²	80	97.9 Å²	97.9	49%	0.491	59%	0.587	S	S	.	*			trans	-56.2	141.4	169.7	18.4	0	0	0	0	108.5	S356 T360 E361	S356-T358 PolarHBondContact O-N 2.94Å; T358-T360 PolarHBondContact O-N 3.39Å; T358-E361 WeakPolarHBondContact O-CB 3.3Å; T358-E361 PolarHBondContact O-N 2.88Å; T358-E361 WeakPolarHBondContact OG1-CG 3.42Å
359	F	44.6	Very low	40.6	Very low	182 Å²	182	97.4 Å²	97.4	80%	0.798	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-28.8	-177.4	-168.3	-94.8	0	0	0	112.5	S357 V363	S357-F359 PolarHBondContact O-N 3.39Å; F359-V363 WeakPolarHBondContact O-CG2 3.39Å
360	T	52.8	Low	41.8	Very low	99 Å²	99	93.9 Å²	93.9	61%	0.607	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-29	175.5	53.4	0	0	0	0	114.1	T358 N362 V363 S364	T358-T360 PolarHBondContact O-N 3.39Å; T360-N362 VanDerWaalsContact C-N 3.32Å; T360-V363 WeakPolarHBondContact O-CB 3.28Å; T360-V363 PolarHBondContact O-N 3.42Å; T360-V363 VanDerWaalsContact O-N 3.08Å; T360-S364 PolarHBondContact O-N 3.47Å
361	E	50.6	Low	43.2	Very low	30 Å²	30	87.3 Å²	87.3	14%	0.14	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-68.7	-33.2	176.7	-72.4	-175.3	161.7	0	0	111.5	K269 T358 V363 S364	K269-E361 IonicContact NZ-OE1 3.6Å; K269-E361 PolarHBondContact NZ-OE1 3.47Å; T358-E361 WeakPolarHBondContact O-CB 3.3Å; T358-E361 PolarHBondContact O-N 2.88Å; T358-E361 WeakPolarHBondContact OG1-CG 3.42Å; E361-V363 PolarHBondContact O-N 2.83Å; E361-S364 WeakPolarHBondContact O-CB 3.45Å; E361-S364 PolarHBondContact O-N 2.98Å
362	N	46.8	Very low	44.8	Very low	118 Å²	118	89.4 Å²	89.4	63%	0.631	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-67.5	-13.3	172.2	-66.8	-31.5	0	0	0	113	S357 T360	S357-N362 PolarHBondContact OG-ND2 3.41Å; S357-N362 VanDerWaalsContact OG-ND2 3.08Å; S357-N362 PolarHBondContact OG-OD1 3.33Å; T360-N362 VanDerWaalsContact C-N 3.32Å
363	V	53	Low	47.4	Very low	67 Å²	67	88.9 Å²	88.9	41%	0.406	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-97.4	-17.7	178.6	-177.1	0	0	0	0	111.7	F359 T360 E361 P365	F359-V363 WeakPolarHBondContact O-CG2 3.39Å; T360-V363 WeakPolarHBondContact O-CB 3.28Å; T360-V363 PolarHBondContact O-N 3.42Å; T360-V363 VanDerWaalsContact O-N 3.08Å; E361-V363 PolarHBondContact O-N 2.83Å; V363-P365 VanDerWaalsContact O-CD 3.23Å; V363-P365 WeakPolarHBondContact O-CD 3.2Å
364	S	53	Low	50.3	Low	35 Å²	35	84.7 Å²	84.7	25%	0.245	47%	0.474	C	S	.	.			trans	-60.7	119.9	173.8	-75.5	0	0	0	0	109.8	T360 E361 L366 G367	T360-S364 PolarHBondContact O-N 3.47Å; E361-S364 WeakPolarHBondContact O-CB 3.45Å; E361-S364 PolarHBondContact O-N 2.98Å; S364-L366 PolarHBondContact O-N 3.18Å; S364-G367 WeakPolarHBondContact O-CA 3.37Å; S364-G367 PolarHBondContact O-N 2.99Å
365	P	52.7	Low	53.2	Low	78 Å²	78	76 Å²	76	51%	0.506	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.7	-178	-25.8	38.7	0	0	0	113.8	F100 V363 G367	F100-P365 HydrophobicContact CE2-CB 3.4Å; F100-P365 VanDerWaalsContact CE2-CB 3.4Å; F100-P365 HydrophobicContact CE2-CG 3.97Å; F100-P365 HydrophobicContact CZ-CB 3.42Å; F100-P365 VanDerWaalsContact CZ-CB 3.42Å; F100-P365 HydrophobicContact CZ-CG 3.52Å; V363-P365 VanDerWaalsContact O-CD 3.23Å; V363-P365 WeakPolarHBondContact O-CD 3.2Å; P365-G367 PolarHBondContact O-N 3.26Å
366	L	51.2	Low	56.2	Low	105 Å²	105	72.6 Å²	72.6	55%	0.55	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.5	169.7	-91.6	76.2	0	0	0	113	S364 S369	S364-L366 PolarHBondContact O-N 3.18Å; L366-S369 WeakPolarHBondContact O-CB 3.25Å; L366-S369 PolarHBondContact O-N 2.96Å
367	G	50.4	Low	59	Low	31 Å²	31	66.8 Å²	66.8	32%	0.32	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	56.4	-144.7	-172.2	0	0	0	0	0	112.3	S364 P365 S369 S370	S364-G367 WeakPolarHBondContact O-CA 3.37Å; S364-G367 PolarHBondContact O-N 2.99Å; P365-G367 PolarHBondContact O-N 3.26Å; G367-S369 PolarHBondContact O-N 3.11Å; G367-S370 PolarHBondContact O-N 2.98Å; G367-S370 VanDerWaalsContact O-N 3.14Å
368	Q	47.6	Very low	61.9	Low	128 Å²	128	68 Å²	68	60%	0.598	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-57.6	-19.4	177.8	-68	175.5	-9.5	0	0	113.3	S370 S371	Q368-S370 VanDerWaalsContact C-N 3.3Å; Q368-S370 PolarHBondContact O-N 3.47Å; Q368-S371 PolarHBondContact O-N 3.5Å; Q368-S371 PolarHBondContact O-OG 3.14Å
369	S	48.3	Very low	64.3	Low	74 Å²	74	64.7 Å²	64.7	52%	0.517	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-69.9	-22.9	177.9	-61.8	0	0	0	0	113.6	L366 G367 S371 K372	L366-S369 WeakPolarHBondContact O-CB 3.25Å; L366-S369 PolarHBondContact O-N 2.96Å; G367-S369 PolarHBondContact O-N 3.11Å; S369-S371 PolarHBondContact O-N 2.97Å; S369-K372 WeakPolarHBondContact O-CB 3.36Å; S369-K372 PolarHBondContact O-N 3.07Å; S369-K372 VanDerWaalsContact O-N 3.14Å
370	S	49.5	Very low	66.4	Low	38 Å²	38	61.2 Å²	61.2	27%	0.266	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-62.1	-33.5	177.6	171.4	0	0	0	0	112	G367 Q368 K372 H374	G367-S370 PolarHBondContact O-N 2.98Å; G367-S370 VanDerWaalsContact O-N 3.14Å; Q368-S370 VanDerWaalsContact C-N 3.3Å; Q368-S370 PolarHBondContact O-N 3.47Å; S370-K372 PolarHBondContact O-N 3.31Å; S370-H374 PolarHBondContact O-ND1 3.25Å
371	S	52.2	Low	68.1	Low	8 Å²	8	60.7 Å²	60.7	6%	0.056	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-62.6	-37	178.7	83.1	0	0	0	0	110.4	G264 Q368 S369 L373 H374	G264-S371 VanDerWaalsContact C-C 3.45Å; G264-S371 CarbonylContact C-O 3.03Å; G264-S371 WeakPolarHBondContact CA-O 3.25Å; G264-S371 CarbonylContact O-C 3.51Å; G264-S371 WeakPolarHBondContact O-CA 3.42Å; G264-S371 WeakPolarHBondContact O-CB 3.43Å; G264-S371 VanDerWaalsContact O-O 3.06Å; G264-S371 PolarHBondContact O-OG 3.33Å; Q368-S371 PolarHBondContact O-N 3.5Å; Q368-S371 PolarHBondContact O-OG 3.14Å; S369-S371 PolarHBondContact O-N 2.97Å; S371-L373 PolarHBondContact O-N 3.33Å; S371-H374 PolarHBondContact O-N 3.28Å; S371-H374 VanDerWaalsContact O-N 3.08Å; S371-H374 PolarHBondContact O-ND1 2.88Å
372	K	62.5	Low	69.8	Low	127 Å²	127	61.2 Å²	61.2	55%	0.552	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-54.1	-23.6	-176.3	-163.2	176.6	179.4	-179.3	0	115.2	S369 S370	S369-K372 WeakPolarHBondContact O-CB 3.36Å; S369-K372 PolarHBondContact O-N 3.07Å; S369-K372 VanDerWaalsContact O-N 3.14Å; S370-K372 PolarHBondContact O-N 3.31Å
373	L	80.3	Confident	71.7	Confident	101 Å²	101	63.7 Å²	63.7	53%	0.529	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-97.7	12.4	-176.7	-59.7	177.8	0	0	0	114.1	S371 S390	S371-L373 PolarHBondContact O-N 3.33Å; L373-S390 WeakPolarHBondContact O-CB 3.49Å; L373-S390 PolarHBondContact O-N 3Å; L373-S390 PolarHBondContact O-OG 3.32Å
374	H	88.3	Confident	73.4	Confident	40 Å²	40	62.2 Å²	62.2	19%	0.185	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.6	172.1	-67.4	71	0	0	0	111.1	G264 S370 S371 V388	G264-H374 PolarHBondContact N-O 3.46Å; G264-H374 VanDerWaalsContact N-O 3.11Å; S370-H374 PolarHBondContact O-ND1 3.25Å; S371-H374 PolarHBondContact O-N 3.28Å; S371-H374 VanDerWaalsContact O-N 3.08Å; S371-H374 PolarHBondContact O-ND1 2.88Å; H374-V388 CarbonylContact C-O 3.58Å; H374-V388 VanDerWaalsContact CA-O 3.27Å; H374-V388 WeakPolarHBondContact CA-O 3.34Å
375	W	91.9	Very high	75.2	Confident	8 Å²	8	62.3 Å²	62.3	3%	0.03	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.7	177.2	-68.4	-2.2	0	0	0	110.5	R227 I258 N261 V377 L387 V388 V393 I395	R227-W375 HydrophobicContact CB-CH2 3.94Å; R227-W375 HydrophobicContact CB-CZ2 3.98Å; R227-W375 HydrophobicContact CG-CH2 3.87Å; R227-W375 HydrophobicContact CG-CZ2 4.42Å; I258-W375 HydrophobicContact CD1-CE3 4.14Å; I258-W375 HydrophobicContact CD1-CZ3 3.93Å; I258-W375 HydrophobicContact CG2-CE3 4.16Å; N261-W375 VanDerWaalsContact CA-CD1 3.49Å; N261-W375 HydrophobicContact CB-CD2 3.98Å; N261-W375 HydrophobicContact CB-CG 4.13Å; N261-W375 HydrophobicContact CB-CZ2 4.16Å; N261-W375 PolarHBondContact O-NE1 3.33Å; W375-V377 HydrophobicContact CB-CG1 4.43Å; W375-L387 WeakPolarHBondContact O-CA 3.02Å; W375-V388 PolarHBondContact N-O 3.29Å; W375-V388 PolarHBondContact O-N 3.26Å; W375-V393 HydrophobicContact CE3-CB 3.81Å; W375-V393 HydrophobicContact CE3-CG1 3.84Å; W375-V393 HydrophobicContact CE3-CG2 4.2Å; W375-V393 HydrophobicContact CZ3-CB 3.98Å; W375-V393 HydrophobicContact CZ3-CG1 3.85Å; W375-I395 HydrophobicContact CH2-CD1 4.07Å; W375-I395 HydrophobicContact CZ3-CD1 4.2Å; W375-I395 HydrophobicContact CZ3-CG1 4.33Å
376	H	92.9	Very high	77	Confident	11 Å²	11	58.6 Å²	58.6	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.1	172.3	173.5	-161.3	0	0	0	108.9	V259 D260 A263 F272 E385 A386 L387	V259-H376 PolarHBondContact N-O 2.95Å; D260-H376 HydrophobicContact CB-CB 4.18Å; D260-H376 PolarHBondContact N-O 3.26Å; D260-H376 PolarHBondContact O-N 3.08Å; A263-H376 HydrophobicContact CB-CB 3.44Å; A263-H376 VanDerWaalsContact CB-CB 3.44Å; F272-H376 AromaticContact CD2-CD2 3.74Å; F272-H376 AromaticContact CD2-CE1 3.95Å; F272-H376 AromaticContact CD2-CG 3.93Å; F272-H376 AromaticContact CD2-NE2 3.77Å; F272-H376 AromaticContact CE2-CD2 3.37Å; F272-H376 WeakPolarHBondContact CE2-CD2 3.47Å; F272-H376 AromaticContact CE2-NE2 3.45Å; F272-H376 WeakPolarHBondContact CE2-NE2 3.36Å; H376-E385 IonicContact CE1-OE1 3.16Å; H376-E385 PolarHBondContact CE1-OE1 2.65Å; H376-E385 VanDerWaalsContact CE1-OE1 3.31Å; H376-E385 WeakPolarHBondContact NE2-CG 3.38Å; H376-E385 IonicContact NE2-OE1 3.94Å; H376-E385 PolarHBondContact NE2-OE1 3.2Å; H376-E385 IonicContact NE2-OE2 3.92Å; H376-A386 WeakPolarHBondContact CA-O 3.29Å; H376-L387 HydrophobicContact CB-CD2 3.89Å
377	V	94.2	Very high	78.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.3	-178.6	-56.5	0	0	0	0	110.5	L250 I256 V257 I258 W375 E385 A386 V388 V393	L250-V377 HydrophobicContact CD1-CG2 3.98Å; I256-V377 HydrophobicContact CD1-CB 3.76Å; I256-V377 HydrophobicContact CD1-CG1 3.6Å; I256-V377 HydrophobicContact CD1-CG2 4.29Å; V257-V377 CarbonylContact O-C 3.54Å; V257-V377 VanDerWaalsContact O-CA 3.31Å; V257-V377 WeakPolarHBondContact O-CA 3.3Å; I258-V377 HydrophobicContact CG1-CG1 4.49Å; W375-V377 HydrophobicContact CB-CG1 4.43Å; V377-E385 WeakPolarHBondContact O-CA 3.37Å; V377-A386 HydrophobicContact CG2-CB 4.39Å; V377-A386 PolarHBondContact N-O 3.12Å; V377-A386 PolarHBondContact O-N 3.5Å; V377-V388 HydrophobicContact CB-CG2 4.41Å; V377-V388 HydrophobicContact CG1-CG2 3.69Å; V377-V388 HydrophobicContact CG2-CB 4.39Å; V377-V388 HydrophobicContact CG2-CG1 3.65Å; V377-V388 HydrophobicContact CG2-CG2 3.78Å; V377-V393 HydrophobicContact CG1-CG2 4.11Å
378	R	95.2	Very high	80.8	Confident	66 Å²	66	53.4 Å²	53.4	25%	0.249	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.8	174.1	-167.8	-171.2	-61.9	132	5.4	109.2	I256 V257 V259 V384 E385	I256-R378 CarbonylContact C-O 3.57Å; I256-R378 WeakPolarHBondContact CA-O 3.46Å; V257-R378 PolarHBondContact N-O 3.17Å; V257-R378 PolarHBondContact O-N 2.95Å; V259-R378 HydrophobicContact CG2-CB 4Å; R378-V384 CarbonylContact C-O 3.46Å; R378-V384 WeakPolarHBondContact CA-O 3.03Å; R378-V384 WeakPolarHBondContact CG-O 3.48Å; R378-E385 HydrophobicContact CB-CG 4.39Å; R378-E385 HydrophobicContact CG-CB 4.37Å; R378-E385 HydrophobicContact CG-CG 4.4Å; R378-E385 IonicContact CZ-OE1 2.65Å; R378-E385 IonicContact NE-OE1 2.69Å; R378-E385 PolarHBondContact NE-OE1 3.5Å; R378-E385 VanDerWaalsContact NE-OE1 3.16Å; R378-E385 IonicContact NH2-OE1 3.72Å; R378-E385 PolarHBondContact NH2-OE1 2.92Å
379	S	92.6	Very high	82.9	Confident	11 Å²	11	48.2 Å²	48.2	8%	0.077	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	155.3	169.2	-170.2	0	0	0	0	110.4	E254 D381 G382 V384	E254-S379 PolarHBondContact OE1-OG 2.86Å; S379-D381 PolarHBondContact O-N 2.92Å; S379-G382 WeakPolarHBondContact O-CA 3.48Å; S379-G382 PolarHBondContact O-N 3.49Å; S379-V384 PolarHBondContact N-O 3.15Å
380	I	88.4	Confident	85	Confident	109 Å²	109	45.6 Å²	45.6	56%	0.559	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.6	-177.9	-74.1	-176	0	0	0	111.9	R255 G382	R255-I380 HydrophobicContact CB-CD1 3.3Å; R255-I380 HydrophobicContact CB-CG1 4.12Å; R255-I380 HydrophobicContact CG-CD1 4.34Å; I380-G382 PolarHBondContact O-N 2.88Å
381	D	87.7	Confident	87.1	Confident	88 Å²	88	45.3 Å²	45.3	47%	0.471	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.9	178.4	74	-4.7	0	0	0	113.3	S379 K383	S379-D381 PolarHBondContact O-N 2.92Å; D381-K383 HydrophobicContact CB-CG 4.46Å; D381-K383 PolarHBondContact O-N 2.69Å; D381-K383 WeakPolarHBondContact OD1-CB 3.31Å; D381-K383 PolarHBondContact OD1-N 3.3Å; D381-K383 WeakPolarHBondContact OD2-CD 3.5Å; D381-K383 WeakPolarHBondContact OD2-CE 3.48Å; D381-K383 WeakPolarHBondContact OD2-CG 3.47Å; D381-K383 IonicContact OD2-NZ 2.62Å; D381-K383 PolarHBondContact OD2-NZ 3.43Å
382	G	86.2	Confident	89.1	Confident	41 Å²	41	44.9 Å²	44.9	42%	0.423	23%	0.231	S	C	.	.	S	Bend	trans	76.8	-0.2	178.9	0	0	0	0	0	115.3	S379 I380	S379-G382 WeakPolarHBondContact O-CA 3.48Å; S379-G382 PolarHBondContact O-N 3.49Å; I380-G382 PolarHBondContact O-N 2.88Å
383	K	86.5	Confident	90.7	Very high	171 Å²	171	38.9 Å²	38.9	74%	0.743	21%	0.205	S	C	*	.	S	Bend	trans	-77.7	-32.9	-173.6	-63	-175.6	-161	130	0	113.3	D381	D381-K383 HydrophobicContact CB-CG 4.46Å; D381-K383 PolarHBondContact O-N 2.69Å; D381-K383 WeakPolarHBondContact OD1-CB 3.31Å; D381-K383 PolarHBondContact OD1-N 3.3Å; D381-K383 WeakPolarHBondContact OD2-CD 3.5Å; D381-K383 WeakPolarHBondContact OD2-CE 3.48Å; D381-K383 WeakPolarHBondContact OD2-CG 3.47Å; D381-K383 IonicContact OD2-NZ 2.62Å; D381-K383 PolarHBondContact OD2-NZ 3.43Å
384	V	88.8	Confident	91.3	Very high	35 Å²	35	35 Å²	35	21%	0.212	18%	0.183	C	C	.	.			trans	-107.6	125.9	179.6	179.3	0	0	0	0	109.3	F248 L250 R378 S379 A386	F248-V384 HydrophobicContact CB-CG1 3.7Å; F248-V384 HydrophobicContact CD2-CG1 4.11Å; F248-V384 HydrophobicContact CG-CG1 4.04Å; L250-V384 HydrophobicContact CD2-CB 4.45Å; L250-V384 HydrophobicContact CD2-CG1 3.99Å; L250-V384 HydrophobicContact CG-CG1 4.45Å; R378-V384 CarbonylContact C-O 3.46Å; R378-V384 WeakPolarHBondContact CA-O 3.03Å; R378-V384 WeakPolarHBondContact CG-O 3.48Å; S379-V384 PolarHBondContact N-O 3.15Å; V384-A386 HydrophobicContact CG1-CB 4.44Å
385	E	91.8	Very high	91.6	Very high	37 Å²	37	33.4 Å²	33.4	17%	0.173	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.1	172.2	-163.7	172.3	-131.4	0	0	108.4	F272 R275 H376 V377 R378	F272-E385 HydrophobicContact CE2-CG 4.1Å; R275-E385 IonicContact NH1-OE1 2.95Å; H376-E385 IonicContact CE1-OE1 3.16Å; H376-E385 PolarHBondContact CE1-OE1 2.65Å; H376-E385 VanDerWaalsContact CE1-OE1 3.31Å; H376-E385 WeakPolarHBondContact NE2-CG 3.38Å; H376-E385 IonicContact NE2-OE1 3.94Å; H376-E385 PolarHBondContact NE2-OE1 3.2Å; H376-E385 IonicContact NE2-OE2 3.92Å; V377-E385 WeakPolarHBondContact O-CA 3.37Å; R378-E385 HydrophobicContact CB-CG 4.39Å; R378-E385 HydrophobicContact CG-CB 4.37Å; R378-E385 HydrophobicContact CG-CG 4.4Å; R378-E385 IonicContact CZ-OE1 2.65Å; R378-E385 IonicContact NE-OE1 2.69Å; R378-E385 PolarHBondContact NE-OE1 3.5Å; R378-E385 VanDerWaalsContact NE-OE1 3.16Å; R378-E385 IonicContact NH2-OE1 3.72Å; R378-E385 PolarHBondContact NH2-OE1 2.92Å
386	A	89.9	Confident	91.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.3	-163.8	0	0	0	0	0	113.2	F248 H376 V377 V384 V388	F248-A386 HydrophobicContact CD1-CB 4.15Å; F248-A386 HydrophobicContact CD2-CB 3.89Å; F248-A386 HydrophobicContact CE1-CB 3.74Å; F248-A386 HydrophobicContact CE2-CB 3.45Å; F248-A386 VanDerWaalsContact CE2-CB 3.45Å; F248-A386 HydrophobicContact CG-CB 4.24Å; F248-A386 HydrophobicContact CZ-CB 3.38Å; H376-A386 WeakPolarHBondContact CA-O 3.29Å; V377-A386 HydrophobicContact CG2-CB 4.39Å; V377-A386 PolarHBondContact N-O 3.12Å; V377-A386 PolarHBondContact O-N 3.5Å; V384-A386 HydrophobicContact CG1-CB 4.44Å; A386-V388 HydrophobicContact CB-CG1 4.38Å
387	L	91.3	Very high	91.4	Very high	27 Å²	27	33.2 Å²	33.2	14%	0.141	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.6	165.6	-70.3	171.8	0	0	0	109.4	A263 K269 F272 W375 H376	A263-L387 HydrophobicContact CB-CD2 3.63Å; K269-L387 HydrophobicContact CG-CD1 3.9Å; F272-L387 HydrophobicContact CB-CD1 4.48Å; F272-L387 HydrophobicContact CD1-CD1 3.62Å; F272-L387 HydrophobicContact CD1-CG 3.82Å; F272-L387 HydrophobicContact CD2-CD2 4.41Å; F272-L387 HydrophobicContact CD2-CG 4.3Å; F272-L387 HydrophobicContact CE1-CD1 4.02Å; F272-L387 HydrophobicContact CE1-CG 3.84Å; F272-L387 HydrophobicContact CE2-CG 4.31Å; F272-L387 HydrophobicContact CG-CD1 4.03Å; F272-L387 HydrophobicContact CG-CD2 4.4Å; F272-L387 HydrophobicContact CG-CG 4.06Å; F272-L387 HydrophobicContact CZ-CG 4.09Å; W375-L387 WeakPolarHBondContact O-CA 3.02Å; H376-L387 HydrophobicContact CB-CD2 3.89Å
388	V	91.4	Very high	91.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.1	-178.5	-54.8	0	0	0	0	110.4	Y243 L250 H374 W375 V377 A386 S390 V393	Y243-V388 HydrophobicContact CD1-CB 4.11Å; Y243-V388 HydrophobicContact CD1-CG1 3.48Å; Y243-V388 VanDerWaalsContact CD1-CG1 3.48Å; Y243-V388 HydrophobicContact CE1-CB 4.12Å; Y243-V388 HydrophobicContact CE1-CG1 3.66Å; Y243-V388 HydrophobicContact CG-CG1 4.37Å; L250-V388 HydrophobicContact CD1-CG1 3.9Å; H374-V388 CarbonylContact C-O 3.58Å; H374-V388 VanDerWaalsContact CA-O 3.27Å; H374-V388 WeakPolarHBondContact CA-O 3.34Å; W375-V388 PolarHBondContact N-O 3.29Å; W375-V388 PolarHBondContact O-N 3.26Å; V377-V388 HydrophobicContact CB-CG2 4.41Å; V377-V388 HydrophobicContact CG1-CG2 3.69Å; V377-V388 HydrophobicContact CG2-CB 4.39Å; V377-V388 HydrophobicContact CG2-CG1 3.65Å; V377-V388 HydrophobicContact CG2-CG2 3.78Å; A386-V388 HydrophobicContact CB-CG1 4.38Å; V388-S390 PolarHBondContact O-N 3.28Å; V388-V393 HydrophobicContact CG2-CG2 3.46Å; V388-V393 VanDerWaalsContact CG2-CG2 3.46Å
389	P	91.9	Very high	90.9	Very high	18 Å²	18	30.2 Å²	30.2	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	132	170.3	-24	34.4	0	0	0	110.6	Y136 Y243 V391 C392	Y136-P389 HydrophobicContact CE2-CB 4.46Å; Y136-P389 HydrophobicContact CE2-CG 4.19Å; Y243-P389 HydrophobicContact CE2-CG 4.16Å; P389-V391 HydrophobicContact CB-CG1 4.14Å; P389-V391 PolarHBondContact O-N 2.96Å; P389-V391 VanDerWaalsContact O-N 3.11Å; P389-C392 VanDerWaalsContact O-CB 3.32Å; P389-C392 WeakPolarHBondContact O-CB 3.48Å; P389-C392 PolarHBondContact O-N 3.27Å
390	S	92	Very high	90.7	Very high	19 Å²	19	32.8 Å²	32.8	13%	0.133	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.5	-27.8	-176.9	56.9	0	0	0	0	113.7	R227 L373 V388 C392 V393	R227-S390 PolarHBondContact NH2-O 2.99Å; L373-S390 WeakPolarHBondContact O-CB 3.49Å; L373-S390 PolarHBondContact O-N 3Å; L373-S390 PolarHBondContact O-OG 3.32Å; V388-S390 PolarHBondContact O-N 3.28Å; S390-C392 PolarHBondContact O-N 3.41Å; S390-V393 PolarHBondContact O-N 3.09Å
391	V	92.8	Very high	90.7	Very high	32 Å²	32	32.9 Å²	32.9	19%	0.194	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-61.9	-27.8	176.1	70.5	0	0	0	0	112.5	Y136 L139 A140 H143 P389 V393	Y136-V391 HydrophobicContact CD1-CG1 4.41Å; Y136-V391 HydrophobicContact CD2-CG1 4.14Å; Y136-V391 HydrophobicContact CG-CG1 4.02Å; L139-V391 HydrophobicContact CB-CG2 3.89Å; A140-V391 HydrophobicContact CB-CG2 4.5Å; H143-V391 PolarHBondContact NE2-O 3.35Å; P389-V391 HydrophobicContact CB-CG1 4.14Å; P389-V391 PolarHBondContact O-N 2.96Å; P389-V391 VanDerWaalsContact O-N 3.11Å; V391-V393 VanDerWaalsContact C-N 3.26Å; V391-V393 PolarHBondContact O-N 3.08Å
392	C	95	Very high	91	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-77.4	-8.8	-179.5	-59.1	0	0	0	0	113.9	Y136 M239 L240 P389 S390	Y136-C392 WeakPolarHBondContact CE1-SG 3.45Å; Y136-C392 VanDerWaalsContact CZ-SG 3.53Å; M239-C392 HydrophobicContact CE-CB 3.95Å; L240-C392 PolarHBondContact N-O 3.06Å; P389-C392 VanDerWaalsContact O-CB 3.32Å; P389-C392 WeakPolarHBondContact O-CB 3.48Å; P389-C392 PolarHBondContact O-N 3.27Å; S390-C392 PolarHBondContact O-N 3.41Å
393	V	95	Very high	91.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.1	-173.7	179.7	0	0	0	0	110.1	H143 R227 V238 M239 I256 I258 W375 V377 V388 S390 V391	H143-V393 PolarHBondContact CE1-O 2.81Å; H143-V393 VanDerWaalsContact CE1-O 3.3Å; R227-V393 PolarHBondContact NH2-O 3.39Å; V238-V393 CarbonylContact O-C 3.56Å; M239-V393 HydrophobicContact SD-CG2 4.2Å; I256-V393 HydrophobicContact CD1-CG1 3.95Å; I256-V393 HydrophobicContact CD1-CG2 4.08Å; I258-V393 HydrophobicContact CD1-CG1 3.62Å; I258-V393 HydrophobicContact CG1-CG1 3.91Å; W375-V393 HydrophobicContact CE3-CB 3.81Å; W375-V393 HydrophobicContact CE3-CG1 3.84Å; W375-V393 HydrophobicContact CE3-CG2 4.2Å; W375-V393 HydrophobicContact CZ3-CB 3.98Å; W375-V393 HydrophobicContact CZ3-CG1 3.85Å; V377-V393 HydrophobicContact CG1-CG2 4.11Å; V388-V393 HydrophobicContact CG2-CG2 3.46Å; V388-V393 VanDerWaalsContact CG2-CG2 3.46Å; S390-V393 PolarHBondContact O-N 3.09Å; V391-V393 VanDerWaalsContact C-N 3.26Å; V391-V393 PolarHBondContact O-N 3.08Å
394	W	94.4	Very high	91.4	Very high	21 Å²	21	23.8 Å²	23.8	8%	0.08	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.4	170.7	175	-95.1	0	0	0	110.1	I142 N146 V222 G237 V238 L240 M556	I142-W394 HydrophobicContact CG2-CE3 3.98Å; I142-W394 HydrophobicContact CG2-CZ3 3.46Å; I142-W394 VanDerWaalsContact CG2-CZ3 3.46Å; N146-W394 WeakPolarHBondContact ND2-CH2 3.37Å; N146-W394 WeakPolarHBondContact ND2-CZ3 3.47Å; N146-W394 WeakPolarHBondContact OD1-CH2 3.34Å; N146-W394 WeakPolarHBondContact OD1-CZ3 3.29Å; V222-W394 HydrophobicContact CG2-CH2 3.59Å; V222-W394 HydrophobicContact CG2-CZ2 3.27Å; G237-W394 CarbonylContact C-O 3.59Å; G237-W394 WeakPolarHBondContact CA-O 3.39Å; V238-W394 HydrophobicContact CB-CB 4.23Å; V238-W394 PolarHBondContact N-O 3.33Å; V238-W394 PolarHBondContact O-N 3.17Å; L240-W394 HydrophobicContact CD1-CB 4.09Å; L240-W394 HydrophobicContact CD1-CE3 4.46Å; L240-W394 HydrophobicContact CD2-CB 3.74Å; L240-W394 HydrophobicContact CD2-CD2 4.46Å; L240-W394 HydrophobicContact CD2-CE3 4.19Å; L240-W394 HydrophobicContact CD2-CG 4.31Å; L240-W394 HydrophobicContact CG-CB 3.74Å; W394-M556 HydrophobicContact CD2-CE 3.75Å; W394-M556 HydrophobicContact CE3-CE 4.07Å; W394-M556 HydrophobicContact CG-CE 4.22Å; W394-M556 HydrophobicContact CH2-CE 4.01Å; W394-M556 HydrophobicContact CZ2-CE 3.73Å; W394-M556 HydrophobicContact CZ3-CE 4.13Å
395	I	93.4	Very high	91.5	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-102.6	121	169	-57.3	179.7	0	0	0	106.1	V222 P223 L226 R227 V235 I258 W375	V222-I395 VanDerWaalsContact CG1-O 3.29Å; V222-I395 WeakPolarHBondContact CG1-O 3.35Å; P223-I395 HydrophobicContact CG-CG2 3.79Å; L226-I395 HydrophobicContact CB-CD1 3.62Å; L226-I395 HydrophobicContact CD1-CG2 4.14Å; R227-I395 HydrophobicContact CG-CD1 4.04Å; V235-I395 HydrophobicContact CG1-CG2 4.1Å; I258-I395 HydrophobicContact CD1-CD1 4.21Å; I258-I395 HydrophobicContact CD1-CG1 3.75Å; W375-I395 HydrophobicContact CH2-CD1 4.07Å; W375-I395 HydrophobicContact CZ3-CD1 4.2Å; W375-I395 HydrophobicContact CZ3-CG1 4.33Å
396	P	90.8	Very high	91.6	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.032	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-66.1	151.6	-175.3	30.9	-38.3	0	0	0	112.5	N236 F553	N236-P396 WeakPolarHBondContact O-CD 3.35Å; P396-F553 HydrophobicContact CB-CD1 4.47Å; P396-F553 HydrophobicContact CB-CE1 4.13Å; P396-F553 HydrophobicContact CB-CE2 4.32Å; P396-F553 HydrophobicContact CB-CZ 4.04Å; P396-F553 HydrophobicContact CG-CE1 3.93Å; P396-F553 HydrophobicContact CG-CE2 4.07Å; P396-F553 HydrophobicContact CG-CZ 3.54Å
397	S	89.8	Confident	91.7	Very high	10 Å²	10	23.1 Å²	23.1	7%	0.07	12%	0.116	C	C	.	.	S	Bend	trans	-72.3	162.3	164.8	69	0	0	0	0	110	K219 L221 Q549 S552	K219-S397 PolarHBondContact O-OG 2.88Å; L221-S397 WeakPolarHBondContact O-CA 3.48Å; L221-S397 WeakPolarHBondContact O-CB 3.34Å; S397-Q549 WeakPolarHBondContact O-CA 3.35Å; S397-Q549 WeakPolarHBondContact O-CG 3.22Å; S397-S552 PolarHBondContact N-OG 3Å; S397-S552 WeakPolarHBondContact O-CB 3.44Å; S397-S552 VanDerWaalsContact OG-CB 3.27Å; S397-S552 WeakPolarHBondContact OG-CB 3.47Å; S397-S552 PolarHBondContact OG-OG 3.39Å
398	P	88.8	Confident	91.6	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.026	13%	0.132	C	C	.	.	P	Polyproline II helix	cis	-86.8	160.1	-1.5	34.9	-33.1	0	0	0	114	K219 L221 M400 Q403 L545 L548	K219-P398 WeakPolarHBondContact O-CB 3.29Å; L221-P398 CarbonylContact O-C 3.39Å; L221-P398 WeakPolarHBondContact O-CA 3.5Å; P398-M400 HydrophobicContact CG-SD 4.46Å; P398-Q403 HydrophobicContact CB-CG 4.2Å; P398-Q403 VanDerWaalsContact CG-NE2 3.29Å; P398-L545 HydrophobicContact CG-CD1 3.61Å; P398-L548 HydrophobicContact CG-CB 4.16Å; P398-L548 HydrophobicContact CG-CD1 4.34Å
399	D	90.4	Very high	91.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-76.9	117.8	160.9	177.9	156.1	0	0	0	110.3	F150 L221 P223 Y225 E401 A402 Q403	F150-D399 WeakPolarHBondContact CE2-OD1 3.43Å; L221-D399 HydrophobicContact CB-CB 4.22Å; L221-D399 HydrophobicContact CD2-CB 4.36Å; L221-D399 PolarHBondContact O-N 3.27Å; P223-D399 HydrophobicContact CB-CB 4.06Å; Y225-D399 VanDerWaalsContact CE1-OD1 3.31Å; Y225-D399 WeakPolarHBondContact CE1-OD1 3.37Å; D399-E401 WeakPolarHBondContact OD2-CA 3.26Å; D399-E401 WeakPolarHBondContact OD2-CB 3.43Å; D399-E401 PolarHBondContact OD2-N 3Å; D399-A402 HydrophobicContact CB-CB 3.78Å; D399-A402 PolarHBondContact O-N 2.67Å; D399-A402 PolarHBondContact OD2-N 3.42Å; D399-Q403 WeakPolarHBondContact O-CG 3.46Å; D399-Q403 PolarHBondContact O-N 3.19Å
400	M	87.7	Confident	91.8	Very high	66 Å²	66	26.9 Å²	26.9	33%	0.325	13%	0.13	S	C	.	.	H	α-helix	trans	-68.8	-37.5	-178.3	-67.6	-53.1	-66.1	0	0	113.9	P398 A402 Q403 E404 L545	P398-M400 HydrophobicContact CG-SD 4.46Å; M400-A402 VanDerWaalsContact C-N 3.33Å; M400-Q403 PolarHBondContact O-N 2.9Å; M400-E404 WeakPolarHBondContact O-CB 3.42Å; M400-E404 PolarHBondContact O-N 3.36Å; M400-L545 HydrophobicContact CE-CB 4.49Å; M400-L545 HydrophobicContact CE-CD1 4.39Å; M400-L545 HydrophobicContact CE-CD2 3.93Å; M400-L545 HydrophobicContact CE-CG 4.49Å; M400-L545 HydrophobicContact CG-CD1 4.19Å; M400-L545 HydrophobicContact CG-CD2 4.15Å; M400-L545 HydrophobicContact SD-CB 4.27Å; M400-L545 HydrophobicContact SD-CD1 3.2Å; M400-L545 WeakPolarHBondContact SD-CD1 3.27Å; M400-L545 HydrophobicContact SD-CD2 3.6Å; M400-L545 VanDerWaalsContact SD-CD2 3.6Å; M400-L545 HydrophobicContact SD-CG 3.85Å
401	E	90.4	Very high	91.7	Very high	110 Å²	110	30.3 Å²	30.3	51%	0.514	14%	0.143	S	C	.	.	H	α-helix	trans	-68.6	-38.6	179.1	-65.3	-179.4	-156.1	0	0	110.2	Y225 D399 K405	Y225-E401 PolarHBondContact OH-OE1 3Å; D399-E401 WeakPolarHBondContact OD2-CA 3.26Å; D399-E401 WeakPolarHBondContact OD2-CB 3.43Å; D399-E401 PolarHBondContact OD2-N 3Å; E401-K405 VanDerWaalsContact O-CB 3.26Å; E401-K405 WeakPolarHBondContact O-CB 3.4Å; E401-K405 PolarHBondContact O-N 3Å
402	A	93.1	Very high	91.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-46.2	174.6	0	0	0	0	0	111.9	F153 Y154 L221 D399 M400 K405 A406	F153-A402 HydrophobicContact CD1-CB 4.06Å; F153-A402 HydrophobicContact CE1-CB 3.51Å; F153-A402 HydrophobicContact CZ-CB 3.95Å; F153-A402 VanDerWaalsContact CZ-O 3.28Å; F153-A402 WeakPolarHBondContact CZ-O 3.43Å; Y154-A402 HydrophobicContact CE2-CB 4.34Å; Y154-A402 PolarHBondContact OH-N 3.26Å; L221-A402 HydrophobicContact CD2-CB 3.48Å; L221-A402 VanDerWaalsContact CD2-CB 3.48Å; D399-A402 HydrophobicContact CB-CB 3.78Å; D399-A402 PolarHBondContact O-N 2.67Å; D399-A402 PolarHBondContact OD2-N 3.42Å; M400-A402 VanDerWaalsContact C-N 3.33Å; A402-K405 PolarHBondContact O-N 2.91Å; A402-A406 PolarHBondContact O-N 2.89Å
403	Q	91.1	Very high	91.5	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.056	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-47.5	175.8	-75	-163.2	-0.2	0	0	111.9	P398 D399 M400 K405 A406 I407	P398-Q403 HydrophobicContact CB-CG 4.2Å; P398-Q403 VanDerWaalsContact CG-NE2 3.29Å; D399-Q403 WeakPolarHBondContact O-CG 3.46Å; D399-Q403 PolarHBondContact O-N 3.19Å; M400-Q403 PolarHBondContact O-N 2.9Å; Q403-K405 VanDerWaalsContact C-N 3.3Å; Q403-K405 PolarHBondContact O-N 3.02Å; Q403-A406 PolarHBondContact O-N 3.38Å; Q403-I407 WeakPolarHBondContact O-CB 3.48Å; Q403-I407 VanDerWaalsContact O-CG1 3.31Å; Q403-I407 WeakPolarHBondContact O-CG1 3.12Å; Q403-I407 PolarHBondContact O-N 3.36Å
404	E	89.6	Confident	91.3	Very high	97 Å²	97	32.9 Å²	32.9	45%	0.453	16%	0.157	S	C	.	.	H	α-helix	trans	-60.6	-43	178.8	-170	-174.1	-171.6	0	0	110.9	M400 I407 K408	M400-E404 WeakPolarHBondContact O-CB 3.42Å; M400-E404 PolarHBondContact O-N 3.36Å; E404-I407 PolarHBondContact O-N 2.86Å; E404-K408 HydrophobicContact CG-CD 4.1Å; E404-K408 HydrophobicContact CG-CG 4.46Å; E404-K408 WeakPolarHBondContact O-CB 3.46Å; E404-K408 VanDerWaalsContact O-CG 3.3Å; E404-K408 WeakPolarHBondContact O-CG 3.47Å; E404-K408 PolarHBondContact O-N 2.9Å; E404-K408 WeakPolarHBondContact OE1-CE 3.36Å; E404-K408 IonicContact OE1-NZ 3.33Å; E404-K408 PolarHBondContact OE1-NZ 2.62Å; E404-K408 IonicContact OE2-NZ 3.85Å
405	K	91.6	Very high	91.1	Very high	47 Å²	47	36.9 Å²	36.9	20%	0.204	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-47.6	175.7	-177.3	175	175.6	64.3	0	111.9	Y154 E161 E401 A402 Q403 I407 K408 L409	Y154-K405 HydrophobicContact CD1-CD 3.8Å; Y154-K405 HydrophobicContact CE1-CD 3.51Å; E161-K405 IonicContact OE1-NZ 2.69Å; E161-K405 PolarHBondContact OE1-NZ 3.46Å; E161-K405 IonicContact OE2-NZ 3.22Å; E401-K405 VanDerWaalsContact O-CB 3.26Å; E401-K405 WeakPolarHBondContact O-CB 3.4Å; E401-K405 PolarHBondContact O-N 3Å; A402-K405 PolarHBondContact O-N 2.91Å; Q403-K405 VanDerWaalsContact C-N 3.3Å; Q403-K405 PolarHBondContact O-N 3.02Å; K405-I407 VanDerWaalsContact C-N 3.35Å; K405-I407 PolarHBondContact O-N 3.42Å; K405-K408 PolarHBondContact O-N 3.08Å; K405-L409 WeakPolarHBondContact O-CB 3.3Å; K405-L409 PolarHBondContact O-N 3.17Å
406	A	94.2	Very high	90.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-44	179.3	0	0	0	0	0	111.7	F153 L214 I215 A402 Q403 L409 Y410	F153-A406 HydrophobicContact CE2-CB 4.16Å; F153-A406 HydrophobicContact CZ-CB 4.02Å; L214-A406 HydrophobicContact CB-CB 4.41Å; I215-A406 HydrophobicContact CG1-CB 3.83Å; A402-A406 PolarHBondContact O-N 2.89Å; Q403-A406 PolarHBondContact O-N 3.38Å; A406-L409 PolarHBondContact O-N 3.36Å; A406-Y410 PolarHBondContact O-N 3.49Å
407	I	91	Very high	91	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.062	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-44.6	178.4	-70.2	168	0	0	0	111.3	I215 Q403 E404 K405 L409 Y410 K411 I537 L541	I215-I407 HydrophobicContact CD1-CG1 4.48Å; I215-I407 HydrophobicContact CG1-CG1 4.5Å; Q403-I407 WeakPolarHBondContact O-CB 3.48Å; Q403-I407 VanDerWaalsContact O-CG1 3.31Å; Q403-I407 WeakPolarHBondContact O-CG1 3.12Å; Q403-I407 PolarHBondContact O-N 3.36Å; E404-I407 PolarHBondContact O-N 2.86Å; K405-I407 VanDerWaalsContact C-N 3.35Å; K405-I407 PolarHBondContact O-N 3.42Å; I407-L409 VanDerWaalsContact C-N 3.33Å; I407-L409 PolarHBondContact O-N 3.32Å; I407-Y410 PolarHBondContact O-N 2.96Å; I407-K411 HydrophobicContact CG2-CD 4.38Å; I407-K411 WeakPolarHBondContact O-CG 3.35Å; I407-K411 PolarHBondContact O-N 3.38Å; I407-I537 HydrophobicContact CG2-CG1 4.25Å; I407-I537 HydrophobicContact CG2-CG2 4.07Å; I407-L541 HydrophobicContact CD1-CD2 3.67Å
408	K	89.9	Confident	91	Very high	110 Å²	110	39.4 Å²	39.4	48%	0.478	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-44.1	176.1	-77.6	175.3	-179.8	167	0	111.1	E404 K405 K411 V412	E404-K408 HydrophobicContact CG-CD 4.1Å; E404-K408 HydrophobicContact CG-CG 4.46Å; E404-K408 WeakPolarHBondContact O-CB 3.46Å; E404-K408 VanDerWaalsContact O-CG 3.3Å; E404-K408 WeakPolarHBondContact O-CG 3.47Å; E404-K408 PolarHBondContact O-N 2.9Å; E404-K408 WeakPolarHBondContact OE1-CE 3.36Å; E404-K408 IonicContact OE1-NZ 3.33Å; E404-K408 PolarHBondContact OE1-NZ 2.62Å; E404-K408 IonicContact OE2-NZ 3.85Å; K405-K408 PolarHBondContact O-N 3.08Å; K408-K411 PolarHBondContact O-N 2.85Å; K408-V412 WeakPolarHBondContact O-CG2 3.41Å; K408-V412 PolarHBondContact O-N 3.24Å
409	L	92.4	Very high	91.1	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-46.2	178.1	-179	54.7	0	0	0	111.7	A157 L160 E161 L214 K405 A406 I407 K411 V412 I413	A157-L409 HydrophobicContact CB-CD2 4.25Å; L160-L409 HydrophobicContact CB-CD2 4.3Å; L160-L409 HydrophobicContact CD2-CD2 4.05Å; E161-L409 HydrophobicContact CG-CD1 3.64Å; E161-L409 HydrophobicContact CG-CD2 4.32Å; L214-L409 HydrophobicContact CD1-CD2 3.97Å; K405-L409 WeakPolarHBondContact O-CB 3.3Å; K405-L409 PolarHBondContact O-N 3.17Å; A406-L409 PolarHBondContact O-N 3.36Å; I407-L409 VanDerWaalsContact C-N 3.33Å; I407-L409 PolarHBondContact O-N 3.32Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 3.32Å; L409-V412 PolarHBondContact O-N 2.83Å; L409-I413 HydrophobicContact CD1-CD1 4.03Å; L409-I413 HydrophobicContact CD1-CG1 4.29Å; L409-I413 HydrophobicContact CG-CD1 3.9Å; L409-I413 WeakPolarHBondContact O-CD1 3.27Å; L409-I413 VanDerWaalsContact O-CG1 3.26Å; L409-I413 WeakPolarHBondContact O-CG1 3.32Å; L409-I413 PolarHBondContact O-N 2.84Å
410	Y	94.3	Very high	91.1	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-55.5	-47.3	175.1	179.3	-96.4	0	0	0	112.1	V208 S211 K212 I215 A406 I407 I413 L414 Y531 I536 I537	V208-Y410 HydrophobicContact CG1-CE2 3.91Å; S211-Y410 VanDerWaalsContact OG-CD2 3.3Å; S211-Y410 WeakPolarHBondContact OG-CD2 3.34Å; K212-Y410 HydrophobicContact CD-CE2 4.3Å; K212-Y410 HydrophobicContact CG-CD2 4.13Å; K212-Y410 HydrophobicContact CG-CE2 3.66Å; I215-Y410 HydrophobicContact CD1-CD1 4.43Å; I215-Y410 HydrophobicContact CD1-CD2 4.1Å; I215-Y410 HydrophobicContact CD1-CG 3.82Å; A406-Y410 PolarHBondContact O-N 3.49Å; I407-Y410 PolarHBondContact O-N 2.96Å; Y410-I413 PolarHBondContact O-N 2.7Å; Y410-L414 HydrophobicContact CD1-CD1 4.06Å; Y410-L414 HydrophobicContact CD1-CG 4.45Å; Y410-L414 HydrophobicContact CE1-CD1 3.37Å; Y410-L414 HydrophobicContact CE1-CG 4.06Å; Y410-L414 PolarHBondContact O-N 3.37Å; Y410-L414 VanDerWaalsContact O-N 3.09Å; Y410-Y531 PolarHBondContact OH-O 2.92Å; Y410-I536 HydrophobicContact CE1-CD1 4.45Å; Y410-I536 HydrophobicContact CE2-CD1 4.05Å; Y410-I536 WeakPolarHBondContact OH-CD1 3.46Å; Y410-I537 HydrophobicContact CD1-CD1 4.28Å; Y410-I537 HydrophobicContact CD1-CG1 4.36Å; Y410-I537 HydrophobicContact CE1-CD1 4.42Å
411	K	90.5	Very high	91.2	Very high	92 Å²	92	40.5 Å²	40.5	40%	0.4	20%	0.196	S	C	.	.	H	α-helix	trans	-59.3	-49.8	176.8	-72.5	175.9	174.7	-178.9	0	112.1	I407 K408 L409 I413 L414 D415 I537	I407-K411 HydrophobicContact CG2-CD 4.38Å; I407-K411 WeakPolarHBondContact O-CG 3.35Å; I407-K411 PolarHBondContact O-N 3.38Å; K408-K411 PolarHBondContact O-N 2.85Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 3.32Å; K411-I413 PolarHBondContact O-N 3.04Å; K411-L414 PolarHBondContact O-N 3.35Å; K411-L414 VanDerWaalsContact O-N 3.1Å; K411-D415 VanDerWaalsContact O-CG 3.29Å; K411-D415 PolarHBondContact O-N 2.92Å; K411-I537 HydrophobicContact CD-CD1 4.25Å; K411-I537 VanDerWaalsContact CE-CD1 3.41Å; K411-I537 HydrophobicContact CG-CD1 3.78Å
412	V	90.6	Very high	91.1	Very high	74 Å²	74	36.5 Å²	36.5	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-59	-36.7	179.2	169.3	0	0	0	0	111.8	L164 K408 L409 S416	L164-V412 HydrophobicContact CD2-CG1 4Å; K408-V412 WeakPolarHBondContact O-CG2 3.41Å; K408-V412 PolarHBondContact O-N 3.24Å; L409-V412 PolarHBondContact O-N 2.83Å; V412-S416 VanDerWaalsContact O-CB 3.25Å; V412-S416 WeakPolarHBondContact O-CB 3.25Å; V412-S416 PolarHBondContact O-N 3.44Å; V412-S416 PolarHBondContact O-OG 2.91Å
413	I	92	Very high	90.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-46.3	176.1	-67.4	157.8	0	0	0	110.8	L160 L164 V207 V208 S211 L409 Y410 K411 S416 W417	L160-I413 HydrophobicContact CD2-CD1 4.08Å; L164-I413 HydrophobicContact CD1-CG1 4.47Å; L164-I413 HydrophobicContact CD2-CG1 3.81Å; V207-I413 HydrophobicContact CB-CG2 4.44Å; V207-I413 HydrophobicContact CG1-CB 4.45Å; V207-I413 HydrophobicContact CG1-CD1 3.56Å; V207-I413 HydrophobicContact CG1-CG1 3.7Å; V207-I413 HydrophobicContact CG1-CG2 3.83Å; V208-I413 HydrophobicContact CB-CG2 4.49Å; V208-I413 HydrophobicContact CG2-CG2 3.46Å; V208-I413 VanDerWaalsContact CG2-CG2 3.46Å; S211-I413 VanDerWaalsContact CB-CD1 3.45Å; L409-I413 HydrophobicContact CD1-CD1 4.03Å; L409-I413 HydrophobicContact CD1-CG1 4.29Å; L409-I413 HydrophobicContact CG-CD1 3.9Å; L409-I413 WeakPolarHBondContact O-CD1 3.27Å; L409-I413 VanDerWaalsContact O-CG1 3.26Å; L409-I413 WeakPolarHBondContact O-CG1 3.32Å; L409-I413 PolarHBondContact O-N 2.84Å; Y410-I413 PolarHBondContact O-N 2.7Å; K411-I413 PolarHBondContact O-N 3.04Å; I413-S416 PolarHBondContact O-N 2.84Å; I413-W417 WeakPolarHBondContact O-CB 3.45Å; I413-W417 PolarHBondContact O-N 3.09Å
414	L	91.5	Very high	90.7	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-46.2	177.6	-66.2	-172.2	0	0	0	111.5	V208 Y410 K411 S416 W417 N418 I528 E532	V208-L414 HydrophobicContact CG1-CD2 4.44Å; V208-L414 HydrophobicContact CG2-CD2 3.9Å; Y410-L414 HydrophobicContact CD1-CD1 4.06Å; Y410-L414 HydrophobicContact CD1-CG 4.45Å; Y410-L414 HydrophobicContact CE1-CD1 3.37Å; Y410-L414 HydrophobicContact CE1-CG 4.06Å; Y410-L414 PolarHBondContact O-N 3.37Å; Y410-L414 VanDerWaalsContact O-N 3.09Å; K411-L414 PolarHBondContact O-N 3.35Å; K411-L414 VanDerWaalsContact O-N 3.1Å; L414-S416 VanDerWaalsContact C-N 3.27Å; L414-S416 PolarHBondContact O-N 3.1Å; L414-W417 PolarHBondContact O-N 2.94Å; L414-W417 VanDerWaalsContact O-N 3.09Å; L414-N418 PolarHBondContact O-N 3.35Å; L414-N418 PolarHBondContact O-ND2 2.94Å; L414-I528 HydrophobicContact CD2-CG1 4.43Å; L414-E532 HydrophobicContact CD1-CG 4.22Å
415	D	89	Confident	90.7	Very high	105 Å²	105	33 Å²	33	56%	0.561	16%	0.162	S	C	*	.	H	α-helix	trans	-59	-42.2	176.8	-66	-21.7	0	0	0	111.1	K411 W417 N418 Y419	K411-D415 VanDerWaalsContact O-CG 3.29Å; K411-D415 PolarHBondContact O-N 2.92Å; D415-W417 VanDerWaalsContact C-N 3.34Å; D415-W417 PolarHBondContact O-N 3.09Å; D415-N418 PolarHBondContact O-N 2.88Å; D415-Y419 WeakPolarHBondContact O-CB 3.22Å; D415-Y419 PolarHBondContact O-N 3.28Å
416	S	89.9	Confident	90.4	Very high	25 Å²	25	36.1 Å²	36.1	18%	0.175	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-37.9	176.1	-62	0	0	0	0	112.2	V412 I413 L414 I420	V412-S416 VanDerWaalsContact O-CB 3.25Å; V412-S416 WeakPolarHBondContact O-CB 3.25Å; V412-S416 PolarHBondContact O-N 3.44Å; V412-S416 PolarHBondContact O-OG 2.91Å; I413-S416 PolarHBondContact O-N 2.84Å; L414-S416 VanDerWaalsContact C-N 3.27Å; L414-S416 PolarHBondContact O-N 3.1Å; S416-I420 VanDerWaalsContact O-CG1 3.27Å; S416-I420 WeakPolarHBondContact O-CG1 3.28Å; S416-I420 PolarHBondContact O-N 2.92Å
417	W	93.8	Very high	90.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.8	-42.8	177.8	-171.2	-2.8	0	0	0	111.1	F201 L204 N205 V208 I413 L414 D415 Y419 I420 I421 H524 T527 I528 Y531	F201-W417 HydrophobicContact CD2-CZ2 4.11Å; F201-W417 HydrophobicContact CE2-CZ2 4.22Å; L204-W417 HydrophobicContact CB-CD2 3.7Å; L204-W417 HydrophobicContact CB-CE3 3.88Å; L204-W417 HydrophobicContact CB-CG 4.06Å; L204-W417 HydrophobicContact CB-CH2 4.38Å; L204-W417 HydrophobicContact CB-CZ2 4.27Å; L204-W417 HydrophobicContact CB-CZ3 4.2Å; L204-W417 HydrophobicContact CD1-CB 4.21Å; L204-W417 VanDerWaalsContact CD1-CD1 3.43Å; L204-W417 HydrophobicContact CD1-CD2 4.15Å; L204-W417 HydrophobicContact CD1-CG 3.69Å; L204-W417 HydrophobicContact CD2-CB 4.42Å; L204-W417 HydrophobicContact CG-CD2 4.46Å; L204-W417 HydrophobicContact CG-CG 4.32Å; N205-W417 HydrophobicContact CB-CH2 4.15Å; V208-W417 HydrophobicContact CB-CZ3 4.32Å; V208-W417 HydrophobicContact CG2-CE3 3.63Å; V208-W417 HydrophobicContact CG2-CZ3 3.67Å; I413-W417 WeakPolarHBondContact O-CB 3.45Å; I413-W417 PolarHBondContact O-N 3.09Å; L414-W417 PolarHBondContact O-N 2.94Å; L414-W417 VanDerWaalsContact O-N 3.09Å; D415-W417 VanDerWaalsContact C-N 3.34Å; D415-W417 PolarHBondContact O-N 3.09Å; W417-Y419 VanDerWaalsContact C-N 3.3Å; W417-Y419 PolarHBondContact O-N 3.49Å; W417-I420 PolarHBondContact O-N 3.22Å; W417-I421 HydrophobicContact CG-CD1 4.48Å; W417-I421 WeakPolarHBondContact O-CG1 3.45Å; W417-I421 PolarHBondContact O-N 3.07Å; W417-H524 AromaticContact CE2-ND1 3.63Å; W417-H524 AromaticContact CZ2-ND1 3.75Å; W417-H524 AromaticContact NE1-CE1 3.99Å; W417-H524 AromaticContact NE1-CG 3.79Å; W417-H524 AromaticContact NE1-ND1 2.98Å; W417-H524 PolarHBondContact NE1-ND1 3Å; W417-T527 HydrophobicContact CH2-CG2 3.62Å; W417-T527 HydrophobicContact CZ2-CG2 4.32Å; W417-T527 HydrophobicContact CZ3-CG2 4.36Å; W417-I528 HydrophobicContact CB-CD1 3.66Å; W417-I528 HydrophobicContact CD2-CB 4.48Å; W417-I528 HydrophobicContact CD2-CD1 4.05Å; W417-I528 HydrophobicContact CE3-CD1 4.49Å; W417-I528 HydrophobicContact CG-CD1 3.68Å; W417-Y531 HydrophobicContact CH2-CD2 4.39Å; W417-Y531 HydrophobicContact CH2-CE2 4.03Å; W417-Y531 AromaticContact CZ3-CD2 3.79Å; W417-Y531 HydrophobicContact CZ3-CD2 3.79Å; W417-Y531 AromaticContact CZ3-CE2 3.64Å; W417-Y531 HydrophobicContact CZ3-CE2 3.64Å
418	N	90.1	Very high	90.1	Very high	48 Å²	48	36 Å²	36	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-54.9	-47	172.3	-85	-45.8	0	0	0	111.5	L414 D415 I420 I421 D422 I528 E532	L414-N418 PolarHBondContact O-N 3.35Å; L414-N418 PolarHBondContact O-ND2 2.94Å; D415-N418 PolarHBondContact O-N 2.88Å; N418-I420 VanDerWaalsContact C-N 3.34Å; N418-I420 PolarHBondContact O-N 3.05Å; N418-I421 PolarHBondContact O-N 3.11Å; N418-D422 PolarHBondContact O-N 3.15Å; N418-D422 VanDerWaalsContact O-N 3.1Å; N418-I528 HydrophobicContact CB-CD1 4.14Å; N418-I528 VanDerWaalsContact OD1-CD1 3.23Å; N418-I528 WeakPolarHBondContact OD1-CD1 3.48Å; N418-E532 PolarHBondContact ND2-OE1 3.33Å
419	Y	89.4	Confident	90	Very high	89 Å²	89	32.4 Å²	32.4	35%	0.349	16%	0.161	S	C	.	.	H	α-helix	trans	-57.1	-45	173.8	173.7	-100.3	0	0	0	112.8	H168 F171 R175 D415 W417 D422 E423	H168-Y419 AromaticContact CE1-CD1 3.99Å; H168-Y419 AromaticContact CE1-CE1 3.72Å; F171-Y419 HydrophobicContact CE1-CE1 4.09Å; R175-Y419 PolarHBondContact NH1-OH 3.34Å; D415-Y419 WeakPolarHBondContact O-CB 3.22Å; D415-Y419 PolarHBondContact O-N 3.28Å; W417-Y419 VanDerWaalsContact C-N 3.3Å; W417-Y419 PolarHBondContact O-N 3.49Å; Y419-D422 PolarHBondContact O-N 2.9Å; Y419-E423 HydrophobicContact CD2-CG 4.39Å; Y419-E423 HydrophobicContact CE1-CG 4.11Å; Y419-E423 HydrophobicContact CE2-CG 3.91Å; Y419-E423 WeakPolarHBondContact O-CG 3.34Å; Y419-E423 PolarHBondContact O-N 3.43Å
420	I	90.5	Very high	89.8	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-41.7	178.4	-74.6	168.3	0	0	0	111.2	F171 L204 S416 W417 N418 E423 Q424	F171-I420 HydrophobicContact CD1-CG1 4.19Å; F171-I420 HydrophobicContact CD2-CB 4.49Å; F171-I420 HydrophobicContact CD2-CG1 4.02Å; F171-I420 HydrophobicContact CD2-CG2 3.92Å; F171-I420 HydrophobicContact CE1-CG1 4.35Å; F171-I420 HydrophobicContact CE2-CB 4.32Å; F171-I420 HydrophobicContact CE2-CG1 4.2Å; F171-I420 HydrophobicContact CE2-CG2 3.77Å; F171-I420 HydrophobicContact CG-CD1 4.44Å; F171-I420 HydrophobicContact CG-CG1 4.04Å; F171-I420 HydrophobicContact CZ-CG1 4.38Å; F171-I420 HydrophobicContact CZ-CG2 4.47Å; L204-I420 HydrophobicContact CD1-CB 4.38Å; L204-I420 HydrophobicContact CD1-CD1 3.82Å; L204-I420 HydrophobicContact CD1-CG2 4.04Å; L204-I420 HydrophobicContact CD2-CD1 4.06Å; S416-I420 VanDerWaalsContact O-CG1 3.27Å; S416-I420 WeakPolarHBondContact O-CG1 3.28Å; S416-I420 PolarHBondContact O-N 2.92Å; W417-I420 PolarHBondContact O-N 3.22Å; N418-I420 VanDerWaalsContact C-N 3.34Å; N418-I420 PolarHBondContact O-N 3.05Å; I420-E423 PolarHBondContact O-N 3.31Å; I420-Q424 HydrophobicContact CG2-CG 4.07Å; I420-Q424 VanDerWaalsContact CG2-NE2 3.26Å; I420-Q424 WeakPolarHBondContact O-CB 3.47Å; I420-Q424 WeakPolarHBondContact O-CG 3.49Å; I420-Q424 PolarHBondContact O-N 3.27Å
421	I	91	Very high	89.5	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-50.9	177.7	-72.4	168.1	0	0	0	110.3	W417 N418 E423 Q424 L425 P468 H524 M525 I528	W417-I421 HydrophobicContact CG-CD1 4.48Å; W417-I421 WeakPolarHBondContact O-CG1 3.45Å; W417-I421 PolarHBondContact O-N 3.07Å; N418-I421 PolarHBondContact O-N 3.11Å; I421-E423 VanDerWaalsContact C-N 3.29Å; I421-E423 PolarHBondContact O-N 3.4Å; I421-Q424 PolarHBondContact O-N 3.47Å; I421-L425 HydrophobicContact CG2-CD1 3.77Å; I421-L425 HydrophobicContact CG2-CG 4.29Å; I421-L425 WeakPolarHBondContact O-CB 3.36Å; I421-L425 VanDerWaalsContact O-CG 3.25Å; I421-L425 WeakPolarHBondContact O-CG 3.41Å; I421-L425 PolarHBondContact O-N 3.03Å; I421-P468 HydrophobicContact CG2-CG 4.43Å; I421-H524 HydrophobicContact CD1-CB 3.92Å; I421-H524 HydrophobicContact CG1-CB 3.83Å; I421-M525 HydrophobicContact CG2-CG 3.85Å; I421-I528 HydrophobicContact CD1-CB 4.14Å; I421-I528 HydrophobicContact CD1-CD1 4.01Å; I421-I528 HydrophobicContact CD1-CG2 3.61Å
422	D	87.6	Confident	89.6	Confident	26 Å²	26	31.2 Å²	31.2	14%	0.139	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-43.5	-178.5	-77	-12.6	0	0	0	111.9	N418 Y419 K426 T469	N418-D422 PolarHBondContact O-N 3.15Å; N418-D422 VanDerWaalsContact O-N 3.1Å; Y419-D422 PolarHBondContact O-N 2.9Å; D422-K426 WeakPolarHBondContact O-CG 3.4Å; D422-K426 PolarHBondContact O-N 2.98Å; D422-T469 PolarHBondContact OD1-OG1 3.4Å; D422-T469 WeakPolarHBondContact OD2-CG2 3.44Å; D422-T469 PolarHBondContact OD2-OG1 3.07Å
423	E	87.5	Confident	89.5	Confident	27 Å²	27	29.2 Å²	29.2	13%	0.126	14%	0.144	C	C	.	.	H	α-helix	trans	-72	-37	179.1	-67.7	-69.5	108.6	0	0	112.4	F171 R175 Y419 I420 I421 L425 K426 I427	F171-E423 HydrophobicContact CE1-CB 4.06Å; F171-E423 HydrophobicContact CE1-CG 4.42Å; F171-E423 HydrophobicContact CZ-CB 3.52Å; F171-E423 HydrophobicContact CZ-CG 4.35Å; R175-E423 VanDerWaalsContact CD-OE2 3.28Å; R175-E423 WeakPolarHBondContact CD-OE2 3.34Å; R175-E423 IonicContact CZ-OE2 3.91Å; R175-E423 IonicContact NE-OE2 3.06Å; R175-E423 IonicContact NH1-OE2 2.66Å; R175-E423 PolarHBondContact NH1-OE2 3.22Å; Y419-E423 HydrophobicContact CD2-CG 4.39Å; Y419-E423 HydrophobicContact CE1-CG 4.11Å; Y419-E423 HydrophobicContact CE2-CG 3.91Å; Y419-E423 WeakPolarHBondContact O-CG 3.34Å; Y419-E423 PolarHBondContact O-N 3.43Å; I420-E423 PolarHBondContact O-N 3.31Å; I421-E423 VanDerWaalsContact C-N 3.29Å; I421-E423 PolarHBondContact O-N 3.4Å; E423-L425 VanDerWaalsContact C-N 3.35Å; E423-K426 WeakPolarHBondContact O-CB 3.2Å; E423-K426 PolarHBondContact O-N 3.28Å; E423-K426 IonicContact OE1-NZ 3.22Å; E423-K426 PolarHBondContact OE1-NZ 3.18Å; E423-I427 WeakPolarHBondContact O-CG1 3.33Å; E423-I427 PolarHBondContact O-N 3.21Å
424	Q	89.5	Confident	89.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-38.6	174.3	-76.4	176.6	-8.1	0	0	112.4	F171 W196 L197 Q200 I420 I421 K426 I427 C428	F171-Q424 HydrophobicContact CE2-CG 3.89Å; W196-Q424 HydrophobicContact CH2-CG 3.75Å; W196-Q424 HydrophobicContact CZ3-CG 3.7Å; L197-Q424 HydrophobicContact CD2-CB 3.93Å; L197-Q424 HydrophobicContact CD2-CG 3.85Å; Q200-Q424 VanDerWaalsContact CB-NE2 3.33Å; I420-Q424 HydrophobicContact CG2-CG 4.07Å; I420-Q424 VanDerWaalsContact CG2-NE2 3.26Å; I420-Q424 WeakPolarHBondContact O-CB 3.47Å; I420-Q424 WeakPolarHBondContact O-CG 3.49Å; I420-Q424 PolarHBondContact O-N 3.27Å; I421-Q424 PolarHBondContact O-N 3.47Å; Q424-K426 VanDerWaalsContact C-N 3.33Å; Q424-I427 PolarHBondContact O-N 3.39Å; Q424-C428 WeakPolarHBondContact O-CB 3.29Å; Q424-C428 PolarHBondContact O-N 3.48Å; Q424-C428 PolarHBondContact O-SG 3.18Å
425	L	88.8	Confident	89.4	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-40.7	175.4	-71.3	170.3	0	0	0	111.1	I421 E423 C428 L429 L464 P468 N521 M525	I421-L425 HydrophobicContact CG2-CD1 3.77Å; I421-L425 HydrophobicContact CG2-CG 4.29Å; I421-L425 WeakPolarHBondContact O-CB 3.36Å; I421-L425 VanDerWaalsContact O-CG 3.25Å; I421-L425 WeakPolarHBondContact O-CG 3.41Å; I421-L425 PolarHBondContact O-N 3.03Å; E423-L425 VanDerWaalsContact C-N 3.35Å; L425-C428 PolarHBondContact O-N 3.06Å; L425-L429 VanDerWaalsContact O-CB 3.26Å; L425-L429 WeakPolarHBondContact O-CB 3.47Å; L425-L429 PolarHBondContact O-N 3.36Å; L425-L464 HydrophobicContact CD2-CD2 3.67Å; L425-P468 HydrophobicContact CD1-CG 3.8Å; L425-N521 HydrophobicContact CD2-CB 3.94Å; L425-M525 HydrophobicContact CD1-SD 4.26Å
426	K	86	Confident	89.5	Confident	113 Å²	113	26.2 Å²	26.2	49%	0.491	13%	0.128	S	C	.	.	H	α-helix	trans	-61.1	-45	173.3	-68.2	170.8	-166.8	169.8	0	112	D422 E423 Q424 L429 Q430	D422-K426 WeakPolarHBondContact O-CG 3.4Å; D422-K426 PolarHBondContact O-N 2.98Å; E423-K426 WeakPolarHBondContact O-CB 3.2Å; E423-K426 PolarHBondContact O-N 3.28Å; E423-K426 IonicContact OE1-NZ 3.22Å; E423-K426 PolarHBondContact OE1-NZ 3.18Å; Q424-K426 VanDerWaalsContact C-N 3.33Å; K426-L429 PolarHBondContact O-N 2.91Å; K426-Q430 PolarHBondContact O-N 2.88Å
427	I	88.4	Confident	89.6	Confident	11 Å²	11	28.8 Å²	28.8	6%	0.056	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-45.9	176.8	-66.4	164.3	0	0	0	110.6	R175 F178 L193 W196 E423 Q424 L429 Q430 F431	R175-I427 HydrophobicContact CB-CD1 4.23Å; R175-I427 HydrophobicContact CG-CD1 4.02Å; F178-I427 HydrophobicContact CB-CG2 3.7Å; F178-I427 HydrophobicContact CG-CG2 4.08Å; L193-I427 HydrophobicContact CD1-CG2 3.89Å; W196-I427 HydrophobicContact CH2-CD1 3.51Å; W196-I427 HydrophobicContact CZ3-CD1 3.82Å; E423-I427 WeakPolarHBondContact O-CG1 3.33Å; E423-I427 PolarHBondContact O-N 3.21Å; Q424-I427 PolarHBondContact O-N 3.39Å; I427-L429 VanDerWaalsContact C-N 3.35Å; I427-L429 PolarHBondContact O-N 3.45Å; I427-Q430 PolarHBondContact O-N 3.47Å; I427-F431 WeakPolarHBondContact O-CB 3.37Å; I427-F431 PolarHBondContact O-N 3.17Å
428	C	90.1	Very high	89.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-42.2	178.5	-67.9	0	0	0	0	111.4	Q424 L425 Q430 F431 F432 L464 N521	Q424-C428 WeakPolarHBondContact O-CB 3.29Å; Q424-C428 PolarHBondContact O-N 3.48Å; Q424-C428 PolarHBondContact O-SG 3.18Å; L425-C428 PolarHBondContact O-N 3.06Å; C428-Q430 PolarHBondContact O-N 3.48Å; C428-F431 PolarHBondContact O-N 3.22Å; C428-F432 HydrophobicContact CB-CD2 4.49Å; C428-F432 WeakPolarHBondContact O-CD2 3.39Å; C428-F432 PolarHBondContact O-N 3.44Å; C428-L464 HydrophobicContact CB-CD1 4.14Å; C428-L464 HydrophobicContact CB-CD2 4.02Å; C428-N521 PolarHBondContact SG-ND2 3Å
429	L	88	Confident	89.5	Confident	34 Å²	34	30.6 Å²	30.6	18%	0.178	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-45.1	176.3	177.7	64.5	0	0	0	111.5	L425 K426 I427 F432 T433 L464 F479	L425-L429 VanDerWaalsContact O-CB 3.26Å; L425-L429 WeakPolarHBondContact O-CB 3.47Å; L425-L429 PolarHBondContact O-N 3.36Å; K426-L429 PolarHBondContact O-N 2.91Å; I427-L429 VanDerWaalsContact C-N 3.35Å; I427-L429 PolarHBondContact O-N 3.45Å; L429-F432 PolarHBondContact O-N 2.87Å; L429-T433 VanDerWaalsContact O-CB 3.32Å; L429-T433 WeakPolarHBondContact O-CB 3.18Å; L429-T433 PolarHBondContact O-N 3.1Å; L429-T433 PolarHBondContact O-OG1 2.79Å; L429-L464 HydrophobicContact CD1-CB 4.28Å; L429-F479 HydrophobicContact CD1-CB 4.18Å; L429-F479 HydrophobicContact CD1-CD1 3.69Å; L429-F479 HydrophobicContact CD1-CD2 3.77Å; L429-F479 HydrophobicContact CD1-CE1 3.89Å; L429-F479 HydrophobicContact CD1-CE2 3.98Å; L429-F479 HydrophobicContact CD1-CG 3.61Å; L429-F479 HydrophobicContact CD1-CZ 4.03Å
430	Q	86.7	Confident	89.6	Confident	78 Å²	78	28.9 Å²	28.9	36%	0.364	14%	0.136	S	C	.	.	H	α-helix	trans	-62.1	-48.2	175.5	-175.5	-179.2	1.6	0	0	111.4	A179 K426 I427 C428 F432 T433 I434	A179-Q430 PolarHBondContact O-NE2 2.94Å; K426-Q430 PolarHBondContact O-N 2.88Å; I427-Q430 PolarHBondContact O-N 3.47Å; C428-Q430 PolarHBondContact O-N 3.48Å; Q430-F432 PolarHBondContact O-N 2.92Å; Q430-T433 WeakPolarHBondContact O-CB 3.15Å; Q430-T433 PolarHBondContact O-N 3.41Å; Q430-I434 HydrophobicContact CG-CD1 4.04Å; Q430-I434 WeakPolarHBondContact O-CG1 3.43Å; Q430-I434 PolarHBondContact O-N 3.36Å; Q430-I434 VanDerWaalsContact O-N 3.07Å
431	F	89.8	Confident	89.6	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-50.5	177.3	170	-98.5	0	0	0	111.6	H183 L193 I427 C428 I434 L435 F514 L517	H183-F431 AromaticContact CE1-CD2 3.66Å; H183-F431 AromaticContact ND1-CD2 3.74Å; H183-F431 AromaticContact NE2-CD2 3.86Å; L193-F431 HydrophobicContact CD2-CB 4.11Å; L193-F431 HydrophobicContact CD2-CD1 4.11Å; L193-F431 HydrophobicContact CD2-CD2 4.46Å; L193-F431 HydrophobicContact CD2-CG 3.94Å; I427-F431 WeakPolarHBondContact O-CB 3.37Å; I427-F431 PolarHBondContact O-N 3.17Å; C428-F431 PolarHBondContact O-N 3.22Å; F431-I434 PolarHBondContact O-N 3.2Å; F431-L435 HydrophobicContact CE1-CD2 4.11Å; F431-L435 HydrophobicContact CZ-CD2 4.3Å; F431-L435 WeakPolarHBondContact O-CB 3.49Å; F431-L435 PolarHBondContact O-N 2.91Å; F431-F514 HydrophobicContact CE1-CD1 4.39Å; F431-F514 HydrophobicContact CZ-CE1 4.25Å; F431-L517 HydrophobicContact CD1-CD1 4.03Å; F431-L517 HydrophobicContact CE1-CD1 3.72Å
432	F	91.6	Very high	89.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.7	-33.1	-179.8	-76.2	-62.9	0	0	0	112.8	C428 L429 Q430 L435 L436 F456 L460 L464 F479 F514 L517 L518	C428-F432 HydrophobicContact CB-CD2 4.49Å; C428-F432 WeakPolarHBondContact O-CD2 3.39Å; C428-F432 PolarHBondContact O-N 3.44Å; L429-F432 PolarHBondContact O-N 2.87Å; Q430-F432 PolarHBondContact O-N 2.92Å; F432-L435 HydrophobicContact CD1-CD2 3.94Å; F432-L435 HydrophobicContact CE1-CD2 4.21Å; F432-L435 PolarHBondContact O-N 3.44Å; F432-L436 WeakPolarHBondContact O-CB 3.5Å; F432-L436 WeakPolarHBondContact O-CG 3.28Å; F432-L436 PolarHBondContact O-N 2.85Å; F432-F456 HydrophobicContact CD1-CE2 4.34Å; F432-F456 AromaticContact CD1-CZ 3.88Å; F432-F456 HydrophobicContact CD1-CZ 3.88Å; F432-F456 AromaticContact CE1-CE2 3.6Å; F432-F456 HydrophobicContact CE1-CE2 3.6Å; F432-F456 AromaticContact CE1-CZ 3.49Å; F432-F456 HydrophobicContact CE1-CZ 3.49Å; F432-F456 VanDerWaalsContact CE1-CZ 3.49Å; F432-F456 AromaticContact CZ-CE2 3.99Å; F432-F456 HydrophobicContact CZ-CE2 3.99Å; F432-F456 HydrophobicContact CZ-CZ 4.33Å; F432-L460 HydrophobicContact CB-CD1 4.2Å; F432-L460 HydrophobicContact CB-CD2 4.4Å; F432-L460 HydrophobicContact CD1-CD1 4.1Å; F432-L460 HydrophobicContact CD1-CD2 4.36Å; F432-L460 HydrophobicContact CD2-CD1 3.72Å; F432-L460 HydrophobicContact CE1-CD1 4.41Å; F432-L460 HydrophobicContact CE2-CD1 4.04Å; F432-L460 HydrophobicContact CG-CD1 3.74Å; F432-L460 HydrophobicContact CG-CD2 4.42Å; F432-L460 HydrophobicContact CZ-CD1 4.36Å; F432-L464 HydrophobicContact CD2-CD1 3.36Å; F432-L464 HydrophobicContact CE2-CD1 3.91Å; F432-L464 HydrophobicContact CG-CD1 4.31Å; F432-F479 HydrophobicContact CB-CE2 3.78Å; F432-F479 HydrophobicContact CB-CZ 3.77Å; F432-F514 HydrophobicContact CE1-CB 4.08Å; F432-F514 HydrophobicContact CE1-CG 4.46Å; F432-F514 HydrophobicContact CZ-CB 4.45Å; F432-L517 HydrophobicContact CE1-CD1 4.44Å; F432-L517 HydrophobicContact CE2-CB 4.23Å; F432-L517 HydrophobicContact CE2-CD1 4.22Å; F432-L517 HydrophobicContact CZ-CB 4.03Å; F432-L517 HydrophobicContact CZ-CD1 3.74Å; F432-L517 HydrophobicContact CZ-CG 4.48Å; F432-L518 HydrophobicContact CD2-CD2 4.39Å; F432-L518 HydrophobicContact CE2-CD2 3.62Å; F432-L518 HydrophobicContact CE2-CG 4.42Å; F432-L518 HydrophobicContact CZ-CD2 4.07Å; F432-L518 HydrophobicContact CZ-CG 4.4Å
433	T	88.7	Confident	89.5	Confident	31 Å²	31	40.8 Å²	40.8	19%	0.19	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-49.5	174.5	-62.5	0	0	0	0	110.3	L429 Q430 L436 Q437 F479 L482	L429-T433 VanDerWaalsContact O-CB 3.32Å; L429-T433 WeakPolarHBondContact O-CB 3.18Å; L429-T433 PolarHBondContact O-N 3.1Å; L429-T433 PolarHBondContact O-OG1 2.79Å; Q430-T433 WeakPolarHBondContact O-CB 3.15Å; Q430-T433 PolarHBondContact O-N 3.41Å; T433-L436 PolarHBondContact O-N 3.42Å; T433-Q437 VanDerWaalsContact O-CG 3.3Å; T433-Q437 WeakPolarHBondContact O-CG 3.38Å; T433-Q437 PolarHBondContact O-N 3.11Å; T433-F479 WeakPolarHBondContact OG1-CD2 3.32Å; T433-L482 HydrophobicContact CG2-CD1 3.66Å
434	I	88.6	Confident	89.5	Confident	50 Å²	50	39.6 Å²	39.6	26%	0.256	19%	0.191	S	C	.	.	H	α-helix	trans	-65.8	-40.5	178.7	-65.3	166.1	0	0	0	110.8	H183 Q430 F431 Q437 R438	H183-I434 HydrophobicContact CB-CG2 4.07Å; Q430-I434 HydrophobicContact CG-CD1 4.04Å; Q430-I434 WeakPolarHBondContact O-CG1 3.43Å; Q430-I434 PolarHBondContact O-N 3.36Å; Q430-I434 VanDerWaalsContact O-N 3.07Å; F431-I434 PolarHBondContact O-N 3.2Å; I434-Q437 PolarHBondContact O-N 2.9Å; I434-R438 WeakPolarHBondContact O-CB 3.23Å; I434-R438 PolarHBondContact O-N 3.33Å
435	L	91.7	Very high	89.5	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-46.6	177.3	-174.3	67.6	0	0	0	112.2	Y186 F431 F432 R438 F439 F514	Y186-L435 HydrophobicContact CD1-CD1 4.2Å; Y186-L435 HydrophobicContact CD2-CD1 3.93Å; Y186-L435 HydrophobicContact CG-CD1 3.64Å; F431-L435 HydrophobicContact CE1-CD2 4.11Å; F431-L435 HydrophobicContact CZ-CD2 4.3Å; F431-L435 WeakPolarHBondContact O-CB 3.49Å; F431-L435 PolarHBondContact O-N 2.91Å; F432-L435 HydrophobicContact CD1-CD2 3.94Å; F432-L435 HydrophobicContact CE1-CD2 4.21Å; F432-L435 PolarHBondContact O-N 3.44Å; L435-R438 PolarHBondContact O-N 2.95Å; L435-F439 HydrophobicContact CD1-CD1 4.48Å; L435-F439 HydrophobicContact CD1-CE1 3.66Å; L435-F439 HydrophobicContact CD1-CE2 4.28Å; L435-F439 HydrophobicContact CD1-CZ 3.54Å; L435-F439 HydrophobicContact CD2-CE2 4.02Å; L435-F439 HydrophobicContact CD2-CZ 3.9Å; L435-F439 HydrophobicContact CG-CD2 4.42Å; L435-F439 HydrophobicContact CG-CE1 4.03Å; L435-F439 HydrophobicContact CG-CE2 3.77Å; L435-F439 HydrophobicContact CG-CZ 3.55Å; L435-F439 WeakPolarHBondContact O-CD1 3.3Å; L435-F439 WeakPolarHBondContact O-CG 3.49Å; L435-F439 PolarHBondContact O-N 3.26Å; L435-F514 HydrophobicContact CD1-CZ 4.21Å; L435-F514 HydrophobicContact CD2-CD1 4.15Å; L435-F514 HydrophobicContact CD2-CD2 4.27Å; L435-F514 HydrophobicContact CD2-CE1 3.88Å; L435-F514 HydrophobicContact CD2-CE2 4.01Å; L435-F514 HydrophobicContact CD2-CG 4.34Å; L435-F514 HydrophobicContact CD2-CZ 3.8Å
436	L	92.9	Very high	89.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-42.6	-180	-67.6	173.6	0	0	0	111.4	F432 T433 R438 F439 I440 L457 L460 F479 L482 I483 T486	F432-L436 WeakPolarHBondContact O-CB 3.5Å; F432-L436 WeakPolarHBondContact O-CG 3.28Å; F432-L436 PolarHBondContact O-N 2.85Å; T433-L436 PolarHBondContact O-N 3.42Å; L436-R438 VanDerWaalsContact C-N 3.27Å; L436-R438 PolarHBondContact O-N 3.06Å; L436-F439 HydrophobicContact CD2-CD2 4.43Å; L436-F439 WeakPolarHBondContact O-CB 3.39Å; L436-F439 PolarHBondContact O-N 3.44Å; L436-F439 VanDerWaalsContact O-N 3.15Å; L436-I440 WeakPolarHBondContact O-CD1 3.4Å; L436-I440 VanDerWaalsContact O-CG1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.41Å; L436-I440 PolarHBondContact O-N 2.96Å; L436-L457 HydrophobicContact CD2-CD2 4.13Å; L436-L460 HydrophobicContact CD1-CD2 3.95Å; L436-L460 HydrophobicContact CD2-CD2 4.3Å; L436-L460 HydrophobicContact CG-CD2 4.44Å; L436-F479 HydrophobicContact CD1-CD2 4.2Å; L436-F479 HydrophobicContact CD1-CE2 3.67Å; L436-F479 HydrophobicContact CD1-CZ 4.2Å; L436-L482 HydrophobicContact CB-CB 4.11Å; L436-L482 HydrophobicContact CD1-CB 4Å; L436-I483 HydrophobicContact CD1-CG1 3.6Å; L436-T486 HydrophobicContact CD2-CG2 3.89Å; L436-T486 WeakPolarHBondContact CD2-OG1 3.35Å
437	Q	91.4	Very high	89.9	Confident	78 Å²	78	35.7 Å²	35.7	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-54.5	-46.5	173.6	-76	170.8	-14.3	0	0	110.9	T433 I434 F439 I440 E441 L482	T433-Q437 VanDerWaalsContact O-CG 3.3Å; T433-Q437 WeakPolarHBondContact O-CG 3.38Å; T433-Q437 PolarHBondContact O-N 3.11Å; I434-Q437 PolarHBondContact O-N 2.9Å; Q437-F439 PolarHBondContact O-N 3.35Å; Q437-I440 WeakPolarHBondContact O-CB 3.22Å; Q437-I440 PolarHBondContact O-N 2.98Å; Q437-I440 VanDerWaalsContact O-N 3.14Å; Q437-E441 WeakPolarHBondContact O-CG 3.34Å; Q437-E441 PolarHBondContact O-N 3.15Å; Q437-L482 HydrophobicContact CG-CD1 4.07Å; Q437-L482 HydrophobicContact CG-CD2 3.8Å
438	R	89.4	Confident	89.9	Confident	86 Å²	86	39.8 Å²	39.8	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-65.1	-36.9	177.9	-172.2	171.2	-174.7	169.5	-0.3	113.8	H183 E184 I434 L435 L436 I440 E441 S442 I504	H183-R438 PolarHBondContact O-NH1 2.83Å; H183-R438 VanDerWaalsContact O-NH1 3.12Å; E184-R438 VanDerWaalsContact CA-NH1 3.31Å; E184-R438 PolarHBondContact O-NH1 3.44Å; E184-R438 PolarHBondContact O-NH2 3.49Å; E184-R438 VanDerWaalsContact O-NH2 3.15Å; I434-R438 WeakPolarHBondContact O-CB 3.23Å; I434-R438 PolarHBondContact O-N 3.33Å; L435-R438 PolarHBondContact O-N 2.95Å; L436-R438 VanDerWaalsContact C-N 3.27Å; L436-R438 PolarHBondContact O-N 3.06Å; R438-I440 VanDerWaalsContact C-N 3.29Å; R438-E441 PolarHBondContact O-N 3.4Å; R438-S442 PolarHBondContact O-N 3.36Å; R438-I504 HydrophobicContact CG-CD1 4.18Å
439	F	92.4	Very high	90	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-38.8	174.1	-70.2	-10.6	0	0	0	111.6	L435 L436 Q437 S442 L445 F453 T486 H489 I504 L506 F514	L435-F439 HydrophobicContact CD1-CD1 4.48Å; L435-F439 HydrophobicContact CD1-CE1 3.66Å; L435-F439 HydrophobicContact CD1-CE2 4.28Å; L435-F439 HydrophobicContact CD1-CZ 3.54Å; L435-F439 HydrophobicContact CD2-CE2 4.02Å; L435-F439 HydrophobicContact CD2-CZ 3.9Å; L435-F439 HydrophobicContact CG-CD2 4.42Å; L435-F439 HydrophobicContact CG-CE1 4.03Å; L435-F439 HydrophobicContact CG-CE2 3.77Å; L435-F439 HydrophobicContact CG-CZ 3.55Å; L435-F439 WeakPolarHBondContact O-CD1 3.3Å; L435-F439 WeakPolarHBondContact O-CG 3.49Å; L435-F439 PolarHBondContact O-N 3.26Å; L436-F439 HydrophobicContact CD2-CD2 4.43Å; L436-F439 WeakPolarHBondContact O-CB 3.39Å; L436-F439 PolarHBondContact O-N 3.44Å; L436-F439 VanDerWaalsContact O-N 3.15Å; Q437-F439 PolarHBondContact O-N 3.35Å; F439-S442 PolarHBondContact O-OG 2.94Å; F439-L445 HydrophobicContact CB-CD2 4.03Å; F439-L445 HydrophobicContact CD1-CD1 4.14Å; F439-L445 HydrophobicContact CD2-CD2 4.08Å; F439-L445 HydrophobicContact CG-CD1 4.22Å; F439-L445 HydrophobicContact CG-CD2 4.08Å; F439-F453 HydrophobicContact CD2-CZ 4.43Å; F439-F453 HydrophobicContact CE2-CE2 4.23Å; F439-F453 HydrophobicContact CE2-CZ 4.4Å; F439-T486 HydrophobicContact CB-CG2 4.05Å; F439-T486 HydrophobicContact CD2-CG2 4Å; F439-H489 PolarHBondContact O-CD2 3.48Å; F439-I504 HydrophobicContact CD1-CD1 3.96Å; F439-I504 HydrophobicContact CD1-CG2 4.38Å; F439-I504 HydrophobicContact CE1-CD1 4.5Å; F439-I504 HydrophobicContact CE1-CG2 4.22Å; F439-L506 HydrophobicContact CE1-CD1 4.43Å; F439-L506 HydrophobicContact CE1-CD2 3.91Å; F439-L506 HydrophobicContact CE2-CD1 3.97Å; F439-L506 HydrophobicContact CZ-CD1 3.77Å; F439-L506 HydrophobicContact CZ-CD2 3.77Å; F439-L506 HydrophobicContact CZ-CG 4.35Å; F439-F514 HydrophobicContact CZ-CE2 4.07Å; F439-F514 HydrophobicContact CZ-CZ 4.46Å
440	I	91.8	Very high	90.2	Very high	53 Å²	53	41.6 Å²	41.6	27%	0.272	21%	0.209	S	C	.	.	H	α-helix	trans	-70.3	-38.2	177.5	-64.7	160.4	0	0	0	111.5	L436 Q437 R438 S442 L482 A485	L436-I440 WeakPolarHBondContact O-CD1 3.4Å; L436-I440 VanDerWaalsContact O-CG1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.41Å; L436-I440 PolarHBondContact O-N 2.96Å; Q437-I440 WeakPolarHBondContact O-CB 3.22Å; Q437-I440 PolarHBondContact O-N 2.98Å; Q437-I440 VanDerWaalsContact O-N 3.14Å; R438-I440 VanDerWaalsContact C-N 3.29Å; I440-S442 VanDerWaalsContact C-N 3.27Å; I440-S442 PolarHBondContact O-N 3.05Å; I440-L482 HydrophobicContact CD1-CD2 3.76Å; I440-A485 HydrophobicContact CD1-CB 3.66Å; I440-A485 HydrophobicContact CG1-CB 4.19Å
441	E	89.8	Confident	90.5	Very high	156 Å²	156	43.1 Å²	43.1	73%	0.729	22%	0.216	S	C	*	.	H	α-helix	trans	-72.9	-15.6	179.6	-72.9	171.1	-175.3	0	0	113.8	Q437 R438	Q437-E441 WeakPolarHBondContact O-CG 3.34Å; Q437-E441 PolarHBondContact O-N 3.15Å; R438-E441 PolarHBondContact O-N 3.4Å
442	S	89.8	Confident	90.7	Very high	15 Å²	15	43.5 Å²	43.5	11%	0.105	22%	0.219	C	C	.	.	S	Bend	trans	-74.1	154.4	179.1	74.7	0	0	0	0	112.9	R438 F439 I440 G444 H489	R438-S442 PolarHBondContact O-N 3.36Å; F439-S442 PolarHBondContact O-OG 2.94Å; I440-S442 VanDerWaalsContact C-N 3.27Å; I440-S442 PolarHBondContact O-N 3.05Å; S442-G444 PolarHBondContact O-N 3.04Å; S442-G444 PolarHBondContact OG-O 2.93Å; S442-H489 PolarHBondContact O-CE1 2.84Å; S442-H489 PolarHBondContact O-NE2 2.89Å
443	D	86.9	Confident	90.9	Very high	110 Å²	110	43.5 Å²	43.5	59%	0.588	22%	0.219	S	C	*	.	S	Bend	trans	-69	-14.3	178.8	-66.6	-46	0	0	0	113
444	G	87.4	Confident	91.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.01	23%	0.23	C	C	.	.			trans	-178.7	153.5	172.4	0	0	0	0	0	113.1	S442 H489 S503 I504	S442-G444 PolarHBondContact O-N 3.04Å; S442-G444 PolarHBondContact OG-O 2.93Å; G444-H489 WeakPolarHBondContact CA-NE2 3.12Å; G444-S503 CarbonylContact O-C 3.45Å; G444-S503 VanDerWaalsContact O-CA 3.22Å; G444-S503 WeakPolarHBondContact O-CA 3.32Å; G444-S503 WeakPolarHBondContact O-CB 3.46Å; G444-I504 PolarHBondContact O-N 3.43Å
445	L	90.1	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.9	178.1	-172.4	64.4	0	0	0	110.2	F439 F453 T486 W490 T493 I504 L506	F439-L445 HydrophobicContact CB-CD2 4.03Å; F439-L445 HydrophobicContact CD1-CD1 4.14Å; F439-L445 HydrophobicContact CD2-CD2 4.08Å; F439-L445 HydrophobicContact CG-CD1 4.22Å; F439-L445 HydrophobicContact CG-CD2 4.08Å; L445-F453 HydrophobicContact CD2-CE1 3.83Å; L445-F453 HydrophobicContact CD2-CZ 3.67Å; L445-T486 HydrophobicContact CD2-CG2 4.14Å; L445-W490 HydrophobicContact CD2-CB 4.11Å; L445-W490 HydrophobicContact CD2-CG 4.5Å; L445-T493 PolarHBondContact N-OG1 3.19Å; L445-T493 PolarHBondContact O-OG1 3.37Å; L445-I504 WeakPolarHBondContact CA-O 3.23Å; L445-I504 HydrophobicContact CD1-CB 3.9Å; L445-I504 HydrophobicContact CD1-CG2 3.76Å; L445-L506 HydrophobicContact CD1-CD1 3.99Å; L445-L506 HydrophobicContact CD1-CG 3.95Å
446	T	90.3	Very high	91.5	Very high	25 Å²	25	50 Å²	50	15%	0.153	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.8	175.8	61.2	0	0	0	0	110.5	I504 H505 L506	T446-I504 PolarHBondContact N-O 3.43Å; T446-H505 CarbonylContact O-C 3.57Å; T446-H505 WeakPolarHBondContact O-CA 3.46Å; T446-H505 PolarHBondContact OG1-ND1 2.64Å; T446-L506 PolarHBondContact O-N 3.23Å
447	T	91.3	Very high	91.5	Very high	15 Å²	15	50 Å²	50	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153	-177.1	86	0	0	0	0	112.4	D449 D450 F453 L506	T447-D449 VanDerWaalsContact C-N 3.33Å; T447-D449 VanDerWaalsContact OG1-C 3.25Å; T447-D449 PolarHBondContact OG1-N 3.31Å; T447-D449 PolarHBondContact OG1-O 3.35Å; T447-D450 VanDerWaalsContact OG1-CA 3.29Å; T447-D450 WeakPolarHBondContact OG1-CA 3.35Å; T447-D450 PolarHBondContact OG1-N 3.05Å; T447-D450 PolarHBondContact OG1-OD1 3.09Å; T447-F453 HydrophobicContact CG2-CB 3.94Å; T447-F453 HydrophobicContact CG2-CD1 3.88Å; T447-F453 HydrophobicContact CG2-CD2 4.45Å; T447-F453 HydrophobicContact CG2-CG 3.84Å; T447-L506 WeakPolarHBondContact CA-O 3.48Å; T447-L506 HydrophobicContact CG2-CB 4.13Å; T447-L506 HydrophobicContact CG2-CD1 4.33Å
448	D	90.1	Very high	91.5	Very high	97 Å²	97	49.3 Å²	49.3	52%	0.519	24%	0.238	S	C	.	.	S	Bend	trans	-69.8	-29.7	171.3	-78.8	-25.1	0	0	0	112.8	H505 L506 R507 R508	D448-H505 IonicContact OD1-CE1 3.88Å; D448-H505 IonicContact OD1-NE2 2.67Å; D448-H505 PolarHBondContact OD1-NE2 3.07Å; D448-H505 VanDerWaalsContact OD1-NE2 3.11Å; D448-L506 PolarHBondContact N-O 3.42Å; D448-R507 VanDerWaalsContact OD2-CA 3.23Å; D448-R507 WeakPolarHBondContact OD2-CA 3.38Å; D448-R508 HydrophobicContact CB-CB 4.32Å; D448-R508 PolarHBondContact OD2-N 2.71Å
449	D	91.4	Very high	91.6	Very high	31 Å²	31	47.1 Å²	47.1	17%	0.166	23%	0.233	C	C	.	.			trans	-141.4	90.9	-176.1	-174.3	-16.9	0	0	0	109.7	T447 E451 A452 F453 R508	T447-D449 VanDerWaalsContact C-N 3.33Å; T447-D449 VanDerWaalsContact OG1-C 3.25Å; T447-D449 PolarHBondContact OG1-N 3.31Å; T447-D449 PolarHBondContact OG1-O 3.35Å; D449-E451 VanDerWaalsContact C-N 3.26Å; D449-E451 PolarHBondContact O-N 3.02Å; D449-E451 PolarHBondContact OD1-N 3.45Å; D449-A452 HydrophobicContact CB-CB 3.89Å; D449-A452 VanDerWaalsContact CG-CB 3.4Å; D449-A452 PolarHBondContact O-N 2.94Å; D449-A452 PolarHBondContact OD1-N 3.2Å; D449-F453 PolarHBondContact O-N 3.32Å; D449-R508 HydrophobicContact CB-CG 4.46Å; D449-R508 IonicContact OD2-CZ 3.92Å; D449-R508 IonicContact OD2-NH1 3.87Å; D449-R508 PolarHBondContact OD2-NH1 3.33Å; D449-R508 IonicContact OD2-NH2 3.1Å; D449-R508 PolarHBondContact OD2-NH2 2.94Å
450	D	91.9	Very high	91.4	Very high	42 Å²	42	47.1 Å²	47.1	23%	0.225	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-30.7	-176.4	-68.5	-43.1	0	0	0	113.4	T447 K454 W490 K494	T447-D450 VanDerWaalsContact OG1-CA 3.29Å; T447-D450 WeakPolarHBondContact OG1-CA 3.35Å; T447-D450 PolarHBondContact OG1-N 3.05Å; T447-D450 PolarHBondContact OG1-OD1 3.09Å; D450-K454 VanDerWaalsContact O-CB 3.27Å; D450-K454 WeakPolarHBondContact O-CB 3.29Å; D450-K454 PolarHBondContact O-N 3.23Å; D450-W490 HydrophobicContact CB-CH2 4.16Å; D450-W490 HydrophobicContact CB-CZ2 3.57Å; D450-W490 WeakPolarHBondContact O-CH2 3.4Å; D450-W490 WeakPolarHBondContact OD1-CZ2 3.43Å; D450-K494 HydrophobicContact CB-CD 4.36Å; D450-K494 VanDerWaalsContact CG-CE 3.45Å; D450-K494 IonicContact OD1-NZ 3.86Å; D450-K494 WeakPolarHBondContact OD2-CD 3.44Å; D450-K494 WeakPolarHBondContact OD2-CE 3.17Å; D450-K494 IonicContact OD2-NZ 2.72Å; D450-K494 PolarHBondContact OD2-NZ 3.22Å
451	E	93.4	Very high	91.1	Very high	110 Å²	110	46.3 Å²	46.3	51%	0.514	23%	0.231	S	C	.	.	H	α-helix	trans	-74.2	-38.2	178.4	-171.4	57.5	-149.3	0	0	110.5	D449 K454 R455	D449-E451 VanDerWaalsContact C-N 3.26Å; D449-E451 PolarHBondContact O-N 3.02Å; D449-E451 PolarHBondContact OD1-N 3.45Å; E451-K454 PolarHBondContact O-N 3.42Å; E451-R455 WeakPolarHBondContact O-CB 3.4Å; E451-R455 PolarHBondContact O-N 3.43Å
452	A	93.7	Very high	90.6	Very high	9 Å²	9	46.9 Å²	46.9	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-42.9	171.8	0	0	0	0	0	111.7	D449 R455 F456 I511	D449-A452 HydrophobicContact CB-CB 3.89Å; D449-A452 VanDerWaalsContact CG-CB 3.4Å; D449-A452 PolarHBondContact O-N 2.94Å; D449-A452 PolarHBondContact OD1-N 3.2Å; A452-R455 PolarHBondContact O-N 2.76Å; A452-F456 WeakPolarHBondContact O-CB 3.49Å; A452-F456 PolarHBondContact O-N 3.08Å; A452-I511 HydrophobicContact CB-CG2 3.97Å
453	F	95.2	Very high	90.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-43.4	177.8	-173.8	-118.4	0	0	0	112.2	F439 L445 T447 D449 R455 F456 L457 T486 W490 L506 I511	F439-F453 HydrophobicContact CD2-CZ 4.43Å; F439-F453 HydrophobicContact CE2-CE2 4.23Å; F439-F453 HydrophobicContact CE2-CZ 4.4Å; L445-F453 HydrophobicContact CD2-CE1 3.83Å; L445-F453 HydrophobicContact CD2-CZ 3.67Å; T447-F453 HydrophobicContact CG2-CB 3.94Å; T447-F453 HydrophobicContact CG2-CD1 3.88Å; T447-F453 HydrophobicContact CG2-CD2 4.45Å; T447-F453 HydrophobicContact CG2-CG 3.84Å; D449-F453 PolarHBondContact O-N 3.32Å; F453-R455 VanDerWaalsContact C-N 3.33Å; F453-R455 PolarHBondContact O-N 2.71Å; F453-F456 AromaticContact CD2-CD1 3.86Å; F453-F456 HydrophobicContact CD2-CD1 3.86Å; F453-F456 AromaticContact CE2-CD1 3.83Å; F453-F456 HydrophobicContact CE2-CD1 3.83Å; F453-F456 HydrophobicContact CE2-CE1 4.09Å; F453-F456 WeakPolarHBondContact O-CB 3.48Å; F453-F456 PolarHBondContact O-N 3.32Å; F453-L457 HydrophobicContact CD1-CD1 4.13Å; F453-L457 HydrophobicContact CE1-CD1 3.63Å; F453-L457 HydrophobicContact CE1-CG 4.13Å; F453-L457 HydrophobicContact CE2-CD2 4.29Å; F453-L457 HydrophobicContact CE2-CG 4.31Å; F453-L457 HydrophobicContact CZ-CD1 3.93Å; F453-L457 HydrophobicContact CZ-CD2 4.01Å; F453-L457 HydrophobicContact CZ-CG 4.02Å; F453-L457 PolarHBondContact O-N 3.32Å; F453-T486 HydrophobicContact CZ-CG2 4.27Å; F453-W490 AromaticContact CD1-CD2 3.74Å; F453-W490 HydrophobicContact CD1-CD2 3.74Å; F453-W490 AromaticContact CD1-CE2 3.66Å; F453-W490 HydrophobicContact CD1-CE3 4.21Å; F453-W490 HydrophobicContact CD1-CG 4.03Å; F453-W490 HydrophobicContact CD1-CH2 4.46Å; F453-W490 HydrophobicContact CD1-CZ2 4.02Å; F453-W490 AromaticContact CD1-NE1 3.9Å; F453-W490 HydrophobicContact CE1-CB 4.18Å; F453-W490 AromaticContact CE1-CD2 3.89Å; F453-W490 HydrophobicContact CE1-CD2 3.89Å; F453-W490 HydrophobicContact CE1-CE3 4.39Å; F453-W490 AromaticContact CE1-CG 3.77Å; F453-W490 HydrophobicContact CE1-CG 3.77Å; F453-L506 HydrophobicContact CD2-CD1 3.8Å; F453-L506 HydrophobicContact CE2-CD1 3.48Å; F453-L506 VanDerWaalsContact CE2-CD1 3.48Å; F453-L506 HydrophobicContact CZ-CD1 4.07Å; F453-I511 HydrophobicContact CB-CD1 3.98Å; F453-I511 HydrophobicContact CD2-CG1 4.33Å
454	K	94.1	Very high	89.4	Confident	94 Å²	94	41.7 Å²	41.7	41%	0.409	20%	0.203	S	C	.	.	H	α-helix	trans	-57.4	-45.3	173.4	-178.2	-176.7	174.3	-168.1	0	111.9	D450 E451 L457 N458 W490	D450-K454 VanDerWaalsContact O-CB 3.27Å; D450-K454 WeakPolarHBondContact O-CB 3.29Å; D450-K454 PolarHBondContact O-N 3.23Å; E451-K454 PolarHBondContact O-N 3.42Å; K454-L457 PolarHBondContact O-N 3.4Å; K454-N458 VanDerWaalsContact O-CG 3.26Å; K454-N458 PolarHBondContact O-N 3.21Å; K454-N458 PolarHBondContact O-ND2 3.11Å; K454-W490 HydrophobicContact CB-CH2 4.04Å; K454-W490 HydrophobicContact CB-CZ3 4.3Å
455	R	93.4	Very high	88.2	Confident	128 Å²	128	42.2 Å²	42.2	48%	0.483	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-41.9	176	-177.1	174.7	63.9	-122.6	-2	111.7	E451 A452 F453 N458 N459	E451-R455 WeakPolarHBondContact O-CB 3.4Å; E451-R455 PolarHBondContact O-N 3.43Å; A452-R455 PolarHBondContact O-N 2.76Å; F453-R455 VanDerWaalsContact C-N 3.33Å; F453-R455 PolarHBondContact O-N 2.71Å; R455-N458 PolarHBondContact O-N 2.71Å; R455-N459 WeakPolarHBondContact O-CB 3.47Å; R455-N459 PolarHBondContact O-N 2.92Å; R455-N459 PolarHBondContact O-ND2 3.22Å
456	F	94.8	Very high	86.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-51.7	174.9	159.6	-106.3	0	0	0	111.6	F432 A452 F453 N458 N459 L460 I511 F514 L518	F432-F456 HydrophobicContact CD1-CE2 4.34Å; F432-F456 AromaticContact CD1-CZ 3.88Å; F432-F456 HydrophobicContact CD1-CZ 3.88Å; F432-F456 AromaticContact CE1-CE2 3.6Å; F432-F456 HydrophobicContact CE1-CE2 3.6Å; F432-F456 AromaticContact CE1-CZ 3.49Å; F432-F456 HydrophobicContact CE1-CZ 3.49Å; F432-F456 VanDerWaalsContact CE1-CZ 3.49Å; F432-F456 AromaticContact CZ-CE2 3.99Å; F432-F456 HydrophobicContact CZ-CE2 3.99Å; F432-F456 HydrophobicContact CZ-CZ 4.33Å; A452-F456 WeakPolarHBondContact O-CB 3.49Å; A452-F456 PolarHBondContact O-N 3.08Å; F453-F456 AromaticContact CD2-CD1 3.86Å; F453-F456 HydrophobicContact CD2-CD1 3.86Å; F453-F456 AromaticContact CE2-CD1 3.83Å; F453-F456 HydrophobicContact CE2-CD1 3.83Å; F453-F456 HydrophobicContact CE2-CE1 4.09Å; F453-F456 WeakPolarHBondContact O-CB 3.48Å; F453-F456 PolarHBondContact O-N 3.32Å; F456-N458 VanDerWaalsContact C-N 3.29Å; F456-N458 PolarHBondContact O-N 3.07Å; F456-N459 WeakPolarHBondContact O-CB 3.46Å; F456-N459 PolarHBondContact O-N 3.43Å; F456-N459 VanDerWaalsContact O-N 3.11Å; F456-L460 HydrophobicContact CE2-CD1 4.44Å; F456-L460 HydrophobicContact CZ-CD2 4Å; F456-L460 PolarHBondContact O-N 2.89Å; F456-I511 HydrophobicContact CB-CG2 4.23Å; F456-F514 HydrophobicContact CD2-CB 3.92Å; F456-F514 HydrophobicContact CE1-CD2 4.49Å; F456-F514 HydrophobicContact CE2-CB 3.56Å; F456-F514 HydrophobicContact CZ-CB 3.88Å; F456-F514 HydrophobicContact CZ-CD2 4.49Å; F456-F514 HydrophobicContact CZ-CG 4.46Å; F456-L518 HydrophobicContact CD2-CD1 4.14Å; F456-L518 HydrophobicContact CE2-CD1 4.13Å
457	L	93.4	Very high	85	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-42	177.9	-69.2	-179.5	0	0	0	111.7	L436 F453 K454 L460 V461 I483 T486 R487	L436-L457 HydrophobicContact CD2-CD2 4.13Å; F453-L457 HydrophobicContact CD1-CD1 4.13Å; F453-L457 HydrophobicContact CE1-CD1 3.63Å; F453-L457 HydrophobicContact CE1-CG 4.13Å; F453-L457 HydrophobicContact CE2-CD2 4.29Å; F453-L457 HydrophobicContact CE2-CG 4.31Å; F453-L457 HydrophobicContact CZ-CD1 3.93Å; F453-L457 HydrophobicContact CZ-CD2 4.01Å; F453-L457 HydrophobicContact CZ-CG 4.02Å; F453-L457 PolarHBondContact O-N 3.32Å; K454-L457 PolarHBondContact O-N 3.4Å; L457-L460 WeakPolarHBondContact O-CB 3.35Å; L457-L460 PolarHBondContact O-N 3.05Å; L457-V461 WeakPolarHBondContact O-CG2 3.28Å; L457-V461 PolarHBondContact O-N 2.87Å; L457-I483 HydrophobicContact CB-CG2 4.45Å; L457-T486 HydrophobicContact CD2-CG2 4.32Å; L457-R487 HydrophobicContact CD1-CB 4.26Å
458	N	91.5	Very high	83.1	Confident	63 Å²	63	52 Å²	52	34%	0.337	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-41.4	176.1	-69.8	-14.2	0	0	0	112.2	K454 R455 F456 L460 V461 F462 R487	K454-N458 VanDerWaalsContact O-CG 3.26Å; K454-N458 PolarHBondContact O-N 3.21Å; K454-N458 PolarHBondContact O-ND2 3.11Å; R455-N458 PolarHBondContact O-N 2.71Å; F456-N458 VanDerWaalsContact C-N 3.29Å; F456-N458 PolarHBondContact O-N 3.07Å; N458-L460 VanDerWaalsContact C-N 3.28Å; N458-L460 PolarHBondContact O-N 2.96Å; N458-V461 WeakPolarHBondContact O-CB 3.48Å; N458-V461 PolarHBondContact O-N 2.89Å; N458-F462 WeakPolarHBondContact O-CD2 3.49Å; N458-R487 PolarHBondContact OD1-NH2 3.13Å; N458-R487 VanDerWaalsContact OD1-NH2 3.13Å
459	N	90.3	Very high	81.3	Confident	40 Å²	40	52.1 Å²	52.1	21%	0.214	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-35.3	175.9	-78.8	-26.7	0	0	0	112	R455 F456 V461 F462 S463 Q515 L518	R455-N459 WeakPolarHBondContact O-CB 3.47Å; R455-N459 PolarHBondContact O-N 2.92Å; R455-N459 PolarHBondContact O-ND2 3.22Å; F456-N459 WeakPolarHBondContact O-CB 3.46Å; F456-N459 PolarHBondContact O-N 3.43Å; F456-N459 VanDerWaalsContact O-N 3.11Å; N459-V461 VanDerWaalsContact C-N 3.31Å; N459-V461 PolarHBondContact O-N 3.19Å; N459-F462 PolarHBondContact O-N 3.1Å; N459-S463 VanDerWaalsContact O-CB 3.32Å; N459-S463 WeakPolarHBondContact O-CB 3.39Å; N459-S463 PolarHBondContact O-N 2.99Å; N459-S463 PolarHBondContact O-OG 2.82Å; N459-Q515 VanDerWaalsContact ND2-CD 3.33Å; N459-Q515 PolarHBondContact ND2-NE2 2.89Å; N459-Q515 VanDerWaalsContact ND2-NE2 3.16Å; N459-Q515 PolarHBondContact ND2-OE1 3.29Å; N459-L518 HydrophobicContact CB-CD1 3.9Å
460	L	89.9	Confident	79.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-40.3	179.1	-164.8	62.1	0	0	0	111.6	F432 L436 F456 L457 N458 F462 S463 L464 F479 I483 L518	F432-L460 HydrophobicContact CB-CD1 4.2Å; F432-L460 HydrophobicContact CB-CD2 4.4Å; F432-L460 HydrophobicContact CD1-CD1 4.1Å; F432-L460 HydrophobicContact CD1-CD2 4.36Å; F432-L460 HydrophobicContact CD2-CD1 3.72Å; F432-L460 HydrophobicContact CE1-CD1 4.41Å; F432-L460 HydrophobicContact CE2-CD1 4.04Å; F432-L460 HydrophobicContact CG-CD1 3.74Å; F432-L460 HydrophobicContact CG-CD2 4.42Å; F432-L460 HydrophobicContact CZ-CD1 4.36Å; L436-L460 HydrophobicContact CD1-CD2 3.95Å; L436-L460 HydrophobicContact CD2-CD2 4.3Å; L436-L460 HydrophobicContact CG-CD2 4.44Å; F456-L460 HydrophobicContact CE2-CD1 4.44Å; F456-L460 HydrophobicContact CZ-CD2 4Å; F456-L460 PolarHBondContact O-N 2.89Å; L457-L460 WeakPolarHBondContact O-CB 3.35Å; L457-L460 PolarHBondContact O-N 3.05Å; N458-L460 VanDerWaalsContact C-N 3.28Å; N458-L460 PolarHBondContact O-N 2.96Å; L460-F462 PolarHBondContact O-N 3.19Å; L460-S463 PolarHBondContact O-N 3.2Å; L460-L464 HydrophobicContact CD1-CD1 3.76Å; L460-L464 HydrophobicContact CD1-CG 4.49Å; L460-F479 HydrophobicContact CD1-CE1 4.28Å; L460-F479 HydrophobicContact CD1-CZ 3.88Å; L460-F479 HydrophobicContact CD2-CE1 4.42Å; L460-F479 HydrophobicContact CD2-CZ 3.81Å; L460-F479 HydrophobicContact CG-CE1 3.9Å; L460-F479 HydrophobicContact CG-CZ 3.67Å; L460-I483 HydrophobicContact CB-CD1 4.17Å; L460-I483 HydrophobicContact CD2-CD1 4.09Å; L460-I483 HydrophobicContact CD2-CG1 4.03Å; L460-I483 HydrophobicContact CG-CD1 3.93Å; L460-I483 HydrophobicContact CG-CG1 4.43Å; L460-L518 HydrophobicContact CB-CD1 4.36Å; L460-L518 HydrophobicContact CD1-CD1 4.12Å; L460-L518 HydrophobicContact CD1-CD2 3.77Å
461	V	84.4	Confident	77.5	Confident	37 Å²	37	58 Å²	58	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-56	-33.4	175.4	175.3	0	0	0	0	112.5	L457 N458 N459 T465 L480 I483	L457-V461 WeakPolarHBondContact O-CG2 3.28Å; L457-V461 PolarHBondContact O-N 2.87Å; N458-V461 WeakPolarHBondContact O-CB 3.48Å; N458-V461 PolarHBondContact O-N 2.89Å; N459-V461 VanDerWaalsContact C-N 3.31Å; N459-V461 PolarHBondContact O-N 3.19Å; V461-T465 VanDerWaalsContact O-CB 3.31Å; V461-T465 WeakPolarHBondContact O-CB 3.2Å; V461-T465 PolarHBondContact O-OG1 3.25Å; V461-L480 HydrophobicContact CG1-CD2 3.96Å; V461-I483 HydrophobicContact CG2-CD1 3.88Å; V461-I483 HydrophobicContact CG2-CG2 3.84Å
462	F	79.5	Confident	75.5	Confident	168 Å²	168	56.4 Å²	56.4	74%	0.737	30%	0.298	S	S	*	.	H	α-helix	trans	-97.9	-20.2	-178	-60.9	-70.6	0	0	0	113.9	N458 N459 L460	N458-F462 WeakPolarHBondContact O-CD2 3.49Å; N459-F462 PolarHBondContact O-N 3.1Å; L460-F462 PolarHBondContact O-N 3.19Å
463	S	78.9	Confident	73.3	Confident	9 Å²	9	64.6 Å²	64.6	6%	0.063	34%	0.335	C	S	.	.	H	α-helix	trans	-92.6	-25.7	-166.3	-53.5	0	0	0	0	114.2	N459 L460 K522	N459-S463 VanDerWaalsContact O-CB 3.32Å; N459-S463 WeakPolarHBondContact O-CB 3.39Å; N459-S463 PolarHBondContact O-N 2.99Å; N459-S463 PolarHBondContact O-OG 2.82Å; L460-S463 PolarHBondContact O-N 3.2Å; S463-K522 WeakPolarHBondContact OG-CE 3.38Å; S463-K522 PolarHBondContact OG-NZ 3.19Å; S463-K522 VanDerWaalsContact OG-NZ 3.07Å
464	L	72.3	Confident	71.3	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.037	37%	0.366	C	S	.	.	S	Bend	trans	-129.5	6.1	-174	-62.4	176	0	0	0	113.7	L425 C428 L429 F432 L460 E466 F479 L518	L425-L464 HydrophobicContact CD2-CD2 3.67Å; C428-L464 HydrophobicContact CB-CD1 4.14Å; C428-L464 HydrophobicContact CB-CD2 4.02Å; L429-L464 HydrophobicContact CD1-CB 4.28Å; F432-L464 HydrophobicContact CD2-CD1 3.36Å; F432-L464 HydrophobicContact CE2-CD1 3.91Å; F432-L464 HydrophobicContact CG-CD1 4.31Å; L460-L464 HydrophobicContact CD1-CD1 3.76Å; L460-L464 HydrophobicContact CD1-CG 4.49Å; L464-E466 VanDerWaalsContact C-N 3.33Å; L464-F479 HydrophobicContact CB-CE1 4.08Å; L464-F479 HydrophobicContact CD1-CZ 4.41Å; L464-L518 HydrophobicContact CD1-CD2 3.98Å; L464-L518 HydrophobicContact CG-CD2 4.16Å
465	T	62.8	Low	69.6	Low	12 Å²	12	71.8 Å²	71.8	7%	0.074	37%	0.372	C	S	.	.	S	Bend	trans	-78.6	-21.5	-178.8	-58.8	0	0	0	0	112.3	V461 F475 L480	V461-T465 VanDerWaalsContact O-CB 3.31Å; V461-T465 WeakPolarHBondContact O-CB 3.2Å; V461-T465 PolarHBondContact O-OG1 3.25Å; T465-F475 HydrophobicContact CG2-CD1 3.76Å; T465-F475 HydrophobicContact CG2-CE1 4.47Å; T465-L480 HydrophobicContact CG2-CD1 4.17Å; T465-L480 HydrophobicContact CG2-CD2 4.2Å; T465-L480 HydrophobicContact CG2-CG 4.33Å
466	E	59.3	Low	68.7	Low	129 Å²	129	68.1 Å²	68.1	60%	0.603	36%	0.362	S	S	*	.	S	Bend	trans	-131.7	107.4	-178.6	-171.2	174.9	-162.1	0	0	108.9	L464	L464-E466 VanDerWaalsContact C-N 3.33Å
467	P	53.2	Low	68	Low	40 Å²	40	75.1 Å²	75.1	26%	0.26	39%	0.392	S	S	.	.			trans	-61.2	137.9	160.3	-15.9	27.3	0	0	0	109	T469 A470	P467-T469 PolarHBondContact O-N 3.48Å; P467-T469 VanDerWaalsContact O-N 3.08Å; P467-A470 HydrophobicContact CB-CB 3.89Å; P467-A470 HydrophobicContact CG-CB 3.79Å; P467-A470 WeakPolarHBondContact O-CB 3.26Å; P467-A470 PolarHBondContact O-N 3.46Å
468	P	52.3	Low	67.5	Low	76 Å²	76	79.8 Å²	79.8	49%	0.494	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.8	179.8	-25.5	30.8	0	0	0	114	I421 L425 M525	I421-P468 HydrophobicContact CG2-CG 4.43Å; L425-P468 HydrophobicContact CD1-CG 3.8Å; P468-M525 HydrophobicContact CG-SD 4Å
469	T	51.4	Low	67.3	Low	100 Å²	100	76.8 Å²	76.8	61%	0.613	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-0.2	179.4	42.1	0	0	0	0	114.3	D422 P467	D422-T469 PolarHBondContact OD1-OG1 3.4Å; D422-T469 WeakPolarHBondContact OD2-CG2 3.44Å; D422-T469 PolarHBondContact OD2-OG1 3.07Å; P467-T469 PolarHBondContact O-N 3.48Å; P467-T469 VanDerWaalsContact O-N 3.08Å
470	A	52.4	Low	67.2	Low	25 Å²	25	77 Å²	77	21%	0.207	40%	0.399	C	S	.	.	S	Bend	trans	-72.8	132.3	176.5	0	0	0	0	0	110.5	P467 A472 N474	P467-A470 HydrophobicContact CB-CB 3.89Å; P467-A470 HydrophobicContact CG-CB 3.79Å; P467-A470 WeakPolarHBondContact O-CB 3.26Å; P467-A470 PolarHBondContact O-N 3.46Å; A470-A472 PolarHBondContact O-N 3.47Å; A470-N474 HydrophobicContact CB-CB 4.26Å
471	E	51.8	Low	67.2	Low	172 Å²	172	84.6 Å²	84.6	80%	0.804	43%	0.428	S	S	*	.			trans	-54.3	129.9	163	-63.2	177.4	174.7	0	0	108	E473 N474	E471-E473 PolarHBondContact O-N 3.11Å; E471-N474 PolarHBondContact O-N 3.04Å
472	A	50.5	Low	67.6	Low	75 Å²	75	83.7 Å²	83.7	62%	0.62	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-8.1	-164.9	0	0	0	0	0	116.5	A470 F475	A470-A472 PolarHBondContact O-N 3.47Å; A472-F475 WeakPolarHBondContact O-CE2 3.47Å
473	E	48.3	Very low	68.2	Low	182 Å²	182	75.7 Å²	75.7	85%	0.85	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.9	179.7	-61.3	-169.4	165.6	0	0	113.8	E471 F475	E471-E473 PolarHBondContact O-N 3.11Å; E473-F475 VanDerWaalsContact C-N 3.28Å; E473-F475 PolarHBondContact O-N 3.15Å
474	N	53.2	Low	68.9	Low	124 Å²	124	79.3 Å²	79.3	66%	0.663	41%	0.405	S	S	*	.			trans	-86.9	50	-175.3	-106.8	-8.1	0	0	0	114.2	A470 E471 N476	A470-N474 HydrophobicContact CB-CB 4.26Å; E471-N474 PolarHBondContact O-N 3.04Å; N474-N476 PolarHBondContact O-N 3.3Å
475	F	58.3	Low	70	Confident	121 Å²	121	80.7 Å²	80.7	53%	0.531	42%	0.417	S	S	.	.			trans	-59.8	123.2	167.4	-69.1	-83.9	0	0	0	109.4	T465 A472 E473 K477	T465-F475 HydrophobicContact CG2-CD1 3.76Å; T465-F475 HydrophobicContact CG2-CE1 4.47Å; A472-F475 WeakPolarHBondContact O-CE2 3.47Å; E473-F475 VanDerWaalsContact C-N 3.28Å; E473-F475 PolarHBondContact O-N 3.15Å; F475-K477 HydrophobicContact CB-CG 4.35Å; F475-K477 PolarHBondContact O-N 2.62Å
476	N	74.3	Confident	71.6	Confident	50 Å²	50	80.1 Å²	80.1	27%	0.267	41%	0.414	S	S	.	.			trans	-73	75.1	171.1	-166.1	-18.4	0	0	0	110	N474 E478 F479 L480	N474-N476 PolarHBondContact O-N 3.3Å; N476-E478 PolarHBondContact O-N 3.28Å; N476-F479 HydrophobicContact CB-CB 3.86Å; N476-F479 WeakPolarHBondContact O-CB 3.25Å; N476-F479 PolarHBondContact O-N 2.92Å; N476-F479 WeakPolarHBondContact OD1-CB 3.49Å; N476-F479 PolarHBondContact OD1-N 3.45Å; N476-L480 PolarHBondContact O-N 3.48Å
477	K	79.6	Confident	73.3	Confident	147 Å²	147	76.9 Å²	76.9	64%	0.639	40%	0.396	S	S	*	.	H	α-helix	trans	-55.3	-33.5	-178.2	-69.5	177.8	-177.5	172.2	0	111.7	F475 R481	F475-K477 HydrophobicContact CB-CG 4.35Å; F475-K477 PolarHBondContact O-N 2.62Å; K477-R481 WeakPolarHBondContact O-CG 3.31Å; K477-R481 PolarHBondContact O-N 3.28Å
478	E	83.2	Confident	75.2	Confident	98 Å²	98	80.1 Å²	80.1	46%	0.458	41%	0.408	S	S	.	.	H	α-helix	trans	-70	-42.8	177.9	-170.4	56.7	-158.7	0	0	111.6	N476 L480 R481 L482	N476-E478 PolarHBondContact O-N 3.28Å; E478-L480 VanDerWaalsContact C-N 3.32Å; E478-L480 PolarHBondContact O-N 2.92Å; E478-R481 WeakPolarHBondContact O-CB 3.37Å; E478-R481 PolarHBondContact O-N 3.01Å; E478-R481 IonicContact OE2-NH1 2.63Å; E478-R481 PolarHBondContact OE2-NH1 3.07Å; E478-L482 WeakPolarHBondContact O-CG 3.41Å; E478-L482 PolarHBondContact O-N 3.47Å
479	F	88	Confident	77.1	Confident	1 Å²	1	78.2 Å²	78.2	0%	0.004	39%	0.392	C	S	.	.	H	α-helix	trans	-61.6	-40.8	173.8	-172.2	-116.9	0	0	0	112.4	L429 F432 T433 L436 L460 L464 N476 R481 L482 I483	L429-F479 HydrophobicContact CD1-CB 4.18Å; L429-F479 HydrophobicContact CD1-CD1 3.69Å; L429-F479 HydrophobicContact CD1-CD2 3.77Å; L429-F479 HydrophobicContact CD1-CE1 3.89Å; L429-F479 HydrophobicContact CD1-CE2 3.98Å; L429-F479 HydrophobicContact CD1-CG 3.61Å; L429-F479 HydrophobicContact CD1-CZ 4.03Å; F432-F479 HydrophobicContact CB-CE2 3.78Å; F432-F479 HydrophobicContact CB-CZ 3.77Å; T433-F479 WeakPolarHBondContact OG1-CD2 3.32Å; L436-F479 HydrophobicContact CD1-CD2 4.2Å; L436-F479 HydrophobicContact CD1-CE2 3.67Å; L436-F479 HydrophobicContact CD1-CZ 4.2Å; L460-F479 HydrophobicContact CD1-CE1 4.28Å; L460-F479 HydrophobicContact CD1-CZ 3.88Å; L460-F479 HydrophobicContact CD2-CE1 4.42Å; L460-F479 HydrophobicContact CD2-CZ 3.81Å; L460-F479 HydrophobicContact CG-CE1 3.9Å; L460-F479 HydrophobicContact CG-CZ 3.67Å; L464-F479 HydrophobicContact CB-CE1 4.08Å; L464-F479 HydrophobicContact CD1-CZ 4.41Å; N476-F479 HydrophobicContact CB-CB 3.86Å; N476-F479 WeakPolarHBondContact O-CB 3.25Å; N476-F479 PolarHBondContact O-N 2.92Å; N476-F479 WeakPolarHBondContact OD1-CB 3.49Å; N476-F479 PolarHBondContact OD1-N 3.45Å; F479-R481 VanDerWaalsContact C-N 3.35Å; F479-R481 PolarHBondContact O-N 3Å; F479-L482 WeakPolarHBondContact O-CB 3.44Å; F479-L482 PolarHBondContact O-N 2.82Å; F479-I483 HydrophobicContact CD1-CD1 3.97Å; F479-I483 HydrophobicContact CE1-CD1 3.76Å; F479-I483 HydrophobicContact CE1-CG1 4.49Å; F479-I483 HydrophobicContact CZ-CD1 4.29Å; F479-I483 WeakPolarHBondContact O-CG1 3.23Å; F479-I483 PolarHBondContact O-N 3.38Å
480	L	87.2	Confident	79.1	Confident	43 Å²	43	74 Å²	74	23%	0.225	37%	0.365	C	S	.	.	H	α-helix	trans	-61	-42.4	173.9	-67	176.9	0	0	0	112.1	V461 T465 N476 E478 L482 I483 D484	V461-L480 HydrophobicContact CG1-CD2 3.96Å; T465-L480 HydrophobicContact CG2-CD1 4.17Å; T465-L480 HydrophobicContact CG2-CD2 4.2Å; T465-L480 HydrophobicContact CG2-CG 4.33Å; N476-L480 PolarHBondContact O-N 3.48Å; E478-L480 VanDerWaalsContact C-N 3.32Å; E478-L480 PolarHBondContact O-N 2.92Å; L480-L482 VanDerWaalsContact C-N 3.32Å; L480-L482 PolarHBondContact O-N 3.33Å; L480-I483 HydrophobicContact CD2-CD1 4.5Å; L480-I483 PolarHBondContact O-N 2.9Å; L480-D484 PolarHBondContact O-N 3.24Å
481	R	90.1	Very high	80.9	Confident	161 Å²	161	77 Å²	77	61%	0.608	38%	0.377	S	S	*	.	H	α-helix	trans	-61	-39.9	174.1	-74.8	174	-178.6	159	-3	112.3	K477 E478 F479 I483 D484 A485	K477-R481 WeakPolarHBondContact O-CG 3.31Å; K477-R481 PolarHBondContact O-N 3.28Å; E478-R481 WeakPolarHBondContact O-CB 3.37Å; E478-R481 PolarHBondContact O-N 3.01Å; E478-R481 IonicContact OE2-NH1 2.63Å; E478-R481 PolarHBondContact OE2-NH1 3.07Å; F479-R481 VanDerWaalsContact C-N 3.35Å; F479-R481 PolarHBondContact O-N 3Å; R481-I483 VanDerWaalsContact C-N 3.34Å; R481-D484 PolarHBondContact O-N 3.48Å; R481-A485 VanDerWaalsContact O-CB 3.26Å; R481-A485 WeakPolarHBondContact O-CB 3.48Å; R481-A485 PolarHBondContact O-N 2.98Å
482	L	92.6	Very high	82.6	Confident	17 Å²	17	74.7 Å²	74.7	9%	0.089	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-39.6	175.8	-70.6	173.2	0	0	0	111.8	T433 L436 Q437 I440 E478 F479 L480 T486	T433-L482 HydrophobicContact CG2-CD1 3.66Å; L436-L482 HydrophobicContact CB-CB 4.11Å; L436-L482 HydrophobicContact CD1-CB 4Å; Q437-L482 HydrophobicContact CG-CD1 4.07Å; Q437-L482 HydrophobicContact CG-CD2 3.8Å; I440-L482 HydrophobicContact CD1-CD2 3.76Å; E478-L482 WeakPolarHBondContact O-CG 3.41Å; E478-L482 PolarHBondContact O-N 3.47Å; F479-L482 WeakPolarHBondContact O-CB 3.44Å; F479-L482 PolarHBondContact O-N 2.82Å; L480-L482 VanDerWaalsContact C-N 3.32Å; L480-L482 PolarHBondContact O-N 3.33Å; L482-T486 VanDerWaalsContact O-CB 3.29Å; L482-T486 WeakPolarHBondContact O-CB 3.43Å; L482-T486 PolarHBondContact O-N 3.45Å; L482-T486 PolarHBondContact O-OG1 3.3Å
483	I	93	Very high	84.3	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-46	175.3	-64.7	169.9	0	0	0	110.5	L436 L457 L460 V461 F479 L480 R481 T486 R487	L436-I483 HydrophobicContact CD1-CG1 3.6Å; L457-I483 HydrophobicContact CB-CG2 4.45Å; L460-I483 HydrophobicContact CB-CD1 4.17Å; L460-I483 HydrophobicContact CD2-CD1 4.09Å; L460-I483 HydrophobicContact CD2-CG1 4.03Å; L460-I483 HydrophobicContact CG-CD1 3.93Å; L460-I483 HydrophobicContact CG-CG1 4.43Å; V461-I483 HydrophobicContact CG2-CD1 3.88Å; V461-I483 HydrophobicContact CG2-CG2 3.84Å; F479-I483 HydrophobicContact CD1-CD1 3.97Å; F479-I483 HydrophobicContact CE1-CD1 3.76Å; F479-I483 HydrophobicContact CE1-CG1 4.49Å; F479-I483 HydrophobicContact CZ-CD1 4.29Å; F479-I483 WeakPolarHBondContact O-CG1 3.23Å; F479-I483 PolarHBondContact O-N 3.38Å; L480-I483 HydrophobicContact CD2-CD1 4.5Å; L480-I483 PolarHBondContact O-N 2.9Å; R481-I483 VanDerWaalsContact C-N 3.34Å; I483-T486 PolarHBondContact O-N 3.28Å; I483-R487 WeakPolarHBondContact O-CB 3.41Å; I483-R487 PolarHBondContact O-N 3.46Å
484	D	93.4	Very high	85.7	Confident	86 Å²	86	67.3 Å²	67.3	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-67.4	-42.7	-179.3	-71.1	-26.4	0	0	0	112.1	L480 R481 T486 R487 E488	L480-D484 PolarHBondContact O-N 3.24Å; R481-D484 PolarHBondContact O-N 3.48Å; D484-T486 VanDerWaalsContact C-N 3.33Å; D484-T486 PolarHBondContact O-N 2.95Å; D484-R487 WeakPolarHBondContact O-CB 3.2Å; D484-R487 PolarHBondContact O-N 2.98Å; D484-R487 IonicContact OD1-CZ 2.96Å; D484-R487 IonicContact OD1-NH1 3.93Å; D484-R487 PolarHBondContact OD1-NH1 3.34Å; D484-E488 PolarHBondContact O-N 3.12Å
485	A	95.6	Very high	86.3	Confident	35 Å²	35	66.8 Å²	66.8	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-40.6	174.3	0	0	0	0	0	111.7	I440 R481 E488 H489	I440-A485 HydrophobicContact CD1-CB 3.66Å; I440-A485 HydrophobicContact CG1-CB 4.19Å; R481-A485 VanDerWaalsContact O-CB 3.26Å; R481-A485 WeakPolarHBondContact O-CB 3.48Å; R481-A485 PolarHBondContact O-N 2.98Å; A485-E488 PolarHBondContact O-N 3.32Å; A485-H489 WeakPolarHBondContact O-CB 3.39Å; A485-H489 PolarHBondContact O-N 2.95Å
486	T	95.7	Very high	86.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-42.8	173.8	-59	0	0	0	0	111.1	L436 F439 L445 F453 L457 L482 I483 D484 E488 H489 W490	L436-T486 HydrophobicContact CD2-CG2 3.89Å; L436-T486 WeakPolarHBondContact CD2-OG1 3.35Å; F439-T486 HydrophobicContact CB-CG2 4.05Å; F439-T486 HydrophobicContact CD2-CG2 4Å; L445-T486 HydrophobicContact CD2-CG2 4.14Å; F453-T486 HydrophobicContact CZ-CG2 4.27Å; L457-T486 HydrophobicContact CD2-CG2 4.32Å; L482-T486 VanDerWaalsContact O-CB 3.29Å; L482-T486 WeakPolarHBondContact O-CB 3.43Å; L482-T486 PolarHBondContact O-N 3.45Å; L482-T486 PolarHBondContact O-OG1 3.3Å; I483-T486 PolarHBondContact O-N 3.28Å; D484-T486 VanDerWaalsContact C-N 3.33Å; D484-T486 PolarHBondContact O-N 2.95Å; T486-E488 VanDerWaalsContact C-N 3.34Å; T486-E488 PolarHBondContact O-N 3.34Å; T486-H489 PolarHBondContact O-N 3.27Å; T486-W490 VanDerWaalsContact O-CB 3.26Å; T486-W490 WeakPolarHBondContact O-CB 3.26Å; T486-W490 PolarHBondContact O-N 3.35Å
487	R	94.7	Very high	85.3	Confident	62 Å²	62	68.1 Å²	68.1	23%	0.234	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-42.1	177.5	-170.6	-175.3	-70.2	125.3	-3.8	111.3	L457 N458 I483 D484 N491	L457-R487 HydrophobicContact CD1-CB 4.26Å; N458-R487 PolarHBondContact OD1-NH2 3.13Å; N458-R487 VanDerWaalsContact OD1-NH2 3.13Å; I483-R487 WeakPolarHBondContact O-CB 3.41Å; I483-R487 PolarHBondContact O-N 3.46Å; D484-R487 WeakPolarHBondContact O-CB 3.2Å; D484-R487 PolarHBondContact O-N 2.98Å; D484-R487 IonicContact OD1-CZ 2.96Å; D484-R487 IonicContact OD1-NH1 3.93Å; D484-R487 PolarHBondContact OD1-NH1 3.34Å; R487-N491 WeakPolarHBondContact O-CB 3.5Å; R487-N491 VanDerWaalsContact O-CG 3.24Å; R487-N491 PolarHBondContact O-N 3.08Å; R487-N491 PolarHBondContact O-ND2 2.94Å; R487-N491 VanDerWaalsContact O-ND2 3.13Å
488	E	94.1	Very high	84.3	Confident	108 Å²	108	66 Å²	66	51%	0.505	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-46.9	176.7	-171.7	-178.6	171.3	0	0	111.8	D484 A485 T486 W490 N491 K492	D484-E488 PolarHBondContact O-N 3.12Å; A485-E488 PolarHBondContact O-N 3.32Å; T486-E488 VanDerWaalsContact C-N 3.34Å; T486-E488 PolarHBondContact O-N 3.34Å; E488-W490 PolarHBondContact O-N 2.93Å; E488-N491 PolarHBondContact O-N 2.85Å; E488-K492 HydrophobicContact CG-CD 4.32Å; E488-K492 WeakPolarHBondContact O-CG 3.17Å; E488-K492 PolarHBondContact O-N 2.72Å; E488-K492 WeakPolarHBondContact OE1-CE 3.47Å; E488-K492 IonicContact OE1-NZ 2.67Å; E488-K492 PolarHBondContact OE1-NZ 3.34Å
489	H	92.5	Very high	83.2	Confident	36 Å²	36	70.6 Å²	70.6	17%	0.167	36%	0.357	C	S	.	.	H	α-helix	trans	-59.3	-46.1	178	-178.4	82.3	0	0	0	111.6	F439 S442 G444 A485 T486 K492 T493	F439-H489 PolarHBondContact O-CD2 3.48Å; S442-H489 PolarHBondContact O-CE1 2.84Å; S442-H489 PolarHBondContact O-NE2 2.89Å; G444-H489 WeakPolarHBondContact CA-NE2 3.12Å; A485-H489 WeakPolarHBondContact O-CB 3.39Å; A485-H489 PolarHBondContact O-N 2.95Å; T486-H489 PolarHBondContact O-N 3.27Å; H489-K492 PolarHBondContact O-N 3.34Å; H489-T493 WeakPolarHBondContact O-CB 3.38Å; H489-T493 WeakPolarHBondContact O-CG2 3.4Å; H489-T493 PolarHBondContact O-N 2.9Å; H489-T493 VanDerWaalsContact O-N 3.16Å; H489-T493 PolarHBondContact O-OG1 2.96Å
490	W	93.2	Very high	82.2	Confident	10 Å²	10	73.5 Å²	73.5	4%	0.038	37%	0.372	C	S	.	.	H	α-helix	trans	-60	-47.9	174.8	174.9	56.7	0	0	0	112.8	L445 D450 F453 K454 T486 E488 K492 T493 K494	L445-W490 HydrophobicContact CD2-CB 4.11Å; L445-W490 HydrophobicContact CD2-CG 4.5Å; D450-W490 HydrophobicContact CB-CH2 4.16Å; D450-W490 HydrophobicContact CB-CZ2 3.57Å; D450-W490 WeakPolarHBondContact O-CH2 3.4Å; D450-W490 WeakPolarHBondContact OD1-CZ2 3.43Å; F453-W490 AromaticContact CD1-CD2 3.74Å; F453-W490 HydrophobicContact CD1-CD2 3.74Å; F453-W490 AromaticContact CD1-CE2 3.66Å; F453-W490 HydrophobicContact CD1-CE3 4.21Å; F453-W490 HydrophobicContact CD1-CG 4.03Å; F453-W490 HydrophobicContact CD1-CH2 4.46Å; F453-W490 HydrophobicContact CD1-CZ2 4.02Å; F453-W490 AromaticContact CD1-NE1 3.9Å; F453-W490 HydrophobicContact CE1-CB 4.18Å; F453-W490 AromaticContact CE1-CD2 3.89Å; F453-W490 HydrophobicContact CE1-CD2 3.89Å; F453-W490 HydrophobicContact CE1-CE3 4.39Å; F453-W490 AromaticContact CE1-CG 3.77Å; F453-W490 HydrophobicContact CE1-CG 3.77Å; K454-W490 HydrophobicContact CB-CH2 4.04Å; K454-W490 HydrophobicContact CB-CZ3 4.3Å; T486-W490 VanDerWaalsContact O-CB 3.26Å; T486-W490 WeakPolarHBondContact O-CB 3.26Å; T486-W490 PolarHBondContact O-N 3.35Å; E488-W490 PolarHBondContact O-N 2.93Å; W490-K492 VanDerWaalsContact C-N 3.28Å; W490-K492 PolarHBondContact O-N 2.75Å; W490-T493 PolarHBondContact O-N 3.45Å; W490-T493 VanDerWaalsContact O-N 3.15Å; W490-T493 PolarHBondContact O-OG1 3.47Å; W490-K494 HydrophobicContact CZ2-CD 3.97Å; W490-K494 WeakPolarHBondContact O-CB 3.3Å; W490-K494 PolarHBondContact O-N 2.93Å
491	N	90.2	Very high	81.2	Confident	89 Å²	89	77 Å²	77	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-61.8	-35.7	179.6	-77.9	-31	0	0	0	112.7	R487 E488	R487-N491 WeakPolarHBondContact O-CB 3.5Å; R487-N491 VanDerWaalsContact O-CG 3.24Å; R487-N491 PolarHBondContact O-N 3.08Å; R487-N491 PolarHBondContact O-ND2 2.94Å; R487-N491 VanDerWaalsContact O-ND2 3.13Å; E488-N491 PolarHBondContact O-N 2.85Å
492	K	87.3	Confident	80.3	Confident	124 Å²	124	71.8 Å²	71.8	54%	0.539	39%	0.394	S	S	.	.	H	α-helix	trans	-69.9	-31.9	176.8	-73.5	175.1	-177.6	170.4	0	112.7	E488 H489 W490 F496	E488-K492 HydrophobicContact CG-CD 4.32Å; E488-K492 WeakPolarHBondContact O-CG 3.17Å; E488-K492 PolarHBondContact O-N 2.72Å; E488-K492 WeakPolarHBondContact OE1-CE 3.47Å; E488-K492 IonicContact OE1-NZ 2.67Å; E488-K492 PolarHBondContact OE1-NZ 3.34Å; H489-K492 PolarHBondContact O-N 3.34Å; W490-K492 VanDerWaalsContact C-N 3.28Å; W490-K492 PolarHBondContact O-N 2.75Å; K492-F496 VanDerWaalsContact O-CE2 3.31Å; K492-F496 WeakPolarHBondContact O-CE2 3.44Å
493	T	85.3	Confident	79.9	Confident	15 Å²	15	72.3 Å²	72.3	9%	0.092	40%	0.399	C	S	.	.	H	α-helix	trans	-103.6	-23.6	-167.7	54.3	0	0	0	0	113.4	L445 H489 W490 T495 F496	L445-T493 PolarHBondContact N-OG1 3.19Å; L445-T493 PolarHBondContact O-OG1 3.37Å; H489-T493 WeakPolarHBondContact O-CB 3.38Å; H489-T493 WeakPolarHBondContact O-CG2 3.4Å; H489-T493 PolarHBondContact O-N 2.9Å; H489-T493 VanDerWaalsContact O-N 3.16Å; H489-T493 PolarHBondContact O-OG1 2.96Å; W490-T493 PolarHBondContact O-N 3.45Å; W490-T493 VanDerWaalsContact O-N 3.15Å; W490-T493 PolarHBondContact O-OG1 3.47Å; T493-T495 PolarHBondContact O-N 2.87Å; T493-F496 PolarHBondContact O-N 2.99Å
494	K	77.7	Confident	79.7	Confident	87 Å²	87	73.4 Å²	73.4	38%	0.378	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-55.9	-32.9	177.1	172	178.7	155.8	165	0	113.9	D450 W490 F496	D450-K494 HydrophobicContact CB-CD 4.36Å; D450-K494 VanDerWaalsContact CG-CE 3.45Å; D450-K494 IonicContact OD1-NZ 3.86Å; D450-K494 WeakPolarHBondContact OD2-CD 3.44Å; D450-K494 WeakPolarHBondContact OD2-CE 3.17Å; D450-K494 IonicContact OD2-NZ 2.72Å; D450-K494 PolarHBondContact OD2-NZ 3.22Å; W490-K494 HydrophobicContact CZ2-CD 3.97Å; W490-K494 WeakPolarHBondContact O-CB 3.3Å; W490-K494 PolarHBondContact O-N 2.93Å; K494-F496 VanDerWaalsContact C-N 3.3Å; K494-F496 PolarHBondContact O-N 3.33Å
495	T	66.1	Low	79.5	Confident	112 Å²	112	71.7 Å²	71.7	69%	0.687	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-73.7	-17.4	-175	50.9	0	0	0	0	114.1	T493 G497	T493-T495 PolarHBondContact O-N 2.87Å; T495-G497 VanDerWaalsContact C-N 3.26Å; T495-G497 PolarHBondContact O-N 3.05Å
496	F	57.2	Low	79.4	Confident	122 Å²	122	70 Å²	70	54%	0.535	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-71.1	-17.1	-171.8	-76.4	-79.2	0	0	0	114.1	K492 T493 K494 T498 I500	K492-F496 VanDerWaalsContact O-CE2 3.31Å; K492-F496 WeakPolarHBondContact O-CE2 3.44Å; T493-F496 PolarHBondContact O-N 2.99Å; K494-F496 VanDerWaalsContact C-N 3.3Å; K494-F496 PolarHBondContact O-N 3.33Å; F496-T498 PolarHBondContact O-N 3.07Å; F496-T498 PolarHBondContact O-OG1 2.61Å; F496-I500 HydrophobicContact CB-CD1 4.41Å; F496-I500 HydrophobicContact CG-CD1 4.46Å
497	G	55.2	Low	79.2	Confident	78 Å²	78	75.7 Å²	75.7	80%	0.804	40%	0.401	S	S	*	.			trans	59.8	-16.9	172.4	0	0	0	0	0	116.6	T495	T495-G497 VanDerWaalsContact C-N 3.26Å; T495-G497 PolarHBondContact O-N 3.05Å
498	T	57.3	Low	79.1	Confident	103 Å²	103	80.2 Å²	80.2	63%	0.632	42%	0.418	S	S	*	.	S	Bend	trans	-107.1	132.5	179.8	21	0	0	0	0	107.8	F496 I500	F496-T498 PolarHBondContact O-N 3.07Å; F496-T498 PolarHBondContact O-OG1 2.61Å; T498-I500 PolarHBondContact O-N 3.1Å
499	R	60.7	Low	79.1	Confident	193 Å²	193	79.2 Å²	79.2	73%	0.728	42%	0.419	S	S	*	.			trans	-65	104.4	173.9	-75.3	-178.2	177.5	-175.7	-1.2	108.5
500	I	66.8	Low	79.1	Confident	62 Å²	62	77.8 Å²	77.8	32%	0.318	41%	0.413	S	S	.	.			trans	-69.9	131.6	172.1	-52.9	174.3	0	0	0	106.8	F496 T498 G502 S503	F496-I500 HydrophobicContact CB-CD1 4.41Å; F496-I500 HydrophobicContact CG-CD1 4.46Å; T498-I500 PolarHBondContact O-N 3.1Å; I500-G502 PolarHBondContact O-N 2.86Å; I500-S503 PolarHBondContact N-OG 3.23Å; I500-S503 VanDerWaalsContact O-CB 3.28Å; I500-S503 WeakPolarHBondContact O-CB 3.04Å; I500-S503 PolarHBondContact O-N 3.16Å; I500-S503 PolarHBondContact O-OG 3.07Å
501	P	67.1	Low	79.1	Confident	116 Å²	116	77.5 Å²	77.5	75%	0.753	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	130.4	170.3	-22.9	33.2	0	0	0	109.7
502	G	71.4	Confident	79.4	Confident	53 Å²	53	76 Å²	76	55%	0.546	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-10.1	-174.5	0	0	0	0	0	115.4	I500	I500-G502 PolarHBondContact O-N 2.86Å
503	S	84.4	Confident	79.7	Confident	28 Å²	28	70.8 Å²	70.8	20%	0.196	39%	0.39	C	S	.	.			trans	-73	144.8	174	64.4	0	0	0	0	113	G444 I500	G444-S503 CarbonylContact O-C 3.45Å; G444-S503 VanDerWaalsContact O-CA 3.22Å; G444-S503 WeakPolarHBondContact O-CA 3.32Å; G444-S503 WeakPolarHBondContact O-CB 3.46Å; I500-S503 PolarHBondContact N-OG 3.23Å; I500-S503 VanDerWaalsContact O-CB 3.28Å; I500-S503 WeakPolarHBondContact O-CB 3.04Å; I500-S503 PolarHBondContact O-N 3.16Å; I500-S503 PolarHBondContact O-OG 3.07Å
504	I	88.4	Confident	80.2	Confident	22 Å²	22	70 Å²	70	11%	0.113	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.8	171	-64.3	175	0	0	0	108.8	Y186 R438 F439 G444 L445 T446 L506	Y186-I504 WeakPolarHBondContact OH-CG2 3.34Å; R438-I504 HydrophobicContact CG-CD1 4.18Å; F439-I504 HydrophobicContact CD1-CD1 3.96Å; F439-I504 HydrophobicContact CD1-CG2 4.38Å; F439-I504 HydrophobicContact CE1-CD1 4.5Å; F439-I504 HydrophobicContact CE1-CG2 4.22Å; G444-I504 PolarHBondContact O-N 3.43Å; L445-I504 WeakPolarHBondContact CA-O 3.23Å; L445-I504 HydrophobicContact CD1-CB 3.9Å; L445-I504 HydrophobicContact CD1-CG2 3.76Å; T446-I504 PolarHBondContact N-O 3.43Å; I504-L506 HydrophobicContact CG2-CD2 3.86Å; I504-L506 HydrophobicContact CG2-CG 4.35Å
505	H	89.4	Confident	81	Confident	50 Å²	50	67 Å²	67	23%	0.231	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.2	174.3	179.8	71.9	0	0	0	110.1	T446 D448	T446-H505 CarbonylContact O-C 3.57Å; T446-H505 WeakPolarHBondContact O-CA 3.46Å; T446-H505 PolarHBondContact OG1-ND1 2.64Å; D448-H505 IonicContact OD1-CE1 3.88Å; D448-H505 IonicContact OD1-NE2 2.67Å; D448-H505 PolarHBondContact OD1-NE2 3.07Å; D448-H505 VanDerWaalsContact OD1-NE2 3.11Å
506	L	91.8	Very high	82.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.2	-177.7	-60.3	-179.2	0	0	0	111.1	Y186 F439 L445 T446 T447 D448 F453 I504 I511 F514	Y186-L506 HydrophobicContact CE2-CD2 4.21Å; F439-L506 HydrophobicContact CE1-CD1 4.43Å; F439-L506 HydrophobicContact CE1-CD2 3.91Å; F439-L506 HydrophobicContact CE2-CD1 3.97Å; F439-L506 HydrophobicContact CZ-CD1 3.77Å; F439-L506 HydrophobicContact CZ-CD2 3.77Å; F439-L506 HydrophobicContact CZ-CG 4.35Å; L445-L506 HydrophobicContact CD1-CD1 3.99Å; L445-L506 HydrophobicContact CD1-CG 3.95Å; T446-L506 PolarHBondContact O-N 3.23Å; T447-L506 WeakPolarHBondContact CA-O 3.48Å; T447-L506 HydrophobicContact CG2-CB 4.13Å; T447-L506 HydrophobicContact CG2-CD1 4.33Å; D448-L506 PolarHBondContact N-O 3.42Å; F453-L506 HydrophobicContact CD2-CD1 3.8Å; F453-L506 HydrophobicContact CE2-CD1 3.48Å; F453-L506 VanDerWaalsContact CE2-CD1 3.48Å; F453-L506 HydrophobicContact CZ-CD1 4.07Å; I504-L506 HydrophobicContact CG2-CD2 3.86Å; I504-L506 HydrophobicContact CG2-CG 4.35Å; L506-I511 HydrophobicContact CB-CD1 4.31Å; L506-I511 HydrophobicContact CB-CG1 4.12Å; L506-F514 HydrophobicContact CD2-CE2 4.3Å
507	R	92.8	Very high	84.1	Confident	120 Å²	120	56.9 Å²	56.9	45%	0.453	32%	0.322	S	S	.	.			trans	-73.1	155.3	174.3	-65.9	172.6	-68.4	-179	-2.9	111	D448 T509 E510 I511	D448-R507 VanDerWaalsContact OD2-CA 3.23Å; D448-R507 WeakPolarHBondContact OD2-CA 3.38Å; R507-T509 PolarHBondContact O-N 3.06Å; R507-T509 VanDerWaalsContact O-N 3.1Å; R507-E510 HydrophobicContact CB-CG 4.46Å; R507-E510 WeakPolarHBondContact CB-OE2 3.5Å; R507-E510 IonicContact CZ-OE1 3.13Å; R507-E510 PolarHBondContact N-OE2 3.5Å; R507-E510 IonicContact NE-OE1 2.76Å; R507-E510 PolarHBondContact NE-OE1 3.5Å; R507-E510 IonicContact NE-OE2 3.11Å; R507-E510 PolarHBondContact NE-OE2 3.34Å; R507-E510 IonicContact NH2-OE1 3.01Å; R507-E510 PolarHBondContact NH2-OE1 3.15Å; R507-E510 PolarHBondContact O-N 3.42Å; R507-I511 PolarHBondContact O-N 2.69Å
508	R	92.3	Very high	85.9	Confident	156 Å²	156	53.1 Å²	53.1	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-52.3	-36.6	173.9	-168.5	-175.5	-176.2	93.8	9.5	112.5	D448 D449 A512	D448-R508 HydrophobicContact CB-CB 4.32Å; D448-R508 PolarHBondContact OD2-N 2.71Å; D449-R508 HydrophobicContact CB-CG 4.46Å; D449-R508 IonicContact OD2-CZ 3.92Å; D449-R508 IonicContact OD2-NH1 3.87Å; D449-R508 PolarHBondContact OD2-NH1 3.33Å; D449-R508 IonicContact OD2-NH2 3.1Å; D449-R508 PolarHBondContact OD2-NH2 2.94Å; R508-A512 WeakPolarHBondContact O-CB 3.18Å; R508-A512 PolarHBondContact O-N 3.31Å
509	T	93.5	Very high	87.7	Confident	87 Å²	87	52 Å²	52	53%	0.534	27%	0.273	S	S	.	.	H	α-helix	trans	-68.7	-35.3	179	50.9	0	0	0	0	113.1	R507 A512 I513	R507-T509 PolarHBondContact O-N 3.06Å; R507-T509 VanDerWaalsContact O-N 3.1Å; T509-A512 PolarHBondContact O-N 3.48Å; T509-I513 WeakPolarHBondContact O-CD1 3.39Å; T509-I513 VanDerWaalsContact O-CG1 3.23Å; T509-I513 WeakPolarHBondContact O-CG1 3.4Å; T509-I513 PolarHBondContact O-N 2.72Å
510	E	92.9	Very high	89.3	Confident	7 Å²	7	45 Å²	45	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-71.4	-44.4	178.9	-70.9	165.1	151.3	0	0	110.7	T187 R507 A512 I513 F514	T187-E510 HydrophobicContact CG2-CG 4.04Å; T187-E510 WeakPolarHBondContact CG2-OE1 3.34Å; T187-E510 PolarHBondContact OG1-OE1 3Å; R507-E510 HydrophobicContact CB-CG 4.46Å; R507-E510 WeakPolarHBondContact CB-OE2 3.5Å; R507-E510 IonicContact CZ-OE1 3.13Å; R507-E510 PolarHBondContact N-OE2 3.5Å; R507-E510 IonicContact NE-OE1 2.76Å; R507-E510 PolarHBondContact NE-OE1 3.5Å; R507-E510 IonicContact NE-OE2 3.11Å; R507-E510 PolarHBondContact NE-OE2 3.34Å; R507-E510 IonicContact NH2-OE1 3.01Å; R507-E510 PolarHBondContact NH2-OE1 3.15Å; R507-E510 PolarHBondContact O-N 3.42Å; E510-A512 VanDerWaalsContact C-N 3.27Å; E510-A512 PolarHBondContact O-N 2.89Å; E510-I513 PolarHBondContact O-N 3.28Å; E510-I513 VanDerWaalsContact O-N 3.11Å; E510-F514 HydrophobicContact CB-CE2 4.4Å; E510-F514 HydrophobicContact CB-CZ 4.45Å; E510-F514 WeakPolarHBondContact O-CD2 3.31Å; E510-F514 VanDerWaalsContact O-CG 3.3Å; E510-F514 WeakPolarHBondContact O-CG 3.49Å; E510-F514 PolarHBondContact O-N 2.88Å
511	I	94.3	Very high	90.5	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-42.5	174	-59.5	164.1	0	0	0	110.5	A452 F453 F456 L506 R507 I513 F514 Q515	A452-I511 HydrophobicContact CB-CG2 3.97Å; F453-I511 HydrophobicContact CB-CD1 3.98Å; F453-I511 HydrophobicContact CD2-CG1 4.33Å; F456-I511 HydrophobicContact CB-CG2 4.23Å; L506-I511 HydrophobicContact CB-CD1 4.31Å; L506-I511 HydrophobicContact CB-CG1 4.12Å; R507-I511 PolarHBondContact O-N 2.69Å; I511-I513 VanDerWaalsContact C-N 3.34Å; I511-I513 PolarHBondContact O-N 3.21Å; I511-F514 PolarHBondContact O-N 2.93Å; I511-Q515 WeakPolarHBondContact O-CB 3.32Å; I511-Q515 PolarHBondContact O-N 3.43Å
512	A	94.7	Very high	91.7	Very high	58 Å²	58	38.4 Å²	38.4	48%	0.479	20%	0.204	S	C	.	.	H	α-helix	trans	-63.2	-38.6	176.8	0	0	0	0	0	112.4	R508 T509 E510 Q515 S516	R508-A512 WeakPolarHBondContact O-CB 3.18Å; R508-A512 PolarHBondContact O-N 3.31Å; T509-A512 PolarHBondContact O-N 3.48Å; E510-A512 VanDerWaalsContact C-N 3.27Å; E510-A512 PolarHBondContact O-N 2.89Å; A512-Q515 PolarHBondContact O-N 3.03Å; A512-S516 WeakPolarHBondContact O-CB 3.41Å; A512-S516 PolarHBondContact O-N 3.44Å
513	I	95.1	Very high	92.8	Very high	13 Å²	13	37.1 Å²	37.1	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-47.5	175.1	-67.5	159.8	0	0	0	110.1	K191 T509 E510 I511 Q515 S516 L517	K191-I513 HydrophobicContact CD-CD1 4.34Å; K191-I513 HydrophobicContact CG-CD1 3.68Å; T509-I513 WeakPolarHBondContact O-CD1 3.39Å; T509-I513 VanDerWaalsContact O-CG1 3.23Å; T509-I513 WeakPolarHBondContact O-CG1 3.4Å; T509-I513 PolarHBondContact O-N 2.72Å; E510-I513 PolarHBondContact O-N 3.28Å; E510-I513 VanDerWaalsContact O-N 3.11Å; I511-I513 VanDerWaalsContact C-N 3.34Å; I511-I513 PolarHBondContact O-N 3.21Å; I513-Q515 VanDerWaalsContact C-N 3.31Å; I513-Q515 PolarHBondContact O-N 2.85Å; I513-S516 WeakPolarHBondContact O-CB 3.47Å; I513-S516 PolarHBondContact O-N 3.11Å; I513-S516 VanDerWaalsContact O-N 3.07Å; I513-S516 PolarHBondContact O-OG 3.03Å; I513-L517 PolarHBondContact O-N 3.19Å; I513-L517 VanDerWaalsContact O-N 3.15Å
514	F	94.8	Very high	93.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-42.7	177.6	-57.5	-30.4	0	0	0	112.4	Y186 F431 F432 L435 F439 F456 L506 E510 I511 S516 L517	Y186-F514 HydrophobicContact CD2-CE1 4.26Å; Y186-F514 AromaticContact CD2-CZ 3.7Å; Y186-F514 HydrophobicContact CD2-CZ 3.7Å; Y186-F514 HydrophobicContact CE2-CZ 4.02Å; F431-F514 HydrophobicContact CE1-CD1 4.39Å; F431-F514 HydrophobicContact CZ-CE1 4.25Å; F432-F514 HydrophobicContact CE1-CB 4.08Å; F432-F514 HydrophobicContact CE1-CG 4.46Å; F432-F514 HydrophobicContact CZ-CB 4.45Å; L435-F514 HydrophobicContact CD1-CZ 4.21Å; L435-F514 HydrophobicContact CD2-CD1 4.15Å; L435-F514 HydrophobicContact CD2-CD2 4.27Å; L435-F514 HydrophobicContact CD2-CE1 3.88Å; L435-F514 HydrophobicContact CD2-CE2 4.01Å; L435-F514 HydrophobicContact CD2-CG 4.34Å; L435-F514 HydrophobicContact CD2-CZ 3.8Å; F439-F514 HydrophobicContact CZ-CE2 4.07Å; F439-F514 HydrophobicContact CZ-CZ 4.46Å; F456-F514 HydrophobicContact CD2-CB 3.92Å; F456-F514 HydrophobicContact CE1-CD2 4.49Å; F456-F514 HydrophobicContact CE2-CB 3.56Å; F456-F514 HydrophobicContact CZ-CB 3.88Å; F456-F514 HydrophobicContact CZ-CD2 4.49Å; F456-F514 HydrophobicContact CZ-CG 4.46Å; L506-F514 HydrophobicContact CD2-CE2 4.3Å; E510-F514 HydrophobicContact CB-CE2 4.4Å; E510-F514 HydrophobicContact CB-CZ 4.45Å; E510-F514 WeakPolarHBondContact O-CD2 3.31Å; E510-F514 VanDerWaalsContact O-CG 3.3Å; E510-F514 WeakPolarHBondContact O-CG 3.49Å; E510-F514 PolarHBondContact O-N 2.88Å; I511-F514 PolarHBondContact O-N 2.93Å; F514-S516 VanDerWaalsContact C-N 3.31Å; F514-S516 PolarHBondContact O-N 2.86Å; F514-L517 WeakPolarHBondContact O-CB 3.41Å; F514-L517 PolarHBondContact O-N 3.46Å
515	Q	94.5	Very high	93.5	Very high	22 Å²	22	37.3 Å²	37.3	10%	0.103	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-41.9	174.4	-176.6	58.1	59.9	0	0	111.4	N459 I511 A512 I513 L517 L518 D519	N459-Q515 VanDerWaalsContact ND2-CD 3.33Å; N459-Q515 PolarHBondContact ND2-NE2 2.89Å; N459-Q515 VanDerWaalsContact ND2-NE2 3.16Å; N459-Q515 PolarHBondContact ND2-OE1 3.29Å; I511-Q515 WeakPolarHBondContact O-CB 3.32Å; I511-Q515 PolarHBondContact O-N 3.43Å; A512-Q515 PolarHBondContact O-N 3.03Å; I513-Q515 VanDerWaalsContact C-N 3.31Å; I513-Q515 PolarHBondContact O-N 2.85Å; Q515-L517 VanDerWaalsContact C-N 3.26Å; Q515-L517 PolarHBondContact O-N 3.39Å; Q515-L518 WeakPolarHBondContact O-CB 3.5Å; Q515-L518 PolarHBondContact O-N 3.32Å; Q515-D519 PolarHBondContact NE2-OD1 3.33Å; Q515-D519 VanDerWaalsContact O-CG 3.28Å; Q515-D519 PolarHBondContact O-N 3.02Å
516	S	95.2	Very high	93.7	Very high	22 Å²	22	43.2 Å²	43.2	15%	0.154	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-30.5	179.6	75.2	0	0	0	0	113.4	R194 A512 I513 F514 L518 D519 W520	R194-S516 WeakPolarHBondContact CD-OG 3.44Å; R194-S516 WeakPolarHBondContact CG-OG 3.41Å; A512-S516 WeakPolarHBondContact O-CB 3.41Å; A512-S516 PolarHBondContact O-N 3.44Å; I513-S516 WeakPolarHBondContact O-CB 3.47Å; I513-S516 PolarHBondContact O-N 3.11Å; I513-S516 VanDerWaalsContact O-N 3.07Å; I513-S516 PolarHBondContact O-OG 3.03Å; F514-S516 VanDerWaalsContact C-N 3.31Å; F514-S516 PolarHBondContact O-N 2.86Å; S516-L518 VanDerWaalsContact C-N 3.32Å; S516-L518 PolarHBondContact O-N 3.34Å; S516-D519 PolarHBondContact O-N 3.44Å; S516-W520 PolarHBondContact O-N 3.23Å
517	L	94.4	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-42.4	173.1	-61.8	177	0	0	0	111.3	L193 R194 L197 F431 F432 I513 F514 Q515 N521	L193-L517 HydrophobicContact CB-CD2 4.02Å; L193-L517 HydrophobicContact CD2-CD1 4Å; L193-L517 HydrophobicContact CD2-CD2 4.12Å; L193-L517 HydrophobicContact CG-CD2 3.84Å; R194-L517 VanDerWaalsContact CA-CD2 3.42Å; R194-L517 HydrophobicContact CB-CD2 3.65Å; R194-L517 VanDerWaalsContact N-CD2 3.31Å; L197-L517 HydrophobicContact CD1-CB 4.4Å; L197-L517 HydrophobicContact CD1-CD2 3.88Å; F431-L517 HydrophobicContact CD1-CD1 4.03Å; F431-L517 HydrophobicContact CE1-CD1 3.72Å; F432-L517 HydrophobicContact CE1-CD1 4.44Å; F432-L517 HydrophobicContact CE2-CB 4.23Å; F432-L517 HydrophobicContact CE2-CD1 4.22Å; F432-L517 HydrophobicContact CZ-CB 4.03Å; F432-L517 HydrophobicContact CZ-CD1 3.74Å; F432-L517 HydrophobicContact CZ-CG 4.48Å; I513-L517 PolarHBondContact O-N 3.19Å; I513-L517 VanDerWaalsContact O-N 3.15Å; F514-L517 WeakPolarHBondContact O-CB 3.41Å; F514-L517 PolarHBondContact O-N 3.46Å; Q515-L517 VanDerWaalsContact C-N 3.26Å; Q515-L517 PolarHBondContact O-N 3.39Å; L517-N521 PolarHBondContact O-N 3.18Å; L517-N521 PolarHBondContact O-ND2 3.2Å
518	L	93.1	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-38.7	176.9	-54.9	-176.8	0	0	0	111.3	F432 F456 N459 L460 L464 Q515 S516 N521 K522	F432-L518 HydrophobicContact CD2-CD2 4.39Å; F432-L518 HydrophobicContact CE2-CD2 3.62Å; F432-L518 HydrophobicContact CE2-CG 4.42Å; F432-L518 HydrophobicContact CZ-CD2 4.07Å; F432-L518 HydrophobicContact CZ-CG 4.4Å; F456-L518 HydrophobicContact CD2-CD1 4.14Å; F456-L518 HydrophobicContact CE2-CD1 4.13Å; N459-L518 HydrophobicContact CB-CD1 3.9Å; L460-L518 HydrophobicContact CB-CD1 4.36Å; L460-L518 HydrophobicContact CD1-CD1 4.12Å; L460-L518 HydrophobicContact CD1-CD2 3.77Å; L464-L518 HydrophobicContact CD1-CD2 3.98Å; L464-L518 HydrophobicContact CG-CD2 4.16Å; Q515-L518 WeakPolarHBondContact O-CB 3.5Å; Q515-L518 PolarHBondContact O-N 3.32Å; S516-L518 VanDerWaalsContact C-N 3.32Å; S516-L518 PolarHBondContact O-N 3.34Å; L518-N521 PolarHBondContact O-N 3.39Å; L518-K522 WeakPolarHBondContact O-CG 3.4Å; L518-K522 PolarHBondContact O-N 3.11Å
519	D	94	Very high	93.6	Very high	78 Å²	78	37.3 Å²	37.3	42%	0.417	19%	0.19	S	C	.	.	H	α-helix	trans	-66.6	-39.7	-179.7	-61.9	-22.4	0	0	0	111.5	Q515 S516 K522 A523	Q515-D519 PolarHBondContact NE2-OD1 3.33Å; Q515-D519 VanDerWaalsContact O-CG 3.28Å; Q515-D519 PolarHBondContact O-N 3.02Å; S516-D519 PolarHBondContact O-N 3.44Å; D519-K522 WeakPolarHBondContact O-CB 3.48Å; D519-K522 PolarHBondContact O-N 2.95Å; D519-A523 WeakPolarHBondContact O-CB 3.3Å; D519-A523 PolarHBondContact O-N 3.43Å
520	W	95.3	Very high	93.6	Very high	46 Å²	46	38 Å²	38	17%	0.174	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-45.4	174.9	-79.8	117.5	0	0	0	112.6	L197 R198 F201 S516 K522 A523 H524	L197-W520 HydrophobicContact CB-CB 3.96Å; L197-W520 HydrophobicContact CB-CG 4.37Å; L197-W520 HydrophobicContact CD1-CB 4.25Å; R198-W520 HydrophobicContact CB-CD2 4.2Å; R198-W520 HydrophobicContact CB-CH2 4.23Å; R198-W520 HydrophobicContact CB-CZ2 3.79Å; R198-W520 HydrophobicContact CG-CH2 3.69Å; R198-W520 HydrophobicContact CG-CZ2 3.51Å; R198-W520 HydrophobicContact CG-CZ3 4.35Å; F201-W520 HydrophobicContact CB-CE3 4Å; F201-W520 HydrophobicContact CB-CZ3 3.97Å; F201-W520 HydrophobicContact CD1-CE3 4.37Å; F201-W520 AromaticContact CD1-CZ3 3.63Å; F201-W520 HydrophobicContact CD1-CZ3 3.63Å; F201-W520 HydrophobicContact CD2-CE3 4.5Å; F201-W520 HydrophobicContact CD2-CZ3 4.48Å; F201-W520 HydrophobicContact CE1-CZ3 4.25Å; F201-W520 HydrophobicContact CG-CE3 4.04Å; F201-W520 AromaticContact CG-CZ3 3.76Å; F201-W520 HydrophobicContact CG-CZ3 3.76Å; S516-W520 PolarHBondContact O-N 3.23Å; W520-K522 VanDerWaalsContact C-N 3.27Å; W520-K522 PolarHBondContact O-N 3.02Å; W520-A523 HydrophobicContact CE3-CB 4.25Å; W520-A523 WeakPolarHBondContact O-CB 3.33Å; W520-A523 PolarHBondContact O-N 2.91Å; W520-H524 PolarHBondContact O-CD2 3.14Å; W520-H524 PolarHBondContact O-N 3.36Å
521	N	92.1	Very high	93.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-43.7	173.7	-78.2	-65	0	0	0	111.3	L425 C428 L517 L518 A523 H524 M525	L425-N521 HydrophobicContact CD2-CB 3.94Å; C428-N521 PolarHBondContact SG-ND2 3Å; L517-N521 PolarHBondContact O-N 3.18Å; L517-N521 PolarHBondContact O-ND2 3.2Å; L518-N521 PolarHBondContact O-N 3.39Å; N521-A523 VanDerWaalsContact C-N 3.34Å; N521-A523 PolarHBondContact O-N 3.42Å; N521-H524 PolarHBondContact O-N 2.94Å; N521-M525 WeakPolarHBondContact O-CG 3.12Å; N521-M525 PolarHBondContact O-N 3.02Å
522	K	91.8	Very high	93.3	Very high	39 Å²	39	42.9 Å²	42.9	17%	0.17	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-38.5	174.1	-74.7	173.8	-176.9	170	0	112.6	S463 L518 D519 W520 M525 R526	S463-K522 WeakPolarHBondContact OG-CE 3.38Å; S463-K522 PolarHBondContact OG-NZ 3.19Å; S463-K522 VanDerWaalsContact OG-NZ 3.07Å; L518-K522 WeakPolarHBondContact O-CG 3.4Å; L518-K522 PolarHBondContact O-N 3.11Å; D519-K522 WeakPolarHBondContact O-CB 3.48Å; D519-K522 PolarHBondContact O-N 2.95Å; W520-K522 VanDerWaalsContact C-N 3.27Å; W520-K522 PolarHBondContact O-N 3.02Å; K522-M525 HydrophobicContact CG-CE 4.23Å; K522-R526 WeakPolarHBondContact O-CB 3.3Å; K522-R526 WeakPolarHBondContact O-CG 3.36Å; K522-R526 PolarHBondContact O-N 3.04Å
523	A	95.1	Very high	92.9	Very high	26 Å²	26	46.6 Å²	46.6	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-50.6	176.6	0	0	0	0	0	110.5	F201 D519 W520 N521 M525 R526 T527	F201-A523 HydrophobicContact CD2-CB 4.23Å; F201-A523 HydrophobicContact CE2-CB 3.91Å; F201-A523 HydrophobicContact CZ-CB 4.45Å; D519-A523 WeakPolarHBondContact O-CB 3.3Å; D519-A523 PolarHBondContact O-N 3.43Å; W520-A523 HydrophobicContact CE3-CB 4.25Å; W520-A523 WeakPolarHBondContact O-CB 3.33Å; W520-A523 PolarHBondContact O-N 2.91Å; N521-A523 VanDerWaalsContact C-N 3.34Å; N521-A523 PolarHBondContact O-N 3.42Å; A523-M525 PolarHBondContact O-N 3.42Å; A523-R526 PolarHBondContact O-N 3.42Å; A523-T527 WeakPolarHBondContact O-CB 3.49Å; A523-T527 PolarHBondContact O-N 3.15Å; A523-T527 PolarHBondContact O-OG1 3.02Å
524	H	95	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-54	-51.8	175.5	-75.6	-85.9	0	0	0	112.1	L197 F201 W417 I421 W520 N521 R526 T527 I528	L197-H524 PolarHBondContact O-NE2 2.91Å; L197-H524 VanDerWaalsContact O-NE2 3.11Å; F201-H524 WeakPolarHBondContact CA-CE1 3.34Å; F201-H524 VanDerWaalsContact CB-CE1 3.44Å; F201-H524 WeakPolarHBondContact CB-CE1 3.23Å; F201-H524 HydrophobicContact CD2-CB 4.45Å; F201-H524 AromaticContact CD2-CG 3.78Å; F201-H524 AromaticContact CD2-ND1 3.71Å; F201-H524 PolarHBondContact N-CE1 2.74Å; W417-H524 AromaticContact CE2-ND1 3.63Å; W417-H524 AromaticContact CZ2-ND1 3.75Å; W417-H524 AromaticContact NE1-CE1 3.99Å; W417-H524 AromaticContact NE1-CG 3.79Å; W417-H524 AromaticContact NE1-ND1 2.98Å; W417-H524 PolarHBondContact NE1-ND1 3Å; I421-H524 HydrophobicContact CD1-CB 3.92Å; I421-H524 HydrophobicContact CG1-CB 3.83Å; W520-H524 PolarHBondContact O-CD2 3.14Å; W520-H524 PolarHBondContact O-N 3.36Å; N521-H524 PolarHBondContact O-N 2.94Å; H524-R526 PolarHBondContact O-N 3.36Å; H524-T527 PolarHBondContact O-N 2.91Å; H524-I528 WeakPolarHBondContact O-CG2 3.49Å; H524-I528 PolarHBondContact O-N 2.75Å
525	M	91.8	Very high	91	Very high	54 Å²	54	55 Å²	55	27%	0.266	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-40.6	-178.6	-71.2	-174.1	-70.7	0	0	113.2	I421 L425 P468 N521 K522 A523 I528 K529	I421-M525 HydrophobicContact CG2-CG 3.85Å; L425-M525 HydrophobicContact CD1-SD 4.26Å; P468-M525 HydrophobicContact CG-SD 4Å; N521-M525 WeakPolarHBondContact O-CG 3.12Å; N521-M525 PolarHBondContact O-N 3.02Å; K522-M525 HydrophobicContact CG-CE 4.23Å; A523-M525 PolarHBondContact O-N 3.42Å; M525-I528 WeakPolarHBondContact O-CG2 3.34Å; M525-K529 VanDerWaalsContact O-CB 3.29Å; M525-K529 WeakPolarHBondContact O-CB 3.48Å; M525-K529 PolarHBondContact O-N 3.05Å
526	R	93	Very high	89.8	Confident	175 Å²	175	55.6 Å²	55.6	66%	0.66	26%	0.264	S	S	*	.	H	α-helix	trans	-68.4	-44	178.4	-73.2	171.9	-173.1	166.1	1	111.4	K522 A523 H524 K529 Q530	K522-R526 WeakPolarHBondContact O-CB 3.3Å; K522-R526 WeakPolarHBondContact O-CG 3.36Å; K522-R526 PolarHBondContact O-N 3.04Å; A523-R526 PolarHBondContact O-N 3.42Å; H524-R526 PolarHBondContact O-N 3.36Å; R526-K529 PolarHBondContact O-N 2.77Å; R526-Q530 PolarHBondContact O-N 3.04Å
527	T	95	Very high	88.3	Confident	22 Å²	22	56.8 Å²	56.8	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-68.8	-43.7	-176.8	-62.8	0	0	0	0	111.6	F201 W417 A523 H524 K529 Q530 Y531	F201-T527 HydrophobicContact CE2-CG2 4.3Å; F201-T527 HydrophobicContact CZ-CG2 4.34Å; W417-T527 HydrophobicContact CH2-CG2 3.62Å; W417-T527 HydrophobicContact CZ2-CG2 4.32Å; W417-T527 HydrophobicContact CZ3-CG2 4.36Å; A523-T527 WeakPolarHBondContact O-CB 3.49Å; A523-T527 PolarHBondContact O-N 3.15Å; A523-T527 PolarHBondContact O-OG1 3.02Å; H524-T527 PolarHBondContact O-N 2.91Å; T527-K529 VanDerWaalsContact C-N 3.33Å; T527-K529 PolarHBondContact O-N 2.72Å; T527-Q530 WeakPolarHBondContact O-CB 3.47Å; T527-Q530 PolarHBondContact O-N 3.03Å; T527-Y531 HydrophobicContact CG2-CD2 3.86Å; T527-Y531 HydrophobicContact CG2-CE2 3.36Å; T527-Y531 VanDerWaalsContact O-CD2 3.29Å; T527-Y531 WeakPolarHBondContact O-CD2 3.39Å; T527-Y531 PolarHBondContact O-N 3.42Å
528	I	90.7	Very high	86.5	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-41.6	176.8	-164.3	158.3	0	0	0	111.7	L414 W417 N418 I421 H524 M525 Q530 Y531 E532	L414-I528 HydrophobicContact CD2-CG1 4.43Å; W417-I528 HydrophobicContact CB-CD1 3.66Å; W417-I528 HydrophobicContact CD2-CB 4.48Å; W417-I528 HydrophobicContact CD2-CD1 4.05Å; W417-I528 HydrophobicContact CE3-CD1 4.49Å; W417-I528 HydrophobicContact CG-CD1 3.68Å; N418-I528 HydrophobicContact CB-CD1 4.14Å; N418-I528 VanDerWaalsContact OD1-CD1 3.23Å; N418-I528 WeakPolarHBondContact OD1-CD1 3.48Å; I421-I528 HydrophobicContact CD1-CB 4.14Å; I421-I528 HydrophobicContact CD1-CD1 4.01Å; I421-I528 HydrophobicContact CD1-CG2 3.61Å; H524-I528 WeakPolarHBondContact O-CG2 3.49Å; H524-I528 PolarHBondContact O-N 2.75Å; M525-I528 WeakPolarHBondContact O-CG2 3.34Å; I528-Q530 VanDerWaalsContact C-N 3.29Å; I528-Q530 PolarHBondContact O-N 3.17Å; I528-Y531 WeakPolarHBondContact O-CB 3.44Å; I528-Y531 PolarHBondContact O-N 3.2Å; I528-E532 WeakPolarHBondContact O-CG 3.35Å; I528-E532 PolarHBondContact O-N 2.92Å
529	K	90.3	Very high	84.7	Confident	123 Å²	123	66.6 Å²	66.6	54%	0.535	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-38.3	176.3	-175.9	174.5	-177	172.8	0	111.9	M525 R526 T527 Q533	M525-K529 VanDerWaalsContact O-CB 3.29Å; M525-K529 WeakPolarHBondContact O-CB 3.48Å; M525-K529 PolarHBondContact O-N 3.05Å; R526-K529 PolarHBondContact O-N 2.77Å; T527-K529 VanDerWaalsContact C-N 3.33Å; T527-K529 PolarHBondContact O-N 2.72Å; K529-Q533 WeakPolarHBondContact O-CB 3.48Å; K529-Q533 WeakPolarHBondContact O-CG 3.44Å; K529-Q533 PolarHBondContact O-N 2.92Å; K529-Q533 VanDerWaalsContact O-N 3.07Å
530	Q	92.6	Very high	83.1	Confident	103 Å²	103	67.3 Å²	67.3	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-47	172.9	-178.6	-175.6	-19.9	0	0	110.7	R526 T527 I528 E532 Q533 E534	R526-Q530 PolarHBondContact O-N 3.04Å; T527-Q530 WeakPolarHBondContact O-CB 3.47Å; T527-Q530 PolarHBondContact O-N 3.03Å; I528-Q530 VanDerWaalsContact C-N 3.29Å; I528-Q530 PolarHBondContact O-N 3.17Å; Q530-E532 VanDerWaalsContact C-N 3.34Å; Q530-E532 PolarHBondContact O-N 2.67Å; Q530-Q533 PolarHBondContact O-N 3.01Å; Q530-Q533 VanDerWaalsContact O-N 3.11Å; Q530-E534 PolarHBondContact NE2-OE1 3.18Å; Q530-E534 WeakPolarHBondContact O-CG 3.38Å; Q530-E534 PolarHBondContact O-N 2.56Å; Q530-E534 VanDerWaalsContact O-N 3.07Å
531	Y	92.4	Very high	81.3	Confident	14 Å²	14	68.2 Å²	68.2	6%	0.055	33%	0.333	C	S	.	.	H	α-helix	trans	-64.6	-34.9	179.5	-70.1	-42.6	0	0	0	114.1	N205 V208 N209 K212 Y410 W417 T527 I528 Q533	N205-Y531 PolarHBondContact OD1-OH 2.97Å; V208-Y531 HydrophobicContact CB-CD2 4.27Å; V208-Y531 HydrophobicContact CB-CE2 3.99Å; V208-Y531 HydrophobicContact CG1-CD1 3.91Å; V208-Y531 HydrophobicContact CG1-CD2 3.61Å; V208-Y531 HydrophobicContact CG1-CE1 3.92Å; V208-Y531 HydrophobicContact CG1-CE2 3.6Å; V208-Y531 HydrophobicContact CG1-CG 3.76Å; V208-Y531 HydrophobicContact CG2-CD2 4.36Å; V208-Y531 HydrophobicContact CG2-CE2 4.42Å; N209-Y531 VanDerWaalsContact CG-OH 3.31Å; N209-Y531 PolarHBondContact ND2-OH 3.02Å; N209-Y531 VanDerWaalsContact ND2-OH 3.08Å; N209-Y531 PolarHBondContact OD1-OH 3.36Å; K212-Y531 HydrophobicContact CD-CD1 4.4Å; K212-Y531 HydrophobicContact CD-CE1 4.24Å; Y410-Y531 PolarHBondContact OH-O 2.92Å; W417-Y531 HydrophobicContact CH2-CD2 4.39Å; W417-Y531 HydrophobicContact CH2-CE2 4.03Å; W417-Y531 AromaticContact CZ3-CD2 3.79Å; W417-Y531 HydrophobicContact CZ3-CD2 3.79Å; W417-Y531 AromaticContact CZ3-CE2 3.64Å; W417-Y531 HydrophobicContact CZ3-CE2 3.64Å; T527-Y531 HydrophobicContact CG2-CD2 3.86Å; T527-Y531 HydrophobicContact CG2-CE2 3.36Å; T527-Y531 VanDerWaalsContact O-CD2 3.29Å; T527-Y531 WeakPolarHBondContact O-CD2 3.39Å; T527-Y531 PolarHBondContact O-N 3.42Å; I528-Y531 WeakPolarHBondContact O-CB 3.44Å; I528-Y531 PolarHBondContact O-N 3.2Å; Y531-Q533 VanDerWaalsContact C-N 3.32Å
532	E	87.5	Confident	79.6	Confident	98 Å²	98	72 Å²	72	46%	0.458	36%	0.359	S	S	.	.	H	α-helix	trans	-68.1	-33.5	172.8	-69.4	172.3	159.1	0	0	111.9	L414 N418 I528 Q530	L414-E532 HydrophobicContact CD1-CG 4.22Å; N418-E532 PolarHBondContact ND2-OE1 3.33Å; I528-E532 WeakPolarHBondContact O-CG 3.35Å; I528-E532 PolarHBondContact O-N 2.92Å; Q530-E532 VanDerWaalsContact C-N 3.34Å; Q530-E532 PolarHBondContact O-N 2.67Å
533	Q	86.8	Confident	78	Confident	137 Å²	137	75.6 Å²	75.6	64%	0.64	38%	0.377	S	S	*	.	H	α-helix	trans	-77.9	-22.5	179.3	-74.5	175.3	-8.5	0	0	114.3	K529 Q530 Y531 N535	K529-Q533 WeakPolarHBondContact O-CB 3.48Å; K529-Q533 WeakPolarHBondContact O-CG 3.44Å; K529-Q533 PolarHBondContact O-N 2.92Å; K529-Q533 VanDerWaalsContact O-N 3.07Å; Q530-Q533 PolarHBondContact O-N 3.01Å; Q530-Q533 VanDerWaalsContact O-N 3.11Å; Y531-Q533 VanDerWaalsContact C-N 3.32Å; Q533-N535 PolarHBondContact O-N 3.49Å
534	E	82.4	Confident	76.4	Confident	70 Å²	70	79.1 Å²	79.1	33%	0.327	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-3.8	-177.4	-79.5	174.5	-176.7	0	0	114.1	K212 Q530 I536	K212-E534 WeakPolarHBondContact CE-OE2 3.43Å; K212-E534 IonicContact NZ-OE1 2.64Å; K212-E534 IonicContact NZ-OE2 3.52Å; K212-E534 PolarHBondContact NZ-OE2 3.47Å; Q530-E534 PolarHBondContact NE2-OE1 3.18Å; Q530-E534 WeakPolarHBondContact O-CG 3.38Å; Q530-E534 PolarHBondContact O-N 2.56Å; Q530-E534 VanDerWaalsContact O-N 3.07Å; E534-I536 HydrophobicContact CB-CD1 3.85Å; E534-I536 HydrophobicContact CB-CG1 3.95Å; E534-I536 PolarHBondContact O-N 3.45Å
535	N	67.3	Low	74.7	Confident	119 Å²	119	80.4 Å²	80.4	64%	0.636	39%	0.394	S	S	*	.			trans	43	42.8	174.8	-160.3	25.9	0	0	0	113.8	Q533 I537	Q533-N535 PolarHBondContact O-N 3.49Å; N535-I537 PolarHBondContact O-N 2.66Å; N535-I537 PolarHBondContact OD1-O 3.22Å
536	I	69.5	Low	73.5	Confident	35 Å²	35	81.3 Å²	81.3	18%	0.179	40%	0.402	C	S	.	.			trans	-68	-28.1	-177.8	-64.7	154.9	0	0	0	110.6	K212 I215 Y410 E534 P538	K212-I536 HydrophobicContact CD-CD1 3.92Å; K212-I536 HydrophobicContact CG-CD1 3.98Å; I215-I536 HydrophobicContact CD1-CG2 3.68Å; I215-I536 HydrophobicContact CG2-CG2 4.01Å; Y410-I536 HydrophobicContact CE1-CD1 4.45Å; Y410-I536 HydrophobicContact CE2-CD1 4.05Å; Y410-I536 WeakPolarHBondContact OH-CD1 3.46Å; E534-I536 HydrophobicContact CB-CD1 3.85Å; E534-I536 HydrophobicContact CB-CG1 3.95Å; E534-I536 PolarHBondContact O-N 3.45Å; I536-P538 WeakPolarHBondContact O-CD 3.49Å
537	I	63.6	Low	72.4	Confident	47 Å²	47	76.1 Å²	76.1	24%	0.241	39%	0.388	C	S	.	.	S	Bend	trans	-79.9	115	179.8	-57.9	155.3	0	0	0	108.4	I407 Y410 K411 N535 L539	I407-I537 HydrophobicContact CG2-CG1 4.25Å; I407-I537 HydrophobicContact CG2-CG2 4.07Å; Y410-I537 HydrophobicContact CD1-CD1 4.28Å; Y410-I537 HydrophobicContact CD1-CG1 4.36Å; Y410-I537 HydrophobicContact CE1-CD1 4.42Å; K411-I537 HydrophobicContact CD-CD1 4.25Å; K411-I537 VanDerWaalsContact CE-CD1 3.41Å; K411-I537 HydrophobicContact CG-CD1 3.78Å; N535-I537 PolarHBondContact O-N 2.66Å; N535-I537 PolarHBondContact OD1-O 3.22Å; I537-L539 PolarHBondContact O-N 3.43Å
538	P	57.8	Low	71	Confident	27 Å²	27	76.2 Å²	76.2	18%	0.175	39%	0.387	C	S	.	.			trans	-61.3	136.8	177.3	-18.2	31	0	0	0	111.1	I536 D540 L541 K544	I536-P538 WeakPolarHBondContact O-CD 3.49Å; P538-D540 VanDerWaalsContact C-N 3.27Å; P538-D540 PolarHBondContact O-N 2.95Å; P538-L541 HydrophobicContact CG-CD2 4.31Å; P538-K544 HydrophobicContact CB-CD 3.98Å; P538-K544 HydrophobicContact CG-CD 4.02Å
539	L	55.4	Low	69.9	Low	178 Å²	178	78.3 Å²	78.3	93%	0.932	40%	0.397	S	S	*	.	S	Bend	trans	-65.5	-34.7	174.1	-149.3	87	0	0	0	111.4	I537	I537-L539 PolarHBondContact O-N 3.43Å
540	D	59.1	Low	69.2	Low	94 Å²	94	76.8 Å²	76.8	50%	0.503	39%	0.392	S	S	.	.			trans	-131.6	103.4	176.5	-172.2	-4.3	0	0	0	110.2	P538 S542	P538-D540 VanDerWaalsContact C-N 3.27Å; P538-D540 PolarHBondContact O-N 2.95Å; D540-S542 VanDerWaalsContact C-N 3.27Å; D540-S542 PolarHBondContact O-N 3.2Å; D540-S542 PolarHBondContact OD1-N 3.18Å
541	L	57.7	Low	68.2	Low	65 Å²	65	77.1 Å²	77.1	34%	0.34	39%	0.393	S	S	.	.	H	α-helix	trans	-66.9	-27.7	178.4	-80.4	147.1	0	0	0	112.2	I407 P538 L545	I407-L541 HydrophobicContact CD1-CD2 3.67Å; P538-L541 HydrophobicContact CG-CD2 4.31Å; L541-L545 VanDerWaalsContact O-CB 3.25Å; L541-L545 WeakPolarHBondContact O-CB 3.42Å; L541-L545 PolarHBondContact O-N 3.44Å; L541-L545 VanDerWaalsContact O-N 3.11Å
542	S	56.3	Low	67	Low	81 Å²	81	77 Å²	77	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-79.2	-40.4	-172.3	-169.4	0	0	0	0	113	D540 L545 T546	D540-S542 VanDerWaalsContact C-N 3.27Å; D540-S542 PolarHBondContact O-N 3.2Å; D540-S542 PolarHBondContact OD1-N 3.18Å; S542-L545 WeakPolarHBondContact O-CB 3.38Å; S542-L545 PolarHBondContact O-N 3.46Å; S542-T546 PolarHBondContact O-N 3.03Å
543	Q	58.1	Low	66.3	Low	114 Å²	114	73 Å²	73	53%	0.533	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-44.1	177.9	-176.1	59.6	46.7	0	0	111	L545 T546 D547	Q543-L545 PolarHBondContact O-N 2.98Å; Q543-T546 PolarHBondContact O-N 3.02Å; Q543-D547 PolarHBondContact O-N 2.83Å
544	K	62.7	Low	65.3	Low	99 Å²	99	70.6 Å²	70.6	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-66.2	-25.3	178.1	-149.2	172.5	-172.8	176.4	0	112.3	P538 L548	P538-K544 HydrophobicContact CB-CD 3.98Å; P538-K544 HydrophobicContact CG-CD 4.02Å; K544-L548 WeakPolarHBondContact O-CB 2.83Å; K544-L548 VanDerWaalsContact O-CG 3.25Å; K544-L548 WeakPolarHBondContact O-CG 3.45Å; K544-L548 PolarHBondContact O-N 3.3Å
545	L	58.5	Low	64.1	Low	28 Å²	28	73.8 Å²	73.8	15%	0.147	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-51.2	172.3	169.4	59.7	0	0	0	111.5	P398 M400 L541 S542 Q543 D547 L548 Q549	P398-L545 HydrophobicContact CG-CD1 3.61Å; M400-L545 HydrophobicContact CE-CB 4.49Å; M400-L545 HydrophobicContact CE-CD1 4.39Å; M400-L545 HydrophobicContact CE-CD2 3.93Å; M400-L545 HydrophobicContact CE-CG 4.49Å; M400-L545 HydrophobicContact CG-CD1 4.19Å; M400-L545 HydrophobicContact CG-CD2 4.15Å; M400-L545 HydrophobicContact SD-CB 4.27Å; M400-L545 HydrophobicContact SD-CD1 3.2Å; M400-L545 WeakPolarHBondContact SD-CD1 3.27Å; M400-L545 HydrophobicContact SD-CD2 3.6Å; M400-L545 VanDerWaalsContact SD-CD2 3.6Å; M400-L545 HydrophobicContact SD-CG 3.85Å; L541-L545 VanDerWaalsContact O-CB 3.25Å; L541-L545 WeakPolarHBondContact O-CB 3.42Å; L541-L545 PolarHBondContact O-N 3.44Å; L541-L545 VanDerWaalsContact O-N 3.11Å; S542-L545 WeakPolarHBondContact O-CB 3.38Å; S542-L545 PolarHBondContact O-N 3.46Å; Q543-L545 PolarHBondContact O-N 2.98Å; L545-D547 PolarHBondContact O-N 3.37Å; L545-L548 PolarHBondContact O-N 3.27Å; L545-Q549 HydrophobicContact CD1-CG 3.89Å; L545-Q549 WeakPolarHBondContact O-CB 3.43Å; L545-Q549 WeakPolarHBondContact O-CG 3.44Å; L545-Q549 PolarHBondContact O-N 3.37Å
546	T	66.6	Low	64	Low	72 Å²	72	69.3 Å²	69.3	44%	0.442	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-43.9	178.3	-51.1	0	0	0	0	110.1	S542 Q543 L548 Q549 E550	S542-T546 PolarHBondContact O-N 3.03Å; Q543-T546 PolarHBondContact O-N 3.02Å; T546-L548 PolarHBondContact O-N 3.26Å; T546-Q549 PolarHBondContact O-N 2.91Å; T546-E550 VanDerWaalsContact O-CB 3.24Å; T546-E550 WeakPolarHBondContact O-CB 3.29Å; T546-E550 PolarHBondContact O-N 3.2Å
547	D	70.4	Confident	63.5	Low	66 Å²	66	70.7 Å²	70.7	35%	0.353	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-42.1	178.2	-56.5	-14	0	0	0	112.2	Q543 L545 E550 Q551	Q543-D547 PolarHBondContact O-N 2.83Å; L545-D547 PolarHBondContact O-N 3.37Å; D547-E550 PolarHBondContact O-N 3.46Å; D547-Q551 WeakPolarHBondContact O-CB 3.21Å; D547-Q551 VanDerWaalsContact O-CG 3.22Å; D547-Q551 WeakPolarHBondContact O-CG 3.26Å; D547-Q551 PolarHBondContact O-N 2.88Å
548	L	65.5	Low	62.9	Low	25 Å²	25	72.4 Å²	72.4	13%	0.131	38%	0.375	C	S	.	.	H	α-helix	trans	-70.8	-38.1	178.4	-76.2	174.6	0	0	0	112.3	K219 P398 K544 L545 T546 E550 Q551 S552	K219-L548 HydrophobicContact CG-CD1 4.26Å; P398-L548 HydrophobicContact CG-CB 4.16Å; P398-L548 HydrophobicContact CG-CD1 4.34Å; K544-L548 WeakPolarHBondContact O-CB 2.83Å; K544-L548 VanDerWaalsContact O-CG 3.25Å; K544-L548 WeakPolarHBondContact O-CG 3.45Å; K544-L548 PolarHBondContact O-N 3.3Å; L545-L548 PolarHBondContact O-N 3.27Å; T546-L548 PolarHBondContact O-N 3.26Å; L548-E550 VanDerWaalsContact C-N 3.34Å; L548-Q551 PolarHBondContact O-N 2.85Å; L548-S552 WeakPolarHBondContact O-CB 3.28Å; L548-S552 PolarHBondContact O-N 3.21Å
549	Q	67.7	Low	62.6	Low	49 Å²	49	75.3 Å²	75.3	23%	0.229	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-46	171.8	-75.1	-179.4	-13.8	0	0	109.8	S397 L545 T546 Q551 S552 F553	S397-Q549 WeakPolarHBondContact O-CA 3.35Å; S397-Q549 WeakPolarHBondContact O-CG 3.22Å; L545-Q549 HydrophobicContact CD1-CG 3.89Å; L545-Q549 WeakPolarHBondContact O-CB 3.43Å; L545-Q549 WeakPolarHBondContact O-CG 3.44Å; L545-Q549 PolarHBondContact O-N 3.37Å; T546-Q549 PolarHBondContact O-N 2.91Å; Q549-Q551 VanDerWaalsContact C-N 3.34Å; Q549-Q551 PolarHBondContact O-N 2.91Å; Q549-S552 WeakPolarHBondContact O-CA 3.46Å; Q549-S552 VanDerWaalsContact O-CB 3.28Å; Q549-S552 WeakPolarHBondContact O-CB 3.48Å; Q549-S552 PolarHBondContact O-N 2.62Å; Q549-S552 VanDerWaalsContact O-N 3.11Å; Q549-F553 VanDerWaalsContact C-CD2 3.47Å; Q549-F553 HydrophobicContact CB-CD2 4.42Å; Q549-F553 HydrophobicContact CB-CE2 4.17Å; Q549-F553 WeakPolarHBondContact O-CD2 3.4Å; Q549-F553 WeakPolarHBondContact O-CG 3.37Å; Q549-F553 PolarHBondContact O-N 3.16Å
550	E	76.1	Confident	62.3	Low	92 Å²	92	68.6 Å²	68.6	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-41.9	176.9	-168.9	156.8	-150	0	0	112.4	T546 D547 L548 F553 H554	T546-E550 VanDerWaalsContact O-CB 3.24Å; T546-E550 WeakPolarHBondContact O-CB 3.29Å; T546-E550 PolarHBondContact O-N 3.2Å; D547-E550 PolarHBondContact O-N 3.46Å; L548-E550 VanDerWaalsContact C-N 3.34Å; E550-F553 WeakPolarHBondContact O-CB 3.26Å; E550-F553 PolarHBondContact O-N 3.02Å; E550-H554 PolarHBondContact O-CD2 3.37Å; E550-H554 PolarHBondContact O-N 3.3Å
551	Q	69.9	Low	61.6	Low	110 Å²	110	71.3 Å²	71.3	51%	0.514	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-42.8	170.9	-73.5	170.4	23	0	0	112.5	D547 L548 Q549 F553 H554 M555	D547-Q551 WeakPolarHBondContact O-CB 3.21Å; D547-Q551 VanDerWaalsContact O-CG 3.22Å; D547-Q551 WeakPolarHBondContact O-CG 3.26Å; D547-Q551 PolarHBondContact O-N 2.88Å; L548-Q551 PolarHBondContact O-N 2.85Å; Q549-Q551 VanDerWaalsContact C-N 3.34Å; Q549-Q551 PolarHBondContact O-N 2.91Å; Q551-F553 VanDerWaalsContact C-N 3.29Å; Q551-F553 PolarHBondContact O-N 3.39Å; Q551-H554 PolarHBondContact O-N 3.34Å; Q551-M555 WeakPolarHBondContact O-CB 3.33Å; Q551-M555 WeakPolarHBondContact O-CG 3.29Å; Q551-M555 PolarHBondContact O-N 3.01Å
552	S	68.2	Low	60.6	Low	12 Å²	12	73.5 Å²	73.5	8%	0.084	39%	0.388	C	S	.	.	H	α-helix	trans	-58.5	-43.6	175.1	-170.2	0	0	0	0	111	S397 L548 Q549 M556	S397-S552 PolarHBondContact N-OG 3Å; S397-S552 WeakPolarHBondContact O-CB 3.44Å; S397-S552 VanDerWaalsContact OG-CB 3.27Å; S397-S552 WeakPolarHBondContact OG-CB 3.47Å; S397-S552 PolarHBondContact OG-OG 3.39Å; L548-S552 WeakPolarHBondContact O-CB 3.28Å; L548-S552 PolarHBondContact O-N 3.21Å; Q549-S552 WeakPolarHBondContact O-CA 3.46Å; Q549-S552 VanDerWaalsContact O-CB 3.28Å; Q549-S552 WeakPolarHBondContact O-CB 3.48Å; Q549-S552 PolarHBondContact O-N 2.62Å; Q549-S552 VanDerWaalsContact O-N 3.11Å; S552-M556 PolarHBondContact O-N 3.03Å; S552-M556 VanDerWaalsContact O-N 3.1Å
553	F	73.2	Confident	59.7	Low	13 Å²	13	77.2 Å²	77.2	6%	0.057	39%	0.394	C	S	.	.	H	α-helix	trans	-62.6	-46.5	174.7	-71.9	-70.9	0	0	0	112.2	N236 V238 R255 P396 Q549 E550 Q551 M556 E557	N236-F553 HydrophobicContact CB-CZ 3.82Å; V238-F553 HydrophobicContact CG2-CD1 3.26Å; V238-F553 HydrophobicContact CG2-CE1 3.35Å; R255-F553 HydrophobicContact CG-CD1 4.07Å; R255-F553 HydrophobicContact CG-CE1 4.31Å; R255-F553 VanDerWaalsContact CZ-CG 3.46Å; R255-F553 VanDerWaalsContact NH1-CB 3.28Å; P396-F553 HydrophobicContact CB-CD1 4.47Å; P396-F553 HydrophobicContact CB-CE1 4.13Å; P396-F553 HydrophobicContact CB-CE2 4.32Å; P396-F553 HydrophobicContact CB-CZ 4.04Å; P396-F553 HydrophobicContact CG-CE1 3.93Å; P396-F553 HydrophobicContact CG-CE2 4.07Å; P396-F553 HydrophobicContact CG-CZ 3.54Å; Q549-F553 VanDerWaalsContact C-CD2 3.47Å; Q549-F553 HydrophobicContact CB-CD2 4.42Å; Q549-F553 HydrophobicContact CB-CE2 4.17Å; Q549-F553 WeakPolarHBondContact O-CD2 3.4Å; Q549-F553 WeakPolarHBondContact O-CG 3.37Å; Q549-F553 PolarHBondContact O-N 3.16Å; E550-F553 WeakPolarHBondContact O-CB 3.26Å; E550-F553 PolarHBondContact O-N 3.02Å; Q551-F553 VanDerWaalsContact C-N 3.29Å; Q551-F553 PolarHBondContact O-N 3.39Å; F553-M556 PolarHBondContact O-N 2.91Å; F553-M556 VanDerWaalsContact O-N 3.17Å; F553-E557 PolarHBondContact O-N 2.73Å
554	H	64.2	Low	58.8	Low	87 Å²	87	80.4 Å²	80.4	40%	0.403	41%	0.413	S	S	.	.	H	α-helix	trans	-65	-38.4	178.7	-74.1	-49.8	0	0	0	113.5	E550 Q551 M556 E557 T558	E550-H554 PolarHBondContact O-CD2 3.37Å; E550-H554 PolarHBondContact O-N 3.3Å; Q551-H554 PolarHBondContact O-N 3.34Å; H554-M556 VanDerWaalsContact C-N 3.27Å; H554-M556 PolarHBondContact O-N 3.47Å; H554-E557 IonicContact CE1-OE2 2.71Å; H554-E557 IonicContact ND1-OE2 3.53Å; H554-E557 PolarHBondContact ND1-OE2 3.48Å; H554-E557 VanDerWaalsContact ND1-OE2 3.1Å; H554-E557 PolarHBondContact O-N 3.37Å; H554-T558 PolarHBondContact O-N 2.9Å; H554-T558 VanDerWaalsContact O-N 3.1Å; H554-T558 PolarHBondContact O-OG1 2.72Å
555	M	58.5	Low	58.6	Low	136 Å²	136	79.5 Å²	79.5	67%	0.67	41%	0.412	S	S	*	.	H	α-helix	trans	-60.1	-41.3	172.7	-78.2	-178.1	61	0	0	110.7	Q551 T558 V559	Q551-M555 WeakPolarHBondContact O-CB 3.33Å; Q551-M555 WeakPolarHBondContact O-CG 3.29Å; Q551-M555 PolarHBondContact O-N 3.01Å; M555-T558 WeakPolarHBondContact O-CB 3.38Å; M555-T558 PolarHBondContact O-N 3.13Å; M555-V559 WeakPolarHBondContact O-CG2 3.38Å; M555-V559 PolarHBondContact O-N 2.64Å
556	M	65.3	Low	58.6	Low	26 Å²	26	82.2 Å²	82.2	13%	0.128	43%	0.426	C	S	.	.	H	α-helix	trans	-69.6	-41.5	179.1	-166	61.6	73.7	0	0	112.5	V238 L240 W394 S552 F553 H554 T558 V559 T560	V238-M556 HydrophobicContact CG1-CG 4.42Å; L240-M556 HydrophobicContact CD2-SD 4.36Å; W394-M556 HydrophobicContact CD2-CE 3.75Å; W394-M556 HydrophobicContact CE3-CE 4.07Å; W394-M556 HydrophobicContact CG-CE 4.22Å; W394-M556 HydrophobicContact CH2-CE 4.01Å; W394-M556 HydrophobicContact CZ2-CE 3.73Å; W394-M556 HydrophobicContact CZ3-CE 4.13Å; S552-M556 PolarHBondContact O-N 3.03Å; S552-M556 VanDerWaalsContact O-N 3.1Å; F553-M556 PolarHBondContact O-N 2.91Å; F553-M556 VanDerWaalsContact O-N 3.17Å; H554-M556 VanDerWaalsContact C-N 3.27Å; H554-M556 PolarHBondContact O-N 3.47Å; M556-T558 PolarHBondContact O-N 3.18Å; M556-V559 PolarHBondContact O-N 3.24Å; M556-V559 VanDerWaalsContact O-N 3.13Å; M556-V559 HydrophobicContact SD-CB 4.41Å; M556-T560 PolarHBondContact O-N 3.28Å; M556-T560 PolarHBondContact O-OG1 3.04Å
557	E	58.2	Low	58.2	Low	64 Å²	64	82.8 Å²	82.8	30%	0.299	43%	0.425	S	S	.	.	H	α-helix	trans	-53	-39.4	171.6	-75.2	165.1	-168.5	0	0	110.6	R255 F553 H554 T560 L561	R255-E557 IonicContact CZ-OE1 3.9Å; R255-E557 IonicContact NE-OE1 3.81Å; R255-E557 PolarHBondContact NE-OE1 3.16Å; R255-E557 VanDerWaalsContact NE-OE1 3.13Å; R255-E557 IonicContact NH2-OE1 3.34Å; R255-E557 PolarHBondContact NH2-OE1 3.41Å; F553-E557 PolarHBondContact O-N 2.73Å; H554-E557 IonicContact CE1-OE2 2.71Å; H554-E557 IonicContact ND1-OE2 3.53Å; H554-E557 PolarHBondContact ND1-OE2 3.48Å; H554-E557 VanDerWaalsContact ND1-OE2 3.1Å; H554-E557 PolarHBondContact O-N 3.37Å; E557-T560 WeakPolarHBondContact CA-OG1 3.15Å; E557-T560 PolarHBondContact O-OG1 3.32Å; E557-L561 WeakPolarHBondContact O-CD1 3.21Å; E557-L561 VanDerWaalsContact O-CG 3.29Å; E557-L561 WeakPolarHBondContact O-CG 3.44Å; E557-L561 PolarHBondContact O-N 2.79Å
558	T	51.9	Low	57.5	Low	82 Å²	82	83.8 Å²	83.8	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-71.2	-43.1	177.8	-47.4	0	0	0	0	112.5	H554 M555 M556 T560 L561 V562	H554-T558 PolarHBondContact O-N 2.9Å; H554-T558 VanDerWaalsContact O-N 3.1Å; H554-T558 PolarHBondContact O-OG1 2.72Å; M555-T558 WeakPolarHBondContact O-CB 3.38Å; M555-T558 PolarHBondContact O-N 3.13Å; M556-T558 PolarHBondContact O-N 3.18Å; T558-T560 VanDerWaalsContact C-N 3.32Å; T558-T560 PolarHBondContact O-N 3.15Å; T558-L561 PolarHBondContact O-N 2.63Å; T558-L561 VanDerWaalsContact O-N 3.16Å; T558-V562 WeakPolarHBondContact O-CG2 3.31Å; T558-V562 PolarHBondContact O-N 3.13Å; T558-V562 VanDerWaalsContact O-N 3.13Å
559	V	50.4	Low	57	Low	88 Å²	88	87.4 Å²	87.4	53%	0.533	45%	0.448	S	S	.	.	H	α-helix	trans	-63.6	-40.1	177.3	173	0	0	0	0	110.9	M555 M556 L561 V562 K563	M555-V559 WeakPolarHBondContact O-CG2 3.38Å; M555-V559 PolarHBondContact O-N 2.64Å; M556-V559 PolarHBondContact O-N 3.24Å; M556-V559 VanDerWaalsContact O-N 3.13Å; M556-V559 HydrophobicContact SD-CB 4.41Å; V559-L561 VanDerWaalsContact C-N 3.26Å; V559-L561 PolarHBondContact O-N 3.4Å; V559-V562 PolarHBondContact O-N 2.87Å; V559-K563 PolarHBondContact O-N 3.19Å
560	T	50.8	Low	56.2	Low	38 Å²	38	90 Å²	90	23%	0.233	46%	0.463	C	S	.	.	H	α-helix	trans	-66.6	-26.1	175.6	50.2	0	0	0	0	113.3	M556 E557 T558	M556-T560 PolarHBondContact O-N 3.28Å; M556-T560 PolarHBondContact O-OG1 3.04Å; E557-T560 WeakPolarHBondContact CA-OG1 3.15Å; E557-T560 PolarHBondContact O-OG1 3.32Å; T558-T560 VanDerWaalsContact C-N 3.32Å; T558-T560 PolarHBondContact O-N 3.15Å
561	L	44.4	Very low	54.8	Low	150 Å²	150	89.9 Å²	89.9	79%	0.785	47%	0.465	S	S	*	.	H	α-helix	trans	-81	-23.9	175.4	-76.3	165.3	0	0	0	113.3	E557 T558 V559	E557-L561 WeakPolarHBondContact O-CD1 3.21Å; E557-L561 VanDerWaalsContact O-CG 3.29Å; E557-L561 WeakPolarHBondContact O-CG 3.44Å; E557-L561 PolarHBondContact O-N 2.79Å; T558-L561 PolarHBondContact O-N 2.63Å; T558-L561 VanDerWaalsContact O-N 3.16Å; V559-L561 VanDerWaalsContact C-N 3.26Å; V559-L561 PolarHBondContact O-N 3.4Å
562	V	35.2	Very low	53.7	Low	112 Å²	112	88.3 Å²	88.3	68%	0.679	46%	0.461	S	S	*	.	H	α-helix	trans	-93.8	-12.8	-175.2	177.9	0	0	0	0	112.5	T558 V559	T558-V562 WeakPolarHBondContact O-CG2 3.31Å; T558-V562 PolarHBondContact O-N 3.13Å; T558-V562 VanDerWaalsContact O-N 3.13Å; V559-V562 PolarHBondContact O-N 2.87Å
563	K	38.6	Very low	52.4	Low	159 Å²	159	94.7 Å²	94.7	69%	0.691	49%	0.493	S	S	*	.			trans	-144.8	103	178.1	-67.8	-173.7	177.4	-174.6	0	111.8	V559	V559-K563 PolarHBondContact O-N 3.19Å
564	I	38.6	Very low	50.6	Low	181 Å²	181	102.1 Å²	102.1	93%	0.928	53%	0.532	S	S	*	.			trans	178.2	0	140	-87.2	151.3	0	0	0	108.4

Retrieved 564 of 564 residues in 212.9 ms (Link to these results)

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