A0A077YYL5_TRITR Loading...

Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB , UniProt , Accession A0A077YYL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 412 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	45.1	Very low	245 Å²	245	153.1 Å²	153.1	100%	1.207	79%	0.785	S	S	*	*				0	112	0	-73.3	177.2	179.2	0	0	107.6	R3	M1-R3 PolarHBondContact O-N 3.33Å
2	A	39.1	Very low	46.7	Very low	107 Å²	107	146.7 Å²	146.7	88%	0.884	76%	0.763	S	S	*	*			trans	-65.5	117.3	-166.2	0	0	0	0	0	113
3	R	37.4	Very low	48.1	Very low	248 Å²	248	145.9 Å²	145.9	94%	0.936	75%	0.75	S	S	*	*			trans	-138.7	54.8	165	-91.3	-170.1	172.4	-178.2	-1.1	109.7	M1	M1-R3 PolarHBondContact O-N 3.33Å
4	E	42.1	Very low	49.6	Very low	200 Å²	200	143.8 Å²	143.8	94%	0.935	74%	0.739	S	S	*	*			trans	-129.2	100.5	166.9	-74.1	-175.3	165.8	0	0	107.4
5	G	40.8	Very low	50.9	Low	53 Å²	53	140.5 Å²	140.5	55%	0.546	73%	0.728	S	S	.	*			trans	-174.9	-18.6	-178.4	0	0	0	0	0	115.7
6	H	45.6	Very low	52.2	Low	155 Å²	155	142.2 Å²	142.2	72%	0.718	73%	0.729	S	S	*	*	S	Bend	trans	-89.7	-18.4	-178.2	-83.7	-82.2	0	0	0	115.1	C8	H6-C8 PolarHBondContact O-N 3.12Å
7	A	49.6	Very low	53.4	Low	84 Å²	84	139.1 Å²	139.1	69%	0.694	71%	0.713	S	S	*	*	H	α-helix	trans	-73.5	-24	-178.2	0	0	0	0	0	113.8
8	C	47.9	Very low	54.3	Low	92 Å²	92	133.5 Å²	133.5	62%	0.622	70%	0.695	S	S	*	*	H	α-helix	trans	-78.1	-29.5	-178	-154.4	0	0	0	0	112.6	H6 C12	H6-C8 PolarHBondContact O-N 3.12Å; C8-C12 PolarHBondContact O-N 3.31Å; C8-C12 PolarHBondContact O-SG 3.33Å
9	K	50.8	Low	55.4	Low	156 Å²	156	134.6 Å²	134.6	68%	0.678	69%	0.694	S	S	*	*	H	α-helix	trans	-68.8	-39	-178.7	-74.9	-174.1	176.3	-178.5	0	113.2	F13	K9-F13 WeakPolarHBondContact O-CB 3.23Å; K9-F13 PolarHBondContact O-N 2.98Å
10	Y	52.5	Low	56.3	Low	177 Å²	177	131.3 Å²	131.3	69%	0.694	68%	0.683	S	S	*	*	H	α-helix	trans	-73.6	-39.4	-176.4	-92.8	-85.9	0	0	0	113.6	F13 I14	Y10-F13 PolarHBondContact O-N 3.14Å; Y10-I14 WeakPolarHBondContact O-CG1 3.44Å; Y10-I14 PolarHBondContact O-N 2.78Å
11	K	53.5	Low	57.3	Low	167 Å²	167	128.7 Å²	128.7	73%	0.726	67%	0.673	S	S	*	*	H	α-helix	trans	-68.1	-40.3	178.8	-76.1	-174.5	175.9	-178.3	0	112	F13 V15	K11-F13 VanDerWaalsContact C-N 3.33Å; K11-F13 PolarHBondContact O-N 3.45Å; K11-V15 WeakPolarHBondContact O-CG2 3.47Å; K11-V15 PolarHBondContact O-N 2.84Å
12	C	64.8	Low	59.3	Low	76 Å²	76	121 Å²	121	51%	0.514	64%	0.64	S	S	.	*	H	α-helix	trans	-65.3	-35.8	175.2	-69.3	0	0	0	0	112.4	C8 V15 F16	C8-C12 PolarHBondContact O-N 3.31Å; C8-C12 PolarHBondContact O-SG 3.33Å; C12-V15 PolarHBondContact O-N 3.17Å; C12-F16 PolarHBondContact O-N 3.33Å
13	F	64	Low	61.1	Low	137 Å²	137	121.6 Å²	121.6	60%	0.601	63%	0.627	S	S	*	*	H	α-helix	trans	-68.2	-41.3	-179	-158.6	-105	0	0	0	112.8	K9 Y10 K11 F16 I17	K9-F13 WeakPolarHBondContact O-CB 3.23Å; K9-F13 PolarHBondContact O-N 2.98Å; Y10-F13 PolarHBondContact O-N 3.14Å; K11-F13 VanDerWaalsContact C-N 3.33Å; K11-F13 PolarHBondContact O-N 3.45Å; F13-F16 PolarHBondContact O-N 3.18Å; F13-I17 HydrophobicContact CD1-CD1 3.66Å; F13-I17 HydrophobicContact CD1-CG1 4.47Å; F13-I17 HydrophobicContact CE1-CD1 3.54Å; F13-I17 HydrophobicContact CE1-CG1 4.39Å; F13-I17 HydrophobicContact CZ-CD1 4.42Å; F13-I17 WeakPolarHBondContact O-CG1 3.3Å; F13-I17 PolarHBondContact O-N 2.84Å
14	I	69.5	Low	62.8	Low	116 Å²	116	112.4 Å²	112.4	60%	0.595	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-40.1	177.8	-65.5	171.2	0	0	0	111.1	Y10 F16 I17 G18	Y10-I14 WeakPolarHBondContact O-CG1 3.44Å; Y10-I14 PolarHBondContact O-N 2.78Å; I14-F16 VanDerWaalsContact C-N 3.32Å; I14-F16 PolarHBondContact O-N 3.05Å; I14-I17 PolarHBondContact O-N 3.34Å; I14-G18 PolarHBondContact O-N 3.21Å
15	V	69.9	Low	64.4	Low	95 Å²	95	108.3 Å²	108.3	58%	0.576	59%	0.585	S	S	*	*	H	α-helix	trans	-64.4	-38.8	176.1	174.7	0	0	0	0	111	K11 C12 G18 F19	K11-V15 WeakPolarHBondContact O-CG2 3.47Å; K11-V15 PolarHBondContact O-N 2.84Å; C12-V15 PolarHBondContact O-N 3.17Å; V15-G18 PolarHBondContact O-N 2.72Å; V15-F19 PolarHBondContact O-N 3.45Å
16	F	70.8	Confident	66	Low	167 Å²	167	110.5 Å²	110.5	73%	0.732	58%	0.584	S	S	*	*	H	α-helix	trans	-65.8	-42.4	177.8	-124.8	-87.6	0	0	0	112.8	C12 F13 I14 F19 S20	C12-F16 PolarHBondContact O-N 3.33Å; F13-F16 PolarHBondContact O-N 3.18Å; I14-F16 VanDerWaalsContact C-N 3.32Å; I14-F16 PolarHBondContact O-N 3.05Å; F16-F19 PolarHBondContact O-N 3.41Å; F16-S20 PolarHBondContact O-N 3.27Å
17	I	73.6	Confident	67.3	Low	89 Å²	89	109 Å²	109	46%	0.456	57%	0.573	S	S	.	*	H	α-helix	trans	-64.2	-45	175.9	-66.7	168	0	0	0	110.2	F13 I14 F19 S20 V21	F13-I17 HydrophobicContact CD1-CD1 3.66Å; F13-I17 HydrophobicContact CD1-CG1 4.47Å; F13-I17 HydrophobicContact CE1-CD1 3.54Å; F13-I17 HydrophobicContact CE1-CG1 4.39Å; F13-I17 HydrophobicContact CZ-CD1 4.42Å; F13-I17 WeakPolarHBondContact O-CG1 3.3Å; F13-I17 PolarHBondContact O-N 2.84Å; I14-I17 PolarHBondContact O-N 3.34Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 2.79Å; I17-S20 PolarHBondContact O-N 3.3Å; I17-V21 HydrophobicContact CG2-CG2 4.32Å; I17-V21 WeakPolarHBondContact O-CG2 3.47Å; I17-V21 PolarHBondContact O-N 3.46Å
18	G	69	Low	68.1	Low	39 Å²	39	110.6 Å²	110.6	40%	0.402	56%	0.564	S	S	.	*	H	α-helix	trans	-57.7	-45.1	177.7	0	0	0	0	0	112.4	I14 V15 V22	I14-G18 PolarHBondContact O-N 3.21Å; V15-G18 PolarHBondContact O-N 2.72Å; G18-V22 WeakPolarHBondContact O-CG2 3.18Å; G18-V22 PolarHBondContact O-N 2.78Å; G18-V22 VanDerWaalsContact O-N 3.16Å
19	F	74.4	Confident	69	Low	154 Å²	154	109.4 Å²	109.4	68%	0.675	56%	0.561	S	S	*	*	H	α-helix	trans	-65.8	-40.4	177.5	-118.1	-87.7	0	0	0	112.4	V15 F16 I17 L23	V15-F19 PolarHBondContact O-N 3.45Å; F16-F19 PolarHBondContact O-N 3.41Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 2.79Å; F19-L23 VanDerWaalsContact O-CB 3.32Å; F19-L23 WeakPolarHBondContact O-CB 3.21Å; F19-L23 PolarHBondContact O-N 2.9Å
20	S	74.2	Confident	70	Confident	68 Å²	68	107 Å²	107	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-65.2	-41.4	179.1	-167	0	0	0	0	112.2	F16 I17 L23 S24	F16-S20 PolarHBondContact O-N 3.27Å; I17-S20 PolarHBondContact O-N 3.3Å; S20-L23 PolarHBondContact O-N 3.17Å; S20-S24 WeakPolarHBondContact O-CB 3.25Å; S20-S24 PolarHBondContact O-N 3.27Å; S20-S24 PolarHBondContact O-OG 3.23Å; S20-S24 VanDerWaalsContact O-OG 3.07Å
21	V	77.1	Confident	70.5	Confident	78 Å²	78	102.2 Å²	102.2	47%	0.473	54%	0.543	S	S	.	.	H	α-helix	trans	-67.7	-43	179.8	174.1	0	0	0	0	111	I17 S24 L25	I17-V21 HydrophobicContact CG2-CG2 4.32Å; I17-V21 WeakPolarHBondContact O-CG2 3.47Å; I17-V21 PolarHBondContact O-N 3.46Å; V21-S24 PolarHBondContact O-N 3.38Å; V21-L25 HydrophobicContact CG1-CD1 3.99Å; V21-L25 HydrophobicContact CG1-CG 4.49Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.52Å
22	V	78.7	Confident	70.7	Confident	84 Å²	84	102.5 Å²	102.5	51%	0.509	55%	0.545	S	S	.	.	H	α-helix	trans	-65.4	-41.4	177.7	173.8	0	0	0	0	111.1	G18 L25 L26	G18-V22 WeakPolarHBondContact O-CG2 3.18Å; G18-V22 PolarHBondContact O-N 2.78Å; G18-V22 VanDerWaalsContact O-N 3.16Å; V22-L25 PolarHBondContact O-N 3.03Å; V22-L26 HydrophobicContact CG1-CD1 3.84Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 2.03Å
23	L	76.6	Confident	70.4	Confident	118 Å²	118	105 Å²	105	62%	0.618	55%	0.553	S	S	*	*	H	α-helix	trans	-65.9	-39.9	177.6	-158.7	78	0	0	0	111.7	F19 S20 L26 Y27	F19-L23 VanDerWaalsContact O-CB 3.32Å; F19-L23 WeakPolarHBondContact O-CB 3.21Å; F19-L23 PolarHBondContact O-N 2.9Å; S20-L23 PolarHBondContact O-N 3.17Å; L23-L26 PolarHBondContact O-N 2.83Å; L23-Y27 VanDerWaalsContact O-CB 3.32Å; L23-Y27 WeakPolarHBondContact O-CB 3Å; L23-Y27 PolarHBondContact O-N 3.01Å
24	S	73.2	Confident	70.1	Confident	56 Å²	56	100.2 Å²	100.2	39%	0.392	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-48.3	173.3	-66	0	0	0	0	111.4	S20 V21 L26 Y27 F28	S20-S24 WeakPolarHBondContact O-CB 3.25Å; S20-S24 PolarHBondContact O-N 3.27Å; S20-S24 PolarHBondContact O-OG 3.23Å; S20-S24 VanDerWaalsContact O-OG 3.07Å; V21-S24 PolarHBondContact O-N 3.38Å; S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.41Å; S24-Y27 WeakPolarHBondContact O-CB 3.28Å; S24-Y27 PolarHBondContact O-N 2.97Å; S24-Y27 VanDerWaalsContact O-N 3.16Å; S24-F28 WeakPolarHBondContact O-CD2 3.38Å; S24-F28 PolarHBondContact O-N 3.28Å
25	L	75	Confident	69.4	Low	113 Å²	113	100 Å²	100	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-61.6	-39.6	179.1	-72	170.5	0	0	0	112.5	V21 V22 F28 A29	V21-L25 HydrophobicContact CG1-CD1 3.99Å; V21-L25 HydrophobicContact CG1-CG 4.49Å; V21-L25 WeakPolarHBondContact O-CG 3.41Å; V21-L25 PolarHBondContact O-N 2.52Å; V22-L25 PolarHBondContact O-N 3.03Å; L25-F28 PolarHBondContact O-N 2.79Å; L25-A29 WeakPolarHBondContact O-CB 3.35Å; L25-A29 PolarHBondContact O-N 3.17Å
26	L	74.8	Confident	68.6	Low	100 Å²	100	97.3 Å²	97.3	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-68.4	-35.9	174.8	-73.9	168.8	0	0	0	112.5	V22 L23 S24 A29 T30	V22-L26 HydrophobicContact CG1-CD1 3.84Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 2.03Å; L23-L26 PolarHBondContact O-N 2.83Å; S24-L26 VanDerWaalsContact C-N 3.33Å; S24-L26 PolarHBondContact O-N 3.41Å; L26-A29 PolarHBondContact O-N 3.22Å; L26-T30 WeakPolarHBondContact O-CB 3.06Å; L26-T30 VanDerWaalsContact O-CG2 3.3Å; L26-T30 WeakPolarHBondContact O-CG2 3.24Å; L26-T30 PolarHBondContact O-N 3.39Å; L26-T30 VanDerWaalsContact O-N 3.09Å; L26-T30 PolarHBondContact O-OG1 3.14Å
27	Y	74.1	Confident	67.8	Low	124 Å²	124	91.6 Å²	91.6	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-45.3	174.2	-176.6	-98.3	0	0	0	111.5	L23 S24 A29 T30 H31 V34	L23-Y27 VanDerWaalsContact O-CB 3.32Å; L23-Y27 WeakPolarHBondContact O-CB 3Å; L23-Y27 PolarHBondContact O-N 3.01Å; S24-Y27 WeakPolarHBondContact O-CB 3.28Å; S24-Y27 PolarHBondContact O-N 2.97Å; S24-Y27 VanDerWaalsContact O-N 3.16Å; Y27-A29 VanDerWaalsContact C-N 3.28Å; Y27-A29 PolarHBondContact O-N 3.23Å; Y27-T30 PolarHBondContact O-N 3.07Å; Y27-T30 PolarHBondContact O-OG1 3.14Å; Y27-H31 AromaticContact CD2-CD2 3.9Å; Y27-H31 AromaticContact CE2-CD2 3.37Å; Y27-H31 WeakPolarHBondContact CE2-CD2 3.05Å; Y27-H31 AromaticContact CE2-NE2 3.79Å; Y27-H31 AromaticContact CZ-CD2 3.78Å; Y27-H31 PolarHBondContact O-N 3.49Å; Y27-H31 VanDerWaalsContact O-N 3.11Å; Y27-V34 HydrophobicContact CE1-CG2 4.34Å
28	F	64.9	Low	66.9	Low	116 Å²	116	90.3 Å²	90.3	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-32.9	174.8	-80.6	-72.8	0	0	0	112.8	S24 L25 V34	S24-F28 WeakPolarHBondContact O-CD2 3.38Å; S24-F28 PolarHBondContact O-N 3.28Å; L25-F28 PolarHBondContact O-N 2.79Å; F28-V34 HydrophobicContact CD1-CB 4.35Å; F28-V34 HydrophobicContact CD1-CG1 3.32Å; F28-V34 HydrophobicContact CE1-CG1 3.38Å
29	A	68.4	Low	66.2	Low	67 Å²	67	92.6 Å²	92.6	55%	0.554	52%	0.515	S	S	*	.	H	α-helix	trans	-77	-27.7	178.5	0	0	0	0	0	113.6	L25 L26 Y27	L25-A29 WeakPolarHBondContact O-CB 3.35Å; L25-A29 PolarHBondContact O-N 3.17Å; L26-A29 PolarHBondContact O-N 3.22Å; Y27-A29 VanDerWaalsContact C-N 3.28Å; Y27-A29 PolarHBondContact O-N 3.23Å
30	T	70.8	Confident	65.2	Low	105 Å²	105	92.6 Å²	92.6	64%	0.644	52%	0.515	S	S	*	.	H	α-helix	trans	-100.1	-23	-172.9	57.1	0	0	0	0	114.5	L26 Y27 K32	L26-T30 WeakPolarHBondContact O-CB 3.06Å; L26-T30 VanDerWaalsContact O-CG2 3.3Å; L26-T30 WeakPolarHBondContact O-CG2 3.24Å; L26-T30 PolarHBondContact O-N 3.39Å; L26-T30 VanDerWaalsContact O-N 3.09Å; L26-T30 PolarHBondContact O-OG1 3.14Å; Y27-T30 PolarHBondContact O-N 3.07Å; Y27-T30 PolarHBondContact O-OG1 3.14Å; T30-K32 PolarHBondContact O-N 3.18Å
31	H	62.6	Low	64	Low	77 Å²	77	94.3 Å²	94.3	36%	0.356	52%	0.518	S	S	.	.			trans	-92.4	101.7	176.4	-98.6	-83.7	0	0	0	112.6	Y27 D33 V34	Y27-H31 AromaticContact CD2-CD2 3.9Å; Y27-H31 AromaticContact CE2-CD2 3.37Å; Y27-H31 WeakPolarHBondContact CE2-CD2 3.05Å; Y27-H31 AromaticContact CE2-NE2 3.79Å; Y27-H31 AromaticContact CZ-CD2 3.78Å; Y27-H31 PolarHBondContact O-N 3.49Å; Y27-H31 VanDerWaalsContact O-N 3.11Å; H31-D33 PolarHBondContact O-N 3.46Å; H31-D33 VanDerWaalsContact O-N 3.16Å; H31-V34 HydrophobicContact CB-CG2 3.93Å; H31-V34 PolarHBondContact O-N 2.98Å
32	K	57.7	Low	63	Low	174 Å²	174	94.1 Å²	94.1	76%	0.757	52%	0.521	S	S	*	.	H	α-helix	trans	-53	-32.1	174.2	-77.1	-175.2	174.1	-178.5	0	113.5	T30 V34 Q35 G36	T30-K32 PolarHBondContact O-N 3.18Å; K32-V34 PolarHBondContact O-N 2.9Å; K32-Q35 PolarHBondContact O-N 3.39Å; K32-G36 PolarHBondContact O-N 3.37Å
33	D	59.4	Low	61.4	Low	128 Å²	128	95.6 Å²	95.6	68%	0.684	53%	0.526	S	S	*	.	H	α-helix	trans	-64.5	-28.5	179	-57.6	-42.9	0	0	0	112.7	H31 A37	H31-D33 PolarHBondContact O-N 3.46Å; H31-D33 VanDerWaalsContact O-N 3.16Å; D33-A37 PolarHBondContact O-N 3.22Å
34	V	56.5	Low	60	Low	36 Å²	36	91.9 Å²	91.9	22%	0.218	51%	0.51	C	S	.	.	H	α-helix	trans	-80.7	-30.8	179.4	-173	0	0	0	0	111.6	Y27 F28 H31 K32 G36 A37 A38	Y27-V34 HydrophobicContact CE1-CG2 4.34Å; F28-V34 HydrophobicContact CD1-CB 4.35Å; F28-V34 HydrophobicContact CD1-CG1 3.32Å; F28-V34 HydrophobicContact CE1-CG1 3.38Å; H31-V34 HydrophobicContact CB-CG2 3.93Å; H31-V34 PolarHBondContact O-N 2.98Å; K32-V34 PolarHBondContact O-N 2.9Å; V34-G36 VanDerWaalsContact C-N 3.29Å; V34-G36 PolarHBondContact O-N 3.18Å; V34-A37 PolarHBondContact O-N 3.47Å; V34-A38 PolarHBondContact O-N 3.22Å
35	Q	55.1	Low	58.5	Low	112 Å²	112	95 Å²	95	52%	0.523	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-36	171.4	-66	-177.7	-19	0	0	111.5	K32 T39	K32-Q35 PolarHBondContact O-N 3.39Å; Q35-T39 PolarHBondContact O-N 3.48Å; Q35-T39 PolarHBondContact O-OG1 2.76Å
36	G	54.7	Low	57	Low	38 Å²	38	93.7 Å²	93.7	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-65.8	-40.3	172.5	0	0	0	0	0	113.1	K32 V34 T39 F40	K32-G36 PolarHBondContact O-N 3.37Å; V34-G36 VanDerWaalsContact C-N 3.29Å; V34-G36 PolarHBondContact O-N 3.18Å; G36-T39 WeakPolarHBondContact CA-OG1 3.28Å; G36-T39 PolarHBondContact O-OG1 2.87Å; G36-F40 WeakPolarHBondContact O-CB 3.3Å; G36-F40 PolarHBondContact O-N 2.7Å
37	A	53.4	Low	55.4	Low	47 Å²	47	94.2 Å²	94.2	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-68.2	-38.9	177.6	0	0	0	0	0	112.8	D33 V34 F40 L41	D33-A37 PolarHBondContact O-N 3.22Å; V34-A37 PolarHBondContact O-N 3.47Å; A37-F40 PolarHBondContact O-N 3.43Å; A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 VanDerWaalsContact O-CG 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.23Å; A37-L41 PolarHBondContact O-N 2.75Å
38	A	54.1	Low	53.6	Low	62 Å²	62	98.3 Å²	98.3	51%	0.512	54%	0.544	S	S	.	.	H	α-helix	trans	-66.4	-39.4	178	0	0	0	0	0	112.5	V34 S42	V34-A38 PolarHBondContact O-N 3.22Å; A38-S42 WeakPolarHBondContact O-CB 3.24Å; A38-S42 PolarHBondContact O-N 2.75Å
39	T	54.4	Low	52	Low	88 Å²	88	99.7 Å²	99.7	54%	0.54	56%	0.555	S	S	.	*	H	α-helix	trans	-68.4	-37.7	174.2	35.2	0	0	0	0	111.9	Q35 G36 N43	Q35-T39 PolarHBondContact O-N 3.48Å; Q35-T39 PolarHBondContact O-OG1 2.76Å; G36-T39 WeakPolarHBondContact CA-OG1 3.28Å; G36-T39 PolarHBondContact O-OG1 2.87Å; T39-N43 PolarHBondContact O-N 3.19Å
40	F	53.4	Low	50.3	Low	153 Å²	153	104.3 Å²	104.3	67%	0.671	56%	0.56	S	S	*	*	H	α-helix	trans	-66.9	-40.8	175	-169.6	-99.3	0	0	0	112.9	G36 A37 N43 S44	G36-F40 WeakPolarHBondContact O-CB 3.3Å; G36-F40 PolarHBondContact O-N 2.7Å; A37-F40 PolarHBondContact O-N 3.43Å; F40-N43 PolarHBondContact O-N 2.95Å; F40-S44 VanDerWaalsContact O-CB 3.26Å; F40-S44 WeakPolarHBondContact O-CB 3.41Å; F40-S44 PolarHBondContact O-N 2.81Å
41	L	49.9	Very low	48.6	Very low	104 Å²	104	105 Å²	105	55%	0.545	57%	0.566	S	S	.	*	H	α-helix	trans	-69.4	-37	178	-72.4	171.7	0	0	0	112.5	A37 S44 L45	A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 VanDerWaalsContact O-CG 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.23Å; A37-L41 PolarHBondContact O-N 2.75Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 WeakPolarHBondContact O-CD1 3.44Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.08Å
42	S	55.1	Low	47.1	Very low	74 Å²	74	110.9 Å²	110.9	52%	0.517	59%	0.591	S	S	.	*	H	α-helix	trans	-61	-43.7	173.5	-174.6	0	0	0	0	112	A38 S46	A38-S42 WeakPolarHBondContact O-CB 3.24Å; A38-S42 PolarHBondContact O-N 2.75Å; S42-S46 PolarHBondContact O-N 3.43Å; S42-S46 PolarHBondContact O-OG 3.31Å
43	N	44.4	Very low	45.8	Very low	116 Å²	116	111.8 Å²	111.8	62%	0.62	60%	0.597	S	S	*	*	H	α-helix	trans	-73.2	-33.3	179.5	-72.5	-8.6	0	0	0	112.8	T39 F40 T47	T39-N43 PolarHBondContact O-N 3.19Å; F40-N43 PolarHBondContact O-N 2.95Å; N43-T47 PolarHBondContact O-OG1 2.99Å; N43-T47 VanDerWaalsContact O-OG1 3.12Å
44	S	48	Very low	44.3	Very low	40 Å²	40	110.4 Å²	110.4	28%	0.28	60%	0.598	S	S	.	*	H	α-helix	trans	-72.4	-33.6	176.9	-178.1	0	0	0	0	113.1	F40 L41 S46 T47	F40-S44 VanDerWaalsContact O-CB 3.26Å; F40-S44 WeakPolarHBondContact O-CB 3.41Å; F40-S44 PolarHBondContact O-N 2.81Å; L41-S44 PolarHBondContact O-N 3.18Å; S44-S46 VanDerWaalsContact C-N 3.32Å; S44-T47 PolarHBondContact O-N 3.23Å; S44-T47 PolarHBondContact O-OG1 2.87Å
45	L	41.9	Very low	43.3	Very low	121 Å²	121	116.7 Å²	116.7	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-71.9	-26.8	176.7	-75.7	163.7	0	0	0	112.7	L41 T47	L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 WeakPolarHBondContact O-CD1 3.44Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.08Å; L45-T47 VanDerWaalsContact C-N 3.27Å; L45-T47 PolarHBondContact O-N 2.78Å
46	S	44	Very low	42.2	Very low	85 Å²	85	117.9 Å²	117.9	59%	0.594	64%	0.638	S	S	*	*	H	α-helix	trans	-71.5	-20.4	175.1	-63.4	0	0	0	0	113.2	S42 S44	S42-S46 PolarHBondContact O-N 3.43Å; S42-S46 PolarHBondContact O-OG 3.31Å; S44-S46 VanDerWaalsContact C-N 3.32Å
47	T	40.2	Very low	41.8	Very low	111 Å²	111	121.1 Å²	121.1	68%	0.681	65%	0.652	S	S	*	*	H	α-helix	trans	-97.5	-10.8	-177.8	20	0	0	0	0	114.7	N43 S44 L45	N43-T47 PolarHBondContact O-OG1 2.99Å; N43-T47 VanDerWaalsContact O-OG1 3.12Å; S44-T47 PolarHBondContact O-N 3.23Å; S44-T47 PolarHBondContact O-OG1 2.87Å; L45-T47 VanDerWaalsContact C-N 3.27Å; L45-T47 PolarHBondContact O-N 2.78Å
48	R	35.9	Very low	40.4	Very low	211 Å²	211	129.5 Å²	129.5	80%	0.796	67%	0.674	S	S	*	*	S	Bend	trans	-101.3	1.2	-175.4	-75.8	-163.9	-175.2	-151.9	2	116.8
49	L	33.2	Very low	39.5	Very low	144 Å²	144	132.6 Å²	132.6	75%	0.754	69%	0.687	S	S	*	*	S	Bend	trans	-106.9	18.6	-177.1	-73.2	172.4	0	0	0	115.8	P51	L49-P51 VanDerWaalsContact O-CD 3.3Å; L49-P51 WeakPolarHBondContact O-CD 3.48Å
50	Y	32.4	Very low	38	Very low	165 Å²	165	137.1 Å²	137.1	65%	0.647	70%	0.702	S	S	*	*			trans	-111.3	91.4	170.5	-70.5	-78.9	0	0	0	111.1	F52	Y50-F52 PolarHBondContact O-N 3.15Å
51	P	33.6	Very low	37	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	71%	0.707	S	S	*	*			trans	-75.7	111.8	169.1	27.9	-24.1	0	0	0	108.9	L49 H53	L49-P51 VanDerWaalsContact O-CD 3.3Å; L49-P51 WeakPolarHBondContact O-CD 3.48Å; P51-H53 PolarHBondContact O-N 2.93Å
52	F	31.6	Very low	36	Very low	200 Å²	200	137.9 Å²	137.9	88%	0.877	71%	0.713	S	S	*	*			trans	-54.7	111.9	165	-81.7	-95.6	0	0	0	110.1	Y50 S54	Y50-F52 PolarHBondContact O-N 3.15Å; F52-S54 PolarHBondContact O-N 3.31Å
53	H	30.8	Very low	34.6	Very low	192 Å²	192	143.7 Å²	143.7	89%	0.889	73%	0.73	S	S	*	*			trans	-89.2	99.7	156	-106.2	-46.9	0	0	0	109.3	P51	P51-H53 PolarHBondContact O-N 2.93Å
54	S	28.4	Very low	34.2	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	74%	0.741	S	S	*	*			trans	-67	124	164.4	169.1	0	0	0	0	110.6	F52	F52-S54 PolarHBondContact O-N 3.31Å
55	I	35.4	Very low	33.4	Very low	168 Å²	168	152.7 Å²	152.7	86%	0.862	76%	0.764	S	S	*	*			trans	-134.8	117.9	149.7	-60.9	-179	0	0	0	106.9
56	N	32.4	Very low	33.3	Very low	136 Å²	136	149.6 Å²	149.6	73%	0.727	76%	0.761	S	S	*	*			trans	-92	174.9	174	-140.2	-4.3	0	0	0	108.4
57	P	44.7	Very low	33.8	Very low	106 Å²	106	152.1 Å²	152.1	69%	0.688	77%	0.768	S	S	*	*			cis	-141.9	170.3	-5.2	41	-21.9	0	0	0	117.3
58	R	25.6	Very low	34.9	Very low	223 Å²	223	149.6 Å²	149.6	84%	0.842	76%	0.764	S	S	*	*			trans	80.4	73.7	144.9	-146.2	177.6	-156.5	169.3	4.6	118.1
59	V	33.4	Very low	36.6	Very low	128 Å²	128	147 Å²	147	78%	0.776	76%	0.755	S	S	*	*			trans	-115.4	118.8	143.3	179.7	0	0	0	0	106.3	E61	V59-E61 HydrophobicContact CG1-CG 4.47Å; V59-E61 PolarHBondContact O-N 3.31Å
60	Q	24.7	Very low	38.4	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	75%	0.745	S	S	*	*			trans	-68.1	97.1	169.9	-86.9	166.2	-61.9	0	0	107.4
61	E	31.5	Very low	40.4	Very low	169 Å²	169	138.2 Å²	138.2	79%	0.79	73%	0.726	S	S	*	*			trans	-78.7	139.1	168.1	-78.6	-174.4	166.6	0	0	110.3	V59	V59-E61 HydrophobicContact CG1-CG 4.47Å; V59-E61 PolarHBondContact O-N 3.31Å
62	P	29	Very low	42.8	Very low	103 Å²	103	134.7 Å²	134.7	67%	0.669	70%	0.704	S	S	*	*			trans	-70.6	145.5	-177.2	7.5	3.1	0	0	0	111.6	Y64	P62-Y64 PolarHBondContact O-N 3.26Å
63	F	25.8	Very low	45.3	Very low	197 Å²	197	126.2 Å²	126.2	86%	0.864	67%	0.668	S	S	*	*			trans	-57.4	90.2	177.7	-153.2	-97.3	0	0	0	111.4	V65	F63-V65 HydrophobicContact CD1-CG2 3.84Å; F63-V65 HydrophobicContact CE1-CG2 4.06Å; F63-V65 PolarHBondContact O-N 2.92Å
64	Y	35.3	Very low	48	Very low	218 Å²	218	121.4 Å²	121.4	86%	0.855	65%	0.646	S	S	*	*			trans	-80.4	106.8	170.8	-95.5	-87.5	0	0	0	109.8	P62	P62-Y64 PolarHBondContact O-N 3.26Å
65	V	31.9	Very low	50.8	Low	127 Å²	127	122.3 Å²	122.3	77%	0.77	64%	0.643	S	S	*	*			trans	-77.6	115.4	166.8	178.1	0	0	0	0	107.8	F63	F63-V65 HydrophobicContact CD1-CG2 3.84Å; F63-V65 HydrophobicContact CE1-CG2 4.06Å; F63-V65 PolarHBondContact O-N 2.92Å
66	G	40	Very low	53.3	Low	55 Å²	55	118.7 Å²	118.7	57%	0.567	62%	0.622	S	S	*	*			trans	135.2	53.7	162.3	0	0	0	0	0	117.7	G68	G66-G68 PolarHBondContact O-N 2.96Å
67	D	53.5	Low	55.9	Low	138 Å²	138	112.2 Å²	112.2	74%	0.738	59%	0.587	S	S	*	*	H	α-helix	trans	-67.5	-19	172.6	-161.1	18.6	0	0	0	113.2	Y69 G71	D67-Y69 PolarHBondContact O-N 3.08Å; D67-G71 PolarHBondContact O-N 3.07Å; D67-G71 VanDerWaalsContact O-N 3.15Å
68	G	64.3	Low	57.9	Low	59 Å²	59	109.8 Å²	109.8	61%	0.608	57%	0.567	S	S	*	*	H	α-helix	trans	-68.6	-33.7	-174.5	0	0	0	0	0	115.4	G66 S72	G66-G68 PolarHBondContact O-N 2.96Å; G68-S72 PolarHBondContact O-N 3.26Å; G68-S72 PolarHBondContact O-OG 2.85Å
69	Y	70.6	Confident	60.8	Low	155 Å²	155	105.5 Å²	105.5	61%	0.608	56%	0.556	S	S	*	*	H	α-helix	trans	-75.8	-38.2	-178.6	-177.2	-104.9	0	0	0	112.2	D67 S72 L73	D67-Y69 PolarHBondContact O-N 3.08Å; Y69-S72 PolarHBondContact O-N 2.72Å; Y69-S72 PolarHBondContact O-OG 3.2Å; Y69-L73 HydrophobicContact CD1-CD1 3.94Å; Y69-L73 HydrophobicContact CE1-CD1 3.4Å; Y69-L73 HydrophobicContact CE1-CG 4.15Å; Y69-L73 WeakPolarHBondContact O-CG 3.36Å; Y69-L73 PolarHBondContact O-N 2.84Å; Y69-L73 VanDerWaalsContact O-N 3.11Å
70	L	70.6	Confident	63.2	Low	101 Å²	101	102 Å²	102	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-63.8	-49.1	173.8	-175	60.9	0	0	0	109.2	S72 L73 E74	L70-S72 PolarHBondContact O-N 3.1Å; L70-L73 PolarHBondContact O-N 3.07Å; L70-E74 HydrophobicContact CG-CG 4.38Å; L70-E74 WeakPolarHBondContact O-CG 3.26Å; L70-E74 PolarHBondContact O-N 3.4Å
71	G	75.9	Confident	65.9	Low	24 Å²	24	93.9 Å²	93.9	25%	0.247	49%	0.494	C	S	.	.	H	α-helix	trans	-53.8	-45.2	175.4	0	0	0	0	0	113.9	D67 E74 D75	D67-G71 PolarHBondContact O-N 3.07Å; D67-G71 VanDerWaalsContact O-N 3.15Å; G71-E74 WeakPolarHBondContact O-CA 3.36Å; G71-E74 WeakPolarHBondContact O-CB 3.34Å; G71-E74 PolarHBondContact O-N 3.42Å; G71-D75 PolarHBondContact O-N 2.04Å
72	S	84.4	Confident	68.3	Low	46 Å²	46	94.6 Å²	94.6	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-41.5	177.8	62.1	0	0	0	0	112.8	G68 Y69 L70 E74 D75 E76	G68-S72 PolarHBondContact O-N 3.26Å; G68-S72 PolarHBondContact O-OG 2.85Å; Y69-S72 PolarHBondContact O-N 2.72Å; Y69-S72 PolarHBondContact O-OG 3.2Å; L70-S72 PolarHBondContact O-N 3.1Å; S72-E74 PolarHBondContact O-N 3.32Å; S72-D75 PolarHBondContact O-N 2.85Å; S72-E76 WeakPolarHBondContact O-CG 3.37Å; S72-E76 PolarHBondContact O-N 3.39Å
73	L	84.1	Confident	70.5	Confident	22 Å²	22	93.3 Å²	93.3	12%	0.115	49%	0.488	C	S	.	.	H	α-helix	trans	-64.5	-29.8	172.6	-73.1	176.8	0	0	0	111.7	Y69 L70 A77	Y69-L73 HydrophobicContact CD1-CD1 3.94Å; Y69-L73 HydrophobicContact CE1-CD1 3.4Å; Y69-L73 HydrophobicContact CE1-CG 4.15Å; Y69-L73 WeakPolarHBondContact O-CG 3.36Å; Y69-L73 PolarHBondContact O-N 2.84Å; Y69-L73 VanDerWaalsContact O-N 3.11Å; L70-L73 PolarHBondContact O-N 3.07Å; L73-A77 WeakPolarHBondContact O-CB 3.08Å; L73-A77 PolarHBondContact O-N 2.78Å; L73-A77 VanDerWaalsContact O-N 3.14Å
74	E	85.7	Confident	72.2	Confident	92 Å²	92	84.9 Å²	84.9	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-49.2	175.1	-52.5	-141.7	111	0	0	111.9	L70 G71 S72 A77 E78 R317	L70-E74 HydrophobicContact CG-CG 4.38Å; L70-E74 WeakPolarHBondContact O-CG 3.26Å; L70-E74 PolarHBondContact O-N 3.4Å; G71-E74 WeakPolarHBondContact O-CA 3.36Å; G71-E74 WeakPolarHBondContact O-CB 3.34Å; G71-E74 PolarHBondContact O-N 3.42Å; S72-E74 PolarHBondContact O-N 3.32Å; E74-A77 PolarHBondContact O-N 2.93Å; E74-E78 PolarHBondContact O-N 3.24Å; E74-R317 VanDerWaalsContact CA-NH2 3.34Å; E74-R317 VanDerWaalsContact CB-NH2 3.32Å; E74-R317 VanDerWaalsContact CD-NH2 3.28Å; E74-R317 PolarHBondContact O-NH1 3.14Å; E74-R317 VanDerWaalsContact O-NH1 3.1Å; E74-R317 IonicContact OE1-CZ 3.91Å; E74-R317 IonicContact OE1-NH2 2.76Å; E74-R317 PolarHBondContact OE1-NH2 2.9Å
75	D	88	Confident	73	Confident	119 Å²	119	76 Å²	76	64%	0.636	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-45.5	179	-69.9	-30.4	0	0	0	111.9	G71 S72 A77 E78 E79	G71-D75 PolarHBondContact O-N 2.04Å; S72-D75 PolarHBondContact O-N 2.85Å; D75-A77 VanDerWaalsContact C-N 3.34Å; D75-A77 PolarHBondContact O-N 3.27Å; D75-E78 PolarHBondContact O-N 3.46Å; D75-E79 PolarHBondContact O-N 2.81Å
76	E	87.6	Confident	73.9	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	41%	0.413	S	S	.	.	H	α-helix	trans	-59.6	-42.7	177.1	-75.7	178.4	-166.7	0	0	111.8	S72 E79 E80 L310	S72-E76 WeakPolarHBondContact O-CG 3.37Å; S72-E76 PolarHBondContact O-N 3.39Å; E76-E79 WeakPolarHBondContact O-CB 3.06Å; E76-E79 PolarHBondContact O-N 3.29Å; E76-E80 PolarHBondContact O-N 3.23Å; E76-L310 HydrophobicContact CB-CD1 3.69Å
77	A	87.2	Confident	74.3	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-73.4	-28.4	179.1	0	0	0	0	0	112.9	L73 E74 D75 E79 L81 L310 T313 V314	L73-A77 WeakPolarHBondContact O-CB 3.08Å; L73-A77 PolarHBondContact O-N 2.78Å; L73-A77 VanDerWaalsContact O-N 3.14Å; E74-A77 PolarHBondContact O-N 2.93Å; D75-A77 VanDerWaalsContact C-N 3.34Å; D75-A77 PolarHBondContact O-N 3.27Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-L81 WeakPolarHBondContact O-CB 3.33Å; A77-L81 WeakPolarHBondContact O-CD1 3.4Å; A77-L81 WeakPolarHBondContact O-CG 3.43Å; A77-L81 PolarHBondContact O-N 2.75Å; A77-L310 HydrophobicContact CB-CD1 3.8Å; A77-T313 HydrophobicContact CB-CG2 3.74Å; A77-V314 HydrophobicContact CB-CG2 3.49Å; A77-V314 VanDerWaalsContact CB-CG2 3.49Å
78	E	86.7	Confident	73.9	Confident	55 Å²	55	77 Å²	77	26%	0.257	42%	0.417	S	S	.	.	H	α-helix	trans	-68.6	-33.7	168.5	-77.1	-62	146.7	0	0	112	E74 D75 R82 R321	E74-E78 PolarHBondContact O-N 3.24Å; D75-E78 PolarHBondContact O-N 3.46Å; E78-R82 VanDerWaalsContact O-CG 3.26Å; E78-R82 WeakPolarHBondContact O-CG 3.33Å; E78-R82 PolarHBondContact O-N 2.69Å; E78-R321 IonicContact OE2-NH1 3.69Å
79	E	86	Confident	73.3	Confident	133 Å²	133	81.7 Å²	81.7	62%	0.621	43%	0.428	S	S	*	.	H	α-helix	trans	-64.9	-47.9	171.8	-171.7	171.2	-171.1	0	0	111.6	D75 E76 A77 L81 R82 A83	D75-E79 PolarHBondContact O-N 2.81Å; E76-E79 WeakPolarHBondContact O-CB 3.06Å; E76-E79 PolarHBondContact O-N 3.29Å; A77-E79 VanDerWaalsContact C-N 3.33Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.32Å; E79-R82 CarbonylContact O-C 3.5Å; E79-R82 WeakPolarHBondContact O-CA 3.11Å; E79-R82 WeakPolarHBondContact O-CB 3.3Å; E79-R82 PolarHBondContact O-N 3.06Å; E79-A83 WeakPolarHBondContact O-CB 3.37Å; E79-A83 PolarHBondContact O-N 3.25Å
80	E	84.8	Confident	73.2	Confident	54 Å²	54	76.4 Å²	76.4	25%	0.252	41%	0.414	S	S	.	.	H	α-helix	trans	-60.8	-38.6	175.1	-74.5	-63.9	165	0	0	112.6	E76 R82 A83 G84 M306 L310 V314	E76-E80 PolarHBondContact O-N 3.23Å; E80-R82 VanDerWaalsContact C-N 3.28Å; E80-R82 PolarHBondContact O-N 3.07Å; E80-A83 PolarHBondContact O-N 2.81Å; E80-G84 WeakPolarHBondContact O-CA 3.47Å; E80-G84 PolarHBondContact O-N 3.44Å; E80-M306 HydrophobicContact CB-CE 4.43Å; E80-M306 HydrophobicContact CG-CE 3.8Å; E80-L310 HydrophobicContact CG-CD2 4.1Å; E80-V314 HydrophobicContact CB-CG2 3.73Å; E80-V314 HydrophobicContact CG-CG2 4.33Å
81	L	81.5	Confident	73.8	Confident	13 Å²	13	73.7 Å²	73.7	7%	0.068	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-32.5	173.6	-74.1	169	0	0	0	112.5	A77 E79 G85 T297 V314 R317	A77-L81 WeakPolarHBondContact O-CB 3.33Å; A77-L81 WeakPolarHBondContact O-CD1 3.4Å; A77-L81 WeakPolarHBondContact O-CG 3.43Å; A77-L81 PolarHBondContact O-N 2.75Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 3.32Å; L81-G85 PolarHBondContact O-N 3.3Å; L81-G85 VanDerWaalsContact O-N 3.11Å; L81-T297 HydrophobicContact CD2-CG2 4.39Å; L81-V314 HydrophobicContact CD2-CG1 3.87Å; L81-V314 HydrophobicContact CG-CG1 4.14Å; L81-R317 HydrophobicContact CD1-CB 3.69Å
82	R	81.1	Confident	74.4	Confident	184 Å²	184	73.1 Å²	73.1	69%	0.694	39%	0.394	S	S	*	.	H	α-helix	trans	-78.1	-37.6	175.4	-73.3	172.9	-170.4	148.4	7.3	112.2	E78 E79 E80	E78-R82 VanDerWaalsContact O-CG 3.26Å; E78-R82 WeakPolarHBondContact O-CG 3.33Å; E78-R82 PolarHBondContact O-N 2.69Å; E79-R82 CarbonylContact O-C 3.5Å; E79-R82 WeakPolarHBondContact O-CA 3.11Å; E79-R82 WeakPolarHBondContact O-CB 3.3Å; E79-R82 PolarHBondContact O-N 3.06Å; E80-R82 VanDerWaalsContact C-N 3.28Å; E80-R82 PolarHBondContact O-N 3.07Å
83	A	74.7	Confident	74.6	Confident	77 Å²	77	74.5 Å²	74.5	64%	0.636	40%	0.397	S	S	*	.	H	α-helix	trans	-76.9	-40.1	-178.9	0	0	0	0	0	112.3	E79 E80 G85	E79-A83 WeakPolarHBondContact O-CB 3.37Å; E79-A83 PolarHBondContact O-N 3.25Å; E80-A83 PolarHBondContact O-N 2.81Å; A83-G85 VanDerWaalsContact C-N 3.32Å
84	G	62.4	Low	75	Confident	19 Å²	19	73.4 Å²	73.4	20%	0.196	39%	0.391	C	S	.	.	H	α-helix	trans	-76.4	-20.9	172.5	0	0	0	0	0	113.2	E80 Q86	E80-G84 WeakPolarHBondContact O-CA 3.47Å; E80-G84 PolarHBondContact O-N 3.44Å; G84-Q86 PolarHBondContact O-N 3.3Å
85	G	51.8	Low	75.3	Confident	33 Å²	33	71.1 Å²	71.1	34%	0.34	38%	0.38	S	S	.	.	S	Bend	trans	-60.1	101.5	164.1	0	0	0	0	0	108.5	L81 A83 S87	L81-G85 PolarHBondContact O-N 3.3Å; L81-G85 VanDerWaalsContact O-N 3.11Å; A83-G85 VanDerWaalsContact C-N 3.32Å; G85-S87 PolarHBondContact O-N 3.06Å
86	Q	50.4	Low	75.5	Confident	80 Å²	80	70.9 Å²	70.9	37%	0.374	38%	0.376	S	S	.	.			trans	-46.3	135.3	171	-46.9	-173.5	-15.5	0	0	107.5	G84 S90	G84-Q86 PolarHBondContact O-N 3.3Å; Q86-S90 WeakPolarHBondContact CA-OG 3.45Å; Q86-S90 WeakPolarHBondContact CB-OG 3.27Å; Q86-S90 PolarHBondContact OE1-O 3.01Å
87	S	48.2	Very low	75.9	Confident	76 Å²	76	68 Å²	68	53%	0.531	37%	0.365	S	S	.	.			trans	-40.9	154.1	-179.4	67.1	0	0	0	0	111.7	G85 D89 S90	G85-S87 PolarHBondContact O-N 3.06Å; S87-D89 PolarHBondContact O-N 3.5Å; S87-S90 PolarHBondContact N-OG 3.33Å; S87-S90 WeakPolarHBondContact O-CA 3.32Å; S87-S90 PolarHBondContact O-N 2.8Å; S87-S90 PolarHBondContact O-OG 2.93Å; S87-S90 PolarHBondContact OG-OG 3.36Å
88	Q	46.6	Very low	76.3	Confident	183 Å²	183	68.8 Å²	68.8	86%	0.855	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-26	-179.3	-77.4	-177	-15.5	0	0	113.9	S90	Q88-S90 VanDerWaalsContact C-N 3.31Å; Q88-S90 PolarHBondContact O-N 3.48Å
89	D	50	Low	76.7	Confident	159 Å²	159	66.6 Å²	66.6	85%	0.85	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.2	174.4	-68.2	-28.9	0	0	0	115.6	S87	S87-D89 PolarHBondContact O-N 3.5Å
90	S	69.5	Low	77.2	Confident	44 Å²	44	60.9 Å²	60.9	31%	0.308	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-1.9	-174	46.3	0	0	0	0	114.6	Q86 S87 Q88 S92	Q86-S90 WeakPolarHBondContact CA-OG 3.45Å; Q86-S90 WeakPolarHBondContact CB-OG 3.27Å; Q86-S90 PolarHBondContact OE1-O 3.01Å; S87-S90 PolarHBondContact N-OG 3.33Å; S87-S90 WeakPolarHBondContact O-CA 3.32Å; S87-S90 PolarHBondContact O-N 2.8Å; S87-S90 PolarHBondContact O-OG 2.93Å; S87-S90 PolarHBondContact OG-OG 3.36Å; Q88-S90 VanDerWaalsContact C-N 3.31Å; Q88-S90 PolarHBondContact O-N 3.48Å; S90-S92 PolarHBondContact O-N 3.05Å
91	V	83.6	Confident	77.7	Confident	43 Å²	43	58.4 Å²	58.4	26%	0.261	32%	0.323	S	S	.	.	S	Bend	trans	-59.1	130.6	169.1	-177.1	0	0	0	0	109.6	E95 Q96	V91-E95 HydrophobicContact CG1-CB 3.61Å; V91-E95 HydrophobicContact CG1-CG 3.58Å; V91-Q96 HydrophobicContact CB-CG 4.02Å; V91-Q96 HydrophobicContact CG1-CG 3.8Å; V91-Q96 PolarHBondContact O-NE2 3.49Å
92	S	88	Confident	78.3	Confident	13 Å²	13	61 Å²	61	9%	0.091	34%	0.335	C	S	.	.			trans	-59.1	151.7	179.7	74	0	0	0	0	112.6	S90 V94 E95 Q96 V194 V195	S90-S92 PolarHBondContact O-N 3.05Å; S92-V94 PolarHBondContact O-N 3.41Å; S92-E95 PolarHBondContact O-N 3.24Å; S92-E95 WeakPolarHBondContact OG-CB 3.05Å; S92-E95 PolarHBondContact OG-N 2.84Å; S92-E95 VanDerWaalsContact OG-N 3.07Å; S92-Q96 WeakPolarHBondContact O-CG 3.49Å; S92-Q96 PolarHBondContact O-N 3.37Å; S92-V194 WeakPolarHBondContact CB-O 3.49Å; S92-V194 PolarHBondContact OG-O 2.96Å; S92-V195 WeakPolarHBondContact CB-O 3.36Å
93	L	89.2	Confident	78.8	Confident	74 Å²	74	56.6 Å²	56.6	39%	0.387	32%	0.322	S	S	.	.	H	α-helix	trans	-58.4	-30.4	173.6	-72.5	172.1	0	0	0	113	S97 D200	L93-S97 WeakPolarHBondContact O-CB 3.32Å; L93-S97 PolarHBondContact O-N 2.87Å; L93-S97 VanDerWaalsContact O-N 3.1Å; L93-S97 PolarHBondContact O-OG 3.37Å; L93-S97 VanDerWaalsContact O-OG 3.1Å; L93-D200 WeakPolarHBondContact CD1-OD2 3.26Å
94	V	92	Very high	79.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-45.9	176.1	-176.7	0	0	0	0	110.1	S92 N98 V194 V199 D200 Y215	S92-V94 PolarHBondContact O-N 3.41Å; V94-N98 VanDerWaalsContact O-CB 3.32Å; V94-N98 WeakPolarHBondContact O-CB 3.47Å; V94-N98 PolarHBondContact O-N 2.93Å; V94-N98 VanDerWaalsContact O-N 3.08Å; V94-V194 HydrophobicContact CB-CG1 4.25Å; V94-V194 HydrophobicContact CG1-CB 4.34Å; V94-V194 HydrophobicContact CG1-CG1 4.02Å; V94-V194 HydrophobicContact CG1-CG2 4.26Å; V94-V199 HydrophobicContact CG2-CB 4.16Å; V94-D200 HydrophobicContact CG2-CB 3.69Å; V94-Y215 HydrophobicContact CB-CD2 4.21Å; V94-Y215 HydrophobicContact CB-CE2 4.36Å; V94-Y215 HydrophobicContact CG1-CD1 4.39Å; V94-Y215 HydrophobicContact CG1-CD2 4.02Å; V94-Y215 HydrophobicContact CG1-CG 3.93Å; V94-Y215 HydrophobicContact CG2-CD2 4.46Å; V94-Y215 HydrophobicContact CG2-CE2 4.17Å
95	E	92.7	Very high	80.8	Confident	44 Å²	44	57.1 Å²	57.1	21%	0.206	31%	0.307	C	S	.	.	H	α-helix	trans	-72.6	-42.2	179.4	-175.8	162.9	-167.3	0	0	112.6	V91 S92 S97 N98 V194 K325	V91-E95 HydrophobicContact CG1-CB 3.61Å; V91-E95 HydrophobicContact CG1-CG 3.58Å; S92-E95 PolarHBondContact O-N 3.24Å; S92-E95 WeakPolarHBondContact OG-CB 3.05Å; S92-E95 PolarHBondContact OG-N 2.84Å; S92-E95 VanDerWaalsContact OG-N 3.07Å; E95-S97 PolarHBondContact O-N 3.41Å; E95-N98 PolarHBondContact O-N 3.15Å; E95-V194 HydrophobicContact CB-CG1 3.73Å; E95-V194 HydrophobicContact CG-CG1 4.47Å; E95-K325 IonicContact OE1-NZ 3.97Å; E95-K325 PolarHBondContact OE1-NZ 3.23Å
96	Q	92.4	Very high	82.3	Confident	114 Å²	114	61.2 Å²	61.2	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-32.1	176.7	-68.5	180	18.6	0	0	112.9	V91 S92	V91-Q96 HydrophobicContact CB-CG 4.02Å; V91-Q96 HydrophobicContact CG1-CG 3.8Å; V91-Q96 PolarHBondContact O-NE2 3.49Å; S92-Q96 WeakPolarHBondContact O-CG 3.49Å; S92-Q96 PolarHBondContact O-N 3.37Å
97	S	94.3	Very high	83.3	Confident	30 Å²	30	59.3 Å²	59.3	21%	0.21	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	14.7	-176.7	-45.8	0	0	0	0	112.9	L93 E95 R213 R214 Y215	L93-S97 WeakPolarHBondContact O-CB 3.32Å; L93-S97 PolarHBondContact O-N 2.87Å; L93-S97 VanDerWaalsContact O-N 3.1Å; L93-S97 PolarHBondContact O-OG 3.37Å; L93-S97 VanDerWaalsContact O-OG 3.1Å; E95-S97 PolarHBondContact O-N 3.41Å; S97-R213 WeakPolarHBondContact CB-O 3.49Å; S97-R214 WeakPolarHBondContact O-CA 3.32Å; S97-Y215 PolarHBondContact O-N 3.07Å
98	N	96.4	Very high	84.1	Confident	16 Å²	16	60.9 Å²	60.9	9%	0.086	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-76.7	135.7	176.2	172.8	68.3	0	0	0	110.4	V94 E95 Y215 I217 K325	V94-N98 VanDerWaalsContact O-CB 3.32Å; V94-N98 WeakPolarHBondContact O-CB 3.47Å; V94-N98 PolarHBondContact O-N 2.93Å; V94-N98 VanDerWaalsContact O-N 3.08Å; E95-N98 PolarHBondContact O-N 3.15Å; N98-Y215 CarbonylContact C-O 3.54Å; N98-Y215 VanDerWaalsContact CA-O 3.31Å; N98-Y215 WeakPolarHBondContact CA-O 2.83Å; N98-Y215 PolarHBondContact OD1-O 2.96Å; N98-I217 HydrophobicContact CB-CD1 4.3Å; N98-I217 VanDerWaalsContact OD1-CD1 3.28Å; N98-I217 WeakPolarHBondContact OD1-CD1 3.35Å; N98-I217 VanDerWaalsContact OD1-CG1 3.29Å; N98-I217 WeakPolarHBondContact OD1-CG1 3.27Å; N98-K325 PolarHBondContact ND2-O 2.86Å
99	V	95.7	Very high	84.6	Confident	9 Å²	9	59.7 Å²	59.7	6%	0.055	33%	0.33	C	S	.	.			trans	-107.3	120.8	-179.9	-175.9	0	0	0	0	109	E103 L104 R214 Y215 F216 A327	V99-E103 HydrophobicContact CG1-CB 4.04Å; V99-L104 HydrophobicContact CG1-CD2 4.45Å; V99-L104 HydrophobicContact CG1-CG 4.02Å; V99-R214 HydrophobicContact CG2-CB 4Å; V99-R214 HydrophobicContact CG2-CG 4.47Å; V99-Y215 PolarHBondContact N-O 2.82Å; V99-F216 HydrophobicContact CB-CD1 3.91Å; V99-F216 HydrophobicContact CB-CE1 3.62Å; V99-F216 HydrophobicContact CB-CZ 4.03Å; V99-F216 HydrophobicContact CG1-CD1 4.25Å; V99-F216 HydrophobicContact CG1-CE1 3.68Å; V99-F216 HydrophobicContact CG1-CZ 4.29Å; V99-F216 HydrophobicContact CG2-CE1 3.99Å; V99-F216 HydrophobicContact CG2-CE2 4.3Å; V99-F216 HydrophobicContact CG2-CZ 3.85Å; V99-A327 WeakPolarHBondContact O-CB 3.45Å
100	S	95.9	Very high	85.2	Confident	13 Å²	13	56.2 Å²	56.2	9%	0.091	32%	0.319	C	S	.	.			trans	-81.8	167.2	177.1	62.9	0	0	0	0	113.3	E102 E103 L104 K325	S100-E102 VanDerWaalsContact C-N 3.28Å; S100-E102 PolarHBondContact O-N 2.95Å; S100-E103 WeakPolarHBondContact CB-OE1 3.43Å; S100-E103 PolarHBondContact N-OE1 2.67Å; S100-E103 PolarHBondContact O-N 3.25Å; S100-E103 VanDerWaalsContact OG-CG 3.32Å; S100-E103 WeakPolarHBondContact OG-CG 3.24Å; S100-E103 PolarHBondContact OG-N 3.37Å; S100-E103 PolarHBondContact OG-OE1 3.04Å; S100-L104 PolarHBondContact O-N 2.98Å; S100-L104 VanDerWaalsContact O-N 3.11Å; S100-K325 WeakPolarHBondContact CA-O 3.34Å; S100-K325 WeakPolarHBondContact CB-O 3.5Å
101	F	95.9	Very high	85.4	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-42.2	171.6	177	-91.1	0	0	0	111.4	E103 L104 Q105 M326 L341 T345 R395 L398	F101-E103 VanDerWaalsContact C-N 3.35Å; F101-E103 PolarHBondContact O-N 2.99Å; F101-L104 VanDerWaalsContact O-CB 3.31Å; F101-L104 WeakPolarHBondContact O-CB 3.33Å; F101-L104 PolarHBondContact O-N 2.9Å; F101-L104 VanDerWaalsContact O-N 3.15Å; F101-Q105 HydrophobicContact CD1-CG 3.95Å; F101-Q105 HydrophobicContact CE1-CG 3.46Å; F101-Q105 VanDerWaalsContact CE1-CG 3.46Å; F101-Q105 HydrophobicContact CE2-CG 4.41Å; F101-Q105 HydrophobicContact CZ-CG 3.73Å; F101-Q105 WeakPolarHBondContact O-CG 3.44Å; F101-Q105 PolarHBondContact O-N 3.17Å; F101-M326 PolarHBondContact N-O 3.35Å; F101-L341 HydrophobicContact CE2-CD1 3.9Å; F101-L341 HydrophobicContact CZ-CD1 4.44Å; F101-T345 HydrophobicContact CD2-CG2 4.18Å; F101-R395 VanDerWaalsContact CB-CZ 3.44Å; F101-R395 HydrophobicContact CD1-CB 4.36Å; F101-R395 HydrophobicContact CD1-CG 3.63Å; F101-R395 HydrophobicContact CD2-CG 4.35Å; F101-R395 HydrophobicContact CE1-CB 3.91Å; F101-R395 HydrophobicContact CE1-CG 3.58Å; F101-R395 HydrophobicContact CE2-CB 4.06Å; F101-R395 HydrophobicContact CE2-CG 4.3Å; F101-R395 HydrophobicContact CG-CG 4.03Å; F101-R395 HydrophobicContact CZ-CB 3.74Å; F101-R395 HydrophobicContact CZ-CG 3.93Å; F101-L398 HydrophobicContact CE1-CD1 4.25Å
102	E	92.7	Very high	85.7	Confident	68 Å²	68	55.5 Å²	55.5	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-36.7	-176.9	-67	70.2	-156.8	0	0	111.5	S100 Q105 T106 R395	S100-E102 VanDerWaalsContact C-N 3.28Å; S100-E102 PolarHBondContact O-N 2.95Å; E102-Q105 PolarHBondContact O-N 3.37Å; E102-T106 WeakPolarHBondContact O-CB 3.47Å; E102-T106 WeakPolarHBondContact O-CG2 3.45Å; E102-T106 PolarHBondContact O-N 3.33Å; E102-T106 PolarHBondContact O-OG1 3.38Å; E102-R395 IonicContact OE1-CZ 2.8Å; E102-R395 IonicContact OE1-NE 2.76Å; E102-R395 PolarHBondContact OE1-NE 2.91Å; E102-R395 IonicContact OE1-NH2 3.85Å; E102-R395 PolarHBondContact OE1-NH2 3.33Å; E102-R395 IonicContact OE2-NH2 3.23Å; E102-R395 PolarHBondContact OE2-NH2 2.86Å
103	E	92.7	Very high	86	Confident	90 Å²	90	55.5 Å²	55.5	42%	0.421	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-39.2	171.1	-73.5	167.7	-82.1	0	0	112.2	V99 S100 F101 Q105 T106 S107	V99-E103 HydrophobicContact CG1-CB 4.04Å; S100-E103 WeakPolarHBondContact CB-OE1 3.43Å; S100-E103 PolarHBondContact N-OE1 2.67Å; S100-E103 PolarHBondContact O-N 3.25Å; S100-E103 VanDerWaalsContact OG-CG 3.32Å; S100-E103 WeakPolarHBondContact OG-CG 3.24Å; S100-E103 PolarHBondContact OG-N 3.37Å; S100-E103 PolarHBondContact OG-OE1 3.04Å; F101-E103 VanDerWaalsContact C-N 3.35Å; F101-E103 PolarHBondContact O-N 2.99Å; E103-Q105 VanDerWaalsContact C-N 3.27Å; E103-Q105 PolarHBondContact O-N 2.94Å; E103-T106 PolarHBondContact O-N 2.73Å; E103-T106 PolarHBondContact O-OG1 2.65Å; E103-S107 PolarHBondContact O-N 3.4Å
104	L	92.7	Very high	86.2	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-36.3	174.1	-80.8	169.5	0	0	0	112.4	V99 S100 F101 A111 F216 A327 T345	V99-L104 HydrophobicContact CG1-CD2 4.45Å; V99-L104 HydrophobicContact CG1-CG 4.02Å; S100-L104 PolarHBondContact O-N 2.98Å; S100-L104 VanDerWaalsContact O-N 3.11Å; F101-L104 VanDerWaalsContact O-CB 3.31Å; F101-L104 WeakPolarHBondContact O-CB 3.33Å; F101-L104 PolarHBondContact O-N 2.9Å; F101-L104 VanDerWaalsContact O-N 3.15Å; L104-A111 HydrophobicContact CD2-CB 4.07Å; L104-A111 WeakPolarHBondContact CD2-O 3.42Å; L104-F216 HydrophobicContact CD1-CD1 4.25Å; L104-F216 HydrophobicContact CD1-CE1 4.37Å; L104-F216 HydrophobicContact CD2-CE1 3.98Å; L104-F216 HydrophobicContact CG-CE1 4.38Å; L104-A327 HydrophobicContact CD1-CB 4.07Å; L104-T345 HydrophobicContact CD1-CG2 3.56Å
105	Q	87.1	Confident	86.3	Confident	87 Å²	87	57.7 Å²	57.7	41%	0.407	32%	0.323	S	S	.	.	H	α-helix	trans	-79.1	-32.8	179	-63.6	-49.5	-55.2	0	0	114	F101 E102 E103	F101-Q105 HydrophobicContact CD1-CG 3.95Å; F101-Q105 HydrophobicContact CE1-CG 3.46Å; F101-Q105 VanDerWaalsContact CE1-CG 3.46Å; F101-Q105 HydrophobicContact CE2-CG 4.41Å; F101-Q105 HydrophobicContact CZ-CG 3.73Å; F101-Q105 WeakPolarHBondContact O-CG 3.44Å; F101-Q105 PolarHBondContact O-N 3.17Å; E102-Q105 PolarHBondContact O-N 3.37Å; E103-Q105 VanDerWaalsContact C-N 3.27Å; E103-Q105 PolarHBondContact O-N 2.94Å
106	T	83.3	Confident	86.2	Confident	119 Å²	119	57.3 Å²	57.3	73%	0.73	33%	0.327	S	S	*	.	H	α-helix	trans	-88.5	-25.1	-171.4	49.3	0	0	0	0	114	E102 E103	E102-T106 WeakPolarHBondContact O-CB 3.47Å; E102-T106 WeakPolarHBondContact O-CG2 3.45Å; E102-T106 PolarHBondContact O-N 3.33Å; E102-T106 PolarHBondContact O-OG1 3.38Å; E103-T106 PolarHBondContact O-N 2.73Å; E103-T106 PolarHBondContact O-OG1 2.65Å
107	S	71.2	Confident	86.2	Confident	41 Å²	41	54.7 Å²	54.7	29%	0.287	32%	0.319	S	S	.	.	S	Bend	trans	-81.5	145.5	-177.2	85.8	0	0	0	0	113.1	E103 L109 A111	E103-S107 PolarHBondContact O-N 3.4Å; S107-L109 PolarHBondContact O-N 3.35Å; S107-A111 WeakPolarHBondContact OG-CA 3.31Å; S107-A111 WeakPolarHBondContact OG-CB 3.26Å; S107-A111 PolarHBondContact OG-N 3.3Å
108	S	64.4	Low	86.2	Confident	109 Å²	109	56.4 Å²	56.4	76%	0.762	33%	0.326	S	S	*	.	S	Bend	trans	-81.8	105.9	168.6	45.4	0	0	0	0	110.4	S110	S108-S110 PolarHBondContact O-N 2.88Å
109	L	58	Low	86.1	Confident	157 Å²	157	56 Å²	56	82%	0.822	32%	0.324	S	S	*	.	S	Bend	trans	57.3	-30.9	174.6	-67.5	166.9	0	0	0	117.4	S107 S112	S107-L109 PolarHBondContact O-N 3.35Å; L109-S112 PolarHBondContact O-N 2.85Å; L109-S112 PolarHBondContact O-OG 3.37Å
110	S	62.3	Low	86.2	Confident	86 Å²	86	55.5 Å²	55.5	60%	0.601	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.4	-172.9	63.2	0	0	0	0	113.8	S108 R214	S108-S110 PolarHBondContact O-N 2.88Å; S110-R214 PolarHBondContact O-NH1 3.37Å
111	A	73.1	Confident	86.3	Confident	7 Å²	7	55 Å²	55	6%	0.058	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.4	171.7	0	0	0	0	0	113.8	L104 S107 F113	L104-A111 HydrophobicContact CD2-CB 4.07Å; L104-A111 WeakPolarHBondContact CD2-O 3.42Å; S107-A111 WeakPolarHBondContact OG-CA 3.31Å; S107-A111 WeakPolarHBondContact OG-CB 3.26Å; S107-A111 PolarHBondContact OG-N 3.3Å; A111-F113 PolarHBondContact O-N 3.24Å
112	S	89.4	Confident	86.5	Confident	66 Å²	66	54.9 Å²	54.9	46%	0.462	32%	0.317	S	S	.	.	S	Bend	trans	-54	138.5	-178.3	64.4	0	0	0	0	111.3	L109 R214	L109-S112 PolarHBondContact O-N 2.85Å; L109-S112 PolarHBondContact O-OG 3.37Å; S112-R214 PolarHBondContact O-NH2 3.29Å
113	F	94.4	Very high	86.7	Confident	13 Å²	13	52 Å²	52	6%	0.057	30%	0.303	C	S	.	.			trans	-68.8	131.4	178.8	173.4	-102.8	0	0	0	110.3	A111 D119 L121 W173 F216 F346 L348	A111-F113 PolarHBondContact O-N 3.24Å; F113-D119 HydrophobicContact CD2-CB 3.82Å; F113-D119 HydrophobicContact CE2-CB 3.72Å; F113-L121 HydrophobicContact CE2-CB 4.08Å; F113-L121 HydrophobicContact CZ-CB 4.02Å; F113-W173 HydrophobicContact CE1-CE3 4.34Å; F113-W173 AromaticContact CZ-CE3 3.95Å; F113-W173 HydrophobicContact CZ-CE3 3.95Å; F113-F216 HydrophobicContact CB-CD1 4.48Å; F113-F216 HydrophobicContact CB-CE1 4.21Å; F113-F216 HydrophobicContact CB-CZ 4.33Å; F113-F216 HydrophobicContact CD2-CD1 4.3Å; F113-F216 AromaticContact CD2-CD2 3.54Å; F113-F216 HydrophobicContact CD2-CD2 3.54Å; F113-F216 HydrophobicContact CD2-CE1 4.41Å; F113-F216 AromaticContact CD2-CE2 3.7Å; F113-F216 HydrophobicContact CD2-CE2 3.7Å; F113-F216 AromaticContact CD2-CG 3.86Å; F113-F216 HydrophobicContact CD2-CG 3.86Å; F113-F216 HydrophobicContact CD2-CZ 4.13Å; F113-F216 HydrophobicContact CE2-CD2 4.02Å; F113-F216 HydrophobicContact CE2-CE2 4.4Å; F113-F346 HydrophobicContact CB-CD1 3.68Å; F113-F346 HydrophobicContact CB-CE1 4.41Å; F113-F346 HydrophobicContact CD1-CD1 4.22Å; F113-F346 HydrophobicContact CD2-CD1 4.47Å; F113-F346 AromaticContact CG-CD1 3.87Å; F113-F346 HydrophobicContact CG-CD1 3.87Å; F113-F346 HydrophobicContact CG-CE1 4.49Å; F113-L348 HydrophobicContact CD1-CD1 4.11Å; F113-L348 HydrophobicContact CE1-CD1 4.19Å
114	N	94.1	Very high	87	Confident	65 Å²	65	47.7 Å²	47.7	35%	0.348	28%	0.283	S	S	.	.			trans	-129.8	102.7	-180	-170.6	-22.9	0	0	0	111.9	A116 T117 D119	N114-A116 PolarHBondContact O-N 2.73Å; N114-A116 WeakPolarHBondContact OD1-CA 3.46Å; N114-A116 VanDerWaalsContact OD1-CB 3.32Å; N114-A116 WeakPolarHBondContact OD1-CB 3.43Å; N114-A116 PolarHBondContact OD1-N 3.42Å; N114-T117 HydrophobicContact CB-CG2 3.91Å; N114-T117 WeakPolarHBondContact ND2-CG2 3.47Å; N114-T117 PolarHBondContact O-N 3.3Å; N114-T117 VanDerWaalsContact O-N 3.08Å; N114-T117 PolarHBondContact O-OG1 2.82Å; N114-D119 PolarHBondContact N-OD2 3.1Å
115	Y	93.4	Very high	87.3	Confident	55 Å²	55	47.2 Å²	47.2	22%	0.216	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.1	178.3	53.8	-97.1	0	0	0	114.1	L144 P145 R161 P162 L348	Y115-L144 HydrophobicContact CD1-CD2 4.2Å; Y115-L144 HydrophobicContact CE1-CD2 4.26Å; Y115-P145 WeakPolarHBondContact OH-CD 3.11Å; Y115-P145 VanDerWaalsContact OH-CG 3.23Å; Y115-P145 WeakPolarHBondContact OH-CG 3.36Å; Y115-R161 PolarHBondContact O-NH1 3.14Å; Y115-P162 HydrophobicContact CD2-CG 3.59Å; Y115-P162 HydrophobicContact CE2-CG 3.64Å; Y115-L348 HydrophobicContact CD1-CD2 4.15Å; Y115-L348 HydrophobicContact CE1-CD2 4.12Å
116	A	91.8	Very high	87.8	Confident	36 Å²	36	43.1 Å²	43.1	30%	0.298	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-15	176.9	0	0	0	0	0	114.3	N114 P162 Q163	N114-A116 PolarHBondContact O-N 2.73Å; N114-A116 WeakPolarHBondContact OD1-CA 3.46Å; N114-A116 VanDerWaalsContact OD1-CB 3.32Å; N114-A116 WeakPolarHBondContact OD1-CB 3.43Å; N114-A116 PolarHBondContact OD1-N 3.42Å; A116-P162 HydrophobicContact CB-CG 4.1Å; A116-Q163 PolarHBondContact O-NE2 2.77Å; A116-Q163 PolarHBondContact O-OE1 3.01Å
117	T	91.9	Very high	88.5	Confident	58 Å²	58	37.9 Å²	37.9	36%	0.356	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-149.1	177.7	66.5	0	0	0	0	110.6	N114 D119 R161	N114-T117 HydrophobicContact CB-CG2 3.91Å; N114-T117 WeakPolarHBondContact ND2-CG2 3.47Å; N114-T117 PolarHBondContact O-N 3.3Å; N114-T117 VanDerWaalsContact O-N 3.08Å; N114-T117 PolarHBondContact O-OG1 2.82Å; T117-D119 VanDerWaalsContact C-N 3.34Å; T117-D119 PolarHBondContact OG1-N 2.82Å; T117-R161 VanDerWaalsContact O-CD 3.32Å; T117-R161 WeakPolarHBondContact O-CD 3.38Å; T117-R161 PolarHBondContact O-NE 3.39Å; T117-R161 PolarHBondContact O-NH1 2.88Å
118	N	92.8	Very high	89.6	Confident	67 Å²	67	38.1 Å²	38.1	36%	0.358	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.6	175	-73.6	-10.7	0	0	0	113	R161 K212 R213	N118-R161 PolarHBondContact O-NH2 2.85Å; N118-K212 VanDerWaalsContact CB-O 3.23Å; N118-K212 WeakPolarHBondContact CB-O 3.31Å; N118-K212 PolarHBondContact ND2-O 3.33Å; N118-R213 HydrophobicContact CB-CG 4.19Å; N118-R213 WeakPolarHBondContact O-CB 3.38Å; N118-R213 WeakPolarHBondContact O-CG 3.34Å
119	D	96.2	Very high	91.1	Very high	6 Å²	6	33 Å²	33	3%	0.032	19%	0.188	C	C	.	.			trans	-65.2	143.6	178.9	-65.4	-12.2	0	0	0	111.1	F113 N114 T117 R161 R214 F216	F113-D119 HydrophobicContact CD2-CB 3.82Å; F113-D119 HydrophobicContact CE2-CB 3.72Å; N114-D119 PolarHBondContact N-OD2 3.1Å; T117-D119 VanDerWaalsContact C-N 3.34Å; T117-D119 PolarHBondContact OG1-N 2.82Å; D119-R161 PolarHBondContact O-NH1 3.19Å; D119-R161 PolarHBondContact O-NH2 2.88Å; D119-R214 WeakPolarHBondContact CA-O 3.21Å; D119-R214 IonicContact OD1-CZ 3.01Å; D119-R214 IonicContact OD1-NE 2.89Å; D119-R214 PolarHBondContact OD1-NE 2.87Å; D119-R214 IonicContact OD1-NH2 2.75Å; D119-R214 PolarHBondContact OD1-NH2 3.17Å; D119-R214 IonicContact OD2-CZ 3.5Å; D119-R214 IonicContact OD2-NE 3.25Å; D119-R214 IonicContact OD2-NH2 3.59Å; D119-R214 PolarHBondContact OD2-NH2 2.77Å; D119-F216 HydrophobicContact CB-CD2 4.29Å; D119-F216 HydrophobicContact CB-CE2 3.7Å
120	V	97.6	Very high	92.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.8	179.7	177.8	0	0	0	0	109.6	V122 W173 F175 F203 R214 Y215 F216	V120-V122 HydrophobicContact CG1-CG2 3.86Å; V120-W173 CarbonylContact C-O 3.45Å; V120-W173 WeakPolarHBondContact CA-O 3.39Å; V120-F175 HydrophobicContact CG1-CB 4.17Å; V120-F203 HydrophobicContact CB-CE2 4.37Å; V120-F203 HydrophobicContact CG1-CD2 4.37Å; V120-F203 HydrophobicContact CG1-CE2 3.44Å; V120-F203 VanDerWaalsContact CG1-CE2 3.44Å; V120-F203 HydrophobicContact CG1-CZ 3.66Å; V120-F203 HydrophobicContact CG2-CD2 4.32Å; V120-F203 HydrophobicContact CG2-CE1 4.5Å; V120-F203 HydrophobicContact CG2-CE2 4.01Å; V120-F203 HydrophobicContact CG2-CZ 4.1Å; V120-R214 PolarHBondContact N-O 3.38Å; V120-Y215 HydrophobicContact CB-CD1 3.83Å; V120-Y215 HydrophobicContact CB-CE1 3.95Å; V120-Y215 HydrophobicContact CG1-CD1 4.13Å; V120-Y215 HydrophobicContact CG1-CE1 4.22Å; V120-Y215 HydrophobicContact CG2-CE1 4.16Å; V120-F216 PolarHBondContact O-N 3.09Å
121	L	98.2	Very high	94.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124.4	166.6	-167.4	126	0	0	0	109.1	F113 L138 W173 L174 F175 T218 F342 F346	F113-L121 HydrophobicContact CE2-CB 4.08Å; F113-L121 HydrophobicContact CZ-CB 4.02Å; L121-L138 HydrophobicContact CD2-CD1 3.95Å; L121-W173 HydrophobicContact CB-CE3 4.49Å; L121-W173 PolarHBondContact N-O 3.39Å; L121-L174 HydrophobicContact CB-CD1 4.17Å; L121-L174 HydrophobicContact CD2-CD1 3.39Å; L121-L174 HydrophobicContact CG-CD1 4.39Å; L121-F175 PolarHBondContact O-N 3.35Å; L121-T218 HydrophobicContact CD1-CG2 4.23Å; L121-T218 HydrophobicContact CG-CG2 4.25Å; L121-F342 HydrophobicContact CD1-CE2 4.04Å; L121-F342 HydrophobicContact CD1-CZ 4.15Å; L121-F346 HydrophobicContact CD1-CD1 3.99Å; L121-F346 HydrophobicContact CD1-CD2 4.43Å; L121-F346 HydrophobicContact CD1-CE1 3.63Å; L121-F346 HydrophobicContact CD1-CE2 4.1Å; L121-F346 HydrophobicContact CD1-CG 4.39Å; L121-F346 HydrophobicContact CD1-CZ 3.69Å
122	V	98.5	Very high	95.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126	-178.2	-176.5	0	0	0	0	108.5	V120 F175 V199 Y215 F216 I217 T218	V120-V122 HydrophobicContact CG1-CG2 3.86Å; V122-F175 HydrophobicContact CG1-CB 4.49Å; V122-F175 HydrophobicContact CG1-CD1 4.06Å; V122-F175 HydrophobicContact CG2-CB 4.3Å; V122-V199 HydrophobicContact CG1-CG2 4.12Å; V122-V199 HydrophobicContact CG2-CG1 3.93Å; V122-Y215 HydrophobicContact CG2-CD1 3.91Å; V122-F216 PolarHBondContact N-O 3.24Å; V122-I217 HydrophobicContact CB-CG1 4.36Å; V122-I217 CarbonylContact O-C 3.28Å; V122-T218 PolarHBondContact O-N 2.98Å; V122-T218 PolarHBondContact O-OG1 3.32Å
123	F	98.6	Very high	95.4	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.1	174.5	-169.3	-99.7	0	0	0	111.2	H125 F134 E135 F175 T218 F220	F123-H125 HydrophobicContact CD1-CB 4.1Å; F123-H125 HydrophobicContact CE1-CB 4.01Å; F123-H125 AromaticContact CE1-ND1 3.86Å; F123-H125 PolarHBondContact O-N 2.85Å; F123-F134 AromaticContact CD2-CD1 3.76Å; F123-F134 HydrophobicContact CD2-CD1 3.76Å; F123-F134 AromaticContact CD2-CE1 3.73Å; F123-F134 HydrophobicContact CD2-CE1 3.73Å; F123-F134 AromaticContact CE2-CD1 3.3Å; F123-F134 HydrophobicContact CE2-CD1 3.3Å; F123-F134 AromaticContact CE2-CE1 3.61Å; F123-F134 HydrophobicContact CE2-CE1 3.61Å; F123-F134 HydrophobicContact CE2-CG 4.44Å; F123-F134 AromaticContact CZ-CD1 3.94Å; F123-F134 HydrophobicContact CZ-CD1 3.94Å; F123-E135 HydrophobicContact CB-CG 4.44Å; F123-E135 HydrophobicContact CD1-CG 3.32Å; F123-E135 HydrophobicContact CD2-CG 4.46Å; F123-E135 HydrophobicContact CE1-CG 3.59Å; F123-E135 HydrophobicContact CG-CG 3.81Å; F123-E135 HydrophobicContact CZ-CG 4.29Å; F123-F175 PolarHBondContact N-O 2.9Å; F123-T218 WeakPolarHBondContact CA-O 3.07Å; F123-T218 WeakPolarHBondContact CD2-OG1 3.31Å; F123-F220 HydrophobicContact CE2-CD2 4.04Å; F123-F220 HydrophobicContact CZ-CB 4.42Å; F123-F220 HydrophobicContact CZ-CD2 4.26Å
124	L	98.6	Very high	95.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	109.9	171.6	-171.1	164.3	0	0	0	108.5	I126 W190 L193 T218 T219 M291 M326	L124-I126 HydrophobicContact CD2-CD1 4.1Å; L124-I126 HydrophobicContact CD2-CG1 3.42Å; L124-I126 VanDerWaalsContact CD2-CG1 3.42Å; L124-I126 PolarHBondContact O-N 3.02Å; L124-W190 HydrophobicContact CD1-CB 4.07Å; L124-W190 HydrophobicContact CD1-CE3 4.36Å; L124-L193 HydrophobicContact CB-CD1 3.97Å; L124-L193 HydrophobicContact CD1-CD1 4.41Å; L124-L193 HydrophobicContact CG-CD1 3.87Å; L124-T218 PolarHBondContact N-O 3.22Å; L124-T219 PolarHBondContact O-OG1 3.35Å; L124-M291 HydrophobicContact CD2-CB 4.45Å; L124-M291 HydrophobicContact CD2-CE 4.23Å; L124-M326 HydrophobicContact CD1-CE 4.07Å
125	H	98.2	Very high	95.6	Very high	11 Å²	11	18.1 Å²	18.1	5%	0.051	10%	0.103	C	C	.	.			trans	-92.2	93.9	-173.3	-168.3	116.7	0	0	0	112.5	F123 T132 E135 W182 H187 M291	F123-H125 HydrophobicContact CD1-CB 4.1Å; F123-H125 HydrophobicContact CE1-CB 4.01Å; F123-H125 AromaticContact CE1-ND1 3.86Å; F123-H125 PolarHBondContact O-N 2.85Å; H125-T132 PolarHBondContact CE1-N 2.76Å; H125-T132 PolarHBondContact CE1-OG1 3.25Å; H125-E135 IonicContact CE1-OE1 3.4Å; H125-E135 PolarHBondContact CE1-OE1 3.31Å; H125-E135 VanDerWaalsContact CE1-OE1 3.25Å; H125-E135 IonicContact CG-OE1 3.17Å; H125-E135 IonicContact ND1-OE1 2.96Å; H125-E135 PolarHBondContact ND1-OE1 3.46Å; H125-W182 HydrophobicContact CB-CH2 3.76Å; H125-W182 HydrophobicContact CB-CZ3 3.94Å; H125-W182 AromaticContact CG-CH2 3.72Å; H125-H187 AromaticContact CD2-CE1 3.29Å; H125-H187 PolarHBondContact CD2-CE1 2.95Å; H125-H187 AromaticContact CD2-ND1 3.3Å; H125-H187 PolarHBondContact CD2-ND1 3.3Å; H125-H187 VanDerWaalsContact CD2-ND1 3.3Å; H125-H187 AromaticContact NE2-CE1 3.66Å; H125-H187 PolarHBondContact O-ND1 3.15Å; H125-H187 VanDerWaalsContact O-ND1 3.12Å; H125-M291 WeakPolarHBondContact O-CE 3.01Å
126	I	98.4	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.			trans	-75.2	136.2	170.5	-50.2	-179.5	0	0	0	110.2	L124 K128 T129 R287 Q288 M291 L292	L124-I126 HydrophobicContact CD2-CD1 4.1Å; L124-I126 HydrophobicContact CD2-CG1 3.42Å; L124-I126 VanDerWaalsContact CD2-CG1 3.42Å; L124-I126 PolarHBondContact O-N 3.02Å; I126-K128 PolarHBondContact O-N 3.1Å; I126-T129 HydrophobicContact CB-CG2 3.83Å; I126-T129 HydrophobicContact CG2-CG2 3.62Å; I126-T129 PolarHBondContact O-OG1 3.05Å; I126-T129 VanDerWaalsContact O-OG1 3.07Å; I126-R287 HydrophobicContact CG2-CG 4.14Å; I126-Q288 HydrophobicContact CG2-CG 4.11Å; I126-M291 HydrophobicContact CD1-CB 4.19Å; I126-M291 HydrophobicContact CG1-CB 3.89Å; I126-M291 HydrophobicContact CG1-CG 4.5Å; I126-M291 HydrophobicContact CG2-CB 4.25Å; I126-M291 HydrophobicContact CG2-CG 4.16Å; I126-L292 HydrophobicContact CD1-CD1 4.24Å; I126-L292 HydrophobicContact CD1-CD2 3.99Å; I126-L292 HydrophobicContact CD1-CG 3.9Å
127	Q	96.6	Very high	95.9	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.042	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	134.2	-179.9	-67.8	80.9	-13	0	0	110.6	T129 H187 R287	Q127-T129 PolarHBondContact O-N 3.5Å; Q127-H187 VanDerWaalsContact CD-CG 3.49Å; Q127-H187 PolarHBondContact NE2-CD2 3.19Å; Q127-R287 HydrophobicContact CB-CG 4.48Å; Q127-R287 VanDerWaalsContact NE2-NH1 3.15Å; Q127-R287 VanDerWaalsContact OE1-CD 3.23Å
128	K	95.8	Very high	96.1	Very high	46 Å²	46	17.4 Å²	17.4	20%	0.2	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	17.4	169.3	-50.9	-56.7	-56.3	-165	0	116	I126 R222 R227 S230 E231 H234	I126-K128 PolarHBondContact O-N 3.1Å; K128-R222 WeakPolarHBondContact O-CD 3.43Å; K128-R222 PolarHBondContact O-NH1 3.3Å; K128-R227 HydrophobicContact CB-CG 4.14Å; K128-S230 WeakPolarHBondContact CE-O 3.48Å; K128-S230 WeakPolarHBondContact CE-OG 2.96Å; K128-S230 PolarHBondContact NZ-O 3.42Å; K128-S230 PolarHBondContact NZ-OG 3.15Å; K128-E231 HydrophobicContact CG-CB 3.77Å; K128-E231 HydrophobicContact CG-CG 4.21Å; K128-H234 HydrophobicContact CD-CB 4.38Å
129	T	96.1	Very high	96.3	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.07	C	C	.	.	S	Bend	trans	-98.6	10.6	177.7	62.3	0	0	0	0	115.1	I126 Q127 F220 R222 R227 Q288	I126-T129 HydrophobicContact CB-CG2 3.83Å; I126-T129 HydrophobicContact CG2-CG2 3.62Å; I126-T129 PolarHBondContact O-OG1 3.05Å; I126-T129 VanDerWaalsContact O-OG1 3.07Å; Q127-T129 PolarHBondContact O-N 3.5Å; T129-F220 WeakPolarHBondContact CB-O 3.4Å; T129-F220 WeakPolarHBondContact O-CB 3.45Å; T129-F220 PolarHBondContact OG1-O 3.42Å; T129-R222 HydrophobicContact CG2-CB 4.08Å; T129-R227 HydrophobicContact CG2-CG 4.09Å; T129-Q288 HydrophobicContact CG2-CG 4.28Å
130	G	92.1	Very high	96.2	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	9%	0.094	C	C	.	.	S	Bend	trans	92.9	-5.8	-179	0	0	0	0	0	115.9	T132 T133 F134	G130-T132 PolarHBondContact O-N 2.84Å; G130-T133 PolarHBondContact O-N 2.93Å; G130-F134 PolarHBondContact O-N 3.2Å
131	G	93.4	Very high	96.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-53.5	-32.9	-177.2	0	0	0	0	0	114.6	T133 F134 E135	G131-T133 VanDerWaalsContact C-N 3.31Å; G131-T133 PolarHBondContact O-N 3.43Å; G131-F134 PolarHBondContact O-N 3.48Å; G131-E135 WeakPolarHBondContact O-CB 3.43Å; G131-E135 VanDerWaalsContact O-CG 3.3Å; G131-E135 WeakPolarHBondContact O-CG 3.49Å; G131-E135 PolarHBondContact O-N 2.85Å
132	T	93.2	Very high	96	Very high	38 Å²	38	24.1 Å²	24.1	23%	0.233	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-37.6	175.5	-66.9	0	0	0	0	112.9	H125 G130 R136 R177 F178	H125-T132 PolarHBondContact CE1-N 2.76Å; H125-T132 PolarHBondContact CE1-OG1 3.25Å; G130-T132 PolarHBondContact O-N 2.84Å; T132-R136 VanDerWaalsContact CG2-CZ 3.41Å; T132-R136 VanDerWaalsContact O-CG 3.27Å; T132-R136 WeakPolarHBondContact O-CG 3.36Å; T132-R136 PolarHBondContact O-N 2.74Å; T132-R177 PolarHBondContact OG1-NH1 2.75Å; T132-F178 HydrophobicContact CG2-CE2 4.13Å; T132-F178 HydrophobicContact CG2-CZ 4.07Å
133	T	93.3	Very high	95.9	Very high	27 Å²	27	28.6 Å²	28.6	17%	0.166	13%	0.133	C	C	.	.	H	α-helix	trans	-71.9	-52	176.9	-67.4	0	0	0	0	109.5	G130 G131 E135 R136 Y137 M357	G130-T133 PolarHBondContact O-N 2.93Å; G131-T133 VanDerWaalsContact C-N 3.31Å; G131-T133 PolarHBondContact O-N 3.43Å; T133-E135 PolarHBondContact O-N 2.66Å; T133-R136 WeakPolarHBondContact O-CB 3.08Å; T133-R136 PolarHBondContact O-N 2.78Å; T133-R136 VanDerWaalsContact O-N 3.1Å; T133-Y137 HydrophobicContact CG2-CD2 4.16Å; T133-Y137 HydrophobicContact CG2-CE2 3.97Å; T133-Y137 WeakPolarHBondContact O-CD2 3.28Å; T133-Y137 PolarHBondContact O-N 3.01Å; T133-Y137 VanDerWaalsContact O-N 3.15Å; T133-M357 HydrophobicContact CG2-CE 4.05Å; T133-M357 HydrophobicContact CG2-SD 4.08Å; T133-M357 WeakPolarHBondContact OG1-CE 3.33Å; T133-M357 PolarHBondContact OG1-SD 2.95Å
134	F	95.5	Very high	95.7	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-46.9	-180	178.4	-108.9	0	0	0	113.2	F123 G130 G131 R136 Y137 L138 F220 F328 F342 F350 M354	F123-F134 AromaticContact CD2-CD1 3.76Å; F123-F134 HydrophobicContact CD2-CD1 3.76Å; F123-F134 AromaticContact CD2-CE1 3.73Å; F123-F134 HydrophobicContact CD2-CE1 3.73Å; F123-F134 AromaticContact CE2-CD1 3.3Å; F123-F134 HydrophobicContact CE2-CD1 3.3Å; F123-F134 AromaticContact CE2-CE1 3.61Å; F123-F134 HydrophobicContact CE2-CE1 3.61Å; F123-F134 HydrophobicContact CE2-CG 4.44Å; F123-F134 AromaticContact CZ-CD1 3.94Å; F123-F134 HydrophobicContact CZ-CD1 3.94Å; G130-F134 PolarHBondContact O-N 3.2Å; G131-F134 PolarHBondContact O-N 3.48Å; F134-R136 VanDerWaalsContact C-N 3.28Å; F134-R136 PolarHBondContact O-N 3.08Å; F134-Y137 WeakPolarHBondContact O-CA 3.41Å; F134-Y137 WeakPolarHBondContact O-CB 3.22Å; F134-Y137 PolarHBondContact O-N 3.46Å; F134-L138 HydrophobicContact CD1-CD1 3.96Å; F134-L138 HydrophobicContact CD1-CG 4.2Å; F134-L138 HydrophobicContact CE1-CD1 3.52Å; F134-L138 HydrophobicContact CE1-CD2 4.14Å; F134-L138 HydrophobicContact CE1-CG 3.84Å; F134-L138 HydrophobicContact CE2-CD2 4.42Å; F134-L138 HydrophobicContact CZ-CD1 4.12Å; F134-L138 HydrophobicContact CZ-CD2 3.86Å; F134-L138 HydrophobicContact CZ-CG 4.02Å; F134-L138 PolarHBondContact O-N 3.16Å; F134-F220 HydrophobicContact CB-CD2 3.81Å; F134-F220 HydrophobicContact CB-CE2 3.64Å; F134-F220 HydrophobicContact CB-CZ 4.29Å; F134-F220 AromaticContact CD1-CD2 3.75Å; F134-F220 HydrophobicContact CD1-CD2 3.75Å; F134-F220 AromaticContact CD1-CE2 3.6Å; F134-F220 HydrophobicContact CD1-CE2 3.6Å; F134-F220 HydrophobicContact CD2-CD2 4.14Å; F134-F220 AromaticContact CD2-CE2 3.21Å; F134-F220 HydrophobicContact CD2-CE2 3.21Å; F134-F220 AromaticContact CD2-CZ 3.75Å; F134-F220 HydrophobicContact CD2-CZ 3.75Å; F134-F220 HydrophobicContact CE1-CD2 4.28Å; F134-F220 AromaticContact CE1-CE2 3.94Å; F134-F220 HydrophobicContact CE1-CE2 3.94Å; F134-F220 AromaticContact CE2-CE2 3.62Å; F134-F220 HydrophobicContact CE2-CE2 3.62Å; F134-F220 HydrophobicContact CE2-CZ 4.23Å; F134-F220 AromaticContact CG-CD2 3.63Å; F134-F220 HydrophobicContact CG-CD2 3.63Å; F134-F220 AromaticContact CG-CE2 3.18Å; F134-F220 HydrophobicContact CG-CE2 3.18Å; F134-F220 HydrophobicContact CG-CZ 4.05Å; F134-F220 AromaticContact CZ-CE2 3.95Å; F134-F220 HydrophobicContact CZ-CE2 3.95Å; F134-F328 HydrophobicContact CE1-CE1 4.48Å; F134-F328 HydrophobicContact CE2-CE1 4.25Å; F134-F328 HydrophobicContact CZ-CD1 4.47Å; F134-F328 AromaticContact CZ-CE1 3.89Å; F134-F328 HydrophobicContact CZ-CE1 3.89Å; F134-F342 HydrophobicContact CE2-CD2 4.1Å; F134-F342 HydrophobicContact CE2-CE2 4.49Å; F134-F342 HydrophobicContact CE2-CG 4.29Å; F134-F342 AromaticContact CZ-CD2 3.56Å; F134-F342 HydrophobicContact CZ-CD2 3.56Å; F134-F342 AromaticContact CZ-CE2 3.68Å; F134-F342 HydrophobicContact CZ-CE2 3.68Å; F134-F342 HydrophobicContact CZ-CG 4.2Å; F134-F342 HydrophobicContact CZ-CZ 4.41Å; F134-F350 HydrophobicContact CE2-CZ 4.07Å; F134-M354 HydrophobicContact CD2-CE 3.49Å; F134-M354 VanDerWaalsContact CD2-CE 3.49Å; F134-M354 HydrophobicContact CD2-SD 3.95Å; F134-M354 HydrophobicContact CE2-CE 3.77Å
135	E	96.7	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-32.5	178.8	-71.6	-178.3	-80.3	0	0	113	F123 H125 G131 T133 Y137 L138 V139 S176 R177 F178	F123-E135 HydrophobicContact CB-CG 4.44Å; F123-E135 HydrophobicContact CD1-CG 3.32Å; F123-E135 HydrophobicContact CD2-CG 4.46Å; F123-E135 HydrophobicContact CE1-CG 3.59Å; F123-E135 HydrophobicContact CG-CG 3.81Å; F123-E135 HydrophobicContact CZ-CG 4.29Å; H125-E135 IonicContact CE1-OE1 3.4Å; H125-E135 PolarHBondContact CE1-OE1 3.31Å; H125-E135 VanDerWaalsContact CE1-OE1 3.25Å; H125-E135 IonicContact CG-OE1 3.17Å; H125-E135 IonicContact ND1-OE1 2.96Å; H125-E135 PolarHBondContact ND1-OE1 3.46Å; G131-E135 WeakPolarHBondContact O-CB 3.43Å; G131-E135 VanDerWaalsContact O-CG 3.3Å; G131-E135 WeakPolarHBondContact O-CG 3.49Å; G131-E135 PolarHBondContact O-N 2.85Å; T133-E135 PolarHBondContact O-N 2.66Å; E135-Y137 VanDerWaalsContact C-N 3.29Å; E135-L138 WeakPolarHBondContact O-CB 3.34Å; E135-L138 PolarHBondContact O-N 3.27Å; E135-V139 VanDerWaalsContact O-CG2 3.26Å; E135-V139 WeakPolarHBondContact O-CG2 3.49Å; E135-V139 PolarHBondContact O-N 3.01Å; E135-S176 VanDerWaalsContact OE2-CB 3.22Å; E135-S176 WeakPolarHBondContact OE2-CB 3.31Å; E135-R177 VanDerWaalsContact OE2-CB 3.28Å; E135-R177 WeakPolarHBondContact OE2-CB 3.3Å; E135-R177 PolarHBondContact OE2-N 2.8Å; E135-F178 HydrophobicContact CB-CD2 3.51Å; E135-F178 HydrophobicContact CB-CE2 4.14Å; E135-F178 HydrophobicContact CB-CG 4.43Å; E135-F178 HydrophobicContact CG-CD2 4.44Å
136	R	95.3	Very high	95.1	Very high	107 Å²	107	34.9 Å²	34.9	40%	0.404	18%	0.175	S	C	.	.	H	α-helix	trans	-65.9	-35.2	172.8	-75.5	174.1	-173.7	145.4	-1.3	111.5	T132 T133 F134 R140 F178	T132-R136 VanDerWaalsContact CG2-CZ 3.41Å; T132-R136 VanDerWaalsContact O-CG 3.27Å; T132-R136 WeakPolarHBondContact O-CG 3.36Å; T132-R136 PolarHBondContact O-N 2.74Å; T133-R136 WeakPolarHBondContact O-CB 3.08Å; T133-R136 PolarHBondContact O-N 2.78Å; T133-R136 VanDerWaalsContact O-N 3.1Å; F134-R136 VanDerWaalsContact C-N 3.28Å; F134-R136 PolarHBondContact O-N 3.08Å; R136-R140 VanDerWaalsContact O-CB 3.28Å; R136-R140 WeakPolarHBondContact O-CB 3.39Å; R136-R140 PolarHBondContact O-N 2.82Å; R136-R140 VanDerWaalsContact O-N 3.1Å; R136-F178 HydrophobicContact CG-CD1 4.43Å; R136-F178 HydrophobicContact CG-CE1 4.02Å; R136-F178 HydrophobicContact CG-CE2 4.08Å; R136-F178 HydrophobicContact CG-CZ 3.82Å
137	Y	96.2	Very high	94.9	Very high	25 Å²	25	39.1 Å²	39.1	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-45.6	172	-85.5	-107.5	0	0	0	110.6	T133 F134 E135 V139 R140 Q141 L142 F350 K352 P353 M354	T133-Y137 HydrophobicContact CG2-CD2 4.16Å; T133-Y137 HydrophobicContact CG2-CE2 3.97Å; T133-Y137 WeakPolarHBondContact O-CD2 3.28Å; T133-Y137 PolarHBondContact O-N 3.01Å; T133-Y137 VanDerWaalsContact O-N 3.15Å; F134-Y137 WeakPolarHBondContact O-CA 3.41Å; F134-Y137 WeakPolarHBondContact O-CB 3.22Å; F134-Y137 PolarHBondContact O-N 3.46Å; E135-Y137 VanDerWaalsContact C-N 3.29Å; Y137-V139 VanDerWaalsContact C-N 3.3Å; Y137-V139 PolarHBondContact O-N 3.46Å; Y137-R140 PolarHBondContact O-N 3.49Å; Y137-Q141 HydrophobicContact CD1-CB 3.74Å; Y137-Q141 HydrophobicContact CD1-CG 3.84Å; Y137-Q141 HydrophobicContact CE1-CB 4.4Å; Y137-Q141 HydrophobicContact CE1-CG 4.2Å; Y137-Q141 HydrophobicContact CG-CB 4.19Å; Y137-Q141 HydrophobicContact CG-CG 4.1Å; Y137-Q141 CarbonylContact O-C 3.57Å; Y137-Q141 WeakPolarHBondContact O-CA 3.38Å; Y137-Q141 WeakPolarHBondContact O-CB 3.23Å; Y137-Q141 PolarHBondContact O-N 3.44Å; Y137-L142 PolarHBondContact O-N 3.23Å; Y137-F350 HydrophobicContact CD1-CD1 4.23Å; Y137-K352 HydrophobicContact CE1-CB 3.99Å; Y137-K352 HydrophobicContact CE1-CD 4.5Å; Y137-K352 HydrophobicContact CE1-CG 4.25Å; Y137-K352 VanDerWaalsContact CE1-O 3.3Å; Y137-K352 WeakPolarHBondContact CE1-O 3.44Å; Y137-P353 PolarHBondContact OH-O 3.14Å; Y137-P353 VanDerWaalsContact OH-O 3.08Å; Y137-M354 HydrophobicContact CD1-CE 3.97Å; Y137-M354 HydrophobicContact CD1-CG 3.7Å; Y137-M354 HydrophobicContact CD2-CG 4.4Å; Y137-M354 HydrophobicContact CE1-CG 3.73Å; Y137-M354 HydrophobicContact CE2-CG 4.41Å; Y137-M354 HydrophobicContact CG-CE 3.88Å; Y137-M354 HydrophobicContact CG-CG 4.06Å
138	L	96.8	Very high	94.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-54	-43.9	176.3	-70.4	179.7	0	0	0	112.9	L121 F134 E135 L142 L174 F342 F350	L121-L138 HydrophobicContact CD2-CD1 3.95Å; F134-L138 HydrophobicContact CD1-CD1 3.96Å; F134-L138 HydrophobicContact CD1-CG 4.2Å; F134-L138 HydrophobicContact CE1-CD1 3.52Å; F134-L138 HydrophobicContact CE1-CD2 4.14Å; F134-L138 HydrophobicContact CE1-CG 3.84Å; F134-L138 HydrophobicContact CE2-CD2 4.42Å; F134-L138 HydrophobicContact CZ-CD1 4.12Å; F134-L138 HydrophobicContact CZ-CD2 3.86Å; F134-L138 HydrophobicContact CZ-CG 4.02Å; F134-L138 PolarHBondContact O-N 3.16Å; E135-L138 WeakPolarHBondContact O-CB 3.34Å; E135-L138 PolarHBondContact O-N 3.27Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L174 HydrophobicContact CB-CD2 4.28Å; L138-L174 HydrophobicContact CD1-CD1 4.27Å; L138-F342 HydrophobicContact CD2-CE1 4.03Å; L138-F342 HydrophobicContact CD2-CE2 3.92Å; L138-F342 HydrophobicContact CD2-CZ 3.42Å; L138-F342 VanDerWaalsContact CD2-CZ 3.42Å; L138-F350 HydrophobicContact CD2-CE1 4.17Å; L138-F350 HydrophobicContact CD2-CZ 3.95Å
139	V	96.7	Very high	94.8	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-88.9	-12.9	-175.2	-62.5	0	0	0	0	115	E135 Y137 C148 C157 L174 F178	E135-V139 VanDerWaalsContact O-CG2 3.26Å; E135-V139 WeakPolarHBondContact O-CG2 3.49Å; E135-V139 PolarHBondContact O-N 3.01Å; Y137-V139 VanDerWaalsContact C-N 3.3Å; Y137-V139 PolarHBondContact O-N 3.46Å; V139-C148 WeakPolarHBondContact O-CB 3.4Å; V139-C157 HydrophobicContact CB-CB 4.06Å; V139-C157 HydrophobicContact CG1-CB 4.49Å; V139-L174 HydrophobicContact CG1-CD2 3.71Å; V139-F178 HydrophobicContact CG1-CB 3.88Å; V139-F178 HydrophobicContact CG2-CB 3.86Å; V139-F178 HydrophobicContact CG2-CG 4.49Å
140	R	95.4	Very high	94.7	Very high	140 Å²	140	44.7 Å²	44.7	53%	0.528	23%	0.234	S	C	.	.	H	α-helix	trans	-131	-22.6	-173.1	-65.2	174.1	179	-175.8	-2.4	115.3	R136 Y137	R136-R140 VanDerWaalsContact O-CB 3.28Å; R136-R140 WeakPolarHBondContact O-CB 3.39Å; R136-R140 PolarHBondContact O-N 2.82Å; R136-R140 VanDerWaalsContact O-N 3.1Å; Y137-R140 PolarHBondContact O-N 3.49Å
141	Q	95.7	Very high	94.5	Very high	62 Å²	62	49.8 Å²	49.8	29%	0.29	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-4.5	-172.1	-54.4	-55.4	-40.3	0	0	112.3	Y137 F350 N351 K352	Y137-Q141 HydrophobicContact CD1-CB 3.74Å; Y137-Q141 HydrophobicContact CD1-CG 3.84Å; Y137-Q141 HydrophobicContact CE1-CB 4.4Å; Y137-Q141 HydrophobicContact CE1-CG 4.2Å; Y137-Q141 HydrophobicContact CG-CB 4.19Å; Y137-Q141 HydrophobicContact CG-CG 4.1Å; Y137-Q141 CarbonylContact O-C 3.57Å; Y137-Q141 WeakPolarHBondContact O-CA 3.38Å; Y137-Q141 WeakPolarHBondContact O-CB 3.23Å; Y137-Q141 PolarHBondContact O-N 3.44Å; Q141-F350 HydrophobicContact CB-CD1 4.27Å; Q141-F350 CarbonylContact O-C 3.59Å; Q141-F350 VanDerWaalsContact O-CA 3.25Å; Q141-F350 WeakPolarHBondContact O-CA 3.36Å; Q141-N351 PolarHBondContact O-N 3.17Å; Q141-N351 PolarHBondContact O-ND2 2.76Å; Q141-K352 HydrophobicContact CG-CB 4.45Å
142	L	95.6	Very high	94.2	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.052	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.7	176.4	-162.9	67.8	0	0	0	110.1	Y137 L138 L144 W173 F342 L348 F350	Y137-L142 PolarHBondContact O-N 3.23Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L142-L144 HydrophobicContact CB-CD1 4.4Å; L142-L144 HydrophobicContact CB-CG 4.32Å; L142-L144 HydrophobicContact CD2-CD1 4Å; L142-L144 HydrophobicContact CD2-CD2 3.95Å; L142-L144 HydrophobicContact CD2-CG 4.06Å; L142-L144 HydrophobicContact CG-CD1 4.37Å; L142-L144 HydrophobicContact CG-CD2 4.16Å; L142-L144 HydrophobicContact CG-CG 4.03Å; L142-L144 PolarHBondContact O-N 3.2Å; L142-W173 HydrophobicContact CD2-CH2 3.7Å; L142-W173 HydrophobicContact CD2-CZ2 4.48Å; L142-W173 HydrophobicContact CD2-CZ3 4.37Å; L142-F342 HydrophobicContact CD1-CE1 4.05Å; L142-L348 HydrophobicContact CD1-CB 3.88Å; L142-L348 HydrophobicContact CD1-CD1 4.36Å; L142-L348 HydrophobicContact CD2-CD1 4.11Å; L142-F350 HydrophobicContact CB-CD1 4.37Å; L142-F350 HydrophobicContact CB-CE1 4.34Å; L142-F350 HydrophobicContact CD1-CD1 3.92Å; L142-F350 HydrophobicContact CD1-CE1 3.68Å; L142-F350 HydrophobicContact CD1-CG 4.45Å; L142-F350 HydrophobicContact CD1-CZ 4.03Å
143	D	94.9	Very high	93.9	Very high	94 Å²	94	64.2 Å²	64.2	50%	0.503	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	109.1	175.3	-169.8	15.8	0	0	0	109.6	R349 N351	D143-R349 HydrophobicContact CB-CB 4.46Å; D143-R349 WeakPolarHBondContact CB-O 3.27Å; D143-R349 PolarHBondContact N-O 3.15Å; D143-N351 WeakPolarHBondContact CB-OD1 3.24Å
144	L	94.6	Very high	93.6	Very high	13 Å²	13	71 Å²	71	7%	0.068	35%	0.348	C	S	.	.			trans	-135.3	140.9	-174.9	-66.3	173	0	0	0	108.9	Y115 L142 V146 P147 W173 L348	Y115-L144 HydrophobicContact CD1-CD2 4.2Å; Y115-L144 HydrophobicContact CE1-CD2 4.26Å; L142-L144 HydrophobicContact CB-CD1 4.4Å; L142-L144 HydrophobicContact CB-CG 4.32Å; L142-L144 HydrophobicContact CD2-CD1 4Å; L142-L144 HydrophobicContact CD2-CD2 3.95Å; L142-L144 HydrophobicContact CD2-CG 4.06Å; L142-L144 HydrophobicContact CG-CD1 4.37Å; L142-L144 HydrophobicContact CG-CD2 4.16Å; L142-L144 HydrophobicContact CG-CG 4.03Å; L142-L144 PolarHBondContact O-N 3.2Å; L144-V146 PolarHBondContact O-N 3.03Å; L144-V146 VanDerWaalsContact O-N 3.12Å; L144-P147 WeakPolarHBondContact O-CD 3.35Å; L144-W173 HydrophobicContact CD1-CH2 4.06Å; L144-W173 HydrophobicContact CD1-CZ2 3.41Å; L144-W173 VanDerWaalsContact CD1-CZ2 3.41Å; L144-L348 HydrophobicContact CD2-CD2 4.15Å
145	P	92.2	Very high	93.4	Very high	99 Å²	99	79.7 Å²	79.7	64%	0.643	39%	0.385	S	S	*	.	S	Bend	trans	-56.6	-30.9	172.6	-26.8	36.1	0	0	0	112.9	Y115	Y115-P145 WeakPolarHBondContact OH-CD 3.11Å; Y115-P145 VanDerWaalsContact OH-CG 3.23Å; Y115-P145 WeakPolarHBondContact OH-CG 3.36Å
146	V	92.8	Very high	93.2	Very high	39 Å²	39	85.8 Å²	85.8	24%	0.236	41%	0.409	C	S	.	.	S	Bend	trans	-123.8	97.6	171.2	-176.8	0	0	0	0	109	L144 P162	L144-V146 PolarHBondContact O-N 3.03Å; L144-V146 VanDerWaalsContact O-N 3.12Å; V146-P162 HydrophobicContact CG2-CB 3.97Å; V146-P162 HydrophobicContact CG2-CG 4.49Å
147	P	94.7	Very high	93.2	Very high	88 Å²	88	80.9 Å²	80.9	57%	0.571	39%	0.391	S	S	*	.			trans	-63.5	153.4	178.6	-24.4	34.8	0	0	0	113.2	L144 K149	L144-P147 WeakPolarHBondContact O-CD 3.35Å; P147-K149 PolarHBondContact O-N 3.29Å
148	C	95.2	Very high	93.1	Very high	17 Å²	17	83 Å²	83	12%	0.115	40%	0.404	C	S	.	.			trans	-64.2	135.2	174.1	-55.9	0	0	0	0	111.4	V139 C150 C157 L158 C159	V139-C148 WeakPolarHBondContact O-CB 3.4Å; C148-C150 PolarHBondContact O-N 2.87Å; C148-C157 HydrophobicContact CB-CB 4.16Å; C148-L158 CarbonylContact C-O 3.57Å; C148-L158 VanDerWaalsContact CA-O 3.24Å; C148-L158 WeakPolarHBondContact CA-O 3.45Å; C148-C159 HydrophobicContact CB-CB 4.09Å; C148-C159 WeakPolarHBondContact CB-SG 3.33Å; C148-C159 WeakPolarHBondContact SG-CA 2.97Å; C148-C159 WeakPolarHBondContact SG-CB 3.5Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 3.02Å
149	K	94	Very high	93.1	Very high	105 Å²	105	83 Å²	83	46%	0.457	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	100.7	-180	-65.1	178.3	179.8	176.4	0	110.5	P147 C157 L158 S165	P147-K149 PolarHBondContact O-N 3.29Å; K149-C157 WeakPolarHBondContact O-CA 3.36Å; K149-L158 HydrophobicContact CB-CB 4.36Å; K149-L158 PolarHBondContact N-O 3.47Å; K149-L158 PolarHBondContact O-N 3.16Å; K149-S165 PolarHBondContact NZ-O 2.83Å
150	C	93.8	Very high	92.9	Very high	51 Å²	51	83.7 Å²	83.7	35%	0.345	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105.4	176.8	-62.1	0	0	0	0	111.5	C148 C157	C148-C150 PolarHBondContact O-N 2.87Å; C150-C157 HydrophobicContact CB-CB 4.01Å; C150-C157 WeakPolarHBondContact CB-SG 3.25Å; C150-C157 WeakPolarHBondContact SG-CB 3.47Å; C150-C157 CovalentContact SG-SG 2.03Å; C150-C157 PolarHBondContact SG-SG 3Å
151	Q	88.8	Confident	92.9	Very high	122 Å²	122	77.2 Å²	77.2	57%	0.57	38%	0.384	S	S	*	.			trans	-80.3	140	177.4	-70.4	-179.3	-9.4	0	0	111.9	R154	Q151-R154 HydrophobicContact CB-CB 4.21Å; Q151-R154 HydrophobicContact CB-CG 3.86Å; Q151-R154 PolarHBondContact O-N 3.41Å
152	P	87.1	Confident	92.7	Very high	120 Å²	120	75.9 Å²	75.9	78%	0.779	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	144.7	169.1	-25.1	34.1	0	0	0	111.4	R154	P152-R154 PolarHBondContact O-N 3.23Å
153	K	85.8	Confident	92.4	Very high	221 Å²	221	80.5 Å²	80.5	96%	0.961	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-10	-177.3	-48.6	177.2	-179.7	179.7	0	115.8
154	R	88.8	Confident	92.1	Very high	170 Å²	170	77 Å²	77	64%	0.642	38%	0.383	S	S	*	.			trans	-89.7	133.1	170.7	-61.9	-68.1	-172.1	166.7	-1.1	109.5	Q151 P152 R156	Q151-R154 HydrophobicContact CB-CB 4.21Å; Q151-R154 HydrophobicContact CB-CG 3.86Å; Q151-R154 PolarHBondContact O-N 3.41Å; P152-R154 PolarHBondContact O-N 3.23Å; R154-R156 PolarHBondContact O-N 3Å
155	K	90	Very high	91.5	Very high	185 Å²	185	77.5 Å²	77.5	80%	0.804	39%	0.388	S	S	*	.	S	Bend	trans	-74.6	-15.2	174.4	-64.9	-176.1	-178.8	177.4	0	113.1	F178	K155-F178 WeakPolarHBondContact O-CD1 3.3Å
156	R	93.7	Very high	91	Very high	129 Å²	129	80 Å²	80	49%	0.487	40%	0.396	S	S	.	.			trans	-112.7	146.2	-176.6	-64.2	-175.2	-65.4	175.9	-2	111.4	R154 F178 T180	R154-R156 PolarHBondContact O-N 3Å; R156-F178 CarbonylContact C-O 3.6Å; R156-F178 VanDerWaalsContact CA-O 3.27Å; R156-F178 WeakPolarHBondContact CA-O 3.44Å; R156-T180 PolarHBondContact NH1-O 2.9Å
157	C	95.4	Very high	90.4	Very high	4 Å²	4	81 Å²	81	3%	0.027	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.3	171.9	-55.9	0	0	0	0	109.7	V139 C148 K149 C150 F178 S179	V139-C157 HydrophobicContact CB-CB 4.06Å; V139-C157 HydrophobicContact CG1-CB 4.49Å; C148-C157 HydrophobicContact CB-CB 4.16Å; K149-C157 WeakPolarHBondContact O-CA 3.36Å; C150-C157 HydrophobicContact CB-CB 4.01Å; C150-C157 WeakPolarHBondContact CB-SG 3.25Å; C150-C157 WeakPolarHBondContact SG-CB 3.47Å; C150-C157 CovalentContact SG-SG 2.03Å; C150-C157 PolarHBondContact SG-SG 3Å; C157-F178 PolarHBondContact N-O 3.25Å; C157-S179 WeakPolarHBondContact O-CA 3.4Å
158	L	93.8	Very high	89.5	Confident	70 Å²	70	82.5 Å²	82.5	37%	0.366	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	109.7	174.6	-89.8	166	0	0	0	110.3	C148 K149 S160	C148-L158 CarbonylContact C-O 3.57Å; C148-L158 VanDerWaalsContact CA-O 3.24Å; C148-L158 WeakPolarHBondContact CA-O 3.45Å; K149-L158 HydrophobicContact CB-CB 4.36Å; K149-L158 PolarHBondContact N-O 3.47Å; K149-L158 PolarHBondContact O-N 3.16Å; L158-S160 PolarHBondContact O-N 2.76Å
159	C	95.2	Very high	88.5	Confident	1 Å²	1	86.5 Å²	86.5	1%	0.007	43%	0.433	C	S	.	.			trans	-96.4	70.8	173.8	-62.8	0	0	0	0	110.2	C148 S172 W173 L174	C148-C159 HydrophobicContact CB-CB 4.09Å; C148-C159 WeakPolarHBondContact CB-SG 3.33Å; C148-C159 WeakPolarHBondContact SG-CA 2.97Å; C148-C159 WeakPolarHBondContact SG-CB 3.5Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 3.02Å; C159-S172 WeakPolarHBondContact O-CA 3.33Å; C159-S172 PolarHBondContact O-OG 2.97Å; C159-W173 HydrophobicContact CB-CZ2 3.8Å; C159-W173 VanDerWaalsContact O-CD1 3.25Å; C159-W173 PolarHBondContact O-N 3.42Å; C159-W173 PolarHBondContact O-NE1 3.04Å; C159-L174 HydrophobicContact CB-CB 3.98Å; C159-L174 HydrophobicContact CB-CD2 4.47Å
160	S	93.9	Very high	87.7	Confident	18 Å²	18	88 Å²	88	13%	0.126	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-69.9	152.6	-177.7	-61.7	0	0	0	0	112.2	L158 S171 W173	L158-S160 PolarHBondContact O-N 2.76Å; S160-S171 WeakPolarHBondContact CA-O 3.44Å; S160-W173 PolarHBondContact O-NE1 2.82Å
161	R	94	Very high	87.3	Confident	4 Å²	4	85.6 Å²	85.6	2%	0.015	42%	0.423	C	S	.	.			trans	-64.7	144.5	166.8	-56.4	-172.2	179.3	-70.8	2.4	109.7	Y115 T117 N118 D119 Q163 D164 S165 S171 W173	Y115-R161 PolarHBondContact O-NH1 3.14Å; T117-R161 VanDerWaalsContact O-CD 3.32Å; T117-R161 WeakPolarHBondContact O-CD 3.38Å; T117-R161 PolarHBondContact O-NE 3.39Å; T117-R161 PolarHBondContact O-NH1 2.88Å; N118-R161 PolarHBondContact O-NH2 2.85Å; D119-R161 PolarHBondContact O-NH1 3.19Å; D119-R161 PolarHBondContact O-NH2 2.88Å; R161-Q163 VanDerWaalsContact C-N 3.31Å; R161-Q163 PolarHBondContact O-N 3.28Å; R161-D164 CarbonylContact O-C 3.41Å; R161-D164 PolarHBondContact O-N 2.99Å; R161-S165 PolarHBondContact O-N 3.42Å; R161-S165 VanDerWaalsContact O-N 3.17Å; R161-S171 WeakPolarHBondContact CG-OG 3.13Å; R161-W173 HydrophobicContact CG-CB 4.44Å
162	P	92	Very high	87.6	Confident	34 Å²	34	79.8 Å²	79.8	22%	0.221	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-52.2	-43.8	-174.8	-28.8	35.6	0	0	0	114.4	Y115 A116 V146 D164 S165	Y115-P162 HydrophobicContact CD2-CG 3.59Å; Y115-P162 HydrophobicContact CE2-CG 3.64Å; A116-P162 HydrophobicContact CB-CG 4.1Å; V146-P162 HydrophobicContact CG2-CB 3.97Å; V146-P162 HydrophobicContact CG2-CG 4.49Å; P162-D164 VanDerWaalsContact C-N 3.25Å; P162-D164 PolarHBondContact O-N 3.47Å; P162-S165 VanDerWaalsContact O-CB 3.3Å; P162-S165 WeakPolarHBondContact O-CB 3.37Å; P162-S165 PolarHBondContact O-N 3.04Å; P162-S165 PolarHBondContact O-OG 3.4Å
163	Q	89.4	Confident	88	Confident	106 Å²	106	74.2 Å²	74.2	50%	0.495	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-64.6	-26.5	178.6	67.8	-85.2	32.6	0	0	113.7	A116 R161	A116-Q163 PolarHBondContact O-NE2 2.77Å; A116-Q163 PolarHBondContact O-OE1 3.01Å; R161-Q163 VanDerWaalsContact C-N 3.31Å; R161-Q163 PolarHBondContact O-N 3.28Å
164	D	88.2	Confident	88.6	Confident	20 Å²	20	63.7 Å²	63.7	11%	0.107	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-102.4	4.4	-176.7	-70.8	-38.4	0	0	0	112.2	R161 P162 N166 S167 S171	R161-D164 CarbonylContact O-C 3.41Å; R161-D164 PolarHBondContact O-N 2.99Å; P162-D164 VanDerWaalsContact C-N 3.25Å; P162-D164 PolarHBondContact O-N 3.47Å; D164-N166 PolarHBondContact O-N 3.32Å; D164-N166 VanDerWaalsContact O-N 3.14Å; D164-S167 WeakPolarHBondContact O-CB 3.31Å; D164-S167 PolarHBondContact O-N 3.11Å; D164-S171 VanDerWaalsContact CB-OG 3.3Å; D164-S171 WeakPolarHBondContact CB-OG 3.06Å; D164-S171 VanDerWaalsContact CG-OG 3.29Å; D164-S171 VanDerWaalsContact OD2-CB 3.28Å; D164-S171 WeakPolarHBondContact OD2-CB 3.47Å; D164-S171 PolarHBondContact OD2-OG 3.15Å
165	S	83.3	Confident	89	Confident	24 Å²	24	56 Å²	56	17%	0.168	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.4	-173.8	61.8	0	0	0	0	114.7	K149 R161 P162	K149-S165 PolarHBondContact NZ-O 2.83Å; R161-S165 PolarHBondContact O-N 3.42Å; R161-S165 VanDerWaalsContact O-N 3.17Å; P162-S165 VanDerWaalsContact O-CB 3.3Å; P162-S165 WeakPolarHBondContact O-CB 3.37Å; P162-S165 PolarHBondContact O-N 3.04Å; P162-S165 PolarHBondContact O-OG 3.4Å
166	N	81.6	Confident	89.4	Confident	151 Å²	151	47.3 Å²	47.3	81%	0.807	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.1	3.1	176.2	-66	-28.1	0	0	0	113	D164	D164-N166 PolarHBondContact O-N 3.32Å; D164-N166 VanDerWaalsContact O-N 3.14Å
167	S	79.8	Confident	89.5	Confident	62 Å²	62	45.5 Å²	45.5	43%	0.434	24%	0.24	S	C	.	.	S	Bend	trans	-82.9	155.5	178.2	-174.7	0	0	0	0	110.8	D164 K169	D164-S167 WeakPolarHBondContact O-CB 3.31Å; D164-S167 PolarHBondContact O-N 3.11Å; S167-K169 PolarHBondContact O-N 3.44Å; S167-K169 VanDerWaalsContact OG-CB 3.23Å; S167-K169 WeakPolarHBondContact OG-CB 3.34Å; S167-K169 PolarHBondContact OG-N 3.23Å
168	S	76	Confident	89.5	Confident	119 Å²	119	46.2 Å²	46.2	83%	0.832	24%	0.243	S	C	*	.	S	Bend	trans	-68.4	-16.4	163.3	62.5	0	0	0	0	111.7	K170	S168-K170 PolarHBondContact O-N 3Å
169	K	74.3	Confident	89.6	Confident	100 Å²	100	43.1 Å²	43.1	44%	0.435	23%	0.227	S	C	.	.			trans	-66.3	116.9	175	-168.5	176.4	179.9	-170.5	0	109.6	S167 S171	S167-K169 PolarHBondContact O-N 3.44Å; S167-K169 VanDerWaalsContact OG-CB 3.23Å; S167-K169 WeakPolarHBondContact OG-CB 3.34Å; S167-K169 PolarHBondContact OG-N 3.23Å; K169-S171 VanDerWaalsContact C-N 3.27Å; K169-S171 PolarHBondContact O-N 2.92Å
170	K	75.8	Confident	89.6	Confident	137 Å²	137	43 Å²	43	60%	0.596	23%	0.227	S	C	*	.			trans	-90.6	45.8	-178.7	-61.6	-179.1	-177.5	171.2	0	111.1	S168 R206	S168-K170 PolarHBondContact O-N 3Å; K170-R206 PolarHBondContact O-NE 2.85Å; K170-R206 PolarHBondContact O-NH2 3.2Å
171	S	86.9	Confident	89.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.226	C	C	.	.			trans	-65.1	144.6	172.9	69.1	0	0	0	0	109.4	S160 R161 D164 K169 E207	S160-S171 WeakPolarHBondContact CA-O 3.44Å; R161-S171 WeakPolarHBondContact CG-OG 3.13Å; D164-S171 VanDerWaalsContact CB-OG 3.3Å; D164-S171 WeakPolarHBondContact CB-OG 3.06Å; D164-S171 VanDerWaalsContact CG-OG 3.29Å; D164-S171 VanDerWaalsContact OD2-CB 3.28Å; D164-S171 WeakPolarHBondContact OD2-CB 3.47Å; D164-S171 PolarHBondContact OD2-OG 3.15Å; K169-S171 VanDerWaalsContact C-N 3.27Å; K169-S171 PolarHBondContact O-N 2.92Å; S171-E207 WeakPolarHBondContact CA-OE1 3.4Å; S171-E207 WeakPolarHBondContact CB-OE1 3.32Å
172	S	93.8	Very high	89.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-134.2	138.2	-179.8	-177.1	0	0	0	0	108.6	C159 L174 S179 F203	C159-S172 WeakPolarHBondContact O-CA 3.33Å; C159-S172 PolarHBondContact O-OG 2.97Å; S172-L174 PolarHBondContact OG-N 2.76Å; S172-L174 PolarHBondContact OG-O 3.13Å; S172-S179 PolarHBondContact OG-OG 3.45Å; S172-F203 WeakPolarHBondContact O-CE1 3.13Å
173	W	96.1	Very high	89.9	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.011	25%	0.248	C	C	.	.	S	Bend	trans	-90.6	-10.7	173	59	-98.3	0	0	0	112.1	F113 V120 L121 L142 L144 C159 S160 R161	F113-W173 HydrophobicContact CE1-CE3 4.34Å; F113-W173 AromaticContact CZ-CE3 3.95Å; F113-W173 HydrophobicContact CZ-CE3 3.95Å; V120-W173 CarbonylContact C-O 3.45Å; V120-W173 WeakPolarHBondContact CA-O 3.39Å; L121-W173 HydrophobicContact CB-CE3 4.49Å; L121-W173 PolarHBondContact N-O 3.39Å; L142-W173 HydrophobicContact CD2-CH2 3.7Å; L142-W173 HydrophobicContact CD2-CZ2 4.48Å; L142-W173 HydrophobicContact CD2-CZ3 4.37Å; L144-W173 HydrophobicContact CD1-CH2 4.06Å; L144-W173 HydrophobicContact CD1-CZ2 3.41Å; L144-W173 VanDerWaalsContact CD1-CZ2 3.41Å; C159-W173 HydrophobicContact CB-CZ2 3.8Å; C159-W173 VanDerWaalsContact O-CD1 3.25Å; C159-W173 PolarHBondContact O-N 3.42Å; C159-W173 PolarHBondContact O-NE1 3.04Å; S160-W173 PolarHBondContact O-NE1 2.82Å; R161-W173 HydrophobicContact CG-CB 4.44Å
174	L	97.8	Very high	90.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.4	-179	-179.4	58.9	0	0	0	111.3	L121 L138 V139 C159 S172 S179 T180	L121-L174 HydrophobicContact CB-CD1 4.17Å; L121-L174 HydrophobicContact CD2-CD1 3.39Å; L121-L174 HydrophobicContact CG-CD1 4.39Å; L138-L174 HydrophobicContact CB-CD2 4.28Å; L138-L174 HydrophobicContact CD1-CD1 4.27Å; V139-L174 HydrophobicContact CG1-CD2 3.71Å; C159-L174 HydrophobicContact CB-CB 3.98Å; C159-L174 HydrophobicContact CB-CD2 4.47Å; S172-L174 PolarHBondContact OG-N 2.76Å; S172-L174 PolarHBondContact OG-O 3.13Å; L174-S179 PolarHBondContact O-OG 3.47Å; L174-T180 WeakPolarHBondContact O-CG2 3.4Å
175	F	97.9	Very high	90.5	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109	165.3	-171.3	-80.9	0	0	0	109.6	V120 L121 V122 F123 T180 C184 L193 V199 Y202 F203	V120-F175 HydrophobicContact CG1-CB 4.17Å; L121-F175 PolarHBondContact O-N 3.35Å; V122-F175 HydrophobicContact CG1-CB 4.49Å; V122-F175 HydrophobicContact CG1-CD1 4.06Å; V122-F175 HydrophobicContact CG2-CB 4.3Å; F123-F175 PolarHBondContact N-O 2.9Å; F175-T180 HydrophobicContact CD2-CG2 4.08Å; F175-C184 HydrophobicContact CZ-CB 4.38Å; F175-C184 VanDerWaalsContact CZ-SG 3.55Å; F175-L193 HydrophobicContact CE1-CD2 3.77Å; F175-L193 HydrophobicContact CZ-CD2 4.33Å; F175-V199 HydrophobicContact CB-CG1 4.39Å; F175-V199 HydrophobicContact CD1-CG2 4.1Å; F175-V199 HydrophobicContact CD2-CG1 4.05Å; F175-V199 HydrophobicContact CD2-CG2 4.43Å; F175-V199 HydrophobicContact CE1-CG2 4Å; F175-V199 HydrophobicContact CE2-CG2 4.32Å; F175-V199 HydrophobicContact CG-CG1 4.11Å; F175-V199 HydrophobicContact CG-CG2 4.33Å; F175-V199 HydrophobicContact CZ-CG2 4.12Å; F175-Y202 AromaticContact CD2-CD1 3.63Å; F175-Y202 HydrophobicContact CD2-CD1 3.63Å; F175-Y202 AromaticContact CD2-CE1 3.95Å; F175-Y202 HydrophobicContact CD2-CE1 3.95Å; F175-Y202 HydrophobicContact CD2-CG 4.34Å; F175-Y202 AromaticContact CE2-CD1 3.56Å; F175-Y202 HydrophobicContact CE2-CD1 3.56Å; F175-Y202 HydrophobicContact CE2-CE1 4.07Å; F175-Y202 AromaticContact CE2-CG 3.8Å; F175-Y202 HydrophobicContact CE2-CG 3.8Å; F175-F203 HydrophobicContact CB-CE2 3.97Å; F175-F203 HydrophobicContact CB-CZ 4.12Å; F175-F203 AromaticContact CD2-CE2 3.87Å; F175-F203 HydrophobicContact CD2-CE2 3.87Å; F175-F203 HydrophobicContact CD2-CZ 4.32Å; F175-F203 HydrophobicContact CG-CE2 4.37Å
176	S	97.7	Very high	91	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	23%	0.234	C	C	.	.	S	Bend	trans	-162.6	164.3	-175.8	80	0	0	0	0	110.6	E135 F178 S179 T180 G181	E135-S176 VanDerWaalsContact OE2-CB 3.22Å; E135-S176 WeakPolarHBondContact OE2-CB 3.31Å; S176-F178 VanDerWaalsContact C-N 3.26Å; S176-F178 PolarHBondContact O-N 3.4Å; S176-S179 PolarHBondContact O-N 2.64Å; S176-S179 VanDerWaalsContact O-N 3.15Å; S176-S179 WeakPolarHBondContact OG-CB 3.36Å; S176-S179 PolarHBondContact OG-N 2.83Å; S176-S179 VanDerWaalsContact OG-N 3.14Å; S176-T180 PolarHBondContact N-OG1 3.23Å; S176-T180 VanDerWaalsContact N-OG1 3.1Å; S176-T180 PolarHBondContact O-N 2.91Å; S176-T180 PolarHBondContact O-OG1 2.87Å; S176-G181 PolarHBondContact O-N 3.23Å
177	R	96.2	Very high	91.7	Very high	91 Å²	91	38.9 Å²	38.9	34%	0.343	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-42	177	176.7	-165.5	179.4	173.9	0.6	111.5	T132 E135 S179 G181 W182	T132-R177 PolarHBondContact OG1-NH1 2.75Å; E135-R177 VanDerWaalsContact OE2-CB 3.28Å; E135-R177 WeakPolarHBondContact OE2-CB 3.3Å; E135-R177 PolarHBondContact OE2-N 2.8Å; R177-S179 VanDerWaalsContact C-N 3.35Å; R177-G181 VanDerWaalsContact O-CA 3.28Å; R177-G181 WeakPolarHBondContact O-CA 2.79Å; R177-G181 PolarHBondContact O-N 3.48Å; R177-W182 HydrophobicContact CB-CH2 4.2Å; R177-W182 HydrophobicContact CB-CZ2 4.1Å; R177-W182 HydrophobicContact CB-CZ3 4.46Å; R177-W182 HydrophobicContact CG-CD2 4.25Å; R177-W182 HydrophobicContact CG-CH2 4.26Å; R177-W182 HydrophobicContact CG-CZ2 3.65Å
178	F	96.6	Very high	92.5	Very high	19 Å²	19	36.1 Å²	36.1	8%	0.083	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.4	-177.7	-74.3	-84.4	0	0	0	113.8	T132 E135 R136 V139 K155 R156 C157 S176	T132-F178 HydrophobicContact CG2-CE2 4.13Å; T132-F178 HydrophobicContact CG2-CZ 4.07Å; E135-F178 HydrophobicContact CB-CD2 3.51Å; E135-F178 HydrophobicContact CB-CE2 4.14Å; E135-F178 HydrophobicContact CB-CG 4.43Å; E135-F178 HydrophobicContact CG-CD2 4.44Å; R136-F178 HydrophobicContact CG-CD1 4.43Å; R136-F178 HydrophobicContact CG-CE1 4.02Å; R136-F178 HydrophobicContact CG-CE2 4.08Å; R136-F178 HydrophobicContact CG-CZ 3.82Å; V139-F178 HydrophobicContact CG1-CB 3.88Å; V139-F178 HydrophobicContact CG2-CB 3.86Å; V139-F178 HydrophobicContact CG2-CG 4.49Å; K155-F178 WeakPolarHBondContact O-CD1 3.3Å; R156-F178 CarbonylContact C-O 3.6Å; R156-F178 VanDerWaalsContact CA-O 3.27Å; R156-F178 WeakPolarHBondContact CA-O 3.44Å; C157-F178 PolarHBondContact N-O 3.25Å; S176-F178 VanDerWaalsContact C-N 3.26Å; S176-F178 PolarHBondContact O-N 3.4Å
179	S	96.1	Very high	93.5	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.035	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-71.3	173.6	174.9	0	0	0	0	111.8	C157 S172 L174 S176 R177	C157-S179 WeakPolarHBondContact O-CA 3.4Å; S172-S179 PolarHBondContact OG-OG 3.45Å; L174-S179 PolarHBondContact O-OG 3.47Å; S176-S179 PolarHBondContact O-N 2.64Å; S176-S179 VanDerWaalsContact O-N 3.15Å; S176-S179 WeakPolarHBondContact OG-CB 3.36Å; S176-S179 PolarHBondContact OG-N 2.83Å; S176-S179 VanDerWaalsContact OG-N 3.14Å; R177-S179 VanDerWaalsContact C-N 3.35Å
180	T	95.4	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-28.1	-174.5	53.3	0	0	0	0	111.1	R156 L174 F175 S176 N183 Y202	R156-T180 PolarHBondContact NH1-O 2.9Å; L174-T180 WeakPolarHBondContact O-CG2 3.4Å; F175-T180 HydrophobicContact CD2-CG2 4.08Å; S176-T180 PolarHBondContact N-OG1 3.23Å; S176-T180 VanDerWaalsContact N-OG1 3.1Å; S176-T180 PolarHBondContact O-N 2.91Å; S176-T180 PolarHBondContact O-OG1 2.87Å; T180-N183 VanDerWaalsContact C-ND2 3.32Å; T180-N183 WeakPolarHBondContact CB-ND2 3.35Å; T180-N183 PolarHBondContact O-ND2 2.53Å; T180-Y202 WeakPolarHBondContact CB-OH 3.48Å; T180-Y202 HydrophobicContact CG2-CE1 3.52Å; T180-Y202 WeakPolarHBondContact CG2-OH 3.48Å
181	G	95	Very high	95.7	Very high	10 Å²	10	19.5 Å²	19.5	10%	0.103	10%	0.097	C	C	.	.			trans	87.7	-169.7	-171.4	0	0	0	0	0	111.8	S176 R177 N183	S176-G181 PolarHBondContact O-N 3.23Å; R177-G181 VanDerWaalsContact O-CA 3.28Å; R177-G181 WeakPolarHBondContact O-CA 2.79Å; R177-G181 PolarHBondContact O-N 3.48Å; G181-N183 PolarHBondContact O-N 3.08Å
182	W	95.3	Very high	96.1	Very high	82 Å²	82	19.7 Å²	19.7	31%	0.311	10%	0.098	S	C	.	.	S	Bend	trans	-80.8	48.7	-179	-61.8	124.7	0	0	0	112.9	H125 R177 C184 G185 L186 H187	H125-W182 HydrophobicContact CB-CH2 3.76Å; H125-W182 HydrophobicContact CB-CZ3 3.94Å; H125-W182 AromaticContact CG-CH2 3.72Å; R177-W182 HydrophobicContact CB-CH2 4.2Å; R177-W182 HydrophobicContact CB-CZ2 4.1Å; R177-W182 HydrophobicContact CB-CZ3 4.46Å; R177-W182 HydrophobicContact CG-CD2 4.25Å; R177-W182 HydrophobicContact CG-CH2 4.26Å; R177-W182 HydrophobicContact CG-CZ2 3.65Å; W182-C184 PolarHBondContact O-N 2.68Å; W182-G185 WeakPolarHBondContact CB-O 3.49Å; W182-G185 PolarHBondContact O-N 3.29Å; W182-L186 HydrophobicContact CD2-CD1 3.85Å; W182-L186 VanDerWaalsContact CE2-CD1 3.4Å; W182-L186 HydrophobicContact CG-CD1 4.1Å; W182-L186 HydrophobicContact CH2-CD1 4.45Å; W182-L186 HydrophobicContact CZ2-CD1 3.73Å; W182-H187 AromaticContact CH2-CE1 3.62Å; W182-H187 AromaticContact CH2-CG 3.89Å; W182-H187 AromaticContact CH2-ND1 3.4Å; W182-H187 WeakPolarHBondContact CH2-ND1 3.31Å; W182-H187 AromaticContact CZ2-CE1 3.89Å; W182-H187 VanDerWaalsContact CZ3-N 3.27Å
183	N	94.7	Very high	96.3	Very high	74 Å²	74	20 Å²	20	40%	0.396	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18	-173.2	-65.2	-50.5	0	0	0	114.2	T180 G181 Y202	T180-N183 VanDerWaalsContact C-ND2 3.32Å; T180-N183 WeakPolarHBondContact CB-ND2 3.35Å; T180-N183 PolarHBondContact O-ND2 2.53Å; G181-N183 PolarHBondContact O-N 3.08Å; N183-Y202 HydrophobicContact CB-CD2 3.65Å; N183-Y202 HydrophobicContact CB-CE2 3.78Å; N183-Y202 HydrophobicContact CB-CG 4.43Å; N183-Y202 WeakPolarHBondContact ND2-CE2 3.26Å; N183-Y202 VanDerWaalsContact ND2-CZ 3.28Å; N183-Y202 PolarHBondContact ND2-OH 3.03Å
184	C	95.5	Very high	96.4	Very high	18 Å²	18	20 Å²	20	12%	0.122	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.7	172.5	-68.1	0	0	0	0	113.5	F175 W182 S188 L193 C198	F175-C184 HydrophobicContact CZ-CB 4.38Å; F175-C184 VanDerWaalsContact CZ-SG 3.55Å; W182-C184 PolarHBondContact O-N 2.68Å; C184-S188 WeakPolarHBondContact CB-OG 3.32Å; C184-S188 PolarHBondContact O-OG 3.06Å; C184-L193 HydrophobicContact CB-CD2 3.66Å; C184-C198 WeakPolarHBondContact CA-SG 3.32Å; C184-C198 HydrophobicContact CB-CB 3.93Å; C184-C198 WeakPolarHBondContact CB-SG 3.35Å; C184-C198 WeakPolarHBondContact SG-CB 3.33Å; C184-C198 CovalentContact SG-SG 2.03Å; C184-C198 PolarHBondContact SG-SG 3Å
185	G	93.9	Very high	96.3	Very high	14 Å²	14	20.6 Å²	20.6	14%	0.144	10%	0.103	C	C	.	.			trans	124.9	158	-167.9	0	0	0	0	0	112	W182 H187 S188	W182-G185 WeakPolarHBondContact CB-O 3.49Å; W182-G185 PolarHBondContact O-N 3.29Å; G185-H187 PolarHBondContact O-N 3.07Å; G185-S188 VanDerWaalsContact CA-OG 3.27Å; G185-S188 WeakPolarHBondContact CA-OG 3.26Å; G185-S188 PolarHBondContact N-OG 2.99Å; G185-S188 PolarHBondContact O-OG 3.32Å
186	L	95.3	Very high	96.1	Very high	39 Å²	39	22.9 Å²	22.9	20%	0.204	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	113.1	174.6	173.5	64.2	0	0	0	109	W182 S243 S244	W182-L186 HydrophobicContact CD2-CD1 3.85Å; W182-L186 VanDerWaalsContact CE2-CD1 3.4Å; W182-L186 HydrophobicContact CG-CD1 4.1Å; W182-L186 HydrophobicContact CH2-CD1 4.45Å; W182-L186 HydrophobicContact CZ2-CD1 3.73Å; L186-S243 WeakPolarHBondContact CD2-OG 3.37Å; L186-S244 PolarHBondContact O-OG 2.99Å
187	H	95.2	Very high	95.9	Very high	32 Å²	32	23.3 Å²	23.3	15%	0.148	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	47.2	-175.8	-60.5	-75.6	0	0	0	113.9	H125 Q127 W182 G185 D189 M291	H125-H187 AromaticContact CD2-CE1 3.29Å; H125-H187 PolarHBondContact CD2-CE1 2.95Å; H125-H187 AromaticContact CD2-ND1 3.3Å; H125-H187 PolarHBondContact CD2-ND1 3.3Å; H125-H187 VanDerWaalsContact CD2-ND1 3.3Å; H125-H187 AromaticContact NE2-CE1 3.66Å; H125-H187 PolarHBondContact O-ND1 3.15Å; H125-H187 VanDerWaalsContact O-ND1 3.12Å; Q127-H187 VanDerWaalsContact CD-CG 3.49Å; Q127-H187 PolarHBondContact NE2-CD2 3.19Å; W182-H187 AromaticContact CH2-CE1 3.62Å; W182-H187 AromaticContact CH2-CG 3.89Å; W182-H187 AromaticContact CH2-ND1 3.4Å; W182-H187 WeakPolarHBondContact CH2-ND1 3.31Å; W182-H187 AromaticContact CZ2-CE1 3.89Å; W182-H187 VanDerWaalsContact CZ3-N 3.27Å; G185-H187 PolarHBondContact O-N 3.07Å; H187-D189 PolarHBondContact O-N 3.26Å; H187-M291 HydrophobicContact CB-CE 4.17Å; H187-M291 WeakPolarHBondContact O-CE 3.4Å
188	S	96.7	Very high	96	Very high	5 Å²	5	20.1 Å²	20.1	4%	0.035	12%	0.116	C	C	.	.			trans	-54.5	127.4	170.5	-61.3	0	0	0	0	111.8	C184 G185 E192 L193	C184-S188 WeakPolarHBondContact CB-OG 3.32Å; C184-S188 PolarHBondContact O-OG 3.06Å; G185-S188 VanDerWaalsContact CA-OG 3.27Å; G185-S188 WeakPolarHBondContact CA-OG 3.26Å; G185-S188 PolarHBondContact N-OG 2.99Å; G185-S188 PolarHBondContact O-OG 3.32Å; S188-E192 WeakPolarHBondContact CA-OE2 3.15Å; S188-E192 VanDerWaalsContact CB-OE2 3.22Å; S188-E192 WeakPolarHBondContact CB-OE2 3.4Å; S188-E192 PolarHBondContact OG-OE2 2.88Å; S188-L193 WeakPolarHBondContact O-CD1 3.24Å
189	D	98	Very high	96	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.011	11%	0.112	C	C	.	.			trans	-79.7	-176.9	176.4	56.5	50.4	0	0	0	112.4	H187 T191 E192 L193 M291	H187-D189 PolarHBondContact O-N 3.26Å; D189-T191 PolarHBondContact O-N 2.99Å; D189-T191 WeakPolarHBondContact OD1-CA 3.48Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 3.24Å; D189-E192 PolarHBondContact O-N 3.49Å; D189-E192 PolarHBondContact OD1-N 2.87Å; D189-L193 WeakPolarHBondContact O-CB 3.33Å; D189-L193 WeakPolarHBondContact O-CG 3.46Å; D189-L193 PolarHBondContact O-N 3.11Å; D189-M291 HydrophobicContact CB-CB 4.37Å; D189-M291 HydrophobicContact CB-CE 4.28Å; D189-M291 WeakPolarHBondContact CB-O 3.16Å; D189-M291 HydrophobicContact CB-SD 3.83Å
190	W	98.3	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-53.9	-40.9	175.8	179.3	-84.2	0	0	0	112.3	L124 L193 V194 V195 I217 M291 L292 N322 K325 M326	L124-W190 HydrophobicContact CD1-CB 4.07Å; L124-W190 HydrophobicContact CD1-CE3 4.36Å; W190-L193 PolarHBondContact O-N 3.41Å; W190-V194 HydrophobicContact CD2-CB 4.14Å; W190-V194 HydrophobicContact CD2-CG2 3.83Å; W190-V194 HydrophobicContact CE3-CG2 3.97Å; W190-V194 HydrophobicContact CG-CB 4.37Å; W190-V194 HydrophobicContact CG-CG2 4.32Å; W190-V194 HydrophobicContact CH2-CG1 4.49Å; W190-V194 HydrophobicContact CH2-CG2 4.42Å; W190-V194 HydrophobicContact CZ2-CB 4.31Å; W190-V194 HydrophobicContact CZ2-CG1 3.84Å; W190-V194 HydrophobicContact CZ2-CG2 4.28Å; W190-V194 HydrophobicContact CZ3-CG2 4.27Å; W190-V194 WeakPolarHBondContact O-CA 3.22Å; W190-V194 WeakPolarHBondContact O-CB 3.32Å; W190-V194 PolarHBondContact O-N 2.91Å; W190-V195 PolarHBondContact O-N 3.14Å; W190-I217 HydrophobicContact CE3-CD1 4.42Å; W190-I217 HydrophobicContact CE3-CG2 4.44Å; W190-I217 HydrophobicContact CH2-CD1 3.68Å; W190-I217 HydrophobicContact CZ2-CD1 4.5Å; W190-I217 HydrophobicContact CZ3-CB 4.44Å; W190-I217 HydrophobicContact CZ3-CD1 3.63Å; W190-I217 HydrophobicContact CZ3-CG2 3.99Å; W190-M291 PolarHBondContact N-O 2.59Å; W190-L292 WeakPolarHBondContact CB-O 3.48Å; W190-N322 HydrophobicContact CD2-CB 3.89Å; W190-N322 HydrophobicContact CE3-CB 3.91Å; W190-N322 HydrophobicContact CH2-CB 4.1Å; W190-N322 HydrophobicContact CZ2-CB 4.08Å; W190-N322 HydrophobicContact CZ3-CB 4.01Å; W190-N322 PolarHBondContact NE1-ND2 2.89Å; W190-K325 HydrophobicContact CH2-CB 4.1Å; W190-K325 HydrophobicContact CH2-CD 4.27Å; W190-K325 HydrophobicContact CZ2-CD 4.13Å; W190-M326 HydrophobicContact CE3-CE 3.67Å; W190-M326 HydrophobicContact CZ3-CE 3.7Å; W190-M326 HydrophobicContact CZ3-CG 4.13Å
191	T	97.3	Very high	96	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.025	14%	0.14	C	C	.	.	I	π-helix	trans	-63.3	-47.8	-179.6	-51.7	0	0	0	0	110.6	D189 V195 S196 C248 A293 L295 T296	D189-T191 PolarHBondContact O-N 2.99Å; D189-T191 WeakPolarHBondContact OD1-CA 3.48Å; D189-T191 WeakPolarHBondContact OD1-CB 3.42Å; D189-T191 PolarHBondContact OD1-N 3.24Å; T191-V195 HydrophobicContact CG2-CB 4.21Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 PolarHBondContact O-N 3.07Å; T191-S196 PolarHBondContact O-N 2.96Å; T191-C248 HydrophobicContact CG2-CB 4.49Å; T191-A293 PolarHBondContact OG1-O 2.88Å; T191-L295 HydrophobicContact CG2-CB 4.5Å; T191-L295 PolarHBondContact OG1-N 2.83Å; T191-T296 HydrophobicContact CG2-CG2 3.75Å
192	E	96.3	Very high	96.1	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.028	14%	0.141	C	C	.	.	I	π-helix	trans	-66.3	-45.1	178.6	-72.7	-170	-152.3	0	0	112.5	S188 D189 S196 C198 H246 M247	S188-E192 WeakPolarHBondContact CA-OE2 3.15Å; S188-E192 VanDerWaalsContact CB-OE2 3.22Å; S188-E192 WeakPolarHBondContact CB-OE2 3.4Å; S188-E192 PolarHBondContact OG-OE2 2.88Å; D189-E192 PolarHBondContact O-N 3.49Å; D189-E192 PolarHBondContact OD1-N 2.87Å; E192-S196 PolarHBondContact O-OG 3.48Å; E192-C198 WeakPolarHBondContact O-CB 3.37Å; E192-H246 VanDerWaalsContact OE1-CA 3.23Å; E192-H246 WeakPolarHBondContact OE1-CA 3.31Å; E192-H246 PolarHBondContact OE1-N 3.26Å; E192-M247 HydrophobicContact CG-CB 3.97Å; E192-M247 WeakPolarHBondContact CG-O 3.42Å; E192-M247 PolarHBondContact OE1-N 3.01Å
193	L	97.3	Very high	96.1	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	13%	0.126	C	C	.	.	I	π-helix	trans	-76	-45.7	-174.9	-67.9	176.9	0	0	0	112.7	L124 F175 C184 S188 D189 W190 V199	L124-L193 HydrophobicContact CB-CD1 3.97Å; L124-L193 HydrophobicContact CD1-CD1 4.41Å; L124-L193 HydrophobicContact CG-CD1 3.87Å; F175-L193 HydrophobicContact CE1-CD2 3.77Å; F175-L193 HydrophobicContact CZ-CD2 4.33Å; C184-L193 HydrophobicContact CB-CD2 3.66Å; S188-L193 WeakPolarHBondContact O-CD1 3.24Å; D189-L193 WeakPolarHBondContact O-CB 3.33Å; D189-L193 WeakPolarHBondContact O-CG 3.46Å; D189-L193 PolarHBondContact O-N 3.11Å; W190-L193 PolarHBondContact O-N 3.41Å; L193-V199 HydrophobicContact CB-CG2 4.14Å; L193-V199 HydrophobicContact CD2-CG2 4Å; L193-V199 WeakPolarHBondContact O-CG2 3.43Å; L193-V199 PolarHBondContact O-N 2.94Å
194	V	97.2	Very high	96.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	12%	0.115	C	C	.	.	I	π-helix	trans	-102.1	-67.4	-167.3	-175.9	0	0	0	0	109.7	S92 V94 E95 W190 S196 G197 I217	S92-V194 WeakPolarHBondContact CB-O 3.49Å; S92-V194 PolarHBondContact OG-O 2.96Å; V94-V194 HydrophobicContact CB-CG1 4.25Å; V94-V194 HydrophobicContact CG1-CB 4.34Å; V94-V194 HydrophobicContact CG1-CG1 4.02Å; V94-V194 HydrophobicContact CG1-CG2 4.26Å; E95-V194 HydrophobicContact CB-CG1 3.73Å; E95-V194 HydrophobicContact CG-CG1 4.47Å; W190-V194 HydrophobicContact CD2-CB 4.14Å; W190-V194 HydrophobicContact CD2-CG2 3.83Å; W190-V194 HydrophobicContact CE3-CG2 3.97Å; W190-V194 HydrophobicContact CG-CB 4.37Å; W190-V194 HydrophobicContact CG-CG2 4.32Å; W190-V194 HydrophobicContact CH2-CG1 4.49Å; W190-V194 HydrophobicContact CH2-CG2 4.42Å; W190-V194 HydrophobicContact CZ2-CB 4.31Å; W190-V194 HydrophobicContact CZ2-CG1 3.84Å; W190-V194 HydrophobicContact CZ2-CG2 4.28Å; W190-V194 HydrophobicContact CZ3-CG2 4.27Å; W190-V194 WeakPolarHBondContact O-CA 3.22Å; W190-V194 WeakPolarHBondContact O-CB 3.32Å; W190-V194 PolarHBondContact O-N 2.91Å; V194-S196 VanDerWaalsContact C-N 3.29Å; V194-S196 PolarHBondContact O-N 3.48Å; V194-G197 WeakPolarHBondContact O-CA 3.32Å; V194-G197 PolarHBondContact O-N 3.28Å; V194-I217 HydrophobicContact CG1-CD1 4.34Å; V194-I217 HydrophobicContact CG2-CD1 3.47Å; V194-I217 VanDerWaalsContact CG2-CD1 3.47Å; V194-I217 HydrophobicContact CG2-CG1 4.5Å
195	V	95.5	Very high	96	Very high	12 Å²	12	26.7 Å²	26.7	7%	0.073	14%	0.141	C	C	.	.	I	π-helix	trans	-58.6	-40.8	-171.5	-177.4	0	0	0	0	111.5	S92 W190 T191 G197 D294 T296	S92-V195 WeakPolarHBondContact CB-O 3.36Å; W190-V195 PolarHBondContact O-N 3.14Å; T191-V195 HydrophobicContact CG2-CB 4.21Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 PolarHBondContact O-N 3.07Å; V195-G197 PolarHBondContact O-N 3.44Å; V195-D294 HydrophobicContact CG2-CB 4.14Å; V195-T296 HydrophobicContact CG1-CG2 4.06Å
196	S	94.4	Very high	95.9	Very high	56 Å²	56	28.8 Å²	28.8	39%	0.392	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.9	176.9	92.8	0	0	0	0	114.2	T191 E192 V194 C198 R201	T191-S196 PolarHBondContact O-N 2.96Å; E192-S196 PolarHBondContact O-OG 3.48Å; V194-S196 VanDerWaalsContact C-N 3.29Å; V194-S196 PolarHBondContact O-N 3.48Å; S196-C198 VanDerWaalsContact C-N 3.26Å; S196-C198 PolarHBondContact O-N 2.9Å; S196-C198 WeakPolarHBondContact OG-CB 3.33Å; S196-C198 PolarHBondContact OG-N 3.26Å; S196-R201 PolarHBondContact O-NH2 3.43Å
197	G	94.5	Very high	95.8	Very high	12 Å²	12	28.4 Å²	28.4	12%	0.124	14%	0.142	C	C	.	.			trans	68.4	19.2	-173.7	0	0	0	0	0	114.2	V194 V195 V199 D200 R201	V194-G197 WeakPolarHBondContact O-CA 3.32Å; V194-G197 PolarHBondContact O-N 3.28Å; V195-G197 PolarHBondContact O-N 3.44Å; G197-V199 VanDerWaalsContact C-N 3.34Å; G197-V199 PolarHBondContact O-N 3.36Å; G197-D200 PolarHBondContact O-N 3.39Å; G197-R201 PolarHBondContact O-N 2.94Å; G197-R201 VanDerWaalsContact O-N 3.15Å
198	C	96.9	Very high	95.6	Very high	23 Å²	23	36.2 Å²	36.2	16%	0.155	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-43	-175	177.3	0	0	0	0	113.2	C184 E192 S196 D200 R201 Y202	C184-C198 WeakPolarHBondContact CA-SG 3.32Å; C184-C198 HydrophobicContact CB-CB 3.93Å; C184-C198 WeakPolarHBondContact CB-SG 3.35Å; C184-C198 WeakPolarHBondContact SG-CB 3.33Å; C184-C198 CovalentContact SG-SG 2.03Å; C184-C198 PolarHBondContact SG-SG 3Å; E192-C198 WeakPolarHBondContact O-CB 3.37Å; S196-C198 VanDerWaalsContact C-N 3.26Å; S196-C198 PolarHBondContact O-N 2.9Å; S196-C198 WeakPolarHBondContact OG-CB 3.33Å; S196-C198 PolarHBondContact OG-N 3.26Å; C198-D200 PolarHBondContact O-N 2.97Å; C198-R201 PolarHBondContact O-N 3.35Å; C198-Y202 WeakPolarHBondContact O-CB 3.42Å; C198-Y202 PolarHBondContact O-N 2.79Å
199	V	97.1	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-45.4	-178.1	175.4	0	0	0	0	111.5	V94 V122 F175 L193 G197 Y202 F203 Y215	V94-V199 HydrophobicContact CG2-CB 4.16Å; V122-V199 HydrophobicContact CG1-CG2 4.12Å; V122-V199 HydrophobicContact CG2-CG1 3.93Å; F175-V199 HydrophobicContact CB-CG1 4.39Å; F175-V199 HydrophobicContact CD1-CG2 4.1Å; F175-V199 HydrophobicContact CD2-CG1 4.05Å; F175-V199 HydrophobicContact CD2-CG2 4.43Å; F175-V199 HydrophobicContact CE1-CG2 4Å; F175-V199 HydrophobicContact CE2-CG2 4.32Å; F175-V199 HydrophobicContact CG-CG1 4.11Å; F175-V199 HydrophobicContact CG-CG2 4.33Å; F175-V199 HydrophobicContact CZ-CG2 4.12Å; L193-V199 HydrophobicContact CB-CG2 4.14Å; L193-V199 HydrophobicContact CD2-CG2 4Å; L193-V199 WeakPolarHBondContact O-CG2 3.43Å; L193-V199 PolarHBondContact O-N 2.94Å; G197-V199 VanDerWaalsContact C-N 3.34Å; G197-V199 PolarHBondContact O-N 3.36Å; V199-Y202 WeakPolarHBondContact O-CB 3.41Å; V199-Y202 PolarHBondContact O-N 3.25Å; V199-F203 HydrophobicContact CG1-CD2 4.06Å; V199-F203 HydrophobicContact CG1-CE2 3.9Å; V199-F203 VanDerWaalsContact O-CD2 3.24Å; V199-F203 WeakPolarHBondContact O-CD2 3.22Å; V199-F203 PolarHBondContact O-N 3.45Å; V199-Y215 HydrophobicContact CG1-CD1 4.11Å; V199-Y215 HydrophobicContact CG1-CE1 3.76Å
200	D	96.7	Very high	95.1	Very high	13 Å²	13	43 Å²	43	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-47.6	179.3	-171.3	68.8	0	0	0	111.4	L93 V94 G197 C198 Y202 F203 D204 H210 R213 Y215	L93-D200 WeakPolarHBondContact CD1-OD2 3.26Å; V94-D200 HydrophobicContact CG2-CB 3.69Å; G197-D200 PolarHBondContact O-N 3.39Å; C198-D200 PolarHBondContact O-N 2.97Å; D200-Y202 PolarHBondContact O-N 3.01Å; D200-F203 PolarHBondContact O-N 3.25Å; D200-D204 PolarHBondContact O-N 3.27Å; D200-H210 IonicContact OD2-CE1 2.66Å; D200-R213 IonicContact OD1-NH1 3.55Å; D200-R213 PolarHBondContact OD1-NH1 2.66Å; D200-Y215 VanDerWaalsContact CA-OH 3.26Å; D200-Y215 WeakPolarHBondContact CA-OH 3.45Å; D200-Y215 HydrophobicContact CB-CE2 4.46Å; D200-Y215 VanDerWaalsContact CB-OH 3.32Å; D200-Y215 WeakPolarHBondContact CB-OH 3.2Å; D200-Y215 PolarHBondContact OD1-OH 2.74Å
201	R	95.8	Very high	94.8	Very high	144 Å²	144	44.7 Å²	44.7	54%	0.543	23%	0.228	S	C	.	.	H	α-helix	trans	-58	-37.4	176.2	-142.6	-169.9	-40.1	-139.1	3.8	112.5	S196 G197 C198 N205	S196-R201 PolarHBondContact O-NH2 3.43Å; G197-R201 PolarHBondContact O-N 2.94Å; G197-R201 VanDerWaalsContact O-N 3.15Å; C198-R201 PolarHBondContact O-N 3.35Å; R201-N205 VanDerWaalsContact O-CB 3.31Å; R201-N205 WeakPolarHBondContact O-CB 3.04Å; R201-N205 PolarHBondContact O-N 2.62Å; R201-N205 PolarHBondContact O-ND2 2.79Å; R201-N205 VanDerWaalsContact O-ND2 3.14Å
202	Y	95.9	Very high	94.6	Very high	35 Å²	35	53.1 Å²	53.1	14%	0.137	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-48.4	175.2	166	-98.2	0	0	0	111.7	F175 T180 N183 C198 V199 D200 R206	F175-Y202 AromaticContact CD2-CD1 3.63Å; F175-Y202 HydrophobicContact CD2-CD1 3.63Å; F175-Y202 AromaticContact CD2-CE1 3.95Å; F175-Y202 HydrophobicContact CD2-CE1 3.95Å; F175-Y202 HydrophobicContact CD2-CG 4.34Å; F175-Y202 AromaticContact CE2-CD1 3.56Å; F175-Y202 HydrophobicContact CE2-CD1 3.56Å; F175-Y202 HydrophobicContact CE2-CE1 4.07Å; F175-Y202 AromaticContact CE2-CG 3.8Å; F175-Y202 HydrophobicContact CE2-CG 3.8Å; T180-Y202 WeakPolarHBondContact CB-OH 3.48Å; T180-Y202 HydrophobicContact CG2-CE1 3.52Å; T180-Y202 WeakPolarHBondContact CG2-OH 3.48Å; N183-Y202 HydrophobicContact CB-CD2 3.65Å; N183-Y202 HydrophobicContact CB-CE2 3.78Å; N183-Y202 HydrophobicContact CB-CG 4.43Å; N183-Y202 WeakPolarHBondContact ND2-CE2 3.26Å; N183-Y202 VanDerWaalsContact ND2-CZ 3.28Å; N183-Y202 PolarHBondContact ND2-OH 3.03Å; C198-Y202 WeakPolarHBondContact O-CB 3.42Å; C198-Y202 PolarHBondContact O-N 2.79Å; V199-Y202 WeakPolarHBondContact O-CB 3.41Å; V199-Y202 PolarHBondContact O-N 3.25Å; D200-Y202 PolarHBondContact O-N 3.01Å; Y202-R206 VanDerWaalsContact O-CB 3.22Å; Y202-R206 WeakPolarHBondContact O-CB 3.23Å; Y202-R206 PolarHBondContact O-N 2.89Å; Y202-R206 WeakPolarHBondContact OH-CD 3.36Å; Y202-R206 PolarHBondContact OH-NH1 2.9Å
203	F	95.5	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-41.6	179.1	-79.7	-74.3	0	0	0	111.7	V120 S172 F175 V199 D200 N205 R206 E207 R213	V120-F203 HydrophobicContact CB-CE2 4.37Å; V120-F203 HydrophobicContact CG1-CD2 4.37Å; V120-F203 HydrophobicContact CG1-CE2 3.44Å; V120-F203 VanDerWaalsContact CG1-CE2 3.44Å; V120-F203 HydrophobicContact CG1-CZ 3.66Å; V120-F203 HydrophobicContact CG2-CD2 4.32Å; V120-F203 HydrophobicContact CG2-CE1 4.5Å; V120-F203 HydrophobicContact CG2-CE2 4.01Å; V120-F203 HydrophobicContact CG2-CZ 4.1Å; S172-F203 WeakPolarHBondContact O-CE1 3.13Å; F175-F203 HydrophobicContact CB-CE2 3.97Å; F175-F203 HydrophobicContact CB-CZ 4.12Å; F175-F203 AromaticContact CD2-CE2 3.87Å; F175-F203 HydrophobicContact CD2-CE2 3.87Å; F175-F203 HydrophobicContact CD2-CZ 4.32Å; F175-F203 HydrophobicContact CG-CE2 4.37Å; V199-F203 HydrophobicContact CG1-CD2 4.06Å; V199-F203 HydrophobicContact CG1-CE2 3.9Å; V199-F203 VanDerWaalsContact O-CD2 3.24Å; V199-F203 WeakPolarHBondContact O-CD2 3.22Å; V199-F203 PolarHBondContact O-N 3.45Å; D200-F203 PolarHBondContact O-N 3.25Å; F203-N205 PolarHBondContact O-N 3.44Å; F203-R206 PolarHBondContact O-N 2.83Å; F203-E207 VanDerWaalsContact O-CB 3.25Å; F203-E207 WeakPolarHBondContact O-CB 3.41Å; F203-E207 WeakPolarHBondContact O-CG 3.27Å; F203-E207 PolarHBondContact O-N 3.21Å; F203-R213 VanDerWaalsContact CB-CZ 3.47Å
204	D	94.8	Very high	94.5	Very high	31 Å²	31	56.1 Å²	56.1	17%	0.166	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-45.2	177.4	-77.3	3.4	0	0	0	112.2	D200 K208 G209 H210 R213	D200-D204 PolarHBondContact O-N 3.27Å; D204-K208 VanDerWaalsContact O-CA 3.3Å; D204-K208 WeakPolarHBondContact O-CA 3.18Å; D204-K208 PolarHBondContact O-N 3.36Å; D204-G209 WeakPolarHBondContact CA-O 3.45Å; D204-G209 PolarHBondContact O-N 3.07Å; D204-G209 VanDerWaalsContact O-N 3.08Å; D204-H210 WeakPolarHBondContact OD1-CA 3.47Å; D204-H210 IonicContact OD1-ND1 2.64Å; D204-H210 IonicContact OD2-CE1 2.7Å; D204-H210 IonicContact OD2-CG 2.68Å; D204-H210 IonicContact OD2-ND1 3.78Å; D204-H210 PolarHBondContact OD2-ND1 3.12Å; D204-R213 IonicContact OD1-CZ 2.73Å; D204-R213 VanDerWaalsContact OD1-CZ 3.27Å; D204-R213 IonicContact OD1-NH1 3.37Å; D204-R213 PolarHBondContact OD1-NH1 2.85Å; D204-R213 IonicContact OD1-NH2 3.48Å; D204-R213 PolarHBondContact OD1-NH2 3.31Å
205	N	94.4	Very high	94.5	Very high	123 Å²	123	56.1 Å²	56.1	66%	0.658	27%	0.274	S	S	*	.	H	α-helix	trans	-64.8	-40.7	176	-73.1	-25.6	0	0	0	112.2	R201 F203	R201-N205 VanDerWaalsContact O-CB 3.31Å; R201-N205 WeakPolarHBondContact O-CB 3.04Å; R201-N205 PolarHBondContact O-N 2.62Å; R201-N205 PolarHBondContact O-ND2 2.79Å; R201-N205 VanDerWaalsContact O-ND2 3.14Å; F203-N205 PolarHBondContact O-N 3.44Å
206	R	92	Very high	94.6	Very high	58 Å²	58	55.5 Å²	55.5	22%	0.219	27%	0.271	C	S	.	.	H	α-helix	trans	-72.5	-36.5	-178.4	-179.8	168.7	169.5	174.9	-8.5	112.5	K170 Y202 F203	K170-R206 PolarHBondContact O-NE 2.85Å; K170-R206 PolarHBondContact O-NH2 3.2Å; Y202-R206 VanDerWaalsContact O-CB 3.22Å; Y202-R206 WeakPolarHBondContact O-CB 3.23Å; Y202-R206 PolarHBondContact O-N 2.89Å; Y202-R206 WeakPolarHBondContact OH-CD 3.36Å; Y202-R206 PolarHBondContact OH-NH1 2.9Å; F203-R206 PolarHBondContact O-N 2.83Å
207	E	91.5	Very high	94.8	Very high	31 Å²	31	52.9 Å²	52.9	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-93	-5.7	-178.3	-63.1	178	163	0	0	112.5	S171 F203 G209 R213	S171-E207 WeakPolarHBondContact CA-OE1 3.4Å; S171-E207 WeakPolarHBondContact CB-OE1 3.32Å; F203-E207 VanDerWaalsContact O-CB 3.25Å; F203-E207 WeakPolarHBondContact O-CB 3.41Å; F203-E207 WeakPolarHBondContact O-CG 3.27Å; F203-E207 PolarHBondContact O-N 3.21Å; E207-G209 VanDerWaalsContact C-N 3.3Å; E207-G209 PolarHBondContact O-N 3.28Å; E207-R213 IonicContact OE2-CZ 3.3Å; E207-R213 IonicContact OE2-NE 3.64Å; E207-R213 PolarHBondContact OE2-NE 3.21Å; E207-R213 IonicContact OE2-NH2 3.75Å; E207-R213 PolarHBondContact OE2-NH2 3.3Å
208	K	91.1	Very high	95	Very high	197 Å²	197	52.3 Å²	52.3	86%	0.857	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	39.4	-179.3	-56.9	-176.1	177.3	-174.7	0	113.1	D204	D204-K208 VanDerWaalsContact O-CA 3.3Å; D204-K208 WeakPolarHBondContact O-CA 3.18Å; D204-K208 PolarHBondContact O-N 3.36Å
209	G	91.5	Very high	95.1	Very high	36 Å²	36	51.2 Å²	51.2	37%	0.371	24%	0.239	S	C	.	.	S	Bend	trans	173.7	155	179.4	0	0	0	0	0	112.4	D204 E207	D204-G209 WeakPolarHBondContact CA-O 3.45Å; D204-G209 PolarHBondContact O-N 3.07Å; D204-G209 VanDerWaalsContact O-N 3.08Å; E207-G209 VanDerWaalsContact C-N 3.3Å; E207-G209 PolarHBondContact O-N 3.28Å
210	H	93	Very high	95.1	Very high	113 Å²	113	51.2 Å²	51.2	52%	0.523	24%	0.239	S	C	.	.			trans	-77	141.6	175.9	-173.4	63.7	0	0	0	111.1	D200 D204	D200-H210 IonicContact OD2-CE1 2.66Å; D204-H210 WeakPolarHBondContact OD1-CA 3.47Å; D204-H210 IonicContact OD1-ND1 2.64Å; D204-H210 IonicContact OD2-CE1 2.7Å; D204-H210 IonicContact OD2-CG 2.68Å; D204-H210 IonicContact OD2-ND1 3.78Å; D204-H210 PolarHBondContact OD2-ND1 3.12Å
211	S	91.8	Very high	95.2	Very high	36 Å²	36	50.6 Å²	50.6	25%	0.252	24%	0.236	S	C	.	.			trans	-137.7	140	171.2	-71	0	0	0	0	108.9	R213	S211-R213 WeakPolarHBondContact O-CG 3.34Å; S211-R213 PolarHBondContact O-N 3.21Å; S211-R213 VanDerWaalsContact O-N 3.08Å; S211-R213 PolarHBondContact O-NH1 3.22Å
212	K	93.2	Very high	95.3	Very high	180 Å²	180	45 Å²	45	78%	0.783	21%	0.214	S	C	*	.			trans	-67.1	111.1	169.8	-170.6	175.1	-175.7	176	0	108.3	N118	N118-K212 VanDerWaalsContact CB-O 3.23Å; N118-K212 WeakPolarHBondContact CB-O 3.31Å; N118-K212 PolarHBondContact ND2-O 3.33Å
213	R	95.2	Very high	95.3	Very high	5 Å²	5	46.2 Å²	46.2	2%	0.019	22%	0.221	C	C	.	.			trans	-111.5	157.4	-179.9	-62.1	-175.2	-166.1	82.5	0.3	110	S97 N118 D200 F203 D204 E207 S211 Y215	S97-R213 WeakPolarHBondContact CB-O 3.49Å; N118-R213 HydrophobicContact CB-CG 4.19Å; N118-R213 WeakPolarHBondContact O-CB 3.38Å; N118-R213 WeakPolarHBondContact O-CG 3.34Å; D200-R213 IonicContact OD1-NH1 3.55Å; D200-R213 PolarHBondContact OD1-NH1 2.66Å; F203-R213 VanDerWaalsContact CB-CZ 3.47Å; D204-R213 IonicContact OD1-CZ 2.73Å; D204-R213 VanDerWaalsContact OD1-CZ 3.27Å; D204-R213 IonicContact OD1-NH1 3.37Å; D204-R213 PolarHBondContact OD1-NH1 2.85Å; D204-R213 IonicContact OD1-NH2 3.48Å; D204-R213 PolarHBondContact OD1-NH2 3.31Å; E207-R213 IonicContact OE2-CZ 3.3Å; E207-R213 IonicContact OE2-NE 3.64Å; E207-R213 PolarHBondContact OE2-NE 3.21Å; E207-R213 IonicContact OE2-NH2 3.75Å; E207-R213 PolarHBondContact OE2-NH2 3.3Å; S211-R213 WeakPolarHBondContact O-CG 3.34Å; S211-R213 PolarHBondContact O-N 3.21Å; S211-R213 VanDerWaalsContact O-N 3.08Å; S211-R213 PolarHBondContact O-NH1 3.22Å; R213-Y215 HydrophobicContact CB-CE1 4.3Å; R213-Y215 HydrophobicContact CB-CE2 3.99Å; R213-Y215 WeakPolarHBondContact CD-OH 3.33Å
214	R	95.8	Very high	95.4	Very high	72 Å²	72	46.2 Å²	46.2	27%	0.272	22%	0.222	S	C	.	.			trans	-112.5	137.8	163	-60.2	-172.2	-57.8	171.6	2.2	108.4	S97 V99 S110 S112 D119 V120 F216	S97-R214 WeakPolarHBondContact O-CA 3.32Å; V99-R214 HydrophobicContact CG2-CB 4Å; V99-R214 HydrophobicContact CG2-CG 4.47Å; S110-R214 PolarHBondContact O-NH1 3.37Å; S112-R214 PolarHBondContact O-NH2 3.29Å; D119-R214 WeakPolarHBondContact CA-O 3.21Å; D119-R214 IonicContact OD1-CZ 3.01Å; D119-R214 IonicContact OD1-NE 2.89Å; D119-R214 PolarHBondContact OD1-NE 2.87Å; D119-R214 IonicContact OD1-NH2 2.75Å; D119-R214 PolarHBondContact OD1-NH2 3.17Å; D119-R214 IonicContact OD2-CZ 3.5Å; D119-R214 IonicContact OD2-NE 3.25Å; D119-R214 IonicContact OD2-NH2 3.59Å; D119-R214 PolarHBondContact OD2-NH2 2.77Å; V120-R214 PolarHBondContact N-O 3.38Å; R214-F216 HydrophobicContact CB-CE2 3.77Å; R214-F216 HydrophobicContact CB-CZ 4.34Å
215	Y	97.9	Very high	95.5	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.9	-176.7	-64.7	-74.8	0	0	0	110.1	V94 S97 N98 V99 V120 V122 V199 D200 R213	V94-Y215 HydrophobicContact CB-CD2 4.21Å; V94-Y215 HydrophobicContact CB-CE2 4.36Å; V94-Y215 HydrophobicContact CG1-CD1 4.39Å; V94-Y215 HydrophobicContact CG1-CD2 4.02Å; V94-Y215 HydrophobicContact CG1-CG 3.93Å; V94-Y215 HydrophobicContact CG2-CD2 4.46Å; V94-Y215 HydrophobicContact CG2-CE2 4.17Å; S97-Y215 PolarHBondContact O-N 3.07Å; N98-Y215 CarbonylContact C-O 3.54Å; N98-Y215 VanDerWaalsContact CA-O 3.31Å; N98-Y215 WeakPolarHBondContact CA-O 2.83Å; N98-Y215 PolarHBondContact OD1-O 2.96Å; V99-Y215 PolarHBondContact N-O 2.82Å; V120-Y215 HydrophobicContact CB-CD1 3.83Å; V120-Y215 HydrophobicContact CB-CE1 3.95Å; V120-Y215 HydrophobicContact CG1-CD1 4.13Å; V120-Y215 HydrophobicContact CG1-CE1 4.22Å; V120-Y215 HydrophobicContact CG2-CE1 4.16Å; V122-Y215 HydrophobicContact CG2-CD1 3.91Å; V199-Y215 HydrophobicContact CG1-CD1 4.11Å; V199-Y215 HydrophobicContact CG1-CE1 3.76Å; D200-Y215 VanDerWaalsContact CA-OH 3.26Å; D200-Y215 WeakPolarHBondContact CA-OH 3.45Å; D200-Y215 HydrophobicContact CB-CE2 4.46Å; D200-Y215 VanDerWaalsContact CB-OH 3.32Å; D200-Y215 WeakPolarHBondContact CB-OH 3.2Å; D200-Y215 PolarHBondContact OD1-OH 2.74Å; R213-Y215 HydrophobicContact CB-CE1 4.3Å; R213-Y215 HydrophobicContact CB-CE2 3.99Å; R213-Y215 WeakPolarHBondContact CD-OH 3.33Å
216	F	98	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	90.8	178.7	-63.1	-100.7	0	0	0	107	V99 L104 F113 D119 V120 V122 R214 A327 F346	V99-F216 HydrophobicContact CB-CD1 3.91Å; V99-F216 HydrophobicContact CB-CE1 3.62Å; V99-F216 HydrophobicContact CB-CZ 4.03Å; V99-F216 HydrophobicContact CG1-CD1 4.25Å; V99-F216 HydrophobicContact CG1-CE1 3.68Å; V99-F216 HydrophobicContact CG1-CZ 4.29Å; V99-F216 HydrophobicContact CG2-CE1 3.99Å; V99-F216 HydrophobicContact CG2-CE2 4.3Å; V99-F216 HydrophobicContact CG2-CZ 3.85Å; L104-F216 HydrophobicContact CD1-CD1 4.25Å; L104-F216 HydrophobicContact CD1-CE1 4.37Å; L104-F216 HydrophobicContact CD2-CE1 3.98Å; L104-F216 HydrophobicContact CG-CE1 4.38Å; F113-F216 HydrophobicContact CB-CD1 4.48Å; F113-F216 HydrophobicContact CB-CE1 4.21Å; F113-F216 HydrophobicContact CB-CZ 4.33Å; F113-F216 HydrophobicContact CD2-CD1 4.3Å; F113-F216 AromaticContact CD2-CD2 3.54Å; F113-F216 HydrophobicContact CD2-CD2 3.54Å; F113-F216 HydrophobicContact CD2-CE1 4.41Å; F113-F216 AromaticContact CD2-CE2 3.7Å; F113-F216 HydrophobicContact CD2-CE2 3.7Å; F113-F216 AromaticContact CD2-CG 3.86Å; F113-F216 HydrophobicContact CD2-CG 3.86Å; F113-F216 HydrophobicContact CD2-CZ 4.13Å; F113-F216 HydrophobicContact CE2-CD2 4.02Å; F113-F216 HydrophobicContact CE2-CE2 4.4Å; D119-F216 HydrophobicContact CB-CD2 4.29Å; D119-F216 HydrophobicContact CB-CE2 3.7Å; V120-F216 PolarHBondContact O-N 3.09Å; V122-F216 PolarHBondContact N-O 3.24Å; R214-F216 HydrophobicContact CB-CE2 3.77Å; R214-F216 HydrophobicContact CB-CZ 4.34Å; F216-A327 HydrophobicContact CB-CB 3.97Å; F216-A327 HydrophobicContact CD1-CB 4.1Å; F216-F346 HydrophobicContact CB-CE1 3.87Å; F216-F346 HydrophobicContact CB-CZ 4.4Å; F216-F346 AromaticContact CD1-CE1 3.95Å; F216-F346 HydrophobicContact CD1-CE1 3.95Å; F216-F346 HydrophobicContact CG-CE1 4.19Å
217	I	98.6	Very high	95.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.1	-175.7	-57.9	167	0	0	0	109.3	N98 V122 W190 V194 M326 A327	N98-I217 HydrophobicContact CB-CD1 4.3Å; N98-I217 VanDerWaalsContact OD1-CD1 3.28Å; N98-I217 WeakPolarHBondContact OD1-CD1 3.35Å; N98-I217 VanDerWaalsContact OD1-CG1 3.29Å; N98-I217 WeakPolarHBondContact OD1-CG1 3.27Å; V122-I217 HydrophobicContact CB-CG1 4.36Å; V122-I217 CarbonylContact O-C 3.28Å; W190-I217 HydrophobicContact CE3-CD1 4.42Å; W190-I217 HydrophobicContact CE3-CG2 4.44Å; W190-I217 HydrophobicContact CH2-CD1 3.68Å; W190-I217 HydrophobicContact CZ2-CD1 4.5Å; W190-I217 HydrophobicContact CZ3-CB 4.44Å; W190-I217 HydrophobicContact CZ3-CD1 3.63Å; W190-I217 HydrophobicContact CZ3-CG2 3.99Å; V194-I217 HydrophobicContact CG1-CD1 4.34Å; V194-I217 HydrophobicContact CG2-CD1 3.47Å; V194-I217 VanDerWaalsContact CG2-CD1 3.47Å; V194-I217 HydrophobicContact CG2-CG1 4.5Å; I217-M326 HydrophobicContact CB-CG 4.25Å; I217-M326 HydrophobicContact CG2-CE 3.97Å; I217-M326 HydrophobicContact CG2-CG 3.97Å; I217-M326 HydrophobicContact CG2-SD 4.34Å; I217-M326 WeakPolarHBondContact O-CB 3.4Å; I217-A327 PolarHBondContact O-N 2.89Å; I217-A327 VanDerWaalsContact O-N 3.07Å
218	T	98.7	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.3	-177.1	64	0	0	0	0	111.7	L121 V122 F123 L124 F328 F346	L121-T218 HydrophobicContact CD1-CG2 4.23Å; L121-T218 HydrophobicContact CG-CG2 4.25Å; V122-T218 PolarHBondContact O-N 2.98Å; V122-T218 PolarHBondContact O-OG1 3.32Å; F123-T218 WeakPolarHBondContact CA-O 3.07Å; F123-T218 WeakPolarHBondContact CD2-OG1 3.31Å; L124-T218 PolarHBondContact N-O 3.22Å; T218-F328 WeakPolarHBondContact CA-O 3.35Å; T218-F328 HydrophobicContact CG2-CB 3.98Å; T218-F328 HydrophobicContact CG2-CD1 4.23Å; T218-F346 HydrophobicContact CG2-CE2 4.08Å; T218-F346 HydrophobicContact CG2-CZ 3.68Å
219	T	98.8	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	178.1	176.7	-168.3	0	0	0	0	111.6	L124 L221 L292 M326 F328 F329 G330	L124-T219 PolarHBondContact O-OG1 3.35Å; T219-L221 HydrophobicContact CG2-CD1 4.19Å; T219-L292 HydrophobicContact CG2-CD2 4.16Å; T219-M326 HydrophobicContact CG2-CE 4.15Å; T219-M326 HydrophobicContact CG2-SD 3.48Å; T219-M326 WeakPolarHBondContact CG2-SD 3.48Å; T219-F328 PolarHBondContact N-O 3.22Å; T219-F329 HydrophobicContact CG2-CB 3.61Å; T219-F329 VanDerWaalsContact O-CA 3.27Å; T219-F329 WeakPolarHBondContact O-CA 3.38Å; T219-G330 PolarHBondContact O-N 3.46Å; T219-G330 VanDerWaalsContact O-N 3.13Å
220	F	98.2	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.8	167.2	-100.5	-93.4	0	0	0	110.2	F123 T129 F134 F328 G330 M335	F123-F220 HydrophobicContact CE2-CD2 4.04Å; F123-F220 HydrophobicContact CZ-CB 4.42Å; F123-F220 HydrophobicContact CZ-CD2 4.26Å; T129-F220 WeakPolarHBondContact CB-O 3.4Å; T129-F220 WeakPolarHBondContact O-CB 3.45Å; T129-F220 PolarHBondContact OG1-O 3.42Å; F134-F220 HydrophobicContact CB-CD2 3.81Å; F134-F220 HydrophobicContact CB-CE2 3.64Å; F134-F220 HydrophobicContact CB-CZ 4.29Å; F134-F220 AromaticContact CD1-CD2 3.75Å; F134-F220 HydrophobicContact CD1-CD2 3.75Å; F134-F220 AromaticContact CD1-CE2 3.6Å; F134-F220 HydrophobicContact CD1-CE2 3.6Å; F134-F220 HydrophobicContact CD2-CD2 4.14Å; F134-F220 AromaticContact CD2-CE2 3.21Å; F134-F220 HydrophobicContact CD2-CE2 3.21Å; F134-F220 AromaticContact CD2-CZ 3.75Å; F134-F220 HydrophobicContact CD2-CZ 3.75Å; F134-F220 HydrophobicContact CE1-CD2 4.28Å; F134-F220 AromaticContact CE1-CE2 3.94Å; F134-F220 HydrophobicContact CE1-CE2 3.94Å; F134-F220 AromaticContact CE2-CE2 3.62Å; F134-F220 HydrophobicContact CE2-CE2 3.62Å; F134-F220 HydrophobicContact CE2-CZ 4.23Å; F134-F220 AromaticContact CG-CD2 3.63Å; F134-F220 HydrophobicContact CG-CD2 3.63Å; F134-F220 AromaticContact CG-CE2 3.18Å; F134-F220 HydrophobicContact CG-CE2 3.18Å; F134-F220 HydrophobicContact CG-CZ 4.05Å; F134-F220 AromaticContact CZ-CE2 3.95Å; F134-F220 HydrophobicContact CZ-CE2 3.95Å; F220-F328 HydrophobicContact CD2-CE1 4.49Å; F220-F328 AromaticContact CE2-CE1 3.79Å; F220-F328 HydrophobicContact CE2-CE1 3.79Å; F220-F328 HydrophobicContact CE2-CZ 4.12Å; F220-F328 HydrophobicContact CZ-CE1 4.32Å; F220-F328 HydrophobicContact CZ-CZ 4.19Å; F220-G330 WeakPolarHBondContact CA-O 3.27Å; F220-G330 VanDerWaalsContact CD1-C 3.43Å; F220-G330 WeakPolarHBondContact CD1-O 3.28Å; F220-G330 VanDerWaalsContact CE1-C 3.48Å; F220-G330 VanDerWaalsContact CE1-CA 3.44Å; F220-M335 HydrophobicContact CD1-CE 3.73Å; F220-M335 HydrophobicContact CE1-CE 3.12Å; F220-M335 HydrophobicContact CZ-CE 4Å
221	L	98.5	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	165.6	173	-60.9	102.6	0	0	0	110.9	T219 L292 L323 F329 G330 L331 Q332 Y385 A388	T219-L221 HydrophobicContact CG2-CD1 4.19Å; L221-L292 HydrophobicContact CD2-CD1 3.89Å; L221-L323 HydrophobicContact CD1-CD2 3.94Å; L221-L323 HydrophobicContact CD2-CD2 4.38Å; L221-F329 HydrophobicContact CD1-CB 3.89Å; L221-F329 HydrophobicContact CD1-CD2 3.46Å; L221-F329 VanDerWaalsContact CD1-CD2 3.46Å; L221-F329 HydrophobicContact CD1-CE2 4.21Å; L221-F329 HydrophobicContact CD1-CG 3.86Å; L221-G330 PolarHBondContact N-O 2.84Å; L221-L331 HydrophobicContact CB-CD2 4.08Å; L221-L331 HydrophobicContact CD1-CD2 4.49Å; L221-Q332 WeakPolarHBondContact O-CB 3.46Å; L221-Q332 PolarHBondContact O-N 3.23Å; L221-Y385 HydrophobicContact CB-CD2 4.08Å; L221-Y385 HydrophobicContact CB-CE2 4.3Å; L221-A388 HydrophobicContact CD1-CB 4.23Å; L221-A388 HydrophobicContact CD2-CB 3.9Å
222	R	96.7	Very high	96.7	Very high	25 Å²	25	19.5 Å²	19.5	9%	0.094	9%	0.091	C	C	.	.			trans	-147.2	151.8	178.4	-179.5	-179.1	-179.9	163.7	3.7	109.8	K128 T129 R227 S230 Q288 Q332 E333 Y385	K128-R222 WeakPolarHBondContact O-CD 3.43Å; K128-R222 PolarHBondContact O-NH1 3.3Å; T129-R222 HydrophobicContact CG2-CB 4.08Å; R222-R227 HydrophobicContact CB-CB 4.09Å; R222-R227 HydrophobicContact CB-CG 4.35Å; R222-R227 HydrophobicContact CG-CB 4Å; R222-S230 PolarHBondContact NH1-OG 3.27Å; R222-Q288 PolarHBondContact O-NE2 3.33Å; R222-Q288 PolarHBondContact O-OE1 3.29Å; R222-Q332 HydrophobicContact CB-CB 3.78Å; R222-Q332 HydrophobicContact CB-CG 4.42Å; R222-Q332 HydrophobicContact CG-CB 3.82Å; R222-Q332 HydrophobicContact CG-CG 4Å; R222-E333 WeakPolarHBondContact CG-OE1 3.39Å; R222-Y385 VanDerWaalsContact C-CD2 3.5Å; R222-Y385 VanDerWaalsContact O-CD2 3.26Å; R222-Y385 WeakPolarHBondContact O-CD2 3.29Å; R222-Y385 WeakPolarHBondContact O-CE2 3.32Å
223	E	96.8	Very high	96.8	Very high	61 Å²	61	13.8 Å²	13.8	29%	0.285	6%	0.064	S	C	.	.			trans	-49.5	123.2	172.7	-168.1	-72.9	121.3	0	0	109.6	V225 A226 R227 E333 Y385	E223-V225 PolarHBondContact O-N 3.12Å; E223-V225 WeakPolarHBondContact OE1-CB 3.29Å; E223-V225 PolarHBondContact OE1-N 3.28Å; E223-V225 WeakPolarHBondContact OE2-CB 3.19Å; E223-V225 PolarHBondContact OE2-N 3.1Å; E223-A226 HydrophobicContact CB-CB 4.37Å; E223-A226 PolarHBondContact O-N 3.32Å; E223-A226 VanDerWaalsContact OE2-CB 3.28Å; E223-A226 WeakPolarHBondContact OE2-CB 3.44Å; E223-A226 PolarHBondContact OE2-N 3.1Å; E223-R227 VanDerWaalsContact O-CB 3.3Å; E223-R227 WeakPolarHBondContact O-CB 3.41Å; E223-R227 PolarHBondContact O-N 3.08Å; E223-E333 HydrophobicContact CB-CG 4.4Å; E223-E333 WeakPolarHBondContact CB-OE1 3.43Å; E223-E333 PolarHBondContact N-OE1 3.33Å; E223-E333 PolarHBondContact N-OE2 2.94Å; E223-Y385 HydrophobicContact CB-CE1 4.19Å; E223-Y385 HydrophobicContact CG-CE1 4.4Å; E223-Y385 VanDerWaalsContact N-CE2 3.32Å
224	P	97.7	Very high	96.7	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-39.5	-167.7	-32.5	39.4	0	0	0	116	R227 F228 N378 D381 I382 Y385	P224-R227 PolarHBondContact O-N 3.3Å; P224-R227 PolarHBondContact O-NH2 3.26Å; P224-F228 WeakPolarHBondContact O-CB 3.49Å; P224-F228 PolarHBondContact O-N 3.39Å; P224-N378 HydrophobicContact CB-CB 4.33Å; P224-D381 HydrophobicContact CB-CB 3.74Å; P224-D381 VanDerWaalsContact CG-C 3.4Å; P224-D381 HydrophobicContact CG-CB 3.82Å; P224-D381 VanDerWaalsContact CG-O 3.32Å; P224-D381 WeakPolarHBondContact CG-O 3.34Å; P224-I382 HydrophobicContact CB-CG1 3.86Å; P224-I382 HydrophobicContact CG-CB 4.47Å; P224-I382 HydrophobicContact CG-CG1 3.91Å; P224-Y385 HydrophobicContact CG-CG 4.24Å
225	V	95.8	Very high	96.7	Very high	18 Å²	18	14 Å²	14	11%	0.109	7%	0.068	C	C	.	.	H	α-helix	trans	-67.7	-47.5	179.7	176.4	0	0	0	0	109.8	E223 R227 F228 I229 I374 A375	E223-V225 PolarHBondContact O-N 3.12Å; E223-V225 WeakPolarHBondContact OE1-CB 3.29Å; E223-V225 PolarHBondContact OE1-N 3.28Å; E223-V225 WeakPolarHBondContact OE2-CB 3.19Å; E223-V225 PolarHBondContact OE2-N 3.1Å; V225-R227 VanDerWaalsContact C-N 3.31Å; V225-R227 PolarHBondContact O-N 3.1Å; V225-F228 WeakPolarHBondContact O-CB 3.26Å; V225-F228 PolarHBondContact O-N 2.79Å; V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.43Å; V225-I229 PolarHBondContact O-N 3.42Å; V225-I374 HydrophobicContact CB-CG2 4.3Å; V225-I374 HydrophobicContact CG1-CB 4.42Å; V225-I374 HydrophobicContact CG1-CG2 3.88Å; V225-I374 HydrophobicContact CG2-CG2 4.34Å; V225-A375 HydrophobicContact CG2-CB 3.94Å
226	A	94.7	Very high	96.6	Very high	28 Å²	28	16.4 Å²	16.4	23%	0.231	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-38.4	175.8	0	0	0	0	0	112	E223 S230	E223-A226 HydrophobicContact CB-CB 4.37Å; E223-A226 PolarHBondContact O-N 3.32Å; E223-A226 VanDerWaalsContact OE2-CB 3.28Å; E223-A226 WeakPolarHBondContact OE2-CB 3.44Å; E223-A226 PolarHBondContact OE2-N 3.1Å; A226-S230 WeakPolarHBondContact O-CB 3.1Å; A226-S230 PolarHBondContact O-N 2.86Å
227	R	96.3	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.6	-45.2	174.1	-173.7	-71.3	-39.6	156	7.4	110.6	K128 T129 R222 E223 P224 V225 S230 E231 A284 N378 D381	K128-R227 HydrophobicContact CB-CG 4.14Å; T129-R227 HydrophobicContact CG2-CG 4.09Å; R222-R227 HydrophobicContact CB-CB 4.09Å; R222-R227 HydrophobicContact CB-CG 4.35Å; R222-R227 HydrophobicContact CG-CB 4Å; E223-R227 VanDerWaalsContact O-CB 3.3Å; E223-R227 WeakPolarHBondContact O-CB 3.41Å; E223-R227 PolarHBondContact O-N 3.08Å; P224-R227 PolarHBondContact O-N 3.3Å; P224-R227 PolarHBondContact O-NH2 3.26Å; V225-R227 VanDerWaalsContact C-N 3.31Å; V225-R227 PolarHBondContact O-N 3.1Å; R227-S230 WeakPolarHBondContact O-CB 3.27Å; R227-S230 PolarHBondContact O-N 2.69Å; R227-E231 IonicContact CZ-OE2 2.64Å; R227-E231 IonicContact NH1-OE2 3.84Å; R227-E231 PolarHBondContact NH1-OE2 3.29Å; R227-E231 WeakPolarHBondContact O-CB 3.22Å; R227-E231 PolarHBondContact O-N 3.35Å; R227-A284 VanDerWaalsContact CZ-O 3.26Å; R227-A284 PolarHBondContact NH1-O 3.46Å; R227-A284 PolarHBondContact NH2-O 3.37Å; R227-N378 PolarHBondContact NH2-OD1 3.46Å; R227-D381 IonicContact NH2-OD2 2.71Å
228	F	97.2	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-50.8	177.8	-168.9	-90.4	0	0	0	111.6	P224 V225 S230 E231 F232 L273 F276 I277 A284 F285 I374 V377 N378	P224-F228 WeakPolarHBondContact O-CB 3.49Å; P224-F228 PolarHBondContact O-N 3.39Å; V225-F228 WeakPolarHBondContact O-CB 3.26Å; V225-F228 PolarHBondContact O-N 2.79Å; F228-S230 VanDerWaalsContact C-N 3.27Å; F228-S230 PolarHBondContact O-N 2.03Å; F228-E231 WeakPolarHBondContact O-CB 3.37Å; F228-E231 PolarHBondContact O-N 3.35Å; F228-E231 VanDerWaalsContact O-N 3.08Å; F228-F232 WeakPolarHBondContact O-CB 3.44Å; F228-F232 PolarHBondContact O-N 3.19Å; F228-L273 HydrophobicContact CE1-CD1 4.26Å; F228-F276 HydrophobicContact CD1-CE1 4.38Å; F228-F276 HydrophobicContact CD2-CE1 4.42Å; F228-F276 AromaticContact CE1-CD1 3.61Å; F228-F276 HydrophobicContact CE1-CD1 3.61Å; F228-F276 AromaticContact CE1-CE1 3.71Å; F228-F276 HydrophobicContact CE1-CE1 3.71Å; F228-F276 HydrophobicContact CE2-CD1 4.22Å; F228-F276 AromaticContact CE2-CE1 3.74Å; F228-F276 HydrophobicContact CE2-CE1 3.74Å; F228-F276 AromaticContact CZ-CD1 3.38Å; F228-F276 HydrophobicContact CZ-CD1 3.38Å; F228-F276 AromaticContact CZ-CE1 3.35Å; F228-F276 HydrophobicContact CZ-CE1 3.35Å; F228-I277 HydrophobicContact CE1-CG1 4.21Å; F228-I277 HydrophobicContact CZ-CG1 4.09Å; F228-A284 HydrophobicContact CD2-CB 3.9Å; F228-A284 WeakPolarHBondContact CD2-O 3.35Å; F228-A284 HydrophobicContact CE2-CB 3.63Å; F228-F285 AromaticContact CE2-CD1 3.71Å; F228-F285 HydrophobicContact CE2-CD1 3.71Å; F228-F285 HydrophobicContact CE2-CE1 4.02Å; F228-F285 HydrophobicContact CZ-CD1 4.22Å; F228-F285 HydrophobicContact CZ-CE1 4.07Å; F228-I374 HydrophobicContact CB-CG2 3.68Å; F228-I374 HydrophobicContact CD1-CB 4.29Å; F228-I374 HydrophobicContact CD1-CD1 4.17Å; F228-I374 HydrophobicContact CD1-CG1 3.89Å; F228-I374 HydrophobicContact CD1-CG2 3.5Å; F228-I374 VanDerWaalsContact CD1-CG2 3.5Å; F228-I374 HydrophobicContact CE1-CG1 4Å; F228-I374 HydrophobicContact CE1-CG2 4.25Å; F228-I374 HydrophobicContact CG-CG2 3.7Å; F228-V377 HydrophobicContact CE2-CG2 4.32Å; F228-V377 HydrophobicContact CZ-CG2 4.3Å; F228-N378 WeakPolarHBondContact CD2-ND2 3.07Å; F228-N378 WeakPolarHBondContact CD2-OD1 3.42Å; F228-N378 WeakPolarHBondContact CG-ND2 3.37Å
229	I	95.6	Very high	96	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.036	13%	0.133	C	C	.	.	H	α-helix	trans	-56.5	-44.8	177	-71.8	168.3	0	0	0	110.6	V225 E231 F232 R233 T361 F366 I374	V225-I229 HydrophobicContact CG1-CD1 3.96Å; V225-I229 WeakPolarHBondContact O-CG1 3.43Å; V225-I229 PolarHBondContact O-N 3.42Å; I229-E231 VanDerWaalsContact C-N 3.31Å; I229-E231 PolarHBondContact O-N 2.89Å; I229-F232 PolarHBondContact O-N 3.21Å; I229-R233 HydrophobicContact CG2-CG 4.49Å; I229-R233 WeakPolarHBondContact O-CB 3.4Å; I229-R233 VanDerWaalsContact O-CG 3.31Å; I229-R233 WeakPolarHBondContact O-CG 3.17Å; I229-R233 PolarHBondContact O-N 3.24Å; I229-T361 HydrophobicContact CG2-CG2 4.12Å; I229-F366 HydrophobicContact CB-CE2 4.26Å; I229-F366 HydrophobicContact CD1-CD2 3.9Å; I229-F366 HydrophobicContact CD1-CE2 4.26Å; I229-F366 HydrophobicContact CD1-CG 4.16Å; I229-F366 HydrophobicContact CG1-CD2 4.16Å; I229-F366 HydrophobicContact CG1-CE1 4.48Å; I229-F366 HydrophobicContact CG1-CE2 4.06Å; I229-F366 HydrophobicContact CG1-CG 4.45Å; I229-F366 HydrophobicContact CG1-CZ 4.21Å; I229-F366 HydrophobicContact CG2-CD2 3.96Å; I229-F366 HydrophobicContact CG2-CE2 3.31Å; I229-F366 HydrophobicContact CG2-CZ 3.83Å; I229-I374 HydrophobicContact CD1-CD1 4.21Å; I229-I374 HydrophobicContact CG1-CD1 3.71Å
230	S	94.5	Very high	95.6	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-35.3	179	-166.6	0	0	0	0	112.7	K128 R222 A226 R227 F228 H234	K128-S230 WeakPolarHBondContact CE-O 3.48Å; K128-S230 WeakPolarHBondContact CE-OG 2.96Å; K128-S230 PolarHBondContact NZ-O 3.42Å; K128-S230 PolarHBondContact NZ-OG 3.15Å; R222-S230 PolarHBondContact NH1-OG 3.27Å; A226-S230 WeakPolarHBondContact O-CB 3.1Å; A226-S230 PolarHBondContact O-N 2.86Å; R227-S230 WeakPolarHBondContact O-CB 3.27Å; R227-S230 PolarHBondContact O-N 2.69Å; F228-S230 VanDerWaalsContact C-N 3.27Å; F228-S230 PolarHBondContact O-N 2.03Å; S230-H234 WeakPolarHBondContact O-CB 3.47Å; S230-H234 PolarHBondContact O-N 2.91Å
231	E	96.1	Very high	95.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-72.6	-49.9	175.9	-169.7	163.8	169.3	0	0	111.7	K128 R227 F228 I229 R233 H234 V235 W241 R287	K128-E231 HydrophobicContact CG-CB 3.77Å; K128-E231 HydrophobicContact CG-CG 4.21Å; R227-E231 IonicContact CZ-OE2 2.64Å; R227-E231 IonicContact NH1-OE2 3.84Å; R227-E231 PolarHBondContact NH1-OE2 3.29Å; R227-E231 WeakPolarHBondContact O-CB 3.22Å; R227-E231 PolarHBondContact O-N 3.35Å; F228-E231 WeakPolarHBondContact O-CB 3.37Å; F228-E231 PolarHBondContact O-N 3.35Å; F228-E231 VanDerWaalsContact O-N 3.08Å; I229-E231 VanDerWaalsContact C-N 3.31Å; I229-E231 PolarHBondContact O-N 2.89Å; E231-R233 PolarHBondContact O-N 3.27Å; E231-H234 WeakPolarHBondContact O-CA 3.07Å; E231-H234 VanDerWaalsContact O-CB 3.29Å; E231-H234 WeakPolarHBondContact O-CB 3.32Å; E231-H234 PolarHBondContact O-N 3.48Å; E231-V235 WeakPolarHBondContact O-CG2 3.32Å; E231-V235 PolarHBondContact O-N 3.38Å; E231-W241 HydrophobicContact CG-CZ2 3.76Å; E231-W241 WeakPolarHBondContact OE1-CZ2 3.03Å; E231-R287 IonicContact OE1-CZ 3.16Å; E231-R287 IonicContact OE1-NE 2.68Å; E231-R287 PolarHBondContact OE1-NE 2.9Å; E231-R287 IonicContact OE1-NH2 2.69Å; E231-R287 PolarHBondContact OE1-NH2 3.4Å; E231-R287 IonicContact OE2-NE 3.23Å; E231-R287 PolarHBondContact OE2-NE 3.07Å
232	F	96.2	Very high	94.6	Very high	4 Å²	4	36 Å²	36	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-51	-53.5	173.4	163.8	-116.4	0	0	0	111.5	F228 I229 H234 V235 Q236 V271 L273 F276 F366	F228-F232 WeakPolarHBondContact O-CB 3.44Å; F228-F232 PolarHBondContact O-N 3.19Å; I229-F232 PolarHBondContact O-N 3.21Å; F232-H234 PolarHBondContact O-N 3.4Å; F232-V235 PolarHBondContact O-N 3.05Å; F232-V235 VanDerWaalsContact O-N 3.1Å; F232-Q236 WeakPolarHBondContact O-CB 3.44Å; F232-Q236 PolarHBondContact O-N 3.13Å; F232-V271 HydrophobicContact CD2-CG1 4.35Å; F232-V271 HydrophobicContact CE2-CG1 4.06Å; F232-V271 WeakPolarHBondContact CE2-O 3.3Å; F232-L273 HydrophobicContact CD1-CD1 4.3Å; F232-L273 HydrophobicContact CE1-CB 4.35Å; F232-L273 HydrophobicContact CE1-CD1 4.39Å; F232-L273 HydrophobicContact CE2-CB 4.44Å; F232-L273 HydrophobicContact CG-CD1 4.39Å; F232-L273 HydrophobicContact CZ-CB 4.02Å; F232-F276 HydrophobicContact CB-CD1 3.91Å; F232-F276 HydrophobicContact CB-CE1 3.84Å; F232-F276 HydrophobicContact CB-CG 4.45Å; F232-F276 HydrophobicContact CB-CZ 4.31Å; F232-F276 HydrophobicContact CD2-CB 3.72Å; F232-F276 AromaticContact CD2-CD1 3.87Å; F232-F276 HydrophobicContact CD2-CD1 3.87Å; F232-F276 HydrophobicContact CD2-CD2 4.09Å; F232-F276 AromaticContact CD2-CG 3.63Å; F232-F276 HydrophobicContact CD2-CG 3.63Å; F232-F276 HydrophobicContact CE2-CB 4.03Å; F232-F276 HydrophobicContact CE2-CG 4.41Å; F232-F276 HydrophobicContact CG-CD1 4.27Å; F232-F276 HydrophobicContact CG-CG 4.46Å; F232-F366 HydrophobicContact CD1-CE1 4.16Å; F232-F366 AromaticContact CD1-CZ 3.82Å; F232-F366 HydrophobicContact CD1-CZ 3.82Å; F232-F366 HydrophobicContact CE1-CE1 4.04Å; F232-F366 AromaticContact CE1-CZ 3.86Å; F232-F366 HydrophobicContact CE1-CZ 3.86Å
233	R	95.1	Very high	94.3	Very high	59 Å²	59	38.6 Å²	38.6	22%	0.223	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-29.4	178.4	-66.9	-62.8	-169.4	-178.3	-0.6	112.6	I229 E231 R237 T361	I229-R233 HydrophobicContact CG2-CG 4.49Å; I229-R233 WeakPolarHBondContact O-CB 3.4Å; I229-R233 VanDerWaalsContact O-CG 3.31Å; I229-R233 WeakPolarHBondContact O-CG 3.17Å; I229-R233 PolarHBondContact O-N 3.24Å; E231-R233 PolarHBondContact O-N 3.27Å; R233-R237 WeakPolarHBondContact O-CG 3.44Å; R233-R237 PolarHBondContact O-N 3.39Å; R233-R237 PolarHBondContact O-NH1 3.11Å; R233-R237 VanDerWaalsContact O-NH1 3.09Å; R233-T361 HydrophobicContact CG-CG2 3.9Å
234	H	94.5	Very high	94.1	Very high	80 Å²	80	36.3 Å²	36.3	37%	0.37	19%	0.191	S	C	.	.	H	α-helix	trans	-68.1	-43	174.8	-167.8	38.2	0	0	0	111.3	K128 S230 E231 F232 R237 A239	K128-H234 HydrophobicContact CD-CB 4.38Å; S230-H234 WeakPolarHBondContact O-CB 3.47Å; S230-H234 PolarHBondContact O-N 2.91Å; E231-H234 WeakPolarHBondContact O-CA 3.07Å; E231-H234 VanDerWaalsContact O-CB 3.29Å; E231-H234 WeakPolarHBondContact O-CB 3.32Å; E231-H234 PolarHBondContact O-N 3.48Å; F232-H234 PolarHBondContact O-N 3.4Å; H234-R237 PolarHBondContact O-N 3.48Å; H234-A239 WeakPolarHBondContact NE2-CB 3.39Å; H234-A239 VanDerWaalsContact O-CB 3.26Å; H234-A239 WeakPolarHBondContact O-CB 3.36Å; H234-A239 PolarHBondContact O-N 3.16Å
235	V	95.6	Very high	93.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-43.4	176.3	175	0	0	0	0	111.4	E231 F232 R237 G238 A239 W241 W268 V271 F276	E231-V235 WeakPolarHBondContact O-CG2 3.32Å; E231-V235 PolarHBondContact O-N 3.38Å; F232-V235 PolarHBondContact O-N 3.05Å; F232-V235 VanDerWaalsContact O-N 3.1Å; V235-R237 PolarHBondContact O-N 2.72Å; V235-R237 VanDerWaalsContact O-N 3.1Å; V235-G238 WeakPolarHBondContact O-CA 3.41Å; V235-G238 PolarHBondContact O-N 3.22Å; V235-A239 VanDerWaalsContact CA-O 3.3Å; V235-A239 WeakPolarHBondContact CA-O 3.4Å; V235-W241 HydrophobicContact CG2-CH2 3.79Å; V235-W241 HydrophobicContact CG2-CZ2 3.48Å; V235-W241 VanDerWaalsContact CG2-CZ2 3.48Å; V235-W268 HydrophobicContact CG1-CB 3.91Å; V235-W268 HydrophobicContact CG1-CD2 3.9Å; V235-W268 HydrophobicContact CG1-CE3 3.5Å; V235-W268 HydrophobicContact CG1-CG 4.1Å; V235-W268 HydrophobicContact CG1-CZ3 4.27Å; V235-V271 HydrophobicContact CG1-CG1 3.94Å; V235-F276 HydrophobicContact CB-CE2 4.1Å; V235-F276 HydrophobicContact CG1-CD2 4.45Å; V235-F276 HydrophobicContact CG1-CE2 4.14Å; V235-F276 HydrophobicContact CG2-CE2 4.01Å
236	Q	95	Very high	93.9	Very high	53 Å²	53	39.3 Å²	39.3	25%	0.248	21%	0.208	C	C	.	.	H	α-helix	trans	-56.3	-29.5	175.8	-170.1	175	59.8	0	0	112.7	F232 G238 G270 V271	F232-Q236 WeakPolarHBondContact O-CB 3.44Å; F232-Q236 PolarHBondContact O-N 3.13Å; Q236-G238 VanDerWaalsContact C-N 3.26Å; Q236-G238 PolarHBondContact O-N 3.49Å; Q236-G270 PolarHBondContact O-N 3.38Å; Q236-V271 HydrophobicContact CB-CG1 4.27Å; Q236-V271 PolarHBondContact NE2-O 2.91Å
237	R	95.2	Very high	93.9	Very high	159 Å²	159	41.1 Å²	41.1	60%	0.6	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	7.9	173.6	-69.1	-170	-61	-88.6	6.7	114.5	R233 H234 V235	R233-R237 WeakPolarHBondContact O-CG 3.44Å; R233-R237 PolarHBondContact O-N 3.39Å; R233-R237 PolarHBondContact O-NH1 3.11Å; R233-R237 VanDerWaalsContact O-NH1 3.09Å; H234-R237 PolarHBondContact O-N 3.48Å; V235-R237 PolarHBondContact O-N 2.72Å; V235-R237 VanDerWaalsContact O-N 3.1Å
238	G	94.2	Very high	93.9	Very high	31 Å²	31	41.3 Å²	41.3	32%	0.32	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	9.5	176.4	0	0	0	0	0	115.5	V235 Q236 T269	V235-G238 WeakPolarHBondContact O-CA 3.41Å; V235-G238 PolarHBondContact O-N 3.22Å; Q236-G238 VanDerWaalsContact C-N 3.26Å; Q236-G238 PolarHBondContact O-N 3.49Å; G238-T269 WeakPolarHBondContact CA-OG1 3.5Å
239	A	93.2	Very high	93.7	Very high	24 Å²	24	46.3 Å²	46.3	20%	0.198	24%	0.241	C	C	.	.			trans	-75	141.8	169.1	0	0	0	0	0	110.4	H234 V235	H234-A239 WeakPolarHBondContact NE2-CB 3.39Å; H234-A239 VanDerWaalsContact O-CB 3.26Å; H234-A239 WeakPolarHBondContact O-CB 3.36Å; H234-A239 PolarHBondContact O-N 3.16Å; V235-A239 VanDerWaalsContact CA-O 3.3Å; V235-A239 WeakPolarHBondContact CA-O 3.4Å
240	T	90.5	Very high	93.6	Very high	43 Å²	43	49.4 Å²	49.4	26%	0.264	28%	0.275	S	S	.	.			trans	-135	166.6	176.5	72.7	0	0	0	0	110.8	F262	T240-F262 VanDerWaalsContact CB-CZ 3.49Å; T240-F262 HydrophobicContact CG2-CD2 4.45Å; T240-F262 HydrophobicContact CG2-CE1 4.4Å; T240-F262 HydrophobicContact CG2-CE2 3.78Å; T240-F262 HydrophobicContact CG2-CZ 3.78Å
241	W	87.2	Confident	93.6	Very high	34 Å²	34	54.1 Å²	54.1	13%	0.129	29%	0.292	C	S	.	.			trans	-101.4	17.3	173.5	-43.6	-71.8	0	0	0	112.8	E231 V235 S243 S244 W268 F276	E231-W241 HydrophobicContact CG-CZ2 3.76Å; E231-W241 WeakPolarHBondContact OE1-CZ2 3.03Å; V235-W241 HydrophobicContact CG2-CH2 3.79Å; V235-W241 HydrophobicContact CG2-CZ2 3.48Å; V235-W241 VanDerWaalsContact CG2-CZ2 3.48Å; W241-S243 PolarHBondContact O-N 2.84Å; W241-S244 WeakPolarHBondContact O-CB 3.3Å; W241-S244 PolarHBondContact O-N 3.22Å; W241-W268 HydrophobicContact CH2-CZ3 4.2Å; W241-W268 HydrophobicContact CZ3-CE3 4.41Å; W241-W268 AromaticContact CZ3-CZ3 3.89Å; W241-W268 HydrophobicContact CZ3-CZ3 3.89Å; W241-F276 AromaticContact CH2-CE2 3.73Å; W241-F276 HydrophobicContact CH2-CE2 3.73Å; W241-F276 AromaticContact CH2-CZ 3.86Å; W241-F276 HydrophobicContact CH2-CZ 3.86Å; W241-F276 HydrophobicContact CZ2-CE2 4.49Å; W241-F276 HydrophobicContact CZ2-CZ 4.4Å
242	Q	88	Confident	93.6	Very high	120 Å²	120	57.4 Å²	57.4	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.2	-175	-174.1	-174.6	2.2	0	0	113.8	F262 P264	Q242-F262 HydrophobicContact CB-CZ 4.39Å; Q242-P264 HydrophobicContact CG-CB 4.29Å; Q242-P264 VanDerWaalsContact NE2-CB 3.3Å
243	S	90.4	Very high	93.7	Very high	81 Å²	81	58.4 Å²	58.4	57%	0.566	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	1.7	178.8	50.9	0	0	0	0	114.3	L186 W241	L186-S243 WeakPolarHBondContact CD2-OG 3.37Å; W241-S243 PolarHBondContact O-N 2.84Å
244	S	93.3	Very high	93.7	Very high	13 Å²	13	58.4 Å²	58.4	9%	0.091	33%	0.327	C	S	.	.			trans	-78.6	130.1	170.5	-74.6	0	0	0	0	109.8	L186 W241 H246	L186-S244 PolarHBondContact O-OG 2.99Å; W241-S244 WeakPolarHBondContact O-CB 3.3Å; W241-S244 PolarHBondContact O-N 3.22Å; S244-H246 WeakPolarHBondContact CB-NE2 3.48Å; S244-H246 PolarHBondContact O-CD2 3.33Å
245	T	92.9	Very high	93.8	Very high	59 Å²	59	59.2 Å²	59.2	36%	0.362	34%	0.337	S	S	.	.			trans	-87.9	-26	-172.5	43.4	0	0	0	0	113.7	M247 P252	T245-M247 VanDerWaalsContact C-N 3.31Å; T245-M247 PolarHBondContact O-N 2.87Å; T245-P252 WeakPolarHBondContact O-CB 3.45Å
246	H	95.1	Very high	93.8	Very high	23 Å²	23	66.4 Å²	66.4	11%	0.106	37%	0.371	C	S	.	.			trans	56.6	43.8	176.8	-60.4	-54.4	0	0	0	112.5	E192 S244 C248 P253 L283 Y301	E192-H246 VanDerWaalsContact OE1-CA 3.23Å; E192-H246 WeakPolarHBondContact OE1-CA 3.31Å; E192-H246 PolarHBondContact OE1-N 3.26Å; S244-H246 WeakPolarHBondContact CB-NE2 3.48Å; S244-H246 PolarHBondContact O-CD2 3.33Å; H246-C248 PolarHBondContact O-N 3.49Å; H246-P253 HydrophobicContact CB-CG 3.9Å; H246-P253 VanDerWaalsContact O-CD 3.28Å; H246-P253 WeakPolarHBondContact O-CD 3.46Å; H246-L283 WeakPolarHBondContact CE1-CD1 2.92Å; H246-Y301 HydrophobicContact CB-CE1 4.49Å; H246-Y301 HydrophobicContact CB-CE2 3.91Å; H246-Y301 WeakPolarHBondContact CB-OH 3.37Å; H246-Y301 VanDerWaalsContact O-CE2 3.26Å; H246-Y301 WeakPolarHBondContact O-CE2 3.43Å
247	M	95.6	Very high	93.9	Very high	65 Å²	65	65.4 Å²	65.4	32%	0.32	37%	0.366	S	S	.	.			trans	-70.9	122.2	-172.5	-66.6	-62.5	-62.7	0	0	110.9	E192 T245 G250 P252	E192-M247 HydrophobicContact CG-CB 3.97Å; E192-M247 WeakPolarHBondContact CG-O 3.42Å; E192-M247 PolarHBondContact OE1-N 3.01Å; T245-M247 VanDerWaalsContact C-N 3.31Å; T245-M247 PolarHBondContact O-N 2.87Å; M247-G250 VanDerWaalsContact CE-C 3.46Å; M247-G250 WeakPolarHBondContact CE-O 3.35Å; M247-P252 HydrophobicContact SD-CB 4.17Å; M247-P252 HydrophobicContact SD-CG 4.46Å
248	C	96.5	Very high	93.9	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.034	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-145.3	138.7	174.7	-174.3	0	0	0	0	109.5	T191 H246 G250 R251 C300 Y301	T191-C248 HydrophobicContact CG2-CB 4.49Å; H246-C248 PolarHBondContact O-N 3.49Å; C248-G250 PolarHBondContact O-N 3.09Å; C248-G250 VanDerWaalsContact O-N 3.17Å; C248-R251 PolarHBondContact N-O 3.01Å; C248-R251 PolarHBondContact O-N 3.38Å; C248-R251 VanDerWaalsContact O-N 3.15Å; C248-C300 HydrophobicContact CB-CB 3.55Å; C248-C300 WeakPolarHBondContact CB-SG 3.28Å; C248-C300 VanDerWaalsContact SG-CA 3.57Å; C248-C300 WeakPolarHBondContact SG-CB 3.49Å; C248-C300 CovalentContact SG-SG 2.02Å; C248-C300 PolarHBondContact SG-SG 3.27Å; C248-Y301 HydrophobicContact CB-CE2 4.19Å
249	N	93.4	Very high	94	Very high	104 Å²	104	60.7 Å²	60.7	56%	0.556	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	39	-170.8	-69.9	-14.9	0	0	0	113.5	R251 T296 C300	N249-R251 VanDerWaalsContact C-N 3.27Å; N249-R251 PolarHBondContact O-N 3.17Å; N249-T296 WeakPolarHBondContact OD1-CG2 3.13Å; N249-C300 VanDerWaalsContact CG-SG 3.57Å; N249-C300 PolarHBondContact ND2-SG 3.46Å; N249-C300 VanDerWaalsContact ND2-SG 3.44Å
250	G	92.2	Very high	94.1	Very high	73 Å²	73	63.4 Å²	63.4	75%	0.753	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	5.4	176	0	0	0	0	0	115.7	M247 C248	M247-G250 VanDerWaalsContact CE-C 3.46Å; M247-G250 WeakPolarHBondContact CE-O 3.35Å; C248-G250 PolarHBondContact O-N 3.09Å; C248-G250 VanDerWaalsContact O-N 3.17Å
251	R	95.7	Very high	94.3	Very high	103 Å²	103	62.8 Å²	62.8	39%	0.389	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-136.4	157	177.7	66.9	172.4	-173.2	83.8	-4.2	112.9	C248 N249 E257	C248-R251 PolarHBondContact N-O 3.01Å; C248-R251 PolarHBondContact O-N 3.38Å; C248-R251 VanDerWaalsContact O-N 3.15Å; N249-R251 VanDerWaalsContact C-N 3.27Å; N249-R251 PolarHBondContact O-N 3.17Å; R251-E257 IonicContact CZ-OE1 3.68Å; R251-E257 IonicContact CZ-OE2 3.39Å; R251-E257 IonicContact NH1-OE1 3.77Å; R251-E257 IonicContact NH1-OE2 2.72Å; R251-E257 PolarHBondContact NH1-OE2 2.88Å; R251-E257 VanDerWaalsContact NH2-CD 3.32Å; R251-E257 IonicContact NH2-OE1 2.69Å; R251-E257 PolarHBondContact NH2-OE1 3.25Å; R251-E257 IonicContact NH2-OE2 3.15Å; R251-E257 PolarHBondContact NH2-OE2 3.34Å; R251-E257 VanDerWaalsContact NH2-OE2 3.15Å
252	P	96.4	Very high	94.7	Very high	72 Å²	72	62.5 Å²	62.5	47%	0.468	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-71.8	161.7	164.2	32.2	-35.2	0	0	0	110.8	T245 M247	T245-P252 WeakPolarHBondContact O-CB 3.45Å; M247-P252 HydrophobicContact SD-CB 4.17Å; M247-P252 HydrophobicContact SD-CG 4.46Å
253	P	97	Very high	95	Very high	25 Å²	25	62 Å²	62	16%	0.162	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-64.6	151.8	171.5	27.9	-35	0	0	0	111.5	H246 E257 L258 Y301	H246-P253 HydrophobicContact CB-CG 3.9Å; H246-P253 VanDerWaalsContact O-CD 3.28Å; H246-P253 WeakPolarHBondContact O-CD 3.46Å; P253-E257 WeakPolarHBondContact CA-OE2 3.48Å; P253-E257 HydrophobicContact CB-CB 4.11Å; P253-L258 HydrophobicContact CB-CB 3.8Å; P253-L258 HydrophobicContact CG-CB 3.85Å; P253-L258 HydrophobicContact CG-CD2 3.79Å; P253-L258 HydrophobicContact CG-CG 4.49Å; P253-Y301 HydrophobicContact CB-CD2 3.76Å; P253-Y301 HydrophobicContact CB-CG 3.77Å; P253-Y301 HydrophobicContact CG-CD2 4.08Å; P253-Y301 HydrophobicContact CG-CE2 4.39Å; P253-Y301 HydrophobicContact CG-CG 4.28Å
254	T	96.6	Very high	95	Very high	58 Å²	58	60.6 Å²	60.6	36%	0.356	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-74.9	168.1	167	80.4	0	0	0	0	110.7	E256 E257 L258	T254-E256 VanDerWaalsContact CB-OE2 3.28Å; T254-E256 WeakPolarHBondContact CB-OE2 3.3Å; T254-E256 PolarHBondContact O-N 2.74Å; T254-E256 PolarHBondContact OG1-N 3.31Å; T254-E256 PolarHBondContact OG1-OE2 2.92Å; T254-E257 PolarHBondContact N-OE2 3.11Å; T254-E257 PolarHBondContact O-N 3.21Å; T254-E257 PolarHBondContact OG1-N 3.41Å; T254-L258 PolarHBondContact O-N 2.84Å
255	V	94.7	Very high	94.9	Very high	97 Å²	97	64.9 Å²	64.9	59%	0.588	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.5	177.3	177.6	0	0	0	0	111.2	L258 P259	V255-L258 CarbonylContact O-C 3.54Å; V255-L258 VanDerWaalsContact O-C 3.28Å; V255-P259 WeakPolarHBondContact O-CA 3.26Å; V255-P259 WeakPolarHBondContact O-CD 3.35Å; V255-P259 VanDerWaalsContact O-CG 3.31Å; V255-P259 WeakPolarHBondContact O-CG 3.1Å
256	E	96.3	Very high	94.9	Very high	153 Å²	153	67.7 Å²	67.7	72%	0.715	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-36.9	176.1	-58.3	70.7	-153	0	0	111.7	T254	T254-E256 VanDerWaalsContact CB-OE2 3.28Å; T254-E256 WeakPolarHBondContact CB-OE2 3.3Å; T254-E256 PolarHBondContact O-N 2.74Å; T254-E256 PolarHBondContact OG1-N 3.31Å; T254-E256 PolarHBondContact OG1-OE2 2.92Å
257	E	97.1	Very high	94.8	Very high	32 Å²	32	67.6 Å²	67.6	15%	0.15	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-35.3	176.6	-70	177.5	146.2	0	0	112.5	R251 P253 T254	R251-E257 IonicContact CZ-OE1 3.68Å; R251-E257 IonicContact CZ-OE2 3.39Å; R251-E257 IonicContact NH1-OE1 3.77Å; R251-E257 IonicContact NH1-OE2 2.72Å; R251-E257 PolarHBondContact NH1-OE2 2.88Å; R251-E257 VanDerWaalsContact NH2-CD 3.32Å; R251-E257 IonicContact NH2-OE1 2.69Å; R251-E257 PolarHBondContact NH2-OE1 3.25Å; R251-E257 IonicContact NH2-OE2 3.15Å; R251-E257 PolarHBondContact NH2-OE2 3.34Å; R251-E257 VanDerWaalsContact NH2-OE2 3.15Å; P253-E257 WeakPolarHBondContact CA-OE2 3.48Å; P253-E257 HydrophobicContact CB-CB 4.11Å; T254-E257 PolarHBondContact N-OE2 3.11Å; T254-E257 PolarHBondContact O-N 3.21Å; T254-E257 PolarHBondContact OG1-N 3.41Å
258	L	96.2	Very high	94.8	Very high	33 Å²	33	65.7 Å²	65.7	17%	0.173	39%	0.388	C	S	.	.	S	Bend	trans	-137.7	79.8	176.2	-172.3	63.8	0	0	0	111.4	P253 T254 V255 L283 Y301	P253-L258 HydrophobicContact CB-CB 3.8Å; P253-L258 HydrophobicContact CG-CB 3.85Å; P253-L258 HydrophobicContact CG-CD2 3.79Å; P253-L258 HydrophobicContact CG-CG 4.49Å; T254-L258 PolarHBondContact O-N 2.84Å; V255-L258 CarbonylContact O-C 3.54Å; V255-L258 VanDerWaalsContact O-C 3.28Å; L258-L283 HydrophobicContact CD1-CD1 4.32Å; L258-L283 HydrophobicContact CD1-CD2 3.72Å; L258-L283 HydrophobicContact CD1-CG 4.02Å; L258-L283 HydrophobicContact CD2-CD1 4.03Å; L258-Y301 HydrophobicContact CD2-CD1 4.42Å; L258-Y301 HydrophobicContact CD2-CE1 4.34Å
259	P	95.4	Very high	94.8	Very high	58 Å²	58	70.2 Å²	70.2	38%	0.377	42%	0.416	S	S	.	.			trans	-61.7	137.6	177.1	-22.9	32.1	0	0	0	111.5	V255 S281	V255-P259 WeakPolarHBondContact O-CA 3.26Å; V255-P259 WeakPolarHBondContact O-CD 3.35Å; V255-P259 VanDerWaalsContact O-CG 3.31Å; V255-P259 WeakPolarHBondContact O-CG 3.1Å; P259-S281 WeakPolarHBondContact O-CB 3.34Å; P259-S281 PolarHBondContact O-OG 3.4Å
260	P	94.8	Very high	94.9	Very high	81 Å²	81	67.7 Å²	67.7	53%	0.526	41%	0.414	S	S	.	.			trans	-70.1	139.1	179.1	29.7	-35.1	0	0	0	111.3	F262	P260-F262 VanDerWaalsContact C-N 3.25Å; P260-F262 PolarHBondContact O-N 3.15Å
261	C	96	Very high	95.1	Very high	30 Å²	30	64.5 Å²	64.5	20%	0.203	38%	0.38	C	S	.	.	S	Bend	trans	-78.3	-8.5	175.1	-65	0	0	0	0	114.3	W268 C279	C261-W268 HydrophobicContact CB-CD2 4.47Å; C261-W268 HydrophobicContact CB-CE3 4.07Å; C261-W268 HydrophobicContact CB-CH2 3.27Å; C261-W268 HydrophobicContact CB-CZ2 3.69Å; C261-W268 HydrophobicContact CB-CZ3 3.47Å; C261-W268 VanDerWaalsContact CB-CZ3 3.47Å; C261-C279 WeakPolarHBondContact CA-SG 3.46Å; C261-C279 HydrophobicContact CB-CB 3.67Å; C261-C279 WeakPolarHBondContact CB-SG 3.49Å; C261-C279 WeakPolarHBondContact SG-CB 3.43Å; C261-C279 CovalentContact SG-SG 2.03Å; C261-C279 PolarHBondContact SG-SG 3.49Å
262	F	95	Very high	95.2	Very high	27 Å²	27	62.7 Å²	62.7	12%	0.118	38%	0.381	C	S	.	.	S	Bend	trans	-152	154.5	-177	61.9	-87	0	0	0	109.5	T240 Q242 P260 P264 W268	T240-F262 VanDerWaalsContact CB-CZ 3.49Å; T240-F262 HydrophobicContact CG2-CD2 4.45Å; T240-F262 HydrophobicContact CG2-CE1 4.4Å; T240-F262 HydrophobicContact CG2-CE2 3.78Å; T240-F262 HydrophobicContact CG2-CZ 3.78Å; Q242-F262 HydrophobicContact CB-CZ 4.39Å; P260-F262 VanDerWaalsContact C-N 3.25Å; P260-F262 PolarHBondContact O-N 3.15Å; F262-P264 VanDerWaalsContact O-CD 3.31Å; F262-P264 WeakPolarHBondContact O-CD 3.44Å; F262-W268 HydrophobicContact CB-CB 3.66Å; F262-W268 HydrophobicContact CB-CD2 3.93Å; F262-W268 HydrophobicContact CB-CG 3.54Å; F262-W268 HydrophobicContact CD1-CB 3.88Å; F262-W268 AromaticContact CD1-CD2 3.84Å; F262-W268 HydrophobicContact CD1-CD2 3.84Å; F262-W268 AromaticContact CD1-CE3 3.56Å; F262-W268 HydrophobicContact CD1-CE3 3.56Å; F262-W268 HydrophobicContact CD1-CG 4.02Å; F262-W268 HydrophobicContact CD1-CZ3 4.38Å; F262-W268 HydrophobicContact CD2-CB 4.28Å; F262-W268 HydrophobicContact CE1-CE3 4.25Å; F262-W268 HydrophobicContact CG-CB 3.67Å; F262-W268 HydrophobicContact CG-CD2 4.23Å; F262-W268 HydrophobicContact CG-CE3 4.38Å; F262-W268 AromaticContact CG-CG 3.96Å; F262-W268 HydrophobicContact CG-CG 3.96Å
263	E	93.7	Very high	95.2	Very high	111 Å²	111	59.9 Å²	59.9	52%	0.519	36%	0.362	S	S	.	.			trans	-71.4	117.1	174.8	173.9	49	-125.5	0	0	109.6	S265 V266 G267	E263-S265 VanDerWaalsContact CG-OG 3.27Å; E263-S265 WeakPolarHBondContact CG-OG 3.45Å; E263-S265 PolarHBondContact O-N 2.79Å; E263-S265 VanDerWaalsContact O-N 3.14Å; E263-S265 PolarHBondContact OE1-N 3.18Å; E263-S265 PolarHBondContact OE1-OG 3.4Å; E263-V266 HydrophobicContact CB-CB 4.23Å; E263-V266 HydrophobicContact CB-CG2 4.22Å; E263-V266 HydrophobicContact CG-CB 4.27Å; E263-V266 HydrophobicContact CG-CG2 3.83Å; E263-V266 PolarHBondContact O-N 3.27Å; E263-G267 PolarHBondContact O-N 3.47Å
264	P	91	Very high	95.2	Very high	51 Å²	51	63.1 Å²	63.1	33%	0.331	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.9	-172.6	-24.5	33.7	0	0	0	114.8	Q242 F262 V266	Q242-P264 HydrophobicContact CG-CB 4.29Å; Q242-P264 VanDerWaalsContact NE2-CB 3.3Å; F262-P264 VanDerWaalsContact O-CD 3.31Å; F262-P264 WeakPolarHBondContact O-CD 3.44Å; P264-V266 VanDerWaalsContact C-N 3.33Å
265	S	92.1	Very high	95.2	Very high	102 Å²	102	64.9 Å²	64.9	71%	0.713	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.4	176	58	0	0	0	0	113.8	E263	E263-S265 VanDerWaalsContact CG-OG 3.27Å; E263-S265 WeakPolarHBondContact CG-OG 3.45Å; E263-S265 PolarHBondContact O-N 2.79Å; E263-S265 VanDerWaalsContact O-N 3.14Å; E263-S265 PolarHBondContact OE1-N 3.18Å; E263-S265 PolarHBondContact OE1-OG 3.4Å
266	V	92.2	Very high	95.4	Very high	119 Å²	119	60.2 Å²	60.2	72%	0.721	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-35.2	-179.6	178.8	0	0	0	0	111.3	E263 P264	E263-V266 HydrophobicContact CB-CB 4.23Å; E263-V266 HydrophobicContact CB-CG2 4.22Å; E263-V266 HydrophobicContact CG-CB 4.27Å; E263-V266 HydrophobicContact CG-CG2 3.83Å; E263-V266 PolarHBondContact O-N 3.27Å; P264-V266 VanDerWaalsContact C-N 3.33Å
267	G	93	Very high	95.5	Very high	20 Å²	20	54.2 Å²	54.2	21%	0.206	33%	0.329	C	S	.	.			trans	81.5	-169.1	-171.4	0	0	0	0	0	112.6	E263	E263-G267 PolarHBondContact O-N 3.47Å
268	W	95.2	Very high	95.5	Very high	25 Å²	25	55.4 Å²	55.4	10%	0.095	35%	0.35	C	S	.	.			trans	-126.3	24.9	-177.2	-145.6	9.3	0	0	0	113.3	V235 W241 C261 F262 G270 V271 F276 C279	V235-W268 HydrophobicContact CG1-CB 3.91Å; V235-W268 HydrophobicContact CG1-CD2 3.9Å; V235-W268 HydrophobicContact CG1-CE3 3.5Å; V235-W268 HydrophobicContact CG1-CG 4.1Å; V235-W268 HydrophobicContact CG1-CZ3 4.27Å; W241-W268 HydrophobicContact CH2-CZ3 4.2Å; W241-W268 HydrophobicContact CZ3-CE3 4.41Å; W241-W268 AromaticContact CZ3-CZ3 3.89Å; W241-W268 HydrophobicContact CZ3-CZ3 3.89Å; C261-W268 HydrophobicContact CB-CD2 4.47Å; C261-W268 HydrophobicContact CB-CE3 4.07Å; C261-W268 HydrophobicContact CB-CH2 3.27Å; C261-W268 HydrophobicContact CB-CZ2 3.69Å; C261-W268 HydrophobicContact CB-CZ3 3.47Å; C261-W268 VanDerWaalsContact CB-CZ3 3.47Å; F262-W268 HydrophobicContact CB-CB 3.66Å; F262-W268 HydrophobicContact CB-CD2 3.93Å; F262-W268 HydrophobicContact CB-CG 3.54Å; F262-W268 HydrophobicContact CD1-CB 3.88Å; F262-W268 AromaticContact CD1-CD2 3.84Å; F262-W268 HydrophobicContact CD1-CD2 3.84Å; F262-W268 AromaticContact CD1-CE3 3.56Å; F262-W268 HydrophobicContact CD1-CE3 3.56Å; F262-W268 HydrophobicContact CD1-CG 4.02Å; F262-W268 HydrophobicContact CD1-CZ3 4.38Å; F262-W268 HydrophobicContact CD2-CB 4.28Å; F262-W268 HydrophobicContact CE1-CE3 4.25Å; F262-W268 HydrophobicContact CG-CB 3.67Å; F262-W268 HydrophobicContact CG-CD2 4.23Å; F262-W268 HydrophobicContact CG-CE3 4.38Å; F262-W268 AromaticContact CG-CG 3.96Å; F262-W268 HydrophobicContact CG-CG 3.96Å; W268-G270 PolarHBondContact O-N 2.93Å; W268-V271 HydrophobicContact CD2-CB 4.26Å; W268-V271 HydrophobicContact CD2-CG1 4.41Å; W268-V271 HydrophobicContact CD2-CG2 4.11Å; W268-V271 HydrophobicContact CG-CB 3.97Å; W268-V271 HydrophobicContact CG-CG1 4.32Å; W268-V271 HydrophobicContact CG-CG2 4.24Å; W268-V271 HydrophobicContact CZ2-CG2 3.76Å; W268-V271 WeakPolarHBondContact O-CB 3.31Å; W268-V271 WeakPolarHBondContact O-CG1 3.46Å; W268-V271 PolarHBondContact O-N 3.14Å; W268-F276 HydrophobicContact CE3-CD2 4.25Å; W268-F276 HydrophobicContact CE3-CE2 4.31Å; W268-F276 AromaticContact CH2-CD2 3.4Å; W268-F276 HydrophobicContact CH2-CD2 3.4Å; W268-F276 AromaticContact CH2-CE2 3.87Å; W268-F276 HydrophobicContact CH2-CE2 3.87Å; W268-F276 HydrophobicContact CH2-CG 4.25Å; W268-F276 AromaticContact CZ2-CD2 3.97Å; W268-F276 HydrophobicContact CZ2-CD2 3.97Å; W268-F276 AromaticContact CZ3-CD2 3.58Å; W268-F276 HydrophobicContact CZ3-CD2 3.58Å; W268-F276 AromaticContact CZ3-CE2 3.61Å; W268-F276 HydrophobicContact CZ3-CE2 3.61Å; W268-C279 HydrophobicContact CH2-CB 4.26Å; W268-C279 HydrophobicContact CZ2-CB 4.45Å
269	T	96.4	Very high	95.5	Very high	100 Å²	100	54.7 Å²	54.7	61%	0.613	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	136.2	177.4	-54	0	0	0	0	110.3	G238 V271	G238-T269 WeakPolarHBondContact CA-OG1 3.5Å; T269-V271 VanDerWaalsContact C-N 3.26Å; T269-V271 PolarHBondContact O-N 3.12Å
270	G	95.9	Very high	95.5	Very high	51 Å²	51	61.4 Å²	61.4	53%	0.526	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	8.4	178	0	0	0	0	0	115.2	Q236 W268 T272	Q236-G270 PolarHBondContact O-N 3.38Å; W268-G270 PolarHBondContact O-N 2.93Å; G270-T272 PolarHBondContact O-N 2.95Å
271	V	97	Very high	95.5	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.036	36%	0.355	C	S	.	.			trans	-49.3	137.5	175.4	63.7	0	0	0	0	112.2	F232 V235 Q236 W268 T269 D275 F276	F232-V271 HydrophobicContact CD2-CG1 4.35Å; F232-V271 HydrophobicContact CE2-CG1 4.06Å; F232-V271 WeakPolarHBondContact CE2-O 3.3Å; V235-V271 HydrophobicContact CG1-CG1 3.94Å; Q236-V271 HydrophobicContact CB-CG1 4.27Å; Q236-V271 PolarHBondContact NE2-O 2.91Å; W268-V271 HydrophobicContact CD2-CB 4.26Å; W268-V271 HydrophobicContact CD2-CG1 4.41Å; W268-V271 HydrophobicContact CD2-CG2 4.11Å; W268-V271 HydrophobicContact CG-CB 3.97Å; W268-V271 HydrophobicContact CG-CG1 4.32Å; W268-V271 HydrophobicContact CG-CG2 4.24Å; W268-V271 HydrophobicContact CZ2-CG2 3.76Å; W268-V271 WeakPolarHBondContact O-CB 3.31Å; W268-V271 WeakPolarHBondContact O-CG1 3.46Å; W268-V271 PolarHBondContact O-N 3.14Å; T269-V271 VanDerWaalsContact C-N 3.26Å; T269-V271 PolarHBondContact O-N 3.12Å; V271-D275 HydrophobicContact CG2-CB 3.7Å; V271-F276 HydrophobicContact CG1-CD2 4.37Å; V271-F276 HydrophobicContact CG2-CB 4.08Å
272	T	96.7	Very high	95.6	Very high	65 Å²	65	57.6 Å²	57.6	40%	0.399	35%	0.346	S	S	.	.			trans	-80.3	159.8	174.3	71.1	0	0	0	0	110.9	G270 D274 D275 F276	G270-T272 PolarHBondContact O-N 2.95Å; T272-D274 PolarHBondContact O-N 3.49Å; T272-D275 PolarHBondContact O-N 3.42Å; T272-D275 WeakPolarHBondContact OG1-CB 3.46Å; T272-D275 PolarHBondContact OG1-N 3.03Å; T272-D275 PolarHBondContact OG1-OD2 2.8Å; T272-F276 WeakPolarHBondContact O-CB 3.5Å; T272-F276 PolarHBondContact O-N 3.33Å
273	L	96.2	Very high	95.7	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.073	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-37.4	175	-179.7	63.7	0	0	0	111.1	F228 F232 F276 I277 F366 E370 I374	F228-L273 HydrophobicContact CE1-CD1 4.26Å; F232-L273 HydrophobicContact CD1-CD1 4.3Å; F232-L273 HydrophobicContact CE1-CB 4.35Å; F232-L273 HydrophobicContact CE1-CD1 4.39Å; F232-L273 HydrophobicContact CE2-CB 4.44Å; F232-L273 HydrophobicContact CG-CD1 4.39Å; F232-L273 HydrophobicContact CZ-CB 4.02Å; L273-F276 PolarHBondContact O-N 3.28Å; L273-I277 HydrophobicContact CD1-CD1 3.83Å; L273-I277 HydrophobicContact CD1-CG1 4.15Å; L273-I277 HydrophobicContact CD2-CD1 4.44Å; L273-I277 HydrophobicContact CG-CD1 3.88Å; L273-I277 HydrophobicContact CG-CG1 4.48Å; L273-I277 WeakPolarHBondContact O-CB 3.41Å; L273-I277 WeakPolarHBondContact O-CG1 3.24Å; L273-I277 PolarHBondContact O-N 3.08Å; L273-F366 HydrophobicContact CD1-CE1 4.33Å; L273-F366 HydrophobicContact CD2-CD1 4.01Å; L273-F366 HydrophobicContact CD2-CE1 3.98Å; L273-E370 HydrophobicContact CD2-CB 3.83Å; L273-E370 HydrophobicContact CD2-CG 3.73Å; L273-I374 HydrophobicContact CD1-CD1 4.1Å; L273-I374 HydrophobicContact CD1-CG1 4.23Å; L273-I374 HydrophobicContact CD2-CD1 4.33Å
274	D	97.5	Very high	95.9	Very high	93 Å²	93	52 Å²	52	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-45.8	178.4	-71	-26.1	0	0	0	112.1	T272 F276 I277 G278 R373	T272-D274 PolarHBondContact O-N 3.49Å; D274-F276 VanDerWaalsContact C-N 3.35Å; D274-I277 PolarHBondContact O-N 2.84Å; D274-G278 WeakPolarHBondContact O-CA 3.41Å; D274-G278 PolarHBondContact O-N 3.44Å; D274-R373 IonicContact OD1-CZ 3.65Å; D274-R373 IonicContact OD1-NH1 3.92Å; D274-R373 PolarHBondContact OD1-NH1 3.17Å; D274-R373 IonicContact OD1-NH2 3.56Å; D274-R373 PolarHBondContact OD1-NH2 3.49Å
275	D	97.4	Very high	96.2	Very high	94 Å²	94	51.1 Å²	51.1	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-38.1	176.6	-62.9	-40.9	0	0	0	111.7	V271 T272 G278 C279	V271-D275 HydrophobicContact CG2-CB 3.7Å; T272-D275 PolarHBondContact O-N 3.42Å; T272-D275 WeakPolarHBondContact OG1-CB 3.46Å; T272-D275 PolarHBondContact OG1-N 3.03Å; T272-D275 PolarHBondContact OG1-OD2 2.8Å; D275-G278 PolarHBondContact O-N 3.37Å; D275-C279 PolarHBondContact O-N 2.72Å
276	F	97.8	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-41.7	178.7	-166.6	-104.5	0	0	0	111.7	F228 F232 V235 W241 W268 V271 T272 L273 D274 N282 A284	F228-F276 HydrophobicContact CD1-CE1 4.38Å; F228-F276 HydrophobicContact CD2-CE1 4.42Å; F228-F276 AromaticContact CE1-CD1 3.61Å; F228-F276 HydrophobicContact CE1-CD1 3.61Å; F228-F276 AromaticContact CE1-CE1 3.71Å; F228-F276 HydrophobicContact CE1-CE1 3.71Å; F228-F276 HydrophobicContact CE2-CD1 4.22Å; F228-F276 AromaticContact CE2-CE1 3.74Å; F228-F276 HydrophobicContact CE2-CE1 3.74Å; F228-F276 AromaticContact CZ-CD1 3.38Å; F228-F276 HydrophobicContact CZ-CD1 3.38Å; F228-F276 AromaticContact CZ-CE1 3.35Å; F228-F276 HydrophobicContact CZ-CE1 3.35Å; F232-F276 HydrophobicContact CB-CD1 3.91Å; F232-F276 HydrophobicContact CB-CE1 3.84Å; F232-F276 HydrophobicContact CB-CG 4.45Å; F232-F276 HydrophobicContact CB-CZ 4.31Å; F232-F276 HydrophobicContact CD2-CB 3.72Å; F232-F276 AromaticContact CD2-CD1 3.87Å; F232-F276 HydrophobicContact CD2-CD1 3.87Å; F232-F276 HydrophobicContact CD2-CD2 4.09Å; F232-F276 AromaticContact CD2-CG 3.63Å; F232-F276 HydrophobicContact CD2-CG 3.63Å; F232-F276 HydrophobicContact CE2-CB 4.03Å; F232-F276 HydrophobicContact CE2-CG 4.41Å; F232-F276 HydrophobicContact CG-CD1 4.27Å; F232-F276 HydrophobicContact CG-CG 4.46Å; V235-F276 HydrophobicContact CB-CE2 4.1Å; V235-F276 HydrophobicContact CG1-CD2 4.45Å; V235-F276 HydrophobicContact CG1-CE2 4.14Å; V235-F276 HydrophobicContact CG2-CE2 4.01Å; W241-F276 AromaticContact CH2-CE2 3.73Å; W241-F276 HydrophobicContact CH2-CE2 3.73Å; W241-F276 AromaticContact CH2-CZ 3.86Å; W241-F276 HydrophobicContact CH2-CZ 3.86Å; W241-F276 HydrophobicContact CZ2-CE2 4.49Å; W241-F276 HydrophobicContact CZ2-CZ 4.4Å; W268-F276 HydrophobicContact CE3-CD2 4.25Å; W268-F276 HydrophobicContact CE3-CE2 4.31Å; W268-F276 AromaticContact CH2-CD2 3.4Å; W268-F276 HydrophobicContact CH2-CD2 3.4Å; W268-F276 AromaticContact CH2-CE2 3.87Å; W268-F276 HydrophobicContact CH2-CE2 3.87Å; W268-F276 HydrophobicContact CH2-CG 4.25Å; W268-F276 AromaticContact CZ2-CD2 3.97Å; W268-F276 HydrophobicContact CZ2-CD2 3.97Å; W268-F276 AromaticContact CZ3-CD2 3.58Å; W268-F276 HydrophobicContact CZ3-CD2 3.58Å; W268-F276 AromaticContact CZ3-CE2 3.61Å; W268-F276 HydrophobicContact CZ3-CE2 3.61Å; V271-F276 HydrophobicContact CG1-CD2 4.37Å; V271-F276 HydrophobicContact CG2-CB 4.08Å; T272-F276 WeakPolarHBondContact O-CB 3.5Å; T272-F276 PolarHBondContact O-N 3.33Å; L273-F276 PolarHBondContact O-N 3.28Å; D274-F276 VanDerWaalsContact C-N 3.35Å; F276-N282 WeakPolarHBondContact CD1-ND2 3.37Å; F276-N282 WeakPolarHBondContact CE1-ND2 3.48Å; F276-N282 WeakPolarHBondContact CE2-ND2 3.01Å; F276-N282 VanDerWaalsContact CZ-ND2 3.35Å; F276-N282 WeakPolarHBondContact CZ-ND2 3.12Å; F276-N282 PolarHBondContact O-ND2 3.1Å; F276-A284 HydrophobicContact CE1-CB 3.77Å; F276-A284 HydrophobicContact CZ-CB 3.69Å
277	I	97.8	Very high	96.8	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.138	25%	0.252	C	S	.	.	H	α-helix	trans	-75	-30.5	173.6	-69.3	176.1	0	0	0	111.6	F228 L273 D274 C279 F285 R373 I374 V377	F228-I277 HydrophobicContact CE1-CG1 4.21Å; F228-I277 HydrophobicContact CZ-CG1 4.09Å; L273-I277 HydrophobicContact CD1-CD1 3.83Å; L273-I277 HydrophobicContact CD1-CG1 4.15Å; L273-I277 HydrophobicContact CD2-CD1 4.44Å; L273-I277 HydrophobicContact CG-CD1 3.88Å; L273-I277 HydrophobicContact CG-CG1 4.48Å; L273-I277 WeakPolarHBondContact O-CB 3.41Å; L273-I277 WeakPolarHBondContact O-CG1 3.24Å; L273-I277 PolarHBondContact O-N 3.08Å; D274-I277 PolarHBondContact O-N 2.84Å; I277-C279 VanDerWaalsContact C-N 3.29Å; I277-C279 PolarHBondContact O-N 2.92Å; I277-F285 WeakPolarHBondContact O-CZ 3.37Å; I277-R373 HydrophobicContact CD1-CB 4.32Å; I277-I374 HydrophobicContact CD1-CG1 4.16Å; I277-V377 HydrophobicContact CG2-CG1 4.07Å
278	G	97.5	Very high	97.1	Very high	56 Å²	56	41.3 Å²	41.3	58%	0.577	24%	0.243	S	C	*	.	H	α-helix	trans	-69.6	-23.3	-176.9	0	0	0	0	0	114.1	D274 D275 K280	D274-G278 WeakPolarHBondContact O-CA 3.41Å; D274-G278 PolarHBondContact O-N 3.44Å; D275-G278 PolarHBondContact O-N 3.37Å; G278-K280 PolarHBondContact O-N 2.98Å
279	C	97.1	Very high	97.3	Very high	19 Å²	19	40.1 Å²	40.1	13%	0.128	24%	0.238	C	C	.	.			trans	-75.2	105.7	174.9	-178.4	0	0	0	0	111.7	C261 W268 D275 I277 S281 N282 F285	C261-C279 WeakPolarHBondContact CA-SG 3.46Å; C261-C279 HydrophobicContact CB-CB 3.67Å; C261-C279 WeakPolarHBondContact CB-SG 3.49Å; C261-C279 WeakPolarHBondContact SG-CB 3.43Å; C261-C279 CovalentContact SG-SG 2.03Å; C261-C279 PolarHBondContact SG-SG 3.49Å; W268-C279 HydrophobicContact CH2-CB 4.26Å; W268-C279 HydrophobicContact CZ2-CB 4.45Å; D275-C279 PolarHBondContact O-N 2.72Å; I277-C279 VanDerWaalsContact C-N 3.29Å; I277-C279 PolarHBondContact O-N 2.92Å; C279-S281 VanDerWaalsContact C-N 3.29Å; C279-S281 PolarHBondContact O-N 3.26Å; C279-S281 PolarHBondContact SG-OG 2.95Å; C279-N282 HydrophobicContact CB-CB 4.15Å; C279-N282 WeakPolarHBondContact O-CB 3.41Å; C279-N282 PolarHBondContact O-N 3.08Å; C279-F285 VanDerWaalsContact O-CE2 3.23Å; C279-F285 WeakPolarHBondContact O-CE2 3.37Å; C279-F285 VanDerWaalsContact O-CZ 3.32Å; C279-F285 WeakPolarHBondContact O-CZ 3.42Å
280	K	95.4	Very high	97.4	Very high	198 Å²	198	35.8 Å²	35.8	86%	0.861	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.4	-179	-68.3	-178.6	176.2	179.7	0	114.2	G278 N282	G278-K280 PolarHBondContact O-N 2.98Å; K280-N282 PolarHBondContact O-N 2.82Å
281	S	95.6	Very high	97.5	Very high	28 Å²	28	33.5 Å²	33.5	20%	0.196	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	8.8	178.1	54.7	0	0	0	0	113.4	P259 C279 L283	P259-S281 WeakPolarHBondContact O-CB 3.34Å; P259-S281 PolarHBondContact O-OG 3.4Å; C279-S281 VanDerWaalsContact C-N 3.29Å; C279-S281 PolarHBondContact O-N 3.26Å; C279-S281 PolarHBondContact SG-OG 2.95Å; S281-L283 PolarHBondContact O-N 2.94Å
282	N	97.2	Very high	97.6	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.184	C	C	.	.			trans	-66.8	108	-178.3	-170.2	-9.8	0	0	0	111.5	F276 C279 K280 A284 F285	F276-N282 WeakPolarHBondContact CD1-ND2 3.37Å; F276-N282 WeakPolarHBondContact CE1-ND2 3.48Å; F276-N282 WeakPolarHBondContact CE2-ND2 3.01Å; F276-N282 VanDerWaalsContact CZ-ND2 3.35Å; F276-N282 WeakPolarHBondContact CZ-ND2 3.12Å; F276-N282 PolarHBondContact O-ND2 3.1Å; C279-N282 HydrophobicContact CB-CB 4.15Å; C279-N282 WeakPolarHBondContact O-CB 3.41Å; C279-N282 PolarHBondContact O-N 3.08Å; K280-N282 PolarHBondContact O-N 2.82Å; N282-A284 PolarHBondContact O-N 2.7Å; N282-A284 WeakPolarHBondContact OD1-CB 3.22Å; N282-A284 PolarHBondContact OD1-N 3.22Å; N282-F285 HydrophobicContact CB-CD2 4.35Å; N282-F285 HydrophobicContact CB-CE1 4.13Å; N282-F285 HydrophobicContact CB-CE2 3.87Å; N282-F285 HydrophobicContact CB-CZ 3.72Å; N282-F285 VanDerWaalsContact O-CD2 3.29Å; N282-F285 WeakPolarHBondContact O-CD2 3.21Å; N282-F285 WeakPolarHBondContact O-CG 3.4Å; N282-F285 PolarHBondContact O-N 3.35Å
283	L	97.1	Very high	97.7	Very high	20 Å²	20	30.1 Å²	30.1	11%	0.105	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-4.2	177.5	-67.5	-168.9	0	0	0	114.7	H246 L258 S281 R290	H246-L283 WeakPolarHBondContact CE1-CD1 2.92Å; L258-L283 HydrophobicContact CD1-CD1 4.32Å; L258-L283 HydrophobicContact CD1-CD2 3.72Å; L258-L283 HydrophobicContact CD1-CG 4.02Å; L258-L283 HydrophobicContact CD2-CD1 4.03Å; S281-L283 PolarHBondContact O-N 2.94Å; L283-R290 VanDerWaalsContact CA-NH1 3.32Å; L283-R290 VanDerWaalsContact CB-NH1 3.34Å; L283-R290 PolarHBondContact O-NH1 3.4Å; L283-R290 PolarHBondContact O-NH2 2.96Å
284	A	97.6	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.3	173.1	0	0	0	0	0	113.9	R227 F228 F276 N282 N378	R227-A284 VanDerWaalsContact CZ-O 3.26Å; R227-A284 PolarHBondContact NH1-O 3.46Å; R227-A284 PolarHBondContact NH2-O 3.37Å; F228-A284 HydrophobicContact CD2-CB 3.9Å; F228-A284 WeakPolarHBondContact CD2-O 3.35Å; F228-A284 HydrophobicContact CE2-CB 3.63Å; F276-A284 HydrophobicContact CE1-CB 3.77Å; F276-A284 HydrophobicContact CZ-CB 3.69Å; N282-A284 PolarHBondContact O-N 2.7Å; N282-A284 WeakPolarHBondContact OD1-CB 3.22Å; N282-A284 PolarHBondContact OD1-N 3.22Å; A284-N378 PolarHBondContact O-OD1 3.42Å; A284-N378 VanDerWaalsContact O-OD1 3.12Å
285	F	98.1	Very high	97.7	Very high	34 Å²	34	25.9 Å²	25.9	15%	0.149	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-36.9	-176.1	-63.4	-26.7	0	0	0	114.3	F228 I277 C279 N282 V377 N378	F228-F285 AromaticContact CE2-CD1 3.71Å; F228-F285 HydrophobicContact CE2-CD1 3.71Å; F228-F285 HydrophobicContact CE2-CE1 4.02Å; F228-F285 HydrophobicContact CZ-CD1 4.22Å; F228-F285 HydrophobicContact CZ-CE1 4.07Å; I277-F285 WeakPolarHBondContact O-CZ 3.37Å; C279-F285 VanDerWaalsContact O-CE2 3.23Å; C279-F285 WeakPolarHBondContact O-CE2 3.37Å; C279-F285 VanDerWaalsContact O-CZ 3.32Å; C279-F285 WeakPolarHBondContact O-CZ 3.42Å; N282-F285 HydrophobicContact CB-CD2 4.35Å; N282-F285 HydrophobicContact CB-CE1 4.13Å; N282-F285 HydrophobicContact CB-CE2 3.87Å; N282-F285 HydrophobicContact CB-CZ 3.72Å; N282-F285 VanDerWaalsContact O-CD2 3.29Å; N282-F285 WeakPolarHBondContact O-CD2 3.21Å; N282-F285 WeakPolarHBondContact O-CG 3.4Å; N282-F285 PolarHBondContact O-N 3.35Å; F285-V377 WeakPolarHBondContact CB-O 3.35Å; F285-V377 HydrophobicContact CD1-CB 3.69Å; F285-V377 HydrophobicContact CD1-CG2 3.59Å; F285-V377 HydrophobicContact CE1-CB 3.98Å; F285-V377 HydrophobicContact CE1-CG1 4.45Å; F285-V377 HydrophobicContact CE1-CG2 3.82Å; F285-V377 HydrophobicContact CG-CB 4.24Å; F285-N378 VanDerWaalsContact O-CA 3.31Å; F285-N378 WeakPolarHBondContact O-CA 3.12Å; F285-N378 PolarHBondContact O-OD1 2.95Å; F285-N378 VanDerWaalsContact O-OD1 3.08Å
286	N	97.9	Very high	97.6	Very high	33 Å²	33	22.1 Å²	22.1	18%	0.176	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	42.6	179	64.7	-13.2	0	0	0	110	Q288 T289 R290 L380 D381	N286-Q288 VanDerWaalsContact C-N 3.32Å; N286-Q288 PolarHBondContact O-N 3.06Å; N286-T289 PolarHBondContact O-N 3.5Å; N286-R290 VanDerWaalsContact O-CB 3.27Å; N286-R290 WeakPolarHBondContact O-CB 3.34Å; N286-R290 PolarHBondContact O-N 3.49Å; N286-R290 PolarHBondContact OD1-NH1 2.89Å; N286-L380 HydrophobicContact CB-CB 4.12Å; N286-L380 HydrophobicContact CB-CD1 3.99Å; N286-D381 WeakPolarHBondContact CA-OD1 2.99Å
287	R	98.6	Very high	97.5	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-55.7	-46.8	-172	174.5	60.4	71.5	-173.3	-8.8	111.4	I126 Q127 E231 M291 D381	I126-R287 HydrophobicContact CG2-CG 4.14Å; Q127-R287 HydrophobicContact CB-CG 4.48Å; Q127-R287 VanDerWaalsContact NE2-NH1 3.15Å; Q127-R287 VanDerWaalsContact OE1-CD 3.23Å; E231-R287 IonicContact OE1-CZ 3.16Å; E231-R287 IonicContact OE1-NE 2.68Å; E231-R287 PolarHBondContact OE1-NE 2.9Å; E231-R287 IonicContact OE1-NH2 2.69Å; E231-R287 PolarHBondContact OE1-NH2 3.4Å; E231-R287 IonicContact OE2-NE 3.23Å; E231-R287 PolarHBondContact OE2-NE 3.07Å; R287-M291 WeakPolarHBondContact O-CB 3.3Å; R287-M291 WeakPolarHBondContact O-CG 3.46Å; R287-M291 PolarHBondContact O-N 2.95Å; R287-D381 PolarHBondContact N-OD1 2.74Å; R287-D381 PolarHBondContact N-OD2 3.35Å; R287-D381 VanDerWaalsContact N-OD2 3.1Å
288	Q	98.7	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-73.7	-46.3	-178.2	-61.1	-176.5	96.5	0	0	110.8	I126 T129 R222 N286 R290 M291 L292 D381	I126-Q288 HydrophobicContact CG2-CG 4.11Å; T129-Q288 HydrophobicContact CG2-CG 4.28Å; R222-Q288 PolarHBondContact O-NE2 3.33Å; R222-Q288 PolarHBondContact O-OE1 3.29Å; N286-Q288 VanDerWaalsContact C-N 3.32Å; N286-Q288 PolarHBondContact O-N 3.06Å; Q288-R290 PolarHBondContact O-N 3.38Å; Q288-M291 PolarHBondContact O-N 3.36Å; Q288-L292 WeakPolarHBondContact O-CB 3.4Å; Q288-L292 WeakPolarHBondContact O-CD1 3.37Å; Q288-L292 VanDerWaalsContact O-CG 3.24Å; Q288-L292 WeakPolarHBondContact O-CG 3.18Å; Q288-L292 PolarHBondContact O-N 2.89Å; Q288-L292 VanDerWaalsContact O-N 3.08Å; Q288-D381 VanDerWaalsContact N-CG 3.3Å; Q288-D381 PolarHBondContact N-OD1 3.27Å; Q288-D381 PolarHBondContact N-OD2 3.38Å
289	T	98.9	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.1	-50.6	179.5	-59.3	0	0	0	0	111.6	N286 M291 L292 A293 L315 V316 A319 L380 D381 V384	N286-T289 PolarHBondContact O-N 3.5Å; T289-M291 VanDerWaalsContact C-N 3.33Å; T289-M291 PolarHBondContact O-N 3.36Å; T289-L292 PolarHBondContact O-N 2.98Å; T289-A293 VanDerWaalsContact O-CB 3.28Å; T289-A293 WeakPolarHBondContact O-CB 3.12Å; T289-A293 PolarHBondContact O-N 2.87Å; T289-L315 HydrophobicContact CG2-CB 4.04Å; T289-V316 HydrophobicContact CG2-CG2 4.05Å; T289-A319 HydrophobicContact CG2-CB 4.11Å; T289-L380 HydrophobicContact CG2-CB 4.33Å; T289-L380 VanDerWaalsContact OG1-C 3.31Å; T289-L380 PolarHBondContact OG1-O 3.47Å; T289-L380 VanDerWaalsContact OG1-O 3.05Å; T289-D381 PolarHBondContact N-OD1 3.45Å; T289-D381 PolarHBondContact OG1-OD1 2.93Å; T289-V384 HydrophobicContact CG2-CG2 4.06Å; T289-V384 VanDerWaalsContact OG1-CG2 3.24Å; T289-V384 WeakPolarHBondContact OG1-CG2 3.45Å
290	R	98.5	Very high	97.4	Very high	9 Å²	9	21.5 Å²	21.5	3%	0.034	10%	0.104	C	C	.	.	H	α-helix	trans	-62.8	-39.7	178.7	-172.5	-168.5	59.5	-97.6	-7.6	111.8	L283 N286 Q288 L292 L295	L283-R290 VanDerWaalsContact CA-NH1 3.32Å; L283-R290 VanDerWaalsContact CB-NH1 3.34Å; L283-R290 PolarHBondContact O-NH1 3.4Å; L283-R290 PolarHBondContact O-NH2 2.96Å; N286-R290 VanDerWaalsContact O-CB 3.27Å; N286-R290 WeakPolarHBondContact O-CB 3.34Å; N286-R290 PolarHBondContact O-N 3.49Å; N286-R290 PolarHBondContact OD1-NH1 2.89Å; Q288-R290 PolarHBondContact O-N 3.38Å; R290-L292 PolarHBondContact O-N 3.28Å; R290-L295 HydrophobicContact CB-CD2 4.5Å; R290-L295 HydrophobicContact CG-CD1 3.88Å; R290-L295 HydrophobicContact CG-CD2 3.61Å; R290-L295 HydrophobicContact CG-CG 4.36Å
291	M	98.6	Very high	97.5	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	7%	0.065	C	C	.	.	H	α-helix	trans	-68.9	-23.1	-179.2	-71.3	-72.4	-62.4	0	0	113.1	L124 H125 I126 H187 D189 W190 R287 Q288 T289	L124-M291 HydrophobicContact CD2-CB 4.45Å; L124-M291 HydrophobicContact CD2-CE 4.23Å; H125-M291 WeakPolarHBondContact O-CE 3.01Å; I126-M291 HydrophobicContact CD1-CB 4.19Å; I126-M291 HydrophobicContact CG1-CB 3.89Å; I126-M291 HydrophobicContact CG1-CG 4.5Å; I126-M291 HydrophobicContact CG2-CB 4.25Å; I126-M291 HydrophobicContact CG2-CG 4.16Å; H187-M291 HydrophobicContact CB-CE 4.17Å; H187-M291 WeakPolarHBondContact O-CE 3.4Å; D189-M291 HydrophobicContact CB-CB 4.37Å; D189-M291 HydrophobicContact CB-CE 4.28Å; D189-M291 WeakPolarHBondContact CB-O 3.16Å; D189-M291 HydrophobicContact CB-SD 3.83Å; W190-M291 PolarHBondContact N-O 2.59Å; R287-M291 WeakPolarHBondContact O-CB 3.3Å; R287-M291 WeakPolarHBondContact O-CG 3.46Å; R287-M291 PolarHBondContact O-N 2.95Å; Q288-M291 PolarHBondContact O-N 3.36Å; T289-M291 VanDerWaalsContact C-N 3.33Å; T289-M291 PolarHBondContact O-N 3.36Å
292	L	98.8	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-98.2	-28	-178.9	-69.1	167.5	0	0	0	113.4	I126 W190 T219 L221 Q288 T289 R290 A319 N322 L323 M326 V384	I126-L292 HydrophobicContact CD1-CD1 4.24Å; I126-L292 HydrophobicContact CD1-CD2 3.99Å; I126-L292 HydrophobicContact CD1-CG 3.9Å; W190-L292 WeakPolarHBondContact CB-O 3.48Å; T219-L292 HydrophobicContact CG2-CD2 4.16Å; L221-L292 HydrophobicContact CD2-CD1 3.89Å; Q288-L292 WeakPolarHBondContact O-CB 3.4Å; Q288-L292 WeakPolarHBondContact O-CD1 3.37Å; Q288-L292 VanDerWaalsContact O-CG 3.24Å; Q288-L292 WeakPolarHBondContact O-CG 3.18Å; Q288-L292 PolarHBondContact O-N 2.89Å; Q288-L292 VanDerWaalsContact O-N 3.08Å; T289-L292 PolarHBondContact O-N 2.98Å; R290-L292 PolarHBondContact O-N 3.28Å; L292-A319 HydrophobicContact CB-CB 3.8Å; L292-N322 WeakPolarHBondContact O-CB 3.42Å; L292-N322 PolarHBondContact O-ND2 3.31Å; L292-L323 HydrophobicContact CD1-CD1 4.09Å; L292-L323 HydrophobicContact CD1-CD2 3.96Å; L292-L323 HydrophobicContact CD1-CG 4Å; L292-L323 HydrophobicContact CD2-CD2 4.04Å; L292-L323 HydrophobicContact CD2-CG 4.43Å; L292-M326 HydrophobicContact CD2-CE 3.49Å; L292-M326 VanDerWaalsContact CD2-CE 3.49Å; L292-M326 HydrophobicContact CD2-SD 4.35Å; L292-V384 HydrophobicContact CD1-CG1 4Å
293	A	98.4	Very high	97.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-73.1	150.5	-178.8	0	0	0	0	0	112.2	T191 T289 L295 L315 A319	T191-A293 PolarHBondContact OG1-O 2.88Å; T289-A293 VanDerWaalsContact O-CB 3.28Å; T289-A293 WeakPolarHBondContact O-CB 3.12Å; T289-A293 PolarHBondContact O-N 2.87Å; A293-L295 HydrophobicContact CB-CD2 4.25Å; A293-L295 PolarHBondContact O-N 3.29Å; A293-L315 HydrophobicContact CB-CD2 3.69Å; A293-A319 HydrophobicContact CB-CB 4.34Å
294	D	97.2	Very high	97.3	Very high	16 Å²	16	24.3 Å²	24.3	9%	0.086	13%	0.131	C	C	.	.			trans	-73.3	111.6	155.1	-176	-9.5	0	0	0	108.7	V195 T296 T297 S318 N322	V195-D294 HydrophobicContact CG2-CB 4.14Å; D294-T296 VanDerWaalsContact C-N 3.28Å; D294-T296 VanDerWaalsContact CG-OG1 3.25Å; D294-T296 VanDerWaalsContact OD1-CB 3.28Å; D294-T296 WeakPolarHBondContact OD1-CB 3.43Å; D294-T296 WeakPolarHBondContact OD1-CG2 3.23Å; D294-T296 PolarHBondContact OD1-N 3.3Å; D294-T296 PolarHBondContact OD1-OG1 3.32Å; D294-T296 PolarHBondContact OD2-OG1 3.31Å; D294-T297 HydrophobicContact CB-CG2 4.1Å; D294-T297 PolarHBondContact O-OG1 2.8Å; D294-S318 PolarHBondContact N-OG 2.98Å; D294-N322 PolarHBondContact N-ND2 3.48Å
295	L	97.5	Very high	97.1	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	-78.4	-16.2	-178.9	-56.7	-177.5	0	0	0	111.8	T191 R290 A293 T297 V298 C300 Y301 L315	T191-L295 HydrophobicContact CG2-CB 4.5Å; T191-L295 PolarHBondContact OG1-N 2.83Å; R290-L295 HydrophobicContact CB-CD2 4.5Å; R290-L295 HydrophobicContact CG-CD1 3.88Å; R290-L295 HydrophobicContact CG-CD2 3.61Å; R290-L295 HydrophobicContact CG-CG 4.36Å; A293-L295 HydrophobicContact CB-CD2 4.25Å; A293-L295 PolarHBondContact O-N 3.29Å; L295-T297 PolarHBondContact O-N 3.22Å; L295-V298 CarbonylContact O-C 3.57Å; L295-V298 WeakPolarHBondContact O-CG2 3.42Å; L295-V298 PolarHBondContact O-N 3.34Å; L295-V298 VanDerWaalsContact O-N 3.14Å; L295-C300 VanDerWaalsContact O-CA 3.28Å; L295-C300 WeakPolarHBondContact O-CA 3.31Å; L295-C300 PolarHBondContact O-N 2.99Å; L295-Y301 HydrophobicContact CD1-CE2 4.37Å; L295-L315 HydrophobicContact CD2-CD2 3.61Å
296	T	96.1	Very high	97	Very high	16 Å²	16	25.9 Å²	25.9	10%	0.098	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65.9	-28.8	177.5	71.7	0	0	0	0	111.4	T191 V195 N249 D294 V298 H299	T191-T296 HydrophobicContact CG2-CG2 3.75Å; V195-T296 HydrophobicContact CG1-CG2 4.06Å; N249-T296 WeakPolarHBondContact OD1-CG2 3.13Å; D294-T296 VanDerWaalsContact C-N 3.28Å; D294-T296 VanDerWaalsContact CG-OG1 3.25Å; D294-T296 VanDerWaalsContact OD1-CB 3.28Å; D294-T296 WeakPolarHBondContact OD1-CB 3.43Å; D294-T296 WeakPolarHBondContact OD1-CG2 3.23Å; D294-T296 PolarHBondContact OD1-N 3.3Å; D294-T296 PolarHBondContact OD1-OG1 3.32Å; D294-T296 PolarHBondContact OD2-OG1 3.31Å; T296-V298 PolarHBondContact O-N 2.75Å; T296-H299 PolarHBondContact O-N 2.81Å
297	T	95.7	Very high	96.9	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.037	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-72.6	-5.3	176.1	74.7	0	0	0	0	113.8	L81 D294 L295 V314	L81-T297 HydrophobicContact CD2-CG2 4.39Å; D294-T297 HydrophobicContact CB-CG2 4.1Å; D294-T297 PolarHBondContact O-OG1 2.8Å; L295-T297 PolarHBondContact O-N 3.22Å; T297-V314 WeakPolarHBondContact OG1-CG1 3.46Å
298	V	96.4	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-127.6	30.6	174.1	-63.4	0	0	0	0	111.1	L295 T296 C300 M306 R311 V314 L315	L295-V298 CarbonylContact O-C 3.57Å; L295-V298 WeakPolarHBondContact O-CG2 3.42Å; L295-V298 PolarHBondContact O-N 3.34Å; L295-V298 VanDerWaalsContact O-N 3.14Å; T296-V298 PolarHBondContact O-N 2.75Å; V298-C300 PolarHBondContact O-N 2.9Å; V298-C300 VanDerWaalsContact O-N 3.15Å; V298-M306 HydrophobicContact CB-SD 3.79Å; V298-M306 HydrophobicContact CG1-SD 3.89Å; V298-R311 HydrophobicContact CB-CG 4.16Å; V298-R311 HydrophobicContact CG1-CG 4.27Å; V298-R311 PolarHBondContact O-NH1 3.05Å; V298-V314 HydrophobicContact CG1-CB 3.69Å; V298-V314 HydrophobicContact CG1-CG1 3.45Å; V298-V314 VanDerWaalsContact CG1-CG1 3.45Å; V298-L315 HydrophobicContact CG1-CD2 4.39Å; V298-L315 HydrophobicContact CG1-CG 4.04Å; V298-L315 HydrophobicContact CG2-CD2 3.7Å; V298-L315 HydrophobicContact CG2-CG 4.02Å
299	H	96.3	Very high	96.7	Very high	76 Å²	76	36.1 Å²	36.1	35%	0.352	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	36.1	179.3	-44.2	-70.6	0	0	0	113.4	T296 Y301 N302 A305	T296-H299 PolarHBondContact O-N 2.81Å; H299-Y301 PolarHBondContact O-N 3.3Å; H299-Y301 VanDerWaalsContact O-N 3.17Å; H299-N302 HydrophobicContact CB-CB 4.48Å; H299-N302 PolarHBondContact O-N 2.82Å; H299-N302 VanDerWaalsContact O-N 3.1Å; H299-A305 HydrophobicContact CB-CB 3.62Å; H299-A305 WeakPolarHBondContact CD2-CB 3.3Å; H299-A305 VanDerWaalsContact CG-CB 3.5Å
300	C	96.6	Very high	96.5	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.047	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-114.7	178.6	-59	0	0	0	0	112.3	C248 N249 L295 V298 R311	C248-C300 HydrophobicContact CB-CB 3.55Å; C248-C300 WeakPolarHBondContact CB-SG 3.28Å; C248-C300 VanDerWaalsContact SG-CA 3.57Å; C248-C300 WeakPolarHBondContact SG-CB 3.49Å; C248-C300 CovalentContact SG-SG 2.02Å; C248-C300 PolarHBondContact SG-SG 3.27Å; N249-C300 VanDerWaalsContact CG-SG 3.57Å; N249-C300 PolarHBondContact ND2-SG 3.46Å; N249-C300 VanDerWaalsContact ND2-SG 3.44Å; L295-C300 VanDerWaalsContact O-CA 3.28Å; L295-C300 WeakPolarHBondContact O-CA 3.31Å; L295-C300 PolarHBondContact O-N 2.99Å; V298-C300 PolarHBondContact O-N 2.9Å; V298-C300 VanDerWaalsContact O-N 3.15Å; C300-R311 PolarHBondContact O-NH2 3.43Å
301	Y	96.8	Very high	96.5	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.047	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	3.3	-177.6	-62.1	-86.7	0	0	0	112.7	H246 C248 P253 L258 L295 H299 E303	H246-Y301 HydrophobicContact CB-CE1 4.49Å; H246-Y301 HydrophobicContact CB-CE2 3.91Å; H246-Y301 WeakPolarHBondContact CB-OH 3.37Å; H246-Y301 VanDerWaalsContact O-CE2 3.26Å; H246-Y301 WeakPolarHBondContact O-CE2 3.43Å; C248-Y301 HydrophobicContact CB-CE2 4.19Å; P253-Y301 HydrophobicContact CB-CD2 3.76Å; P253-Y301 HydrophobicContact CB-CG 3.77Å; P253-Y301 HydrophobicContact CG-CD2 4.08Å; P253-Y301 HydrophobicContact CG-CE2 4.39Å; P253-Y301 HydrophobicContact CG-CG 4.28Å; L258-Y301 HydrophobicContact CD2-CD1 4.42Å; L258-Y301 HydrophobicContact CD2-CE1 4.34Å; L295-Y301 HydrophobicContact CD1-CE2 4.37Å; H299-Y301 PolarHBondContact O-N 3.3Å; H299-Y301 VanDerWaalsContact O-N 3.17Å; Y301-E303 PolarHBondContact O-N 2.97Å
302	N	96.5	Very high	96.4	Very high	64 Å²	64	40.7 Å²	40.7	34%	0.342	23%	0.229	S	C	.	.			trans	-80.3	86.1	174.5	-175	1	0	0	0	110.3	H299 S304 A305	H299-N302 HydrophobicContact CB-CB 4.48Å; H299-N302 PolarHBondContact O-N 2.82Å; H299-N302 VanDerWaalsContact O-N 3.1Å; N302-S304 PolarHBondContact O-N 2.74Å; N302-S304 PolarHBondContact OD1-N 3.48Å; N302-A305 HydrophobicContact CB-CB 4.31Å; N302-A305 WeakPolarHBondContact O-CB 3.45Å; N302-A305 PolarHBondContact O-N 2.85Å; N302-A305 PolarHBondContact OD1-N 3.19Å
303	E	94.2	Very high	96.3	Very high	117 Å²	117	42.4 Å²	42.4	55%	0.547	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-65.5	-21.2	-179.7	-57.3	-161.2	150.9	0	0	113.5	Y301 A305 M306	Y301-E303 PolarHBondContact O-N 2.97Å; E303-A305 VanDerWaalsContact C-N 3.28Å; E303-A305 PolarHBondContact O-N 3.27Å; E303-M306 VanDerWaalsContact O-O 3.11Å
304	S	95.1	Very high	96.3	Very high	115 Å²	115	42.4 Å²	42.4	80%	0.804	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-77.6	-12.1	178.7	-57.1	0	0	0	0	113.5	N302 M306	N302-S304 PolarHBondContact O-N 2.74Å; N302-S304 PolarHBondContact OD1-N 3.48Å; S304-M306 VanDerWaalsContact C-N 3.28Å; S304-M306 PolarHBondContact O-N 3.21Å
305	A	95	Very high	96.4	Very high	46 Å²	46	41.9 Å²	41.9	38%	0.38	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-73	-19.5	-176.5	0	0	0	0	0	113.5	H299 N302 E303	H299-A305 HydrophobicContact CB-CB 3.62Å; H299-A305 WeakPolarHBondContact CD2-CB 3.3Å; H299-A305 VanDerWaalsContact CG-CB 3.5Å; N302-A305 HydrophobicContact CB-CB 4.31Å; N302-A305 WeakPolarHBondContact O-CB 3.45Å; N302-A305 PolarHBondContact O-N 2.85Å; N302-A305 PolarHBondContact OD1-N 3.19Å; E303-A305 VanDerWaalsContact C-N 3.28Å; E303-A305 PolarHBondContact O-N 3.27Å
306	M	95.4	Very high	96.4	Very high	21 Å²	21	42 Å²	42	10%	0.103	24%	0.237	C	C	.	.	S	Bend	trans	-152.5	161.3	179.7	74.8	-167.3	-39.7	0	0	111.5	E80 V298 E303 S304 L310 R311 V314	E80-M306 HydrophobicContact CB-CE 4.43Å; E80-M306 HydrophobicContact CG-CE 3.8Å; V298-M306 HydrophobicContact CB-SD 3.79Å; V298-M306 HydrophobicContact CG1-SD 3.89Å; E303-M306 VanDerWaalsContact O-O 3.11Å; S304-M306 VanDerWaalsContact C-N 3.28Å; S304-M306 PolarHBondContact O-N 3.21Å; M306-L310 HydrophobicContact CE-CD2 3.93Å; M306-L310 HydrophobicContact CE-CG 3.96Å; M306-R311 HydrophobicContact CG-CB 3.75Å; M306-R311 HydrophobicContact CG-CG 4.4Å; M306-R311 HydrophobicContact SD-CB 3.79Å; M306-R311 HydrophobicContact SD-CG 4.14Å; M306-V314 HydrophobicContact CE-CG2 4.34Å
307	A	96.5	Very high	96.5	Very high	66 Å²	66	43 Å²	43	55%	0.545	24%	0.239	S	C	.	.			trans	-60.5	142.1	177.9	0	0	0	0	0	111.7	D309 L310 R311	A307-D309 PolarHBondContact O-N 3.35Å; A307-L310 HydrophobicContact CB-CB 4.26Å; A307-L310 PolarHBondContact O-N 3.42Å; A307-R311 WeakPolarHBondContact O-CB 3.42Å; A307-R311 PolarHBondContact O-N 3.3Å
308	N	95.7	Very high	96.6	Very high	88 Å²	88	43 Å²	43	47%	0.471	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-41.7	-175	-169.8	-98.6	0	0	0	112.6	L310 R311 R312	N308-L310 PolarHBondContact O-N 3.43Å; N308-R311 WeakPolarHBondContact O-CB 3.42Å; N308-R311 PolarHBondContact O-N 3.44Å; N308-R312 WeakPolarHBondContact O-CB 3.42Å; N308-R312 WeakPolarHBondContact O-CG 3.44Å; N308-R312 PolarHBondContact O-N 2.9Å; N308-R312 WeakPolarHBondContact OD1-CD 3.42Å
309	D	96	Very high	96.7	Very high	94 Å²	94	43 Å²	43	50%	0.503	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-40.9	179.1	-64.5	-37.1	0	0	0	112	A307 R312 T313	A307-D309 PolarHBondContact O-N 3.35Å; D309-R312 PolarHBondContact O-N 3.03Å; D309-T313 WeakPolarHBondContact O-CB 3.48Å; D309-T313 PolarHBondContact O-N 3.24Å; D309-T313 PolarHBondContact O-OG1 3.11Å
310	L	96.1	Very high	96.8	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-49.5	173.5	-176.6	63.1	0	0	0	110.8	E76 A77 E80 M306 A307 N308 R312 T313 V314	E76-L310 HydrophobicContact CB-CD1 3.69Å; A77-L310 HydrophobicContact CB-CD1 3.8Å; E80-L310 HydrophobicContact CG-CD2 4.1Å; M306-L310 HydrophobicContact CE-CD2 3.93Å; M306-L310 HydrophobicContact CE-CG 3.96Å; A307-L310 HydrophobicContact CB-CB 4.26Å; A307-L310 PolarHBondContact O-N 3.42Å; N308-L310 PolarHBondContact O-N 3.43Å; L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 3.35Å; L310-T313 WeakPolarHBondContact O-CB 3.32Å; L310-T313 PolarHBondContact O-N 3.48Å; L310-T313 VanDerWaalsContact O-N 3.12Å; L310-V314 HydrophobicContact CD1-CG2 4.3Å; L310-V314 HydrophobicContact CG-CG2 4.39Å; L310-V314 WeakPolarHBondContact O-CG2 3.44Å; L310-V314 PolarHBondContact O-N 2.99Å
311	R	97	Very high	96.9	Very high	17 Å²	17	46.7 Å²	46.7	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-51.9	-48.7	176	179.9	-179.3	-179.7	73.5	5.7	112.1	V298 C300 M306 A307 N308 T313 V314 L315	V298-R311 HydrophobicContact CB-CG 4.16Å; V298-R311 HydrophobicContact CG1-CG 4.27Å; V298-R311 PolarHBondContact O-NH1 3.05Å; C300-R311 PolarHBondContact O-NH2 3.43Å; M306-R311 HydrophobicContact CG-CB 3.75Å; M306-R311 HydrophobicContact CG-CG 4.4Å; M306-R311 HydrophobicContact SD-CB 3.79Å; M306-R311 HydrophobicContact SD-CG 4.14Å; A307-R311 WeakPolarHBondContact O-CB 3.42Å; A307-R311 PolarHBondContact O-N 3.3Å; N308-R311 WeakPolarHBondContact O-CB 3.42Å; N308-R311 PolarHBondContact O-N 3.44Å; R311-T313 VanDerWaalsContact C-N 3.35Å; R311-V314 PolarHBondContact O-N 3.2Å; R311-L315 HydrophobicContact CG-CD1 4.23Å; R311-L315 WeakPolarHBondContact O-CB 3.24Å; R311-L315 WeakPolarHBondContact O-CG 3.17Å; R311-L315 PolarHBondContact O-N 3.3Å
312	R	97.6	Very high	97	Very high	75 Å²	75	46.3 Å²	46.3	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-45.9	179.4	-73.3	172.3	68.9	85.4	-4.4	111	N308 D309 L310 L315 V316 L380	N308-R312 WeakPolarHBondContact O-CB 3.42Å; N308-R312 WeakPolarHBondContact O-CG 3.44Å; N308-R312 PolarHBondContact O-N 2.9Å; N308-R312 WeakPolarHBondContact OD1-CD 3.42Å; D309-R312 PolarHBondContact O-N 3.03Å; L310-R312 VanDerWaalsContact C-N 3.32Å; L310-R312 PolarHBondContact O-N 3.35Å; R312-L315 PolarHBondContact O-N 3.37Å; R312-V316 WeakPolarHBondContact O-CG2 3.29Å; R312-V316 PolarHBondContact O-N 3.34Å; R312-L380 HydrophobicContact CB-CD1 4.3Å; R312-L380 HydrophobicContact CB-CD2 3.98Å; R312-L380 HydrophobicContact CG-CD1 4.11Å; R312-L380 HydrophobicContact CG-CD2 4.29Å
313	T	97.3	Very high	97.1	Very high	36 Å²	36	43.2 Å²	43.2	22%	0.221	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-48.3	178.8	-56.7	0	0	0	0	111.5	A77 D309 L310 R311 L315 V316 R317	A77-T313 HydrophobicContact CB-CG2 3.74Å; D309-T313 WeakPolarHBondContact O-CB 3.48Å; D309-T313 PolarHBondContact O-N 3.24Å; D309-T313 PolarHBondContact O-OG1 3.11Å; L310-T313 WeakPolarHBondContact O-CB 3.32Å; L310-T313 PolarHBondContact O-N 3.48Å; L310-T313 VanDerWaalsContact O-N 3.12Å; R311-T313 VanDerWaalsContact C-N 3.35Å; T313-L315 PolarHBondContact O-N 3.48Å; T313-V316 PolarHBondContact O-N 3.5Å; T313-R317 PolarHBondContact O-N 3.46Å
314	V	97.6	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.1	-45.9	176.9	176	0	0	0	0	111.2	A77 E80 L81 T297 V298 M306 L310 R311 V316 R317 S318	A77-V314 HydrophobicContact CB-CG2 3.49Å; A77-V314 VanDerWaalsContact CB-CG2 3.49Å; E80-V314 HydrophobicContact CB-CG2 3.73Å; E80-V314 HydrophobicContact CG-CG2 4.33Å; L81-V314 HydrophobicContact CD2-CG1 3.87Å; L81-V314 HydrophobicContact CG-CG1 4.14Å; T297-V314 WeakPolarHBondContact OG1-CG1 3.46Å; V298-V314 HydrophobicContact CG1-CB 3.69Å; V298-V314 HydrophobicContact CG1-CG1 3.45Å; V298-V314 VanDerWaalsContact CG1-CG1 3.45Å; M306-V314 HydrophobicContact CE-CG2 4.34Å; L310-V314 HydrophobicContact CD1-CG2 4.3Å; L310-V314 HydrophobicContact CG-CG2 4.39Å; L310-V314 WeakPolarHBondContact O-CG2 3.44Å; L310-V314 PolarHBondContact O-N 2.99Å; R311-V314 PolarHBondContact O-N 3.2Å; V314-V316 PolarHBondContact O-N 2.95Å; V314-R317 PolarHBondContact O-N 2.75Å; V314-S318 WeakPolarHBondContact O-CB 3.5Å; V314-S318 PolarHBondContact O-N 3.18Å
315	L	98.2	Very high	97.4	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-47.5	177.7	-83.5	173.2	0	0	0	112.2	T289 A293 L295 V298 R311 R312 T313 S318 A319	T289-L315 HydrophobicContact CG2-CB 4.04Å; A293-L315 HydrophobicContact CB-CD2 3.69Å; L295-L315 HydrophobicContact CD2-CD2 3.61Å; V298-L315 HydrophobicContact CG1-CD2 4.39Å; V298-L315 HydrophobicContact CG1-CG 4.04Å; V298-L315 HydrophobicContact CG2-CD2 3.7Å; V298-L315 HydrophobicContact CG2-CG 4.02Å; R311-L315 HydrophobicContact CG-CD1 4.23Å; R311-L315 WeakPolarHBondContact O-CB 3.24Å; R311-L315 WeakPolarHBondContact O-CG 3.17Å; R311-L315 PolarHBondContact O-N 3.3Å; R312-L315 PolarHBondContact O-N 3.37Å; T313-L315 PolarHBondContact O-N 3.48Å; L315-S318 PolarHBondContact O-N 2.86Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.4Å
316	V	98.6	Very high	97.5	Very high	4 Å²	4	36 Å²	36	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-45.4	-179.8	170.5	0	0	0	0	111.2	T289 R312 T313 V314 S318 A319 K320 L380 E383 V384	T289-V316 HydrophobicContact CG2-CG2 4.05Å; R312-V316 WeakPolarHBondContact O-CG2 3.29Å; R312-V316 PolarHBondContact O-N 3.34Å; T313-V316 PolarHBondContact O-N 3.5Å; V314-V316 PolarHBondContact O-N 2.95Å; V316-S318 PolarHBondContact O-N 3.18Å; V316-A319 PolarHBondContact O-N 3.43Å; V316-K320 HydrophobicContact CG1-CD 3.9Å; V316-K320 HydrophobicContact CG1-CG 4.32Å; V316-K320 WeakPolarHBondContact O-CB 3.44Å; V316-K320 VanDerWaalsContact O-CG 3.29Å; V316-K320 WeakPolarHBondContact O-CG 3.09Å; V316-K320 PolarHBondContact O-N 2.87Å; V316-L380 HydrophobicContact CG2-CB 4.02Å; V316-L380 HydrophobicContact CG2-CD2 3.74Å; V316-L380 HydrophobicContact CG2-CG 4.32Å; V316-E383 HydrophobicContact CG1-CG 4.21Å; V316-E383 VanDerWaalsContact CG1-OE1 3.24Å; V316-E383 WeakPolarHBondContact CG1-OE1 3.44Å; V316-V384 HydrophobicContact CB-CG2 4.35Å; V316-V384 HydrophobicContact CG1-CG2 3.88Å; V316-V384 HydrophobicContact CG2-CG2 4.24Å
317	R	97.8	Very high	97.6	Very high	39 Å²	39	35 Å²	35	15%	0.147	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-43.2	177.1	-73.4	-163.4	-178.4	109	14.9	112	E74 L81 T313 V314 A319 K320 R321	E74-R317 VanDerWaalsContact CA-NH2 3.34Å; E74-R317 VanDerWaalsContact CB-NH2 3.32Å; E74-R317 VanDerWaalsContact CD-NH2 3.28Å; E74-R317 PolarHBondContact O-NH1 3.14Å; E74-R317 VanDerWaalsContact O-NH1 3.1Å; E74-R317 IonicContact OE1-CZ 3.91Å; E74-R317 IonicContact OE1-NH2 2.76Å; E74-R317 PolarHBondContact OE1-NH2 2.9Å; L81-R317 HydrophobicContact CD1-CB 3.69Å; T313-R317 PolarHBondContact O-N 3.46Å; V314-R317 PolarHBondContact O-N 2.75Å; R317-A319 PolarHBondContact O-N 2.8Å; R317-K320 PolarHBondContact O-N 2.83Å; R317-R321 WeakPolarHBondContact O-CB 3.42Å; R317-R321 VanDerWaalsContact O-CG 3.31Å; R317-R321 WeakPolarHBondContact O-CG 3.4Å; R317-R321 PolarHBondContact O-N 3.26Å
318	S	98	Very high	97.7	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.035	15%	0.148	C	C	.	.	H	α-helix	trans	-57.6	-48.8	175	-173.3	0	0	0	0	111.3	D294 V314 L315 V316 K320 R321 N322	D294-S318 PolarHBondContact N-OG 2.98Å; V314-S318 WeakPolarHBondContact O-CB 3.5Å; V314-S318 PolarHBondContact O-N 3.18Å; L315-S318 PolarHBondContact O-N 2.86Å; V316-S318 PolarHBondContact O-N 3.18Å; S318-K320 PolarHBondContact O-N 3.04Å; S318-R321 PolarHBondContact O-N 3Å; S318-N322 WeakPolarHBondContact O-CB 3.18Å; S318-N322 PolarHBondContact O-N 3.07Å; S318-N322 PolarHBondContact O-ND2 3.33Å
319	A	98.8	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-45.3	176.6	0	0	0	0	0	112.9	T289 L292 A293 L315 V316 R317 N322 L323 V384	T289-A319 HydrophobicContact CG2-CB 4.11Å; L292-A319 HydrophobicContact CB-CB 3.8Å; A293-A319 HydrophobicContact CB-CB 4.34Å; L315-A319 WeakPolarHBondContact O-CB 3.31Å; L315-A319 PolarHBondContact O-N 3.4Å; V316-A319 PolarHBondContact O-N 3.43Å; R317-A319 PolarHBondContact O-N 2.8Å; A319-N322 PolarHBondContact O-N 3.05Å; A319-L323 WeakPolarHBondContact O-CG 3.28Å; A319-L323 PolarHBondContact O-N 3.48Å; A319-V384 HydrophobicContact CB-CG1 4.26Å; A319-V384 HydrophobicContact CB-CG2 3.96Å
320	K	98.7	Very high	98	Very high	47 Å²	47	23.4 Å²	23.4	20%	0.204	10%	0.102	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176.3	-71	175.4	173	173.3	0	111.5	V316 R317 S318 N322 L323 M324 E383 F387	V316-K320 HydrophobicContact CG1-CD 3.9Å; V316-K320 HydrophobicContact CG1-CG 4.32Å; V316-K320 WeakPolarHBondContact O-CB 3.44Å; V316-K320 VanDerWaalsContact O-CG 3.29Å; V316-K320 WeakPolarHBondContact O-CG 3.09Å; V316-K320 PolarHBondContact O-N 2.87Å; R317-K320 PolarHBondContact O-N 2.83Å; S318-K320 PolarHBondContact O-N 3.04Å; K320-N322 PolarHBondContact O-N 3.42Å; K320-L323 PolarHBondContact O-N 2.92Å; K320-M324 WeakPolarHBondContact O-CG 3.37Å; K320-M324 PolarHBondContact O-N 3.1Å; K320-E383 IonicContact NZ-OE1 2.87Å; K320-E383 PolarHBondContact NZ-OE1 2.98Å; K320-F387 HydrophobicContact CB-CD1 3.9Å; K320-F387 HydrophobicContact CB-CE1 3.72Å; K320-F387 HydrophobicContact CB-CG 4.42Å; K320-F387 HydrophobicContact CB-CZ 4.1Å; K320-F387 HydrophobicContact CD-CB 4.32Å; K320-F387 HydrophobicContact CD-CD1 4.33Å; K320-F387 HydrophobicContact CD-CD2 4.23Å; K320-F387 HydrophobicContact CD-CG 4.03Å; K320-F387 HydrophobicContact CG-CB 4.23Å; K320-F387 HydrophobicContact CG-CD1 3.58Å; K320-F387 HydrophobicContact CG-CD2 4.35Å; K320-F387 HydrophobicContact CG-CE1 3.96Å; K320-F387 HydrophobicContact CG-CG 3.78Å; K320-F387 HydrophobicContact CG-CZ 4.49Å
321	R	98	Very high	98	Very high	113 Å²	113	22.6 Å²	22.6	43%	0.426	10%	0.098	S	C	.	.	H	α-helix	trans	-61	-43.8	176.2	-74.4	173.9	68.7	162.5	-4.6	111.6	E78 R317 S318 M324 K325	E78-R321 IonicContact OE2-NH1 3.69Å; R317-R321 WeakPolarHBondContact O-CB 3.42Å; R317-R321 VanDerWaalsContact O-CG 3.31Å; R317-R321 WeakPolarHBondContact O-CG 3.4Å; R317-R321 PolarHBondContact O-N 3.26Å; S318-R321 PolarHBondContact O-N 3Å; R321-M324 PolarHBondContact O-N 2.97Å; R321-K325 WeakPolarHBondContact O-CG 3.41Å; R321-K325 PolarHBondContact O-N 3.08Å; R321-K325 VanDerWaalsContact O-N 3.14Å
322	N	98.5	Very high	97.9	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-70.1	-35.2	-179.9	-69.1	-17.3	0	0	0	112.5	W190 L292 D294 S318 A319 K320 M324 K325 M326	W190-N322 HydrophobicContact CD2-CB 3.89Å; W190-N322 HydrophobicContact CE3-CB 3.91Å; W190-N322 HydrophobicContact CH2-CB 4.1Å; W190-N322 HydrophobicContact CZ2-CB 4.08Å; W190-N322 HydrophobicContact CZ3-CB 4.01Å; W190-N322 PolarHBondContact NE1-ND2 2.89Å; L292-N322 WeakPolarHBondContact O-CB 3.42Å; L292-N322 PolarHBondContact O-ND2 3.31Å; D294-N322 PolarHBondContact N-ND2 3.48Å; S318-N322 WeakPolarHBondContact O-CB 3.18Å; S318-N322 PolarHBondContact O-N 3.07Å; S318-N322 PolarHBondContact O-ND2 3.33Å; A319-N322 PolarHBondContact O-N 3.05Å; K320-N322 PolarHBondContact O-N 3.42Å; N322-M324 VanDerWaalsContact C-N 3.29Å; N322-M324 PolarHBondContact O-N 2.69Å; N322-K325 WeakPolarHBondContact O-CB 3.39Å; N322-K325 PolarHBondContact O-N 3.12Å; N322-K325 VanDerWaalsContact O-N 3.12Å; N322-K325 PolarHBondContact OD1-NZ 2.86Å; N322-M326 WeakPolarHBondContact O-CG 3.5Å; N322-M326 PolarHBondContact O-N 2.93Å
323	L	98.7	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.9	-41.4	170.3	-79.6	169.7	0	0	0	112.3	L221 L292 A319 K320 K325 M326 F329 V384 F387 A388	L221-L323 HydrophobicContact CD1-CD2 3.94Å; L221-L323 HydrophobicContact CD2-CD2 4.38Å; L292-L323 HydrophobicContact CD1-CD1 4.09Å; L292-L323 HydrophobicContact CD1-CD2 3.96Å; L292-L323 HydrophobicContact CD1-CG 4Å; L292-L323 HydrophobicContact CD2-CD2 4.04Å; L292-L323 HydrophobicContact CD2-CG 4.43Å; A319-L323 WeakPolarHBondContact O-CG 3.28Å; A319-L323 PolarHBondContact O-N 3.48Å; K320-L323 PolarHBondContact O-N 2.92Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 2.74Å; L323-M326 HydrophobicContact CD2-SD 4.29Å; L323-M326 PolarHBondContact O-N 3.26Å; L323-F329 HydrophobicContact CB-CE1 4.25Å; L323-F329 HydrophobicContact CD2-CD1 3.82Å; L323-F329 HydrophobicContact CD2-CE1 4.06Å; L323-F329 HydrophobicContact CD2-CG 4.07Å; L323-F329 HydrophobicContact CD2-CZ 4.5Å; L323-V384 HydrophobicContact CD1-CG1 3.8Å; L323-F387 HydrophobicContact CB-CE1 4.42Å; L323-F387 HydrophobicContact CD1-CD1 4.21Å; L323-A388 HydrophobicContact CD1-CB 3.9Å
324	M	98.1	Very high	97.6	Very high	67 Å²	67	22.2 Å²	22.2	33%	0.33	10%	0.098	S	C	.	.	H	α-helix	trans	-65	-35.8	175.8	-67.2	-56.1	-60.5	0	0	112	K320 R321 N322 M326 F387 V391 R395	K320-M324 WeakPolarHBondContact O-CG 3.37Å; K320-M324 PolarHBondContact O-N 3.1Å; R321-M324 PolarHBondContact O-N 2.97Å; N322-M324 VanDerWaalsContact C-N 3.29Å; N322-M324 PolarHBondContact O-N 2.69Å; M324-M326 VanDerWaalsContact C-N 3.25Å; M324-M326 PolarHBondContact O-N 3.38Å; M324-F387 HydrophobicContact CG-CE1 4.25Å; M324-F387 HydrophobicContact CG-CZ 3.88Å; M324-F387 HydrophobicContact SD-CE1 4.28Å; M324-F387 HydrophobicContact SD-CZ 3.86Å; M324-V391 HydrophobicContact SD-CB 4.38Å; M324-V391 HydrophobicContact SD-CG1 3.74Å; M324-V391 HydrophobicContact SD-CG2 3.65Å; M324-R395 PolarHBondContact O-NH2 2.87Å
325	K	97.4	Very high	97.4	Very high	59 Å²	59	22.4 Å²	22.4	26%	0.257	10%	0.099	S	C	.	.	H	α-helix	trans	-68.6	-18.2	175.4	-66.3	174	-175	171	0	113.6	E95 N98 S100 W190 R321 N322 L323	E95-K325 IonicContact OE1-NZ 3.97Å; E95-K325 PolarHBondContact OE1-NZ 3.23Å; N98-K325 PolarHBondContact ND2-O 2.86Å; S100-K325 WeakPolarHBondContact CA-O 3.34Å; S100-K325 WeakPolarHBondContact CB-O 3.5Å; W190-K325 HydrophobicContact CH2-CB 4.1Å; W190-K325 HydrophobicContact CH2-CD 4.27Å; W190-K325 HydrophobicContact CZ2-CD 4.13Å; R321-K325 WeakPolarHBondContact O-CG 3.41Å; R321-K325 PolarHBondContact O-N 3.08Å; R321-K325 VanDerWaalsContact O-N 3.14Å; N322-K325 WeakPolarHBondContact O-CB 3.39Å; N322-K325 PolarHBondContact O-N 3.12Å; N322-K325 VanDerWaalsContact O-N 3.12Å; N322-K325 PolarHBondContact OD1-NZ 2.86Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 2.74Å
326	M	98.5	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.106	C	C	.	.			trans	-74	139.9	-176.9	-70.6	-178.7	-177.8	0	0	112.4	F101 L124 W190 I217 T219 L292 N322 L323 M324 F328 R395	F101-M326 PolarHBondContact N-O 3.35Å; L124-M326 HydrophobicContact CD1-CE 4.07Å; W190-M326 HydrophobicContact CE3-CE 3.67Å; W190-M326 HydrophobicContact CZ3-CE 3.7Å; W190-M326 HydrophobicContact CZ3-CG 4.13Å; I217-M326 HydrophobicContact CB-CG 4.25Å; I217-M326 HydrophobicContact CG2-CE 3.97Å; I217-M326 HydrophobicContact CG2-CG 3.97Å; I217-M326 HydrophobicContact CG2-SD 4.34Å; I217-M326 WeakPolarHBondContact O-CB 3.4Å; T219-M326 HydrophobicContact CG2-CE 4.15Å; T219-M326 HydrophobicContact CG2-SD 3.48Å; T219-M326 WeakPolarHBondContact CG2-SD 3.48Å; L292-M326 HydrophobicContact CD2-CE 3.49Å; L292-M326 VanDerWaalsContact CD2-CE 3.49Å; L292-M326 HydrophobicContact CD2-SD 4.35Å; N322-M326 WeakPolarHBondContact O-CG 3.5Å; N322-M326 PolarHBondContact O-N 2.93Å; L323-M326 HydrophobicContact CD2-SD 4.29Å; L323-M326 PolarHBondContact O-N 3.26Å; M324-M326 VanDerWaalsContact C-N 3.25Å; M324-M326 PolarHBondContact O-N 3.38Å; M326-F328 PolarHBondContact O-N 3.4Å; M326-R395 PolarHBondContact O-NH1 3.47Å
327	A	97.7	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-59.4	-37.5	171.5	0	0	0	0	0	111.6	V99 L104 F216 I217 T345 F346	V99-A327 WeakPolarHBondContact O-CB 3.45Å; L104-A327 HydrophobicContact CD1-CB 4.07Å; F216-A327 HydrophobicContact CB-CB 3.97Å; F216-A327 HydrophobicContact CD1-CB 4.1Å; I217-A327 PolarHBondContact O-N 2.89Å; I217-A327 VanDerWaalsContact O-N 3.07Å; A327-T345 WeakPolarHBondContact O-CG2 3.18Å; A327-F346 HydrophobicContact CB-CE1 4.14Å; A327-F346 HydrophobicContact CB-CZ 3.76Å
328	F	98.5	Very high	97	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	146.8	-179.3	164.8	-94	0	0	0	111.6	F134 T218 T219 F220 M326 S338 L341 F342 T345 F346	F134-F328 HydrophobicContact CE1-CE1 4.48Å; F134-F328 HydrophobicContact CE2-CE1 4.25Å; F134-F328 HydrophobicContact CZ-CD1 4.47Å; F134-F328 AromaticContact CZ-CE1 3.89Å; F134-F328 HydrophobicContact CZ-CE1 3.89Å; T218-F328 WeakPolarHBondContact CA-O 3.35Å; T218-F328 HydrophobicContact CG2-CB 3.98Å; T218-F328 HydrophobicContact CG2-CD1 4.23Å; T219-F328 PolarHBondContact N-O 3.22Å; F220-F328 HydrophobicContact CD2-CE1 4.49Å; F220-F328 AromaticContact CE2-CE1 3.79Å; F220-F328 HydrophobicContact CE2-CE1 3.79Å; F220-F328 HydrophobicContact CE2-CZ 4.12Å; F220-F328 HydrophobicContact CZ-CE1 4.32Å; F220-F328 HydrophobicContact CZ-CZ 4.19Å; M326-F328 PolarHBondContact O-N 3.4Å; F328-S338 VanDerWaalsContact CE2-O 3.31Å; F328-S338 WeakPolarHBondContact CE2-O 3.49Å; F328-S338 WeakPolarHBondContact CZ-O 3.26Å; F328-L341 HydrophobicContact CD2-CD2 4.33Å; F328-L341 HydrophobicContact CD2-CG 4.1Å; F328-L341 HydrophobicContact CE2-CB 4.15Å; F328-L341 HydrophobicContact CE2-CD2 4.28Å; F328-L341 HydrophobicContact CE2-CG 4.12Å; F328-F342 AromaticContact CD1-CD2 3.79Å; F328-F342 HydrophobicContact CD1-CD2 3.79Å; F328-F342 HydrophobicContact CD2-CB 4.1Å; F328-F342 HydrophobicContact CD2-CD2 4.47Å; F328-F342 HydrophobicContact CE1-CB 4.28Å; F328-F342 AromaticContact CE1-CD2 3.94Å; F328-F342 HydrophobicContact CE1-CD2 3.94Å; F328-F342 HydrophobicContact CE2-CB 3.73Å; F328-F342 HydrophobicContact CG-CD2 4.07Å; F328-F342 HydrophobicContact CZ-CB 3.83Å; F328-F342 HydrophobicContact CZ-CD2 4.35Å; F328-T345 HydrophobicContact CB-CG2 4.46Å; F328-F346 HydrophobicContact CB-CE2 3.61Å; F328-F346 HydrophobicContact CB-CZ 4.05Å; F328-F346 HydrophobicContact CG-CE2 4.21Å
329	F	98.8	Very high	96.9	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.013	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.1	157.9	59.5	-96.9	0	0	0	109.6	T219 L221 L323 A388 V391 F392 R395	T219-F329 HydrophobicContact CG2-CB 3.61Å; T219-F329 VanDerWaalsContact O-CA 3.27Å; T219-F329 WeakPolarHBondContact O-CA 3.38Å; L221-F329 HydrophobicContact CD1-CB 3.89Å; L221-F329 HydrophobicContact CD1-CD2 3.46Å; L221-F329 VanDerWaalsContact CD1-CD2 3.46Å; L221-F329 HydrophobicContact CD1-CE2 4.21Å; L221-F329 HydrophobicContact CD1-CG 3.86Å; L323-F329 HydrophobicContact CB-CE1 4.25Å; L323-F329 HydrophobicContact CD2-CD1 3.82Å; L323-F329 HydrophobicContact CD2-CE1 4.06Å; L323-F329 HydrophobicContact CD2-CG 4.07Å; L323-F329 HydrophobicContact CD2-CZ 4.5Å; F329-A388 HydrophobicContact CE2-CB 3.91Å; F329-A388 VanDerWaalsContact CE2-O 3.26Å; F329-A388 WeakPolarHBondContact CE2-O 3.45Å; F329-A388 HydrophobicContact CZ-CB 4.33Å; F329-V391 HydrophobicContact CE1-CG1 3.97Å; F329-V391 HydrophobicContact CZ-CB 3.92Å; F329-V391 HydrophobicContact CZ-CG1 3.65Å; F329-F392 HydrophobicContact CE2-CB 3.9Å; F329-F392 WeakPolarHBondContact O-CD2 3.46Å; F329-R395 VanDerWaalsContact CE1-NH1 3.34Å
330	G	98	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	165.9	176.4	0	0	0	0	0	112.5	T219 F220 L221 S338	T219-G330 PolarHBondContact O-N 3.46Å; T219-G330 VanDerWaalsContact O-N 3.13Å; F220-G330 WeakPolarHBondContact CA-O 3.27Å; F220-G330 VanDerWaalsContact CD1-C 3.43Å; F220-G330 WeakPolarHBondContact CD1-O 3.28Å; F220-G330 VanDerWaalsContact CE1-C 3.48Å; F220-G330 VanDerWaalsContact CE1-CA 3.44Å; L221-G330 PolarHBondContact N-O 2.84Å; G330-S338 WeakPolarHBondContact CA-OG 3.01Å
331	L	97.3	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.5	175.4	-55.8	-179.1	0	0	0	109.3	L221 E333 E334 M335 S338 Y385 K389 F392	L221-L331 HydrophobicContact CB-CD2 4.08Å; L221-L331 HydrophobicContact CD1-CD2 4.49Å; L331-E333 PolarHBondContact O-N 3.42Å; L331-E334 HydrophobicContact CB-CB 4.39Å; L331-E334 CarbonylContact O-C 3.57Å; L331-E334 PolarHBondContact O-N 2.94Å; L331-M335 WeakPolarHBondContact O-CE 3.47Å; L331-S338 PolarHBondContact N-OG 2.75Å; L331-S338 PolarHBondContact O-OG 3.17Å; L331-Y385 HydrophobicContact CD2-CE2 3.98Å; L331-K389 HydrophobicContact CD1-CB 4.27Å; L331-K389 HydrophobicContact CD1-CG 4.06Å; L331-F392 HydrophobicContact CD1-CB 3.99Å; L331-F392 HydrophobicContact CD1-CD1 3.57Å; L331-F392 HydrophobicContact CD1-CD2 4.49Å; L331-F392 HydrophobicContact CD1-CE1 4.15Å; L331-F392 HydrophobicContact CD1-CG 3.77Å; L331-F392 HydrophobicContact CG-CB 4.26Å; L331-F392 HydrophobicContact CG-CD1 4.04Å; L331-F392 HydrophobicContact CG-CD2 4.12Å; L331-F392 HydrophobicContact CG-CE1 4.42Å; L331-F392 HydrophobicContact CG-CE2 4.5Å; L331-F392 HydrophobicContact CG-CG 3.87Å
332	Q	94.8	Very high	96.6	Very high	18 Å²	18	18.4 Å²	18.4	8%	0.084	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.8	177.7	178.4	57.5	27.8	0	0	112.8	L221 R222 E334 M335	L221-Q332 WeakPolarHBondContact O-CB 3.46Å; L221-Q332 PolarHBondContact O-N 3.23Å; R222-Q332 HydrophobicContact CB-CB 3.78Å; R222-Q332 HydrophobicContact CB-CG 4.42Å; R222-Q332 HydrophobicContact CG-CB 3.82Å; R222-Q332 HydrophobicContact CG-CG 4Å; Q332-E334 VanDerWaalsContact C-N 3.29Å; Q332-M335 VanDerWaalsContact CA-CE 3.41Å
333	E	93.3	Very high	96.5	Very high	73 Å²	73	18.9 Å²	18.9	34%	0.341	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.1	-179.1	-62.4	70.1	-152	0	0	113.3	R222 E223 L331 Y385	R222-E333 WeakPolarHBondContact CG-OE1 3.39Å; E223-E333 HydrophobicContact CB-CG 4.4Å; E223-E333 WeakPolarHBondContact CB-OE1 3.43Å; E223-E333 PolarHBondContact N-OE1 3.33Å; E223-E333 PolarHBondContact N-OE2 2.94Å; L331-E333 PolarHBondContact O-N 3.42Å; E333-Y385 PolarHBondContact OE2-OH 3.26Å
334	E	94.5	Very high	96.2	Very high	29 Å²	29	22.6 Å²	22.6	14%	0.136	10%	0.101	C	C	.	.			trans	-135.9	57.9	-175.7	-61.5	-172.8	-125.2	0	0	110.3	L331 Q332 R336 K337 S338 F392 H393	L331-E334 HydrophobicContact CB-CB 4.39Å; L331-E334 CarbonylContact O-C 3.57Å; L331-E334 PolarHBondContact O-N 2.94Å; Q332-E334 VanDerWaalsContact C-N 3.29Å; E334-R336 PolarHBondContact O-N 3.35Å; E334-K337 HydrophobicContact CB-CB 4.32Å; E334-K337 HydrophobicContact CB-CD 4.42Å; E334-K337 PolarHBondContact O-N 3.19Å; E334-K337 WeakPolarHBondContact OE2-CD 3.22Å; E334-K337 WeakPolarHBondContact OE2-CE 2.97Å; E334-K337 IonicContact OE2-NZ 2.93Å; E334-K337 PolarHBondContact OE2-NZ 2.94Å; E334-S338 VanDerWaalsContact O-CB 3.32Å; E334-S338 WeakPolarHBondContact O-CB 3.38Å; E334-S338 PolarHBondContact O-N 2.96Å; E334-S338 PolarHBondContact O-OG 2.84Å; E334-F392 HydrophobicContact CB-CE1 4.18Å; E334-F392 HydrophobicContact CB-CZ 4.48Å; E334-H393 IonicContact OE1-CE1 3.31Å; E334-H393 PolarHBondContact OE1-CE1 3.4Å; E334-H393 IonicContact OE1-NE2 3.46Å; E334-H393 PolarHBondContact OE1-NE2 3.12Å; E334-H393 IonicContact OE2-CE1 3.76Å; E334-H393 PolarHBondContact OE2-CE1 2.9Å; E334-H393 VanDerWaalsContact OE2-CE1 3.23Å; E334-H393 IonicContact OE2-ND1 2.72Å
335	M	93.6	Very high	96.1	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.02	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-42.3	-172.2	-63.2	-82.5	77	0	0	112.2	F220 L331 Q332 S338 Q339 M354 D356	F220-M335 HydrophobicContact CD1-CE 3.73Å; F220-M335 HydrophobicContact CE1-CE 3.12Å; F220-M335 HydrophobicContact CZ-CE 4Å; L331-M335 WeakPolarHBondContact O-CE 3.47Å; Q332-M335 VanDerWaalsContact CA-CE 3.41Å; M335-S338 WeakPolarHBondContact O-CB 3.42Å; M335-S338 PolarHBondContact O-N 3.37Å; M335-Q339 PolarHBondContact O-N 2.68Å; M335-M354 HydrophobicContact CB-CB 4.15Å; M335-D356 VanDerWaalsContact CB-OD1 3.26Å; M335-D356 WeakPolarHBondContact CB-OD1 3.31Å; M335-D356 PolarHBondContact N-OD1 3.33Å
336	R	93.1	Very high	96	Very high	50 Å²	50	17.5 Å²	17.5	19%	0.189	8%	0.078	C	C	.	.	H	α-helix	trans	-63.4	-44.7	179.4	-72.2	-68.3	-70.7	162	-11.8	112.4	E334 S338 Q339 Y340 M354 M410 A411 T412	E334-R336 PolarHBondContact O-N 3.35Å; R336-S338 VanDerWaalsContact C-N 3.31Å; R336-S338 PolarHBondContact O-N 3.37Å; R336-Q339 WeakPolarHBondContact O-CB 3.31Å; R336-Q339 PolarHBondContact O-N 3.01Å; R336-Y340 PolarHBondContact O-N 2.77Å; R336-M354 WeakPolarHBondContact CD-O 3.28Å; R336-M354 WeakPolarHBondContact CG-O 3.31Å; R336-M410 HydrophobicContact CB-CE 3.79Å; R336-M410 PolarHBondContact NH2-O 3.35Å; R336-A411 PolarHBondContact NH2-O 3.45Å; R336-T412 VanDerWaalsContact CZ-OXT 3.28Å; R336-T412 PolarHBondContact NH1-OXT 3.36Å; R336-T412 PolarHBondContact NH2-OXT 2.93Å
337	K	95.4	Very high	95.7	Very high	70 Å²	70	20.8 Å²	20.8	30%	0.304	11%	0.112	S	C	.	.	H	α-helix	trans	-67.8	-35.1	175.8	-69.3	177.6	-177.6	171.9	0	111.6	E334 Y340 L341 F392 F396 M410	E334-K337 HydrophobicContact CB-CB 4.32Å; E334-K337 HydrophobicContact CB-CD 4.42Å; E334-K337 PolarHBondContact O-N 3.19Å; E334-K337 WeakPolarHBondContact OE2-CD 3.22Å; E334-K337 WeakPolarHBondContact OE2-CE 2.97Å; E334-K337 IonicContact OE2-NZ 2.93Å; E334-K337 PolarHBondContact OE2-NZ 2.94Å; K337-Y340 PolarHBondContact O-N 3.26Å; K337-L341 WeakPolarHBondContact O-CB 3.37Å; K337-L341 PolarHBondContact O-N 3.43Å; K337-F392 HydrophobicContact CB-CE1 4.08Å; K337-F392 HydrophobicContact CB-CZ 3.9Å; K337-F396 HydrophobicContact CB-CD2 3.79Å; K337-F396 HydrophobicContact CB-CE2 3.63Å; K337-F396 HydrophobicContact CB-CZ 4.36Å; K337-F396 HydrophobicContact CD-CD2 4.41Å; K337-F396 HydrophobicContact CD-CE1 4.38Å; K337-F396 HydrophobicContact CD-CE2 4.17Å; K337-F396 HydrophobicContact CD-CZ 4.16Å; K337-F396 HydrophobicContact CG-CD2 4.09Å; K337-F396 HydrophobicContact CG-CE1 4.48Å; K337-F396 HydrophobicContact CG-CE2 3.55Å; K337-F396 HydrophobicContact CG-CZ 3.78Å; K337-M410 HydrophobicContact CB-CE 4.45Å; K337-M410 HydrophobicContact CG-CE 3.72Å
338	S	96.7	Very high	95.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-41.2	176.1	-60.3	0	0	0	0	111.5	F328 G330 L331 E334 M335 R336 F342	F328-S338 VanDerWaalsContact CE2-O 3.31Å; F328-S338 WeakPolarHBondContact CE2-O 3.49Å; F328-S338 WeakPolarHBondContact CZ-O 3.26Å; G330-S338 WeakPolarHBondContact CA-OG 3.01Å; L331-S338 PolarHBondContact N-OG 2.75Å; L331-S338 PolarHBondContact O-OG 3.17Å; E334-S338 VanDerWaalsContact O-CB 3.32Å; E334-S338 WeakPolarHBondContact O-CB 3.38Å; E334-S338 PolarHBondContact O-N 2.96Å; E334-S338 PolarHBondContact O-OG 2.84Å; M335-S338 WeakPolarHBondContact O-CB 3.42Å; M335-S338 PolarHBondContact O-N 3.37Å; R336-S338 VanDerWaalsContact C-N 3.31Å; R336-S338 PolarHBondContact O-N 3.37Å; S338-F342 WeakPolarHBondContact O-CB 3.28Å; S338-F342 PolarHBondContact O-N 3.19Å
339	Q	95.8	Very high	95.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-55.2	172	-176.2	-164.7	-28.3	0	0	110.4	M335 R336 L341 F342 E343 F350 P353 M354	M335-Q339 PolarHBondContact O-N 2.68Å; R336-Q339 WeakPolarHBondContact O-CB 3.31Å; R336-Q339 PolarHBondContact O-N 3.01Å; Q339-L341 VanDerWaalsContact C-N 3.34Å; Q339-L341 PolarHBondContact O-N 3.46Å; Q339-F342 WeakPolarHBondContact O-CB 3.37Å; Q339-F342 PolarHBondContact O-N 3.43Å; Q339-F342 VanDerWaalsContact O-N 3.15Å; Q339-E343 HydrophobicContact CG-CG 4.41Å; Q339-E343 PolarHBondContact NE2-OE1 3.24Å; Q339-E343 WeakPolarHBondContact O-CG 3.39Å; Q339-E343 PolarHBondContact O-N 2.83Å; Q339-F350 HydrophobicContact CG-CD2 3.61Å; Q339-F350 HydrophobicContact CG-CE2 4.21Å; Q339-F350 HydrophobicContact CG-CG 4.48Å; Q339-P353 VanDerWaalsContact OE1-CA 3.31Å; Q339-M354 HydrophobicContact CB-CB 4.26Å; Q339-M354 HydrophobicContact CB-CG 4.17Å; Q339-M354 HydrophobicContact CB-SD 4.01Å; Q339-M354 HydrophobicContact CG-CE 4.42Å; Q339-M354 HydrophobicContact CG-CG 4.27Å; Q339-M354 HydrophobicContact CG-SD 4.41Å
340	Y	96	Very high	95.2	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-54.8	-49.7	179.6	172.5	-93.2	0	0	0	111.9	R336 K337 F342 E343 K344 F396 A399 D403 F406 N409 M410	R336-Y340 PolarHBondContact O-N 2.77Å; K337-Y340 PolarHBondContact O-N 3.26Å; Y340-F342 VanDerWaalsContact C-N 3.31Å; Y340-F342 PolarHBondContact O-N 2.86Å; Y340-E343 PolarHBondContact O-N 2.85Å; Y340-K344 HydrophobicContact CD1-CG 4.2Å; Y340-K344 HydrophobicContact CD2-CG 4.21Å; Y340-K344 HydrophobicContact CE1-CG 3.74Å; Y340-K344 HydrophobicContact CE2-CD 3.94Å; Y340-K344 HydrophobicContact CE2-CG 3.74Å; Y340-K344 HydrophobicContact CG-CG 4.41Å; Y340-K344 VanDerWaalsContact CZ-CG 3.47Å; Y340-K344 VanDerWaalsContact O-CG 3.31Å; Y340-K344 WeakPolarHBondContact O-CG 3.49Å; Y340-K344 PolarHBondContact O-N 2.72Å; Y340-F396 AromaticContact CD1-CD2 3.88Å; Y340-F396 HydrophobicContact CD1-CD2 3.88Å; Y340-F396 AromaticContact CD1-CE2 3.48Å; Y340-F396 HydrophobicContact CD1-CE2 3.48Å; Y340-F396 VanDerWaalsContact CD1-CE2 3.48Å; Y340-F396 HydrophobicContact CD1-CZ 4.35Å; Y340-F396 HydrophobicContact CE1-CD2 4.45Å; Y340-F396 HydrophobicContact CE1-CE2 4.12Å; Y340-F396 HydrophobicContact CG-CE2 4.21Å; Y340-A399 HydrophobicContact CE1-CB 3.94Å; Y340-A399 PolarHBondContact OH-O 3.05Å; Y340-D403 VanDerWaalsContact OH-CB 3.24Å; Y340-D403 WeakPolarHBondContact OH-CB 3.02Å; Y340-D403 PolarHBondContact OH-OD2 3.18Å; Y340-F406 HydrophobicContact CD1-CE2 4.36Å; Y340-F406 HydrophobicContact CD2-CD2 4.4Å; Y340-F406 HydrophobicContact CD2-CE2 4.39Å; Y340-F406 HydrophobicContact CE1-CD2 4.06Å; Y340-F406 HydrophobicContact CE1-CE2 4.03Å; Y340-F406 AromaticContact CE2-CD2 3.67Å; Y340-F406 HydrophobicContact CE2-CD2 3.67Å; Y340-F406 HydrophobicContact CE2-CE2 4.07Å; Y340-F406 AromaticContact CZ-CD2 3.49Å; Y340-F406 VanDerWaalsContact CZ-CD2 3.49Å; Y340-F406 AromaticContact CZ-CE2 3.89Å; Y340-N409 HydrophobicContact CD2-CB 4.35Å; Y340-N409 HydrophobicContact CE2-CB 4Å; Y340-M410 HydrophobicContact CD2-CB 4.43Å; Y340-M410 HydrophobicContact CD2-SD 4.28Å; Y340-M410 HydrophobicContact CG-SD 3.98Å
341	L	96.8	Very high	95	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-42.1	-179.9	-179.7	59.9	0	0	0	111.2	F101 F328 K337 Q339 T345 F392 R395 A399	F101-L341 HydrophobicContact CE2-CD1 3.9Å; F101-L341 HydrophobicContact CZ-CD1 4.44Å; F328-L341 HydrophobicContact CD2-CD2 4.33Å; F328-L341 HydrophobicContact CD2-CG 4.1Å; F328-L341 HydrophobicContact CE2-CB 4.15Å; F328-L341 HydrophobicContact CE2-CD2 4.28Å; F328-L341 HydrophobicContact CE2-CG 4.12Å; K337-L341 WeakPolarHBondContact O-CB 3.37Å; K337-L341 PolarHBondContact O-N 3.43Å; Q339-L341 VanDerWaalsContact C-N 3.34Å; Q339-L341 PolarHBondContact O-N 3.46Å; L341-T345 WeakPolarHBondContact O-CB 3.41Å; L341-T345 PolarHBondContact O-N 3.44Å; L341-T345 PolarHBondContact O-OG1 3Å; L341-F392 HydrophobicContact CD2-CD2 3.79Å; L341-F392 HydrophobicContact CD2-CE2 3.71Å; L341-R395 HydrophobicContact CD1-CB 4.17Å; L341-R395 HydrophobicContact CD2-CB 4.03Å; L341-A399 HydrophobicContact CD1-CB 3.94Å
342	F	97.3	Very high	94.7	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-51.5	175.6	178.8	-87.6	0	0	0	111.4	L121 F134 L138 L142 F328 S338 Q339 Y340 K344 T345 F346 L348 F350	L121-F342 HydrophobicContact CD1-CE2 4.04Å; L121-F342 HydrophobicContact CD1-CZ 4.15Å; F134-F342 HydrophobicContact CE2-CD2 4.1Å; F134-F342 HydrophobicContact CE2-CE2 4.49Å; F134-F342 HydrophobicContact CE2-CG 4.29Å; F134-F342 AromaticContact CZ-CD2 3.56Å; F134-F342 HydrophobicContact CZ-CD2 3.56Å; F134-F342 AromaticContact CZ-CE2 3.68Å; F134-F342 HydrophobicContact CZ-CE2 3.68Å; F134-F342 HydrophobicContact CZ-CG 4.2Å; F134-F342 HydrophobicContact CZ-CZ 4.41Å; L138-F342 HydrophobicContact CD2-CE1 4.03Å; L138-F342 HydrophobicContact CD2-CE2 3.92Å; L138-F342 HydrophobicContact CD2-CZ 3.42Å; L138-F342 VanDerWaalsContact CD2-CZ 3.42Å; L142-F342 HydrophobicContact CD1-CE1 4.05Å; F328-F342 AromaticContact CD1-CD2 3.79Å; F328-F342 HydrophobicContact CD1-CD2 3.79Å; F328-F342 HydrophobicContact CD2-CB 4.1Å; F328-F342 HydrophobicContact CD2-CD2 4.47Å; F328-F342 HydrophobicContact CE1-CB 4.28Å; F328-F342 AromaticContact CE1-CD2 3.94Å; F328-F342 HydrophobicContact CE1-CD2 3.94Å; F328-F342 HydrophobicContact CE2-CB 3.73Å; F328-F342 HydrophobicContact CG-CD2 4.07Å; F328-F342 HydrophobicContact CZ-CB 3.83Å; F328-F342 HydrophobicContact CZ-CD2 4.35Å; S338-F342 WeakPolarHBondContact O-CB 3.28Å; S338-F342 PolarHBondContact O-N 3.19Å; Q339-F342 WeakPolarHBondContact O-CB 3.37Å; Q339-F342 PolarHBondContact O-N 3.43Å; Q339-F342 VanDerWaalsContact O-N 3.15Å; Y340-F342 VanDerWaalsContact C-N 3.31Å; Y340-F342 PolarHBondContact O-N 2.86Å; F342-K344 VanDerWaalsContact C-N 3.32Å; F342-K344 PolarHBondContact O-N 2.83Å; F342-T345 PolarHBondContact O-N 3.36Å; F342-T345 VanDerWaalsContact O-N 3.17Å; F342-F346 HydrophobicContact CD1-CD2 4.22Å; F342-F346 AromaticContact CD2-CD2 3.45Å; F342-F346 HydrophobicContact CD2-CD2 3.45Å; F342-F346 VanDerWaalsContact CD2-CD2 3.45Å; F342-F346 AromaticContact CD2-CE2 3.49Å; F342-F346 HydrophobicContact CD2-CE2 3.49Å; F342-F346 VanDerWaalsContact CD2-CE2 3.49Å; F342-F346 HydrophobicContact CE1-CD2 4.12Å; F342-F346 AromaticContact CE2-CD2 3.34Å; F342-F346 HydrophobicContact CE2-CD2 3.34Å; F342-F346 AromaticContact CE2-CE2 3.39Å; F342-F346 HydrophobicContact CE2-CE2 3.39Å; F342-F346 HydrophobicContact CE2-CG 4.29Å; F342-F346 HydrophobicContact CE2-CZ 4.37Å; F342-F346 AromaticContact CG-CD2 3.91Å; F342-F346 HydrophobicContact CG-CD2 3.91Å; F342-F346 HydrophobicContact CG-CE2 4.34Å; F342-F346 AromaticContact CZ-CD2 3.69Å; F342-F346 HydrophobicContact CZ-CD2 3.69Å; F342-F346 HydrophobicContact CZ-CE2 4.17Å; F342-F346 HydrophobicContact CZ-CG 4.27Å; F342-F346 VanDerWaalsContact O-CD2 3.31Å; F342-F346 WeakPolarHBondContact O-CD2 3.47Å; F342-F346 PolarHBondContact O-N 2.64Å; F342-L348 HydrophobicContact CE1-CB 4.44Å; F342-L348 HydrophobicContact CE1-CD1 4.28Å; F342-L348 HydrophobicContact CZ-CD1 4.42Å; F342-F350 HydrophobicContact CB-CE2 4.47Å; F342-F350 HydrophobicContact CD1-CD2 4.43Å; F342-F350 AromaticContact CD1-CE2 3.35Å; F342-F350 HydrophobicContact CD1-CE2 3.35Å; F342-F350 AromaticContact CD1-CZ 3.63Å; F342-F350 HydrophobicContact CD1-CZ 3.63Å; F342-F350 AromaticContact CE1-CE2 3.82Å; F342-F350 HydrophobicContact CE1-CE2 3.82Å; F342-F350 AromaticContact CE1-CZ 3.64Å; F342-F350 HydrophobicContact CE1-CZ 3.64Å; F342-F350 HydrophobicContact CG-CE2 4.09Å; F342-F350 HydrophobicContact CG-CZ 4.37Å; F342-F350 HydrophobicContact CZ-CZ 4.39Å
343	E	95.6	Very high	94.5	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.065	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-44.6	-178.3	-70.6	-178.2	171.3	0	0	111.9	Q339 Y340 G347 L348 F350	Q339-E343 HydrophobicContact CG-CG 4.41Å; Q339-E343 PolarHBondContact NE2-OE1 3.24Å; Q339-E343 WeakPolarHBondContact O-CG 3.39Å; Q339-E343 PolarHBondContact O-N 2.83Å; Y340-E343 PolarHBondContact O-N 2.85Å; E343-G347 WeakPolarHBondContact O-CA 3.26Å; E343-G347 PolarHBondContact O-N 2.75Å; E343-L348 CarbonylContact C-O 3.51Å; E343-L348 WeakPolarHBondContact CA-O 3.32Å; E343-L348 WeakPolarHBondContact CB-O 3.27Å; E343-L348 VanDerWaalsContact CG-O 3.26Å; E343-L348 WeakPolarHBondContact CG-O 3.46Å; E343-L348 PolarHBondContact O-N 3.03Å; E343-F350 HydrophobicContact CG-CD2 3.86Å; E343-F350 HydrophobicContact CG-CE2 4.27Å; E343-F350 WeakPolarHBondContact OE1-CD2 3.45Å; E343-F350 PolarHBondContact OE1-N 2.87Å
344	K	94	Very high	94.4	Very high	77 Å²	77	36.5 Å²	36.5	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-66.3	-40.8	175.6	-65	-63.6	-69.2	-171.3	0	112.8	Y340 F342 A399 D403	Y340-K344 HydrophobicContact CD1-CG 4.2Å; Y340-K344 HydrophobicContact CD2-CG 4.21Å; Y340-K344 HydrophobicContact CE1-CG 3.74Å; Y340-K344 HydrophobicContact CE2-CD 3.94Å; Y340-K344 HydrophobicContact CE2-CG 3.74Å; Y340-K344 HydrophobicContact CG-CG 4.41Å; Y340-K344 VanDerWaalsContact CZ-CG 3.47Å; Y340-K344 VanDerWaalsContact O-CG 3.31Å; Y340-K344 WeakPolarHBondContact O-CG 3.49Å; Y340-K344 PolarHBondContact O-N 2.72Å; F342-K344 VanDerWaalsContact C-N 3.32Å; F342-K344 PolarHBondContact O-N 2.83Å; K344-A399 HydrophobicContact CB-CB 4.16Å; K344-A399 HydrophobicContact CG-CB 4.4Å; K344-D403 WeakPolarHBondContact CE-OD2 3.45Å; K344-D403 IonicContact NZ-OD1 3.48Å; K344-D403 IonicContact NZ-OD2 3.01Å; K344-D403 PolarHBondContact NZ-OD2 3.38Å
345	T	94.9	Very high	93.7	Very high	10 Å²	10	39.4 Å²	39.4	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-42.2	-179.1	-62.9	0	0	0	0	111.7	F101 L104 A327 F328 L341 F342	F101-T345 HydrophobicContact CD2-CG2 4.18Å; L104-T345 HydrophobicContact CD1-CG2 3.56Å; A327-T345 WeakPolarHBondContact O-CG2 3.18Å; F328-T345 HydrophobicContact CB-CG2 4.46Å; L341-T345 WeakPolarHBondContact O-CB 3.41Å; L341-T345 PolarHBondContact O-N 3.44Å; L341-T345 PolarHBondContact O-OG1 3Å; F342-T345 PolarHBondContact O-N 3.36Å; F342-T345 VanDerWaalsContact O-N 3.17Å
346	F	95.1	Very high	92.6	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-101.9	-8.2	-173.1	-67.2	-74.8	0	0	0	114.4	F113 L121 F216 T218 A327 F328 F342 L348	F113-F346 HydrophobicContact CB-CD1 3.68Å; F113-F346 HydrophobicContact CB-CE1 4.41Å; F113-F346 HydrophobicContact CD1-CD1 4.22Å; F113-F346 HydrophobicContact CD2-CD1 4.47Å; F113-F346 AromaticContact CG-CD1 3.87Å; F113-F346 HydrophobicContact CG-CD1 3.87Å; F113-F346 HydrophobicContact CG-CE1 4.49Å; L121-F346 HydrophobicContact CD1-CD1 3.99Å; L121-F346 HydrophobicContact CD1-CD2 4.43Å; L121-F346 HydrophobicContact CD1-CE1 3.63Å; L121-F346 HydrophobicContact CD1-CE2 4.1Å; L121-F346 HydrophobicContact CD1-CG 4.39Å; L121-F346 HydrophobicContact CD1-CZ 3.69Å; F216-F346 HydrophobicContact CB-CE1 3.87Å; F216-F346 HydrophobicContact CB-CZ 4.4Å; F216-F346 AromaticContact CD1-CE1 3.95Å; F216-F346 HydrophobicContact CD1-CE1 3.95Å; F216-F346 HydrophobicContact CG-CE1 4.19Å; T218-F346 HydrophobicContact CG2-CE2 4.08Å; T218-F346 HydrophobicContact CG2-CZ 3.68Å; A327-F346 HydrophobicContact CB-CE1 4.14Å; A327-F346 HydrophobicContact CB-CZ 3.76Å; F328-F346 HydrophobicContact CB-CE2 3.61Å; F328-F346 HydrophobicContact CB-CZ 4.05Å; F328-F346 HydrophobicContact CG-CE2 4.21Å; F342-F346 HydrophobicContact CD1-CD2 4.22Å; F342-F346 AromaticContact CD2-CD2 3.45Å; F342-F346 HydrophobicContact CD2-CD2 3.45Å; F342-F346 VanDerWaalsContact CD2-CD2 3.45Å; F342-F346 AromaticContact CD2-CE2 3.49Å; F342-F346 HydrophobicContact CD2-CE2 3.49Å; F342-F346 VanDerWaalsContact CD2-CE2 3.49Å; F342-F346 HydrophobicContact CE1-CD2 4.12Å; F342-F346 AromaticContact CE2-CD2 3.34Å; F342-F346 HydrophobicContact CE2-CD2 3.34Å; F342-F346 AromaticContact CE2-CE2 3.39Å; F342-F346 HydrophobicContact CE2-CE2 3.39Å; F342-F346 HydrophobicContact CE2-CG 4.29Å; F342-F346 HydrophobicContact CE2-CZ 4.37Å; F342-F346 AromaticContact CG-CD2 3.91Å; F342-F346 HydrophobicContact CG-CD2 3.91Å; F342-F346 HydrophobicContact CG-CE2 4.34Å; F342-F346 AromaticContact CZ-CD2 3.69Å; F342-F346 HydrophobicContact CZ-CD2 3.69Å; F342-F346 HydrophobicContact CZ-CE2 4.17Å; F342-F346 HydrophobicContact CZ-CG 4.27Å; F342-F346 VanDerWaalsContact O-CD2 3.31Å; F342-F346 WeakPolarHBondContact O-CD2 3.47Å; F342-F346 PolarHBondContact O-N 2.64Å; F346-L348 HydrophobicContact CB-CB 4.35Å; F346-L348 HydrophobicContact CB-CD1 3.71Å; F346-L348 HydrophobicContact CB-CG 3.9Å; F346-L348 PolarHBondContact O-N 3.33Å
347	G	92.9	Very high	91.2	Very high	70 Å²	70	44.3 Å²	44.3	72%	0.722	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	31.5	-172.7	0	0	0	0	0	112.5	E343	E343-G347 WeakPolarHBondContact O-CA 3.26Å; E343-G347 PolarHBondContact O-N 2.75Å
348	L	94	Very high	89.5	Confident	13 Å²	13	49.1 Å²	49.1	7%	0.068	26%	0.258	C	S	.	.			trans	-116.8	163.8	-179.5	-60.8	170.5	0	0	0	109.5	F113 Y115 L142 L144 F342 E343 F346	F113-L348 HydrophobicContact CD1-CD1 4.11Å; F113-L348 HydrophobicContact CE1-CD1 4.19Å; Y115-L348 HydrophobicContact CD1-CD2 4.15Å; Y115-L348 HydrophobicContact CE1-CD2 4.12Å; L142-L348 HydrophobicContact CD1-CB 3.88Å; L142-L348 HydrophobicContact CD1-CD1 4.36Å; L142-L348 HydrophobicContact CD2-CD1 4.11Å; L144-L348 HydrophobicContact CD2-CD2 4.15Å; F342-L348 HydrophobicContact CE1-CB 4.44Å; F342-L348 HydrophobicContact CE1-CD1 4.28Å; F342-L348 HydrophobicContact CZ-CD1 4.42Å; E343-L348 CarbonylContact C-O 3.51Å; E343-L348 WeakPolarHBondContact CA-O 3.32Å; E343-L348 WeakPolarHBondContact CB-O 3.27Å; E343-L348 VanDerWaalsContact CG-O 3.26Å; E343-L348 WeakPolarHBondContact CG-O 3.46Å; E343-L348 PolarHBondContact O-N 3.03Å; F346-L348 HydrophobicContact CB-CB 4.35Å; F346-L348 HydrophobicContact CB-CD1 3.71Å; F346-L348 HydrophobicContact CB-CG 3.9Å; F346-L348 PolarHBondContact O-N 3.33Å
349	R	94.6	Very high	87.6	Confident	132 Å²	132	53 Å²	53	50%	0.498	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.7	177.3	-72.6	-170.5	172.9	-155.9	-9.7	111.9	D143 N409	D143-R349 HydrophobicContact CB-CB 4.46Å; D143-R349 WeakPolarHBondContact CB-O 3.27Å; D143-R349 PolarHBondContact N-O 3.15Å; R349-N409 PolarHBondContact NH2-OD1 2.91Å
350	F	95.3	Very high	86	Confident	15 Å²	15	60.6 Å²	60.6	7%	0.066	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.1	167	-63.6	-78.6	0	0	0	110.5	F134 Y137 L138 Q141 L142 Q339 F342 E343 K352 M354	F134-F350 HydrophobicContact CE2-CZ 4.07Å; Y137-F350 HydrophobicContact CD1-CD1 4.23Å; L138-F350 HydrophobicContact CD2-CE1 4.17Å; L138-F350 HydrophobicContact CD2-CZ 3.95Å; Q141-F350 HydrophobicContact CB-CD1 4.27Å; Q141-F350 CarbonylContact O-C 3.59Å; Q141-F350 VanDerWaalsContact O-CA 3.25Å; Q141-F350 WeakPolarHBondContact O-CA 3.36Å; L142-F350 HydrophobicContact CB-CD1 4.37Å; L142-F350 HydrophobicContact CB-CE1 4.34Å; L142-F350 HydrophobicContact CD1-CD1 3.92Å; L142-F350 HydrophobicContact CD1-CE1 3.68Å; L142-F350 HydrophobicContact CD1-CG 4.45Å; L142-F350 HydrophobicContact CD1-CZ 4.03Å; Q339-F350 HydrophobicContact CG-CD2 3.61Å; Q339-F350 HydrophobicContact CG-CE2 4.21Å; Q339-F350 HydrophobicContact CG-CG 4.48Å; F342-F350 HydrophobicContact CB-CE2 4.47Å; F342-F350 HydrophobicContact CD1-CD2 4.43Å; F342-F350 AromaticContact CD1-CE2 3.35Å; F342-F350 HydrophobicContact CD1-CE2 3.35Å; F342-F350 AromaticContact CD1-CZ 3.63Å; F342-F350 HydrophobicContact CD1-CZ 3.63Å; F342-F350 AromaticContact CE1-CE2 3.82Å; F342-F350 HydrophobicContact CE1-CE2 3.82Å; F342-F350 AromaticContact CE1-CZ 3.64Å; F342-F350 HydrophobicContact CE1-CZ 3.64Å; F342-F350 HydrophobicContact CG-CE2 4.09Å; F342-F350 HydrophobicContact CG-CZ 4.37Å; F342-F350 HydrophobicContact CZ-CZ 4.39Å; E343-F350 HydrophobicContact CG-CD2 3.86Å; E343-F350 HydrophobicContact CG-CE2 4.27Å; E343-F350 WeakPolarHBondContact OE1-CD2 3.45Å; E343-F350 PolarHBondContact OE1-N 2.87Å; F350-K352 PolarHBondContact O-N 2.91Å; F350-M354 HydrophobicContact CD1-CE 4.17Å; F350-M354 HydrophobicContact CD2-CE 3.78Å; F350-M354 HydrophobicContact CE1-CE 3.82Å; F350-M354 HydrophobicContact CE2-CE 3.37Å; F350-M354 HydrophobicContact CG-CE 4.14Å; F350-M354 HydrophobicContact CZ-CE 3.4Å
351	N	94.1	Very high	84.3	Confident	105 Å²	105	61.4 Å²	61.4	56%	0.561	32%	0.324	S	S	*	.	S	Bend	trans	-75.2	-6.7	175.5	-66.1	-39.1	0	0	0	113.2	Q141 D143	Q141-N351 PolarHBondContact O-N 3.17Å; Q141-N351 PolarHBondContact O-ND2 2.76Å; D143-N351 WeakPolarHBondContact CB-OD1 3.24Å
352	K	91.9	Very high	82.5	Confident	106 Å²	106	63.7 Å²	63.7	46%	0.461	34%	0.34	S	S	.	.	S	Bend	trans	-142.5	137.9	-178.4	-171.5	177.5	179.3	172	0	109.9	Y137 Q141 F350	Y137-K352 HydrophobicContact CE1-CB 3.99Å; Y137-K352 HydrophobicContact CE1-CD 4.5Å; Y137-K352 HydrophobicContact CE1-CG 4.25Å; Y137-K352 VanDerWaalsContact CE1-O 3.3Å; Y137-K352 WeakPolarHBondContact CE1-O 3.44Å; Q141-K352 HydrophobicContact CG-CB 4.45Å; F350-K352 PolarHBondContact O-N 2.91Å
353	P	90.5	Very high	80.7	Confident	51 Å²	51	66.1 Å²	66.1	33%	0.331	36%	0.356	S	S	.	.			trans	-64.6	133.3	172.8	27.3	-37.6	0	0	0	111.5	Y137 Q339 V355	Y137-P353 PolarHBondContact OH-O 3.14Å; Y137-P353 VanDerWaalsContact OH-O 3.08Å; Q339-P353 VanDerWaalsContact OE1-CA 3.31Å; P353-V355 PolarHBondContact O-N 3.3Å
354	M	89.6	Confident	79.3	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.015	39%	0.386	C	S	.	.			trans	-73.6	103.6	165.8	-64.1	-176.1	-168.5	0	0	108.4	F134 Y137 M335 R336 Q339 F350	F134-M354 HydrophobicContact CD2-CE 3.49Å; F134-M354 VanDerWaalsContact CD2-CE 3.49Å; F134-M354 HydrophobicContact CD2-SD 3.95Å; F134-M354 HydrophobicContact CE2-CE 3.77Å; Y137-M354 HydrophobicContact CD1-CE 3.97Å; Y137-M354 HydrophobicContact CD1-CG 3.7Å; Y137-M354 HydrophobicContact CD2-CG 4.4Å; Y137-M354 HydrophobicContact CE1-CG 3.73Å; Y137-M354 HydrophobicContact CE2-CG 4.41Å; Y137-M354 HydrophobicContact CG-CE 3.88Å; Y137-M354 HydrophobicContact CG-CG 4.06Å; M335-M354 HydrophobicContact CB-CB 4.15Å; R336-M354 WeakPolarHBondContact CD-O 3.28Å; R336-M354 WeakPolarHBondContact CG-O 3.31Å; Q339-M354 HydrophobicContact CB-CB 4.26Å; Q339-M354 HydrophobicContact CB-CG 4.17Å; Q339-M354 HydrophobicContact CB-SD 4.01Å; Q339-M354 HydrophobicContact CG-CE 4.42Å; Q339-M354 HydrophobicContact CG-CG 4.27Å; Q339-M354 HydrophobicContact CG-SD 4.41Å; F350-M354 HydrophobicContact CD1-CE 4.17Å; F350-M354 HydrophobicContact CD2-CE 3.78Å; F350-M354 HydrophobicContact CE1-CE 3.82Å; F350-M354 HydrophobicContact CE2-CE 3.37Å; F350-M354 HydrophobicContact CG-CE 4.14Å; F350-M354 HydrophobicContact CZ-CE 3.4Å
355	V	80.6	Confident	78.7	Confident	90 Å²	90	72.4 Å²	72.4	55%	0.545	39%	0.394	S	S	.	.			trans	-72.8	142.1	173.9	-64	0	0	0	0	110.1	P353 M357	P353-V355 PolarHBondContact O-N 3.3Å; V355-M357 PolarHBondContact O-N 3.12Å
356	D	69.8	Low	78.4	Confident	92 Å²	92	72.3 Å²	72.3	49%	0.492	39%	0.393	S	S	.	.			trans	-58.9	113.3	167.1	-62.5	-42.8	0	0	0	107.3	M335 E358	M335-D356 VanDerWaalsContact CB-OD1 3.26Å; M335-D356 WeakPolarHBondContact CB-OD1 3.31Å; M335-D356 PolarHBondContact N-OD1 3.33Å; D356-E358 PolarHBondContact O-N 2.81Å
357	M	63.9	Low	78.3	Confident	64 Å²	64	73.8 Å²	73.8	32%	0.315	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-72.6	123.4	176.5	-68.7	-167.5	-66.3	0	0	107.1	T133 V355	T133-M357 HydrophobicContact CG2-CE 4.05Å; T133-M357 HydrophobicContact CG2-SD 4.08Å; T133-M357 WeakPolarHBondContact OG1-CE 3.33Å; T133-M357 PolarHBondContact OG1-SD 2.95Å; V355-M357 PolarHBondContact O-N 3.12Å
358	E	59.5	Low	78.3	Confident	172 Å²	172	75.1 Å²	75.1	80%	0.804	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-49	139.6	165.8	-72.4	-174.1	174.9	0	0	109.2	D356 Q360	D356-E358 PolarHBondContact O-N 2.81Å; E358-Q360 PolarHBondContact O-N 3.2Å
359	P	58.7	Low	78.4	Confident	80 Å²	80	80.7 Å²	80.7	52%	0.519	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-50.7	118.2	174.4	-24.9	33.3	0	0	0	109.5	T361	P359-T361 VanDerWaalsContact CB-O 3.22Å; P359-T361 WeakPolarHBondContact CB-O 3.4Å; P359-T361 PolarHBondContact O-N 3.02Å
360	Q	60.3	Low	78.4	Confident	162 Å²	162	77.1 Å²	77.1	76%	0.757	42%	0.415	S	S	*	.	S	Bend	trans	-61	-11	174.7	-69.4	-163.7	-22.5	0	0	113.2	E358	E358-Q360 PolarHBondContact O-N 3.2Å
361	T	61.3	Low	78.4	Confident	22 Å²	22	80.3 Å²	80.3	14%	0.135	43%	0.426	C	S	.	.	S	Bend	trans	-125.7	125.6	175.9	-3.8	0	0	0	0	106.9	I229 R233 P359 P363	I229-T361 HydrophobicContact CG2-CG2 4.12Å; R233-T361 HydrophobicContact CG-CG2 3.9Å; P359-T361 VanDerWaalsContact CB-O 3.22Å; P359-T361 WeakPolarHBondContact CB-O 3.4Å; P359-T361 PolarHBondContact O-N 3.02Å; T361-P363 WeakPolarHBondContact O-CD 3.21Å
362	S	59.2	Low	78.5	Confident	50 Å²	50	83.8 Å²	83.8	35%	0.35	43%	0.431	S	S	.	.			trans	-65	126.2	169.9	-175.2	0	0	0	0	107.6	D364 D365	S362-D364 PolarHBondContact O-N 3.29Å; S362-D364 VanDerWaalsContact O-N 3.12Å; S362-D364 WeakPolarHBondContact OG-CB 3.5Å; S362-D364 PolarHBondContact OG-N 2.78Å; S362-D364 PolarHBondContact OG-OD2 3.25Å; S362-D365 PolarHBondContact O-N 3.02Å
363	P	58.8	Low	78.8	Confident	52 Å²	52	83.4 Å²	83.4	34%	0.338	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-53.7	-28.9	170.1	-23.8	35.1	0	0	0	111.4	T361 D365 F366 R371	T361-P363 WeakPolarHBondContact O-CD 3.21Å; P363-D365 PolarHBondContact O-N 3.27Å; P363-D365 VanDerWaalsContact O-N 3.11Å; P363-F366 PolarHBondContact O-N 3.3Å; P363-F366 VanDerWaalsContact O-N 3.17Å; P363-R371 VanDerWaalsContact CB-CZ 3.43Å; P363-R371 VanDerWaalsContact CB-NH1 3.34Å; P363-R371 PolarHBondContact O-NE 2.85Å; P363-R371 PolarHBondContact O-NH2 3.41Å
364	D	66.8	Low	79.1	Confident	131 Å²	131	81 Å²	81	70%	0.701	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-67.7	-9.6	-174.7	-54.1	-28.9	0	0	0	114	S362 F366 R371	S362-D364 PolarHBondContact O-N 3.29Å; S362-D364 VanDerWaalsContact O-N 3.12Å; S362-D364 WeakPolarHBondContact OG-CB 3.5Å; S362-D364 PolarHBondContact OG-N 2.78Å; S362-D364 PolarHBondContact OG-OD2 3.25Å; D364-F366 PolarHBondContact O-N 3.02Å; D364-R371 IonicContact OD1-NH2 3.25Å
365	D	81.1	Confident	79.5	Confident	92 Å²	92	82.1 Å²	82.1	49%	0.492	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-71.6	-6.6	172.4	-64.3	-22.5	0	0	0	113.3	S362 P363	S362-D365 PolarHBondContact O-N 3.02Å; P363-D365 PolarHBondContact O-N 3.27Å; P363-D365 VanDerWaalsContact O-N 3.11Å
366	F	89.4	Confident	80.3	Confident	8 Å²	8	81.7 Å²	81.7	4%	0.035	42%	0.416	C	S	.	.	S	Bend	trans	-126.2	129.5	-179.4	-66.5	-96.1	0	0	0	110.6	I229 F232 L273 P363 D364 E370 R371 I374	I229-F366 HydrophobicContact CB-CE2 4.26Å; I229-F366 HydrophobicContact CD1-CD2 3.9Å; I229-F366 HydrophobicContact CD1-CE2 4.26Å; I229-F366 HydrophobicContact CD1-CG 4.16Å; I229-F366 HydrophobicContact CG1-CD2 4.16Å; I229-F366 HydrophobicContact CG1-CE1 4.48Å; I229-F366 HydrophobicContact CG1-CE2 4.06Å; I229-F366 HydrophobicContact CG1-CG 4.45Å; I229-F366 HydrophobicContact CG1-CZ 4.21Å; I229-F366 HydrophobicContact CG2-CD2 3.96Å; I229-F366 HydrophobicContact CG2-CE2 3.31Å; I229-F366 HydrophobicContact CG2-CZ 3.83Å; F232-F366 HydrophobicContact CD1-CE1 4.16Å; F232-F366 AromaticContact CD1-CZ 3.82Å; F232-F366 HydrophobicContact CD1-CZ 3.82Å; F232-F366 HydrophobicContact CE1-CE1 4.04Å; F232-F366 AromaticContact CE1-CZ 3.86Å; F232-F366 HydrophobicContact CE1-CZ 3.86Å; L273-F366 HydrophobicContact CD1-CE1 4.33Å; L273-F366 HydrophobicContact CD2-CD1 4.01Å; L273-F366 HydrophobicContact CD2-CE1 3.98Å; P363-F366 PolarHBondContact O-N 3.3Å; P363-F366 VanDerWaalsContact O-N 3.17Å; D364-F366 PolarHBondContact O-N 3.02Å; F366-E370 HydrophobicContact CB-CB 4.29Å; F366-E370 HydrophobicContact CD1-CB 4.18Å; F366-R371 HydrophobicContact CB-CG 4.01Å; F366-R371 PolarHBondContact O-NE 3.07Å; F366-R371 VanDerWaalsContact O-NE 3.11Å; F366-I374 HydrophobicContact CD1-CD1 4.15Å; F366-I374 HydrophobicContact CE1-CD1 4.36Å
367	S	92.7	Very high	81.7	Confident	40 Å²	40	79.5 Å²	79.5	28%	0.28	41%	0.406	S	S	.	.			trans	-59.9	156.6	174.4	59.6	0	0	0	0	111.9	E369 E370 R371	S367-E369 PolarHBondContact O-N 2.64Å; S367-E370 WeakPolarHBondContact CB-OE2 3.4Å; S367-E370 PolarHBondContact N-OE2 3.3Å; S367-E370 PolarHBondContact O-N 3.16Å; S367-E370 WeakPolarHBondContact OG-CB 3.43Å; S367-E370 WeakPolarHBondContact OG-CG 3.43Å; S367-E370 PolarHBondContact OG-N 3.24Å; S367-E370 VanDerWaalsContact OG-N 3.14Å; S367-E370 PolarHBondContact OG-OE2 2.89Å; S367-R371 WeakPolarHBondContact O-CG 3.19Å; S367-R371 PolarHBondContact O-N 3.49Å
368	P	92.3	Very high	83.3	Confident	98 Å²	98	76.4 Å²	76.4	64%	0.636	39%	0.391	S	S	*	.	H	α-helix	trans	-52.1	-38	171.3	-26.7	36	0	0	0	112.9	R371 R372	P368-R371 PolarHBondContact O-N 2.95Å; P368-R372 WeakPolarHBondContact O-CB 3.32Å; P368-R372 PolarHBondContact O-N 3.46Å
369	E	95.2	Very high	85.1	Confident	129 Å²	129	73.1 Å²	73.1	60%	0.603	38%	0.375	S	S	*	.	H	α-helix	trans	-65.8	-45.4	177.7	-68.2	69.7	-154	0	0	112.1	S367 R372 R373	S367-E369 PolarHBondContact O-N 2.64Å; E369-R372 WeakPolarHBondContact O-CB 3.23Å; E369-R372 PolarHBondContact O-N 3.3Å; E369-R373 WeakPolarHBondContact O-CG 3.38Å; E369-R373 PolarHBondContact O-N 2.99Å
370	E	95.5	Very high	87	Confident	58 Å²	58	69.8 Å²	69.8	27%	0.271	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-42.4	175.7	-73.4	168.2	120.4	0	0	111.7	L273 F366 S367 R372 R373 I374	L273-E370 HydrophobicContact CD2-CB 3.83Å; L273-E370 HydrophobicContact CD2-CG 3.73Å; F366-E370 HydrophobicContact CB-CB 4.29Å; F366-E370 HydrophobicContact CD1-CB 4.18Å; S367-E370 WeakPolarHBondContact CB-OE2 3.4Å; S367-E370 PolarHBondContact N-OE2 3.3Å; S367-E370 PolarHBondContact O-N 3.16Å; S367-E370 WeakPolarHBondContact OG-CB 3.43Å; S367-E370 WeakPolarHBondContact OG-CG 3.43Å; S367-E370 PolarHBondContact OG-N 3.24Å; S367-E370 VanDerWaalsContact OG-N 3.14Å; S367-E370 PolarHBondContact OG-OE2 2.89Å; E370-R372 VanDerWaalsContact C-N 3.29Å; E370-R372 PolarHBondContact O-N 3.41Å; E370-R373 PolarHBondContact O-N 3.3Å; E370-I374 VanDerWaalsContact O-CG1 3.27Å; E370-I374 WeakPolarHBondContact O-CG1 3.46Å; E370-I374 PolarHBondContact O-N 3.33Å
371	R	94.9	Very high	88.9	Confident	81 Å²	81	62.1 Å²	62.1	31%	0.306	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-38.6	176.1	-71.3	169.2	179.2	-127.2	34.6	111.9	P363 D364 F366 S367 P368 I374 A375	P363-R371 VanDerWaalsContact CB-CZ 3.43Å; P363-R371 VanDerWaalsContact CB-NH1 3.34Å; P363-R371 PolarHBondContact O-NE 2.85Å; P363-R371 PolarHBondContact O-NH2 3.41Å; D364-R371 IonicContact OD1-NH2 3.25Å; F366-R371 HydrophobicContact CB-CG 4.01Å; F366-R371 PolarHBondContact O-NE 3.07Å; F366-R371 VanDerWaalsContact O-NE 3.11Å; S367-R371 WeakPolarHBondContact O-CG 3.19Å; S367-R371 PolarHBondContact O-N 3.49Å; P368-R371 PolarHBondContact O-N 2.95Å; R371-I374 PolarHBondContact O-N 3.24Å; R371-A375 WeakPolarHBondContact O-CB 3.33Å; R371-A375 PolarHBondContact O-N 2.97Å
372	R	96.5	Very high	90.7	Very high	178 Å²	178	63.3 Å²	63.3	67%	0.672	32%	0.322	S	S	*	.	H	α-helix	trans	-62.7	-49.1	173.7	-175.6	-178.2	176.8	-167.2	1.1	111.2	P368 E369 E370 I374 A375 D376	P368-R372 WeakPolarHBondContact O-CB 3.32Å; P368-R372 PolarHBondContact O-N 3.46Å; E369-R372 WeakPolarHBondContact O-CB 3.23Å; E369-R372 PolarHBondContact O-N 3.3Å; E370-R372 VanDerWaalsContact C-N 3.29Å; E370-R372 PolarHBondContact O-N 3.41Å; R372-I374 VanDerWaalsContact C-N 3.26Å; R372-I374 PolarHBondContact O-N 3.5Å; R372-A375 WeakPolarHBondContact O-CB 3.29Å; R372-A375 PolarHBondContact O-N 3.5Å; R372-D376 PolarHBondContact O-N 3.35Å
373	R	97.6	Very high	92.6	Very high	99 Å²	99	65.2 Å²	65.2	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-57.8	-39.7	176.3	-71.1	174.1	60.3	-162.5	-3.1	112.3	D274 I277 E369 E370 D376 V377	D274-R373 IonicContact OD1-CZ 3.65Å; D274-R373 IonicContact OD1-NH1 3.92Å; D274-R373 PolarHBondContact OD1-NH1 3.17Å; D274-R373 IonicContact OD1-NH2 3.56Å; D274-R373 PolarHBondContact OD1-NH2 3.49Å; I277-R373 HydrophobicContact CD1-CB 4.32Å; E369-R373 WeakPolarHBondContact O-CG 3.38Å; E369-R373 PolarHBondContact O-N 2.99Å; E370-R373 PolarHBondContact O-N 3.3Å; R373-D376 PolarHBondContact O-N 3.33Å; R373-V377 PolarHBondContact O-N 3.15Å
374	I	97.5	Very high	94.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-47	174.7	-68.5	167.6	0	0	0	110.2	V225 F228 I229 L273 I277 F366 E370 R371 R372 D376 V377 N378	V225-I374 HydrophobicContact CB-CG2 4.3Å; V225-I374 HydrophobicContact CG1-CB 4.42Å; V225-I374 HydrophobicContact CG1-CG2 3.88Å; V225-I374 HydrophobicContact CG2-CG2 4.34Å; F228-I374 HydrophobicContact CB-CG2 3.68Å; F228-I374 HydrophobicContact CD1-CB 4.29Å; F228-I374 HydrophobicContact CD1-CD1 4.17Å; F228-I374 HydrophobicContact CD1-CG1 3.89Å; F228-I374 HydrophobicContact CD1-CG2 3.5Å; F228-I374 VanDerWaalsContact CD1-CG2 3.5Å; F228-I374 HydrophobicContact CE1-CG1 4Å; F228-I374 HydrophobicContact CE1-CG2 4.25Å; F228-I374 HydrophobicContact CG-CG2 3.7Å; I229-I374 HydrophobicContact CD1-CD1 4.21Å; I229-I374 HydrophobicContact CG1-CD1 3.71Å; L273-I374 HydrophobicContact CD1-CD1 4.1Å; L273-I374 HydrophobicContact CD1-CG1 4.23Å; L273-I374 HydrophobicContact CD2-CD1 4.33Å; I277-I374 HydrophobicContact CD1-CG1 4.16Å; F366-I374 HydrophobicContact CD1-CD1 4.15Å; F366-I374 HydrophobicContact CE1-CD1 4.36Å; E370-I374 VanDerWaalsContact O-CG1 3.27Å; E370-I374 WeakPolarHBondContact O-CG1 3.46Å; E370-I374 PolarHBondContact O-N 3.33Å; R371-I374 PolarHBondContact O-N 3.24Å; R372-I374 VanDerWaalsContact C-N 3.26Å; R372-I374 PolarHBondContact O-N 3.5Å; I374-D376 VanDerWaalsContact C-N 3.3Å; I374-D376 PolarHBondContact O-N 3.29Å; I374-V377 VanDerWaalsContact O-CG2 3.31Å; I374-V377 WeakPolarHBondContact O-CG2 3.48Å; I374-V377 PolarHBondContact O-N 3.07Å; I374-N378 WeakPolarHBondContact O-CB 2.99Å; I374-N378 PolarHBondContact O-N 3Å; I374-N378 VanDerWaalsContact O-N 3.15Å; I374-N378 PolarHBondContact O-ND2 3.44Å
375	A	97.8	Very high	96	Very high	27 Å²	27	57.1 Å²	57.1	22%	0.223	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-41.5	177.4	0	0	0	0	0	112	V225 R371 R372 V377 N378 Q379 I382	V225-A375 HydrophobicContact CG2-CB 3.94Å; R371-A375 WeakPolarHBondContact O-CB 3.33Å; R371-A375 PolarHBondContact O-N 2.97Å; R372-A375 WeakPolarHBondContact O-CB 3.29Å; R372-A375 PolarHBondContact O-N 3.5Å; A375-V377 VanDerWaalsContact C-N 3.31Å; A375-V377 PolarHBondContact O-N 3.37Å; A375-N378 CarbonylContact O-C 3.48Å; A375-N378 PolarHBondContact O-N 2.69Å; A375-Q379 PolarHBondContact O-N 2.71Å; A375-I382 HydrophobicContact CB-CD1 4.04Å
376	D	98.1	Very high	96.8	Very high	80 Å²	80	56.7 Å²	56.7	43%	0.428	28%	0.276	S	S	.	.	H	α-helix	trans	-59.8	-39.4	179.8	-68.4	-24.7	0	0	0	112.1	R372 R373 I374 N378 Q379	R372-D376 PolarHBondContact O-N 3.35Å; R373-D376 PolarHBondContact O-N 3.33Å; I374-D376 VanDerWaalsContact C-N 3.3Å; I374-D376 PolarHBondContact O-N 3.29Å; D376-N378 VanDerWaalsContact C-N 3.35Å; D376-Q379 WeakPolarHBondContact O-CG 3.34Å
377	V	97.8	Very high	97.3	Very high	46 Å²	46	58.7 Å²	58.7	28%	0.279	29%	0.285	S	S	.	.	H	α-helix	trans	-82.5	-10.7	175.8	-57.5	0	0	0	0	113.7	F228 I277 F285 R373 I374 A375	F228-V377 HydrophobicContact CE2-CG2 4.32Å; F228-V377 HydrophobicContact CZ-CG2 4.3Å; I277-V377 HydrophobicContact CG2-CG1 4.07Å; F285-V377 WeakPolarHBondContact CB-O 3.35Å; F285-V377 HydrophobicContact CD1-CB 3.69Å; F285-V377 HydrophobicContact CD1-CG2 3.59Å; F285-V377 HydrophobicContact CE1-CB 3.98Å; F285-V377 HydrophobicContact CE1-CG1 4.45Å; F285-V377 HydrophobicContact CE1-CG2 3.82Å; F285-V377 HydrophobicContact CG-CB 4.24Å; R373-V377 PolarHBondContact O-N 3.15Å; I374-V377 VanDerWaalsContact O-CG2 3.31Å; I374-V377 WeakPolarHBondContact O-CG2 3.48Å; I374-V377 PolarHBondContact O-N 3.07Å; A375-V377 VanDerWaalsContact C-N 3.31Å; A375-V377 PolarHBondContact O-N 3.37Å
378	N	98.2	Very high	97.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	17.6	-178	-73.4	-87.5	0	0	0	114.8	P224 R227 F228 A284 F285 I374 A375 D376 L380 D381 I382	P224-N378 HydrophobicContact CB-CB 4.33Å; R227-N378 PolarHBondContact NH2-OD1 3.46Å; F228-N378 WeakPolarHBondContact CD2-ND2 3.07Å; F228-N378 WeakPolarHBondContact CD2-OD1 3.42Å; F228-N378 WeakPolarHBondContact CG-ND2 3.37Å; A284-N378 PolarHBondContact O-OD1 3.42Å; A284-N378 VanDerWaalsContact O-OD1 3.12Å; F285-N378 VanDerWaalsContact O-CA 3.31Å; F285-N378 WeakPolarHBondContact O-CA 3.12Å; F285-N378 PolarHBondContact O-OD1 2.95Å; F285-N378 VanDerWaalsContact O-OD1 3.08Å; I374-N378 WeakPolarHBondContact O-CB 2.99Å; I374-N378 PolarHBondContact O-N 3Å; I374-N378 VanDerWaalsContact O-N 3.15Å; I374-N378 PolarHBondContact O-ND2 3.44Å; A375-N378 CarbonylContact O-C 3.48Å; A375-N378 PolarHBondContact O-N 2.69Å; D376-N378 VanDerWaalsContact C-N 3.35Å; N378-L380 VanDerWaalsContact C-N 3.3Å; N378-L380 PolarHBondContact O-N 3.34Å; N378-L380 VanDerWaalsContact O-N 3.17Å; N378-D381 PolarHBondContact O-N 2.85Å; N378-D381 VanDerWaalsContact O-N 3.07Å; N378-I382 WeakPolarHBondContact O-CG1 3.36Å; N378-I382 PolarHBondContact O-N 3.21Å
379	Q	98.4	Very high	97.9	Very high	102 Å²	102	56 Å²	56	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-51.6	-41.8	-175	-72.5	172.1	-0.7	0	0	114.6	A375 D376 I382 E383	A375-Q379 PolarHBondContact O-N 2.71Å; D376-Q379 WeakPolarHBondContact O-CG 3.34Å; Q379-I382 WeakPolarHBondContact O-CB 3.14Å; Q379-I382 PolarHBondContact O-N 3.14Å; Q379-E383 PolarHBondContact O-N 3.36Å
380	L	98.7	Very high	98	Very high	11 Å²	11	56.4 Å²	56.4	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-40.9	-179.7	-56.7	-172.2	0	0	0	112.2	N286 T289 R312 V316 N378 I382 E383 V384	N286-L380 HydrophobicContact CB-CB 4.12Å; N286-L380 HydrophobicContact CB-CD1 3.99Å; T289-L380 HydrophobicContact CG2-CB 4.33Å; T289-L380 VanDerWaalsContact OG1-C 3.31Å; T289-L380 PolarHBondContact OG1-O 3.47Å; T289-L380 VanDerWaalsContact OG1-O 3.05Å; R312-L380 HydrophobicContact CB-CD1 4.3Å; R312-L380 HydrophobicContact CB-CD2 3.98Å; R312-L380 HydrophobicContact CG-CD1 4.11Å; R312-L380 HydrophobicContact CG-CD2 4.29Å; V316-L380 HydrophobicContact CG2-CB 4.02Å; V316-L380 HydrophobicContact CG2-CD2 3.74Å; V316-L380 HydrophobicContact CG2-CG 4.32Å; N378-L380 VanDerWaalsContact C-N 3.3Å; N378-L380 PolarHBondContact O-N 3.34Å; N378-L380 VanDerWaalsContact O-N 3.17Å; L380-I382 VanDerWaalsContact C-N 3.3Å; L380-E383 PolarHBondContact O-N 2.93Å; L380-V384 WeakPolarHBondContact O-CG2 3.28Å; L380-V384 PolarHBondContact O-N 3.3Å
381	D	98.8	Very high	98.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-35.4	176.8	-86	10.1	0	0	0	110.3	P224 R227 N286 R287 Q288 T289 N378 Y385	P224-D381 HydrophobicContact CB-CB 3.74Å; P224-D381 VanDerWaalsContact CG-C 3.4Å; P224-D381 HydrophobicContact CG-CB 3.82Å; P224-D381 VanDerWaalsContact CG-O 3.32Å; P224-D381 WeakPolarHBondContact CG-O 3.34Å; R227-D381 IonicContact NH2-OD2 2.71Å; N286-D381 WeakPolarHBondContact CA-OD1 2.99Å; R287-D381 PolarHBondContact N-OD1 2.74Å; R287-D381 PolarHBondContact N-OD2 3.35Å; R287-D381 VanDerWaalsContact N-OD2 3.1Å; Q288-D381 VanDerWaalsContact N-CG 3.3Å; Q288-D381 PolarHBondContact N-OD1 3.27Å; Q288-D381 PolarHBondContact N-OD2 3.38Å; T289-D381 PolarHBondContact N-OD1 3.45Å; T289-D381 PolarHBondContact OG1-OD1 2.93Å; N378-D381 PolarHBondContact O-N 2.85Å; N378-D381 VanDerWaalsContact O-N 3.07Å; D381-Y385 WeakPolarHBondContact O-CB 3.18Å; D381-Y385 PolarHBondContact O-N 2.7Å
382	I	98.8	Very high	98.4	Very high	47 Å²	47	50.6 Å²	50.6	24%	0.241	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-47.9	174.5	-67	167.6	0	0	0	110.7	P224 A375 N378 Q379 L380 Y385 N386	P224-I382 HydrophobicContact CB-CG1 3.86Å; P224-I382 HydrophobicContact CG-CB 4.47Å; P224-I382 HydrophobicContact CG-CG1 3.91Å; A375-I382 HydrophobicContact CB-CD1 4.04Å; N378-I382 WeakPolarHBondContact O-CG1 3.36Å; N378-I382 PolarHBondContact O-N 3.21Å; Q379-I382 WeakPolarHBondContact O-CB 3.14Å; Q379-I382 PolarHBondContact O-N 3.14Å; L380-I382 VanDerWaalsContact C-N 3.3Å; I382-Y385 PolarHBondContact O-N 3.01Å; I382-N386 WeakPolarHBondContact O-CB 3.16Å; I382-N386 VanDerWaalsContact O-CG 3.24Å; I382-N386 PolarHBondContact O-N 3.04Å; I382-N386 PolarHBondContact O-ND2 3.34Å
383	E	98.8	Very high	98.5	Very high	90 Å²	90	45.1 Å²	45.1	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-47	178.7	-166.3	-173.3	145.5	0	0	112.1	V316 K320 Q379 L380 N386 F387	V316-E383 HydrophobicContact CG1-CG 4.21Å; V316-E383 VanDerWaalsContact CG1-OE1 3.24Å; V316-E383 WeakPolarHBondContact CG1-OE1 3.44Å; K320-E383 IonicContact NZ-OE1 2.87Å; K320-E383 PolarHBondContact NZ-OE1 2.98Å; Q379-E383 PolarHBondContact O-N 3.36Å; L380-E383 PolarHBondContact O-N 2.93Å; E383-N386 PolarHBondContact O-N 3.28Å; E383-F387 PolarHBondContact O-N 3.11Å
384	V	98.9	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.8	-39.9	178.6	170.6	0	0	0	0	111.6	T289 L292 V316 A319 L323 L380 F387 A388	T289-V384 HydrophobicContact CG2-CG2 4.06Å; T289-V384 VanDerWaalsContact OG1-CG2 3.24Å; T289-V384 WeakPolarHBondContact OG1-CG2 3.45Å; L292-V384 HydrophobicContact CD1-CG1 4Å; V316-V384 HydrophobicContact CB-CG2 4.35Å; V316-V384 HydrophobicContact CG1-CG2 3.88Å; V316-V384 HydrophobicContact CG2-CG2 4.24Å; A319-V384 HydrophobicContact CB-CG1 4.26Å; A319-V384 HydrophobicContact CB-CG2 3.96Å; L323-V384 HydrophobicContact CD1-CG1 3.8Å; L380-V384 WeakPolarHBondContact O-CG2 3.28Å; L380-V384 PolarHBondContact O-N 3.3Å; V384-F387 PolarHBondContact O-N 2.74Å; V384-A388 WeakPolarHBondContact O-CB 3.37Å; V384-A388 PolarHBondContact O-N 2.81Å
385	Y	98.9	Very high	98.5	Very high	13 Å²	13	48.2 Å²	48.2	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-40.8	178.8	-179.6	-96.7	0	0	0	112.2	L221 R222 E223 P224 L331 E333 D381 I382 F387 A388 K389	L221-Y385 HydrophobicContact CB-CD2 4.08Å; L221-Y385 HydrophobicContact CB-CE2 4.3Å; R222-Y385 VanDerWaalsContact C-CD2 3.5Å; R222-Y385 VanDerWaalsContact O-CD2 3.26Å; R222-Y385 WeakPolarHBondContact O-CD2 3.29Å; R222-Y385 WeakPolarHBondContact O-CE2 3.32Å; E223-Y385 HydrophobicContact CB-CE1 4.19Å; E223-Y385 HydrophobicContact CG-CE1 4.4Å; E223-Y385 VanDerWaalsContact N-CE2 3.32Å; P224-Y385 HydrophobicContact CG-CG 4.24Å; L331-Y385 HydrophobicContact CD2-CE2 3.98Å; E333-Y385 PolarHBondContact OE2-OH 3.26Å; D381-Y385 WeakPolarHBondContact O-CB 3.18Å; D381-Y385 PolarHBondContact O-N 2.7Å; I382-Y385 PolarHBondContact O-N 3.01Å; Y385-F387 PolarHBondContact O-N 3.05Å; Y385-A388 PolarHBondContact O-N 3.25Å; Y385-K389 HydrophobicContact CE1-CD 4.48Å; Y385-K389 WeakPolarHBondContact O-CB 3.35Å; Y385-K389 PolarHBondContact O-N 2.03Å
386	N	98.8	Very high	98.5	Very high	83 Å²	83	47.8 Å²	47.8	44%	0.444	22%	0.224	S	C	.	.	H	α-helix	trans	-60.5	-46.1	175.5	-74.1	-20.2	0	0	0	111.2	I382 E383 A388 K389 E390	I382-N386 WeakPolarHBondContact O-CB 3.16Å; I382-N386 VanDerWaalsContact O-CG 3.24Å; I382-N386 PolarHBondContact O-N 3.04Å; I382-N386 PolarHBondContact O-ND2 3.34Å; E383-N386 PolarHBondContact O-N 3.28Å; N386-A388 PolarHBondContact O-N 3.15Å; N386-K389 PolarHBondContact O-N 3.26Å; N386-E390 PolarHBondContact O-N 2.91Å; N386-E390 VanDerWaalsContact O-N 3.13Å
387	F	98.9	Very high	98.5	Very high	51 Å²	51	47.8 Å²	47.8	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-46.9	172.7	172.8	-96.1	0	0	0	112.2	K320 L323 M324 E383 V384 Y385 K389 E390 V391	K320-F387 HydrophobicContact CB-CD1 3.9Å; K320-F387 HydrophobicContact CB-CE1 3.72Å; K320-F387 HydrophobicContact CB-CG 4.42Å; K320-F387 HydrophobicContact CB-CZ 4.1Å; K320-F387 HydrophobicContact CD-CB 4.32Å; K320-F387 HydrophobicContact CD-CD1 4.33Å; K320-F387 HydrophobicContact CD-CD2 4.23Å; K320-F387 HydrophobicContact CD-CG 4.03Å; K320-F387 HydrophobicContact CG-CB 4.23Å; K320-F387 HydrophobicContact CG-CD1 3.58Å; K320-F387 HydrophobicContact CG-CD2 4.35Å; K320-F387 HydrophobicContact CG-CE1 3.96Å; K320-F387 HydrophobicContact CG-CG 3.78Å; K320-F387 HydrophobicContact CG-CZ 4.49Å; L323-F387 HydrophobicContact CB-CE1 4.42Å; L323-F387 HydrophobicContact CD1-CD1 4.21Å; M324-F387 HydrophobicContact CG-CE1 4.25Å; M324-F387 HydrophobicContact CG-CZ 3.88Å; M324-F387 HydrophobicContact SD-CE1 4.28Å; M324-F387 HydrophobicContact SD-CZ 3.86Å; E383-F387 PolarHBondContact O-N 3.11Å; V384-F387 PolarHBondContact O-N 2.74Å; Y385-F387 PolarHBondContact O-N 3.05Å; F387-K389 VanDerWaalsContact C-N 3.26Å; F387-K389 PolarHBondContact O-N 2.02Å; F387-E390 PolarHBondContact O-N 3.17Å; F387-V391 HydrophobicContact CD1-CG2 4.29Å; F387-V391 HydrophobicContact CD2-CG2 4.43Å; F387-V391 HydrophobicContact CE1-CG2 3.84Å; F387-V391 HydrophobicContact CE2-CG2 3.99Å; F387-V391 HydrophobicContact CZ-CG2 3.67Å; F387-V391 WeakPolarHBondContact O-CG2 3.42Å; F387-V391 PolarHBondContact O-N 3.44Å
388	A	98.9	Very high	98.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-40	178.3	0	0	0	0	0	111.5	L221 L323 F329 V384 Y385 N386 V391 F392	L221-A388 HydrophobicContact CD1-CB 4.23Å; L221-A388 HydrophobicContact CD2-CB 3.9Å; L323-A388 HydrophobicContact CD1-CB 3.9Å; F329-A388 HydrophobicContact CE2-CB 3.91Å; F329-A388 VanDerWaalsContact CE2-O 3.26Å; F329-A388 WeakPolarHBondContact CE2-O 3.45Å; F329-A388 HydrophobicContact CZ-CB 4.33Å; V384-A388 WeakPolarHBondContact O-CB 3.37Å; V384-A388 PolarHBondContact O-N 2.81Å; Y385-A388 PolarHBondContact O-N 3.25Å; N386-A388 PolarHBondContact O-N 3.15Å; A388-V391 PolarHBondContact O-N 3.36Å; A388-F392 VanDerWaalsContact O-CB 3.23Å; A388-F392 WeakPolarHBondContact O-CB 3.36Å; A388-F392 PolarHBondContact O-N 2.9Å
389	K	98.7	Very high	98.2	Very high	82 Å²	82	49.8 Å²	49.8	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-44.1	178.5	-173.2	173.6	178.8	179.9	0	112.3	L331 Y385 N386 F387 F392 H393	L331-K389 HydrophobicContact CD1-CB 4.27Å; L331-K389 HydrophobicContact CD1-CG 4.06Å; Y385-K389 HydrophobicContact CE1-CD 4.48Å; Y385-K389 WeakPolarHBondContact O-CB 3.35Å; Y385-K389 PolarHBondContact O-N 2.03Å; N386-K389 PolarHBondContact O-N 3.26Å; F387-K389 VanDerWaalsContact C-N 3.26Å; F387-K389 PolarHBondContact O-N 2.02Å; K389-F392 PolarHBondContact O-N 2.63Å; K389-H393 VanDerWaalsContact CE-NE2 3.32Å; K389-H393 WeakPolarHBondContact CE-NE2 3.26Å; K389-H393 WeakPolarHBondContact CG-NE2 3.48Å; K389-H393 PolarHBondContact O-CD2 3.05Å; K389-H393 PolarHBondContact O-N 2.76Å
390	E	98.7	Very high	98	Very high	137 Å²	137	49.5 Å²	49.5	64%	0.64	23%	0.225	S	C	*	.	H	α-helix	trans	-60.3	-47.6	174.6	-69.9	175	-169.6	0	0	112	N386 F387 H393 R394	N386-E390 PolarHBondContact O-N 2.91Å; N386-E390 VanDerWaalsContact O-N 3.13Å; F387-E390 PolarHBondContact O-N 3.17Å; E390-H393 PolarHBondContact O-N 2.79Å; E390-R394 PolarHBondContact O-N 3.05Å
391	V	98.7	Very high	97.8	Very high	16 Å²	16	53 Å²	53	10%	0.097	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-43.8	177.8	173.2	0	0	0	0	110.9	M324 F329 F387 A388 H393 R394 R395	M324-V391 HydrophobicContact SD-CB 4.38Å; M324-V391 HydrophobicContact SD-CG1 3.74Å; M324-V391 HydrophobicContact SD-CG2 3.65Å; F329-V391 HydrophobicContact CE1-CG1 3.97Å; F329-V391 HydrophobicContact CZ-CB 3.92Å; F329-V391 HydrophobicContact CZ-CG1 3.65Å; F387-V391 HydrophobicContact CD1-CG2 4.29Å; F387-V391 HydrophobicContact CD2-CG2 4.43Å; F387-V391 HydrophobicContact CE1-CG2 3.84Å; F387-V391 HydrophobicContact CE2-CG2 3.99Å; F387-V391 HydrophobicContact CZ-CG2 3.67Å; F387-V391 WeakPolarHBondContact O-CG2 3.42Å; F387-V391 PolarHBondContact O-N 3.44Å; A388-V391 PolarHBondContact O-N 3.36Å; V391-H393 PolarHBondContact O-N 3.1Å; V391-R394 PolarHBondContact O-N 3.31Å; V391-R395 HydrophobicContact CG1-CG 4.31Å; V391-R395 VanDerWaalsContact O-CG 3.32Å; V391-R395 WeakPolarHBondContact O-CG 3.36Å; V391-R395 PolarHBondContact O-N 3.47Å
392	F	98.8	Very high	97.5	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-49.7	177	177.1	-97.6	0	0	0	111.4	F329 L331 E334 K337 L341 A388 K389 R394 R395 F396	F329-F392 HydrophobicContact CE2-CB 3.9Å; F329-F392 WeakPolarHBondContact O-CD2 3.46Å; L331-F392 HydrophobicContact CD1-CB 3.99Å; L331-F392 HydrophobicContact CD1-CD1 3.57Å; L331-F392 HydrophobicContact CD1-CD2 4.49Å; L331-F392 HydrophobicContact CD1-CE1 4.15Å; L331-F392 HydrophobicContact CD1-CG 3.77Å; L331-F392 HydrophobicContact CG-CB 4.26Å; L331-F392 HydrophobicContact CG-CD1 4.04Å; L331-F392 HydrophobicContact CG-CD2 4.12Å; L331-F392 HydrophobicContact CG-CE1 4.42Å; L331-F392 HydrophobicContact CG-CE2 4.5Å; L331-F392 HydrophobicContact CG-CG 3.87Å; E334-F392 HydrophobicContact CB-CE1 4.18Å; E334-F392 HydrophobicContact CB-CZ 4.48Å; K337-F392 HydrophobicContact CB-CE1 4.08Å; K337-F392 HydrophobicContact CB-CZ 3.9Å; L341-F392 HydrophobicContact CD2-CD2 3.79Å; L341-F392 HydrophobicContact CD2-CE2 3.71Å; A388-F392 VanDerWaalsContact O-CB 3.23Å; A388-F392 WeakPolarHBondContact O-CB 3.36Å; A388-F392 PolarHBondContact O-N 2.9Å; K389-F392 PolarHBondContact O-N 2.63Å; F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 PolarHBondContact O-N 3.15Å; F392-R395 PolarHBondContact O-N 2.72Å; F392-F396 VanDerWaalsContact O-CB 3.31Å; F392-F396 WeakPolarHBondContact O-CB 3.45Å; F392-F396 PolarHBondContact O-N 3.39Å
393	H	98.6	Very high	97.2	Very high	63 Å²	63	54.9 Å²	54.9	29%	0.292	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-38.6	178.5	-71	-46.9	0	0	0	112.5	E334 K389 E390 V391 F396 E397	E334-H393 IonicContact OE1-CE1 3.31Å; E334-H393 PolarHBondContact OE1-CE1 3.4Å; E334-H393 IonicContact OE1-NE2 3.46Å; E334-H393 PolarHBondContact OE1-NE2 3.12Å; E334-H393 IonicContact OE2-CE1 3.76Å; E334-H393 PolarHBondContact OE2-CE1 2.9Å; E334-H393 VanDerWaalsContact OE2-CE1 3.23Å; E334-H393 IonicContact OE2-ND1 2.72Å; K389-H393 VanDerWaalsContact CE-NE2 3.32Å; K389-H393 WeakPolarHBondContact CE-NE2 3.26Å; K389-H393 WeakPolarHBondContact CG-NE2 3.48Å; K389-H393 PolarHBondContact O-CD2 3.05Å; K389-H393 PolarHBondContact O-N 2.76Å; E390-H393 PolarHBondContact O-N 2.79Å; V391-H393 PolarHBondContact O-N 3.1Å; H393-F396 PolarHBondContact O-N 2.99Å; H393-E397 WeakPolarHBondContact O-CB 3.41Å; H393-E397 PolarHBondContact O-N 2.92Å
394	R	98.3	Very high	96.9	Very high	160 Å²	160	56.7 Å²	56.7	60%	0.604	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-47.5	174.1	-176.9	-177.4	-72	-169.1	-2.2	111.6	E390 V391 F392 F396 E397 L398	E390-R394 PolarHBondContact O-N 3.05Å; V391-R394 PolarHBondContact O-N 3.31Å; F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 PolarHBondContact O-N 3.15Å; R394-F396 VanDerWaalsContact C-N 3.35Å; R394-E397 PolarHBondContact O-N 2.77Å; R394-L398 HydrophobicContact CG-CD1 4.45Å; R394-L398 WeakPolarHBondContact O-CG 3.4Å; R394-L398 PolarHBondContact O-N 3.41Å
395	R	97.9	Very high	96.6	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-41.2	178.3	-69.2	-178.4	173.7	-178.7	-5.4	111.6	F101 E102 M324 M326 F329 L341 V391 F392 L398 A399	F101-R395 VanDerWaalsContact CB-CZ 3.44Å; F101-R395 HydrophobicContact CD1-CB 4.36Å; F101-R395 HydrophobicContact CD1-CG 3.63Å; F101-R395 HydrophobicContact CD2-CG 4.35Å; F101-R395 HydrophobicContact CE1-CB 3.91Å; F101-R395 HydrophobicContact CE1-CG 3.58Å; F101-R395 HydrophobicContact CE2-CB 4.06Å; F101-R395 HydrophobicContact CE2-CG 4.3Å; F101-R395 HydrophobicContact CG-CG 4.03Å; F101-R395 HydrophobicContact CZ-CB 3.74Å; F101-R395 HydrophobicContact CZ-CG 3.93Å; E102-R395 IonicContact OE1-CZ 2.8Å; E102-R395 IonicContact OE1-NE 2.76Å; E102-R395 PolarHBondContact OE1-NE 2.91Å; E102-R395 IonicContact OE1-NH2 3.85Å; E102-R395 PolarHBondContact OE1-NH2 3.33Å; E102-R395 IonicContact OE2-NH2 3.23Å; E102-R395 PolarHBondContact OE2-NH2 2.86Å; M324-R395 PolarHBondContact O-NH2 2.87Å; M326-R395 PolarHBondContact O-NH1 3.47Å; F329-R395 VanDerWaalsContact CE1-NH1 3.34Å; L341-R395 HydrophobicContact CD1-CB 4.17Å; L341-R395 HydrophobicContact CD2-CB 4.03Å; V391-R395 HydrophobicContact CG1-CG 4.31Å; V391-R395 VanDerWaalsContact O-CG 3.32Å; V391-R395 WeakPolarHBondContact O-CG 3.36Å; V391-R395 PolarHBondContact O-N 3.47Å; F392-R395 PolarHBondContact O-N 2.72Å; R395-L398 PolarHBondContact O-N 2.77Å; R395-A399 WeakPolarHBondContact O-CB 3.35Å; R395-A399 PolarHBondContact O-N 3.22Å
396	F	97.6	Very high	96.3	Very high	17 Å²	17	62.5 Å²	62.5	8%	0.075	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-46.8	173.4	179.6	-92.2	0	0	0	111.6	K337 Y340 F392 H393 R394 L398 A399 R400 F406 M410	K337-F396 HydrophobicContact CB-CD2 3.79Å; K337-F396 HydrophobicContact CB-CE2 3.63Å; K337-F396 HydrophobicContact CB-CZ 4.36Å; K337-F396 HydrophobicContact CD-CD2 4.41Å; K337-F396 HydrophobicContact CD-CE1 4.38Å; K337-F396 HydrophobicContact CD-CE2 4.17Å; K337-F396 HydrophobicContact CD-CZ 4.16Å; K337-F396 HydrophobicContact CG-CD2 4.09Å; K337-F396 HydrophobicContact CG-CE1 4.48Å; K337-F396 HydrophobicContact CG-CE2 3.55Å; K337-F396 HydrophobicContact CG-CZ 3.78Å; Y340-F396 AromaticContact CD1-CD2 3.88Å; Y340-F396 HydrophobicContact CD1-CD2 3.88Å; Y340-F396 AromaticContact CD1-CE2 3.48Å; Y340-F396 HydrophobicContact CD1-CE2 3.48Å; Y340-F396 VanDerWaalsContact CD1-CE2 3.48Å; Y340-F396 HydrophobicContact CD1-CZ 4.35Å; Y340-F396 HydrophobicContact CE1-CD2 4.45Å; Y340-F396 HydrophobicContact CE1-CE2 4.12Å; Y340-F396 HydrophobicContact CG-CE2 4.21Å; F392-F396 VanDerWaalsContact O-CB 3.31Å; F392-F396 WeakPolarHBondContact O-CB 3.45Å; F392-F396 PolarHBondContact O-N 3.39Å; H393-F396 PolarHBondContact O-N 2.99Å; R394-F396 VanDerWaalsContact C-N 3.35Å; F396-L398 PolarHBondContact O-N 3.4Å; F396-A399 CarbonylContact O-C 3.54Å; F396-A399 PolarHBondContact O-N 2.61Å; F396-R400 HydrophobicContact CE1-CB 4.43Å; F396-R400 WeakPolarHBondContact O-CB 3.33Å; F396-R400 PolarHBondContact O-N 3.24Å; F396-F406 HydrophobicContact CE1-CZ 4.44Å; F396-F406 HydrophobicContact CE2-CE2 4.41Å; F396-F406 AromaticContact CZ-CE2 3.79Å; F396-F406 HydrophobicContact CZ-CE2 3.79Å; F396-F406 AromaticContact CZ-CZ 3.87Å; F396-F406 HydrophobicContact CZ-CZ 3.87Å; F396-M410 HydrophobicContact CE2-SD 4.44Å
397	E	97.3	Very high	95.9	Very high	80 Å²	80	65.3 Å²	65.3	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-41	180	-176.2	54.4	-150.2	0	0	111.8	H393 R394 A399 R400 S401	H393-E397 WeakPolarHBondContact O-CB 3.41Å; H393-E397 PolarHBondContact O-N 2.92Å; R394-E397 PolarHBondContact O-N 2.77Å; E397-A399 PolarHBondContact O-N 3.02Å; E397-R400 PolarHBondContact O-N 3.26Å; E397-R400 IonicContact OE1-CZ 3.27Å; E397-R400 IonicContact OE1-NE 3.74Å; E397-R400 PolarHBondContact OE1-NE 3.05Å; E397-R400 IonicContact OE1-NH2 3.54Å; E397-R400 PolarHBondContact OE1-NH2 2.69Å; E397-R400 IonicContact OE2-CZ 2.82Å; E397-R400 IonicContact OE2-NE 2.75Å; E397-R400 PolarHBondContact OE2-NE 3.1Å; E397-R400 IonicContact OE2-NH2 3.5Å; E397-R400 PolarHBondContact OE2-NH2 2.81Å; E397-S401 WeakPolarHBondContact O-CB 3.31Å; E397-S401 PolarHBondContact O-N 3.36Å; E397-S401 PolarHBondContact O-OG 3.22Å
398	L	95.2	Very high	95.5	Very high	86 Å²	86	67.1 Å²	67.1	45%	0.45	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-43.8	172.9	-70.6	170.1	0	0	0	112.3	F101 R394 R395 F396 R400 S401 S402	F101-L398 HydrophobicContact CE1-CD1 4.25Å; R394-L398 HydrophobicContact CG-CD1 4.45Å; R394-L398 WeakPolarHBondContact O-CG 3.4Å; R394-L398 PolarHBondContact O-N 3.41Å; R395-L398 PolarHBondContact O-N 2.77Å; F396-L398 PolarHBondContact O-N 3.4Å; L398-R400 VanDerWaalsContact C-N 3.31Å; L398-S401 PolarHBondContact O-OG 3.03Å; L398-S402 WeakPolarHBondContact O-CB 3.28Å; L398-S402 PolarHBondContact O-N 3.06Å; L398-S402 PolarHBondContact O-OG 3.02Å
399	A	94	Very high	95	Very high	3 Å²	3	68 Å²	68	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-68.3	-31.3	176.9	0	0	0	0	0	112.4	Y340 L341 K344 R395 F396 E397 S402 D403	Y340-A399 HydrophobicContact CE1-CB 3.94Å; Y340-A399 PolarHBondContact OH-O 3.05Å; L341-A399 HydrophobicContact CD1-CB 3.94Å; K344-A399 HydrophobicContact CB-CB 4.16Å; K344-A399 HydrophobicContact CG-CB 4.4Å; R395-A399 WeakPolarHBondContact O-CB 3.35Å; R395-A399 PolarHBondContact O-N 3.22Å; F396-A399 CarbonylContact O-C 3.54Å; F396-A399 PolarHBondContact O-N 2.61Å; E397-A399 PolarHBondContact O-N 3.02Å; A399-S402 PolarHBondContact O-OG 3.36Å; A399-D403 WeakPolarHBondContact O-CB 3.34Å
400	R	95.1	Very high	94.5	Very high	95 Å²	95	66 Å²	66	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-73.2	-50.8	176.5	-173.8	-171.6	79.1	81.3	3.2	111.4	F396 E397 L398 S402 D403 F406	F396-R400 HydrophobicContact CE1-CB 4.43Å; F396-R400 WeakPolarHBondContact O-CB 3.33Å; F396-R400 PolarHBondContact O-N 3.24Å; E397-R400 PolarHBondContact O-N 3.26Å; E397-R400 IonicContact OE1-CZ 3.27Å; E397-R400 IonicContact OE1-NE 3.74Å; E397-R400 PolarHBondContact OE1-NE 3.05Å; E397-R400 IonicContact OE1-NH2 3.54Å; E397-R400 PolarHBondContact OE1-NH2 2.69Å; E397-R400 IonicContact OE2-CZ 2.82Å; E397-R400 IonicContact OE2-NE 2.75Å; E397-R400 PolarHBondContact OE2-NE 3.1Å; E397-R400 IonicContact OE2-NH2 3.5Å; E397-R400 PolarHBondContact OE2-NH2 2.81Å; L398-R400 VanDerWaalsContact C-N 3.31Å; R400-S402 PolarHBondContact O-N 3.27Å; R400-D403 PolarHBondContact O-N 3.24Å; R400-F406 HydrophobicContact CB-CD2 4.23Å; R400-F406 HydrophobicContact CB-CE2 4.29Å; R400-F406 HydrophobicContact CG-CB 4.46Å; R400-F406 HydrophobicContact CG-CD1 3.82Å; R400-F406 HydrophobicContact CG-CD2 3.65Å; R400-F406 HydrophobicContact CG-CE1 3.92Å; R400-F406 HydrophobicContact CG-CE2 3.74Å; R400-F406 HydrophobicContact CG-CG 3.68Å; R400-F406 HydrophobicContact CG-CZ 3.87Å
401	S	94.7	Very high	93.6	Very high	84 Å²	84	63.2 Å²	63.2	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-66.1	-24.3	-175.7	65.8	0	0	0	0	113.1	E397 L398	E397-S401 WeakPolarHBondContact O-CB 3.31Å; E397-S401 PolarHBondContact O-N 3.36Å; E397-S401 PolarHBondContact O-OG 3.22Å; L398-S401 PolarHBondContact O-OG 3.03Å
402	S	91.3	Very high	92.1	Very high	74 Å²	74	66.3 Å²	66.3	52%	0.517	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.8	176.1	56.8	0	0	0	0	113.9	L398 A399 R400 P404	L398-S402 WeakPolarHBondContact O-CB 3.28Å; L398-S402 PolarHBondContact O-N 3.06Å; L398-S402 PolarHBondContact O-OG 3.02Å; A399-S402 PolarHBondContact O-OG 3.36Å; R400-S402 PolarHBondContact O-N 3.27Å; S402-P404 WeakPolarHBondContact O-CD 3.45Å
403	D	93	Very high	91.8	Very high	14 Å²	14	69.6 Å²	69.6	8%	0.075	38%	0.376	C	S	.	.			trans	-109.6	102.6	-176.7	-168.3	-3.9	0	0	0	112.8	Y340 K344 A399 R400 L405 F406 N409	Y340-D403 VanDerWaalsContact OH-CB 3.24Å; Y340-D403 WeakPolarHBondContact OH-CB 3.02Å; Y340-D403 PolarHBondContact OH-OD2 3.18Å; K344-D403 WeakPolarHBondContact CE-OD2 3.45Å; K344-D403 IonicContact NZ-OD1 3.48Å; K344-D403 IonicContact NZ-OD2 3.01Å; K344-D403 PolarHBondContact NZ-OD2 3.38Å; A399-D403 WeakPolarHBondContact O-CB 3.34Å; R400-D403 PolarHBondContact O-N 3.24Å; D403-L405 PolarHBondContact O-N 3.14Å; D403-L405 WeakPolarHBondContact OD1-CA 3.42Å; D403-L405 PolarHBondContact OD1-N 3.11Å; D403-F406 HydrophobicContact CB-CB 4.23Å; D403-F406 WeakPolarHBondContact O-CB 3.38Å; D403-F406 PolarHBondContact O-N 2.94Å; D403-F406 PolarHBondContact OD1-N 3.21Å; D403-N409 PolarHBondContact OD1-ND2 2.87Å; D403-N409 PolarHBondContact OD2-ND2 3.35Å
404	P	93	Very high	91.4	Very high	128 Å²	128	69.9 Å²	69.9	83%	0.831	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.4	176.6	28.6	-34.9	0	0	0	113.5	S402	S402-P404 WeakPolarHBondContact O-CD 3.45Å
405	L	92.5	Very high	91.1	Very high	108 Å²	108	64.9 Å²	64.9	57%	0.565	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	23	178	-61.3	178.5	0	0	0	112	D403 E407 V408 N409	D403-L405 PolarHBondContact O-N 3.14Å; D403-L405 WeakPolarHBondContact OD1-CA 3.42Å; D403-L405 PolarHBondContact OD1-N 3.11Å; L405-E407 PolarHBondContact O-N 3.27Å; L405-V408 PolarHBondContact O-N 3.43Å; L405-V408 VanDerWaalsContact O-N 3.07Å; L405-N409 PolarHBondContact O-N 2.97Å; L405-N409 PolarHBondContact O-ND2 3.36Å
406	F	93.1	Very high	90.7	Very high	27 Å²	27	68.5 Å²	68.5	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-47.3	-53.1	-176.6	169.2	-110.7	0	0	0	113.4	Y340 F396 R400 D403 V408 N409 M410	Y340-F406 HydrophobicContact CD1-CE2 4.36Å; Y340-F406 HydrophobicContact CD2-CD2 4.4Å; Y340-F406 HydrophobicContact CD2-CE2 4.39Å; Y340-F406 HydrophobicContact CE1-CD2 4.06Å; Y340-F406 HydrophobicContact CE1-CE2 4.03Å; Y340-F406 AromaticContact CE2-CD2 3.67Å; Y340-F406 HydrophobicContact CE2-CD2 3.67Å; Y340-F406 HydrophobicContact CE2-CE2 4.07Å; Y340-F406 AromaticContact CZ-CD2 3.49Å; Y340-F406 VanDerWaalsContact CZ-CD2 3.49Å; Y340-F406 AromaticContact CZ-CE2 3.89Å; F396-F406 HydrophobicContact CE1-CZ 4.44Å; F396-F406 HydrophobicContact CE2-CE2 4.41Å; F396-F406 AromaticContact CZ-CE2 3.79Å; F396-F406 HydrophobicContact CZ-CE2 3.79Å; F396-F406 AromaticContact CZ-CZ 3.87Å; F396-F406 HydrophobicContact CZ-CZ 3.87Å; R400-F406 HydrophobicContact CB-CD2 4.23Å; R400-F406 HydrophobicContact CB-CE2 4.29Å; R400-F406 HydrophobicContact CG-CB 4.46Å; R400-F406 HydrophobicContact CG-CD1 3.82Å; R400-F406 HydrophobicContact CG-CD2 3.65Å; R400-F406 HydrophobicContact CG-CE1 3.92Å; R400-F406 HydrophobicContact CG-CE2 3.74Å; R400-F406 HydrophobicContact CG-CG 3.68Å; R400-F406 HydrophobicContact CG-CZ 3.87Å; D403-F406 HydrophobicContact CB-CB 4.23Å; D403-F406 WeakPolarHBondContact O-CB 3.38Å; D403-F406 PolarHBondContact O-N 2.94Å; D403-F406 PolarHBondContact OD1-N 3.21Å; F406-V408 PolarHBondContact O-N 3.46Å; F406-N409 PolarHBondContact O-N 3.41Å; F406-N409 VanDerWaalsContact O-N 3.14Å; F406-M410 HydrophobicContact CD2-CB 4.24Å; F406-M410 HydrophobicContact CE2-CB 3.82Å; F406-M410 HydrophobicContact CE2-CG 4Å; F406-M410 HydrophobicContact CE2-SD 4.29Å; F406-M410 HydrophobicContact CZ-CB 3.99Å; F406-M410 HydrophobicContact CZ-CG 3.88Å; F406-M410 HydrophobicContact CZ-SD 4.5Å; F406-M410 VanDerWaalsContact O-CB 3.24Å; F406-M410 WeakPolarHBondContact O-CB 3.42Å; F406-M410 PolarHBondContact O-N 3.5Å
407	E	90.6	Very high	90.2	Very high	142 Å²	142	71.7 Å²	71.7	66%	0.664	41%	0.409	S	S	*	.	H	α-helix	trans	-59.3	-36.1	-176.8	-63.9	-59	151.4	0	0	112.4	L405 A411	L405-E407 PolarHBondContact O-N 3.27Å; E407-A411 WeakPolarHBondContact O-CB 3.43Å; E407-A411 PolarHBondContact O-N 3.38Å; E407-A411 VanDerWaalsContact O-N 3.14Å
408	V	88.5	Confident	89.8	Confident	88 Å²	88	71.1 Å²	71.1	53%	0.533	41%	0.411	S	S	.	.	H	α-helix	trans	-71.1	-48.5	176.8	-179.9	0	0	0	0	110.2	L405 F406 M410 A411 T412	L405-V408 PolarHBondContact O-N 3.43Å; L405-V408 VanDerWaalsContact O-N 3.07Å; F406-V408 PolarHBondContact O-N 3.46Å; V408-M410 VanDerWaalsContact C-N 3.3Å; V408-M410 PolarHBondContact O-N 3.5Å; V408-A411 PolarHBondContact O-N 3.29Å; V408-T412 PolarHBondContact O-N 3.15Å; V408-T412 PolarHBondContact O-OG1 3.01Å
409	N	88.4	Confident	89.4	Confident	18 Å²	18	70.1 Å²	70.1	10%	0.096	41%	0.408	C	S	.	.	H	α-helix	trans	-68.4	-29.1	-177.6	-67.6	-30.4	0	0	0	112.7	Y340 R349 D403 L405 F406 T412	Y340-N409 HydrophobicContact CD2-CB 4.35Å; Y340-N409 HydrophobicContact CE2-CB 4Å; R349-N409 PolarHBondContact NH2-OD1 2.91Å; D403-N409 PolarHBondContact OD1-ND2 2.87Å; D403-N409 PolarHBondContact OD2-ND2 3.35Å; L405-N409 PolarHBondContact O-N 2.97Å; L405-N409 PolarHBondContact O-ND2 3.36Å; F406-N409 PolarHBondContact O-N 3.41Å; F406-N409 VanDerWaalsContact O-N 3.14Å; N409-T412 PolarHBondContact O-OG1 3.49Å; N409-T412 VanDerWaalsContact O-OG1 3.05Å
410	M	88.5	Confident	89	Confident	41 Å²	41	75.2 Å²	75.2	20%	0.202	44%	0.438	C	S	.	.	H	α-helix	trans	-81.7	-23.9	176.3	-171	63.4	-169.5	0	0	112.7	R336 K337 Y340 F396 F406 V408	R336-M410 HydrophobicContact CB-CE 3.79Å; R336-M410 PolarHBondContact NH2-O 3.35Å; K337-M410 HydrophobicContact CB-CE 4.45Å; K337-M410 HydrophobicContact CG-CE 3.72Å; Y340-M410 HydrophobicContact CD2-CB 4.43Å; Y340-M410 HydrophobicContact CD2-SD 4.28Å; Y340-M410 HydrophobicContact CG-SD 3.98Å; F396-M410 HydrophobicContact CE2-SD 4.44Å; F406-M410 HydrophobicContact CD2-CB 4.24Å; F406-M410 HydrophobicContact CE2-CB 3.82Å; F406-M410 HydrophobicContact CE2-CG 4Å; F406-M410 HydrophobicContact CE2-SD 4.29Å; F406-M410 HydrophobicContact CZ-CB 3.99Å; F406-M410 HydrophobicContact CZ-CG 3.88Å; F406-M410 HydrophobicContact CZ-SD 4.5Å; F406-M410 VanDerWaalsContact O-CB 3.24Å; F406-M410 WeakPolarHBondContact O-CB 3.42Å; F406-M410 PolarHBondContact O-N 3.5Å; V408-M410 VanDerWaalsContact C-N 3.3Å; V408-M410 PolarHBondContact O-N 3.5Å
411	A	80.5	Confident	88.5	Confident	79 Å²	79	73.6 Å²	73.6	65%	0.653	44%	0.444	S	S	*	.	H	α-helix	trans	-82.5	-28.1	177	0	0	0	0	0	113.3	R336 E407 V408	R336-A411 PolarHBondContact NH2-O 3.45Å; E407-A411 WeakPolarHBondContact O-CB 3.43Å; E407-A411 PolarHBondContact O-N 3.38Å; E407-A411 VanDerWaalsContact O-N 3.14Å; V408-A411 PolarHBondContact O-N 3.29Å
412	T	68	Low	87.9	Confident	80 Å²	80	72.6 Å²	72.6	49%	0.491	43%	0.431	S	S	.	.			trans	-72.3	0	170.5	52.7	0	0	0	0	112.2	R336 V408 N409	R336-T412 VanDerWaalsContact CZ-OXT 3.28Å; R336-T412 PolarHBondContact NH1-OXT 3.36Å; R336-T412 PolarHBondContact NH2-OXT 2.93Å; V408-T412 PolarHBondContact O-N 3.15Å; V408-T412 PolarHBondContact O-OG1 3.01Å; N409-T412 PolarHBondContact O-OG1 3.49Å; N409-T412 VanDerWaalsContact O-OG1 3.05Å

Retrieved 412 of 412 residues in 125 ms (Link to these results)

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