A0A096NB87_PAPAN Loading...

F-box only protein 3

Substrate recognition component of the SCF (SKP1-CUL1-F-box protein)-type E3 ubiquitin ligase complex, SCF(FBXO3), which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Mediates the ubiquitination of HIPK2 and probably that of EP300, leading to rapid degradation by the proteasome. In the presence of PML, HIPK2 ubiquitination still occurs, but degradation is prevented. PML, HIPK2 and FBXO3 may act synergically to activate p53/TP53-dependent transactivation. The SCF(FBXO3) also acts as a regulator of inflammation by mediating ubiquitination and degradation of FBXL2 in response to lipopolysaccharide (LPS). The SCF(FBXO3) complex specifically recognizes FBXL2 phosphorylated at 'Thr-404' and promotes its ubiquitination.

AlphaFold DB , UniProt , Accession A0A096NB87, Species PAPAN (Papio anubis, Olive baboon), Gene FBXO3, Length 471 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	45.5	Very low	55.2	Low	254 Å²	254	146.9 Å²	146.9	100%	1.251	84%	0.836	S	S	*	*				0	102	0	-85	-175.9	-126.1	0	0	107.6
2	A	42.3	Very low	57.2	Low	99 Å²	99	140.5 Å²	140.5	82%	0.818	80%	0.802	S	S	*	*			trans	-126.6	103.9	164.3	0	0	0	0	0	105.1	M4	A2-M4 PolarHBondContact O-N 3.32Å
3	A	47.4	Very low	58.8	Low	99 Å²	99	136.7 Å²	136.7	82%	0.818	78%	0.777	S	S	*	*			trans	-72.8	113.8	172.1	0	0	0	0	0	106.9	E5	A3-E5 PolarHBondContact O-N 3.49Å
4	M	48.3	Very low	59.9	Low	177 Å²	177	135.4 Å²	135.4	87%	0.872	76%	0.761	S	S	*	*			trans	-71.7	103	165.4	-76.6	175.3	67.2	0	0	106.9	A2 T6	A2-M4 PolarHBondContact O-N 3.32Å; M4-T6 PolarHBondContact O-N 3.1Å; M4-T6 VanDerWaalsContact O-N 3.12Å
5	E	51.7	Low	61.5	Low	190 Å²	190	130.7 Å²	130.7	89%	0.888	74%	0.741	S	S	*	*			trans	-65.6	105	165.1	-75.7	178.7	157.4	0	0	107.8	A3 D7	A3-E5 PolarHBondContact O-N 3.49Å; E5-D7 PolarHBondContact O-N 2.87Å
6	T	54.3	Low	63.1	Low	119 Å²	119	124.7 Å²	124.7	73%	0.73	71%	0.706	S	S	*	*			trans	-73.5	99.1	164.8	44.6	0	0	0	0	107.7	M4 T8	M4-T6 PolarHBondContact O-N 3.1Å; M4-T6 VanDerWaalsContact O-N 3.12Å; T6-T8 PolarHBondContact O-N 3.42Å
7	D	54.6	Low	64.7	Low	152 Å²	152	122.2 Å²	122.2	81%	0.813	70%	0.696	S	S	*	*			trans	-62.2	100.3	170.5	-165.5	15.6	0	0	0	108.6	E5 A9	E5-D7 PolarHBondContact O-N 2.87Å; D7-A9 PolarHBondContact O-N 2.61Å
8	T	59.3	Low	66.3	Low	127 Å²	127	118.9 Å²	118.9	78%	0.779	68%	0.679	S	S	*	*			trans	-74.2	81.7	172.5	47.4	0	0	0	0	107.8	T6 Q10	T6-T8 PolarHBondContact O-N 3.42Å; T8-Q10 PolarHBondContact O-N 2.78Å; T8-Q10 VanDerWaalsContact O-N 3.11Å
9	A	63.5	Low	67.6	Low	79 Å²	79	119.2 Å²	119.2	65%	0.653	68%	0.678	S	S	*	*			trans	-49.3	121.2	172.4	0	0	0	0	0	108.9	D7 L11	D7-A9 PolarHBondContact O-N 2.61Å; A9-L11 PolarHBondContact O-N 2.79Å
10	Q	68.8	Low	68.8	Low	177 Å²	177	116.1 Å²	116.1	83%	0.827	66%	0.662	S	S	*	*			trans	-57.8	114.3	-179.7	-136.1	176.8	6.9	0	0	108.2	T8 T12	T8-Q10 PolarHBondContact O-N 2.78Å; T8-Q10 VanDerWaalsContact O-N 3.11Å; Q10-T12 PolarHBondContact O-N 2.76Å
11	L	71.8	Confident	69.9	Low	143 Å²	143	110.6 Å²	110.6	75%	0.749	63%	0.631	S	S	*	*			trans	-74.3	103.8	-174.3	-147.4	138.8	0	0	0	108.2	A9 L16	A9-L11 PolarHBondContact O-N 2.79Å; L11-L16 HydrophobicContact CD2-CD2 3.59Å; L11-L16 HydrophobicContact CD2-CG 4.32Å
12	T	79.6	Confident	72.2	Confident	70 Å²	70	99.8 Å²	99.8	43%	0.429	58%	0.578	S	S	.	*			trans	-99.4	157.7	178.2	65.3	0	0	0	0	110.2	Q10 E14 S15 L16	Q10-T12 PolarHBondContact O-N 2.76Å; T12-E14 PolarHBondContact O-N 2.9Å; T12-S15 PolarHBondContact N-OG 2.81Å; T12-S15 PolarHBondContact O-N 2.89Å; T12-S15 PolarHBondContact O-OG 3.4Å; T12-S15 PolarHBondContact OG1-N 3.06Å; T12-S15 PolarHBondContact OG1-OG 3.25Å; T12-L16 PolarHBondContact O-N 3.05Å
13	L	78.1	Confident	74.6	Confident	91 Å²	91	100.1 Å²	100.1	48%	0.476	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-57.8	-33.9	176.6	-166	75.9	0	0	0	111.3	S15 L16 L21 I24	L13-S15 VanDerWaalsContact C-N 3.33Å; L13-L16 HydrophobicContact CD1-CD1 3.97Å; L13-L16 PolarHBondContact O-N 2.82Å; L13-L21 HydrophobicContact CD1-CD1 3.91Å; L13-L21 HydrophobicContact CD2-CD1 4.46Å; L13-L21 HydrophobicContact CG-CD1 3.9Å; L13-I24 HydrophobicContact CD1-CD1 4.28Å
14	E	74.3	Confident	76.8	Confident	118 Å²	118	98.9 Å²	98.9	55%	0.551	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-75.2	-16	176.2	-62.8	-164	150.3	0	0	114.1	T12 R42	T12-E14 PolarHBondContact O-N 2.9Å; E14-R42 PolarHBondContact O-NH1 2.86Å
15	S	83.3	Confident	78.9	Confident	66 Å²	66	90.6 Å²	90.6	46%	0.462	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-90.7	-8.8	175.6	67.7	0	0	0	0	113.4	T12 L13	T12-S15 PolarHBondContact N-OG 2.81Å; T12-S15 PolarHBondContact O-N 2.89Å; T12-S15 PolarHBondContact O-OG 3.4Å; T12-S15 PolarHBondContact OG1-N 3.06Å; T12-S15 PolarHBondContact OG1-OG 3.25Å; L13-S15 VanDerWaalsContact C-N 3.33Å
16	L	87	Confident	80.9	Confident	34 Å²	34	83.7 Å²	83.7	18%	0.178	48%	0.476	C	S	.	.	S	Bend	trans	-64.2	147.2	177.4	-72.9	174.9	0	0	0	111.5	L11 T12 L13 L21 I24 R42	L11-L16 HydrophobicContact CD2-CD2 3.59Å; L11-L16 HydrophobicContact CD2-CG 4.32Å; T12-L16 PolarHBondContact O-N 3.05Å; L13-L16 HydrophobicContact CD1-CD1 3.97Å; L13-L16 PolarHBondContact O-N 2.82Å; L16-L21 HydrophobicContact CB-CB 4.47Å; L16-I24 HydrophobicContact CD1-CD1 3.64Å; L16-R42 VanDerWaalsContact O-CZ 3.25Å; L16-R42 PolarHBondContact O-NH1 2.98Å; L16-R42 PolarHBondContact O-NH2 3.24Å
17	P	91.1	Very high	82.8	Confident	82 Å²	82	85.2 Å²	85.2	53%	0.532	47%	0.473	S	S	.	.			trans	-62.5	164.9	167.5	-19.2	31.3	0	0	0	112	P20 L21	P17-P20 HydrophobicContact CB-CG 4.28Å; P17-P20 HydrophobicContact CG-CG 4.4Å; P17-P20 WeakPolarHBondContact O-CD 3.41Å; P17-L21 WeakPolarHBondContact O-CB 3.24Å; P17-L21 PolarHBondContact O-N 2.86Å
18	T	92	Very high	84.7	Confident	64 Å²	64	79.9 Å²	79.9	39%	0.393	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-46.2	-177	-64	0	0	0	0	113.1	L21 L22 L46	T18-L21 PolarHBondContact O-N 3.2Å; T18-L22 HydrophobicContact CG2-CD1 3.75Å; T18-L22 HydrophobicContact CG2-CG 4.15Å; T18-L22 WeakPolarHBondContact O-CG 3.36Å; T18-L22 PolarHBondContact O-N 3.29Å; T18-L46 HydrophobicContact CG2-CD2 3.62Å
19	D	91.7	Very high	86.3	Confident	124 Å²	124	76.6 Å²	76.6	66%	0.663	42%	0.422	S	S	*	.	H	α-helix	trans	-66.3	-46.3	-173.9	-53.2	-30.1	0	0	0	113.3	L21 L22 L23	D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.09Å; D19-L22 PolarHBondContact O-N 3.32Å; D19-L23 PolarHBondContact O-N 3.4Å
20	P	92.4	Very high	87.8	Confident	56 Å²	56	73.1 Å²	73.1	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-60	-38	173	-24.9	35.8	0	0	0	112.8	P17 L23 I24	P17-P20 HydrophobicContact CB-CG 4.28Å; P17-P20 HydrophobicContact CG-CG 4.4Å; P17-P20 WeakPolarHBondContact O-CD 3.41Å; P20-L23 PolarHBondContact O-N 2.85Å; P20-I24 VanDerWaalsContact O-CG1 3.3Å; P20-I24 WeakPolarHBondContact O-CG1 3.32Å; P20-I24 PolarHBondContact O-N 3.49Å
21	L	91.7	Very high	89	Confident	2 Å²	2	71 Å²	71	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-70.1	-40.2	179.4	-170.8	55	0	0	0	111.6	L13 L16 P17 T18 D19 L23 I24 L25 L43 L46	L13-L21 HydrophobicContact CD1-CD1 3.91Å; L13-L21 HydrophobicContact CD2-CD1 4.46Å; L13-L21 HydrophobicContact CG-CD1 3.9Å; L16-L21 HydrophobicContact CB-CB 4.47Å; P17-L21 WeakPolarHBondContact O-CB 3.24Å; P17-L21 PolarHBondContact O-N 2.86Å; T18-L21 PolarHBondContact O-N 3.2Å; D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.09Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L21-L23 PolarHBondContact O-N 3.29Å; L21-I24 PolarHBondContact O-N 3.29Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.36Å; L21-L25 PolarHBondContact O-N 3.48Å; L21-L43 HydrophobicContact CD1-CD2 4.33Å; L21-L43 HydrophobicContact CD2-CD2 4.12Å; L21-L46 HydrophobicContact CB-CD1 4.35Å; L21-L46 HydrophobicContact CD2-CD1 3.41Å; L21-L46 VanDerWaalsContact CD2-CD1 3.41Å; L21-L46 HydrophobicContact CG-CD1 3.94Å
22	L	93.6	Very high	90.1	Very high	27 Å²	27	67.7 Å²	67.7	14%	0.141	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-37.9	172.1	-76.2	175.2	0	0	0	112.1	T18 D19 L25 S26 L46 H49 L52	T18-L22 HydrophobicContact CG2-CD1 3.75Å; T18-L22 HydrophobicContact CG2-CG 4.15Å; T18-L22 WeakPolarHBondContact O-CG 3.36Å; T18-L22 PolarHBondContact O-N 3.29Å; D19-L22 PolarHBondContact O-N 3.32Å; L22-L25 PolarHBondContact O-N 3.18Å; L22-S26 PolarHBondContact O-N 3.09Å; L22-L46 HydrophobicContact CD2-CB 4.18Å; L22-L46 HydrophobicContact CD2-CD2 4.14Å; L22-L46 HydrophobicContact CG-CD2 4.26Å; L22-H49 HydrophobicContact CD2-CB 3.76Å; L22-L52 HydrophobicContact CD2-CD1 4.15Å
23	L	92.8	Very high	90.8	Very high	106 Å²	106	64.4 Å²	64.4	56%	0.555	34%	0.34	S	S	*	.	H	α-helix	trans	-62.7	-44.7	173.7	-179.8	62.1	0	0	0	111.1	D19 P20 L21 S26 F27	D19-L23 PolarHBondContact O-N 3.4Å; P20-L23 PolarHBondContact O-N 2.85Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L21-L23 PolarHBondContact O-N 3.29Å; L23-S26 WeakPolarHBondContact O-CB 3.48Å; L23-S26 PolarHBondContact O-N 3.2Å; L23-S26 PolarHBondContact O-OG 2.92Å; L23-F27 HydrophobicContact CD1-CE2 4.08Å; L23-F27 HydrophobicContact CD1-CZ 4.44Å; L23-F27 HydrophobicContact CG-CE2 4.12Å; L23-F27 WeakPolarHBondContact O-CD2 3.47Å; L23-F27 WeakPolarHBondContact O-CE2 3.26Å
24	I	92.8	Very high	91.5	Very high	72 Å²	72	62.8 Å²	62.8	37%	0.369	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-50.3	174.7	-68.3	164.1	0	0	0	110.6	L13 L16 P20 L21 S26 F27	L13-I24 HydrophobicContact CD1-CD1 4.28Å; L16-I24 HydrophobicContact CD1-CD1 3.64Å; P20-I24 VanDerWaalsContact O-CG1 3.3Å; P20-I24 WeakPolarHBondContact O-CG1 3.32Å; P20-I24 PolarHBondContact O-N 3.49Å; L21-I24 PolarHBondContact O-N 3.29Å; I24-S26 PolarHBondContact O-N 2.94Å; I24-F27 PolarHBondContact O-N 2.81Å; I24-F27 VanDerWaalsContact O-N 3.11Å
25	L	93.4	Very high	92.4	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-28.2	179	-66.8	174.3	0	0	0	112.2	L21 L22 F27 L28 L33 C36 L46 L52	L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.36Å; L21-L25 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.18Å; L25-F27 PolarHBondContact O-N 2.99Å; L25-L28 HydrophobicContact CD2-CD1 3.6Å; L25-L28 WeakPolarHBondContact O-CB 3.44Å; L25-L28 PolarHBondContact O-N 2.91Å; L25-L28 VanDerWaalsContact O-N 3.14Å; L25-L33 HydrophobicContact CB-CD2 4.12Å; L25-L33 HydrophobicContact CD2-CD2 4.48Å; L25-C36 HydrophobicContact CD2-CB 4.44Å; L25-L46 HydrophobicContact CD1-CB 3.73Å; L25-L52 HydrophobicContact CB-CD1 3.96Å; L25-L52 HydrophobicContact CB-CD2 4.34Å; L25-L52 HydrophobicContact CD1-CD1 4.36Å
26	S	93.8	Very high	92.8	Very high	44 Å²	44	59.5 Å²	59.5	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-19.5	178.4	81.7	0	0	0	0	114.6	L22 L23 I24 R55	L22-S26 PolarHBondContact O-N 3.09Å; L23-S26 WeakPolarHBondContact O-CB 3.48Å; L23-S26 PolarHBondContact O-N 3.2Å; L23-S26 PolarHBondContact O-OG 2.92Å; I24-S26 PolarHBondContact O-N 2.94Å; S26-R55 PolarHBondContact O-NH2 2.94Å
27	F	93.8	Very high	92.9	Very high	151 Å²	151	58.8 Å²	58.8	66%	0.662	31%	0.311	S	S	*	.	H	α-helix	trans	-83.8	-20.2	175.3	-66.1	-73.7	0	0	0	113	L23 I24 L25	L23-F27 HydrophobicContact CD1-CE2 4.08Å; L23-F27 HydrophobicContact CD1-CZ 4.44Å; L23-F27 HydrophobicContact CG-CE2 4.12Å; L23-F27 WeakPolarHBondContact O-CD2 3.47Å; L23-F27 WeakPolarHBondContact O-CE2 3.26Å; I24-F27 PolarHBondContact O-N 2.81Å; I24-F27 VanDerWaalsContact O-N 3.11Å; L25-F27 PolarHBondContact O-N 2.99Å
28	L	94.4	Very high	93	Very high	41 Å²	41	64 Å²	64	22%	0.215	32%	0.321	C	S	.	.	S	Bend	trans	-67.2	154.3	-178.2	-61.2	-175.5	0	0	0	112	L25 D32 L33 R55 H56	L25-L28 HydrophobicContact CD2-CD1 3.6Å; L25-L28 WeakPolarHBondContact O-CB 3.44Å; L25-L28 PolarHBondContact O-N 2.91Å; L25-L28 VanDerWaalsContact O-N 3.14Å; L28-D32 HydrophobicContact CB-CB 3.94Å; L28-D32 HydrophobicContact CD1-CB 4.2Å; L28-D32 HydrophobicContact CD2-CB 4.2Å; L28-D32 HydrophobicContact CG-CB 4.33Å; L28-L33 HydrophobicContact CB-CD2 4.23Å; L28-L33 HydrophobicContact CB-CG 4.03Å; L28-L33 HydrophobicContact CD1-CD2 4.37Å; L28-R55 PolarHBondContact O-NH2 2.88Å; L28-H56 PolarHBondContact O-CE1 2.88Å; L28-H56 PolarHBondContact O-NE2 2.84Å
29	D	93.6	Very high	92.9	Very high	57 Å²	57	65.8 Å²	65.8	31%	0.305	33%	0.332	S	S	.	.			trans	-79.8	177.1	168	81.4	12.6	0	0	0	111.2	R31 D32 L33	D29-R31 VanDerWaalsContact C-N 3.3Å; D29-R31 PolarHBondContact O-N 3Å; D29-R31 WeakPolarHBondContact OD1-CA 3.28Å; D29-R31 WeakPolarHBondContact OD1-CB 3.4Å; D29-R31 PolarHBondContact OD1-N 2.91Å; D29-D32 PolarHBondContact OD1-N 2.79Å; D29-L33 WeakPolarHBondContact O-CB 3.23Å; D29-L33 VanDerWaalsContact O-CG 3.27Å; D29-L33 WeakPolarHBondContact O-CG 3.46Å; D29-L33 PolarHBondContact O-N 2.9Å
30	Y	93.7	Very high	92.9	Very high	7 Å²	7	61.2 Å²	61.2	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-31.5	-178.2	79.7	-86.2	0	0	0	112.4	I34 Y60 F79 Y83 I90	Y30-I34 HydrophobicContact CD2-CD1 4.13Å; Y30-I34 VanDerWaalsContact O-CG1 3.23Å; Y30-I34 WeakPolarHBondContact O-CG1 3.41Å; Y30-I34 PolarHBondContact O-N 2.93Å; Y30-Y60 HydrophobicContact CD1-CE2 4.01Å; Y30-F79 HydrophobicContact CD1-CZ 4.4Å; Y30-F79 AromaticContact CD2-CE1 3.74Å; Y30-F79 HydrophobicContact CD2-CE1 3.74Å; Y30-F79 AromaticContact CD2-CZ 3.86Å; Y30-F79 HydrophobicContact CD2-CZ 3.86Å; Y30-F79 HydrophobicContact CE2-CE1 4.49Å; Y30-F79 HydrophobicContact CG-CE1 4.05Å; Y30-F79 AromaticContact CG-CZ 3.75Å; Y30-F79 HydrophobicContact CG-CZ 3.75Å; Y30-Y83 HydrophobicContact CD2-CE2 4.43Å; Y30-Y83 HydrophobicContact CE2-CD2 4.24Å; Y30-Y83 AromaticContact CE2-CE2 3.53Å; Y30-Y83 HydrophobicContact CE2-CE2 3.53Å; Y30-Y83 AromaticContact CZ-CE2 3.89Å; Y30-I90 HydrophobicContact CD1-CD1 4.21Å; Y30-I90 HydrophobicContact CE1-CD1 3.68Å; Y30-I90 HydrophobicContact CE2-CD1 4.25Å
31	R	94.2	Very high	92.7	Very high	132 Å²	132	69.3 Å²	69.3	50%	0.498	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-45	-179.4	-62.5	-178.9	179.5	173.1	1.3	109.7	D29 I34 N35	D29-R31 VanDerWaalsContact C-N 3.3Å; D29-R31 PolarHBondContact O-N 3Å; D29-R31 WeakPolarHBondContact OD1-CA 3.28Å; D29-R31 WeakPolarHBondContact OD1-CB 3.4Å; D29-R31 PolarHBondContact OD1-N 2.91Å; R31-I34 WeakPolarHBondContact O-CB 3.5Å; R31-I34 PolarHBondContact O-N 3.37Å; R31-N35 PolarHBondContact O-N 3.03Å; R31-N35 PolarHBondContact O-ND2 2.84Å
32	D	94.8	Very high	92.7	Very high	74 Å²	74	73 Å²	73	40%	0.396	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-40.5	176.9	-72	-23.9	0	0	0	111.6	L28 D29 I34 N35 C36	L28-D32 HydrophobicContact CB-CB 3.94Å; L28-D32 HydrophobicContact CD1-CB 4.2Å; L28-D32 HydrophobicContact CD2-CB 4.2Å; L28-D32 HydrophobicContact CG-CB 4.33Å; D29-D32 PolarHBondContact OD1-N 2.79Å; D32-I34 VanDerWaalsContact C-N 3.31Å; D32-I34 PolarHBondContact O-N 2.82Å; D32-N35 PolarHBondContact O-N 3.03Å; D32-C36 WeakPolarHBondContact O-CB 3.45Å; D32-C36 PolarHBondContact O-N 3.12Å; D32-C36 PolarHBondContact O-SG 3.43Å
33	L	93.9	Very high	92.6	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-40.2	172.7	-75.9	173.1	0	0	0	112.4	L25 L28 D29 C37 S47 L52 W53	L25-L33 HydrophobicContact CB-CD2 4.12Å; L25-L33 HydrophobicContact CD2-CD2 4.48Å; L28-L33 HydrophobicContact CB-CD2 4.23Å; L28-L33 HydrophobicContact CB-CG 4.03Å; L28-L33 HydrophobicContact CD1-CD2 4.37Å; D29-L33 WeakPolarHBondContact O-CB 3.23Å; D29-L33 VanDerWaalsContact O-CG 3.27Å; D29-L33 WeakPolarHBondContact O-CG 3.46Å; D29-L33 PolarHBondContact O-N 2.9Å; L33-C37 PolarHBondContact O-N 2.85Å; L33-C37 PolarHBondContact O-SG 2.92Å; L33-S47 WeakPolarHBondContact O-CB 3.4Å; L33-L52 HydrophobicContact CD1-CB 4.36Å; L33-L52 HydrophobicContact CD2-CD1 4.1Å; L33-W53 HydrophobicContact CB-CH2 4.38Å; L33-W53 HydrophobicContact CB-CZ2 4.08Å
34	I	92.4	Very high	92.5	Very high	57 Å²	57	69.3 Å²	69.3	29%	0.292	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-47.2	173.8	-69.8	171.5	0	0	0	110	Y30 R31 D32 C36 C37 Y38 W53	Y30-I34 HydrophobicContact CD2-CD1 4.13Å; Y30-I34 VanDerWaalsContact O-CG1 3.23Å; Y30-I34 WeakPolarHBondContact O-CG1 3.41Å; Y30-I34 PolarHBondContact O-N 2.93Å; R31-I34 WeakPolarHBondContact O-CB 3.5Å; R31-I34 PolarHBondContact O-N 3.37Å; D32-I34 VanDerWaalsContact C-N 3.31Å; D32-I34 PolarHBondContact O-N 2.82Å; I34-C36 VanDerWaalsContact C-N 3.33Å; I34-C36 PolarHBondContact O-N 2.89Å; I34-C37 WeakPolarHBondContact O-CA 3.31Å; I34-C37 WeakPolarHBondContact O-CB 3.44Å; I34-C37 PolarHBondContact O-N 3.17Å; I34-Y38 HydrophobicContact CG2-CD2 4.36Å; I34-Y38 HydrophobicContact CG2-CE2 3.64Å; I34-Y38 WeakPolarHBondContact O-CD2 3.23Å; I34-W53 HydrophobicContact CD1-CH2 4.33Å; I34-W53 HydrophobicContact CG1-CH2 3.7Å
35	N	94	Very high	92.4	Very high	90 Å²	90	72.9 Å²	72.9	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-43.9	179.2	-69.6	-27.7	0	0	0	111.6	R31 D32 C37 Y38	R31-N35 PolarHBondContact O-N 3.03Å; R31-N35 PolarHBondContact O-ND2 2.84Å; D32-N35 PolarHBondContact O-N 3.03Å; N35-C37 PolarHBondContact O-N 2.78Å; N35-C37 VanDerWaalsContact O-N 3.16Å; N35-Y38 PolarHBondContact O-N 2.86Å
36	C	92.1	Very high	92.4	Very high	25 Å²	25	73.7 Å²	73.7	17%	0.169	35%	0.35	C	S	.	.	H	α-helix	trans	-57.8	-28.4	173.9	-71.1	0	0	0	0	112.7	L25 D32 I34 Y38 V39 L43 S47	L25-C36 HydrophobicContact CD2-CB 4.44Å; D32-C36 WeakPolarHBondContact O-CB 3.45Å; D32-C36 PolarHBondContact O-N 3.12Å; D32-C36 PolarHBondContact O-SG 3.43Å; I34-C36 VanDerWaalsContact C-N 3.33Å; I34-C36 PolarHBondContact O-N 2.89Å; C36-Y38 PolarHBondContact O-N 2.92Å; C36-V39 PolarHBondContact O-N 2.89Å; C36-L43 VanDerWaalsContact O-CB 3.31Å; C36-L43 WeakPolarHBondContact O-CB 3.39Å; C36-S47 WeakPolarHBondContact CB-OG 3.36Å
37	C	89.7	Confident	92.3	Very high	19 Å²	19	71.6 Å²	71.6	13%	0.128	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-21.5	175.6	-63.6	0	0	0	0	113.8	L33 I34 N35 S44	L33-C37 PolarHBondContact O-N 2.85Å; L33-C37 PolarHBondContact O-SG 2.92Å; I34-C37 WeakPolarHBondContact O-CA 3.31Å; I34-C37 WeakPolarHBondContact O-CB 3.44Å; I34-C37 PolarHBondContact O-N 3.17Å; N35-C37 PolarHBondContact O-N 2.78Å; N35-C37 VanDerWaalsContact O-N 3.16Å; C37-S44 VanDerWaalsContact O-CB 3.27Å; C37-S44 WeakPolarHBondContact O-CB 3.31Å; C37-S44 PolarHBondContact O-OG 2.83Å; C37-S44 VanDerWaalsContact O-OG 3.07Å
38	Y	91.6	Very high	92.1	Very high	190 Å²	190	66.4 Å²	66.4	75%	0.745	32%	0.318	S	S	*	.	H	α-helix	trans	-98	-8.8	-179.2	-62.2	-70.2	0	0	0	113.9	I34 N35 C36	I34-Y38 HydrophobicContact CG2-CD2 4.36Å; I34-Y38 HydrophobicContact CG2-CE2 3.64Å; I34-Y38 WeakPolarHBondContact O-CD2 3.23Å; N35-Y38 PolarHBondContact O-N 2.86Å; C36-Y38 PolarHBondContact O-N 2.92Å
39	V	90.6	Very high	92	Very high	103 Å²	103	68.5 Å²	68.5	62%	0.624	33%	0.327	S	S	*	.	H	α-helix	trans	-78.6	-50.9	-174.9	177.9	0	0	0	0	112.4	C36 L43	C36-V39 PolarHBondContact O-N 2.89Å; V39-L43 HydrophobicContact CB-CD1 3.9Å; V39-L43 HydrophobicContact CG1-CD1 3.76Å
40	S	90.7	Very high	91.7	Very high	27 Å²	27	67.8 Å²	67.8	19%	0.189	32%	0.323	C	S	.	.			trans	-153	160.9	179.2	82.2	0	0	0	0	111.6	R42 L43 S44	S40-R42 VanDerWaalsContact C-N 3.26Å; S40-R42 PolarHBondContact O-N 2.92Å; S40-L43 PolarHBondContact O-N 2.95Å; S40-L43 PolarHBondContact OG-N 2.82Å; S40-S44 VanDerWaalsContact O-CB 3.32Å; S40-S44 WeakPolarHBondContact O-CB 3.31Å; S40-S44 PolarHBondContact O-N 2.93Å
41	R	90.1	Very high	91.6	Very high	227 Å²	227	71 Å²	71	86%	0.857	35%	0.345	S	S	*	.	H	α-helix	trans	-58.3	-39.6	178.5	-69.4	-176.4	-177.5	172.2	1.4	112.2	S44 Q45	R41-S44 WeakPolarHBondContact O-CB 3.43Å; R41-S44 PolarHBondContact O-N 2.58Å; R41-Q45 WeakPolarHBondContact O-CG 3.33Å; R41-Q45 PolarHBondContact O-N 3.47Å
42	R	91.6	Very high	91.5	Very high	80 Å²	80	65.5 Å²	65.5	30%	0.302	33%	0.325	S	S	.	.	H	α-helix	trans	-66.1	-48.6	179.5	-175.4	175.9	-177.2	-166	-5.3	110.9	E14 L16 S40 S44 Q45 L46	E14-R42 PolarHBondContact O-NH1 2.86Å; L16-R42 VanDerWaalsContact O-CZ 3.25Å; L16-R42 PolarHBondContact O-NH1 2.98Å; L16-R42 PolarHBondContact O-NH2 3.24Å; S40-R42 VanDerWaalsContact C-N 3.26Å; S40-R42 PolarHBondContact O-N 2.92Å; R42-S44 VanDerWaalsContact C-N 3.28Å; R42-S44 PolarHBondContact O-N 3.44Å; R42-Q45 PolarHBondContact O-N 3.1Å; R42-L46 HydrophobicContact CG-CD1 4.09Å; R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 3.02Å
43	L	90.4	Very high	91.5	Very high	13 Å²	13	62 Å²	62	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-33.5	176.8	-71.4	172.9	0	0	0	111.9	L21 C36 V39 S40 L46 S47	L21-L43 HydrophobicContact CD1-CD2 4.33Å; L21-L43 HydrophobicContact CD2-CD2 4.12Å; C36-L43 VanDerWaalsContact O-CB 3.31Å; C36-L43 WeakPolarHBondContact O-CB 3.39Å; V39-L43 HydrophobicContact CB-CD1 3.9Å; V39-L43 HydrophobicContact CG1-CD1 3.76Å; S40-L43 PolarHBondContact O-N 2.95Å; S40-L43 PolarHBondContact OG-N 2.82Å; L43-L46 PolarHBondContact O-N 2.79Å; L43-S47 WeakPolarHBondContact O-CB 3.41Å; L43-S47 PolarHBondContact O-N 2.69Å; L43-S47 PolarHBondContact O-OG 3.21Å
44	S	90.8	Very high	91.5	Very high	41 Å²	41	67.1 Å²	67.1	29%	0.287	33%	0.326	S	S	.	.	H	α-helix	trans	-61.2	-45.8	173.3	-162.4	0	0	0	0	113.1	C37 S40 R41 R42 S48	C37-S44 VanDerWaalsContact O-CB 3.27Å; C37-S44 WeakPolarHBondContact O-CB 3.31Å; C37-S44 PolarHBondContact O-OG 2.83Å; C37-S44 VanDerWaalsContact O-OG 3.07Å; S40-S44 VanDerWaalsContact O-CB 3.32Å; S40-S44 WeakPolarHBondContact O-CB 3.31Å; S40-S44 PolarHBondContact O-N 2.93Å; R41-S44 WeakPolarHBondContact O-CB 3.43Å; R41-S44 PolarHBondContact O-N 2.58Å; R42-S44 VanDerWaalsContact C-N 3.28Å; R42-S44 PolarHBondContact O-N 3.44Å; S44-S48 VanDerWaalsContact O-CB 3.27Å; S44-S48 WeakPolarHBondContact O-CB 3.26Å; S44-S48 PolarHBondContact O-N 3Å; S44-S48 PolarHBondContact O-OG 3.25Å
45	Q	91.2	Very high	91.5	Very high	148 Å²	148	70.2 Å²	70.2	69%	0.692	33%	0.334	S	S	*	.	H	α-helix	trans	-64.4	-46.5	176	-71.4	172.7	-11.9	0	0	111.7	R41 R42 S48	R41-Q45 WeakPolarHBondContact O-CG 3.33Å; R41-Q45 PolarHBondContact O-N 3.47Å; R42-Q45 PolarHBondContact O-N 3.1Å; Q45-S48 PolarHBondContact O-N 2.87Å
46	L	92.4	Very high	91.6	Very high	20 Å²	20	66.1 Å²	66.1	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-72.5	-41.2	-176.1	-66	177.8	0	0	0	113.1	T18 L21 L22 L25 R42 L43 S48 H49 L52	T18-L46 HydrophobicContact CG2-CD2 3.62Å; L21-L46 HydrophobicContact CB-CD1 4.35Å; L21-L46 HydrophobicContact CD2-CD1 3.41Å; L21-L46 VanDerWaalsContact CD2-CD1 3.41Å; L21-L46 HydrophobicContact CG-CD1 3.94Å; L22-L46 HydrophobicContact CD2-CB 4.18Å; L22-L46 HydrophobicContact CD2-CD2 4.14Å; L22-L46 HydrophobicContact CG-CD2 4.26Å; L25-L46 HydrophobicContact CD1-CB 3.73Å; R42-L46 HydrophobicContact CG-CD1 4.09Å; R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 3.02Å; L43-L46 PolarHBondContact O-N 2.79Å; L46-S48 PolarHBondContact O-N 2.92Å; L46-H49 WeakPolarHBondContact O-CB 3.36Å; L46-H49 PolarHBondContact O-N 3.08Å; L46-L52 VanDerWaalsContact O-CD1 3.24Å; L46-L52 WeakPolarHBondContact O-CD1 3.45Å
47	S	92.3	Very high	91.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.5	-17.2	176.3	-49.3	0	0	0	0	111.7	L33 C36 L43 H49 W53	L33-S47 WeakPolarHBondContact O-CB 3.4Å; C36-S47 WeakPolarHBondContact CB-OG 3.36Å; L43-S47 WeakPolarHBondContact O-CB 3.41Å; L43-S47 PolarHBondContact O-N 2.69Å; L43-S47 PolarHBondContact O-OG 3.21Å; S47-H49 VanDerWaalsContact C-N 3.3Å; S47-W53 PolarHBondContact O-NE1 2.89Å
48	S	90.5	Very high	91.9	Very high	42 Å²	42	67.8 Å²	67.8	29%	0.294	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.3	171.6	-57.9	0	0	0	0	113.9	S44 Q45 L46 D50 K76	S44-S48 VanDerWaalsContact O-CB 3.27Å; S44-S48 WeakPolarHBondContact O-CB 3.26Å; S44-S48 PolarHBondContact O-N 3Å; S44-S48 PolarHBondContact O-OG 3.25Å; Q45-S48 PolarHBondContact O-N 2.87Å; L46-S48 PolarHBondContact O-N 2.92Å; S48-D50 PolarHBondContact O-N 2.88Å; S48-K76 PolarHBondContact OG-NZ 3.04Å
49	H	91.7	Very high	92	Very high	85 Å²	85	64.4 Å²	64.4	39%	0.394	30%	0.303	S	S	.	.			trans	-62.6	122.4	-178.2	-171	-114	0	0	0	111.2	L22 L46 S47 P51 L52	L22-H49 HydrophobicContact CD2-CB 3.76Å; L46-H49 WeakPolarHBondContact O-CB 3.36Å; L46-H49 PolarHBondContact O-N 3.08Å; S47-H49 VanDerWaalsContact C-N 3.3Å; H49-P51 VanDerWaalsContact CE1-CD 3.48Å; H49-P51 WeakPolarHBondContact CE1-CD 3.32Å; H49-P51 WeakPolarHBondContact ND1-CD 3.32Å; H49-L52 HydrophobicContact CB-CD1 4.11Å; H49-L52 HydrophobicContact CB-CG 4.32Å; H49-L52 WeakPolarHBondContact O-CB 3.24Å; H49-L52 PolarHBondContact O-N 2.78Å
50	D	87.6	Confident	92.3	Very high	42 Å²	42	60.9 Å²	60.9	23%	0.225	28%	0.279	C	S	.	.	H	α-helix	trans	-54.1	-43.4	-166.3	-163.8	55.4	0	0	0	114.9	S48 L52 W53 R54 K68 C74 W75	S48-D50 PolarHBondContact O-N 2.88Å; D50-L52 PolarHBondContact O-N 2.87Å; D50-W53 PolarHBondContact O-N 2.76Å; D50-W53 VanDerWaalsContact O-N 3.12Å; D50-R54 PolarHBondContact O-N 2.93Å; D50-K68 IonicContact OD2-NZ 2.83Å; D50-K68 PolarHBondContact OD2-NZ 2.89Å; D50-C74 VanDerWaalsContact OD1-CB 3.23Å; D50-C74 WeakPolarHBondContact OD1-CB 3.21Å; D50-W75 WeakPolarHBondContact OD1-CA 3.46Å; D50-W75 VanDerWaalsContact OD1-CB 3.28Å; D50-W75 WeakPolarHBondContact OD1-CB 3.46Å; D50-W75 PolarHBondContact OD1-N 3.36Å
51	P	90.1	Very high	92.5	Very high	76 Å²	76	59.7 Å²	59.7	49%	0.494	27%	0.27	S	S	.	.	H	α-helix	trans	-56.9	-27.7	175.8	-29.1	36.8	0	0	0	116	H49 W53 R54	H49-P51 VanDerWaalsContact CE1-CD 3.48Å; H49-P51 WeakPolarHBondContact CE1-CD 3.32Å; H49-P51 WeakPolarHBondContact ND1-CD 3.32Å; P51-W53 VanDerWaalsContact C-N 3.28Å; P51-W53 PolarHBondContact O-N 2.83Å; P51-R54 WeakPolarHBondContact O-CB 3.32Å; P51-R54 PolarHBondContact O-N 2.81Å
52	L	93.5	Very high	92.8	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-38	178.2	-61.9	176.1	0	0	0	110.8	L22 L25 L33 L46 H49 D50 H56	L22-L52 HydrophobicContact CD2-CD1 4.15Å; L25-L52 HydrophobicContact CB-CD1 3.96Å; L25-L52 HydrophobicContact CB-CD2 4.34Å; L25-L52 HydrophobicContact CD1-CD1 4.36Å; L33-L52 HydrophobicContact CD1-CB 4.36Å; L33-L52 HydrophobicContact CD2-CD1 4.1Å; L46-L52 VanDerWaalsContact O-CD1 3.24Å; L46-L52 WeakPolarHBondContact O-CD1 3.45Å; H49-L52 HydrophobicContact CB-CD1 4.11Å; H49-L52 HydrophobicContact CB-CG 4.32Å; H49-L52 WeakPolarHBondContact O-CB 3.24Å; H49-L52 PolarHBondContact O-N 2.78Å; D50-L52 PolarHBondContact O-N 2.87Å; L52-H56 PolarHBondContact O-CD2 2.72Å; L52-H56 VanDerWaalsContact O-CD2 3.3Å
53	W	95.1	Very high	92.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-80.5	-23.5	-176.5	-65.6	87.1	0	0	0	113.2	L33 I34 S47 D50 P51 R55 H56 C57 W75 K76 F79	L33-W53 HydrophobicContact CB-CH2 4.38Å; L33-W53 HydrophobicContact CB-CZ2 4.08Å; I34-W53 HydrophobicContact CD1-CH2 4.33Å; I34-W53 HydrophobicContact CG1-CH2 3.7Å; S47-W53 PolarHBondContact O-NE1 2.89Å; D50-W53 PolarHBondContact O-N 2.76Å; D50-W53 VanDerWaalsContact O-N 3.12Å; P51-W53 VanDerWaalsContact C-N 3.28Å; P51-W53 PolarHBondContact O-N 2.83Å; W53-R55 VanDerWaalsContact C-N 3.27Å; W53-R55 PolarHBondContact O-N 3.11Å; W53-H56 PolarHBondContact O-N 3.03Å; W53-C57 PolarHBondContact O-N 2.91Å; W53-C57 PolarHBondContact O-SG 2.89Å; W53-W75 HydrophobicContact CB-CB 3.74Å; W53-K76 HydrophobicContact CB-CB 4.26Å; W53-K76 HydrophobicContact CD2-CB 3.97Å; W53-K76 HydrophobicContact CD2-CD 4.48Å; W53-K76 HydrophobicContact CD2-CG 3.86Å; W53-K76 HydrophobicContact CE3-CG 4.45Å; W53-K76 HydrophobicContact CG-CB 3.68Å; W53-K76 HydrophobicContact CG-CG 4.1Å; W53-K76 HydrophobicContact CZ2-CD 4.07Å; W53-K76 HydrophobicContact CZ2-CG 4.08Å; W53-F79 HydrophobicContact CE3-CB 3.84Å; W53-F79 AromaticContact CE3-CD1 3.84Å; W53-F79 HydrophobicContact CE3-CD1 3.84Å; W53-F79 HydrophobicContact CE3-CD2 4.44Å; W53-F79 AromaticContact CE3-CG 3.77Å; W53-F79 HydrophobicContact CE3-CG 3.77Å; W53-F79 HydrophobicContact CZ3-CB 4.32Å; W53-F79 AromaticContact CZ3-CD1 3.5Å; W53-F79 HydrophobicContact CZ3-CD1 3.5Å; W53-F79 AromaticContact CZ3-CE1 3.98Å; W53-F79 HydrophobicContact CZ3-CE1 3.98Å; W53-F79 AromaticContact CZ3-CG 3.95Å; W53-F79 HydrophobicContact CZ3-CG 3.95Å
54	R	93.8	Very high	92.8	Very high	110 Å²	110	49.4 Å²	49.4	42%	0.415	24%	0.24	S	C	.	.	H	α-helix	trans	-51.6	-45.7	175.7	-176.4	178.4	-172.5	-156.9	2.4	112.2	D50 P51 H56 K58 E65 W75	D50-R54 PolarHBondContact O-N 2.93Å; P51-R54 WeakPolarHBondContact O-CB 3.32Å; P51-R54 PolarHBondContact O-N 2.81Å; R54-H56 VanDerWaalsContact C-N 3.33Å; R54-H56 PolarHBondContact O-N 2.83Å; R54-K58 HydrophobicContact CG-CD 4.42Å; R54-K58 WeakPolarHBondContact O-CG 3.48Å; R54-K58 PolarHBondContact O-N 3.06Å; R54-K58 VanDerWaalsContact O-N 3.12Å; R54-E65 IonicContact CZ-OE1 3.68Å; R54-E65 IonicContact NE-OE1 2.67Å; R54-E65 PolarHBondContact NE-OE1 3.44Å; R54-E65 IonicContact NH2-OE1 3.42Å; R54-E65 PolarHBondContact NH2-OE1 3.32Å; R54-W75 HydrophobicContact CB-CD2 4.07Å; R54-W75 HydrophobicContact CB-CG 3.95Å; R54-W75 HydrophobicContact CG-CD2 4.21Å; R54-W75 HydrophobicContact CG-CZ2 3.86Å
55	R	92.3	Very high	92.7	Very high	122 Å²	122	50.3 Å²	50.3	46%	0.46	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-42.7	179.3	-175.3	-179.4	75.5	151.3	-1.2	111.2	S26 L28 W53 K59	S26-R55 PolarHBondContact O-NH2 2.94Å; L28-R55 PolarHBondContact O-NH2 2.88Å; W53-R55 VanDerWaalsContact C-N 3.27Å; W53-R55 PolarHBondContact O-N 3.11Å; R55-K59 VanDerWaalsContact O-CB 3.22Å; R55-K59 WeakPolarHBondContact O-CB 3.34Å; R55-K59 PolarHBondContact O-N 3.21Å
56	H	94.8	Very high	92.6	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-71.2	-41.7	-177.8	-64.6	-65.9	0	0	0	112.2	L28 L52 W53 R54 K58 K59 Y60 F79	L28-H56 PolarHBondContact O-CE1 2.88Å; L28-H56 PolarHBondContact O-NE2 2.84Å; L52-H56 PolarHBondContact O-CD2 2.72Å; L52-H56 VanDerWaalsContact O-CD2 3.3Å; W53-H56 PolarHBondContact O-N 3.03Å; R54-H56 VanDerWaalsContact C-N 3.33Å; R54-H56 PolarHBondContact O-N 2.83Å; H56-K58 VanDerWaalsContact C-N 3.34Å; H56-K58 PolarHBondContact O-N 3.08Å; H56-K59 PolarHBondContact O-N 3.31Å; H56-Y60 HydrophobicContact CB-CD2 4.23Å; H56-Y60 AromaticContact ND1-CE2 3.76Å; H56-Y60 WeakPolarHBondContact O-CD2 3.21Å; H56-Y60 PolarHBondContact O-N 2.93Å; H56-F79 HydrophobicContact CB-CD2 3.92Å; H56-F79 HydrophobicContact CB-CE2 3.69Å; H56-F79 HydrophobicContact CB-CZ 4.46Å
57	C	95.3	Very high	92.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-60	-43.9	173.6	-65.5	0	0	0	0	112.1	W53 W61 L62 I63 W75 F79	W53-C57 PolarHBondContact O-N 2.91Å; W53-C57 PolarHBondContact O-SG 2.89Å; C57-W61 CarbonylContact O-C 3.4Å; C57-W61 WeakPolarHBondContact O-CA 3.39Å; C57-W61 WeakPolarHBondContact O-CB 3.45Å; C57-W61 PolarHBondContact O-N 2.87Å; C57-L62 PolarHBondContact O-N 3.06Å; C57-L62 VanDerWaalsContact O-N 3.14Å; C57-I63 HydrophobicContact CB-CB 4.36Å; C57-I63 HydrophobicContact CB-CD1 4.42Å; C57-I63 PolarHBondContact O-N 3.21Å; C57-W75 HydrophobicContact CB-CE3 3.5Å; C57-W75 VanDerWaalsContact CB-CE3 3.5Å; C57-W75 HydrophobicContact CB-CZ3 3.64Å; C57-W75 PolarHBondContact SG-O 2.92Å; C57-F79 VanDerWaalsContact SG-CB 3.56Å
58	K	94	Very high	92.2	Very high	79 Å²	79	53.3 Å²	53.3	34%	0.343	25%	0.253	S	S	.	.	I	π-helix	trans	-66.3	-40.6	176.8	-72.4	-175.7	-179.7	-168.7	0	112.4	R54 H56 L62 I63 E65	R54-K58 HydrophobicContact CG-CD 4.42Å; R54-K58 WeakPolarHBondContact O-CG 3.48Å; R54-K58 PolarHBondContact O-N 3.06Å; R54-K58 VanDerWaalsContact O-N 3.12Å; H56-K58 VanDerWaalsContact C-N 3.34Å; H56-K58 PolarHBondContact O-N 3.08Å; K58-L62 WeakPolarHBondContact O-CA 3.16Å; K58-L62 PolarHBondContact O-N 2.85Å; K58-I63 WeakPolarHBondContact CG-O 3.43Å; K58-E65 VanDerWaalsContact CE-OE1 3.28Å; K58-E65 WeakPolarHBondContact CE-OE1 3.29Å; K58-E65 IonicContact NZ-OE1 2.81Å; K58-E65 PolarHBondContact NZ-OE1 3.28Å
59	K	94.1	Very high	92.1	Very high	120 Å²	120	56.3 Å²	56.3	52%	0.522	27%	0.269	S	S	.	.	I	π-helix	trans	-68.4	-50.4	-178.3	-179.1	-176.9	175	-167.4	0	112.3	R55 H56 A94	R55-K59 VanDerWaalsContact O-CB 3.22Å; R55-K59 WeakPolarHBondContact O-CB 3.34Å; R55-K59 PolarHBondContact O-N 3.21Å; H56-K59 PolarHBondContact O-N 3.31Å; K59-A94 WeakPolarHBondContact O-CB 3.27Å
60	Y	95.9	Very high	92.1	Very high	29 Å²	29	59.9 Å²	59.9	11%	0.114	29%	0.286	C	S	.	.	I	π-helix	trans	-93.8	-34.5	-169.3	-67.8	-71.4	0	0	0	113	Y30 H56 F79 I90 Y93	Y30-Y60 HydrophobicContact CD1-CE2 4.01Å; H56-Y60 HydrophobicContact CB-CD2 4.23Å; H56-Y60 AromaticContact ND1-CE2 3.76Å; H56-Y60 WeakPolarHBondContact O-CD2 3.21Å; H56-Y60 PolarHBondContact O-N 2.93Å; Y60-F79 HydrophobicContact CD2-CE2 4.07Å; Y60-F79 HydrophobicContact CD2-CZ 4.45Å; Y60-I90 HydrophobicContact CD1-CD1 3.97Å; Y60-I90 HydrophobicContact CD1-CG1 3.42Å; Y60-I90 VanDerWaalsContact CD1-CG1 3.42Å; Y60-I90 HydrophobicContact CD2-CD1 4.39Å; Y60-I90 HydrophobicContact CE1-CD1 4.34Å; Y60-I90 HydrophobicContact CE1-CG1 3.98Å; Y60-I90 HydrophobicContact CG-CD1 3.99Å; Y60-I90 HydrophobicContact CG-CG1 3.81Å; Y60-Y93 WeakPolarHBondContact O-CD1 3.48Å
61	W	95.3	Very high	92.1	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.008	30%	0.301	C	S	.	.	I	π-helix	trans	-111.6	-6.8	-172.2	-47.5	139.2	0	0	0	113.7	C57 I63 F79 T82 Y83 V86 I90 Y93	C57-W61 CarbonylContact O-C 3.4Å; C57-W61 WeakPolarHBondContact O-CA 3.39Å; C57-W61 WeakPolarHBondContact O-CB 3.45Å; C57-W61 PolarHBondContact O-N 2.87Å; W61-I63 HydrophobicContact CB-CD1 3.58Å; W61-I63 HydrophobicContact CB-CG1 3.61Å; W61-I63 HydrophobicContact CG-CD1 4.19Å; W61-I63 PolarHBondContact O-N 3.37Å; W61-F79 AromaticContact CD1-CD2 3.71Å; W61-F79 AromaticContact CE2-CE2 3.94Å; W61-F79 HydrophobicContact CZ2-CE2 4.31Å; W61-F79 HydrophobicContact CZ2-CZ 4.28Å; W61-F79 AromaticContact NE1-CD2 3.21Å; W61-F79 AromaticContact NE1-CE2 3.27Å; W61-F79 VanDerWaalsContact NE1-CE2 3.27Å; W61-F79 AromaticContact NE1-CG 3.84Å; W61-F79 AromaticContact NE1-CZ 3.95Å; W61-T82 HydrophobicContact CB-CG2 4.2Å; W61-T82 HydrophobicContact CD2-CG2 3.72Å; W61-T82 HydrophobicContact CE3-CG2 4.19Å; W61-T82 HydrophobicContact CG-CG2 3.69Å; W61-Y83 AromaticContact CZ2-CD2 3.95Å; W61-Y83 HydrophobicContact CZ2-CD2 3.95Å; W61-V86 HydrophobicContact CE3-CG2 4.19Å; W61-V86 HydrophobicContact CH2-CG2 4.48Å; W61-V86 HydrophobicContact CZ3-CG2 3.99Å; W61-I90 HydrophobicContact CH2-CB 3.61Å; W61-I90 HydrophobicContact CH2-CD1 3.77Å; W61-I90 HydrophobicContact CH2-CG1 3.46Å; W61-I90 VanDerWaalsContact CH2-CG1 3.46Å; W61-I90 HydrophobicContact CZ2-CB 4.44Å; W61-I90 HydrophobicContact CZ2-CD1 3.73Å; W61-I90 HydrophobicContact CZ2-CG1 3.93Å; W61-I90 HydrophobicContact CZ3-CB 4.26Å; W61-I90 HydrophobicContact CZ3-CG1 4.12Å; W61-Y93 AromaticContact CE3-CD1 3.59Å; W61-Y93 HydrophobicContact CE3-CD1 3.59Å; W61-Y93 HydrophobicContact CE3-CE1 4.04Å; W61-Y93 AromaticContact CE3-CG 3.99Å; W61-Y93 HydrophobicContact CE3-CG 3.99Å; W61-Y93 HydrophobicContact CZ3-CD1 4.1Å; W61-Y93 HydrophobicContact CZ3-CG 4.01Å
62	L	95.5	Very high	92.1	Very high	58 Å²	58	67.1 Å²	67.1	30%	0.304	32%	0.315	S	S	.	.			trans	56	25.6	-174.8	-52.8	179.7	0	0	0	113.9	C57 K58 S64 A94 K97 K98	C57-L62 PolarHBondContact O-N 3.06Å; C57-L62 VanDerWaalsContact O-N 3.14Å; K58-L62 WeakPolarHBondContact O-CA 3.16Å; K58-L62 PolarHBondContact O-N 2.85Å; L62-S64 PolarHBondContact O-N 2.85Å; L62-A94 WeakPolarHBondContact CD1-O 3.4Å; L62-A94 HydrophobicContact CD2-CB 4.25Å; L62-A94 HydrophobicContact CG-CB 4.36Å; L62-K97 HydrophobicContact CB-CD 4.42Å; L62-K97 HydrophobicContact CD1-CB 4.11Å; L62-K97 HydrophobicContact CD1-CD 4.2Å; L62-K97 HydrophobicContact CD1-CG 4.14Å; L62-K98 HydrophobicContact CD1-CB 3.86Å
63	I	92.6	Very high	91.8	Very high	11 Å²	11	69.6 Å²	69.6	6%	0.056	33%	0.326	C	S	.	.			trans	-70.9	130	-174.9	-66.5	169.9	0	0	0	110.6	C57 K58 W61 E67 W75 L78	C57-I63 HydrophobicContact CB-CB 4.36Å; C57-I63 HydrophobicContact CB-CD1 4.42Å; C57-I63 PolarHBondContact O-N 3.21Å; K58-I63 WeakPolarHBondContact CG-O 3.43Å; W61-I63 HydrophobicContact CB-CD1 3.58Å; W61-I63 HydrophobicContact CB-CG1 3.61Å; W61-I63 HydrophobicContact CG-CD1 4.19Å; W61-I63 PolarHBondContact O-N 3.37Å; I63-E67 WeakPolarHBondContact CA-OE2 3.29Å; I63-E67 HydrophobicContact CG2-CB 4.06Å; I63-W75 HydrophobicContact CB-CZ3 4.19Å; I63-W75 HydrophobicContact CG2-CH2 4.23Å; I63-W75 HydrophobicContact CG2-CZ3 3.65Å; I63-L78 HydrophobicContact CD1-CD1 4.22Å; I63-L78 HydrophobicContact CD1-CD2 4.01Å; I63-L78 HydrophobicContact CD1-CG 3.79Å; I63-L78 HydrophobicContact CG2-CD2 3.66Å
64	S	90.7	Very high	91.7	Very high	35 Å²	35	72.5 Å²	72.5	25%	0.245	35%	0.346	C	S	.	.			trans	-87.5	168.7	179.2	90.5	0	0	0	0	112.8	L62 E66 E67 K68	L62-S64 PolarHBondContact O-N 2.85Å; S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 WeakPolarHBondContact CB-OE2 3.5Å; S64-E66 PolarHBondContact OG-N 2.91Å; S64-E66 PolarHBondContact OG-OE2 2.91Å; S64-E67 PolarHBondContact N-OE2 2.96Å; S64-E67 PolarHBondContact OG-N 2.96Å; S64-K68 PolarHBondContact O-N 3Å; S64-K68 VanDerWaalsContact O-N 3.16Å
65	E	89.2	Confident	91.7	Very high	60 Å²	60	67.5 Å²	67.5	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-67.4	-33.5	174.5	-60.2	-65.1	148.9	0	0	111.4	R54 K58 K68 T69 W75	R54-E65 IonicContact CZ-OE1 3.68Å; R54-E65 IonicContact NE-OE1 2.67Å; R54-E65 PolarHBondContact NE-OE1 3.44Å; R54-E65 IonicContact NH2-OE1 3.42Å; R54-E65 PolarHBondContact NH2-OE1 3.32Å; K58-E65 VanDerWaalsContact CE-OE1 3.28Å; K58-E65 WeakPolarHBondContact CE-OE1 3.29Å; K58-E65 IonicContact NZ-OE1 2.81Å; K58-E65 PolarHBondContact NZ-OE1 3.28Å; E65-K68 PolarHBondContact O-N 2.81Å; E65-T69 WeakPolarHBondContact O-CB 3.28Å; E65-T69 PolarHBondContact O-N 2.91Å; E65-T69 PolarHBondContact O-OG1 2.91Å; E65-W75 WeakPolarHBondContact OE1-CZ2 3.31Å; E65-W75 WeakPolarHBondContact OE2-CZ2 3.36Å
66	E	88.1	Confident	91.7	Very high	125 Å²	125	63.6 Å²	63.6	58%	0.584	31%	0.313	S	S	*	.	H	α-helix	trans	-64.2	-47.2	178.1	-57.5	77.2	-165.1	0	0	110.4	S64 K68 T69 Q70	S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 WeakPolarHBondContact CB-OE2 3.5Å; S64-E66 PolarHBondContact OG-N 2.91Å; S64-E66 PolarHBondContact OG-OE2 2.91Å; E66-K68 PolarHBondContact O-N 2.76Å; E66-T69 WeakPolarHBondContact O-CB 3Å; E66-T69 PolarHBondContact O-N 2.88Å; E66-T69 VanDerWaalsContact O-N 3.16Å; E66-Q70 WeakPolarHBondContact O-CG 3.4Å; E66-Q70 PolarHBondContact O-N 2.76Å
67	E	86.9	Confident	91.6	Very high	70 Å²	70	65.4 Å²	65.4	33%	0.327	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-42.4	176.1	-71.2	177.4	179.1	0	0	112	I63 S64 T69 Q70 K71	I63-E67 WeakPolarHBondContact CA-OE2 3.29Å; I63-E67 HydrophobicContact CG2-CB 4.06Å; S64-E67 PolarHBondContact N-OE2 2.96Å; S64-E67 PolarHBondContact OG-N 2.96Å; E67-T69 VanDerWaalsContact C-N 3.29Å; E67-T69 PolarHBondContact O-N 3.06Å; E67-Q70 PolarHBondContact O-N 2.61Å; E67-K71 PolarHBondContact O-N 2.85Å
68	K	89.4	Confident	91.5	Very high	36 Å²	36	65.4 Å²	65.4	16%	0.157	33%	0.327	C	S	.	.	H	α-helix	trans	-57.7	-45.4	173.7	-172.2	-147.9	-176	164.7	0	111	D50 S64 E65 E66 K71 N72 Q73 W75 L78	D50-K68 IonicContact OD2-NZ 2.83Å; D50-K68 PolarHBondContact OD2-NZ 2.89Å; S64-K68 PolarHBondContact O-N 3Å; S64-K68 VanDerWaalsContact O-N 3.16Å; E65-K68 PolarHBondContact O-N 2.81Å; E66-K68 PolarHBondContact O-N 2.76Å; K68-K71 PolarHBondContact O-N 3.4Å; K68-N72 PolarHBondContact O-N 2.74Å; K68-N72 VanDerWaalsContact O-N 3.09Å; K68-Q73 WeakPolarHBondContact CE-O 3.18Å; K68-Q73 WeakPolarHBondContact CG-O 3.39Å; K68-W75 HydrophobicContact CB-CH2 3.92Å; K68-W75 HydrophobicContact CB-CZ2 4.14Å; K68-W75 HydrophobicContact CB-CZ3 4.2Å; K68-W75 HydrophobicContact CD-CD2 3.95Å; K68-W75 HydrophobicContact CD-CG 4.39Å; K68-W75 HydrophobicContact CD-CH2 4.32Å; K68-W75 HydrophobicContact CD-CZ2 3.73Å; K68-W75 HydrophobicContact CG-CD2 4.28Å; K68-W75 HydrophobicContact CG-CE3 4.36Å; K68-W75 HydrophobicContact CG-CH2 4.33Å; K68-W75 HydrophobicContact CG-CZ2 4.23Å; K68-W75 HydrophobicContact CG-CZ3 4.41Å; K68-L78 HydrophobicContact CB-CD2 4.23Å; K68-L78 HydrophobicContact CG-CD2 4.21Å
69	T	89	Confident	91.6	Very high	104 Å²	104	61.7 Å²	61.7	64%	0.638	31%	0.31	S	S	*	.	H	α-helix	trans	-65.5	-40.2	-178.3	-54.9	0	0	0	0	111.1	E65 E66 E67 N72	E65-T69 WeakPolarHBondContact O-CB 3.28Å; E65-T69 PolarHBondContact O-N 2.91Å; E65-T69 PolarHBondContact O-OG1 2.91Å; E66-T69 WeakPolarHBondContact O-CB 3Å; E66-T69 PolarHBondContact O-N 2.88Å; E66-T69 VanDerWaalsContact O-N 3.16Å; E67-T69 VanDerWaalsContact C-N 3.29Å; E67-T69 PolarHBondContact O-N 3.06Å; T69-N72 PolarHBondContact O-N 3.27Å
70	Q	90.1	Very high	91.6	Very high	160 Å²	160	59.8 Å²	59.8	75%	0.748	31%	0.305	S	S	*	.	H	α-helix	trans	-63.6	-41.8	176.3	-73.5	173.7	-2.3	0	0	112.6	E66 E67 N72	E66-Q70 WeakPolarHBondContact O-CG 3.4Å; E66-Q70 PolarHBondContact O-N 2.76Å; E67-Q70 PolarHBondContact O-N 2.61Å; Q70-N72 VanDerWaalsContact C-N 3.26Å; Q70-N72 PolarHBondContact O-N 3.15Å
71	K	87.6	Confident	91.5	Very high	122 Å²	122	61.6 Å²	61.6	53%	0.53	32%	0.317	S	S	.	.	H	α-helix	trans	-75.5	-13.7	178	-70.6	-174.6	174.5	-173.1	0	113.6	E67 K68 Q73 L78	E67-K71 PolarHBondContact O-N 2.85Å; K68-K71 PolarHBondContact O-N 3.4Å; K71-Q73 VanDerWaalsContact C-N 3.27Å; K71-Q73 PolarHBondContact O-N 3.18Å; K71-L78 HydrophobicContact CD-CD1 3.49Å; K71-L78 VanDerWaalsContact CD-CD1 3.49Å
72	N	90.2	Very high	91.4	Very high	148 Å²	148	62.4 Å²	62.4	79%	0.791	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.6	-179.5	-166.6	34.8	0	0	0	113.5	K68 T69 Q70	K68-N72 PolarHBondContact O-N 2.74Å; K68-N72 VanDerWaalsContact O-N 3.09Å; T69-N72 PolarHBondContact O-N 3.27Å; Q70-N72 VanDerWaalsContact C-N 3.26Å; Q70-N72 PolarHBondContact O-N 3.15Å
73	Q	88.8	Confident	91.4	Very high	67 Å²	67	64 Å²	64	31%	0.313	33%	0.325	S	S	.	.			trans	-123.5	157.5	-178.4	-74.9	179.5	-29.3	0	0	111.6	K68 K71 D81	K68-Q73 WeakPolarHBondContact CE-O 3.18Å; K68-Q73 WeakPolarHBondContact CG-O 3.39Å; K71-Q73 VanDerWaalsContact C-N 3.27Å; K71-Q73 PolarHBondContact O-N 3.18Å; Q73-D81 PolarHBondContact NE2-OD2 3.44Å; Q73-D81 PolarHBondContact OE1-OD2 3.11Å
74	C	92.1	Very high	91.5	Very high	61 Å²	61	68.2 Å²	68.2	41%	0.412	36%	0.355	S	S	.	.			trans	-73.2	153.7	168.2	74.5	0	0	0	0	110.4	D50 K76 S77 L78	D50-C74 VanDerWaalsContact OD1-CB 3.23Å; D50-C74 WeakPolarHBondContact OD1-CB 3.21Å; C74-K76 PolarHBondContact O-N 3.48Å; C74-S77 PolarHBondContact O-N 3.4Å; C74-S77 VanDerWaalsContact SG-CB 3.58Å; C74-S77 PolarHBondContact SG-N 3.39Å; C74-S77 VanDerWaalsContact SG-N 3.37Å; C74-L78 WeakPolarHBondContact O-CB 3.29Å; C74-L78 PolarHBondContact O-N 3.29Å
75	W	94.3	Very high	91.6	Very high	5 Å²	5	70.6 Å²	70.6	2%	0.019	37%	0.365	C	S	.	.	H	α-helix	trans	-54.1	-39.8	177.9	-72.2	120.6	0	0	0	112.7	D50 W53 R54 C57 I63 E65 K68 L78 F79	D50-W75 WeakPolarHBondContact OD1-CA 3.46Å; D50-W75 VanDerWaalsContact OD1-CB 3.28Å; D50-W75 WeakPolarHBondContact OD1-CB 3.46Å; D50-W75 PolarHBondContact OD1-N 3.36Å; W53-W75 HydrophobicContact CB-CB 3.74Å; R54-W75 HydrophobicContact CB-CD2 4.07Å; R54-W75 HydrophobicContact CB-CG 3.95Å; R54-W75 HydrophobicContact CG-CD2 4.21Å; R54-W75 HydrophobicContact CG-CZ2 3.86Å; C57-W75 HydrophobicContact CB-CE3 3.5Å; C57-W75 VanDerWaalsContact CB-CE3 3.5Å; C57-W75 HydrophobicContact CB-CZ3 3.64Å; C57-W75 PolarHBondContact SG-O 2.92Å; I63-W75 HydrophobicContact CB-CZ3 4.19Å; I63-W75 HydrophobicContact CG2-CH2 4.23Å; I63-W75 HydrophobicContact CG2-CZ3 3.65Å; E65-W75 WeakPolarHBondContact OE1-CZ2 3.31Å; E65-W75 WeakPolarHBondContact OE2-CZ2 3.36Å; K68-W75 HydrophobicContact CB-CH2 3.92Å; K68-W75 HydrophobicContact CB-CZ2 4.14Å; K68-W75 HydrophobicContact CB-CZ3 4.2Å; K68-W75 HydrophobicContact CD-CD2 3.95Å; K68-W75 HydrophobicContact CD-CG 4.39Å; K68-W75 HydrophobicContact CD-CH2 4.32Å; K68-W75 HydrophobicContact CD-CZ2 3.73Å; K68-W75 HydrophobicContact CG-CD2 4.28Å; K68-W75 HydrophobicContact CG-CE3 4.36Å; K68-W75 HydrophobicContact CG-CH2 4.33Å; K68-W75 HydrophobicContact CG-CZ2 4.23Å; K68-W75 HydrophobicContact CG-CZ3 4.41Å; W75-L78 HydrophobicContact CE3-CD2 4.29Å; W75-L78 HydrophobicContact CZ3-CD2 4.32Å; W75-L78 PolarHBondContact O-N 3.24Å; W75-F79 WeakPolarHBondContact O-CB 3.29Å; W75-F79 PolarHBondContact O-N 3.09Å
76	K	92.4	Very high	91.9	Very high	40 Å²	40	68.1 Å²	68.1	17%	0.174	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-50	178.1	-177.5	174.2	-177.1	178.8	0	112.2	S48 W53 C74 L78 F79 I80	S48-K76 PolarHBondContact OG-NZ 3.04Å; W53-K76 HydrophobicContact CB-CB 4.26Å; W53-K76 HydrophobicContact CD2-CB 3.97Å; W53-K76 HydrophobicContact CD2-CD 4.48Å; W53-K76 HydrophobicContact CD2-CG 3.86Å; W53-K76 HydrophobicContact CE3-CG 4.45Å; W53-K76 HydrophobicContact CG-CB 3.68Å; W53-K76 HydrophobicContact CG-CG 4.1Å; W53-K76 HydrophobicContact CZ2-CD 4.07Å; W53-K76 HydrophobicContact CZ2-CG 4.08Å; C74-K76 PolarHBondContact O-N 3.48Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.16Å; K76-F79 PolarHBondContact O-N 3.37Å; K76-I80 HydrophobicContact CG-CD1 3.92Å; K76-I80 WeakPolarHBondContact O-CG1 3.24Å; K76-I80 PolarHBondContact O-N 2.96Å
77	S	92.1	Very high	92.2	Very high	41 Å²	41	62.4 Å²	62.4	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-47.3	177.6	-169.1	0	0	0	0	109.7	C74 F79 I80 D81	C74-S77 PolarHBondContact O-N 3.4Å; C74-S77 VanDerWaalsContact SG-CB 3.58Å; C74-S77 PolarHBondContact SG-N 3.39Å; C74-S77 VanDerWaalsContact SG-N 3.37Å; S77-F79 VanDerWaalsContact C-N 3.31Å; S77-F79 PolarHBondContact O-N 3.4Å; S77-I80 PolarHBondContact O-N 3.09Å; S77-I80 VanDerWaalsContact O-N 3.11Å; S77-D81 WeakPolarHBondContact O-CB 3.13Å; S77-D81 PolarHBondContact O-N 3.43Å; S77-D81 PolarHBondContact OG-OD2 3Å
78	L	94.1	Very high	92.7	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-38.7	-180	-175.4	56.4	0	0	0	112.6	I63 K68 K71 C74 W75 K76 T82	I63-L78 HydrophobicContact CD1-CD1 4.22Å; I63-L78 HydrophobicContact CD1-CD2 4.01Å; I63-L78 HydrophobicContact CD1-CG 3.79Å; I63-L78 HydrophobicContact CG2-CD2 3.66Å; K68-L78 HydrophobicContact CB-CD2 4.23Å; K68-L78 HydrophobicContact CG-CD2 4.21Å; K71-L78 HydrophobicContact CD-CD1 3.49Å; K71-L78 VanDerWaalsContact CD-CD1 3.49Å; C74-L78 WeakPolarHBondContact O-CB 3.29Å; C74-L78 PolarHBondContact O-N 3.29Å; W75-L78 HydrophobicContact CE3-CD2 4.29Å; W75-L78 HydrophobicContact CZ3-CD2 4.32Å; W75-L78 PolarHBondContact O-N 3.24Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.16Å; L78-T82 VanDerWaalsContact O-CB 3.3Å; L78-T82 WeakPolarHBondContact O-CB 3.44Å; L78-T82 PolarHBondContact O-N 2.96Å; L78-T82 PolarHBondContact O-OG1 2.98Å
79	F	95.1	Very high	93	Very high	1 Å²	1	62.5 Å²	62.5	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-48.6	173.7	-171.1	-89.7	0	0	0	111.3	Y30 W53 H56 C57 Y60 W61 W75 K76 S77 T82 Y83 I90	Y30-F79 HydrophobicContact CD1-CZ 4.4Å; Y30-F79 AromaticContact CD2-CE1 3.74Å; Y30-F79 HydrophobicContact CD2-CE1 3.74Å; Y30-F79 AromaticContact CD2-CZ 3.86Å; Y30-F79 HydrophobicContact CD2-CZ 3.86Å; Y30-F79 HydrophobicContact CE2-CE1 4.49Å; Y30-F79 HydrophobicContact CG-CE1 4.05Å; Y30-F79 AromaticContact CG-CZ 3.75Å; Y30-F79 HydrophobicContact CG-CZ 3.75Å; W53-F79 HydrophobicContact CE3-CB 3.84Å; W53-F79 AromaticContact CE3-CD1 3.84Å; W53-F79 HydrophobicContact CE3-CD1 3.84Å; W53-F79 HydrophobicContact CE3-CD2 4.44Å; W53-F79 AromaticContact CE3-CG 3.77Å; W53-F79 HydrophobicContact CE3-CG 3.77Å; W53-F79 HydrophobicContact CZ3-CB 4.32Å; W53-F79 AromaticContact CZ3-CD1 3.5Å; W53-F79 HydrophobicContact CZ3-CD1 3.5Å; W53-F79 AromaticContact CZ3-CE1 3.98Å; W53-F79 HydrophobicContact CZ3-CE1 3.98Å; W53-F79 AromaticContact CZ3-CG 3.95Å; W53-F79 HydrophobicContact CZ3-CG 3.95Å; H56-F79 HydrophobicContact CB-CD2 3.92Å; H56-F79 HydrophobicContact CB-CE2 3.69Å; H56-F79 HydrophobicContact CB-CZ 4.46Å; C57-F79 VanDerWaalsContact SG-CB 3.56Å; Y60-F79 HydrophobicContact CD2-CE2 4.07Å; Y60-F79 HydrophobicContact CD2-CZ 4.45Å; W61-F79 AromaticContact CD1-CD2 3.71Å; W61-F79 AromaticContact CE2-CE2 3.94Å; W61-F79 HydrophobicContact CZ2-CE2 4.31Å; W61-F79 HydrophobicContact CZ2-CZ 4.28Å; W61-F79 AromaticContact NE1-CD2 3.21Å; W61-F79 AromaticContact NE1-CE2 3.27Å; W61-F79 VanDerWaalsContact NE1-CE2 3.27Å; W61-F79 AromaticContact NE1-CG 3.84Å; W61-F79 AromaticContact NE1-CZ 3.95Å; W75-F79 WeakPolarHBondContact O-CB 3.29Å; W75-F79 PolarHBondContact O-N 3.09Å; K76-F79 PolarHBondContact O-N 3.37Å; S77-F79 VanDerWaalsContact C-N 3.31Å; S77-F79 PolarHBondContact O-N 3.4Å; F79-T82 PolarHBondContact O-N 3.1Å; F79-Y83 AromaticContact CE1-CD2 3.95Å; F79-Y83 HydrophobicContact CE1-CD2 3.95Å; F79-Y83 HydrophobicContact CZ-CD2 4.3Å; F79-Y83 WeakPolarHBondContact O-CB 3.49Å; F79-Y83 PolarHBondContact O-N 2.63Å; F79-I90 HydrophobicContact CZ-CD1 4.11Å
80	I	93.5	Very high	93.4	Very high	80 Å²	80	57.9 Å²	57.9	41%	0.41	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-44.8	-177.6	-67.3	169	0	0	0	110.9	K76 S77 T82 Y83 S84	K76-I80 HydrophobicContact CG-CD1 3.92Å; K76-I80 WeakPolarHBondContact O-CG1 3.24Å; K76-I80 PolarHBondContact O-N 2.96Å; S77-I80 PolarHBondContact O-N 3.09Å; S77-I80 VanDerWaalsContact O-N 3.11Å; I80-T82 VanDerWaalsContact C-N 3.3Å; I80-T82 PolarHBondContact O-N 3.42Å; I80-Y83 PolarHBondContact O-N 3.4Å; I80-S84 PolarHBondContact O-N 2.79Å
81	D	93.7	Very high	93.6	Very high	67 Å²	67	56.1 Å²	56.1	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-34.7	178.8	-64.4	-19.7	0	0	0	111.5	Q73 S77 S84	Q73-D81 PolarHBondContact NE2-OD2 3.44Å; Q73-D81 PolarHBondContact OE1-OD2 3.11Å; S77-D81 WeakPolarHBondContact O-CB 3.13Å; S77-D81 PolarHBondContact O-N 3.43Å; S77-D81 PolarHBondContact OG-OD2 3Å; D81-S84 PolarHBondContact O-OG 3.48Å
82	T	94.3	Very high	94	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.117	28%	0.28	C	S	.	.	H	α-helix	trans	-75.2	-38.1	174	-51.6	0	0	0	0	110.9	W61 L78 F79 I80 S84 D85 V86	W61-T82 HydrophobicContact CB-CG2 4.2Å; W61-T82 HydrophobicContact CD2-CG2 3.72Å; W61-T82 HydrophobicContact CE3-CG2 4.19Å; W61-T82 HydrophobicContact CG-CG2 3.69Å; L78-T82 VanDerWaalsContact O-CB 3.3Å; L78-T82 WeakPolarHBondContact O-CB 3.44Å; L78-T82 PolarHBondContact O-N 2.96Å; L78-T82 PolarHBondContact O-OG1 2.98Å; F79-T82 PolarHBondContact O-N 3.1Å; I80-T82 VanDerWaalsContact C-N 3.3Å; I80-T82 PolarHBondContact O-N 3.42Å; T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 2.67Å; T82-D85 PolarHBondContact O-N 3.42Å; T82-V86 HydrophobicContact CG2-CG2 3.64Å; T82-V86 VanDerWaalsContact O-CG2 3.31Å; T82-V86 WeakPolarHBondContact O-CG2 3.4Å; T82-V86 PolarHBondContact O-N 2.81Å
83	Y	95.8	Very high	94.3	Very high	92 Å²	92	47.9 Å²	47.9	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-65.1	-33.8	177.4	-168.6	-78.6	0	0	0	112	Y30 W61 F79 I80 D85 G87 I90	Y30-Y83 HydrophobicContact CD2-CE2 4.43Å; Y30-Y83 HydrophobicContact CE2-CD2 4.24Å; Y30-Y83 AromaticContact CE2-CE2 3.53Å; Y30-Y83 HydrophobicContact CE2-CE2 3.53Å; Y30-Y83 AromaticContact CZ-CE2 3.89Å; W61-Y83 AromaticContact CZ2-CD2 3.95Å; W61-Y83 HydrophobicContact CZ2-CD2 3.95Å; F79-Y83 AromaticContact CE1-CD2 3.95Å; F79-Y83 HydrophobicContact CE1-CD2 3.95Å; F79-Y83 HydrophobicContact CZ-CD2 4.3Å; F79-Y83 WeakPolarHBondContact O-CB 3.49Å; F79-Y83 PolarHBondContact O-N 2.63Å; I80-Y83 PolarHBondContact O-N 3.4Å; Y83-D85 PolarHBondContact O-N 2.8Å; Y83-G87 WeakPolarHBondContact O-CA 3.36Å; Y83-G87 PolarHBondContact O-N 2.87Å; Y83-I90 HydrophobicContact CD2-CD1 3.93Å; Y83-I90 HydrophobicContact CE2-CD1 3.72Å
84	S	94.5	Very high	94.7	Very high	98 Å²	98	45.8 Å²	45.8	69%	0.685	24%	0.243	S	C	*	.	H	α-helix	trans	-67.3	-26.4	177	59	0	0	0	0	113.2	I80 D81 T82	I80-S84 PolarHBondContact O-N 2.79Å; D81-S84 PolarHBondContact O-OG 3.48Å; T82-S84 VanDerWaalsContact C-N 3.32Å; T82-S84 PolarHBondContact O-N 2.67Å
85	D	93	Very high	95	Very high	86 Å²	86	45.2 Å²	45.2	46%	0.46	24%	0.243	S	C	.	.	H	α-helix	trans	-91.8	-54.7	178.7	-179.2	24.8	0	0	0	112.7	T82 Y83 R147	T82-D85 PolarHBondContact O-N 3.42Å; Y83-D85 PolarHBondContact O-N 2.8Å; D85-R147 PolarHBondContact O-NH1 3.02Å; D85-R147 IonicContact OD1-CZ 3.02Å; D85-R147 IonicContact OD1-NH1 3.79Å; D85-R147 PolarHBondContact OD1-NH1 3.39Å; D85-R147 IonicContact OD1-NH2 2.72Å; D85-R147 PolarHBondContact OD1-NH2 2.97Å; D85-R147 IonicContact OD2-NH2 3.37Å; D85-R147 PolarHBondContact OD2-NH2 3.28Å
86	V	94.9	Very high	95.2	Very high	7 Å²	7	45 Å²	45	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-115.9	10.4	-173.3	-62.2	0	0	0	0	113.6	W61 T82 R88 Y89 Y93	W61-V86 HydrophobicContact CE3-CG2 4.19Å; W61-V86 HydrophobicContact CH2-CG2 4.48Å; W61-V86 HydrophobicContact CZ3-CG2 3.99Å; T82-V86 HydrophobicContact CG2-CG2 3.64Å; T82-V86 VanDerWaalsContact O-CG2 3.31Å; T82-V86 WeakPolarHBondContact O-CG2 3.4Å; T82-V86 PolarHBondContact O-N 2.81Å; V86-R88 PolarHBondContact O-N 2.83Å; V86-R88 VanDerWaalsContact O-N 3.17Å; V86-Y89 HydrophobicContact CB-CD2 4.24Å; V86-Y89 PolarHBondContact O-N 2.95Å; V86-Y93 HydrophobicContact CB-CD2 4.12Å; V86-Y93 HydrophobicContact CB-CE2 4.07Å; V86-Y93 HydrophobicContact CG1-CE2 4.1Å; V86-Y93 HydrophobicContact CG2-CD2 4.11Å; V86-Y93 HydrophobicContact CG2-CE2 3.9Å
87	G	95.4	Very high	95.5	Very high	5 Å²	5	44.6 Å²	44.6	5%	0.052	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.7	-25.5	-178.2	0	0	0	0	0	114.5	Y83 Y89 I90	Y83-G87 WeakPolarHBondContact O-CA 3.36Å; Y83-G87 PolarHBondContact O-N 2.87Å; G87-Y89 PolarHBondContact O-N 3.2Å; G87-I90 WeakPolarHBondContact O-CB 3.42Å; G87-I90 PolarHBondContact O-N 3.45Å
88	R	95.5	Very high	95.8	Very high	107 Å²	107	48 Å²	48	40%	0.404	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-53.5	-34.2	170.2	179.2	176	174.5	175.2	-3.2	111.9	V86 E131 D140 R143	V86-R88 PolarHBondContact O-N 2.83Å; V86-R88 VanDerWaalsContact O-N 3.17Å; R88-E131 IonicContact NH2-OE1 3.44Å; R88-D140 IonicContact CZ-OD1 2.61Å; R88-D140 VanDerWaalsContact CZ-OD1 3.23Å; R88-D140 IonicContact NE-OD1 3.97Å; R88-D140 PolarHBondContact NE-OD1 2.87Å; R88-D140 IonicContact NH2-OD1 2.78Å; R88-D140 PolarHBondContact NH2-OD1 2.77Å; R88-R143 VanDerWaalsContact NH1-CZ 3.3Å
89	Y	97.1	Very high	96	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-102.2	15.7	-172.9	-46.6	-59.6	0	0	0	113.6	V86 G87 D91 H92 Y93 E124 D140 R143 C144 R147	V86-Y89 HydrophobicContact CB-CD2 4.24Å; V86-Y89 PolarHBondContact O-N 2.95Å; G87-Y89 PolarHBondContact O-N 3.2Å; Y89-D91 PolarHBondContact O-N 3.49Å; Y89-H92 PolarHBondContact O-N 2.9Å; Y89-Y93 WeakPolarHBondContact O-CB 3.26Å; Y89-Y93 PolarHBondContact O-N 2.66Å; Y89-E124 WeakPolarHBondContact CE2-OE1 3.33Å; Y89-E124 VanDerWaalsContact CZ-OE1 3.28Å; Y89-E124 PolarHBondContact OH-OE1 3.29Å; Y89-E124 PolarHBondContact OH-OE2 2.81Å; Y89-D140 HydrophobicContact CD1-CB 4.12Å; Y89-D140 WeakPolarHBondContact CD1-O 3.42Å; Y89-D140 HydrophobicContact CE1-CB 4.39Å; Y89-D140 WeakPolarHBondContact CE1-O 3.13Å; Y89-R143 HydrophobicContact CD1-CB 4.46Å; Y89-R143 HydrophobicContact CE1-CB 3.51Å; Y89-R143 PolarHBondContact OH-NE 3.41Å; Y89-C144 HydrophobicContact CD1-CB 3.83Å; Y89-C144 HydrophobicContact CD2-CB 4.3Å; Y89-C144 HydrophobicContact CG-CB 3.65Å; Y89-R147 HydrophobicContact CD2-CG 4.46Å; Y89-R147 HydrophobicContact CE2-CG 3.74Å
90	I	96.1	Very high	96.1	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-52.8	-33.4	-169.7	-168.9	161.4	0	0	0	114.2	Y30 Y60 W61 F79 Y83 G87	Y30-I90 HydrophobicContact CD1-CD1 4.21Å; Y30-I90 HydrophobicContact CE1-CD1 3.68Å; Y30-I90 HydrophobicContact CE2-CD1 4.25Å; Y60-I90 HydrophobicContact CD1-CD1 3.97Å; Y60-I90 HydrophobicContact CD1-CG1 3.42Å; Y60-I90 VanDerWaalsContact CD1-CG1 3.42Å; Y60-I90 HydrophobicContact CD2-CD1 4.39Å; Y60-I90 HydrophobicContact CE1-CD1 4.34Å; Y60-I90 HydrophobicContact CE1-CG1 3.98Å; Y60-I90 HydrophobicContact CG-CD1 3.99Å; Y60-I90 HydrophobicContact CG-CG1 3.81Å; W61-I90 HydrophobicContact CH2-CB 3.61Å; W61-I90 HydrophobicContact CH2-CD1 3.77Å; W61-I90 HydrophobicContact CH2-CG1 3.46Å; W61-I90 VanDerWaalsContact CH2-CG1 3.46Å; W61-I90 HydrophobicContact CZ2-CB 4.44Å; W61-I90 HydrophobicContact CZ2-CD1 3.73Å; W61-I90 HydrophobicContact CZ2-CG1 3.93Å; W61-I90 HydrophobicContact CZ3-CB 4.26Å; W61-I90 HydrophobicContact CZ3-CG1 4.12Å; F79-I90 HydrophobicContact CZ-CD1 4.11Å; Y83-I90 HydrophobicContact CD2-CD1 3.93Å; Y83-I90 HydrophobicContact CE2-CD1 3.72Å; G87-I90 WeakPolarHBondContact O-CB 3.42Å; G87-I90 PolarHBondContact O-N 3.45Å
91	D	95.1	Very high	96.3	Very high	122 Å²	122	46.9 Å²	46.9	65%	0.652	25%	0.246	S	C	*	.	H	α-helix	trans	-79.3	-17.4	-178	-64	-40.6	0	0	0	113.2	Y89	Y89-D91 PolarHBondContact O-N 3.49Å
92	H	96.1	Very high	96.6	Very high	61 Å²	61	46.1 Å²	46.1	28%	0.282	24%	0.242	S	C	.	.	H	α-helix	trans	-111.9	-30.3	-177.3	-56.8	-69.2	0	0	0	113.2	Y89 A94 A95 I96 D141 C144	Y89-H92 PolarHBondContact O-N 2.9Å; H92-A94 PolarHBondContact O-N 3.48Å; H92-A95 PolarHBondContact O-N 2.87Å; H92-A95 VanDerWaalsContact O-N 3.17Å; H92-I96 HydrophobicContact CB-CD1 3.97Å; H92-I96 PolarHBondContact O-N 3.01Å; H92-I96 VanDerWaalsContact O-N 3.11Å; H92-D141 HydrophobicContact CB-CB 4.14Å; H92-C144 HydrophobicContact CB-CB 4.48Å
93	Y	97.4	Very high	96.8	Very high	36 Å²	36	45.3 Å²	45.3	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-55.6	-49.2	-166.3	-173.7	-89	0	0	0	113.5	Y60 W61 V86 Y89 A95 I96 K97 C144 I148	Y60-Y93 WeakPolarHBondContact O-CD1 3.48Å; W61-Y93 AromaticContact CE3-CD1 3.59Å; W61-Y93 HydrophobicContact CE3-CD1 3.59Å; W61-Y93 HydrophobicContact CE3-CE1 4.04Å; W61-Y93 AromaticContact CE3-CG 3.99Å; W61-Y93 HydrophobicContact CE3-CG 3.99Å; W61-Y93 HydrophobicContact CZ3-CD1 4.1Å; W61-Y93 HydrophobicContact CZ3-CG 4.01Å; V86-Y93 HydrophobicContact CB-CD2 4.12Å; V86-Y93 HydrophobicContact CB-CE2 4.07Å; V86-Y93 HydrophobicContact CG1-CE2 4.1Å; V86-Y93 HydrophobicContact CG2-CD2 4.11Å; V86-Y93 HydrophobicContact CG2-CE2 3.9Å; Y89-Y93 WeakPolarHBondContact O-CB 3.26Å; Y89-Y93 PolarHBondContact O-N 2.66Å; Y93-A95 VanDerWaalsContact C-N 3.35Å; Y93-A95 PolarHBondContact O-N 3.36Å; Y93-I96 PolarHBondContact O-N 3.19Å; Y93-K97 HydrophobicContact CD1-CB 4.37Å; Y93-K97 HydrophobicContact CD1-CD 4.36Å; Y93-K97 HydrophobicContact CE1-CB 4.22Å; Y93-K97 HydrophobicContact CE1-CD 3.51Å; Y93-K97 HydrophobicContact CE1-CG 4.44Å; Y93-K97 WeakPolarHBondContact O-CB 3.34Å; Y93-K97 PolarHBondContact O-N 3.4Å; Y93-C144 VanDerWaalsContact CA-SG 3.5Å; Y93-I148 HydrophobicContact CE2-CD1 4.35Å; Y93-I148 HydrophobicContact CE2-CG1 4.31Å
94	A	97.3	Very high	96.8	Very high	23 Å²	23	43.5 Å²	43.5	19%	0.19	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-43.4	-178.3	0	0	0	0	0	112.3	K59 L62 H92 K98	K59-A94 WeakPolarHBondContact O-CB 3.27Å; L62-A94 WeakPolarHBondContact CD1-O 3.4Å; L62-A94 HydrophobicContact CD2-CB 4.25Å; L62-A94 HydrophobicContact CG-CB 4.36Å; H92-A94 PolarHBondContact O-N 3.48Å; A94-K98 WeakPolarHBondContact O-CB 3.15Å; A94-K98 PolarHBondContact O-N 3.09Å
95	A	97.9	Very high	97	Very high	49 Å²	49	46.3 Å²	46.3	41%	0.405	23%	0.23	S	C	.	.	H	α-helix	trans	-66.7	-47	-178.7	0	0	0	0	0	111.3	H92 Y93 A99 T246	H92-A95 PolarHBondContact O-N 2.87Å; H92-A95 VanDerWaalsContact O-N 3.17Å; Y93-A95 VanDerWaalsContact C-N 3.35Å; Y93-A95 PolarHBondContact O-N 3.36Å; A95-A99 PolarHBondContact O-N 3.14Å; A95-T246 HydrophobicContact CB-CG2 4.37Å
96	I	98.3	Very high	97.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-44.4	-177.7	-64.7	176.6	0	0	0	111.3	H92 Y93 K98 A99 W100 D141 C144 I148 T246	H92-I96 HydrophobicContact CB-CD1 3.97Å; H92-I96 PolarHBondContact O-N 3.01Å; H92-I96 VanDerWaalsContact O-N 3.11Å; Y93-I96 PolarHBondContact O-N 3.19Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.12Å; I96-A99 PolarHBondContact O-N 3.06Å; I96-W100 PolarHBondContact O-N 3.25Å; I96-D141 HydrophobicContact CD1-CB 3.98Å; I96-D141 VanDerWaalsContact CD1-O 3.23Å; I96-D141 WeakPolarHBondContact CD1-O 3.32Å; I96-C144 HydrophobicContact CD1-CB 4.05Å; I96-I148 HydrophobicContact CB-CD1 4.47Å; I96-I148 HydrophobicContact CG2-CD1 3.88Å; I96-T246 HydrophobicContact CG1-CG2 4.18Å
97	K	97.9	Very high	97.3	Very high	33 Å²	33	44 Å²	44	14%	0.143	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-45.8	175.7	-176.7	179.4	-172.8	-56.6	0	111.1	L62 Y93 A99 W100 D101 I148	L62-K97 HydrophobicContact CB-CD 4.42Å; L62-K97 HydrophobicContact CD1-CB 4.11Å; L62-K97 HydrophobicContact CD1-CD 4.2Å; L62-K97 HydrophobicContact CD1-CG 4.14Å; Y93-K97 HydrophobicContact CD1-CB 4.37Å; Y93-K97 HydrophobicContact CD1-CD 4.36Å; Y93-K97 HydrophobicContact CE1-CB 4.22Å; Y93-K97 HydrophobicContact CE1-CD 3.51Å; Y93-K97 HydrophobicContact CE1-CG 4.44Å; Y93-K97 WeakPolarHBondContact O-CB 3.34Å; Y93-K97 PolarHBondContact O-N 3.4Å; K97-A99 VanDerWaalsContact C-N 3.31Å; K97-A99 PolarHBondContact O-N 3.22Å; K97-W100 PolarHBondContact O-N 3.48Å; K97-D101 IonicContact NZ-OD2 3.99Å; K97-D101 PolarHBondContact NZ-OD2 2.83Å; K97-D101 WeakPolarHBondContact O-CB 3.48Å; K97-D101 PolarHBondContact O-N 3.07Å; K97-I148 HydrophobicContact CB-CD1 3.91Å
98	K	98.1	Very high	97.3	Very high	112 Å²	112	50 Å²	50	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-44.9	175.9	-175.4	-179.5	179.3	-60.8	0	111.2	L62 A94 I96 D101 D102	L62-K98 HydrophobicContact CD1-CB 3.86Å; A94-K98 WeakPolarHBondContact O-CB 3.15Å; A94-K98 PolarHBondContact O-N 3.09Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.12Å; K98-D101 PolarHBondContact O-N 3.38Å; K98-D102 IonicContact NZ-OD2 3.62Å; K98-D102 PolarHBondContact NZ-OD2 3.26Å; K98-D102 WeakPolarHBondContact O-CB 3.46Å; K98-D102 VanDerWaalsContact O-CG 3.24Å; K98-D102 PolarHBondContact O-N 3.3Å
99	A	98.6	Very high	97.3	Very high	7 Å²	7	49.6 Å²	49.6	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-45.4	178.3	0	0	0	0	0	112	A95 I96 K97 D101 D102 L103 F249 T250 V253	A95-A99 PolarHBondContact O-N 3.14Å; I96-A99 PolarHBondContact O-N 3.06Å; K97-A99 VanDerWaalsContact C-N 3.31Å; K97-A99 PolarHBondContact O-N 3.22Å; A99-D101 PolarHBondContact O-N 2.95Å; A99-D102 PolarHBondContact O-N 3.42Å; A99-L103 WeakPolarHBondContact O-CB 3.47Å; A99-L103 PolarHBondContact O-N 2.99Å; A99-F249 HydrophobicContact CB-CD1 4.17Å; A99-F249 HydrophobicContact CB-CE1 4.04Å; A99-T250 HydrophobicContact CB-CG2 4.01Å; A99-V253 HydrophobicContact CB-CB 4.21Å; A99-V253 HydrophobicContact CB-CG1 4.2Å; A99-V253 HydrophobicContact CB-CG2 4.13Å; A99-V253 WeakPolarHBondContact O-CG1 3.46Å
100	W	98.4	Very high	97.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-44.3	174.7	-83.1	118.3	0	0	0	113.1	I96 K97 L103 K104 L118 S145 I148 H149 L159 L174 F249	I96-W100 PolarHBondContact O-N 3.25Å; K97-W100 PolarHBondContact O-N 3.48Å; W100-L103 HydrophobicContact CE3-CD2 4.19Å; W100-L103 HydrophobicContact CZ3-CD2 4.04Å; W100-L103 PolarHBondContact O-N 3.16Å; W100-K104 WeakPolarHBondContact O-CB 3.33Å; W100-K104 WeakPolarHBondContact O-CE 3.49Å; W100-K104 WeakPolarHBondContact O-CG 3.17Å; W100-K104 PolarHBondContact O-N 2.97Å; W100-L118 HydrophobicContact CH2-CD2 4.41Å; W100-L118 HydrophobicContact CZ3-CD1 4.21Å; W100-L118 HydrophobicContact CZ3-CD2 3.98Å; W100-S145 PolarHBondContact NE1-OG 3.49Å; W100-I148 HydrophobicContact CB-CG2 4.15Å; W100-I148 HydrophobicContact CG-CG2 4.07Å; W100-H149 HydrophobicContact CD2-CB 4.26Å; W100-H149 AromaticContact CD2-CD2 3.6Å; W100-H149 HydrophobicContact CE3-CB 4.37Å; W100-H149 AromaticContact CE3-CD2 3.63Å; W100-H149 AromaticContact CG-CD2 3.82Å; W100-H149 HydrophobicContact CH2-CB 4.1Å; W100-H149 HydrophobicContact CZ2-CB 3.96Å; W100-H149 HydrophobicContact CZ3-CB 4.3Å; W100-L159 HydrophobicContact CH2-CD2 3.78Å; W100-L159 HydrophobicContact CZ3-CD2 3.87Å; W100-L174 HydrophobicContact CH2-CD2 3.7Å; W100-L174 HydrophobicContact CZ2-CD2 3.89Å; W100-F249 AromaticContact CD1-CE1 3.86Å; W100-F249 AromaticContact CD2-CE1 3.73Å; W100-F249 HydrophobicContact CD2-CE1 3.73Å; W100-F249 AromaticContact CD2-CZ 3.53Å; W100-F249 HydrophobicContact CD2-CZ 3.53Å; W100-F249 AromaticContact CE2-CE1 3.53Å; W100-F249 AromaticContact CE2-CZ 3.35Å; W100-F249 HydrophobicContact CE3-CE1 4.36Å; W100-F249 AromaticContact CE3-CZ 3.74Å; W100-F249 HydrophobicContact CE3-CZ 3.74Å; W100-F249 AromaticContact CG-CE1 3.95Å; W100-F249 HydrophobicContact CG-CE1 3.95Å; W100-F249 HydrophobicContact CG-CZ 4.23Å; W100-F249 AromaticContact CH2-CE2 3.96Å; W100-F249 HydrophobicContact CH2-CE2 3.96Å; W100-F249 AromaticContact CH2-CZ 3.63Å; W100-F249 HydrophobicContact CH2-CZ 3.63Å; W100-F249 HydrophobicContact CZ2-CE1 4.01Å; W100-F249 AromaticContact CZ2-CE2 3.89Å; W100-F249 HydrophobicContact CZ2-CE2 3.89Å; W100-F249 AromaticContact CZ2-CZ 3.42Å; W100-F249 HydrophobicContact CZ2-CZ 3.42Å; W100-F249 VanDerWaalsContact CZ2-CZ 3.42Å; W100-F249 HydrophobicContact CZ3-CE2 4.4Å; W100-F249 AromaticContact CZ3-CZ 3.79Å; W100-F249 HydrophobicContact CZ3-CZ 3.79Å; W100-F249 AromaticContact NE1-CE1 3.6Å; W100-F249 AromaticContact NE1-CZ 3.94Å
101	D	97.9	Very high	97.2	Very high	52 Å²	52	54.2 Å²	54.2	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-66.4	-42.8	179.9	-71.3	-22.3	0	0	0	111.7	K97 K98 A99 K104 K105	K97-D101 IonicContact NZ-OD2 3.99Å; K97-D101 PolarHBondContact NZ-OD2 2.83Å; K97-D101 WeakPolarHBondContact O-CB 3.48Å; K97-D101 PolarHBondContact O-N 3.07Å; K98-D101 PolarHBondContact O-N 3.38Å; A99-D101 PolarHBondContact O-N 2.95Å; D101-K104 IonicContact OD1-NZ 3.77Å; D101-K104 PolarHBondContact OD1-NZ 3.11Å; D101-K105 WeakPolarHBondContact O-CB 3.4Å; D101-K105 PolarHBondContact O-N 3.26Å
102	D	98.3	Very high	97.1	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-44.9	175.3	-73.3	-20.8	0	0	0	111.2	K98 A99 K105 Y106 V253 V257	K98-D102 IonicContact NZ-OD2 3.62Å; K98-D102 PolarHBondContact NZ-OD2 3.26Å; K98-D102 WeakPolarHBondContact O-CB 3.46Å; K98-D102 VanDerWaalsContact O-CG 3.24Å; K98-D102 PolarHBondContact O-N 3.3Å; A99-D102 PolarHBondContact O-N 3.42Å; D102-K105 PolarHBondContact O-N 3.22Å; D102-Y106 VanDerWaalsContact O-CB 3.26Å; D102-Y106 WeakPolarHBondContact O-CB 3.36Å; D102-Y106 PolarHBondContact O-N 3.29Å; D102-V253 HydrophobicContact CB-CG1 4.41Å; D102-V257 HydrophobicContact CB-CG2 4.27Å
103	L	98.2	Very high	97	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-52.4	178.4	-175.3	63.8	0	0	0	110.9	A99 W100 K105 Y106 L107 L159 F249 V253 V256	A99-L103 WeakPolarHBondContact O-CB 3.47Å; A99-L103 PolarHBondContact O-N 2.99Å; W100-L103 HydrophobicContact CE3-CD2 4.19Å; W100-L103 HydrophobicContact CZ3-CD2 4.04Å; W100-L103 PolarHBondContact O-N 3.16Å; L103-K105 PolarHBondContact O-N 2.98Å; L103-Y106 PolarHBondContact O-N 2.85Å; L103-L107 HydrophobicContact CD1-CD1 3.63Å; L103-L107 HydrophobicContact CD1-CG 4.06Å; L103-L107 HydrophobicContact CD2-CD1 4.46Å; L103-L107 HydrophobicContact CG-CD1 3.71Å; L103-L107 HydrophobicContact CG-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 VanDerWaalsContact O-CG 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.1Å; L103-L159 HydrophobicContact CD2-CD1 4.04Å; L103-L159 HydrophobicContact CD2-CD2 4.44Å; L103-F249 HydrophobicContact CD2-CE2 4.39Å; L103-F249 HydrophobicContact CD2-CZ 4.04Å; L103-V253 HydrophobicContact CB-CG1 4.01Å; L103-V253 HydrophobicContact CB-CG2 3.99Å; L103-V253 HydrophobicContact CD1-CG2 4.27Å; L103-V253 HydrophobicContact CD2-CG2 3.96Å; L103-V253 HydrophobicContact CG-CG2 4.28Å; L103-V256 HydrophobicContact CD1-CB 4.2Å; L103-V256 HydrophobicContact CD1-CG1 3.93Å; L103-V256 HydrophobicContact CD1-CG2 4.46Å
104	K	97.6	Very high	96.8	Very high	54 Å²	54	56.7 Å²	56.7	24%	0.235	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-49.7	177.6	-75.6	-178.4	-56.8	-164.1	0	111.5	W100 D101 Y106 L107 E108 L118 H149	W100-K104 WeakPolarHBondContact O-CB 3.33Å; W100-K104 WeakPolarHBondContact O-CE 3.49Å; W100-K104 WeakPolarHBondContact O-CG 3.17Å; W100-K104 PolarHBondContact O-N 2.97Å; D101-K104 IonicContact OD1-NZ 3.77Å; D101-K104 PolarHBondContact OD1-NZ 3.11Å; K104-Y106 PolarHBondContact O-N 3.33Å; K104-L107 PolarHBondContact O-N 3Å; K104-E108 VanDerWaalsContact O-CB 3.29Å; K104-E108 WeakPolarHBondContact O-CB 3.29Å; K104-E108 PolarHBondContact O-N 3.29Å; K104-L118 HydrophobicContact CD-CD1 4.35Å; K104-L118 HydrophobicContact CG-CD1 3.96Å; K104-H149 WeakPolarHBondContact CD-NE2 3.46Å; K104-H149 PolarHBondContact NZ-NE2 2.93Å; K104-H149 VanDerWaalsContact NZ-NE2 3.16Å
105	K	97.6	Very high	96.8	Very high	158 Å²	158	57.1 Å²	57.1	69%	0.687	28%	0.276	S	S	*	.	H	α-helix	trans	-59.6	-37.3	-179.9	-178.5	-179.9	179	-179.1	0	112.1	D101 D102 L103 P109	D101-K105 WeakPolarHBondContact O-CB 3.4Å; D101-K105 PolarHBondContact O-N 3.26Å; D102-K105 PolarHBondContact O-N 3.22Å; L103-K105 PolarHBondContact O-N 2.98Å; K105-P109 WeakPolarHBondContact O-CD 3.3Å
106	Y	97.3	Very high	96.7	Very high	42 Å²	42	61.3 Å²	61.3	17%	0.165	29%	0.291	C	S	.	.	H	α-helix	trans	-72.7	-39.9	178.2	-172.9	-96.8	0	0	0	112.4	D102 L103 K104 R110 V256 V257 I263	D102-Y106 VanDerWaalsContact O-CB 3.26Å; D102-Y106 WeakPolarHBondContact O-CB 3.36Å; D102-Y106 PolarHBondContact O-N 3.29Å; L103-Y106 PolarHBondContact O-N 2.85Å; K104-Y106 PolarHBondContact O-N 3.33Å; Y106-R110 WeakPolarHBondContact O-CD 3.4Å; Y106-R110 PolarHBondContact O-NH1 3.37Å; Y106-V256 HydrophobicContact CD1-CG1 3.85Å; Y106-V256 HydrophobicContact CE1-CG1 3.98Å; Y106-V256 VanDerWaalsContact CE1-O 3.29Å; Y106-V256 WeakPolarHBondContact CE1-O 3.17Å; Y106-V257 HydrophobicContact CD2-CB 4.38Å; Y106-V257 HydrophobicContact CD2-CG1 4.09Å; Y106-V257 WeakPolarHBondContact CE2-O 3.48Å; Y106-V257 HydrophobicContact CG-CB 4.41Å; Y106-V257 HydrophobicContact CG-CG1 4.45Å; Y106-V257 HydrophobicContact CG-CG2 4.13Å; Y106-I263 HydrophobicContact CD1-CD1 4.12Å; Y106-I263 HydrophobicContact CE1-CD1 3.52Å
107	L	96.6	Very high	96.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-83.1	-28.5	-176.2	-65.7	177.1	0	0	0	114	L103 K104 R110 C111 M114 V115 L159 V256 I263 I268	L103-L107 HydrophobicContact CD1-CD1 3.63Å; L103-L107 HydrophobicContact CD1-CG 4.06Å; L103-L107 HydrophobicContact CD2-CD1 4.46Å; L103-L107 HydrophobicContact CG-CD1 3.71Å; L103-L107 HydrophobicContact CG-CG 4.39Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 VanDerWaalsContact O-CG 3.22Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.1Å; K104-L107 PolarHBondContact O-N 3Å; L107-R110 PolarHBondContact O-N 3.09Å; L107-C111 HydrophobicContact CB-CB 4.4Å; L107-C111 HydrophobicContact CD2-CB 4.15Å; L107-C111 CarbonylContact O-C 3.48Å; L107-C111 WeakPolarHBondContact O-CA 3.37Å; L107-C111 PolarHBondContact O-N 3.08Å; L107-M114 HydrophobicContact CD1-CE 3.33Å; L107-M114 HydrophobicContact CD2-CE 3.49Å; L107-M114 VanDerWaalsContact CD2-CE 3.49Å; L107-M114 HydrophobicContact CG-CE 3.95Å; L107-V115 HydrophobicContact CB-CG2 3.66Å; L107-L159 HydrophobicContact CD1-CD1 3.99Å; L107-V256 HydrophobicContact CD2-CG1 4.18Å; L107-I263 HydrophobicContact CD2-CD1 3.9Å; L107-I268 HydrophobicContact CD2-CD1 3.98Å; L107-I268 HydrophobicContact CD2-CG1 4.28Å
108	E	96.1	Very high	96.6	Very high	132 Å²	132	61.2 Å²	61.2	62%	0.617	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-46.9	-177.6	-176.2	169.2	-149.3	0	0	113.5	K104 R110	K104-E108 VanDerWaalsContact O-CB 3.29Å; K104-E108 WeakPolarHBondContact O-CB 3.29Å; K104-E108 PolarHBondContact O-N 3.29Å; E108-R110 PolarHBondContact O-N 3.43Å
109	P	96	Very high	96.6	Very high	98 Å²	98	58.7 Å²	58.7	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-9	175.6	30.8	-35.4	0	0	0	115	K105	K105-P109 WeakPolarHBondContact O-CD 3.3Å
110	R	95	Very high	96.5	Very high	104 Å²	104	66.9 Å²	66.9	39%	0.392	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-35.2	-170	-64.5	178.9	179.1	75.9	0.6	114.4	Y106 L107 E108 I263	Y106-R110 WeakPolarHBondContact O-CD 3.4Å; Y106-R110 PolarHBondContact O-NH1 3.37Å; L107-R110 PolarHBondContact O-N 3.09Å; E108-R110 PolarHBondContact O-N 3.43Å; R110-I263 HydrophobicContact CB-CD1 3.84Å; R110-I263 HydrophobicContact CG-CD1 4.36Å
111	C	94.8	Very high	96.5	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.014	34%	0.336	C	S	.	.			trans	-144.2	57.5	-173.5	-61.9	0	0	0	0	110.2	L107 R113 M114 V115 D266	L107-C111 HydrophobicContact CB-CB 4.4Å; L107-C111 HydrophobicContact CD2-CB 4.15Å; L107-C111 CarbonylContact O-C 3.48Å; L107-C111 WeakPolarHBondContact O-CA 3.37Å; L107-C111 PolarHBondContact O-N 3.08Å; C111-R113 VanDerWaalsContact C-N 3.26Å; C111-R113 PolarHBondContact O-N 2.64Å; C111-M114 HydrophobicContact CB-CB 4.15Å; C111-M114 HydrophobicContact CB-CE 3.83Å; C111-M114 WeakPolarHBondContact O-CB 3.19Å; C111-M114 PolarHBondContact O-N 3.21Å; C111-V115 PolarHBondContact O-N 3.13Å; C111-D266 PolarHBondContact SG-O 3.32Å
112	P	94.1	Very high	96.5	Very high	66 Å²	66	66.3 Å²	66.3	43%	0.429	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-33.1	-171.5	22.9	-34	0	0	0	113.2	M114 V115 L116	P112-M114 PolarHBondContact O-N 2.78Å; P112-V115 PolarHBondContact O-N 2.8Å; P112-L116 VanDerWaalsContact O-CG 3.32Å; P112-L116 WeakPolarHBondContact O-CG 3.37Å; P112-L116 PolarHBondContact O-N 3.48Å
113	R	93.1	Very high	96.4	Very high	202 Å²	202	71 Å²	71	76%	0.762	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-33.6	177.3	-63.7	-175	75	177.2	1.7	112.7	C111 L116 S117	C111-R113 VanDerWaalsContact C-N 3.26Å; C111-R113 PolarHBondContact O-N 2.64Å; R113-L116 PolarHBondContact O-N 2.99Å; R113-S117 PolarHBondContact O-N 3.48Å
114	M	94.6	Very high	96.3	Very high	3 Å²	3	72.7 Å²	72.7	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-72	-41.8	178.9	-164	157.7	68.5	0	0	110.8	L107 C111 P112 L116 S117 L159 I268	L107-M114 HydrophobicContact CD1-CE 3.33Å; L107-M114 HydrophobicContact CD2-CE 3.49Å; L107-M114 VanDerWaalsContact CD2-CE 3.49Å; L107-M114 HydrophobicContact CG-CE 3.95Å; C111-M114 HydrophobicContact CB-CB 4.15Å; C111-M114 HydrophobicContact CB-CE 3.83Å; C111-M114 WeakPolarHBondContact O-CB 3.19Å; C111-M114 PolarHBondContact O-N 3.21Å; P112-M114 PolarHBondContact O-N 2.78Å; M114-L116 VanDerWaalsContact C-N 3.33Å; M114-L116 PolarHBondContact O-N 3.04Å; M114-S117 PolarHBondContact O-N 2.83Å; M114-S117 VanDerWaalsContact O-N 3.13Å; M114-S117 PolarHBondContact O-OG 3.15Å; M114-L159 HydrophobicContact CE-CD1 4.25Å; M114-L159 HydrophobicContact CG-CB 4.38Å; M114-L159 HydrophobicContact CG-CD1 3.83Å; M114-L159 HydrophobicContact SD-CD1 4.2Å; M114-I268 HydrophobicContact CE-CD1 3.31Å; M114-I268 HydrophobicContact CE-CG1 3.78Å; M114-I268 HydrophobicContact SD-CD1 4.24Å
115	V	95.9	Very high	96.2	Very high	32 Å²	32	75.9 Å²	75.9	19%	0.194	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-42.4	173	-179	0	0	0	0	111.1	L107 C111 P112 S117 L118	L107-V115 HydrophobicContact CB-CG2 3.66Å; C111-V115 PolarHBondContact O-N 3.13Å; P112-V115 PolarHBondContact O-N 2.8Å; V115-S117 PolarHBondContact O-N 2.63Å; V115-L118 WeakPolarHBondContact O-CB 3.26Å; V115-L118 WeakPolarHBondContact O-CG 3.27Å; V115-L118 PolarHBondContact O-N 3.18Å
116	L	96.1	Very high	96.2	Very high	137 Å²	137	70.7 Å²	70.7	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-65.3	-18.4	176.8	-70.5	171.3	0	0	0	114.2	P112 R113 M114	P112-L116 VanDerWaalsContact O-CG 3.32Å; P112-L116 WeakPolarHBondContact O-CG 3.37Å; P112-L116 PolarHBondContact O-N 3.48Å; R113-L116 PolarHBondContact O-N 2.99Å; M114-L116 VanDerWaalsContact C-N 3.33Å; M114-L116 PolarHBondContact O-N 3.04Å
117	S	96.6	Very high	96.2	Very high	7 Å²	7	68.7 Å²	68.7	5%	0.049	33%	0.334	C	S	.	.	H	α-helix	trans	-87.5	-12.9	178	70.8	0	0	0	0	113.5	R113 M114 V115 Q152 K153	R113-S117 PolarHBondContact O-N 3.48Å; M114-S117 PolarHBondContact O-N 2.83Å; M114-S117 VanDerWaalsContact O-N 3.13Å; M114-S117 PolarHBondContact O-OG 3.15Å; V115-S117 PolarHBondContact O-N 2.63Å; S117-Q152 WeakPolarHBondContact OG-CG 3.49Å; S117-Q152 PolarHBondContact OG-NE2 2.93Å; S117-K153 PolarHBondContact O-N 3.33Å
118	L	97.6	Very high	96.3	Very high	25 Å²	25	72 Å²	72	13%	0.131	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-63.2	136.8	175.2	-60	179.4	0	0	0	110.3	W100 K104 V115 L159	W100-L118 HydrophobicContact CH2-CD2 4.41Å; W100-L118 HydrophobicContact CZ3-CD1 4.21Å; W100-L118 HydrophobicContact CZ3-CD2 3.98Å; K104-L118 HydrophobicContact CD-CD1 4.35Å; K104-L118 HydrophobicContact CG-CD1 3.96Å; V115-L118 WeakPolarHBondContact O-CB 3.26Å; V115-L118 WeakPolarHBondContact O-CG 3.27Å; V115-L118 PolarHBondContact O-N 3.18Å; L118-L159 HydrophobicContact CD2-CD1 4.22Å; L118-L159 HydrophobicContact CD2-CD2 3.71Å
119	K	97.8	Very high	96.4	Very high	59 Å²	59	68.6 Å²	68.6	26%	0.257	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-86.4	154.1	175	-61.3	-176.9	-178.7	179.2	0	110.1	H149 N150 G151 K153 D176	K119-H149 PolarHBondContact O-ND1 3.32Å; K119-N150 HydrophobicContact CB-CB 4.2Å; K119-N150 WeakPolarHBondContact CB-O 3.48Å; K119-N150 WeakPolarHBondContact CD-O 3.33Å; K119-G151 PolarHBondContact N-O 2.86Å; K119-K153 HydrophobicContact CG-CG 4.22Å; K119-D176 HydrophobicContact CD-CB 3.93Å; K119-D176 IonicContact NZ-OD1 3.87Å; K119-D176 IonicContact NZ-OD2 3.21Å; K119-D176 PolarHBondContact NZ-OD2 3.42Å
120	E	97.5	Very high	96.5	Very high	179 Å²	179	64 Å²	64	84%	0.836	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-62.8	158.5	171.8	-65.3	-171.8	168.4	0	0	110.5	N150	E120-N150 WeakPolarHBondContact O-CB 3.23Å; E120-N150 PolarHBondContact O-N 2.85Å; E120-N150 VanDerWaalsContact O-N 3.14Å
121	G	97.6	Very high	96.6	Very high	34 Å²	34	59.4 Å²	59.4	35%	0.351	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-59.7	140.3	179.3	0	0	0	0	0	112.4	Y146 R147	G121-Y146 CarbonylContact C-O 3.56Å; G121-Y146 WeakPolarHBondContact CA-O 3.01Å; G121-R147 WeakPolarHBondContact CA-O 3.24Å
122	A	97.4	Very high	96.8	Very high	6 Å²	6	63.3 Å²	63.3	5%	0.05	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.9	155.2	172.1	0	0	0	0	0	110.7	L127 Y146 R147 N150	A122-L127 HydrophobicContact CB-CD2 4.09Å; A122-L127 HydrophobicContact CB-CG 4.2Å; A122-Y146 PolarHBondContact N-O 3.43Å; A122-R147 WeakPolarHBondContact O-CD 3.38Å; A122-R147 PolarHBondContact O-NE 2.91Å; A122-R147 VanDerWaalsContact O-NE 3.07Å; A122-N150 HydrophobicContact CB-CB 4.2Å
123	R	96.8	Very high	96.9	Very high	148 Å²	148	65.9 Å²	65.9	56%	0.558	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-87.8	162.1	171.1	-51.2	173.9	-68	166.3	5.1	110.3	E125 D126 L127	R123-E125 WeakPolarHBondContact CB-OE2 3.42Å; R123-E125 PolarHBondContact O-N 3.35Å; R123-D126 VanDerWaalsContact CB-OD2 3.28Å; R123-D126 WeakPolarHBondContact CB-OD2 3.49Å; R123-D126 WeakPolarHBondContact CG-OD2 3.3Å; R123-D126 IonicContact CZ-OD1 3.54Å; R123-D126 IonicContact CZ-OD2 3.77Å; R123-D126 PolarHBondContact N-OD2 3.27Å; R123-D126 VanDerWaalsContact N-OD2 3.12Å; R123-D126 IonicContact NE-OD1 3.49Å; R123-D126 PolarHBondContact NE-OD1 2.87Å; R123-D126 IonicContact NE-OD2 2.96Å; R123-D126 PolarHBondContact NE-OD2 3.46Å; R123-D126 IonicContact NH2-OD1 2.77Å; R123-D126 PolarHBondContact NH2-OD1 3.37Å; R123-D126 IonicContact NH2-OD2 3.69Å; R123-D126 PolarHBondContact O-N 2.89Å; R123-L127 PolarHBondContact O-N 3.2Å
124	E	96.1	Very high	97.1	Very high	37 Å²	37	56.6 Å²	56.6	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-39.7	175.3	-78.2	-56.8	128.6	0	0	111.6	Y89 D126 L127 D128 R143 R147	Y89-E124 WeakPolarHBondContact CE2-OE1 3.33Å; Y89-E124 VanDerWaalsContact CZ-OE1 3.28Å; Y89-E124 PolarHBondContact OH-OE1 3.29Å; Y89-E124 PolarHBondContact OH-OE2 2.81Å; E124-D126 VanDerWaalsContact C-N 3.26Å; E124-D126 PolarHBondContact O-N 3.08Å; E124-L127 PolarHBondContact O-N 3.22Å; E124-D128 WeakPolarHBondContact O-CB 3.3Å; E124-D128 VanDerWaalsContact O-CG 3.25Å; E124-D128 PolarHBondContact O-N 3.09Å; E124-R143 IonicContact OE2-CZ 3.13Å; E124-R143 IonicContact OE2-NE 3.86Å; E124-R143 IonicContact OE2-NH2 3.76Å; E124-R143 PolarHBondContact OE2-NH2 3.48Å; E124-R147 VanDerWaalsContact CG-NH1 3.26Å; E124-R147 VanDerWaalsContact OE1-CD 3.3Å; E124-R147 WeakPolarHBondContact OE1-CD 3.4Å; E124-R147 IonicContact OE1-CZ 3.79Å; E124-R147 IonicContact OE1-NE 2.78Å; E124-R147 IonicContact OE1-NH1 3.75Å; E124-R147 PolarHBondContact OE1-NH1 3.4Å
125	E	96.7	Very high	97.1	Very high	121 Å²	121	59.5 Å²	59.5	57%	0.565	33%	0.334	S	S	*	.	H	α-helix	trans	-65.7	-33.6	-176.6	-54.7	80.7	-172.3	0	0	111.8	R123 A129	R123-E125 WeakPolarHBondContact CB-OE2 3.42Å; R123-E125 PolarHBondContact O-N 3.35Å; E125-A129 WeakPolarHBondContact O-CB 3.13Å; E125-A129 PolarHBondContact O-N 3.02Å
126	D	96.9	Very high	97.1	Very high	50 Å²	50	58.8 Å²	58.8	27%	0.267	33%	0.331	S	S	.	.	H	α-helix	trans	-69.2	-42.9	177.4	-53.2	-40.4	0	0	0	109.9	R123 E124 A129 V130	R123-D126 VanDerWaalsContact CB-OD2 3.28Å; R123-D126 WeakPolarHBondContact CB-OD2 3.49Å; R123-D126 WeakPolarHBondContact CG-OD2 3.3Å; R123-D126 IonicContact CZ-OD1 3.54Å; R123-D126 IonicContact CZ-OD2 3.77Å; R123-D126 PolarHBondContact N-OD2 3.27Å; R123-D126 VanDerWaalsContact N-OD2 3.12Å; R123-D126 IonicContact NE-OD1 3.49Å; R123-D126 PolarHBondContact NE-OD1 2.87Å; R123-D126 IonicContact NE-OD2 2.96Å; R123-D126 PolarHBondContact NE-OD2 3.46Å; R123-D126 IonicContact NH2-OD1 2.77Å; R123-D126 PolarHBondContact NH2-OD1 3.37Å; R123-D126 IonicContact NH2-OD2 3.69Å; R123-D126 PolarHBondContact O-N 2.89Å; E124-D126 VanDerWaalsContact C-N 3.26Å; E124-D126 PolarHBondContact O-N 3.08Å; D126-A129 PolarHBondContact O-N 3.24Å; D126-V130 WeakPolarHBondContact O-CG2 3.19Å; D126-V130 PolarHBondContact O-N 2.91Å; D126-V130 VanDerWaalsContact O-N 3.07Å
127	L	97.8	Very high	97.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.9	-37	175.7	-62.1	176	0	0	0	112.5	A122 R123 E124 V130 E131 R143 R147 V177	A122-L127 HydrophobicContact CB-CD2 4.09Å; A122-L127 HydrophobicContact CB-CG 4.2Å; R123-L127 PolarHBondContact O-N 3.2Å; E124-L127 PolarHBondContact O-N 3.22Å; L127-V130 PolarHBondContact O-N 3.12Å; L127-E131 PolarHBondContact O-N 2.87Å; L127-R143 VanDerWaalsContact CB-CZ 3.48Å; L127-R143 HydrophobicContact CD1-CB 3.99Å; L127-R143 HydrophobicContact CD1-CG 4.23Å; L127-R147 HydrophobicContact CD1-CG 3.93Å; L127-V177 HydrophobicContact CD2-CB 4.33Å; L127-V177 HydrophobicContact CD2-CG1 4.17Å; L127-V177 HydrophobicContact CD2-CG2 3.91Å
128	D	97.9	Very high	97.2	Very high	70 Å²	70	58.1 Å²	58.1	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-68.6	-37.3	175.9	-71.8	-11.1	0	0	0	111.9	E124 V130 E131 A132 R143	E124-D128 WeakPolarHBondContact O-CB 3.3Å; E124-D128 VanDerWaalsContact O-CG 3.25Å; E124-D128 PolarHBondContact O-N 3.09Å; D128-V130 VanDerWaalsContact C-N 3.32Å; D128-E131 PolarHBondContact O-N 3.06Å; D128-A132 WeakPolarHBondContact O-CB 3.49Å; D128-A132 PolarHBondContact O-N 3.29Å; D128-R143 IonicContact OD1-CZ 2.65Å; D128-R143 IonicContact OD1-NH1 2.64Å; D128-R143 PolarHBondContact OD1-NH1 3.18Å; D128-R143 IonicContact OD1-NH2 3.33Å; D128-R143 PolarHBondContact OD1-NH2 3.05Å
129	A	98	Very high	97.2	Very high	60 Å²	60	57.3 Å²	57.3	50%	0.496	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-40.5	172.7	0	0	0	0	0	111.5	E125 D126 A132 Q133	E125-A129 WeakPolarHBondContact O-CB 3.13Å; E125-A129 PolarHBondContact O-N 3.02Å; D126-A129 PolarHBondContact O-N 3.24Å; A129-A132 WeakPolarHBondContact O-CB 3.22Å; A129-A132 PolarHBondContact O-N 3.03Å; A129-Q133 PolarHBondContact O-N 3.42Å
130	V	98	Very high	97.2	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-46.6	173.9	166.7	0	0	0	0	111.5	D126 L127 D128 A132 Q133 I134 L138 V177 A181	D126-V130 WeakPolarHBondContact O-CG2 3.19Å; D126-V130 PolarHBondContact O-N 2.91Å; D126-V130 VanDerWaalsContact O-N 3.07Å; L127-V130 PolarHBondContact O-N 3.12Å; D128-V130 VanDerWaalsContact C-N 3.32Å; V130-A132 VanDerWaalsContact C-N 3.27Å; V130-A132 PolarHBondContact O-N 3.13Å; V130-Q133 WeakPolarHBondContact O-CB 3.41Å; V130-Q133 PolarHBondContact O-N 3.02Å; V130-Q133 VanDerWaalsContact O-N 3.09Å; V130-I134 HydrophobicContact CG1-CG2 4.46Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 3.49Å; V130-L138 HydrophobicContact CG1-CD1 4.05Å; V130-V177 HydrophobicContact CB-CG2 4.29Å; V130-V177 HydrophobicContact CG1-CG2 4.01Å; V130-V177 HydrophobicContact CG2-CG1 4.22Å; V130-V177 HydrophobicContact CG2-CG2 4Å; V130-A181 HydrophobicContact CB-CB 4.46Å; V130-A181 HydrophobicContact CG1-CB 3.68Å; V130-A181 HydrophobicContact CG2-CB 4.16Å
131	E	98	Very high	97.2	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-40.4	175.5	-74.4	-175.3	171.4	0	0	112.1	R88 L127 D128 Q133 G135 C136 K137 L138 R143	R88-E131 IonicContact NH2-OE1 3.44Å; L127-E131 PolarHBondContact O-N 2.87Å; D128-E131 PolarHBondContact O-N 3.06Å; E131-Q133 VanDerWaalsContact C-N 3.33Å; E131-G135 WeakPolarHBondContact O-CA 3.47Å; E131-G135 PolarHBondContact O-N 2.91Å; E131-C136 WeakPolarHBondContact CA-O 3.43Å; E131-C136 WeakPolarHBondContact CB-O 3.39Å; E131-C136 WeakPolarHBondContact CG-O 3.31Å; E131-C136 PolarHBondContact O-N 3.4Å; E131-K137 WeakPolarHBondContact OE2-CD 3.4Å; E131-K137 WeakPolarHBondContact OE2-CE 3.31Å; E131-K137 IonicContact OE2-NZ 3.68Å; E131-K137 PolarHBondContact OE2-NZ 3.14Å; E131-L138 HydrophobicContact CG-CB 4.23Å; E131-L138 HydrophobicContact CG-CD1 4.07Å; E131-L138 HydrophobicContact CG-CG 3.78Å; E131-L138 PolarHBondContact OE1-N 3.37Å; E131-R143 IonicContact OE1-CZ 2.76Å; E131-R143 IonicContact OE1-NH1 3.22Å; E131-R143 PolarHBondContact OE1-NH1 2.78Å; E131-R143 IonicContact OE2-NH1 3.18Å; E131-R143 PolarHBondContact OE2-NH1 2.65Å
132	A	97.7	Very high	97.2	Very high	84 Å²	84	47.6 Å²	47.6	69%	0.694	27%	0.266	S	S	*	.	H	α-helix	trans	-65	-36.8	175.6	0	0	0	0	0	112.3	D128 A129 V130	D128-A132 WeakPolarHBondContact O-CB 3.49Å; D128-A132 PolarHBondContact O-N 3.29Å; A129-A132 WeakPolarHBondContact O-CB 3.22Å; A129-A132 PolarHBondContact O-N 3.03Å; V130-A132 VanDerWaalsContact C-N 3.27Å; V130-A132 PolarHBondContact O-N 3.13Å
133	Q	96.8	Very high	97.2	Very high	121 Å²	121	47.3 Å²	47.3	57%	0.565	26%	0.263	S	S	*	.	H	α-helix	trans	-67.1	-48.7	175.8	175	-176.3	-26	0	0	112.2	A129 V130 E131	A129-Q133 PolarHBondContact O-N 3.42Å; V130-Q133 WeakPolarHBondContact O-CB 3.41Å; V130-Q133 PolarHBondContact O-N 3.02Å; V130-Q133 VanDerWaalsContact O-N 3.09Å; E131-Q133 VanDerWaalsContact C-N 3.33Å
134	I	96.6	Very high	97.3	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-82.9	-15.3	-175.4	70.7	178.3	0	0	0	112.9	V130 C136 L138 A181 F184	V130-I134 HydrophobicContact CG1-CG2 4.46Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 3.49Å; I134-C136 VanDerWaalsContact C-N 3.28Å; I134-C136 HydrophobicContact CD1-CB 4.23Å; I134-C136 HydrophobicContact CG1-CB 4.14Å; I134-C136 PolarHBondContact O-N 3.49Å; I134-L138 HydrophobicContact CD1-CD2 3.79Å; I134-L138 HydrophobicContact CD1-CG 4.39Å; I134-A181 HydrophobicContact CG2-CB 4.07Å; I134-F184 HydrophobicContact CB-CB 4.47Å; I134-F184 HydrophobicContact CB-CD1 3.76Å; I134-F184 HydrophobicContact CB-CD2 4.23Å; I134-F184 HydrophobicContact CB-CE1 3.93Å; I134-F184 HydrophobicContact CB-CE2 4.39Å; I134-F184 HydrophobicContact CB-CG 3.9Å; I134-F184 HydrophobicContact CB-CZ 4.23Å; I134-F184 HydrophobicContact CD1-CD2 4.47Å; I134-F184 HydrophobicContact CD1-CE2 4.38Å; I134-F184 HydrophobicContact CG2-CB 3.83Å; I134-F184 HydrophobicContact CG2-CD1 4.06Å; I134-F184 HydrophobicContact CG2-CD2 4.28Å; I134-F184 HydrophobicContact CG2-CG 3.8Å; I134-F184 WeakPolarHBondContact O-CE1 3.35Å
135	G	96.1	Very high	97.4	Very high	65 Å²	65	38.5 Å²	38.5	67%	0.67	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	17.8	-179.9	0	0	0	0	0	114.4	E131	E131-G135 WeakPolarHBondContact O-CA 3.47Å; E131-G135 PolarHBondContact O-N 2.91Å
136	C	95.2	Very high	97.5	Very high	17 Å²	17	32.8 Å²	32.8	12%	0.115	20%	0.202	C	C	.	.	S	Bend	trans	-135.4	155	-177.1	-65.3	0	0	0	0	110.3	E131 I134 F184 V210	E131-C136 WeakPolarHBondContact CA-O 3.43Å; E131-C136 WeakPolarHBondContact CB-O 3.39Å; E131-C136 WeakPolarHBondContact CG-O 3.31Å; E131-C136 PolarHBondContact O-N 3.4Å; I134-C136 VanDerWaalsContact C-N 3.28Å; I134-C136 HydrophobicContact CD1-CB 4.23Å; I134-C136 HydrophobicContact CG1-CB 4.14Å; I134-C136 PolarHBondContact O-N 3.49Å; C136-F184 HydrophobicContact CB-CZ 4.49Å; C136-V210 HydrophobicContact CB-CG1 3.84Å
137	K	96.7	Very high	97.5	Very high	125 Å²	125	32.4 Å²	32.4	54%	0.543	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-85.2	127.8	175.2	-70.4	-60.3	-175.8	179.6	0	110.9	E131 V210	E131-K137 WeakPolarHBondContact OE2-CD 3.4Å; E131-K137 WeakPolarHBondContact OE2-CE 3.31Å; E131-K137 IonicContact OE2-NZ 3.68Å; E131-K137 PolarHBondContact OE2-NZ 3.14Å; K137-V210 WeakPolarHBondContact O-CG1 3.45Å
138	L	97.6	Very high	97.5	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-72.2	146.4	176.5	-67.6	172.6	0	0	0	110	V130 E131 I134 Y142 R143 V177 L194	V130-L138 HydrophobicContact CG1-CD1 4.05Å; E131-L138 HydrophobicContact CG-CB 4.23Å; E131-L138 HydrophobicContact CG-CD1 4.07Å; E131-L138 HydrophobicContact CG-CG 3.78Å; E131-L138 PolarHBondContact OE1-N 3.37Å; I134-L138 HydrophobicContact CD1-CD2 3.79Å; I134-L138 HydrophobicContact CD1-CG 4.39Å; L138-Y142 HydrophobicContact CB-CD1 4.29Å; L138-Y142 HydrophobicContact CD1-CD1 4.24Å; L138-Y142 HydrophobicContact CD1-CE1 4.04Å; L138-Y142 HydrophobicContact CD2-CD1 4.25Å; L138-Y142 HydrophobicContact CD2-CE1 4.11Å; L138-R143 HydrophobicContact CB-CG 3.68Å; L138-R143 HydrophobicContact CD1-CG 4.25Å; L138-V177 HydrophobicContact CD1-CG2 4.35Å; L138-L194 HydrophobicContact CD2-CD2 3.97Å
139	P	97.3	Very high	97.5	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.052	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-58.4	139.3	173.1	-23.3	34.9	0	0	0	111.4	D141 Y142 R143 I208 N219	P139-D141 VanDerWaalsContact C-N 3.27Å; P139-D141 VanDerWaalsContact CB-OD1 3.27Å; P139-D141 WeakPolarHBondContact CB-OD1 3.13Å; P139-D141 PolarHBondContact O-N 3.19Å; P139-Y142 WeakPolarHBondContact O-CB 3.41Å; P139-Y142 PolarHBondContact O-N 3.12Å; P139-R143 WeakPolarHBondContact O-CG 3.07Å; P139-R143 PolarHBondContact O-N 3Å; P139-I208 HydrophobicContact CG-CD1 4.06Å; P139-N219 WeakPolarHBondContact CB-OD1 3.3Å; P139-N219 WeakPolarHBondContact CG-OD1 3.37Å
140	D	97.6	Very high	97.5	Very high	62 Å²	62	29.9 Å²	29.9	33%	0.332	17%	0.174	S	C	.	.	H	α-helix	trans	-64.5	-32.1	-176.7	-80.1	-18.6	0	0	0	112.3	R88 Y89 C144	R88-D140 IonicContact CZ-OD1 2.61Å; R88-D140 VanDerWaalsContact CZ-OD1 3.23Å; R88-D140 IonicContact NE-OD1 3.97Å; R88-D140 PolarHBondContact NE-OD1 2.87Å; R88-D140 IonicContact NH2-OD1 2.78Å; R88-D140 PolarHBondContact NH2-OD1 2.77Å; Y89-D140 HydrophobicContact CD1-CB 4.12Å; Y89-D140 WeakPolarHBondContact CD1-O 3.42Å; Y89-D140 HydrophobicContact CE1-CB 4.39Å; Y89-D140 WeakPolarHBondContact CE1-O 3.13Å; D140-C144 WeakPolarHBondContact O-CB 3.33Å; D140-C144 PolarHBondContact O-N 3.34Å
141	D	97.8	Very high	97.4	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-72	-38.8	175.5	62.9	-18.6	0	0	0	113.4	H92 I96 P139 C144 S145 T244 F245 T246	H92-D141 HydrophobicContact CB-CB 4.14Å; I96-D141 HydrophobicContact CD1-CB 3.98Å; I96-D141 VanDerWaalsContact CD1-O 3.23Å; I96-D141 WeakPolarHBondContact CD1-O 3.32Å; P139-D141 VanDerWaalsContact C-N 3.27Å; P139-D141 VanDerWaalsContact CB-OD1 3.27Å; P139-D141 WeakPolarHBondContact CB-OD1 3.13Å; P139-D141 PolarHBondContact O-N 3.19Å; D141-C144 WeakPolarHBondContact O-CB 3.33Å; D141-C144 PolarHBondContact O-N 3.07Å; D141-S145 PolarHBondContact O-N 2.88Å; D141-T244 VanDerWaalsContact OD2-CB 3.32Å; D141-T244 WeakPolarHBondContact OD2-CB 3.39Å; D141-T244 PolarHBondContact OD2-OG1 2.79Å; D141-F245 PolarHBondContact OD2-N 2.82Å; D141-F245 VanDerWaalsContact OD2-N 3.13Å; D141-T246 WeakPolarHBondContact CB-OG1 3.23Å; D141-T246 PolarHBondContact OD2-N 3.01Å; D141-T246 PolarHBondContact OD2-OG1 3.3Å
142	Y	98	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-55.1	168.7	177.1	-87.6	0	0	0	110.2	L138 P139 C144 S145 Y146 V177 L194 L196 F245	L138-Y142 HydrophobicContact CB-CD1 4.29Å; L138-Y142 HydrophobicContact CD1-CD1 4.24Å; L138-Y142 HydrophobicContact CD1-CE1 4.04Å; L138-Y142 HydrophobicContact CD2-CD1 4.25Å; L138-Y142 HydrophobicContact CD2-CE1 4.11Å; P139-Y142 WeakPolarHBondContact O-CB 3.41Å; P139-Y142 PolarHBondContact O-N 3.12Å; Y142-C144 VanDerWaalsContact C-N 3.29Å; Y142-C144 PolarHBondContact O-N 3.04Å; Y142-S145 WeakPolarHBondContact O-CB 3.47Å; Y142-S145 PolarHBondContact O-N 2.9Å; Y142-S145 VanDerWaalsContact O-N 3.09Å; Y142-Y146 HydrophobicContact CD1-CD2 4.17Å; Y142-Y146 HydrophobicContact CD1-CE2 4.44Å; Y142-Y146 HydrophobicContact CD2-CD2 4.13Å; Y142-Y146 AromaticContact CD2-CE2 3.71Å; Y142-Y146 HydrophobicContact CD2-CE2 3.71Å; Y142-Y146 AromaticContact CE1-CD2 3.93Å; Y142-Y146 HydrophobicContact CE1-CD2 3.93Å; Y142-Y146 HydrophobicContact CE1-CE2 4.02Å; Y142-Y146 HydrophobicContact CE1-CG 4.29Å; Y142-Y146 AromaticContact CE2-CD2 3.89Å; Y142-Y146 HydrophobicContact CE2-CD2 3.89Å; Y142-Y146 AromaticContact CE2-CE2 3.2Å; Y142-Y146 HydrophobicContact CE2-CE2 3.2Å; Y142-Y146 AromaticContact CE2-CZ 3.66Å; Y142-Y146 HydrophobicContact CG-CD2 4.26Å; Y142-Y146 HydrophobicContact CG-CE2 4.3Å; Y142-Y146 AromaticContact CZ-CD2 3.78Å; Y142-Y146 AromaticContact CZ-CE2 3.37Å; Y142-Y146 AromaticContact CZ-CZ 3.58Å; Y142-Y146 VanDerWaalsContact O-CD2 3.26Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.26Å; Y142-Y146 PolarHBondContact O-N 3.11Å; Y142-Y146 VanDerWaalsContact O-N 3.11Å; Y142-V177 HydrophobicContact CE1-CG2 4Å; Y142-L194 HydrophobicContact CE1-CD2 4.29Å; Y142-L194 HydrophobicContact CE2-CD2 4.31Å; Y142-L196 HydrophobicContact CD2-CD1 3.89Å; Y142-L196 HydrophobicContact CE2-CD1 3.46Å; Y142-L196 VanDerWaalsContact CE2-CD1 3.46Å; Y142-F245 AromaticContact CD2-CD2 3.69Å; Y142-F245 HydrophobicContact CD2-CD2 3.69Å; Y142-F245 HydrophobicContact CD2-CE2 4.04Å; Y142-F245 HydrophobicContact CD2-CG 4.42Å; Y142-F245 HydrophobicContact CG-CD2 4.49Å
143	R	98.1	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-54.8	-45.6	177.7	-70.6	-179.1	69.5	101.2	0.6	111.9	R88 Y89 E124 L127 D128 E131 L138 P139 S145 Y146 R147	R88-R143 VanDerWaalsContact NH1-CZ 3.3Å; Y89-R143 HydrophobicContact CD1-CB 4.46Å; Y89-R143 HydrophobicContact CE1-CB 3.51Å; Y89-R143 PolarHBondContact OH-NE 3.41Å; E124-R143 IonicContact OE2-CZ 3.13Å; E124-R143 IonicContact OE2-NE 3.86Å; E124-R143 IonicContact OE2-NH2 3.76Å; E124-R143 PolarHBondContact OE2-NH2 3.48Å; L127-R143 VanDerWaalsContact CB-CZ 3.48Å; L127-R143 HydrophobicContact CD1-CB 3.99Å; L127-R143 HydrophobicContact CD1-CG 4.23Å; D128-R143 IonicContact OD1-CZ 2.65Å; D128-R143 IonicContact OD1-NH1 2.64Å; D128-R143 PolarHBondContact OD1-NH1 3.18Å; D128-R143 IonicContact OD1-NH2 3.33Å; D128-R143 PolarHBondContact OD1-NH2 3.05Å; E131-R143 IonicContact OE1-CZ 2.76Å; E131-R143 IonicContact OE1-NH1 3.22Å; E131-R143 PolarHBondContact OE1-NH1 2.78Å; E131-R143 IonicContact OE2-NH1 3.18Å; E131-R143 PolarHBondContact OE2-NH1 2.65Å; L138-R143 HydrophobicContact CB-CG 3.68Å; L138-R143 HydrophobicContact CD1-CG 4.25Å; P139-R143 WeakPolarHBondContact O-CG 3.07Å; P139-R143 PolarHBondContact O-N 3Å; R143-S145 VanDerWaalsContact C-N 3.32Å; R143-S145 PolarHBondContact O-N 2.83Å; R143-Y146 PolarHBondContact O-N 3.38Å; R143-Y146 VanDerWaalsContact O-N 3.15Å; R143-R147 WeakPolarHBondContact O-CG 3.26Å; R143-R147 PolarHBondContact O-N 2.64Å
144	C	98.3	Very high	97	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-56.1	-44.8	178.1	-177.1	0	0	0	0	112.5	Y89 H92 Y93 I96 D140 D141 Y142 Y146 R147 I148	Y89-C144 HydrophobicContact CD1-CB 3.83Å; Y89-C144 HydrophobicContact CD2-CB 4.3Å; Y89-C144 HydrophobicContact CG-CB 3.65Å; H92-C144 HydrophobicContact CB-CB 4.48Å; Y93-C144 VanDerWaalsContact CA-SG 3.5Å; I96-C144 HydrophobicContact CD1-CB 4.05Å; D140-C144 WeakPolarHBondContact O-CB 3.33Å; D140-C144 PolarHBondContact O-N 3.34Å; D141-C144 WeakPolarHBondContact O-CB 3.33Å; D141-C144 PolarHBondContact O-N 3.07Å; Y142-C144 VanDerWaalsContact C-N 3.29Å; Y142-C144 PolarHBondContact O-N 3.04Å; C144-Y146 VanDerWaalsContact C-N 3.34Å; C144-R147 PolarHBondContact O-N 2.84Å; C144-I148 WeakPolarHBondContact O-CG1 3.34Å; C144-I148 PolarHBondContact O-N 3.27Å
145	S	98.2	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-44	177.4	-175.6	0	0	0	0	111.7	W100 D141 Y142 R143 R147 I148 H149 F245	W100-S145 PolarHBondContact NE1-OG 3.49Å; D141-S145 PolarHBondContact O-N 2.88Å; Y142-S145 WeakPolarHBondContact O-CB 3.47Å; Y142-S145 PolarHBondContact O-N 2.9Å; Y142-S145 VanDerWaalsContact O-N 3.09Å; R143-S145 VanDerWaalsContact C-N 3.32Å; R143-S145 PolarHBondContact O-N 2.83Å; S145-R147 VanDerWaalsContact C-N 3.33Å; S145-R147 PolarHBondContact O-N 3.15Å; S145-I148 WeakPolarHBondContact O-CA 3.47Å; S145-I148 WeakPolarHBondContact O-CB 3.39Å; S145-I148 PolarHBondContact O-N 3.38Å; S145-H149 PolarHBondContact O-N 3.49Å; S145-F245 WeakPolarHBondContact OG-CE1 3.22Å; S145-F245 VanDerWaalsContact OG-CZ 3.3Å; S145-F245 WeakPolarHBondContact OG-CZ 3.46Å
146	Y	98.2	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-71.3	-26.3	-178.7	-79.8	-105.4	0	0	0	113.2	G121 A122 Y142 R143 C144 I148 H149 N150 L175 V177 F245	G121-Y146 CarbonylContact C-O 3.56Å; G121-Y146 WeakPolarHBondContact CA-O 3.01Å; A122-Y146 PolarHBondContact N-O 3.43Å; Y142-Y146 HydrophobicContact CD1-CD2 4.17Å; Y142-Y146 HydrophobicContact CD1-CE2 4.44Å; Y142-Y146 HydrophobicContact CD2-CD2 4.13Å; Y142-Y146 AromaticContact CD2-CE2 3.71Å; Y142-Y146 HydrophobicContact CD2-CE2 3.71Å; Y142-Y146 AromaticContact CE1-CD2 3.93Å; Y142-Y146 HydrophobicContact CE1-CD2 3.93Å; Y142-Y146 HydrophobicContact CE1-CE2 4.02Å; Y142-Y146 HydrophobicContact CE1-CG 4.29Å; Y142-Y146 AromaticContact CE2-CD2 3.89Å; Y142-Y146 HydrophobicContact CE2-CD2 3.89Å; Y142-Y146 AromaticContact CE2-CE2 3.2Å; Y142-Y146 HydrophobicContact CE2-CE2 3.2Å; Y142-Y146 AromaticContact CE2-CZ 3.66Å; Y142-Y146 HydrophobicContact CG-CD2 4.26Å; Y142-Y146 HydrophobicContact CG-CE2 4.3Å; Y142-Y146 AromaticContact CZ-CD2 3.78Å; Y142-Y146 AromaticContact CZ-CE2 3.37Å; Y142-Y146 AromaticContact CZ-CZ 3.58Å; Y142-Y146 VanDerWaalsContact O-CD2 3.26Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.26Å; Y142-Y146 PolarHBondContact O-N 3.11Å; Y142-Y146 VanDerWaalsContact O-N 3.11Å; R143-Y146 PolarHBondContact O-N 3.38Å; R143-Y146 VanDerWaalsContact O-N 3.15Å; C144-Y146 VanDerWaalsContact C-N 3.34Å; Y146-I148 PolarHBondContact O-N 3.49Å; Y146-H149 WeakPolarHBondContact CA-O 3.43Å; Y146-H149 CarbonylContact O-C 3.37Å; Y146-N150 HydrophobicContact CD1-CB 4.49Å; Y146-N150 VanDerWaalsContact CD1-OD1 3.25Å; Y146-N150 WeakPolarHBondContact CD1-OD1 3.28Å; Y146-L175 VanDerWaalsContact CE1-O 3.23Å; Y146-L175 WeakPolarHBondContact CE1-O 3.34Å; Y146-L175 PolarHBondContact OH-O 3Å; Y146-V177 HydrophobicContact CD1-CB 3.75Å; Y146-V177 HydrophobicContact CE1-CB 4.04Å; Y146-F245 HydrophobicContact CE2-CE2 4.08Å; Y146-F245 HydrophobicContact CE2-CZ 4.37Å
147	R	97.9	Very high	96.4	Very high	42 Å²	42	32.2 Å²	32.2	16%	0.158	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-24.7	166.1	-72.7	-60	-52.7	-85.6	-0.1	113	D85 Y89 G121 A122 E124 L127 R143 C144 S145	D85-R147 PolarHBondContact O-NH1 3.02Å; D85-R147 IonicContact OD1-CZ 3.02Å; D85-R147 IonicContact OD1-NH1 3.79Å; D85-R147 PolarHBondContact OD1-NH1 3.39Å; D85-R147 IonicContact OD1-NH2 2.72Å; D85-R147 PolarHBondContact OD1-NH2 2.97Å; D85-R147 IonicContact OD2-NH2 3.37Å; D85-R147 PolarHBondContact OD2-NH2 3.28Å; Y89-R147 HydrophobicContact CD2-CG 4.46Å; Y89-R147 HydrophobicContact CE2-CG 3.74Å; G121-R147 WeakPolarHBondContact CA-O 3.24Å; A122-R147 WeakPolarHBondContact O-CD 3.38Å; A122-R147 PolarHBondContact O-NE 2.91Å; A122-R147 VanDerWaalsContact O-NE 3.07Å; E124-R147 VanDerWaalsContact CG-NH1 3.26Å; E124-R147 VanDerWaalsContact OE1-CD 3.3Å; E124-R147 WeakPolarHBondContact OE1-CD 3.4Å; E124-R147 IonicContact OE1-CZ 3.79Å; E124-R147 IonicContact OE1-NE 2.78Å; E124-R147 IonicContact OE1-NH1 3.75Å; E124-R147 PolarHBondContact OE1-NH1 3.4Å; L127-R147 HydrophobicContact CD1-CG 3.93Å; R143-R147 WeakPolarHBondContact O-CG 3.26Å; R143-R147 PolarHBondContact O-N 2.64Å; C144-R147 PolarHBondContact O-N 2.84Å; S145-R147 VanDerWaalsContact C-N 3.33Å; S145-R147 PolarHBondContact O-N 3.15Å
148	I	97.3	Very high	96.3	Very high	29 Å²	29	26.2 Å²	26.2	15%	0.149	14%	0.136	C	C	.	.	H	α-helix	trans	-91	-50.6	178.3	-60.4	160.9	0	0	0	110.2	Y93 I96 K97 W100 C144 S145 Y146	Y93-I148 HydrophobicContact CE2-CD1 4.35Å; Y93-I148 HydrophobicContact CE2-CG1 4.31Å; I96-I148 HydrophobicContact CB-CD1 4.47Å; I96-I148 HydrophobicContact CG2-CD1 3.88Å; K97-I148 HydrophobicContact CB-CD1 3.91Å; W100-I148 HydrophobicContact CB-CG2 4.15Å; W100-I148 HydrophobicContact CG-CG2 4.07Å; C144-I148 WeakPolarHBondContact O-CG1 3.34Å; C144-I148 PolarHBondContact O-N 3.27Å; S145-I148 WeakPolarHBondContact O-CA 3.47Å; S145-I148 WeakPolarHBondContact O-CB 3.39Å; S145-I148 PolarHBondContact O-N 3.38Å; Y146-I148 PolarHBondContact O-N 3.49Å
149	H	97.9	Very high	96.3	Very high	27 Å²	27	26 Å²	26	13%	0.125	14%	0.135	C	C	.	.			trans	-143.7	118.8	175.9	-74.6	-64.9	0	0	0	110.6	W100 K104 K119 S145 Y146 G151	W100-H149 HydrophobicContact CD2-CB 4.26Å; W100-H149 AromaticContact CD2-CD2 3.6Å; W100-H149 HydrophobicContact CE3-CB 4.37Å; W100-H149 AromaticContact CE3-CD2 3.63Å; W100-H149 AromaticContact CG-CD2 3.82Å; W100-H149 HydrophobicContact CH2-CB 4.1Å; W100-H149 HydrophobicContact CZ2-CB 3.96Å; W100-H149 HydrophobicContact CZ3-CB 4.3Å; K104-H149 WeakPolarHBondContact CD-NE2 3.46Å; K104-H149 PolarHBondContact NZ-NE2 2.93Å; K104-H149 VanDerWaalsContact NZ-NE2 3.16Å; K119-H149 PolarHBondContact O-ND1 3.32Å; S145-H149 PolarHBondContact O-N 3.49Å; Y146-H149 WeakPolarHBondContact CA-O 3.43Å; Y146-H149 CarbonylContact O-C 3.37Å; H149-G151 PolarHBondContact O-N 2.93Å
150	N	97.8	Very high	96.2	Very high	21 Å²	21	25.7 Å²	25.7	11%	0.112	13%	0.132	C	C	.	.			trans	-78.9	58.8	-179.7	-174.6	13.2	0	0	0	112.3	K119 E120 A122 Y146 D176 V177	K119-N150 HydrophobicContact CB-CB 4.2Å; K119-N150 WeakPolarHBondContact CB-O 3.48Å; K119-N150 WeakPolarHBondContact CD-O 3.33Å; E120-N150 WeakPolarHBondContact O-CB 3.23Å; E120-N150 PolarHBondContact O-N 2.85Å; E120-N150 VanDerWaalsContact O-N 3.14Å; A122-N150 HydrophobicContact CB-CB 4.2Å; Y146-N150 HydrophobicContact CD1-CB 4.49Å; Y146-N150 VanDerWaalsContact CD1-OD1 3.25Å; Y146-N150 WeakPolarHBondContact CD1-OD1 3.28Å; N150-D176 WeakPolarHBondContact O-CA 3.3Å; N150-D176 VanDerWaalsContact O-CB 3.26Å; N150-D176 WeakPolarHBondContact O-CB 3.27Å; N150-V177 WeakPolarHBondContact OD1-CG1 3.21Å; N150-V177 PolarHBondContact OD1-N 2.94Å
151	G	96.4	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.			trans	67	-152	-178.4	0	0	0	0	0	113.8	K119 H149	K119-G151 PolarHBondContact N-O 2.86Å; H149-G151 PolarHBondContact O-N 2.93Å
152	Q	95.6	Very high	95.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-126.6	152.3	-174.5	-161.9	-169.1	-6.4	0	0	110.3	S117 D173 L174	S117-Q152 WeakPolarHBondContact OG-CG 3.49Å; S117-Q152 PolarHBondContact OG-NE2 2.93Å; Q152-D173 PolarHBondContact OE1-OD1 2.85Å; Q152-D173 VanDerWaalsContact OE1-OD1 3.13Å; Q152-L174 HydrophobicContact CB-CB 4.33Å; Q152-L174 WeakPolarHBondContact CB-O 3.4Å; Q152-L174 PolarHBondContact N-O 2.75Å
153	K	95.6	Very high	95.4	Very high	119 Å²	119	23.2 Å²	23.2	52%	0.517	12%	0.12	S	C	.	.			trans	-67	135	160.2	-64.3	172.7	-175.7	169.2	0	108.2	S117 K119 V155	S117-K153 PolarHBondContact O-N 3.33Å; K119-K153 HydrophobicContact CG-CG 4.22Å; K153-V155 HydrophobicContact CB-CG1 4.27Å; K153-V155 WeakPolarHBondContact O-CG2 3.44Å; K153-V155 PolarHBondContact O-N 3.02Å
154	L	93.3	Very high	94.8	Very high	84 Å²	84	25 Å²	25	44%	0.44	13%	0.134	S	C	.	.	S	Bend	trans	-59.9	107.4	175.4	-63.3	179.8	0	0	0	110.4	D173 L175 F198 I200	L154-D173 HydrophobicContact CD2-CB 3.76Å; L154-L175 HydrophobicContact CD2-CD2 3.84Å; L154-F198 HydrophobicContact CD2-CD1 4.47Å; L154-I200 HydrophobicContact CB-CD1 4.3Å
155	V	92.1	Very high	94.2	Very high	52 Å²	52	26.3 Å²	26.3	32%	0.315	14%	0.141	S	C	.	.			trans	-145.8	160.9	-177.1	-63.3	0	0	0	0	110.4	K153 P157 G158 D173	K153-V155 HydrophobicContact CB-CG1 4.27Å; K153-V155 WeakPolarHBondContact O-CG2 3.44Å; K153-V155 PolarHBondContact O-N 3.02Å; V155-P157 CarbonylContact O-C 3.45Å; V155-G158 PolarHBondContact O-N 2.78Å; V155-D173 PolarHBondContact N-OD1 2.96Å; V155-D173 VanDerWaalsContact N-OD1 3.07Å
156	V	90.1	Very high	93.1	Very high	70 Å²	70	32.5 Å²	32.5	42%	0.424	19%	0.185	S	C	.	.	S	Bend	trans	-115.1	123.7	172	-176.5	0	0	0	0	108.7	Y169 I200	V156-Y169 HydrophobicContact CG1-CE1 4Å; V156-I200 HydrophobicContact CG2-CD1 4.27Å
157	P	93.1	Very high	92.3	Very high	26 Å²	26	39.4 Å²	39.4	17%	0.169	22%	0.222	C	C	.	.	S	Bend	cis	-77.6	146.6	1.7	34.8	-38.7	0	0	0	114	V155 S171 Q267	V155-P157 CarbonylContact O-C 3.45Å; P157-S171 VanDerWaalsContact CA-OG 3.31Å; P157-S171 WeakPolarHBondContact CA-OG 3.24Å; P157-Q267 HydrophobicContact CB-CB 4.03Å; P157-Q267 HydrophobicContact CB-CG 3.78Å; P157-Q267 HydrophobicContact CG-CB 4.4Å; P157-Q267 HydrophobicContact CG-CG 3.92Å
158	G	94.7	Very high	91.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.			trans	-82	157.9	174.7	0	0	0	0	0	113.4	V155 L160 G161 S171 E172 D173	V155-G158 PolarHBondContact O-N 2.78Å; G158-L160 VanDerWaalsContact C-N 3.3Å; G158-L160 PolarHBondContact O-N 3.48Å; G158-G161 PolarHBondContact O-N 3.03Å; G158-S171 PolarHBondContact N-OG 3.19Å; G158-E172 CarbonylContact C-O 3.54Å; G158-E172 VanDerWaalsContact CA-O 3.27Å; G158-E172 WeakPolarHBondContact CA-O 3.26Å; G158-D173 WeakPolarHBondContact CA-OD1 3.44Å
159	L	96.7	Very high	91.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.6	-173.6	-177.6	69.6	0	0	0	113.4	W100 L103 L107 M114 L118 G161 E172 L174 Y252	W100-L159 HydrophobicContact CH2-CD2 3.78Å; W100-L159 HydrophobicContact CZ3-CD2 3.87Å; L103-L159 HydrophobicContact CD2-CD1 4.04Å; L103-L159 HydrophobicContact CD2-CD2 4.44Å; L107-L159 HydrophobicContact CD1-CD1 3.99Å; M114-L159 HydrophobicContact CE-CD1 4.25Å; M114-L159 HydrophobicContact CG-CB 4.38Å; M114-L159 HydrophobicContact CG-CD1 3.83Å; M114-L159 HydrophobicContact SD-CD1 4.2Å; L118-L159 HydrophobicContact CD2-CD1 4.22Å; L118-L159 HydrophobicContact CD2-CD2 3.71Å; L159-G161 PolarHBondContact O-N 3.49Å; L159-E172 PolarHBondContact N-O 2.84Å; L159-L174 HydrophobicContact CD2-CB 4.28Å; L159-L174 HydrophobicContact CD2-CD2 4.24Å; L159-Y252 PolarHBondContact O-OH 3.29Å
160	L	95.8	Very high	91	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	10	-175.3	-79.3	-62.3	0	0	0	112.7	G158 E172 L174 T197 W248 Y252 R270	G158-L160 VanDerWaalsContact C-N 3.3Å; G158-L160 PolarHBondContact O-N 3.48Å; L160-E172 WeakPolarHBondContact CA-O 3.35Å; L160-E172 HydrophobicContact CB-CB 4.03Å; L160-E172 HydrophobicContact CB-CG 3.99Å; L160-E172 WeakPolarHBondContact CB-O 3.39Å; L160-E172 PolarHBondContact N-O 3.23Å; L160-L174 HydrophobicContact CD2-CB 3.55Å; L160-L174 HydrophobicContact CD2-CD1 4.24Å; L160-L174 HydrophobicContact CD2-CG 4.38Å; L160-T197 HydrophobicContact CD2-CG2 4.41Å; L160-T197 HydrophobicContact CG-CG2 3.86Å; L160-W248 HydrophobicContact CD1-CH2 3.82Å; L160-W248 HydrophobicContact CD1-CZ2 3.63Å; L160-W248 HydrophobicContact CG-CH2 4.35Å; L160-W248 HydrophobicContact CG-CZ2 4.24Å; L160-Y252 WeakPolarHBondContact CA-OH 3.43Å; L160-Y252 HydrophobicContact CD1-CD1 4.01Å; L160-Y252 HydrophobicContact CD1-CD2 4.18Å; L160-Y252 HydrophobicContact CD1-CE1 4Å; L160-Y252 HydrophobicContact CD1-CE2 4.23Å; L160-Y252 HydrophobicContact CD1-CG 4.11Å; L160-R270 WeakPolarHBondContact O-CD 3.32Å
161	G	92.9	Very high	90.8	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	22%	0.218	C	C	.	.			trans	94.8	169.4	169.4	0	0	0	0	0	113.9	G158 L159 S171 E172 I268	G158-G161 PolarHBondContact O-N 3.03Å; L159-G161 PolarHBondContact O-N 3.49Å; G161-S171 WeakPolarHBondContact O-CA 3.07Å; G161-E172 PolarHBondContact O-N 3.21Å; G161-I268 CarbonylContact C-O 3.52Å; G161-I268 VanDerWaalsContact CA-O 3.29Å; G161-I268 WeakPolarHBondContact CA-O 3.18Å
162	S	93.1	Very high	90.8	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	166.3	-174.3	-59.5	0	0	0	0	110.7	R170 S171 Q267 I268 F269	S162-R170 CarbonylContact C-O 3.51Å; S162-R170 WeakPolarHBondContact CA-O 3.37Å; S162-R170 WeakPolarHBondContact CB-O 3.14Å; S162-S171 WeakPolarHBondContact OG-CB 3.07Å; S162-S171 PolarHBondContact OG-OG 3.44Å; S162-Q267 PolarHBondContact OG-OE1 3.39Å; S162-I268 PolarHBondContact N-O 3.34Å; S162-F269 WeakPolarHBondContact O-CA 3.14Å
163	M	89.6	Confident	90.9	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	144.6	171.8	-178.3	-141.8	-54.1	0	0	108.6	Y169 R170 L293	M163-Y169 WeakPolarHBondContact O-CA 3.33Å; M163-Y169 VanDerWaalsContact O-CD2 3.24Å; M163-Y169 WeakPolarHBondContact O-CD2 3.44Å; M163-R170 HydrophobicContact CB-CG 3.83Å; M163-R170 HydrophobicContact CE-CG 4.07Å; M163-R170 PolarHBondContact N-O 3.36Å; M163-R170 PolarHBondContact O-N 2.86Å; M163-R170 HydrophobicContact SD-CG 4.39Å; M163-L293 HydrophobicContact CE-CD1 3.46Å; M163-L293 VanDerWaalsContact CE-CD1 3.46Å; M163-L293 HydrophobicContact CE-CD2 3.93Å; M163-L293 HydrophobicContact CE-CG 3.34Å; M163-L293 HydrophobicContact SD-CD1 3.54Å; M163-L293 VanDerWaalsContact SD-CD1 3.54Å; M163-L293 HydrophobicContact SD-CD2 3.36Å; M163-L293 WeakPolarHBondContact SD-CD2 3.48Å; M163-L293 HydrophobicContact SD-CG 3.47Å; M163-L293 WeakPolarHBondContact SD-CG 3.43Å
164	A	86.2	Confident	91	Very high	37 Å²	37	33.4 Å²	33.4	31%	0.306	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.1	-178.1	0	0	0	0	0	110.5	H168 Y169 F269	A164-H168 CarbonylContact C-O 3.51Å; A164-H168 WeakPolarHBondContact CA-O 3.31Å; A164-Y169 HydrophobicContact CB-CD2 3.85Å; A164-Y169 HydrophobicContact CB-CE2 4.47Å; A164-F269 HydrophobicContact CB-CE1 4.14Å
165	L	85.2	Confident	91.2	Very high	30 Å²	30	29.8 Å²	29.8	16%	0.157	17%	0.174	C	C	.	.			trans	-123.1	174.8	163.8	-62.9	172.2	0	0	0	108.3	N167 H168 L293 F305 T307 T364 C366	L165-N167 PolarHBondContact O-N 2.89Å; L165-N167 VanDerWaalsContact O-N 3.14Å; L165-H168 HydrophobicContact CB-CB 4.16Å; L165-H168 PolarHBondContact N-O 3.41Å; L165-H168 PolarHBondContact O-N 2.88Å; L165-L293 HydrophobicContact CD1-CD2 4.37Å; L165-F305 HydrophobicContact CD1-CE1 4.04Å; L165-F305 HydrophobicContact CD1-CZ 4.3Å; L165-T307 HydrophobicContact CD1-CG2 3.64Å; L165-T307 HydrophobicContact CD2-CG2 3.74Å; L165-T307 HydrophobicContact CG-CG2 3.99Å; L165-T364 HydrophobicContact CD2-CG2 3.6Å; L165-C366 HydrophobicContact CD1-CB 4.43Å
166	S	76.1	Confident	91.5	Very high	130 Å²	130	27.8 Å²	27.8	91%	0.909	16%	0.161	S	C	*	.	S	Bend	trans	-55.2	-33.5	-175.2	41.3	0	0	0	0	114.8
167	N	81.2	Confident	91.8	Very high	145 Å²	145	24.4 Å²	24.4	78%	0.775	14%	0.141	S	C	*	.	S	Bend	trans	-126.7	6.9	-177.5	62.1	-24.4	0	0	0	113	L165	L165-N167 PolarHBondContact O-N 2.89Å; L165-N167 VanDerWaalsContact O-N 3.14Å
168	H	85.8	Confident	92	Very high	37 Å²	37	27.3 Å²	27.3	17%	0.171	16%	0.155	C	C	.	.			trans	-136	122.5	-175.5	-168	68.8	0	0	0	110	A164 L165 E295	A164-H168 CarbonylContact C-O 3.51Å; A164-H168 WeakPolarHBondContact CA-O 3.31Å; L165-H168 HydrophobicContact CB-CB 4.16Å; L165-H168 PolarHBondContact N-O 3.41Å; L165-H168 PolarHBondContact O-N 2.88Å; H168-E295 IonicContact CD2-OE1 2.84Å; H168-E295 IonicContact CE1-OE1 3.88Å; H168-E295 VanDerWaalsContact NE2-CD 3.34Å; H168-E295 IonicContact NE2-OE1 3.75Å; H168-E295 PolarHBondContact NE2-OE1 3.11Å
169	Y	89.7	Confident	92.1	Very high	67 Å²	67	30.3 Å²	30.3	26%	0.263	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138	173.6	177.1	-103.8	0	0	0	109.4	V156 M163 A164 H201 Q267	V156-Y169 HydrophobicContact CG1-CE1 4Å; M163-Y169 WeakPolarHBondContact O-CA 3.33Å; M163-Y169 VanDerWaalsContact O-CD2 3.24Å; M163-Y169 WeakPolarHBondContact O-CD2 3.44Å; A164-Y169 HydrophobicContact CB-CD2 3.85Å; A164-Y169 HydrophobicContact CB-CE2 4.47Å; Y169-H201 AromaticContact CD1-CD2 3.72Å; Y169-H201 AromaticContact CD1-CE1 3.7Å; Y169-H201 AromaticContact CD1-NE2 3.43Å; Y169-H201 WeakPolarHBondContact CD1-NE2 3.13Å; Y169-H201 AromaticContact CE1-CE1 3.43Å; Y169-H201 VanDerWaalsContact CE1-CE1 3.43Å; Y169-H201 WeakPolarHBondContact CE1-CE1 3.38Å; Y169-H201 AromaticContact CE1-NE2 3.45Å; Y169-H201 WeakPolarHBondContact CE1-NE2 3.33Å; Y169-H201 VanDerWaalsContact O-CB 3.23Å; Y169-H201 WeakPolarHBondContact O-CB 3.28Å; Y169-Q267 PolarHBondContact OH-OE1 2.73Å
170	R	90.8	Very high	92.1	Very high	8 Å²	8	30.3 Å²	30.3	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.1	172.3	60.5	176.5	-86	-169.4	4.7	111.7	S162 M163 E172 C199 T202 Y223 E295	S162-R170 CarbonylContact C-O 3.51Å; S162-R170 WeakPolarHBondContact CA-O 3.37Å; S162-R170 WeakPolarHBondContact CB-O 3.14Å; M163-R170 HydrophobicContact CB-CG 3.83Å; M163-R170 HydrophobicContact CE-CG 4.07Å; M163-R170 PolarHBondContact N-O 3.36Å; M163-R170 PolarHBondContact O-N 2.86Å; M163-R170 HydrophobicContact SD-CG 4.39Å; R170-E172 IonicContact NH2-OE2 2.73Å; R170-E172 PolarHBondContact NH2-OE2 3.21Å; R170-C199 VanDerWaalsContact CB-SG 3.54Å; R170-T202 HydrophobicContact CB-CG2 4.43Å; R170-Y223 PolarHBondContact NH2-OH 2.96Å; R170-E295 WeakPolarHBondContact CD-OE1 3.45Å; R170-E295 WeakPolarHBondContact CD-OE2 3.43Å; R170-E295 IonicContact CZ-OE1 2.69Å; R170-E295 IonicContact CZ-OE2 3.18Å; R170-E295 IonicContact NE-OE1 2.92Å; R170-E295 IonicContact NE-OE2 3.09Å; R170-E295 VanDerWaalsContact NH1-CD 3.26Å; R170-E295 IonicContact NH1-OE1 2.71Å; R170-E295 PolarHBondContact NH1-OE1 3.09Å; R170-E295 IonicContact NH1-OE2 2.82Å; R170-E295 PolarHBondContact NH1-OE2 2.92Å
171	S	93.6	Very high	92.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	132.4	174.1	-157.6	0	0	0	0	107.6	P157 G158 G161 S162 H201	P157-S171 VanDerWaalsContact CA-OG 3.31Å; P157-S171 WeakPolarHBondContact CA-OG 3.24Å; G158-S171 PolarHBondContact N-OG 3.19Å; G161-S171 WeakPolarHBondContact O-CA 3.07Å; S162-S171 WeakPolarHBondContact OG-CB 3.07Å; S162-S171 PolarHBondContact OG-OG 3.44Å; S171-H201 PolarHBondContact N-ND1 2.62Å
172	E	95.4	Very high	92.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.8	-166.3	-170.7	167	-171.8	0	0	111.2	G158 L159 L160 G161 R170 T197 Q206 Y223 R270	G158-E172 CarbonylContact C-O 3.54Å; G158-E172 VanDerWaalsContact CA-O 3.27Å; G158-E172 WeakPolarHBondContact CA-O 3.26Å; L159-E172 PolarHBondContact N-O 2.84Å; L160-E172 WeakPolarHBondContact CA-O 3.35Å; L160-E172 HydrophobicContact CB-CB 4.03Å; L160-E172 HydrophobicContact CB-CG 3.99Å; L160-E172 WeakPolarHBondContact CB-O 3.39Å; L160-E172 PolarHBondContact N-O 3.23Å; G161-E172 PolarHBondContact O-N 3.21Å; R170-E172 IonicContact NH2-OE2 2.73Å; R170-E172 PolarHBondContact NH2-OE2 3.21Å; E172-T197 HydrophobicContact CG-CG2 4.4Å; E172-T197 VanDerWaalsContact OE1-CB 3.31Å; E172-T197 WeakPolarHBondContact OE1-CB 3.39Å; E172-T197 PolarHBondContact OE1-OG1 3.41Å; E172-Q206 WeakPolarHBondContact OE1-CG 3.48Å; E172-Q206 PolarHBondContact OE1-NE2 3.44Å; E172-Q206 PolarHBondContact OE2-NE2 3.48Å; E172-Y223 PolarHBondContact OE1-OH 3.34Å; E172-Y223 PolarHBondContact OE2-OH 3.22Å; E172-R270 IonicContact OE2-NH1 3.57Å
173	D	97.2	Very high	92.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	148.9	-178.7	-69.1	-88.6	0	0	0	111.3	Q152 L154 V155 G158 T197 F198	Q152-D173 PolarHBondContact OE1-OD1 2.85Å; Q152-D173 VanDerWaalsContact OE1-OD1 3.13Å; L154-D173 HydrophobicContact CD2-CB 3.76Å; V155-D173 PolarHBondContact N-OD1 2.96Å; V155-D173 VanDerWaalsContact N-OD1 3.07Å; G158-D173 WeakPolarHBondContact CA-OD1 3.44Å; D173-T197 CarbonylContact O-C 3.58Å; D173-T197 WeakPolarHBondContact O-CA 3.47Å; D173-T197 VanDerWaalsContact O-CB 3.29Å; D173-T197 WeakPolarHBondContact O-CB 3.44Å; D173-F198 PolarHBondContact N-O 3.18Å; D173-F198 PolarHBondContact O-N 3.11Å
174	L	97.9	Very high	92.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.1	167.9	-172.8	59.5	0	0	0	108.8	W100 Q152 L159 L160 L196 W248	W100-L174 HydrophobicContact CH2-CD2 3.7Å; W100-L174 HydrophobicContact CZ2-CD2 3.89Å; Q152-L174 HydrophobicContact CB-CB 4.33Å; Q152-L174 WeakPolarHBondContact CB-O 3.4Å; Q152-L174 PolarHBondContact N-O 2.75Å; L159-L174 HydrophobicContact CD2-CB 4.28Å; L159-L174 HydrophobicContact CD2-CD2 4.24Å; L160-L174 HydrophobicContact CD2-CB 3.55Å; L160-L174 HydrophobicContact CD2-CD1 4.24Å; L160-L174 HydrophobicContact CD2-CG 4.38Å; L174-L196 HydrophobicContact CD1-CG 4.45Å; L174-W248 HydrophobicContact CD1-CH2 3.88Å; L174-W248 HydrophobicContact CD1-CZ3 4.34Å
175	L	98	Very high	93.1	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.042	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-70	143.8	179.9	-67	-179.2	0	0	0	111.2	Y146 L154 T179 A180 P195 L196 F198	Y146-L175 VanDerWaalsContact CE1-O 3.23Å; Y146-L175 WeakPolarHBondContact CE1-O 3.34Å; Y146-L175 PolarHBondContact OH-O 3Å; L154-L175 HydrophobicContact CD2-CD2 3.84Å; L175-T179 HydrophobicContact CD2-CG2 3.95Å; L175-A180 HydrophobicContact CB-CB 4.31Å; L175-P195 HydrophobicContact CD1-CB 3.95Å; L175-P195 HydrophobicContact CD1-CG 4.25Å; L175-L196 PolarHBondContact N-O 2.9Å; L175-F198 HydrophobicContact CD1-CB 4.21Å; L175-F198 HydrophobicContact CD2-CB 3.64Å; L175-F198 HydrophobicContact CG-CB 4.07Å
176	D	97.6	Very high	93.4	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.048	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-71.2	159.6	161.9	62.8	89	0	0	0	111.2	K119 N150 D178 T179 A180	K119-D176 HydrophobicContact CD-CB 3.93Å; K119-D176 IonicContact NZ-OD1 3.87Å; K119-D176 IonicContact NZ-OD2 3.21Å; K119-D176 PolarHBondContact NZ-OD2 3.42Å; N150-D176 WeakPolarHBondContact O-CA 3.3Å; N150-D176 VanDerWaalsContact O-CB 3.26Å; N150-D176 WeakPolarHBondContact O-CB 3.27Å; D176-D178 VanDerWaalsContact C-N 3.31Å; D176-D178 PolarHBondContact O-N 3.4Å; D176-D178 PolarHBondContact OD1-N 2.92Å; D176-T179 PolarHBondContact O-N 2.66Å; D176-T179 WeakPolarHBondContact OD1-CB 3.29Å; D176-T179 PolarHBondContact OD1-N 2.92Å; D176-T179 PolarHBondContact OD1-OG1 2.55Å; D176-T179 PolarHBondContact OD2-OG1 3.34Å; D176-A180 WeakPolarHBondContact O-CB 3.14Å; D176-A180 PolarHBondContact O-N 2.74Å
177	V	97.4	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-33.5	-171.2	71.8	0	0	0	0	113.1	L127 V130 L138 Y142 Y146 N150 A181	L127-V177 HydrophobicContact CD2-CB 4.33Å; L127-V177 HydrophobicContact CD2-CG1 4.17Å; L127-V177 HydrophobicContact CD2-CG2 3.91Å; V130-V177 HydrophobicContact CB-CG2 4.29Å; V130-V177 HydrophobicContact CG1-CG2 4.01Å; V130-V177 HydrophobicContact CG2-CG1 4.22Å; V130-V177 HydrophobicContact CG2-CG2 4Å; L138-V177 HydrophobicContact CD1-CG2 4.35Å; Y142-V177 HydrophobicContact CE1-CG2 4Å; Y146-V177 HydrophobicContact CD1-CB 3.75Å; Y146-V177 HydrophobicContact CE1-CB 4.04Å; N150-V177 WeakPolarHBondContact OD1-CG1 3.21Å; N150-V177 PolarHBondContact OD1-N 2.94Å; V177-A181 WeakPolarHBondContact O-CB 3.35Å; V177-A181 PolarHBondContact O-N 2.79Å
178	D	97	Very high	94.5	Very high	87 Å²	87	38.8 Å²	38.8	47%	0.465	20%	0.204	S	C	.	.	H	α-helix	trans	-71.7	-44.7	-179.6	-62	-50.7	0	0	0	110.8	D176 A180 A181 G182	D176-D178 VanDerWaalsContact C-N 3.31Å; D176-D178 PolarHBondContact O-N 3.4Å; D176-D178 PolarHBondContact OD1-N 2.92Å; D178-A180 VanDerWaalsContact C-N 3.33Å; D178-A181 WeakPolarHBondContact O-CB 3.31Å; D178-A181 PolarHBondContact O-N 3.01Å; D178-G182 PolarHBondContact O-N 3.39Å
179	T	96.8	Very high	94.6	Very high	63 Å²	63	37 Å²	37	39%	0.387	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-42.6	174.5	-57.6	0	0	0	0	110.8	L175 D176 A181 G182 G183	L175-T179 HydrophobicContact CD2-CG2 3.95Å; D176-T179 PolarHBondContact O-N 2.66Å; D176-T179 WeakPolarHBondContact OD1-CB 3.29Å; D176-T179 PolarHBondContact OD1-N 2.92Å; D176-T179 PolarHBondContact OD1-OG1 2.55Å; D176-T179 PolarHBondContact OD2-OG1 3.34Å; T179-A181 VanDerWaalsContact C-N 3.35Å; T179-A181 PolarHBondContact O-N 3.49Å; T179-G182 PolarHBondContact O-N 3.01Å; T179-G183 PolarHBondContact O-N 2.88Å
180	A	97.1	Very high	94.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-44.8	174.9	0	0	0	0	0	111.6	L175 D176 D178 G182 G183 F184 L194 P195	L175-A180 HydrophobicContact CB-CB 4.31Å; D176-A180 WeakPolarHBondContact O-CB 3.14Å; D176-A180 PolarHBondContact O-N 2.74Å; D178-A180 VanDerWaalsContact C-N 3.33Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 2.99Å; A180-G183 CarbonylContact O-C 3.54Å; A180-G183 WeakPolarHBondContact O-CA 3.33Å; A180-G183 PolarHBondContact O-N 3.14Å; A180-F184 PolarHBondContact O-N 3.04Å; A180-L194 HydrophobicContact CB-CD1 4.26Å; A180-L194 HydrophobicContact CB-CD2 4.07Å; A180-L194 HydrophobicContact CB-CG 4Å; A180-L194 VanDerWaalsContact O-CD1 3.23Å; A180-L194 WeakPolarHBondContact O-CD1 3.35Å; A180-P195 VanDerWaalsContact CB-O 3.23Å; A180-P195 WeakPolarHBondContact CB-O 3.42Å; A180-P195 WeakPolarHBondContact O-CD 3.22Å
181	A	97	Very high	94.8	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-37.9	177.7	0	0	0	0	0	112.8	V130 I134 V177 D178 T179 G183 F184	V130-A181 HydrophobicContact CB-CB 4.46Å; V130-A181 HydrophobicContact CG1-CB 3.68Å; V130-A181 HydrophobicContact CG2-CB 4.16Å; I134-A181 HydrophobicContact CG2-CB 4.07Å; V177-A181 WeakPolarHBondContact O-CB 3.35Å; V177-A181 PolarHBondContact O-N 2.79Å; D178-A181 WeakPolarHBondContact O-CB 3.31Å; D178-A181 PolarHBondContact O-N 3.01Å; T179-A181 VanDerWaalsContact C-N 3.35Å; T179-A181 PolarHBondContact O-N 3.49Å; A181-G183 PolarHBondContact O-N 3.39Å; A181-F184 VanDerWaalsContact O-CB 3.29Å; A181-F184 WeakPolarHBondContact O-CB 3.42Å; A181-F184 PolarHBondContact O-N 3.17Å
182	G	95.8	Very high	94.9	Very high	64 Å²	64	41 Å²	41	66%	0.66	21%	0.213	S	C	*	.	H	α-helix	trans	-62.8	-27.2	173.2	0	0	0	0	0	113.6	D178 T179 A180	D178-G182 PolarHBondContact O-N 3.39Å; T179-G182 PolarHBondContact O-N 3.01Å; A180-G182 VanDerWaalsContact C-N 3.33Å; A180-G182 PolarHBondContact O-N 2.99Å
183	G	94.5	Very high	95	Very high	23 Å²	23	41 Å²	41	24%	0.237	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	8.9	176.1	0	0	0	0	0	114.9	T179 A180 A181 Q185 P195	T179-G183 PolarHBondContact O-N 2.88Å; A180-G183 CarbonylContact O-C 3.54Å; A180-G183 WeakPolarHBondContact O-CA 3.33Å; A180-G183 PolarHBondContact O-N 3.14Å; A181-G183 PolarHBondContact O-N 3.39Å; G183-Q185 WeakPolarHBondContact O-CG 3.43Å; G183-Q185 PolarHBondContact O-N 3.41Å; G183-Q185 PolarHBondContact O-NE2 2.89Å; G183-P195 VanDerWaalsContact O-CD 3.27Å; G183-P195 WeakPolarHBondContact O-CD 3.32Å
184	F	96.7	Very high	95	Very high	29 Å²	29	41 Å²	41	13%	0.127	21%	0.213	C	C	.	.			trans	-57.9	130.5	-179.2	-178.7	-113.5	0	0	0	112	I134 C136 A180 A181 Q186 Y192 C193 L194 V210	I134-F184 HydrophobicContact CB-CB 4.47Å; I134-F184 HydrophobicContact CB-CD1 3.76Å; I134-F184 HydrophobicContact CB-CD2 4.23Å; I134-F184 HydrophobicContact CB-CE1 3.93Å; I134-F184 HydrophobicContact CB-CE2 4.39Å; I134-F184 HydrophobicContact CB-CG 3.9Å; I134-F184 HydrophobicContact CB-CZ 4.23Å; I134-F184 HydrophobicContact CD1-CD2 4.47Å; I134-F184 HydrophobicContact CD1-CE2 4.38Å; I134-F184 HydrophobicContact CG2-CB 3.83Å; I134-F184 HydrophobicContact CG2-CD1 4.06Å; I134-F184 HydrophobicContact CG2-CD2 4.28Å; I134-F184 HydrophobicContact CG2-CG 3.8Å; I134-F184 WeakPolarHBondContact O-CE1 3.35Å; C136-F184 HydrophobicContact CB-CZ 4.49Å; A180-F184 PolarHBondContact O-N 3.04Å; A181-F184 VanDerWaalsContact O-CB 3.29Å; A181-F184 WeakPolarHBondContact O-CB 3.42Å; A181-F184 PolarHBondContact O-N 3.17Å; F184-Q186 HydrophobicContact CD1-CG 4.02Å; F184-Q186 HydrophobicContact CE1-CG 3.75Å; F184-Y192 HydrophobicContact CZ-CD1 4.19Å; F184-C193 WeakPolarHBondContact CD2-O 3.3Å; F184-L194 HydrophobicContact CB-CD1 3.99Å; F184-L194 HydrophobicContact CD2-CB 4.31Å; F184-L194 HydrophobicContact CD2-CD1 3.79Å; F184-L194 HydrophobicContact CG-CD1 4.35Å; F184-V210 HydrophobicContact CE2-CG2 4.26Å
185	Q	94.5	Very high	95	Very high	39 Å²	39	41.3 Å²	41.3	18%	0.182	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-100.6	125.3	-170.8	-60.9	-67.9	-43.5	0	0	111.3	G183 L190 Y192 C193 Y207	G183-Q185 WeakPolarHBondContact O-CG 3.43Å; G183-Q185 PolarHBondContact O-N 3.41Å; G183-Q185 PolarHBondContact O-NE2 2.89Å; Q185-L190 CarbonylContact C-O 3.51Å; Q185-L190 HydrophobicContact CB-CB 3.56Å; Q185-L190 HydrophobicContact CB-CD1 4.44Å; Q185-L190 WeakPolarHBondContact CB-O 3.36Å; Q185-L190 HydrophobicContact CG-CB 3.94Å; Q185-L190 HydrophobicContact CG-CD1 3.88Å; Q185-L190 VanDerWaalsContact O-O 3.07Å; Q185-Y192 PolarHBondContact O-N 2.93Å; Q185-C193 HydrophobicContact CB-CB 4.32Å; Q185-C193 WeakPolarHBondContact CB-O 3.19Å; Q185-C193 PolarHBondContact N-O 3.21Å; Q185-C193 PolarHBondContact O-N 3.29Å; Q185-Y207 HydrophobicContact CG-CD1 4.5Å; Q185-Y207 HydrophobicContact CG-CE1 3.91Å
186	Q	91.6	Very high	94.9	Very high	131 Å²	131	40.9 Å²	40.9	61%	0.612	21%	0.213	S	C	*	.			trans	-118.3	-2.1	170.1	-64	-170.3	-0.3	0	0	112.7	F184	F184-Q186 HydrophobicContact CD1-CG 4.02Å; F184-Q186 HydrophobicContact CE1-CG 3.75Å
187	R	91.1	Very high	94.9	Very high	131 Å²	131	40.5 Å²	40.5	49%	0.494	21%	0.211	S	C	.	.	S	Bend	trans	-69.5	153.9	177.4	67.8	178.4	179.7	140	5.7	111	G189 L190 K191	R187-G189 PolarHBondContact O-N 3.41Å; R187-L190 HydrophobicContact CG-CB 4.35Å; R187-L190 CarbonylContact O-C 3.49Å; R187-L190 PolarHBondContact O-N 3.48Å; R187-L190 VanDerWaalsContact O-N 3.11Å; R187-K191 PolarHBondContact O-N 3.49Å; R187-K191 VanDerWaalsContact O-N 3.09Å
188	Q	88.4	Confident	94.9	Very high	113 Å²	113	43.5 Å²	43.5	53%	0.528	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	137.1	171.5	-175.7	168.4	5.7	0	0	110.3	L190 E214 N232 P233 A234	Q188-L190 VanDerWaalsContact C-N 3.3Å; Q188-L190 PolarHBondContact O-N 2.9Å; Q188-E214 WeakPolarHBondContact CA-OE1 3.18Å; Q188-N232 PolarHBondContact NE2-OD1 3.16Å; Q188-P233 WeakPolarHBondContact O-CB 3.37Å; Q188-A234 HydrophobicContact CG-CB 3.58Å
189	G	87.6	Confident	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-15.6	-175.7	0	0	0	0	0	115.7	R187 E214 R216 P233	R187-G189 PolarHBondContact O-N 3.41Å; G189-E214 WeakPolarHBondContact CA-OE2 3.32Å; G189-E214 VanDerWaalsContact N-CD 3.27Å; G189-E214 PolarHBondContact N-OE1 3.37Å; G189-E214 PolarHBondContact N-OE2 3.36Å; G189-R216 PolarHBondContact O-NH1 3.17Å; G189-P233 WeakPolarHBondContact CA-O 3.47Å
190	L	92.6	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-136.8	26.2	174.3	-74.8	179	0	0	0	112.2	Q185 R187 Q188 Y192 C193 Y207 E214 F222 Q224	Q185-L190 CarbonylContact C-O 3.51Å; Q185-L190 HydrophobicContact CB-CB 3.56Å; Q185-L190 HydrophobicContact CB-CD1 4.44Å; Q185-L190 WeakPolarHBondContact CB-O 3.36Å; Q185-L190 HydrophobicContact CG-CB 3.94Å; Q185-L190 HydrophobicContact CG-CD1 3.88Å; Q185-L190 VanDerWaalsContact O-O 3.07Å; R187-L190 HydrophobicContact CG-CB 4.35Å; R187-L190 CarbonylContact O-C 3.49Å; R187-L190 PolarHBondContact O-N 3.48Å; R187-L190 VanDerWaalsContact O-N 3.11Å; Q188-L190 VanDerWaalsContact C-N 3.3Å; Q188-L190 PolarHBondContact O-N 2.9Å; L190-Y192 PolarHBondContact O-N 2.84Å; L190-C193 HydrophobicContact CB-CB 4.34Å; L190-C193 HydrophobicContact CD2-CB 4.28Å; L190-C193 VanDerWaalsContact O-CB 3.29Å; L190-C193 WeakPolarHBondContact O-CB 3.13Å; L190-C193 PolarHBondContact O-N 3.06Å; L190-C193 VanDerWaalsContact O-N 3.14Å; L190-C193 PolarHBondContact O-SG 3.42Å; L190-Y207 HydrophobicContact CD1-CE1 4.21Å; L190-Y207 HydrophobicContact CD1-CE2 4.33Å; L190-Y207 HydrophobicContact CD2-CD2 4.37Å; L190-Y207 HydrophobicContact CD2-CG 4.41Å; L190-E214 PolarHBondContact N-OE2 2.85Å; L190-F222 HydrophobicContact CD2-CE2 3.93Å; L190-F222 HydrophobicContact CD2-CZ 3.9Å; L190-Q224 VanDerWaalsContact CD2-CD 3.45Å; L190-Q224 HydrophobicContact CD2-CG 3.78Å; L190-Q224 VanDerWaalsContact CD2-NE2 3.27Å
191	K	93.8	Very high	93.8	Very high	84 Å²	84	44.2 Å²	44.2	37%	0.365	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	129.3	-175.7	-159.7	-176.5	-176	-178.6	0	111.3	R187 C193 E214 R216	R187-K191 PolarHBondContact O-N 3.49Å; R187-K191 VanDerWaalsContact O-N 3.09Å; K191-C193 VanDerWaalsContact C-N 3.31Å; K191-E214 HydrophobicContact CB-CG 4.44Å; K191-E214 PolarHBondContact N-OE2 2.94Å; K191-E214 VanDerWaalsContact N-OE2 3.14Å; K191-R216 VanDerWaalsContact N-NH2 3.13Å; K191-R216 PolarHBondContact O-NH2 2.95Å
192	Y	96.2	Very high	93.4	Very high	74 Å²	74	46.5 Å²	46.5	29%	0.29	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	31.1	-178.3	-48.6	-68.4	0	0	0	114.3	F184 Q185 L190 V210 E211 A213	F184-Y192 HydrophobicContact CZ-CD1 4.19Å; Q185-Y192 PolarHBondContact O-N 2.93Å; L190-Y192 PolarHBondContact O-N 2.84Å; Y192-V210 WeakPolarHBondContact O-CB 3.44Å; Y192-V210 PolarHBondContact O-N 3.06Å; Y192-E211 HydrophobicContact CD2-CB 4.12Å; Y192-E211 HydrophobicContact CG-CB 4.02Å; Y192-E211 HydrophobicContact CG-CG 4.5Å; Y192-A213 HydrophobicContact CD2-CB 3.71Å; Y192-A213 HydrophobicContact CE2-CB 4.26Å
193	C	96.7	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.6	177.4	-61.9	0	0	0	0	111.3	F184 Q185 L190 K191 Y207 I208 R216 F222	F184-C193 WeakPolarHBondContact CD2-O 3.3Å; Q185-C193 HydrophobicContact CB-CB 4.32Å; Q185-C193 WeakPolarHBondContact CB-O 3.19Å; Q185-C193 PolarHBondContact N-O 3.21Å; Q185-C193 PolarHBondContact O-N 3.29Å; L190-C193 HydrophobicContact CB-CB 4.34Å; L190-C193 HydrophobicContact CD2-CB 4.28Å; L190-C193 VanDerWaalsContact O-CB 3.29Å; L190-C193 WeakPolarHBondContact O-CB 3.13Å; L190-C193 PolarHBondContact O-N 3.06Å; L190-C193 VanDerWaalsContact O-N 3.14Å; L190-C193 PolarHBondContact O-SG 3.42Å; K191-C193 VanDerWaalsContact C-N 3.31Å; C193-Y207 HydrophobicContact CB-CD1 4.12Å; C193-Y207 HydrophobicContact CB-CG 4.48Å; C193-I208 WeakPolarHBondContact CA-O 3.27Å; C193-R216 VanDerWaalsContact SG-CZ 3.58Å; C193-F222 HydrophobicContact CB-CZ 4.37Å
194	L	97	Very high	92.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.1	175.7	-167.3	76.9	0	0	0	109	L138 Y142 A180 F184 L196 Y207 I208 V210	L138-L194 HydrophobicContact CD2-CD2 3.97Å; Y142-L194 HydrophobicContact CE1-CD2 4.29Å; Y142-L194 HydrophobicContact CE2-CD2 4.31Å; A180-L194 HydrophobicContact CB-CD1 4.26Å; A180-L194 HydrophobicContact CB-CD2 4.07Å; A180-L194 HydrophobicContact CB-CG 4Å; A180-L194 VanDerWaalsContact O-CD1 3.23Å; A180-L194 WeakPolarHBondContact O-CD1 3.35Å; F184-L194 HydrophobicContact CB-CD1 3.99Å; F184-L194 HydrophobicContact CD2-CB 4.31Å; F184-L194 HydrophobicContact CD2-CD1 3.79Å; F184-L194 HydrophobicContact CG-CD1 4.35Å; L194-L196 PolarHBondContact O-N 2.95Å; L194-Y207 CarbonylContact O-C 3.57Å; L194-Y207 WeakPolarHBondContact O-CA 3.39Å; L194-I208 HydrophobicContact CB-CG2 3.88Å; L194-I208 PolarHBondContact N-O 3.19Å; L194-I208 PolarHBondContact O-N 2.91Å; L194-V210 HydrophobicContact CB-CG2 3.87Å
195	P	97.4	Very high	92.7	Very high	7 Å²	7	45 Å²	45	5%	0.045	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128	173.3	27.3	-31.8	0	0	0	109.4	L175 A180 G183 Y207	L175-P195 HydrophobicContact CD1-CB 3.95Å; L175-P195 HydrophobicContact CD1-CG 4.25Å; A180-P195 VanDerWaalsContact CB-O 3.23Å; A180-P195 WeakPolarHBondContact CB-O 3.42Å; A180-P195 WeakPolarHBondContact O-CD 3.22Å; G183-P195 VanDerWaalsContact O-CD 3.27Å; G183-P195 WeakPolarHBondContact O-CD 3.32Å; P195-Y207 HydrophobicContact CB-CD1 4.13Å; P195-Y207 HydrophobicContact CB-CE1 3.86Å
196	L	97.1	Very high	92.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.			trans	-96.7	-38.6	-176.9	-167.8	58.9	0	0	0	111.5	Y142 L174 L175 L194 Q206 V221 F245 W248	Y142-L196 HydrophobicContact CD2-CD1 3.89Å; Y142-L196 HydrophobicContact CE2-CD1 3.46Å; Y142-L196 VanDerWaalsContact CE2-CD1 3.46Å; L174-L196 HydrophobicContact CD1-CG 4.45Å; L175-L196 PolarHBondContact N-O 2.9Å; L194-L196 PolarHBondContact O-N 2.95Å; L196-Q206 HydrophobicContact CB-CB 4.44Å; L196-Q206 PolarHBondContact N-O 2.87Å; L196-V221 HydrophobicContact CD2-CG1 3.77Å; L196-V221 HydrophobicContact CD2-CG2 4.37Å; L196-F245 HydrophobicContact CD1-CD2 3.94Å; L196-F245 HydrophobicContact CD1-CE2 3.8Å; L196-F245 HydrophobicContact CD2-CD2 4.18Å; L196-F245 HydrophobicContact CD2-CE2 4.36Å; L196-W248 HydrophobicContact CD2-CD2 3.98Å; L196-W248 HydrophobicContact CD2-CE3 3.74Å; L196-W248 HydrophobicContact CD2-CH2 3.59Å; L196-W248 HydrophobicContact CD2-CZ2 3.82Å; L196-W248 HydrophobicContact CD2-CZ3 3.56Å; L196-W248 HydrophobicContact CG-CH2 3.91Å; L196-W248 HydrophobicContact CG-CZ2 4.39Å; L196-W248 HydrophobicContact CG-CZ3 4.13Å
197	T	97.4	Very high	93	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	165.7	-177.9	64.9	0	0	0	0	110	L160 E172 D173 S205 Q206 W248	L160-T197 HydrophobicContact CD2-CG2 4.41Å; L160-T197 HydrophobicContact CG-CG2 3.86Å; E172-T197 HydrophobicContact CG-CG2 4.4Å; E172-T197 VanDerWaalsContact OE1-CB 3.31Å; E172-T197 WeakPolarHBondContact OE1-CB 3.39Å; E172-T197 PolarHBondContact OE1-OG1 3.41Å; D173-T197 CarbonylContact O-C 3.58Å; D173-T197 WeakPolarHBondContact O-CA 3.47Å; D173-T197 VanDerWaalsContact O-CB 3.29Å; D173-T197 WeakPolarHBondContact O-CB 3.44Å; T197-S205 WeakPolarHBondContact O-CA 3.28Å; T197-S205 WeakPolarHBondContact O-CB 3.18Å; T197-S205 PolarHBondContact O-OG 2.96Å; T197-Q206 HydrophobicContact CG2-CB 4.17Å; T197-Q206 HydrophobicContact CG2-CG 4.33Å; T197-Q206 WeakPolarHBondContact OG1-CB 3.46Å; T197-Q206 VanDerWaalsContact OG1-CG 3.3Å; T197-Q206 WeakPolarHBondContact OG1-CG 3.36Å; T197-Q206 PolarHBondContact OG1-N 3.35Å; T197-W248 HydrophobicContact CG2-CH2 4.14Å; T197-W248 HydrophobicContact CG2-CZ2 3.91Å
198	F	96	Very high	93.3	Very high	64 Å²	64	32 Å²	32	28%	0.281	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	131.7	172.8	-178.1	-111.4	0	0	0	110.8	L154 D173 L175 I200	L154-F198 HydrophobicContact CD2-CD1 4.47Å; D173-F198 PolarHBondContact N-O 3.18Å; D173-F198 PolarHBondContact O-N 3.11Å; L175-F198 HydrophobicContact CD1-CB 4.21Å; L175-F198 HydrophobicContact CD2-CB 3.64Å; L175-F198 HydrophobicContact CG-CB 4.07Å; F198-I200 HydrophobicContact CD1-CG1 3.95Å; F198-I200 HydrophobicContact CE1-CB 4.34Å; F198-I200 HydrophobicContact CE1-CG1 3.9Å
199	C	94.1	Very high	93.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.6	170	179.7	0	0	0	0	109.9	R170 H201 T202 G203 L204	R170-C199 VanDerWaalsContact CB-SG 3.54Å; C199-H201 PolarHBondContact O-N 3.26Å; C199-T202 PolarHBondContact O-N 2.97Å; C199-T202 PolarHBondContact SG-OG1 3.2Å; C199-G203 VanDerWaalsContact O-CA 3.31Å; C199-G203 WeakPolarHBondContact O-CA 3.29Å; C199-G203 PolarHBondContact O-N 3.47Å; C199-L204 HydrophobicContact CB-CB 4.47Å; C199-L204 WeakPolarHBondContact CB-O 3.41Å; C199-L204 PolarHBondContact N-O 3.29Å
200	I	86.3	Confident	94.1	Very high	77 Å²	77	26.6 Å²	26.6	40%	0.395	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.8	-177.8	-61	168.9	0	0	0	112.4	L154 V156 F198	L154-I200 HydrophobicContact CB-CD1 4.3Å; V156-I200 HydrophobicContact CG2-CD1 4.27Å; F198-I200 HydrophobicContact CD1-CG1 3.95Å; F198-I200 HydrophobicContact CE1-CB 4.34Å; F198-I200 HydrophobicContact CE1-CG1 3.9Å
201	H	88.6	Confident	94.3	Very high	87 Å²	87	29.6 Å²	29.6	40%	0.403	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-35.4	-173.9	-55.1	86.8	0	0	0	112.8	Y169 S171 C199	Y169-H201 AromaticContact CD1-CD2 3.72Å; Y169-H201 AromaticContact CD1-CE1 3.7Å; Y169-H201 AromaticContact CD1-NE2 3.43Å; Y169-H201 WeakPolarHBondContact CD1-NE2 3.13Å; Y169-H201 AromaticContact CE1-CE1 3.43Å; Y169-H201 VanDerWaalsContact CE1-CE1 3.43Å; Y169-H201 WeakPolarHBondContact CE1-CE1 3.38Å; Y169-H201 AromaticContact CE1-NE2 3.45Å; Y169-H201 WeakPolarHBondContact CE1-NE2 3.33Å; Y169-H201 VanDerWaalsContact O-CB 3.23Å; Y169-H201 WeakPolarHBondContact O-CB 3.28Å; S171-H201 PolarHBondContact N-ND1 2.62Å; C199-H201 PolarHBondContact O-N 3.26Å
202	T	87.5	Confident	94.3	Very high	53 Å²	53	28.9 Å²	28.9	33%	0.325	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-9.9	-174.2	62.9	0	0	0	0	113.3	R170 C199 L204 E295	R170-T202 HydrophobicContact CB-CG2 4.43Å; C199-T202 PolarHBondContact O-N 2.97Å; C199-T202 PolarHBondContact SG-OG1 3.2Å; T202-L204 PolarHBondContact O-N 3.24Å; T202-L204 VanDerWaalsContact O-N 3.16Å; T202-L204 WeakPolarHBondContact OG1-CB 3.36Å; T202-E295 WeakPolarHBondContact CB-OE2 3.43Å; T202-E295 WeakPolarHBondContact CG2-OE2 3.47Å; T202-E295 PolarHBondContact OG1-OE2 2.84Å
203	G	88.4	Confident	94.1	Very high	45 Å²	45	26.1 Å²	26.1	46%	0.464	15%	0.154	S	C	.	.			trans	71.9	-4.5	-174.2	0	0	0	0	0	114.1	C199	C199-G203 VanDerWaalsContact O-CA 3.31Å; C199-G203 WeakPolarHBondContact O-CA 3.29Å; C199-G203 PolarHBondContact O-N 3.47Å
204	L	89.8	Confident	93.6	Very high	30 Å²	30	28.9 Å²	28.9	16%	0.157	17%	0.167	C	C	.	.			trans	-67.3	141.4	-178.1	-167.2	79.6	0	0	0	111.3	C199 T202 Y223 E295	C199-L204 HydrophobicContact CB-CB 4.47Å; C199-L204 WeakPolarHBondContact CB-O 3.41Å; C199-L204 PolarHBondContact N-O 3.29Å; T202-L204 PolarHBondContact O-N 3.24Å; T202-L204 VanDerWaalsContact O-N 3.16Å; T202-L204 WeakPolarHBondContact OG1-CB 3.36Å; L204-Y223 HydrophobicContact CD2-CD1 3.63Å; L204-Y223 HydrophobicContact CD2-CE1 3.57Å; L204-Y223 HydrophobicContact CG-CD1 4.06Å; L204-Y223 HydrophobicContact CG-CE1 4.23Å; L204-E295 HydrophobicContact CD1-CB 4.34Å; L204-E295 HydrophobicContact CD2-CB 3.59Å; L204-E295 HydrophobicContact CG-CB 4.44Å
205	S	94.7	Very high	93	Very high	11 Å²	11	30.3 Å²	30.3	8%	0.077	18%	0.182	C	C	.	.			trans	-127.4	144.8	176	-57.2	0	0	0	0	110.5	T197 Y207	T197-S205 WeakPolarHBondContact O-CA 3.28Å; T197-S205 WeakPolarHBondContact O-CB 3.18Å; T197-S205 PolarHBondContact O-OG 2.96Å; S205-Y207 WeakPolarHBondContact O-CE2 3.17Å
206	Q	95.8	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	146.3	157.6	-62.5	169.8	46.6	0	0	108.2	E172 L196 T197 F222 Y223 I241 W248	E172-Q206 WeakPolarHBondContact OE1-CG 3.48Å; E172-Q206 PolarHBondContact OE1-NE2 3.44Å; E172-Q206 PolarHBondContact OE2-NE2 3.48Å; L196-Q206 HydrophobicContact CB-CB 4.44Å; L196-Q206 PolarHBondContact N-O 2.87Å; T197-Q206 HydrophobicContact CG2-CB 4.17Å; T197-Q206 HydrophobicContact CG2-CG 4.33Å; T197-Q206 WeakPolarHBondContact OG1-CB 3.46Å; T197-Q206 VanDerWaalsContact OG1-CG 3.3Å; T197-Q206 WeakPolarHBondContact OG1-CG 3.36Å; T197-Q206 PolarHBondContact OG1-N 3.35Å; Q206-F222 WeakPolarHBondContact CA-O 3.28Å; Q206-Y223 HydrophobicContact CB-CE1 4.34Å; Q206-Y223 HydrophobicContact CG-CD1 3.74Å; Q206-Y223 HydrophobicContact CG-CD2 4.21Å; Q206-Y223 HydrophobicContact CG-CE1 3.18Å; Q206-Y223 HydrophobicContact CG-CE2 3.72Å; Q206-Y223 HydrophobicContact CG-CG 4.23Å; Q206-Y223 PolarHBondContact NE2-OH 2.93Å; Q206-I241 HydrophobicContact CB-CD1 4.2Å; Q206-I241 VanDerWaalsContact CD-CD1 3.44Å; Q206-I241 HydrophobicContact CG-CD1 3.65Å; Q206-W248 VanDerWaalsContact OE1-CZ2 3.25Å
207	Y	97.1	Very high	92.4	Very high	27 Å²	27	34.4 Å²	34.4	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.9	178.5	-66.6	-88.2	0	0	0	110.8	Q185 L190 C193 L194 P195 S205 V221 F222	Q185-Y207 HydrophobicContact CG-CD1 4.5Å; Q185-Y207 HydrophobicContact CG-CE1 3.91Å; L190-Y207 HydrophobicContact CD1-CE1 4.21Å; L190-Y207 HydrophobicContact CD1-CE2 4.33Å; L190-Y207 HydrophobicContact CD2-CD2 4.37Å; L190-Y207 HydrophobicContact CD2-CG 4.41Å; C193-Y207 HydrophobicContact CB-CD1 4.12Å; C193-Y207 HydrophobicContact CB-CG 4.48Å; L194-Y207 CarbonylContact O-C 3.57Å; L194-Y207 WeakPolarHBondContact O-CA 3.39Å; P195-Y207 HydrophobicContact CB-CD1 4.13Å; P195-Y207 HydrophobicContact CB-CE1 3.86Å; S205-Y207 WeakPolarHBondContact O-CE2 3.17Å; Y207-V221 CarbonylContact O-C 3.41Å; Y207-V221 VanDerWaalsContact O-CA 3.26Å; Y207-V221 WeakPolarHBondContact O-CA 3.33Å; Y207-F222 HydrophobicContact CD2-CE2 4.4Å; Y207-F222 HydrophobicContact CG-CZ 4.33Å; Y207-F222 PolarHBondContact N-O 3.42Å; Y207-F222 PolarHBondContact O-N 3.48Å
208	I	97.6	Very high	92.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.2	164.2	-173	168	0	0	0	109.5	P139 C193 L194 V210 E220 V221 F245	P139-I208 HydrophobicContact CG-CD1 4.06Å; C193-I208 WeakPolarHBondContact CA-O 3.27Å; L194-I208 HydrophobicContact CB-CG2 3.88Å; L194-I208 PolarHBondContact N-O 3.19Å; L194-I208 PolarHBondContact O-N 2.91Å; I208-V210 PolarHBondContact O-N 3.2Å; I208-E220 WeakPolarHBondContact CA-O 3.47Å; I208-V221 HydrophobicContact CB-CG2 4.37Å; I208-V221 HydrophobicContact CD1-CG2 4.25Å; I208-V221 HydrophobicContact CG1-CG2 4.18Å; I208-F245 HydrophobicContact CD1-CB 4.14Å
209	A	96.7	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.9	174.2	0	0	0	0	0	110.2	R216 N217 N219 E220 F222	A209-R216 HydrophobicContact CB-CB 4.33Å; A209-N217 WeakPolarHBondContact CB-O 3.26Å; A209-N219 WeakPolarHBondContact O-CA 3.39Å; A209-N219 PolarHBondContact O-N 2.65Å; A209-E220 PolarHBondContact N-O 2.87Å; A209-F222 HydrophobicContact CB-CE1 4.41Å
210	V	96.8	Very high	92.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-79	-27.9	-178.4	-173.1	0	0	0	0	111.3	C136 K137 F184 Y192 L194 I208 K218	C136-V210 HydrophobicContact CB-CG1 3.84Å; K137-V210 WeakPolarHBondContact O-CG1 3.45Å; F184-V210 HydrophobicContact CE2-CG2 4.26Å; Y192-V210 WeakPolarHBondContact O-CB 3.44Å; Y192-V210 PolarHBondContact O-N 3.06Å; L194-V210 HydrophobicContact CB-CG2 3.87Å; I208-V210 PolarHBondContact O-N 3.2Å; V210-K218 WeakPolarHBondContact O-CE 3.42Å; V210-K218 PolarHBondContact O-NZ 3.14Å
211	E	95.8	Very high	92.9	Very high	63 Å²	63	34.4 Å²	34.4	29%	0.294	20%	0.202	S	C	.	.	S	Bend	trans	-132.6	158.9	171	-69.8	-61.3	166.8	0	0	111.2	Y192 A213 K218	Y192-E211 HydrophobicContact CD2-CB 4.12Å; Y192-E211 HydrophobicContact CG-CB 4.02Å; Y192-E211 HydrophobicContact CG-CG 4.5Å; E211-A213 PolarHBondContact O-N 3.24Å; E211-K218 IonicContact OE1-NZ 3.91Å; E211-K218 PolarHBondContact OE1-NZ 3.28Å; E211-K218 IonicContact OE2-NZ 2.74Å; E211-K218 PolarHBondContact OE2-NZ 3.3Å
212	A	93.5	Very high	93.2	Very high	68 Å²	68	30.2 Å²	30.2	56%	0.562	18%	0.183	S	C	*	.			trans	-74.1	115.4	172.1	0	0	0	0	0	109.6	R216 K218	A212-R216 WeakPolarHBondContact CA-O 3.31Å; A212-K218 HydrophobicContact CB-CB 4.37Å
213	A	91.5	Very high	93.5	Very high	16 Å²	16	27.9 Å²	27.9	13%	0.132	17%	0.168	C	C	.	.			trans	-157	151.3	179.6	0	0	0	0	0	110.8	Y192 E211 G215 R216	Y192-A213 HydrophobicContact CD2-CB 3.71Å; Y192-A213 HydrophobicContact CE2-CB 4.26Å; E211-A213 PolarHBondContact O-N 3.24Å; A213-G215 PolarHBondContact O-N 2.8Å; A213-G215 VanDerWaalsContact O-N 3.15Å; A213-R216 PolarHBondContact N-O 3.49Å; A213-R216 WeakPolarHBondContact O-CB 3.38Å; A213-R216 PolarHBondContact O-N 3.29Å; A213-R216 PolarHBondContact O-NE 2.95Å
214	E	87.5	Confident	93.7	Very high	59 Å²	59	26.9 Å²	26.9	28%	0.276	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	35.2	175.8	-54.7	179.1	141.8	0	0	112.5	Q188 G189 L190 K191 R216	Q188-E214 WeakPolarHBondContact CA-OE1 3.18Å; G189-E214 WeakPolarHBondContact CA-OE2 3.32Å; G189-E214 VanDerWaalsContact N-CD 3.27Å; G189-E214 PolarHBondContact N-OE1 3.37Å; G189-E214 PolarHBondContact N-OE2 3.36Å; L190-E214 PolarHBondContact N-OE2 2.85Å; K191-E214 HydrophobicContact CB-CG 4.44Å; K191-E214 PolarHBondContact N-OE2 2.94Å; K191-E214 VanDerWaalsContact N-OE2 3.14Å; E214-R216 VanDerWaalsContact C-N 3.29Å; E214-R216 PolarHBondContact O-N 3.31Å; E214-R216 IonicContact OE2-CZ 3.23Å; E214-R216 IonicContact OE2-NH1 2.8Å; E214-R216 IonicContact OE2-NH2 2.8Å; E214-R216 PolarHBondContact OE2-NH2 3.33Å
215	G	83.3	Confident	93.6	Very high	29 Å²	29	25.7 Å²	25.7	30%	0.299	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-2	179.9	0	0	0	0	0	115.9	A213 R407	A213-G215 PolarHBondContact O-N 2.8Å; A213-G215 VanDerWaalsContact O-N 3.15Å; G215-R407 WeakPolarHBondContact O-CD 3.2Å; G215-R407 PolarHBondContact O-NH1 2.87Å; G215-R407 VanDerWaalsContact O-NH1 3.08Å
216	R	90.1	Very high	93.1	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.011	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-80.3	145.6	173.6	-67.4	176.2	-73.9	-107.3	0.1	111.9	G189 K191 C193 A209 A212 A213 E214 M238	G189-R216 PolarHBondContact O-NH1 3.17Å; K191-R216 VanDerWaalsContact N-NH2 3.13Å; K191-R216 PolarHBondContact O-NH2 2.95Å; C193-R216 VanDerWaalsContact SG-CZ 3.58Å; A209-R216 HydrophobicContact CB-CB 4.33Å; A212-R216 WeakPolarHBondContact CA-O 3.31Å; A213-R216 PolarHBondContact N-O 3.49Å; A213-R216 WeakPolarHBondContact O-CB 3.38Å; A213-R216 PolarHBondContact O-N 3.29Å; A213-R216 PolarHBondContact O-NE 2.95Å; E214-R216 VanDerWaalsContact C-N 3.29Å; E214-R216 PolarHBondContact O-N 3.31Å; E214-R216 IonicContact OE2-CZ 3.23Å; E214-R216 IonicContact OE2-NH1 2.8Å; E214-R216 IonicContact OE2-NH2 2.8Å; E214-R216 PolarHBondContact OE2-NH2 3.33Å; R216-M238 VanDerWaalsContact CD-SD 3.56Å; R216-M238 HydrophobicContact CG-CE 4.37Å; R216-M238 HydrophobicContact CG-SD 3.7Å
217	N	92.7	Very high	92.4	Very high	91 Å²	91	28.5 Å²	28.5	49%	0.487	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-80.6	144.3	170.2	-69.7	-34.6	0	0	0	110.3	A209 E220 R407	A209-N217 WeakPolarHBondContact CB-O 3.26Å; N217-E220 HydrophobicContact CB-CB 4.29Å; N217-E220 VanDerWaalsContact O-CB 3.27Å; N217-E220 WeakPolarHBondContact O-CB 3.49Å; N217-E220 PolarHBondContact O-N 3.22Å; N217-R407 PolarHBondContact ND2-NH2 3.32Å; N217-R407 VanDerWaalsContact ND2-NH2 3.15Å
218	K	95.3	Very high	91.1	Very high	82 Å²	82	36.6 Å²	36.6	36%	0.357	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	139.9	170.5	-178.7	168.2	-173.3	149.4	0	110.2	V210 E211 A212 E220	V210-K218 WeakPolarHBondContact O-CE 3.42Å; V210-K218 PolarHBondContact O-NZ 3.14Å; E211-K218 IonicContact OE1-NZ 3.91Å; E211-K218 PolarHBondContact OE1-NZ 3.28Å; E211-K218 IonicContact OE2-NZ 2.74Å; E211-K218 PolarHBondContact OE2-NZ 3.3Å; A212-K218 HydrophobicContact CB-CB 4.37Å; K218-E220 PolarHBondContact O-N 3.02Å
219	N	96	Very high	89.9	Confident	43 Å²	43	37.7 Å²	37.7	23%	0.23	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-3.4	-177.1	-48	-35.4	0	0	0	116.2	P139 A209 A243 T244	P139-N219 WeakPolarHBondContact CB-OD1 3.3Å; P139-N219 WeakPolarHBondContact CG-OD1 3.37Å; A209-N219 WeakPolarHBondContact O-CA 3.39Å; A209-N219 PolarHBondContact O-N 2.65Å; N219-A243 CarbonylContact C-O 3.55Å; N219-T244 HydrophobicContact CB-CG2 4.28Å; N219-T244 WeakPolarHBondContact O-CA 3.24Å
220	E	95.4	Very high	88.8	Confident	15 Å²	15	38.6 Å²	38.6	7%	0.07	21%	0.214	C	C	.	.			trans	-66.1	135.4	-179.4	-167.7	168.3	-116.8	0	0	110.7	I208 A209 N217 K218 I240 R407	I208-E220 WeakPolarHBondContact CA-O 3.47Å; A209-E220 PolarHBondContact N-O 2.87Å; N217-E220 HydrophobicContact CB-CB 4.29Å; N217-E220 VanDerWaalsContact O-CB 3.27Å; N217-E220 WeakPolarHBondContact O-CB 3.49Å; N217-E220 PolarHBondContact O-N 3.22Å; K218-E220 PolarHBondContact O-N 3.02Å; E220-I240 HydrophobicContact CG-CD1 4Å; E220-I240 HydrophobicContact CG-CG2 3.7Å; E220-R407 IonicContact OE1-CZ 2.85Å; E220-R407 IonicContact OE1-NH2 3.27Å; E220-R407 PolarHBondContact OE1-NH2 2.89Å; E220-R407 IonicContact OE2-CZ 2.74Å; E220-R407 IonicContact OE2-NE 3.72Å; E220-R407 PolarHBondContact OE2-NE 2.89Å; E220-R407 IonicContact OE2-NH2 3.54Å; E220-R407 PolarHBondContact OE2-NH2 3.36Å
221	V	97.3	Very high	87.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.2	177.5	-171.4	0	0	0	0	109.1	L196 Y207 I208 I241 G242 W248	L196-V221 HydrophobicContact CD2-CG1 3.77Å; L196-V221 HydrophobicContact CD2-CG2 4.37Å; Y207-V221 CarbonylContact O-C 3.41Å; Y207-V221 VanDerWaalsContact O-CA 3.26Å; Y207-V221 WeakPolarHBondContact O-CA 3.33Å; I208-V221 HydrophobicContact CB-CG2 4.37Å; I208-V221 HydrophobicContact CD1-CG2 4.25Å; I208-V221 HydrophobicContact CG1-CG2 4.18Å; V221-I241 HydrophobicContact CB-CG1 4.23Å; V221-I241 HydrophobicContact CG1-CD1 3.97Å; V221-I241 HydrophobicContact CG1-CG1 3.86Å; V221-I241 VanDerWaalsContact O-CG1 3.31Å; V221-I241 WeakPolarHBondContact O-CG1 2.86Å; V221-I241 PolarHBondContact O-N 2.94Å; V221-G242 PolarHBondContact N-O 3.5Å; V221-G242 PolarHBondContact O-N 2.56Å; V221-W248 HydrophobicContact CB-CB 4.33Å; V221-W248 HydrophobicContact CB-CG 4.28Å; V221-W248 HydrophobicContact CG1-CD2 4.31Å; V221-W248 HydrophobicContact CG1-CG 4Å; V221-W248 HydrophobicContact CG2-CB 4.07Å; V221-W248 HydrophobicContact CG2-CG 4.29Å
222	F	95.7	Very high	87.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.8	-171.5	67.5	-83.6	0	0	0	113.8	L190 C193 Q206 Y207 A209 Q224 M238 F239 I240	L190-F222 HydrophobicContact CD2-CE2 3.93Å; L190-F222 HydrophobicContact CD2-CZ 3.9Å; C193-F222 HydrophobicContact CB-CZ 4.37Å; Q206-F222 WeakPolarHBondContact CA-O 3.28Å; Y207-F222 HydrophobicContact CD2-CE2 4.4Å; Y207-F222 HydrophobicContact CG-CZ 4.33Å; Y207-F222 PolarHBondContact N-O 3.42Å; Y207-F222 PolarHBondContact O-N 3.48Å; A209-F222 HydrophobicContact CB-CE1 4.41Å; F222-Q224 HydrophobicContact CE2-CG 4.07Å; F222-M238 HydrophobicContact CB-CB 4.37Å; F222-M238 HydrophobicContact CD2-CB 3.82Å; F222-M238 HydrophobicContact CD2-CG 3.72Å; F222-M238 HydrophobicContact CD2-SD 3.79Å; F222-M238 HydrophobicContact CE2-CG 3.93Å; F222-M238 HydrophobicContact CE2-SD 3.63Å; F222-M238 HydrophobicContact CG-CB 4.35Å; F222-M238 HydrophobicContact CG-SD 4.42Å; F222-M238 HydrophobicContact CZ-SD 4.13Å; F222-F239 CarbonylContact C-O 3.52Å; F222-F239 WeakPolarHBondContact CA-O 3.34Å; F222-F239 VanDerWaalsContact CB-O 3.29Å; F222-F239 WeakPolarHBondContact CB-O 3.12Å; F222-I240 HydrophobicContact CB-CD1 3.88Å
223	Y	93.6	Very high	86.8	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.3	158	-72.7	-79	0	0	0	109.1	R170 E172 L204 Q206 M238 F239 I241 R270 P294	R170-Y223 PolarHBondContact NH2-OH 2.96Å; E172-Y223 PolarHBondContact OE1-OH 3.34Å; E172-Y223 PolarHBondContact OE2-OH 3.22Å; L204-Y223 HydrophobicContact CD2-CD1 3.63Å; L204-Y223 HydrophobicContact CD2-CE1 3.57Å; L204-Y223 HydrophobicContact CG-CD1 4.06Å; L204-Y223 HydrophobicContact CG-CE1 4.23Å; Q206-Y223 HydrophobicContact CB-CE1 4.34Å; Q206-Y223 HydrophobicContact CG-CD1 3.74Å; Q206-Y223 HydrophobicContact CG-CD2 4.21Å; Q206-Y223 HydrophobicContact CG-CE1 3.18Å; Q206-Y223 HydrophobicContact CG-CE2 3.72Å; Q206-Y223 HydrophobicContact CG-CG 4.23Å; Q206-Y223 PolarHBondContact NE2-OH 2.93Å; Y223-M238 CarbonylContact O-C 3.34Å; Y223-M238 VanDerWaalsContact O-CA 3.3Å; Y223-M238 WeakPolarHBondContact O-CA 3.29Å; Y223-F239 PolarHBondContact N-O 3.13Å; Y223-F239 PolarHBondContact O-N 3.32Å; Y223-I241 HydrophobicContact CD2-CD1 3.81Å; Y223-I241 HydrophobicContact CD2-CG2 3.87Å; Y223-I241 HydrophobicContact CE2-CD1 3.7Å; Y223-I241 HydrophobicContact CE2-CG2 4.17Å; Y223-R270 PolarHBondContact OH-NH1 2.92Å; Y223-P294 HydrophobicContact CD1-CB 4.4Å; Y223-P294 HydrophobicContact CD2-CB 3.82Å; Y223-P294 HydrophobicContact CD2-CG 3.6Å; Y223-P294 HydrophobicContact CE2-CB 4.33Å; Y223-P294 HydrophobicContact CE2-CG 3.75Å; Y223-P294 HydrophobicContact CG-CB 3.84Å; Y223-P294 HydrophobicContact CG-CG 4.14Å
224	Q	90.8	Very high	86.4	Confident	25 Å²	25	44.3 Å²	44.3	12%	0.117	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.6	160.3	-77.8	-167.7	-49.4	0	0	109.6	L190 F222 I236	L190-Q224 VanDerWaalsContact CD2-CD 3.45Å; L190-Q224 HydrophobicContact CD2-CG 3.78Å; L190-Q224 VanDerWaalsContact CD2-NE2 3.27Å; F222-Q224 HydrophobicContact CE2-CG 4.07Å; Q224-I236 HydrophobicContact CB-CG2 4.23Å; Q224-I236 HydrophobicContact CG-CG2 4.42Å
225	C	88.8	Confident	86.3	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.034	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-71.3	132.5	167	-61.7	0	0	0	0	108.8	D227 I236 D237 F239	C225-D227 PolarHBondContact O-N 2.7Å; C225-I236 WeakPolarHBondContact O-CG2 3.45Å; C225-D237 HydrophobicContact CB-CB 4.31Å; C225-D237 WeakPolarHBondContact CB-O 3.35Å; C225-D237 PolarHBondContact N-O 3.01Å; C225-D237 PolarHBondContact SG-O 3.47Å; C225-D237 VanDerWaalsContact SG-O 3.35Å; C225-F239 HydrophobicContact CB-CE2 4.19Å; C225-F239 VanDerWaalsContact SG-CD2 3.52Å; C225-F239 WeakPolarHBondContact SG-CE2 3.23Å; C225-F239 VanDerWaalsContact SG-CZ 3.55Å
226	P	83.1	Confident	86.4	Confident	50 Å²	50	41.4 Å²	41.4	33%	0.325	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-51.8	129.9	153.3	-17.5	25.8	0	0	0	109.2	P294 E295 S297 S298	P226-P294 WeakPolarHBondContact CD-O 3.27Å; P226-E295 WeakPolarHBondContact CG-O 3.31Å; P226-S297 WeakPolarHBondContact CD-O 3.27Å; P226-S298 WeakPolarHBondContact O-CB 3.14Å
227	D	81.2	Confident	86.4	Confident	19 Å²	19	41.4 Å²	41.4	10%	0.102	21%	0.207	C	C	.	.			trans	-155	95.6	-177.5	-172.4	-22.1	0	0	0	106.5	C225 M229 A230 I236 R412	C225-D227 PolarHBondContact O-N 2.7Å; D227-M229 VanDerWaalsContact C-N 3.35Å; D227-M229 PolarHBondContact OD1-N 3.48Å; D227-A230 HydrophobicContact CB-CB 4.08Å; D227-A230 VanDerWaalsContact CG-CB 3.43Å; D227-A230 WeakPolarHBondContact OD1-CB 3.45Å; D227-A230 PolarHBondContact OD1-N 2.76Å; D227-I236 HydrophobicContact CB-CG1 4.35Å; D227-I236 HydrophobicContact CB-CG2 4.48Å; D227-R412 IonicContact OD1-NH2 3.19Å; D227-R412 IonicContact OD2-CZ 2.72Å; D227-R412 IonicContact OD2-NH2 3.99Å; D227-R412 PolarHBondContact OD2-NH2 3.07Å
228	Q	70.9	Confident	86.4	Confident	197 Å²	197	37.2 Å²	37.2	92%	0.921	19%	0.185	S	C	*	.	S	Bend	trans	-74.9	-30.5	-176.3	-71.1	175.9	-56.5	0	0	111.2	A230	Q228-A230 VanDerWaalsContact C-N 3.32Å; Q228-A230 PolarHBondContact O-N 2.93Å
229	M	71.6	Confident	86.3	Confident	23 Å²	23	33.3 Å²	33.3	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	-71.2	-24.9	179.4	-44.8	-169.9	75.4	0	0	113.1	D227 R231 P301 E424 E427	D227-M229 VanDerWaalsContact C-N 3.35Å; D227-M229 PolarHBondContact OD1-N 3.48Å; M229-R231 PolarHBondContact O-N 3.39Å; M229-P301 HydrophobicContact SD-CG 4.28Å; M229-E424 HydrophobicContact CE-CG 3.92Å; M229-E427 VanDerWaalsContact CA-OE1 3.28Å; M229-E427 WeakPolarHBondContact CA-OE1 3.48Å; M229-E427 HydrophobicContact CE-CG 4.36Å; M229-E427 WeakPolarHBondContact CE-OE2 3.43Å; M229-E427 WeakPolarHBondContact CG-OE1 3.44Å; M229-E427 VanDerWaalsContact CG-OE2 3.31Å; M229-E427 WeakPolarHBondContact CG-OE2 3.28Å
230	A	74.6	Confident	86.3	Confident	19 Å²	19	32.1 Å²	32.1	16%	0.157	16%	0.161	C	C	.	.			trans	-69.6	88.6	-176.9	0	0	0	0	0	113.1	D227 Q228 N232 A235 I236	D227-A230 HydrophobicContact CB-CB 4.08Å; D227-A230 VanDerWaalsContact CG-CB 3.43Å; D227-A230 WeakPolarHBondContact OD1-CB 3.45Å; D227-A230 PolarHBondContact OD1-N 2.76Å; Q228-A230 VanDerWaalsContact C-N 3.32Å; Q228-A230 PolarHBondContact O-N 2.93Å; A230-N232 PolarHBondContact O-N 2.76Å; A230-A235 HydrophobicContact CB-CB 4.43Å; A230-I236 HydrophobicContact CB-CG1 3.8Å
231	R	76.8	Confident	86.2	Confident	165 Å²	165	33.3 Å²	33.3	62%	0.623	17%	0.167	S	C	*	.	S	Bend	trans	-57.9	-33.1	168.9	-65.3	179.3	176.5	175.2	-3.2	112.3	M229 E426	M229-R231 PolarHBondContact O-N 3.39Å; R231-E426 IonicContact CZ-OE2 3.98Å; R231-E426 IonicContact NH1-OE2 2.63Å; R231-E426 PolarHBondContact NH1-OE2 2.89Å; R231-E426 IonicContact NH2-OE2 2.68Å; R231-E426 PolarHBondContact NH2-OE2 3.27Å
232	N	82.6	Confident	86.1	Confident	42 Å²	42	33.6 Å²	33.6	23%	0.225	17%	0.17	C	C	.	.	S	Bend	trans	-98.1	115.6	174.7	179.9	-1.1	0	0	0	110.6	Q188 A230 A234 A235 M415	Q188-N232 PolarHBondContact NE2-OD1 3.16Å; A230-N232 PolarHBondContact O-N 2.76Å; N232-A234 PolarHBondContact O-N 2.92Å; N232-A234 WeakPolarHBondContact OD1-CB 3.17Å; N232-A234 PolarHBondContact OD1-N 2.82Å; N232-A235 HydrophobicContact CB-CB 4.29Å; N232-A235 VanDerWaalsContact O-CB 3.28Å; N232-A235 WeakPolarHBondContact O-CB 3.25Å; N232-A235 PolarHBondContact O-N 2.87Å; N232-M415 HydrophobicContact CB-CE 3.97Å
233	P	83.2	Confident	86	Confident	49 Å²	49	36.5 Å²	36.5	32%	0.318	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-58.4	-23.4	177.9	-27.6	36.3	0	0	0	114.9	Q188 G189 A235 I236	Q188-P233 WeakPolarHBondContact O-CB 3.37Å; G189-P233 WeakPolarHBondContact CA-O 3.47Å; P233-A235 VanDerWaalsContact C-N 3.26Å; P233-A235 PolarHBondContact O-N 3.18Å; P233-I236 HydrophobicContact CB-CD1 4.48Å; P233-I236 WeakPolarHBondContact O-CG1 3.41Å; P233-I236 PolarHBondContact O-N 3.44Å
234	A	84.5	Confident	86.2	Confident	12 Å²	12	38.4 Å²	38.4	10%	0.099	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-74.8	-13.1	173.9	0	0	0	0	0	114	Q188 N232 I236 S409 A411	Q188-A234 HydrophobicContact CG-CB 3.58Å; N232-A234 PolarHBondContact O-N 2.92Å; N232-A234 WeakPolarHBondContact OD1-CB 3.17Å; N232-A234 PolarHBondContact OD1-N 2.82Å; A234-I236 VanDerWaalsContact C-N 3.31Å; A234-S409 WeakPolarHBondContact O-CB 3.17Å; A234-S409 PolarHBondContact O-OG 3.38Å; A234-A411 HydrophobicContact CB-CB 3.88Å; A234-A411 WeakPolarHBondContact O-CB 3.39Å
235	A	84.7	Confident	86.5	Confident	2 Å²	2	37.2 Å²	37.2	2%	0.017	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-82.7	-9.8	175.6	0	0	0	0	0	112.9	A230 N232 P233 D237 S409 A411 R412 M415	A230-A235 HydrophobicContact CB-CB 4.43Å; N232-A235 HydrophobicContact CB-CB 4.29Å; N232-A235 VanDerWaalsContact O-CB 3.28Å; N232-A235 WeakPolarHBondContact O-CB 3.25Å; N232-A235 PolarHBondContact O-N 2.87Å; P233-A235 VanDerWaalsContact C-N 3.26Å; P233-A235 PolarHBondContact O-N 3.18Å; A235-D237 PolarHBondContact O-N 3.2Å; A235-S409 WeakPolarHBondContact CA-OG 3.15Å; A235-S409 PolarHBondContact O-OG 2.88Å; A235-A411 HydrophobicContact CB-CB 4.49Å; A235-R412 HydrophobicContact CB-CB 4.38Å; A235-R412 PolarHBondContact O-NE 3.14Å; A235-R412 PolarHBondContact O-NH2 2.88Å; A235-M415 HydrophobicContact CB-CE 4.01Å
236	I	85.9	Confident	87	Confident	25 Å²	25	38 Å²	38	13%	0.128	21%	0.205	C	C	.	.			trans	-68.5	124	-178.6	-61.8	175.4	0	0	0	110.5	Q224 C225 D227 A230 P233 A234 M238	Q224-I236 HydrophobicContact CB-CG2 4.23Å; Q224-I236 HydrophobicContact CG-CG2 4.42Å; C225-I236 WeakPolarHBondContact O-CG2 3.45Å; D227-I236 HydrophobicContact CB-CG1 4.35Å; D227-I236 HydrophobicContact CB-CG2 4.48Å; A230-I236 HydrophobicContact CB-CG1 3.8Å; P233-I236 HydrophobicContact CB-CD1 4.48Å; P233-I236 WeakPolarHBondContact O-CG1 3.41Å; P233-I236 PolarHBondContact O-N 3.44Å; A234-I236 VanDerWaalsContact C-N 3.31Å; I236-M238 WeakPolarHBondContact O-CE 3.37Å
237	D	90.4	Very high	87.6	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.011	21%	0.207	C	C	.	.			trans	-75	168.2	177.6	-66.4	-23.1	0	0	0	112.3	C225 A235 V299 V408 S409 R412	C225-D237 HydrophobicContact CB-CB 4.31Å; C225-D237 WeakPolarHBondContact CB-O 3.35Å; C225-D237 PolarHBondContact N-O 3.01Å; C225-D237 PolarHBondContact SG-O 3.47Å; C225-D237 VanDerWaalsContact SG-O 3.35Å; A235-D237 PolarHBondContact O-N 3.2Å; D237-V299 HydrophobicContact CB-CB 3.98Å; D237-V299 HydrophobicContact CB-CG2 4.12Å; D237-V299 WeakPolarHBondContact OD2-CB 3.49Å; D237-V299 VanDerWaalsContact OD2-CG1 3.26Å; D237-V299 WeakPolarHBondContact OD2-CG1 3.23Å; D237-V408 VanDerWaalsContact OD1-CA 3.24Å; D237-V408 WeakPolarHBondContact OD1-CA 3.3Å; D237-S409 PolarHBondContact OD1-N 3.33Å; D237-R412 IonicContact OD1-NE 2.76Å; D237-R412 IonicContact OD2-NE 3.81Å
238	M	91.5	Very high	88.4	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.02	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.9	-171.8	-59.6	167.4	-147.6	0	0	112.4	R216 F222 Y223 I236 I240 F406 R407	R216-M238 VanDerWaalsContact CD-SD 3.56Å; R216-M238 HydrophobicContact CG-CE 4.37Å; R216-M238 HydrophobicContact CG-SD 3.7Å; F222-M238 HydrophobicContact CB-CB 4.37Å; F222-M238 HydrophobicContact CD2-CB 3.82Å; F222-M238 HydrophobicContact CD2-CG 3.72Å; F222-M238 HydrophobicContact CD2-SD 3.79Å; F222-M238 HydrophobicContact CE2-CG 3.93Å; F222-M238 HydrophobicContact CE2-SD 3.63Å; F222-M238 HydrophobicContact CG-CB 4.35Å; F222-M238 HydrophobicContact CG-SD 4.42Å; F222-M238 HydrophobicContact CZ-SD 4.13Å; Y223-M238 CarbonylContact O-C 3.34Å; Y223-M238 VanDerWaalsContact O-CA 3.3Å; Y223-M238 WeakPolarHBondContact O-CA 3.29Å; I236-M238 WeakPolarHBondContact O-CE 3.37Å; M238-I240 HydrophobicContact CB-CD1 4.35Å; M238-F406 CarbonylContact O-C 3.54Å; M238-F406 WeakPolarHBondContact O-CA 3.39Å; M238-F406 VanDerWaalsContact O-CB 3.31Å; M238-F406 WeakPolarHBondContact O-CB 3.48Å; M238-R407 PolarHBondContact N-O 2.61Å; M238-R407 VanDerWaalsContact N-O 3.09Å; M238-R407 PolarHBondContact O-N 2.9Å
239	F	94.7	Very high	89.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116	168.9	-62.5	-65.7	0	0	0	110.2	F222 Y223 C225 F292 P294 S297 V299 Y304 F406	F222-F239 CarbonylContact C-O 3.52Å; F222-F239 WeakPolarHBondContact CA-O 3.34Å; F222-F239 VanDerWaalsContact CB-O 3.29Å; F222-F239 WeakPolarHBondContact CB-O 3.12Å; Y223-F239 PolarHBondContact N-O 3.13Å; Y223-F239 PolarHBondContact O-N 3.32Å; C225-F239 HydrophobicContact CB-CE2 4.19Å; C225-F239 VanDerWaalsContact SG-CD2 3.52Å; C225-F239 WeakPolarHBondContact SG-CE2 3.23Å; C225-F239 VanDerWaalsContact SG-CZ 3.55Å; F239-F292 AromaticContact CD1-CE1 3.95Å; F239-F292 HydrophobicContact CD1-CE1 3.95Å; F239-F292 AromaticContact CD1-CZ 3.99Å; F239-F292 HydrophobicContact CD1-CZ 3.99Å; F239-F292 HydrophobicContact CD2-CE1 4.04Å; F239-F292 HydrophobicContact CD2-CZ 4.26Å; F239-F292 HydrophobicContact CE1-CE1 4.06Å; F239-F292 AromaticContact CE1-CZ 3.61Å; F239-F292 HydrophobicContact CE1-CZ 3.61Å; F239-F292 HydrophobicContact CE2-CE1 4.1Å; F239-F292 AromaticContact CE2-CZ 3.86Å; F239-F292 HydrophobicContact CE2-CZ 3.86Å; F239-F292 AromaticContact CG-CE1 3.97Å; F239-F292 HydrophobicContact CG-CE1 3.97Å; F239-F292 HydrophobicContact CG-CZ 4.33Å; F239-F292 HydrophobicContact CZ-CE1 4.14Å; F239-F292 AromaticContact CZ-CZ 3.55Å; F239-F292 HydrophobicContact CZ-CZ 3.55Å; F239-P294 HydrophobicContact CD2-CB 3.92Å; F239-P294 HydrophobicContact CE2-CB 4.41Å; F239-S297 VanDerWaalsContact CE2-O 3.31Å; F239-S297 WeakPolarHBondContact CE2-O 3.48Å; F239-V299 HydrophobicContact CE1-CG2 3.9Å; F239-V299 HydrophobicContact CZ-CG2 4.09Å; F239-Y304 HydrophobicContact CE1-CE1 4.18Å; F239-F406 HydrophobicContact CD1-CB 3.83Å; F239-F406 HydrophobicContact CE1-CB 4.18Å
240	I	94.5	Very high	90.9	Very high	18 Å²	18	29.9 Å²	29.9	9%	0.092	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.2	179	-49.6	-50.6	0	0	0	109.1	E220 F222 M238 T405 R407	E220-I240 HydrophobicContact CG-CD1 4Å; E220-I240 HydrophobicContact CG-CG2 3.7Å; F222-I240 HydrophobicContact CB-CD1 3.88Å; M238-I240 HydrophobicContact CB-CD1 4.35Å; I240-T405 PolarHBondContact N-O 2.99Å; I240-R407 HydrophobicContact CD1-CB 4.16Å; I240-R407 HydrophobicContact CG1-CB 4.32Å
241	I	94	Very high	92	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.205	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-3.5	-175	60.3	175.3	0	0	0	113.5	Q206 V221 Y223	Q206-I241 HydrophobicContact CB-CD1 4.2Å; Q206-I241 VanDerWaalsContact CD-CD1 3.44Å; Q206-I241 HydrophobicContact CG-CD1 3.65Å; V221-I241 HydrophobicContact CB-CG1 4.23Å; V221-I241 HydrophobicContact CG1-CD1 3.97Å; V221-I241 HydrophobicContact CG1-CG1 3.86Å; V221-I241 VanDerWaalsContact O-CG1 3.31Å; V221-I241 WeakPolarHBondContact O-CG1 2.86Å; V221-I241 PolarHBondContact O-N 2.94Å; Y223-I241 HydrophobicContact CD2-CD1 3.81Å; Y223-I241 HydrophobicContact CD2-CG2 3.87Å; Y223-I241 HydrophobicContact CE2-CD1 3.7Å; Y223-I241 HydrophobicContact CE2-CG2 4.17Å
242	G	94.6	Very high	92.9	Very high	5 Å²	5	24 Å²	24	5%	0.052	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	147.5	169.3	0	0	0	0	0	112.3	V221 D247	V221-G242 PolarHBondContact N-O 3.5Å; V221-G242 PolarHBondContact O-N 2.56Å; G242-D247 WeakPolarHBondContact CA-OD2 3.47Å
243	A	94.9	Very high	93.7	Very high	61 Å²	61	22.2 Å²	22.2	50%	0.504	14%	0.139	S	C	.	.	S	Bend	trans	-78.3	-29.2	-179.6	0	0	0	0	0	113	N219 D247	N219-A243 CarbonylContact C-O 3.55Å; A243-D247 PolarHBondContact N-OD2 2.76Å
244	T	97	Very high	94.3	Very high	44 Å²	44	27.3 Å²	27.3	27%	0.27	16%	0.156	S	C	.	.	S	Bend	trans	-144.9	169.6	176.1	68.9	0	0	0	0	109.7	D141 N219 T246 D247 W248	D141-T244 VanDerWaalsContact OD2-CB 3.32Å; D141-T244 WeakPolarHBondContact OD2-CB 3.39Å; D141-T244 PolarHBondContact OD2-OG1 2.79Å; N219-T244 HydrophobicContact CB-CG2 4.28Å; N219-T244 WeakPolarHBondContact O-CA 3.24Å; T244-T246 VanDerWaalsContact C-N 3.27Å; T244-T246 PolarHBondContact O-N 2.84Å; T244-T246 PolarHBondContact OG1-N 3.11Å; T244-D247 PolarHBondContact O-N 3.17Å; T244-D247 PolarHBondContact OG1-N 2.87Å; T244-W248 WeakPolarHBondContact O-CB 3.35Å; T244-W248 PolarHBondContact O-N 3.36Å
245	F	97.9	Very high	94.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-41.8	173.3	-178.8	-81	0	0	0	111	D141 Y142 S145 Y146 L196 I208 D247 W248 F249	D141-F245 PolarHBondContact OD2-N 2.82Å; D141-F245 VanDerWaalsContact OD2-N 3.13Å; Y142-F245 AromaticContact CD2-CD2 3.69Å; Y142-F245 HydrophobicContact CD2-CD2 3.69Å; Y142-F245 HydrophobicContact CD2-CE2 4.04Å; Y142-F245 HydrophobicContact CD2-CG 4.42Å; Y142-F245 HydrophobicContact CG-CD2 4.49Å; S145-F245 WeakPolarHBondContact OG-CE1 3.22Å; S145-F245 VanDerWaalsContact OG-CZ 3.3Å; S145-F245 WeakPolarHBondContact OG-CZ 3.46Å; Y146-F245 HydrophobicContact CE2-CE2 4.08Å; Y146-F245 HydrophobicContact CE2-CZ 4.37Å; L196-F245 HydrophobicContact CD1-CD2 3.94Å; L196-F245 HydrophobicContact CD1-CE2 3.8Å; L196-F245 HydrophobicContact CD2-CD2 4.18Å; L196-F245 HydrophobicContact CD2-CE2 4.36Å; I208-F245 HydrophobicContact CD1-CB 4.14Å; F245-D247 PolarHBondContact O-N 3.24Å; F245-W248 AromaticContact CD2-CE3 3.99Å; F245-W248 HydrophobicContact CD2-CE3 3.99Å; F245-W248 HydrophobicContact CD2-CZ3 4.02Å; F245-W248 AromaticContact CE2-CE3 3.93Å; F245-W248 HydrophobicContact CE2-CE3 3.93Å; F245-W248 AromaticContact CE2-CZ3 3.5Å; F245-W248 HydrophobicContact CE2-CZ3 3.5Å; F245-W248 HydrophobicContact CG-CE3 4.49Å; F245-W248 HydrophobicContact CZ-CE3 4.31Å; F245-W248 AromaticContact CZ-CZ3 3.86Å; F245-W248 HydrophobicContact CZ-CZ3 3.86Å; F245-W248 PolarHBondContact O-N 2.72Å; F245-F249 HydrophobicContact CD1-CB 4.22Å; F245-F249 HydrophobicContact CE1-CB 3.74Å; F245-F249 HydrophobicContact CE1-CD1 4.31Å; F245-F249 HydrophobicContact CE1-CG 4.01Å; F245-F249 HydrophobicContact CZ-CB 4.16Å; F245-F249 HydrophobicContact CZ-CD2 4.46Å; F245-F249 HydrophobicContact CZ-CG 4.24Å; F245-F249 VanDerWaalsContact O-CB 3.28Å; F245-F249 WeakPolarHBondContact O-CB 3.36Å; F245-F249 PolarHBondContact O-N 2.9Å
246	T	97.8	Very high	95.3	Very high	21 Å²	21	29.2 Å²	29.2	13%	0.129	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-49.7	178.2	-53.3	0	0	0	0	111.4	A95 I96 D141 T244 T250	A95-T246 HydrophobicContact CB-CG2 4.37Å; I96-T246 HydrophobicContact CG1-CG2 4.18Å; D141-T246 WeakPolarHBondContact CB-OG1 3.23Å; D141-T246 PolarHBondContact OD2-N 3.01Å; D141-T246 PolarHBondContact OD2-OG1 3.3Å; T244-T246 VanDerWaalsContact C-N 3.27Å; T244-T246 PolarHBondContact O-N 2.84Å; T244-T246 PolarHBondContact OG1-N 3.11Å; T246-T250 HydrophobicContact CG2-CG2 3.98Å; T246-T250 VanDerWaalsContact O-CB 3.25Å; T246-T250 WeakPolarHBondContact O-CB 3.33Å; T246-T250 WeakPolarHBondContact O-CG2 3.22Å; T246-T250 PolarHBondContact O-N 3.27Å; T246-T250 PolarHBondContact O-OG1 3.41Å
247	D	96.9	Very high	95.8	Very high	69 Å²	69	30.4 Å²	30.4	37%	0.369	17%	0.172	S	C	.	.	H	α-helix	trans	-60.8	-49.7	-178.9	175.1	59.1	0	0	0	111.2	G242 A243 T244 F245 S251	G242-D247 WeakPolarHBondContact CA-OD2 3.47Å; A243-D247 PolarHBondContact N-OD2 2.76Å; T244-D247 PolarHBondContact O-N 3.17Å; T244-D247 PolarHBondContact OG1-N 2.87Å; F245-D247 PolarHBondContact O-N 3.24Å; D247-S251 WeakPolarHBondContact O-CB 3.3Å; D247-S251 PolarHBondContact O-N 3.36Å; D247-S251 PolarHBondContact O-OG 2.85Å
248	W	97.5	Very high	95.9	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.038	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-54.2	177.1	170.5	78.8	0	0	0	112.5	L160 L174 L196 T197 Q206 V221 T244 F245 Y252	L160-W248 HydrophobicContact CD1-CH2 3.82Å; L160-W248 HydrophobicContact CD1-CZ2 3.63Å; L160-W248 HydrophobicContact CG-CH2 4.35Å; L160-W248 HydrophobicContact CG-CZ2 4.24Å; L174-W248 HydrophobicContact CD1-CH2 3.88Å; L174-W248 HydrophobicContact CD1-CZ3 4.34Å; L196-W248 HydrophobicContact CD2-CD2 3.98Å; L196-W248 HydrophobicContact CD2-CE3 3.74Å; L196-W248 HydrophobicContact CD2-CH2 3.59Å; L196-W248 HydrophobicContact CD2-CZ2 3.82Å; L196-W248 HydrophobicContact CD2-CZ3 3.56Å; L196-W248 HydrophobicContact CG-CH2 3.91Å; L196-W248 HydrophobicContact CG-CZ2 4.39Å; L196-W248 HydrophobicContact CG-CZ3 4.13Å; T197-W248 HydrophobicContact CG2-CH2 4.14Å; T197-W248 HydrophobicContact CG2-CZ2 3.91Å; Q206-W248 VanDerWaalsContact OE1-CZ2 3.25Å; V221-W248 HydrophobicContact CB-CB 4.33Å; V221-W248 HydrophobicContact CB-CG 4.28Å; V221-W248 HydrophobicContact CG1-CD2 4.31Å; V221-W248 HydrophobicContact CG1-CG 4Å; V221-W248 HydrophobicContact CG2-CB 4.07Å; V221-W248 HydrophobicContact CG2-CG 4.29Å; T244-W248 WeakPolarHBondContact O-CB 3.35Å; T244-W248 PolarHBondContact O-N 3.36Å; F245-W248 AromaticContact CD2-CE3 3.99Å; F245-W248 HydrophobicContact CD2-CE3 3.99Å; F245-W248 HydrophobicContact CD2-CZ3 4.02Å; F245-W248 AromaticContact CE2-CE3 3.93Å; F245-W248 HydrophobicContact CE2-CE3 3.93Å; F245-W248 AromaticContact CE2-CZ3 3.5Å; F245-W248 HydrophobicContact CE2-CZ3 3.5Å; F245-W248 HydrophobicContact CG-CE3 4.49Å; F245-W248 HydrophobicContact CZ-CE3 4.31Å; F245-W248 AromaticContact CZ-CZ3 3.86Å; F245-W248 HydrophobicContact CZ-CZ3 3.86Å; F245-W248 PolarHBondContact O-N 2.72Å; W248-Y252 WeakPolarHBondContact O-CB 3.4Å; W248-Y252 PolarHBondContact O-N 2.82Å
249	F	98.2	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.5	-43.2	-173.6	-173.5	-113	0	0	0	112.2	A99 W100 L103 F245 S251 Y252 V253	A99-F249 HydrophobicContact CB-CD1 4.17Å; A99-F249 HydrophobicContact CB-CE1 4.04Å; W100-F249 AromaticContact CD1-CE1 3.86Å; W100-F249 AromaticContact CD2-CE1 3.73Å; W100-F249 HydrophobicContact CD2-CE1 3.73Å; W100-F249 AromaticContact CD2-CZ 3.53Å; W100-F249 HydrophobicContact CD2-CZ 3.53Å; W100-F249 AromaticContact CE2-CE1 3.53Å; W100-F249 AromaticContact CE2-CZ 3.35Å; W100-F249 HydrophobicContact CE3-CE1 4.36Å; W100-F249 AromaticContact CE3-CZ 3.74Å; W100-F249 HydrophobicContact CE3-CZ 3.74Å; W100-F249 AromaticContact CG-CE1 3.95Å; W100-F249 HydrophobicContact CG-CE1 3.95Å; W100-F249 HydrophobicContact CG-CZ 4.23Å; W100-F249 AromaticContact CH2-CE2 3.96Å; W100-F249 HydrophobicContact CH2-CE2 3.96Å; W100-F249 AromaticContact CH2-CZ 3.63Å; W100-F249 HydrophobicContact CH2-CZ 3.63Å; W100-F249 HydrophobicContact CZ2-CE1 4.01Å; W100-F249 AromaticContact CZ2-CE2 3.89Å; W100-F249 HydrophobicContact CZ2-CE2 3.89Å; W100-F249 AromaticContact CZ2-CZ 3.42Å; W100-F249 HydrophobicContact CZ2-CZ 3.42Å; W100-F249 VanDerWaalsContact CZ2-CZ 3.42Å; W100-F249 HydrophobicContact CZ3-CE2 4.4Å; W100-F249 AromaticContact CZ3-CZ 3.79Å; W100-F249 HydrophobicContact CZ3-CZ 3.79Å; W100-F249 AromaticContact NE1-CE1 3.6Å; W100-F249 AromaticContact NE1-CZ 3.94Å; L103-F249 HydrophobicContact CD2-CE2 4.39Å; L103-F249 HydrophobicContact CD2-CZ 4.04Å; F245-F249 HydrophobicContact CD1-CB 4.22Å; F245-F249 HydrophobicContact CE1-CB 3.74Å; F245-F249 HydrophobicContact CE1-CD1 4.31Å; F245-F249 HydrophobicContact CE1-CG 4.01Å; F245-F249 HydrophobicContact CZ-CB 4.16Å; F245-F249 HydrophobicContact CZ-CD2 4.46Å; F245-F249 HydrophobicContact CZ-CG 4.24Å; F245-F249 VanDerWaalsContact O-CB 3.28Å; F245-F249 WeakPolarHBondContact O-CB 3.36Å; F245-F249 PolarHBondContact O-N 2.9Å; F249-S251 PolarHBondContact O-N 3.01Å; F249-Y252 WeakPolarHBondContact O-CB 3.26Å; F249-Y252 PolarHBondContact O-N 2.94Å; F249-V253 HydrophobicContact CD1-CG2 4.3Å; F249-V253 HydrophobicContact CE1-CG2 3.89Å; F249-V253 HydrophobicContact CE2-CG2 4.13Å; F249-V253 HydrophobicContact CZ-CG2 3.79Å; F249-V253 WeakPolarHBondContact O-CG2 3.22Å; F249-V253 PolarHBondContact O-N 3.01Å
250	T	97.8	Very high	95.3	Very high	40 Å²	40	36.8 Å²	36.8	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-35.8	-179.3	60.9	0	0	0	0	111.7	A99 T246 V253 K254	A99-T250 HydrophobicContact CB-CG2 4.01Å; T246-T250 HydrophobicContact CG2-CG2 3.98Å; T246-T250 VanDerWaalsContact O-CB 3.25Å; T246-T250 WeakPolarHBondContact O-CB 3.33Å; T246-T250 WeakPolarHBondContact O-CG2 3.22Å; T246-T250 PolarHBondContact O-N 3.27Å; T246-T250 PolarHBondContact O-OG1 3.41Å; T250-V253 PolarHBondContact O-N 2.82Å; T250-K254 VanDerWaalsContact O-CB 3.3Å; T250-K254 WeakPolarHBondContact O-CB 3.26Å; T250-K254 PolarHBondContact O-N 3.2Å
251	S	96.2	Very high	95.2	Very high	51 Å²	51	36.4 Å²	36.4	36%	0.357	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-42.8	172.2	-66.9	0	0	0	0	111.7	D247 F249 K254 N255	D247-S251 WeakPolarHBondContact O-CB 3.3Å; D247-S251 PolarHBondContact O-N 3.36Å; D247-S251 PolarHBondContact O-OG 2.85Å; F249-S251 PolarHBondContact O-N 3.01Å; S251-K254 PolarHBondContact O-N 3.43Å; S251-N255 PolarHBondContact O-N 3.43Å; S251-N255 VanDerWaalsContact O-N 3.13Å; S251-N255 PolarHBondContact O-ND2 3.05Å
252	Y	97.1	Very high	95.1	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-56.6	-54.8	172.8	175	-103.8	0	0	0	111.7	L159 L160 W248 F249 K254 N255 V256 F261 I268	L159-Y252 PolarHBondContact O-OH 3.29Å; L160-Y252 WeakPolarHBondContact CA-OH 3.43Å; L160-Y252 HydrophobicContact CD1-CD1 4.01Å; L160-Y252 HydrophobicContact CD1-CD2 4.18Å; L160-Y252 HydrophobicContact CD1-CE1 4Å; L160-Y252 HydrophobicContact CD1-CE2 4.23Å; L160-Y252 HydrophobicContact CD1-CG 4.11Å; W248-Y252 WeakPolarHBondContact O-CB 3.4Å; W248-Y252 PolarHBondContact O-N 2.82Å; F249-Y252 WeakPolarHBondContact O-CB 3.26Å; F249-Y252 PolarHBondContact O-N 2.94Å; Y252-K254 VanDerWaalsContact C-N 3.31Å; Y252-K254 PolarHBondContact O-N 3.49Å; Y252-N255 PolarHBondContact O-N 3.26Å; Y252-N255 VanDerWaalsContact O-N 3.12Å; Y252-V256 HydrophobicContact CD1-CG2 4.39Å; Y252-V256 HydrophobicContact CE1-CG2 3.86Å; Y252-V256 HydrophobicContact CE2-CG2 4Å; Y252-V256 PolarHBondContact O-N 2.94Å; Y252-V256 VanDerWaalsContact O-N 3.07Å; Y252-F261 HydrophobicContact CD2-CD2 4.14Å; Y252-F261 AromaticContact CD2-CE2 3.65Å; Y252-F261 HydrophobicContact CD2-CE2 3.65Å; Y252-F261 AromaticContact CE2-CD2 3.86Å; Y252-F261 HydrophobicContact CE2-CD2 3.86Å; Y252-F261 AromaticContact CE2-CE2 3.79Å; Y252-F261 HydrophobicContact CE2-CE2 3.79Å; Y252-I268 VanDerWaalsContact OH-CD1 3.23Å; Y252-I268 WeakPolarHBondContact OH-CD1 3.42Å
253	V	97.7	Very high	95	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-59.2	-42.5	-179.7	170.6	0	0	0	0	111.6	A99 D102 L103 F249 T250 N255 V256 V257	A99-V253 HydrophobicContact CB-CB 4.21Å; A99-V253 HydrophobicContact CB-CG1 4.2Å; A99-V253 HydrophobicContact CB-CG2 4.13Å; A99-V253 WeakPolarHBondContact O-CG1 3.46Å; D102-V253 HydrophobicContact CB-CG1 4.41Å; L103-V253 HydrophobicContact CB-CG1 4.01Å; L103-V253 HydrophobicContact CB-CG2 3.99Å; L103-V253 HydrophobicContact CD1-CG2 4.27Å; L103-V253 HydrophobicContact CD2-CG2 3.96Å; L103-V253 HydrophobicContact CG-CG2 4.28Å; F249-V253 HydrophobicContact CD1-CG2 4.3Å; F249-V253 HydrophobicContact CE1-CG2 3.89Å; F249-V253 HydrophobicContact CE2-CG2 4.13Å; F249-V253 HydrophobicContact CZ-CG2 3.79Å; F249-V253 WeakPolarHBondContact O-CG2 3.22Å; F249-V253 PolarHBondContact O-N 3.01Å; T250-V253 PolarHBondContact O-N 2.82Å; V253-N255 VanDerWaalsContact C-N 3.29Å; V253-N255 PolarHBondContact O-N 3.48Å; V253-V256 PolarHBondContact O-N 3.44Å; V253-V257 HydrophobicContact CG1-CG2 3.88Å; V253-V257 WeakPolarHBondContact O-CB 3.45Å; V253-V257 WeakPolarHBondContact O-CG2 3.32Å; V253-V257 PolarHBondContact O-N 2.62Å
254	K	96.3	Very high	94.7	Very high	155 Å²	155	36.7 Å²	36.7	67%	0.674	22%	0.217	S	C	*	.	H	α-helix	trans	-57	-44.4	177.1	-179.5	-176.3	173.2	-170.7	0	111.2	T250 S251 Y252 S258	T250-K254 VanDerWaalsContact O-CB 3.3Å; T250-K254 WeakPolarHBondContact O-CB 3.26Å; T250-K254 PolarHBondContact O-N 3.2Å; S251-K254 PolarHBondContact O-N 3.43Å; Y252-K254 VanDerWaalsContact C-N 3.31Å; Y252-K254 PolarHBondContact O-N 3.49Å; K254-S258 WeakPolarHBondContact O-CB 3.43Å; K254-S258 PolarHBondContact O-N 3.3Å; K254-S258 PolarHBondContact O-OG 3.28Å
255	N	94.6	Very high	94.3	Very high	55 Å²	55	45.2 Å²	45.2	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-40.7	177.7	-75.1	-48.9	0	0	0	112.1	S251 Y252 V253 S258 G260 F261	S251-N255 PolarHBondContact O-N 3.43Å; S251-N255 VanDerWaalsContact O-N 3.13Å; S251-N255 PolarHBondContact O-ND2 3.05Å; Y252-N255 PolarHBondContact O-N 3.26Å; Y252-N255 VanDerWaalsContact O-N 3.12Å; V253-N255 VanDerWaalsContact C-N 3.29Å; V253-N255 PolarHBondContact O-N 3.48Å; N255-S258 PolarHBondContact O-OG 2.91Å; N255-G260 CarbonylContact O-C 3.51Å; N255-G260 VanDerWaalsContact O-CA 3.28Å; N255-G260 WeakPolarHBondContact O-CA 3.32Å; N255-G260 PolarHBondContact O-N 3.48Å; N255-F261 HydrophobicContact CB-CD1 4.06Å; N255-F261 HydrophobicContact CB-CD2 3.61Å; N255-F261 HydrophobicContact CB-CE1 3.97Å; N255-F261 HydrophobicContact CB-CE2 3.48Å; N255-F261 VanDerWaalsContact CB-CE2 3.48Å; N255-F261 HydrophobicContact CB-CG 3.89Å; N255-F261 HydrophobicContact CB-CZ 3.67Å; N255-F261 PolarHBondContact O-N 3.41Å
256	V	95.8	Very high	93.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-53.7	175.5	178.8	0	0	0	0	111.3	L103 Y106 L107 Y252 V253 S258 G259 F261 I268	L103-V256 HydrophobicContact CD1-CB 4.2Å; L103-V256 HydrophobicContact CD1-CG1 3.93Å; L103-V256 HydrophobicContact CD1-CG2 4.46Å; Y106-V256 HydrophobicContact CD1-CG1 3.85Å; Y106-V256 HydrophobicContact CE1-CG1 3.98Å; Y106-V256 VanDerWaalsContact CE1-O 3.29Å; Y106-V256 WeakPolarHBondContact CE1-O 3.17Å; L107-V256 HydrophobicContact CD2-CG1 4.18Å; Y252-V256 HydrophobicContact CD1-CG2 4.39Å; Y252-V256 HydrophobicContact CE1-CG2 3.86Å; Y252-V256 HydrophobicContact CE2-CG2 4Å; Y252-V256 PolarHBondContact O-N 2.94Å; Y252-V256 VanDerWaalsContact O-N 3.07Å; V253-V256 PolarHBondContact O-N 3.44Å; V256-S258 PolarHBondContact O-N 3.05Å; V256-G259 PolarHBondContact O-N 3.12Å; V256-G259 VanDerWaalsContact O-N 3.09Å; V256-F261 HydrophobicContact CG2-CB 4.32Å; V256-F261 HydrophobicContact CG2-CD2 3.83Å; V256-I268 HydrophobicContact CG1-CD1 3.98Å; V256-I268 HydrophobicContact CG1-CG1 4.39Å; V256-I268 HydrophobicContact CG2-CD1 4.02Å; V256-I268 HydrophobicContact CG2-CG2 4.06Å
257	V	95.8	Very high	93.7	Very high	49 Å²	49	50.9 Å²	50.9	30%	0.297	27%	0.273	S	S	.	.	H	α-helix	trans	-71.4	-30.3	-171	177.4	0	0	0	0	112.4	D102 Y106 V253 G259	D102-V257 HydrophobicContact CB-CG2 4.27Å; Y106-V257 HydrophobicContact CD2-CB 4.38Å; Y106-V257 HydrophobicContact CD2-CG1 4.09Å; Y106-V257 WeakPolarHBondContact CE2-O 3.48Å; Y106-V257 HydrophobicContact CG-CB 4.41Å; Y106-V257 HydrophobicContact CG-CG1 4.45Å; Y106-V257 HydrophobicContact CG-CG2 4.13Å; V253-V257 HydrophobicContact CG1-CG2 3.88Å; V253-V257 WeakPolarHBondContact O-CB 3.45Å; V253-V257 WeakPolarHBondContact O-CG2 3.32Å; V253-V257 PolarHBondContact O-N 2.62Å; V257-G259 PolarHBondContact O-N 2.9Å
258	S	92.3	Very high	93.6	Very high	84 Å²	84	47.7 Å²	47.7	59%	0.587	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.9	174	60.4	0	0	0	0	113.7	K254 N255 V256 G260	K254-S258 WeakPolarHBondContact O-CB 3.43Å; K254-S258 PolarHBondContact O-N 3.3Å; K254-S258 PolarHBondContact O-OG 3.28Å; N255-S258 PolarHBondContact O-OG 2.91Å; V256-S258 PolarHBondContact O-N 3.05Å; S258-G260 PolarHBondContact OG-N 3.44Å
259	G	87	Confident	93.4	Very high	39 Å²	39	48.2 Å²	48.2	40%	0.402	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	7.2	-172	0	0	0	0	0	113.7	V256 V257 F261	V256-G259 PolarHBondContact O-N 3.12Å; V256-G259 VanDerWaalsContact O-N 3.09Å; V257-G259 PolarHBondContact O-N 2.9Å; G259-F261 VanDerWaalsContact C-N 3.29Å; G259-F261 PolarHBondContact O-N 3.14Å
260	G	87.1	Confident	93.1	Very high	18 Å²	18	51.2 Å²	51.2	19%	0.186	27%	0.269	C	S	.	.	S	Bend	trans	-56.9	-43.5	170.3	0	0	0	0	0	111.3	N255 S258 P262	N255-G260 CarbonylContact O-C 3.51Å; N255-G260 VanDerWaalsContact O-CA 3.28Å; N255-G260 WeakPolarHBondContact O-CA 3.32Å; N255-G260 PolarHBondContact O-N 3.48Å; S258-G260 PolarHBondContact OG-N 3.44Å; G260-P262 WeakPolarHBondContact O-CD 3.39Å
261	F	93.3	Very high	92.8	Very high	10 Å²	10	49.5 Å²	49.5	4%	0.044	26%	0.258	C	S	.	.	S	Bend	trans	-95.5	106.5	168.6	-64.2	-22.8	0	0	0	110.9	Y252 N255 V256 G259 I268 F269 R270 V272	Y252-F261 HydrophobicContact CD2-CD2 4.14Å; Y252-F261 AromaticContact CD2-CE2 3.65Å; Y252-F261 HydrophobicContact CD2-CE2 3.65Å; Y252-F261 AromaticContact CE2-CD2 3.86Å; Y252-F261 HydrophobicContact CE2-CD2 3.86Å; Y252-F261 AromaticContact CE2-CE2 3.79Å; Y252-F261 HydrophobicContact CE2-CE2 3.79Å; N255-F261 HydrophobicContact CB-CD1 4.06Å; N255-F261 HydrophobicContact CB-CD2 3.61Å; N255-F261 HydrophobicContact CB-CE1 3.97Å; N255-F261 HydrophobicContact CB-CE2 3.48Å; N255-F261 VanDerWaalsContact CB-CE2 3.48Å; N255-F261 HydrophobicContact CB-CG 3.89Å; N255-F261 HydrophobicContact CB-CZ 3.67Å; N255-F261 PolarHBondContact O-N 3.41Å; V256-F261 HydrophobicContact CG2-CB 4.32Å; V256-F261 HydrophobicContact CG2-CD2 3.83Å; G259-F261 VanDerWaalsContact C-N 3.29Å; G259-F261 PolarHBondContact O-N 3.14Å; F261-I268 HydrophobicContact CB-CG2 3.74Å; F261-I268 HydrophobicContact CD2-CG2 4.38Å; F261-I268 HydrophobicContact CG-CG2 4.45Å; F261-F269 WeakPolarHBondContact CA-O 3.2Å; F261-F269 WeakPolarHBondContact CB-O 3.4Å; F261-R270 HydrophobicContact CE1-CB 4.33Å; F261-R270 HydrophobicContact CE2-CG 4.47Å; F261-R270 HydrophobicContact CZ-CB 4.5Å; F261-V272 HydrophobicContact CE1-CG2 3.91Å
262	P	91.1	Very high	92.5	Very high	20 Å²	20	50.7 Å²	50.7	13%	0.13	26%	0.263	C	S	.	.			trans	-66.9	140.8	-175.7	25.4	-36.2	0	0	0	112.2	G260 I264 F269	G260-P262 WeakPolarHBondContact O-CD 3.39Å; P262-I264 HydrophobicContact CB-CG1 4.44Å; P262-F269 VanDerWaalsContact CD-O 3.24Å; P262-F269 WeakPolarHBondContact CD-O 3.35Å; P262-F269 HydrophobicContact CG-CB 4.25Å; P262-F269 PolarHBondContact O-N 2.99Å
263	I	92.4	Very high	92.1	Very high	45 Å²	45	53.5 Å²	53.5	23%	0.231	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.1	168.9	-66.9	171.2	0	0	0	109.1	Y106 L107 R110 Q267 I268	Y106-I263 HydrophobicContact CD1-CD1 4.12Å; Y106-I263 HydrophobicContact CE1-CD1 3.52Å; L107-I263 HydrophobicContact CD2-CD1 3.9Å; R110-I263 HydrophobicContact CB-CD1 3.84Å; R110-I263 HydrophobicContact CG-CD1 4.36Å; I263-Q267 CarbonylContact C-O 3.59Å; I263-Q267 VanDerWaalsContact CA-O 3.23Å; I263-Q267 WeakPolarHBondContact CA-O 3.42Å; I263-I268 HydrophobicContact CG1-CG1 4.21Å
264	I	89	Confident	91.7	Very high	47 Å²	47	57 Å²	57	24%	0.241	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.6	178.7	-55.9	165.7	0	0	0	107.9	P262 D266 Q267 F269	P262-I264 HydrophobicContact CB-CG1 4.44Å; I264-D266 VanDerWaalsContact C-N 3.29Å; I264-D266 PolarHBondContact O-N 3.41Å; I264-Q267 PolarHBondContact N-O 2.91Å; I264-Q267 PolarHBondContact O-N 2.68Å; I264-F269 HydrophobicContact CB-CD2 3.74Å; I264-F269 HydrophobicContact CB-CE2 3.68Å; I264-F269 HydrophobicContact CD1-CD2 3.87Å; I264-F269 HydrophobicContact CD1-CE2 4.3Å; I264-F269 HydrophobicContact CD1-CG 4.17Å; I264-F269 HydrophobicContact CG1-CD2 4.07Å; I264-F269 HydrophobicContact CG1-CE2 4.44Å; I264-F269 HydrophobicContact CG2-CE2 4.36Å
265	R	88.3	Confident	91.4	Very high	222 Å²	222	54.8 Å²	54.8	84%	0.838	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	50.4	179.6	-59.5	176.8	-176.2	175.4	2.5	112.2	Q267	R265-Q267 VanDerWaalsContact C-N 3.25Å; R265-Q267 WeakPolarHBondContact O-CG 3.47Å; R265-Q267 PolarHBondContact O-N 3.18Å
266	D	89.2	Confident	91.3	Very high	103 Å²	103	60.1 Å²	60.1	55%	0.551	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	19.4	179.7	-47.5	-25.8	0	0	0	115.4	C111 I264	C111-D266 PolarHBondContact SG-O 3.32Å; I264-D266 VanDerWaalsContact C-N 3.29Å; I264-D266 PolarHBondContact O-N 3.41Å
267	Q	93.3	Very high	91.3	Very high	38 Å²	38	60.6 Å²	60.6	18%	0.178	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.9	176.3	-40.2	-173.9	32.6	0	0	111.1	P157 S162 Y169 I263 I264 R265 F269	P157-Q267 HydrophobicContact CB-CB 4.03Å; P157-Q267 HydrophobicContact CB-CG 3.78Å; P157-Q267 HydrophobicContact CG-CB 4.4Å; P157-Q267 HydrophobicContact CG-CG 3.92Å; S162-Q267 PolarHBondContact OG-OE1 3.39Å; Y169-Q267 PolarHBondContact OH-OE1 2.73Å; I263-Q267 CarbonylContact C-O 3.59Å; I263-Q267 VanDerWaalsContact CA-O 3.23Å; I263-Q267 WeakPolarHBondContact CA-O 3.42Å; I264-Q267 PolarHBondContact N-O 2.91Å; I264-Q267 PolarHBondContact O-N 2.68Å; R265-Q267 VanDerWaalsContact C-N 3.25Å; R265-Q267 WeakPolarHBondContact O-CG 3.47Å; R265-Q267 PolarHBondContact O-N 3.18Å; Q267-F269 HydrophobicContact CB-CD2 4.35Å; Q267-F269 HydrophobicContact CB-CE2 3.87Å
268	I	95.3	Very high	91.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.9	170.7	-60.8	168.1	0	0	0	108.1	L107 M114 G161 S162 Y252 V256 F261 I263	L107-I268 HydrophobicContact CD2-CD1 3.98Å; L107-I268 HydrophobicContact CD2-CG1 4.28Å; M114-I268 HydrophobicContact CE-CD1 3.31Å; M114-I268 HydrophobicContact CE-CG1 3.78Å; M114-I268 HydrophobicContact SD-CD1 4.24Å; G161-I268 CarbonylContact C-O 3.52Å; G161-I268 VanDerWaalsContact CA-O 3.29Å; G161-I268 WeakPolarHBondContact CA-O 3.18Å; S162-I268 PolarHBondContact N-O 3.34Å; Y252-I268 VanDerWaalsContact OH-CD1 3.23Å; Y252-I268 WeakPolarHBondContact OH-CD1 3.42Å; V256-I268 HydrophobicContact CG1-CD1 3.98Å; V256-I268 HydrophobicContact CG1-CG1 4.39Å; V256-I268 HydrophobicContact CG2-CD1 4.02Å; V256-I268 HydrophobicContact CG2-CG2 4.06Å; F261-I268 HydrophobicContact CB-CG2 3.74Å; F261-I268 HydrophobicContact CD2-CG2 4.38Å; F261-I268 HydrophobicContact CG-CG2 4.45Å; I263-I268 HydrophobicContact CG1-CG1 4.21Å
269	F	93.4	Very high	91.6	Very high	21 Å²	21	57.8 Å²	57.8	9%	0.092	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-109.6	130.2	170.9	-76.8	-98.2	0	0	0	110.5	S162 A164 F261 P262 I264 Q267 Y271	S162-F269 WeakPolarHBondContact O-CA 3.14Å; A164-F269 HydrophobicContact CB-CE1 4.14Å; F261-F269 WeakPolarHBondContact CA-O 3.2Å; F261-F269 WeakPolarHBondContact CB-O 3.4Å; P262-F269 VanDerWaalsContact CD-O 3.24Å; P262-F269 WeakPolarHBondContact CD-O 3.35Å; P262-F269 HydrophobicContact CG-CB 4.25Å; P262-F269 PolarHBondContact O-N 2.99Å; I264-F269 HydrophobicContact CB-CD2 3.74Å; I264-F269 HydrophobicContact CB-CE2 3.68Å; I264-F269 HydrophobicContact CD1-CD2 3.87Å; I264-F269 HydrophobicContact CD1-CE2 4.3Å; I264-F269 HydrophobicContact CD1-CG 4.17Å; I264-F269 HydrophobicContact CG1-CD2 4.07Å; I264-F269 HydrophobicContact CG1-CE2 4.44Å; I264-F269 HydrophobicContact CG2-CE2 4.36Å; Q267-F269 HydrophobicContact CB-CD2 4.35Å; Q267-F269 HydrophobicContact CB-CE2 3.87Å; F269-Y271 HydrophobicContact CB-CD2 3.93Å; F269-Y271 HydrophobicContact CB-CE2 4.37Å; F269-Y271 HydrophobicContact CD1-CE2 4.21Å; F269-Y271 PolarHBondContact O-N 2.95Å
270	R	91.8	Very high	92.2	Very high	63 Å²	63	60.1 Å²	60.1	24%	0.238	31%	0.311	C	S	.	.			trans	-79.7	36	-174.8	-63.4	-175.2	72	171.9	-2.2	114.5	L160 E172 Y223 F261 S291	L160-R270 WeakPolarHBondContact O-CD 3.32Å; E172-R270 IonicContact OE2-NH1 3.57Å; Y223-R270 PolarHBondContact OH-NH1 2.92Å; F261-R270 HydrophobicContact CE1-CB 4.33Å; F261-R270 HydrophobicContact CE2-CG 4.47Å; F261-R270 HydrophobicContact CZ-CB 4.5Å; R270-S291 WeakPolarHBondContact O-CB 3.3Å; R270-S291 PolarHBondContact O-OG 2.71Å
271	Y	91	Very high	92.7	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.016	32%	0.315	C	S	.	.			trans	-79	130.6	171	-74	-72.6	0	0	0	110.1	F269 T290 T307 R309 T364	F269-Y271 HydrophobicContact CB-CD2 3.93Å; F269-Y271 HydrophobicContact CB-CE2 4.37Å; F269-Y271 HydrophobicContact CD1-CE2 4.21Å; F269-Y271 PolarHBondContact O-N 2.95Å; Y271-T290 CarbonylContact C-O 3.52Å; Y271-T290 WeakPolarHBondContact CA-O 3.19Å; Y271-T307 VanDerWaalsContact CE1-OG1 3.26Å; Y271-T307 WeakPolarHBondContact CE1-OG1 3.37Å; Y271-T307 PolarHBondContact OH-OG1 3.11Å; Y271-R309 HydrophobicContact CD1-CB 4.05Å; Y271-R309 HydrophobicContact CD2-CB 4.28Å; Y271-R309 HydrophobicContact CE1-CB 4.03Å; Y271-R309 HydrophobicContact CE2-CB 4.27Å; Y271-R309 HydrophobicContact CG-CB 4.21Å; Y271-T364 WeakPolarHBondContact OH-CG2 3.5Å
272	V	89.8	Confident	92.8	Very high	76 Å²	76	64.1 Å²	64.1	46%	0.461	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-93.5	127.1	169.9	-178.3	0	0	0	0	108.2	F261 S289 T290	F261-V272 HydrophobicContact CE1-CG2 3.91Å; V272-S289 CarbonylContact O-C 3.53Å; V272-S289 VanDerWaalsContact O-CA 3.26Å; V272-S289 WeakPolarHBondContact O-CA 3.21Å; V272-T290 PolarHBondContact N-O 2.69Å; V272-T290 PolarHBondContact O-N 3.23Å
273	H	89.5	Confident	93.1	Very high	69 Å²	69	65.9 Å²	65.9	32%	0.319	35%	0.354	S	S	.	.			trans	-106.4	114.8	172.3	-177.6	50.8	0	0	0	109.6	V288	H273-V288 PolarHBondContact ND1-O 2.81Å
274	D	89.6	Confident	93.4	Very high	78 Å²	78	64 Å²	64	42%	0.417	34%	0.344	S	S	.	.			trans	-75.7	124	165.7	-174.6	-23	0	0	0	108.6	E276 C277	D274-E276 PolarHBondContact O-N 3.45Å; D274-E276 VanDerWaalsContact O-N 3.11Å; D274-E276 WeakPolarHBondContact OD1-CB 3.16Å; D274-E276 PolarHBondContact OD1-N 3.45Å; D274-C277 HydrophobicContact CB-CB 4.15Å; D274-C277 WeakPolarHBondContact O-CB 3.38Å; D274-C277 PolarHBondContact O-N 3.18Å
275	P	89.8	Confident	93.9	Very high	109 Å²	109	63 Å²	63	71%	0.708	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.1	176.5	-25.2	34.9	0	0	0	114.6	C277	P275-C277 VanDerWaalsContact C-N 3.34Å
276	E	92.4	Very high	94.4	Very high	167 Å²	167	52.4 Å²	52.4	78%	0.78	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.4	176.2	-60.3	-168.9	171.8	0	0	112.8	D274 V278	D274-E276 PolarHBondContact O-N 3.45Å; D274-E276 VanDerWaalsContact O-N 3.11Å; D274-E276 WeakPolarHBondContact OD1-CB 3.16Å; D274-E276 PolarHBondContact OD1-N 3.45Å; E276-V278 PolarHBondContact O-N 3.03Å
277	C	95.4	Very high	94.7	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.061	28%	0.28	C	S	.	.			trans	-81.2	51.9	177.6	-69.9	0	0	0	0	112	D274 P275 V288 P397 F399	D274-C277 HydrophobicContact CB-CB 4.15Å; D274-C277 WeakPolarHBondContact O-CB 3.38Å; D274-C277 PolarHBondContact O-N 3.18Å; P275-C277 VanDerWaalsContact C-N 3.34Å; C277-V288 PolarHBondContact O-N 2.7Å; C277-P397 VanDerWaalsContact C-CG 3.45Å; C277-P397 WeakPolarHBondContact O-CG 3.25Å; C277-F399 HydrophobicContact CB-CB 4.17Å; C277-F399 WeakPolarHBondContact SG-CB 3.44Å
278	V	97.3	Very high	94.9	Very high	55 Å²	55	46.5 Å²	46.5	33%	0.333	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.4	176.7	-176.8	0	0	0	0	109.5	E276 T285 V286	E276-V278 PolarHBondContact O-N 3.03Å; V278-T285 HydrophobicContact CG1-CG2 3.44Å; V278-T285 VanDerWaalsContact CG1-CG2 3.44Å; V278-V286 WeakPolarHBondContact CA-O 3.48Å
279	A	98.3	Very high	94.9	Very high	19 Å²	19	46.7 Å²	46.7	16%	0.157	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.4	171.7	0	0	0	0	0	110.8	T285 V286 A395 P397	A279-T285 WeakPolarHBondContact O-CA 3.39Å; A279-V286 PolarHBondContact N-O 2.97Å; A279-V286 PolarHBondContact O-N 3.12Å; A279-A395 HydrophobicContact CB-CB 4.38Å; A279-P397 HydrophobicContact CB-CB 3.93Å; A279-P397 HydrophobicContact CB-CG 4.24Å
280	T	98.3	Very high	95	Very high	89 Å²	89	46.9 Å²	46.9	55%	0.546	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.9	176.9	-58.3	0	0	0	0	109.6	G282 I284 T285	T280-G282 VanDerWaalsContact CG2-O 3.29Å; T280-G282 WeakPolarHBondContact CG2-O 3.1Å; T280-I284 CarbonylContact C-O 3.54Å; T280-I284 WeakPolarHBondContact CA-O 3.31Å; T280-T285 WeakPolarHBondContact CG2-OG1 3.39Å; T280-T285 PolarHBondContact OG1-OG1 3.46Å
281	T	98.3	Very high	95.1	Very high	45 Å²	45	44.4 Å²	44.4	28%	0.276	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	104.9	173.8	-52.5	0	0	0	0	109.1	D283 I284 N393 A395	T281-D283 PolarHBondContact O-N 3.17Å; T281-I284 PolarHBondContact N-O 3.02Å; T281-I284 PolarHBondContact O-N 3.48Å; T281-N393 WeakPolarHBondContact CG2-O 3.23Å; T281-A395 PolarHBondContact OG1-N 3.27Å
282	G	95.9	Very high	95.3	Very high	67 Å²	67	45.5 Å²	45.5	69%	0.691	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-124	-170.4	0	0	0	0	0	110.6	T280	T280-G282 VanDerWaalsContact CG2-O 3.29Å; T280-G282 WeakPolarHBondContact CG2-O 3.1Å
283	D	97.3	Very high	95.4	Very high	57 Å²	57	41.9 Å²	41.9	31%	0.305	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.4	-177.3	-54.7	-47.3	0	0	0	113.5	T281 M314 S315 A318	T281-D283 PolarHBondContact O-N 3.17Å; D283-M314 HydrophobicContact CB-CG 4.09Å; D283-M314 VanDerWaalsContact O-CA 3.28Å; D283-M314 WeakPolarHBondContact O-CA 3.29Å; D283-S315 PolarHBondContact O-N 2.92Å; D283-A318 HydrophobicContact CB-CB 3.79Å
284	I	98.4	Very high	95.5	Very high	4 Å²	4	39 Å²	39	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.9	-176.3	-59.2	172.4	0	0	0	109.9	T280 T281 I312 E313 M314 C324 F392 V394	T280-I284 CarbonylContact C-O 3.54Å; T280-I284 WeakPolarHBondContact CA-O 3.31Å; T281-I284 PolarHBondContact N-O 3.02Å; T281-I284 PolarHBondContact O-N 3.48Å; I284-I312 HydrophobicContact CG2-CG2 3.82Å; I284-E313 CarbonylContact C-O 3.45Å; I284-E313 VanDerWaalsContact CA-O 3.27Å; I284-E313 WeakPolarHBondContact CA-O 3.31Å; I284-M314 HydrophobicContact CD1-CE 3.99Å; I284-M314 HydrophobicContact CG1-CB 4.4Å; I284-M314 HydrophobicContact CG1-CE 3.8Å; I284-C324 WeakPolarHBondContact CD1-SG 3.15Å; I284-F392 HydrophobicContact CD1-CE2 4Å; I284-F392 HydrophobicContact CD1-CZ 4.01Å; I284-V394 HydrophobicContact CB-CG1 4.24Å; I284-V394 HydrophobicContact CB-CG2 4.32Å; I284-V394 HydrophobicContact CD1-CG2 3.9Å; I284-V394 HydrophobicContact CG2-CG1 3.78Å; I284-V394 HydrophobicContact CG2-CG2 4.32Å
285	T	98.6	Very high	95.5	Very high	26 Å²	26	36.3 Å²	36.3	16%	0.16	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132	175.2	-60.1	0	0	0	0	110.2	V278 A279 T280 I312 E313	V278-T285 HydrophobicContact CG1-CG2 3.44Å; V278-T285 VanDerWaalsContact CG1-CG2 3.44Å; A279-T285 WeakPolarHBondContact O-CA 3.39Å; T280-T285 WeakPolarHBondContact CG2-OG1 3.39Å; T280-T285 PolarHBondContact OG1-OG1 3.46Å; T285-I312 WeakPolarHBondContact O-CA 3.49Å; T285-E313 PolarHBondContact N-O 3.38Å; T285-E313 PolarHBondContact O-N 2.85Å
286	V	98.6	Very high	95.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.4	173.3	-178.1	0	0	0	0	108.4	V278 A279 I310 R311 I312 Y380 V394 I396	V278-V286 WeakPolarHBondContact CA-O 3.48Å; A279-V286 PolarHBondContact N-O 2.97Å; A279-V286 PolarHBondContact O-N 3.12Å; V286-I310 HydrophobicContact CG1-CG2 3.89Å; V286-R311 CarbonylContact C-O 3.53Å; V286-R311 WeakPolarHBondContact CA-O 3.35Å; V286-I312 HydrophobicContact CG2-CG1 4.45Å; V286-I312 HydrophobicContact CG2-CG2 4.44Å; V286-Y380 HydrophobicContact CG1-CE2 4.16Å; V286-Y380 HydrophobicContact CG2-CD2 4.23Å; V286-Y380 HydrophobicContact CG2-CE2 4.21Å; V286-V394 HydrophobicContact CG2-CG1 3.69Å; V286-I396 HydrophobicContact CG1-CG1 4.4Å; V286-I396 HydrophobicContact CG1-CG2 4.24Å
287	S	97.6	Very high	95.6	Very high	16 Å²	16	26.2 Å²	26.2	11%	0.112	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.3	175.1	-50.3	0	0	0	0	110	R311	S287-R311 PolarHBondContact N-O 3.4Å; S287-R311 PolarHBondContact O-N 3.44Å
288	V	97.1	Very high	95.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.1	-177.9	-169.3	0	0	0	0	110.9	H273 C277 T290 I310 I396 P397 F399	H273-V288 PolarHBondContact ND1-O 2.81Å; C277-V288 PolarHBondContact O-N 2.7Å; V288-T290 HydrophobicContact CG1-CG2 4.36Å; V288-I310 HydrophobicContact CG1-CG1 4.16Å; V288-I310 HydrophobicContact CG2-CG1 4.15Å; V288-I396 HydrophobicContact CG2-CG2 4.2Å; V288-P397 HydrophobicContact CG2-CG 3.89Å; V288-F399 HydrophobicContact CB-CB 4.45Å; V288-F399 HydrophobicContact CB-CD1 3.87Å; V288-F399 HydrophobicContact CB-CE1 4.24Å; V288-F399 HydrophobicContact CB-CG 4.15Å; V288-F399 HydrophobicContact CG1-CB 4.46Å; V288-F399 HydrophobicContact CG1-CD1 3.67Å; V288-F399 HydrophobicContact CG1-CD2 3.94Å; V288-F399 HydrophobicContact CG1-CE1 3.71Å; V288-F399 HydrophobicContact CG1-CE2 3.97Å; V288-F399 HydrophobicContact CG1-CG 3.78Å; V288-F399 HydrophobicContact CG1-CZ 3.86Å; V288-F399 HydrophobicContact CG2-CD1 3.74Å; V288-F399 HydrophobicContact CG2-CE1 3.9Å
289	S	94.9	Very high	95.2	Very high	5 Å²	5	24.8 Å²	24.8	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.3	170.4	-40.3	0	0	0	0	109.1	V272 Y308 R309	V272-S289 CarbonylContact O-C 3.53Å; V272-S289 VanDerWaalsContact O-CA 3.26Å; V272-S289 WeakPolarHBondContact O-CA 3.21Å; S289-Y308 CarbonylContact O-C 3.59Å; S289-Y308 VanDerWaalsContact O-CA 3.27Å; S289-Y308 WeakPolarHBondContact O-CA 3.24Å; S289-R309 PolarHBondContact N-O 2.7Å; S289-R309 PolarHBondContact O-N 3.42Å; S289-R309 PolarHBondContact OG-NH2 2.82Å
290	T	95.6	Very high	94.6	Very high	24 Å²	24	25.6 Å²	25.6	15%	0.147	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.3	-175.1	60.6	0	0	0	0	111.7	Y271 V272 V288 T307 F399 M401	Y271-T290 CarbonylContact C-O 3.52Å; Y271-T290 WeakPolarHBondContact CA-O 3.19Å; V272-T290 PolarHBondContact N-O 2.69Å; V272-T290 PolarHBondContact O-N 3.23Å; V288-T290 HydrophobicContact CG1-CG2 4.36Å; T290-T307 CarbonylContact C-O 3.55Å; T290-T307 VanDerWaalsContact CA-O 3.26Å; T290-T307 WeakPolarHBondContact CA-O 3.37Å; T290-F399 HydrophobicContact CG2-CD2 3.6Å; T290-F399 HydrophobicContact CG2-CE2 4.02Å; T290-M401 HydrophobicContact CG2-CG 3.71Å; T290-M401 HydrophobicContact CG2-SD 4.12Å
291	S	93.9	Very high	94.1	Very high	12 Å²	12	24.4 Å²	24.4	8%	0.084	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	135.3	173.9	-177.6	0	0	0	0	109.4	R270 F306 T307	R270-S291 WeakPolarHBondContact O-CB 3.3Å; R270-S291 PolarHBondContact O-OG 2.71Å; S291-F306 CarbonylContact O-C 3.14Å; S291-F306 WeakPolarHBondContact O-CA 3.17Å; S291-T307 WeakPolarHBondContact CB-OG1 3.44Å; S291-T307 PolarHBondContact N-O 3.24Å; S291-T307 PolarHBondContact O-N 2.93Å
292	F	94.3	Very high	93.8	Very high	27 Å²	27	25.4 Å²	25.4	12%	0.118	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142	168.8	176.8	-111.3	0	0	0	110.3	F239 P294 S297 Y304 F306 C403 P404	F239-F292 AromaticContact CD1-CE1 3.95Å; F239-F292 HydrophobicContact CD1-CE1 3.95Å; F239-F292 AromaticContact CD1-CZ 3.99Å; F239-F292 HydrophobicContact CD1-CZ 3.99Å; F239-F292 HydrophobicContact CD2-CE1 4.04Å; F239-F292 HydrophobicContact CD2-CZ 4.26Å; F239-F292 HydrophobicContact CE1-CE1 4.06Å; F239-F292 AromaticContact CE1-CZ 3.61Å; F239-F292 HydrophobicContact CE1-CZ 3.61Å; F239-F292 HydrophobicContact CE2-CE1 4.1Å; F239-F292 AromaticContact CE2-CZ 3.86Å; F239-F292 HydrophobicContact CE2-CZ 3.86Å; F239-F292 AromaticContact CG-CE1 3.97Å; F239-F292 HydrophobicContact CG-CE1 3.97Å; F239-F292 HydrophobicContact CG-CZ 4.33Å; F239-F292 HydrophobicContact CZ-CE1 4.14Å; F239-F292 AromaticContact CZ-CZ 3.55Å; F239-F292 HydrophobicContact CZ-CZ 3.55Å; F292-P294 HydrophobicContact CD1-CG 3.81Å; F292-P294 HydrophobicContact CE1-CB 4.1Å; F292-P294 HydrophobicContact CE1-CG 3.76Å; F292-P294 WeakPolarHBondContact O-CD 3.44Å; F292-S297 WeakPolarHBondContact CE2-OG 3.35Å; F292-S297 VanDerWaalsContact CZ-CB 3.4Å; F292-S297 WeakPolarHBondContact CZ-OG 3.39Å; F292-Y304 HydrophobicContact CE2-CD1 4.09Å; F292-Y304 HydrophobicContact CZ-CD1 4.46Å; F292-F306 HydrophobicContact CB-CD1 4.03Å; F292-F306 HydrophobicContact CB-CE1 3.87Å; F292-F306 HydrophobicContact CD2-CD1 4.01Å; F292-F306 AromaticContact CD2-CE1 3.56Å; F292-F306 HydrophobicContact CD2-CE1 3.56Å; F292-F306 HydrophobicContact CD2-CE2 4.34Å; F292-F306 AromaticContact CD2-CZ 3.75Å; F292-F306 HydrophobicContact CD2-CZ 3.75Å; F292-F306 HydrophobicContact CE2-CZ 4.35Å; F292-F306 HydrophobicContact CG-CE1 4.15Å; F292-C403 HydrophobicContact CD2-CB 3.96Å; F292-C403 HydrophobicContact CE1-CB 4.43Å; F292-C403 HydrophobicContact CE2-CB 3.67Å; F292-C403 HydrophobicContact CG-CB 4.45Å; F292-C403 HydrophobicContact CZ-CB 3.92Å; F292-P404 HydrophobicContact CD1-CG 3.86Å; F292-P404 HydrophobicContact CE1-CG 4.28Å
293	L	92.8	Very high	93.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.			trans	-114.6	91.5	-179.6	-90.4	63.6	0	0	0	110.8	M163 L165 E295 L296 S297 F305 T307	M163-L293 HydrophobicContact CE-CD1 3.46Å; M163-L293 VanDerWaalsContact CE-CD1 3.46Å; M163-L293 HydrophobicContact CE-CD2 3.93Å; M163-L293 HydrophobicContact CE-CG 3.34Å; M163-L293 HydrophobicContact SD-CD1 3.54Å; M163-L293 VanDerWaalsContact SD-CD1 3.54Å; M163-L293 HydrophobicContact SD-CD2 3.36Å; M163-L293 WeakPolarHBondContact SD-CD2 3.48Å; M163-L293 HydrophobicContact SD-CG 3.47Å; M163-L293 WeakPolarHBondContact SD-CG 3.43Å; L165-L293 HydrophobicContact CD1-CD2 4.37Å; L293-E295 PolarHBondContact O-N 2.59Å; L293-E295 VanDerWaalsContact O-N 3.12Å; L293-L296 HydrophobicContact CB-CB 4.47Å; L293-L296 HydrophobicContact CD2-CD1 3.86Å; L293-L296 HydrophobicContact CD2-CG 4.49Å; L293-L296 PolarHBondContact O-N 3.48Å; L293-S297 WeakPolarHBondContact O-CB 3.45Å; L293-S297 PolarHBondContact O-N 2.91Å; L293-S297 PolarHBondContact O-OG 3.48Å; L293-F305 HydrophobicContact CB-CB 4.3Å; L293-F305 HydrophobicContact CB-CD1 3.98Å; L293-F305 HydrophobicContact CD2-CD1 3.66Å; L293-F305 HydrophobicContact CD2-CE1 3.76Å; L293-F305 HydrophobicContact CG-CD1 4.26Å; L293-F305 PolarHBondContact N-O 2.88Å; L293-T307 HydrophobicContact CD1-CG2 3.53Å; L293-T307 HydrophobicContact CD2-CG2 3.78Å; L293-T307 HydrophobicContact CG-CG2 4.28Å
294	P	91.8	Very high	93.7	Very high	9 Å²	9	23.4 Å²	23.4	6%	0.058	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-56.3	-31.6	-179.1	-26	33	0	0	0	114.3	Y223 P226 F239 F292 L296 S297	Y223-P294 HydrophobicContact CD1-CB 4.4Å; Y223-P294 HydrophobicContact CD2-CB 3.82Å; Y223-P294 HydrophobicContact CD2-CG 3.6Å; Y223-P294 HydrophobicContact CE2-CB 4.33Å; Y223-P294 HydrophobicContact CE2-CG 3.75Å; Y223-P294 HydrophobicContact CG-CB 3.84Å; Y223-P294 HydrophobicContact CG-CG 4.14Å; P226-P294 WeakPolarHBondContact CD-O 3.27Å; F239-P294 HydrophobicContact CD2-CB 3.92Å; F239-P294 HydrophobicContact CE2-CB 4.41Å; F292-P294 HydrophobicContact CD1-CG 3.81Å; F292-P294 HydrophobicContact CE1-CB 4.1Å; F292-P294 HydrophobicContact CE1-CG 3.76Å; F292-P294 WeakPolarHBondContact O-CD 3.44Å; P294-L296 VanDerWaalsContact C-N 3.31Å; P294-L296 PolarHBondContact O-N 3.14Å; P294-S297 PolarHBondContact O-N 3.25Å; P294-S297 VanDerWaalsContact O-O 3.13Å
295	E	88.8	Confident	93.5	Very high	20 Å²	20	24.6 Å²	24.6	9%	0.093	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-79.7	-13.3	-173.9	82.9	-155	138.3	0	0	114.5	H168 R170 T202 L204 P226 L293	H168-E295 IonicContact CD2-OE1 2.84Å; H168-E295 IonicContact CE1-OE1 3.88Å; H168-E295 VanDerWaalsContact NE2-CD 3.34Å; H168-E295 IonicContact NE2-OE1 3.75Å; H168-E295 PolarHBondContact NE2-OE1 3.11Å; R170-E295 WeakPolarHBondContact CD-OE1 3.45Å; R170-E295 WeakPolarHBondContact CD-OE2 3.43Å; R170-E295 IonicContact CZ-OE1 2.69Å; R170-E295 IonicContact CZ-OE2 3.18Å; R170-E295 IonicContact NE-OE1 2.92Å; R170-E295 IonicContact NE-OE2 3.09Å; R170-E295 VanDerWaalsContact NH1-CD 3.26Å; R170-E295 IonicContact NH1-OE1 2.71Å; R170-E295 PolarHBondContact NH1-OE1 3.09Å; R170-E295 IonicContact NH1-OE2 2.82Å; R170-E295 PolarHBondContact NH1-OE2 2.92Å; T202-E295 WeakPolarHBondContact CB-OE2 3.43Å; T202-E295 WeakPolarHBondContact CG2-OE2 3.47Å; T202-E295 PolarHBondContact OG1-OE2 2.84Å; L204-E295 HydrophobicContact CD1-CB 4.34Å; L204-E295 HydrophobicContact CD2-CB 3.59Å; L204-E295 HydrophobicContact CG-CB 4.44Å; P226-E295 WeakPolarHBondContact CG-O 3.31Å; L293-E295 PolarHBondContact O-N 2.59Å; L293-E295 VanDerWaalsContact O-N 3.12Å
296	L	91.3	Very high	93.4	Very high	63 Å²	63	23.5 Å²	23.5	33%	0.33	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-116.5	12.5	174.6	-59.1	-178.7	0	0	0	110.6	L293 P294 H303 F305	L293-L296 HydrophobicContact CB-CB 4.47Å; L293-L296 HydrophobicContact CD2-CD1 3.86Å; L293-L296 HydrophobicContact CD2-CG 4.49Å; L293-L296 PolarHBondContact O-N 3.48Å; P294-L296 VanDerWaalsContact C-N 3.31Å; P294-L296 PolarHBondContact O-N 3.14Å; L296-H303 PolarHBondContact O-CE1 3.25Å; L296-H303 PolarHBondContact O-ND1 3.38Å; L296-F305 HydrophobicContact CB-CB 3.84Å; L296-F305 HydrophobicContact CB-CD1 4.44Å; L296-F305 HydrophobicContact CB-CD2 4.04Å; L296-F305 HydrophobicContact CB-CG 3.86Å; L296-F305 HydrophobicContact CD1-CD1 4.22Å; L296-F305 HydrophobicContact CD1-CD2 4.24Å; L296-F305 HydrophobicContact CD1-CE1 4.11Å; L296-F305 HydrophobicContact CD1-CE2 4.17Å; L296-F305 HydrophobicContact CD1-CG 4.26Å; L296-F305 HydrophobicContact CD1-CZ 4.09Å; L296-F305 WeakPolarHBondContact O-CB 3.2Å
297	S	93.9	Very high	93.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	13%	0.131	C	C	.	.			trans	-121.8	133.4	-177	-56.8	0	0	0	0	111.3	P226 F239 F292 L293 P294 H303 F305	P226-S297 WeakPolarHBondContact CD-O 3.27Å; F239-S297 VanDerWaalsContact CE2-O 3.31Å; F239-S297 WeakPolarHBondContact CE2-O 3.48Å; F292-S297 WeakPolarHBondContact CE2-OG 3.35Å; F292-S297 VanDerWaalsContact CZ-CB 3.4Å; F292-S297 WeakPolarHBondContact CZ-OG 3.39Å; L293-S297 WeakPolarHBondContact O-CB 3.45Å; L293-S297 PolarHBondContact O-N 2.91Å; L293-S297 PolarHBondContact O-OG 3.48Å; P294-S297 PolarHBondContact O-N 3.25Å; P294-S297 VanDerWaalsContact O-O 3.13Å; S297-H303 CarbonylContact C-O 3.58Å; S297-H303 WeakPolarHBondContact CA-O 3.37Å; S297-H303 WeakPolarHBondContact CB-O 3.4Å; S297-F305 PolarHBondContact OG-N 2.8Å
298	S	92.8	Very high	93.2	Very high	15 Å²	15	23.4 Å²	23.4	11%	0.105	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-123.4	145.8	176.5	51.6	0	0	0	0	109.7	P226 P301 H303	P226-S298 WeakPolarHBondContact O-CB 3.14Å; S298-P301 CarbonylContact C-O 3.58Å; S298-P301 WeakPolarHBondContact CB-O 3.2Å; S298-P301 PolarHBondContact OG-O 2.84Å; S298-H303 PolarHBondContact N-O 3.35Å; S298-H303 PolarHBondContact O-N 2.94Å; S298-H303 VanDerWaalsContact O-O 3.13Å; S298-H303 WeakPolarHBondContact OG-CB 3.43Å
299	V	91.3	Very high	93.1	Very high	19 Å²	19	24.8 Å²	24.8	12%	0.115	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-34.5	170.5	174.2	0	0	0	0	109.8	D237 F239 P302 F406	D237-V299 HydrophobicContact CB-CB 3.98Å; D237-V299 HydrophobicContact CB-CG2 4.12Å; D237-V299 WeakPolarHBondContact OD2-CB 3.49Å; D237-V299 VanDerWaalsContact OD2-CG1 3.26Å; D237-V299 WeakPolarHBondContact OD2-CG1 3.23Å; F239-V299 HydrophobicContact CE1-CG2 3.9Å; F239-V299 HydrophobicContact CZ-CG2 4.09Å; V299-P302 VanDerWaalsContact O-CA 3.31Å; V299-P302 WeakPolarHBondContact O-CA 3.47Å; V299-F406 HydrophobicContact CB-CD2 4.28Å; V299-F406 HydrophobicContact CB-CE2 4.44Å; V299-F406 HydrophobicContact CG1-CD2 3.69Å; V299-F406 HydrophobicContact CG1-CE2 3.43Å; V299-F406 VanDerWaalsContact CG1-CE2 3.43Å; V299-F406 HydrophobicContact CG1-CZ 4.17Å; V299-F406 HydrophobicContact CG2-CB 4.01Å; V299-F406 HydrophobicContact CG2-CD1 4.4Å; V299-F406 HydrophobicContact CG2-CD2 3.54Å; V299-F406 HydrophobicContact CG2-CE2 4.08Å; V299-F406 HydrophobicContact CG2-CG 3.72Å
300	H	85.2	Confident	93.1	Very high	36 Å²	36	24.6 Å²	24.6	17%	0.167	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	123.8	176.2	-174.5	81.6	0	0	0	110	R412 E424	H300-R412 PolarHBondContact CD2-NH1 2.84Å; H300-R412 PolarHBondContact NE2-NH1 2.85Å; H300-E424 IonicContact CE1-OE1 3.72Å
301	P	88	Confident	93.2	Very high	64 Å²	64	26.5 Å²	26.5	42%	0.416	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	cis	-59.4	153.1	-14.1	29.4	-32.9	0	0	0	109.7	M229 S298 H303	M229-P301 HydrophobicContact SD-CG 4.28Å; S298-P301 CarbonylContact C-O 3.58Å; S298-P301 WeakPolarHBondContact CB-O 3.2Å; S298-P301 PolarHBondContact OG-O 2.84Å; P301-H303 PolarHBondContact O-N 2.73Å
302	P	91.5	Very high	93.4	Very high	67 Å²	67	26 Å²	26	44%	0.435	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	105	-173.2	27.7	-34.5	0	0	0	111.2	V299 Y304 S370	V299-P302 VanDerWaalsContact O-CA 3.31Å; V299-P302 WeakPolarHBondContact O-CA 3.47Å; P302-Y304 HydrophobicContact CB-CE2 4.03Å; P302-S370 WeakPolarHBondContact O-CA 3.12Å
303	H	94.3	Very high	93.6	Very high	73 Å²	73	27.3 Å²	27.3	34%	0.338	14%	0.139	S	C	.	.	B	Isolated β-bridge	trans	-139.9	108.5	179.5	-178.1	-97.4	0	0	0	109.3	L296 S297 S298 P301 T368	L296-H303 PolarHBondContact O-CE1 3.25Å; L296-H303 PolarHBondContact O-ND1 3.38Å; S297-H303 CarbonylContact C-O 3.58Å; S297-H303 WeakPolarHBondContact CA-O 3.37Å; S297-H303 WeakPolarHBondContact CB-O 3.4Å; S298-H303 PolarHBondContact N-O 3.35Å; S298-H303 PolarHBondContact O-N 2.94Å; S298-H303 VanDerWaalsContact O-O 3.13Å; S298-H303 WeakPolarHBondContact OG-CB 3.43Å; P301-H303 PolarHBondContact O-N 2.73Å; H303-T368 VanDerWaalsContact NE2-CG2 3.32Å; H303-T368 WeakPolarHBondContact NE2-CG2 3.41Å
304	Y	96.3	Very high	93.9	Very high	8 Å²	8	27.5 Å²	27.5	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.3	-175.6	-61.1	-91.5	0	0	0	110.1	F239 F292 P302 F306 T368 F369 T371 T372 C403	F239-Y304 HydrophobicContact CE1-CE1 4.18Å; F292-Y304 HydrophobicContact CE2-CD1 4.09Å; F292-Y304 HydrophobicContact CZ-CD1 4.46Å; P302-Y304 HydrophobicContact CB-CE2 4.03Å; Y304-F306 WeakPolarHBondContact O-CD2 3.46Å; Y304-T368 WeakPolarHBondContact O-CA 3.36Å; Y304-F369 PolarHBondContact N-O 3.26Å; Y304-F369 PolarHBondContact O-N 2.98Å; Y304-T371 VanDerWaalsContact CD2-C 3.42Å; Y304-T371 VanDerWaalsContact CD2-O 3.29Å; Y304-T371 WeakPolarHBondContact CD2-O 3.38Å; Y304-T372 HydrophobicContact CE1-CG2 3.92Å; Y304-T372 HydrophobicContact CE2-CG2 4.05Å; Y304-T372 WeakPolarHBondContact OH-CG2 3.44Å; Y304-C403 HydrophobicContact CD1-CB 3.7Å; Y304-C403 HydrophobicContact CE1-CB 4.09Å
305	F	95.9	Very high	94.1	Very high	29 Å²	29	29 Å²	29	13%	0.127	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.1	-176.4	-160.8	-73.3	0	0	0	111.2	L165 L293 L296 S297 T307 C366 T368	L165-F305 HydrophobicContact CD1-CE1 4.04Å; L165-F305 HydrophobicContact CD1-CZ 4.3Å; L293-F305 HydrophobicContact CB-CB 4.3Å; L293-F305 HydrophobicContact CB-CD1 3.98Å; L293-F305 HydrophobicContact CD2-CD1 3.66Å; L293-F305 HydrophobicContact CD2-CE1 3.76Å; L293-F305 HydrophobicContact CG-CD1 4.26Å; L293-F305 PolarHBondContact N-O 2.88Å; L296-F305 HydrophobicContact CB-CB 3.84Å; L296-F305 HydrophobicContact CB-CD1 4.44Å; L296-F305 HydrophobicContact CB-CD2 4.04Å; L296-F305 HydrophobicContact CB-CG 3.86Å; L296-F305 HydrophobicContact CD1-CD1 4.22Å; L296-F305 HydrophobicContact CD1-CD2 4.24Å; L296-F305 HydrophobicContact CD1-CE1 4.11Å; L296-F305 HydrophobicContact CD1-CE2 4.17Å; L296-F305 HydrophobicContact CD1-CG 4.26Å; L296-F305 HydrophobicContact CD1-CZ 4.09Å; L296-F305 WeakPolarHBondContact O-CB 3.2Å; S297-F305 PolarHBondContact OG-N 2.8Å; F305-T307 HydrophobicContact CD1-CG2 4.44Å; F305-T307 HydrophobicContact CE1-CG2 3.95Å; F305-C366 HydrophobicContact CD1-CB 4.39Å; F305-C366 HydrophobicContact CE1-CB 3.36Å; F305-C366 HydrophobicContact CE2-CB 4.45Å; F305-C366 HydrophobicContact CZ-CB 3.4Å; F305-C366 VanDerWaalsContact CZ-CB 3.4Å; F305-C366 VanDerWaalsContact CZ-SG 3.57Å; F305-T368 HydrophobicContact CB-CG2 4.4Å; F305-T368 HydrophobicContact CD2-CG2 3.38Å; F305-T368 HydrophobicContact CE2-CG2 3.89Å; F305-T368 HydrophobicContact CG-CG2 4.1Å
306	F	96.3	Very high	94.5	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.8	176.1	-62.3	-91.1	0	0	0	110.7	S291 F292 Y304 C366 T367 F369 M401 C403	S291-F306 CarbonylContact O-C 3.14Å; S291-F306 WeakPolarHBondContact O-CA 3.17Å; F292-F306 HydrophobicContact CB-CD1 4.03Å; F292-F306 HydrophobicContact CB-CE1 3.87Å; F292-F306 HydrophobicContact CD2-CD1 4.01Å; F292-F306 AromaticContact CD2-CE1 3.56Å; F292-F306 HydrophobicContact CD2-CE1 3.56Å; F292-F306 HydrophobicContact CD2-CE2 4.34Å; F292-F306 AromaticContact CD2-CZ 3.75Å; F292-F306 HydrophobicContact CD2-CZ 3.75Å; F292-F306 HydrophobicContact CE2-CZ 4.35Å; F292-F306 HydrophobicContact CG-CE1 4.15Å; Y304-F306 WeakPolarHBondContact O-CD2 3.46Å; F306-C366 CarbonylContact O-C 3.52Å; F306-C366 WeakPolarHBondContact O-CA 3.23Å; F306-C366 WeakPolarHBondContact O-CB 3.44Å; F306-T367 HydrophobicContact CB-CG2 4.26Å; F306-T367 PolarHBondContact N-O 3.48Å; F306-T367 PolarHBondContact O-N 3.45Å; F306-T367 VanDerWaalsContact O-O 3.12Å; F306-F369 AromaticContact CD2-CD2 3.61Å; F306-F369 HydrophobicContact CD2-CD2 3.61Å; F306-F369 AromaticContact CD2-CE2 4Å; F306-F369 HydrophobicContact CD2-CE2 4Å; F306-F369 AromaticContact CE2-CD2 3.68Å; F306-F369 HydrophobicContact CE2-CD2 3.68Å; F306-F369 HydrophobicContact CE2-CE2 4.33Å; F306-M401 HydrophobicContact CB-CB 4.47Å; F306-M401 HydrophobicContact CB-CG 4.23Å; F306-M401 HydrophobicContact CB-SD 3.54Å; F306-M401 VanDerWaalsContact CB-SD 3.54Å; F306-M401 HydrophobicContact CD1-CB 3.66Å; F306-M401 HydrophobicContact CD1-CG 4Å; F306-M401 HydrophobicContact CD1-SD 4.42Å; F306-M401 HydrophobicContact CD2-CB 4.18Å; F306-M401 HydrophobicContact CE1-CB 3.8Å; F306-M401 HydrophobicContact CE2-CB 4.32Å; F306-M401 HydrophobicContact CG-CB 3.84Å; F306-M401 HydrophobicContact CG-CG 4.11Å; F306-M401 HydrophobicContact CG-SD 3.96Å; F306-M401 HydrophobicContact CZ-CB 4.13Å; F306-C403 HydrophobicContact CZ-CB 4.29Å
307	T	95.6	Very high	94.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.3	165.9	60.3	0	0	0	0	109.9	L165 Y271 T290 S291 L293 F305 S365 C366	L165-T307 HydrophobicContact CD1-CG2 3.64Å; L165-T307 HydrophobicContact CD2-CG2 3.74Å; L165-T307 HydrophobicContact CG-CG2 3.99Å; Y271-T307 VanDerWaalsContact CE1-OG1 3.26Å; Y271-T307 WeakPolarHBondContact CE1-OG1 3.37Å; Y271-T307 PolarHBondContact OH-OG1 3.11Å; T290-T307 CarbonylContact C-O 3.55Å; T290-T307 VanDerWaalsContact CA-O 3.26Å; T290-T307 WeakPolarHBondContact CA-O 3.37Å; S291-T307 WeakPolarHBondContact CB-OG1 3.44Å; S291-T307 PolarHBondContact N-O 3.24Å; S291-T307 PolarHBondContact O-N 2.93Å; L293-T307 HydrophobicContact CD1-CG2 3.53Å; L293-T307 HydrophobicContact CD2-CG2 3.78Å; L293-T307 HydrophobicContact CG-CG2 4.28Å; F305-T307 HydrophobicContact CD1-CG2 4.44Å; F305-T307 HydrophobicContact CE1-CG2 3.95Å; T307-S365 WeakPolarHBondContact CA-O 3.45Å; T307-C366 HydrophobicContact CG2-CB 4.19Å
308	Y	95.3	Very high	94.8	Very high	15 Å²	15	40.9 Å²	40.9	6%	0.059	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.8	173.7	55.5	-95.5	0	0	0	110.1	S289 I310 W331 Y363 T364 S365 T367 M376 F399	S289-Y308 CarbonylContact O-C 3.59Å; S289-Y308 VanDerWaalsContact O-CA 3.27Å; S289-Y308 WeakPolarHBondContact O-CA 3.24Å; Y308-I310 HydrophobicContact CD2-CD1 3.66Å; Y308-I310 HydrophobicContact CD2-CG1 3.93Å; Y308-I310 HydrophobicContact CE2-CD1 3.79Å; Y308-I310 HydrophobicContact CE2-CG1 4.49Å; Y308-W331 HydrophobicContact CE2-CZ2 4.43Å; Y308-Y363 HydrophobicContact CE2-CE2 4.43Å; Y308-T364 WeakPolarHBondContact O-CA 3.35Å; Y308-S365 PolarHBondContact N-O 3.09Å; Y308-S365 PolarHBondContact O-N 3.27Å; Y308-S365 PolarHBondContact OH-OG 3.05Å; Y308-T367 HydrophobicContact CD1-CG2 4.35Å; Y308-T367 HydrophobicContact CE1-CG2 4.29Å; Y308-M376 HydrophobicContact CD1-SD 4.15Å; Y308-M376 HydrophobicContact CE1-CE 3.91Å; Y308-M376 HydrophobicContact CE1-SD 3.93Å; Y308-F399 HydrophobicContact CG-CE2 4.43Å; Y308-F399 HydrophobicContact CG-CZ 4.37Å
309	R	94.6	Very high	95	Very high	31 Å²	31	45.4 Å²	45.4	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.6	173.7	-173.9	-172.1	69.2	174.2	-0.4	108.4	Y271 S289 Y363	Y271-R309 HydrophobicContact CD1-CB 4.05Å; Y271-R309 HydrophobicContact CD2-CB 4.28Å; Y271-R309 HydrophobicContact CE1-CB 4.03Å; Y271-R309 HydrophobicContact CE2-CB 4.27Å; Y271-R309 HydrophobicContact CG-CB 4.21Å; S289-R309 PolarHBondContact N-O 2.7Å; S289-R309 PolarHBondContact O-N 3.42Å; S289-R309 PolarHBondContact OG-NH2 2.82Å; R309-Y363 WeakPolarHBondContact CA-O 3.45Å
310	I	96.6	Very high	95.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.5	-179.5	-66.2	175.1	0	0	0	109.1	V286 V288 Y308 I312 W331 E362 Y363 Y380	V286-I310 HydrophobicContact CG1-CG2 3.89Å; V288-I310 HydrophobicContact CG1-CG1 4.16Å; V288-I310 HydrophobicContact CG2-CG1 4.15Å; Y308-I310 HydrophobicContact CD2-CD1 3.66Å; Y308-I310 HydrophobicContact CD2-CG1 3.93Å; Y308-I310 HydrophobicContact CE2-CD1 3.79Å; Y308-I310 HydrophobicContact CE2-CG1 4.49Å; I310-I312 HydrophobicContact CG2-CD1 4.49Å; I310-I312 HydrophobicContact CG2-CG1 3.92Å; I310-W331 HydrophobicContact CD1-CH2 3.5Å; I310-W331 HydrophobicContact CD1-CZ2 3.44Å; I310-W331 VanDerWaalsContact CD1-CZ2 3.44Å; I310-E362 VanDerWaalsContact O-CA 3.3Å; I310-E362 WeakPolarHBondContact O-CA 3.19Å; I310-Y363 HydrophobicContact CB-CD1 4.11Å; I310-Y363 HydrophobicContact CB-CE1 3.7Å; I310-Y363 HydrophobicContact CD1-CE1 4.25Å; I310-Y363 HydrophobicContact CD1-CE2 4.4Å; I310-Y363 WeakPolarHBondContact CD1-OH 3.28Å; I310-Y363 HydrophobicContact CG2-CD1 4.43Å; I310-Y363 HydrophobicContact CG2-CE1 3.84Å; I310-Y363 PolarHBondContact N-O 3.18Å; I310-Y363 PolarHBondContact O-N 2.65Å; I310-Y380 VanDerWaalsContact CD1-OH 3.26Å; I310-Y380 WeakPolarHBondContact CD1-OH 3.48Å; I310-Y380 HydrophobicContact CG2-CE2 4.39Å
311	R	96.7	Very high	95.6	Very high	65 Å²	65	51.1 Å²	51.1	25%	0.245	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.7	176.2	-175.6	171.9	-175.2	-79.8	-9	108.8	V286 S287 E313 V360 E362	V286-R311 CarbonylContact C-O 3.53Å; V286-R311 WeakPolarHBondContact CA-O 3.35Å; S287-R311 PolarHBondContact N-O 3.4Å; S287-R311 PolarHBondContact O-N 3.44Å; R311-E313 IonicContact CZ-OE1 2.81Å; R311-E313 IonicContact CZ-OE2 3.93Å; R311-E313 IonicContact NH1-OE1 3.17Å; R311-E313 PolarHBondContact NH1-OE1 3.03Å; R311-E313 IonicContact NH1-OE2 3.51Å; R311-E313 PolarHBondContact NH1-OE2 3.49Å; R311-E313 IonicContact NH2-OE1 3.94Å; R311-E313 IonicContact NH2-OE2 3.8Å; R311-E313 PolarHBondContact NH2-OE2 3.27Å; R311-V360 HydrophobicContact CG-CG1 3.73Å; R311-E362 HydrophobicContact CB-CG 4.05Å; R311-E362 WeakPolarHBondContact CD-OE1 3.41Å; R311-E362 HydrophobicContact CG-CG 3.8Å; R311-E362 IonicContact NE-OE1 2.78Å; R311-E362 PolarHBondContact NE-OE1 3.04Å
312	I	98.4	Very high	96	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.6	177.4	-49.4	176.9	0	0	0	107.1	I284 T285 V286 I310 L326 I355 V360 Y361 Y363 Y380 F382	I284-I312 HydrophobicContact CG2-CG2 3.82Å; T285-I312 WeakPolarHBondContact O-CA 3.49Å; V286-I312 HydrophobicContact CG2-CG1 4.45Å; V286-I312 HydrophobicContact CG2-CG2 4.44Å; I310-I312 HydrophobicContact CG2-CD1 4.49Å; I310-I312 HydrophobicContact CG2-CG1 3.92Å; I312-L326 HydrophobicContact CD1-CD1 3.97Å; I312-I355 HydrophobicContact CB-CD1 4.48Å; I312-I355 HydrophobicContact CG2-CD1 4.22Å; I312-I355 HydrophobicContact CG2-CG1 4.16Å; I312-V360 WeakPolarHBondContact O-CA 3.29Å; I312-Y361 HydrophobicContact CD1-CD1 4.44Å; I312-Y361 PolarHBondContact N-O 3.24Å; I312-Y361 PolarHBondContact O-N 3.21Å; I312-Y363 HydrophobicContact CD1-CE1 4.5Å; I312-Y380 HydrophobicContact CD1-CD2 3.94Å; I312-Y380 HydrophobicContact CD1-CE2 3.61Å; I312-Y380 HydrophobicContact CG1-CE2 4.14Å; I312-F382 HydrophobicContact CG2-CZ 4.31Å
313	E	98.3	Very high	96.3	Very high	56 Å²	56	49.3 Å²	49.3	26%	0.262	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	152.5	177.7	74.3	-179	150.9	0	0	112.4	I284 T285 R311 R359 V360	I284-E313 CarbonylContact C-O 3.45Å; I284-E313 VanDerWaalsContact CA-O 3.27Å; I284-E313 WeakPolarHBondContact CA-O 3.31Å; T285-E313 PolarHBondContact N-O 3.38Å; T285-E313 PolarHBondContact O-N 2.85Å; R311-E313 IonicContact CZ-OE1 2.81Å; R311-E313 IonicContact CZ-OE2 3.93Å; R311-E313 IonicContact NH1-OE1 3.17Å; R311-E313 PolarHBondContact NH1-OE1 3.03Å; R311-E313 IonicContact NH1-OE2 3.51Å; R311-E313 PolarHBondContact NH1-OE2 3.49Å; R311-E313 IonicContact NH2-OE1 3.94Å; R311-E313 IonicContact NH2-OE2 3.8Å; R311-E313 PolarHBondContact NH2-OE2 3.27Å; E313-R359 WeakPolarHBondContact CA-O 3.45Å; E313-V360 HydrophobicContact CB-CB 4.44Å; E313-V360 HydrophobicContact CB-CG1 4.44Å; E313-V360 HydrophobicContact CB-CG2 3.98Å
314	M	98.4	Very high	96.5	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.1	167.8	179.8	-178.8	-67.4	0	0	110	D283 I284 A318 K322 I355 S356 P357 G358 R359	D283-M314 HydrophobicContact CB-CG 4.09Å; D283-M314 VanDerWaalsContact O-CA 3.28Å; D283-M314 WeakPolarHBondContact O-CA 3.29Å; I284-M314 HydrophobicContact CD1-CE 3.99Å; I284-M314 HydrophobicContact CG1-CB 4.4Å; I284-M314 HydrophobicContact CG1-CE 3.8Å; M314-A318 HydrophobicContact CG-CB 3.71Å; M314-A318 HydrophobicContact SD-CB 3.92Å; M314-K322 HydrophobicContact CE-CB 4.44Å; M314-K322 VanDerWaalsContact CE-O 3.31Å; M314-K322 WeakPolarHBondContact CE-O 3.44Å; M314-K322 HydrophobicContact SD-CB 4.31Å; M314-I355 HydrophobicContact CB-CG2 3.54Å; M314-I355 HydrophobicContact CE-CG2 4.18Å; M314-S356 VanDerWaalsContact SD-C 3.53Å; M314-P357 HydrophobicContact SD-CG 3.97Å; M314-P357 VanDerWaalsContact SD-N 3.44Å; M314-G358 WeakPolarHBondContact O-CA 3.48Å; M314-G358 PolarHBondContact O-N 3.2Å; M314-R359 PolarHBondContact N-O 3.22Å
315	S	96.7	Very high	96.6	Very high	40 Å²	40	48 Å²	48	28%	0.28	24%	0.236	S	C	.	.			trans	-58.2	151.3	-179.7	74.8	0	0	0	0	111.8	D283 D317 A318 P357 G358	D283-S315 PolarHBondContact O-N 2.92Å; S315-D317 VanDerWaalsContact C-N 3.29Å; S315-D317 WeakPolarHBondContact CB-OD1 3.42Å; S315-D317 PolarHBondContact O-N 3.17Å; S315-D317 PolarHBondContact OG-OD1 2.9Å; S315-A318 WeakPolarHBondContact O-CB 3.39Å; S315-A318 PolarHBondContact O-N 3.44Å; S315-P357 WeakPolarHBondContact O-CA 3.41Å; S315-G358 PolarHBondContact O-N 3.15Å
316	K	96.5	Very high	96.7	Very high	186 Å²	186	46.6 Å²	46.6	81%	0.809	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-23.4	-177.7	-75.2	-177.2	178.1	178.3	0	113.4	A318	K316-A318 VanDerWaalsContact C-N 3.34Å
317	D	96.6	Very high	96.8	Very high	138 Å²	138	48.6 Å²	48.6	74%	0.738	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.1	179	60.1	-27.1	0	0	0	113.2	S315	S315-D317 VanDerWaalsContact C-N 3.29Å; S315-D317 WeakPolarHBondContact CB-OD1 3.42Å; S315-D317 PolarHBondContact O-N 3.17Å; S315-D317 PolarHBondContact OG-OD1 2.9Å
318	A	95.9	Very high	96.9	Very high	9 Å²	9	49.7 Å²	49.7	7%	0.074	25%	0.249	C	C	.	.	S	Bend	trans	-60.7	145.2	172.1	0	0	0	0	0	111.5	D283 M314 S315 K316 P357	D283-A318 HydrophobicContact CB-CB 3.79Å; M314-A318 HydrophobicContact CG-CB 3.71Å; M314-A318 HydrophobicContact SD-CB 3.92Å; S315-A318 WeakPolarHBondContact O-CB 3.39Å; S315-A318 PolarHBondContact O-N 3.44Å; K316-A318 VanDerWaalsContact C-N 3.34Å; A318-P357 HydrophobicContact CB-CB 4.16Å; A318-P357 HydrophobicContact CB-CG 3.98Å; A318-P357 WeakPolarHBondContact O-CB 3.41Å; A318-P357 WeakPolarHBondContact O-CG 3.45Å
319	L	96.1	Very high	97.1	Very high	111 Å²	111	51.3 Å²	51.3	58%	0.581	26%	0.255	S	S	*	.			trans	-71	142.4	177.7	-66	176.4	0	0	0	111	E321 K322	L319-E321 WeakPolarHBondContact CB-OE2 3.07Å; L319-E321 PolarHBondContact O-N 2.96Å; L319-E321 VanDerWaalsContact O-N 3.1Å; L319-K322 HydrophobicContact CB-CG 4.27Å; L319-K322 VanDerWaalsContact O-CB 3.23Å; L319-K322 WeakPolarHBondContact O-CB 3.29Å; L319-K322 PolarHBondContact O-N 3.36Å
320	P	95.6	Very high	97.3	Very high	76 Å²	76	51.6 Å²	51.6	49%	0.494	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-54.5	-31.2	178.8	-27.5	36	0	0	0	114.5	K322 A323 Y386	P320-K322 PolarHBondContact O-N 3.44Å; P320-A323 VanDerWaalsContact O-CB 3.29Å; P320-A323 WeakPolarHBondContact O-CB 3.12Å; P320-A323 PolarHBondContact O-N 2.87Å; P320-A323 VanDerWaalsContact O-N 3.08Å; P320-Y386 WeakPolarHBondContact O-CE2 3.08Å
321	E	94.9	Very high	97.3	Very high	98 Å²	98	51.8 Å²	51.8	46%	0.458	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-67	-15.2	178.3	-58.8	77.1	-169.8	0	0	113	L319 A323 Y386	L319-E321 WeakPolarHBondContact CB-OE2 3.07Å; L319-E321 PolarHBondContact O-N 2.96Å; L319-E321 VanDerWaalsContact O-N 3.1Å; E321-A323 PolarHBondContact O-N 2.91Å; E321-Y386 HydrophobicContact CB-CD2 4.49Å
322	K	95.9	Very high	97.4	Very high	86 Å²	86	52.4 Å²	52.4	37%	0.374	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-78.6	-5	173.5	-63.6	-70.8	-170.1	162.1	0	113.2	M314 L319 P320 C324 F384	M314-K322 HydrophobicContact CE-CB 4.44Å; M314-K322 VanDerWaalsContact CE-O 3.31Å; M314-K322 WeakPolarHBondContact CE-O 3.44Å; M314-K322 HydrophobicContact SD-CB 4.31Å; L319-K322 HydrophobicContact CB-CG 4.27Å; L319-K322 VanDerWaalsContact O-CB 3.23Å; L319-K322 WeakPolarHBondContact O-CB 3.29Å; L319-K322 PolarHBondContact O-N 3.36Å; P320-K322 PolarHBondContact O-N 3.44Å; K322-C324 PolarHBondContact O-N 3.47Å; K322-F384 HydrophobicContact CB-CE1 4.37Å; K322-F384 HydrophobicContact CD-CE1 3.88Å; K322-F384 HydrophobicContact CD-CZ 4.27Å; K322-F384 WeakPolarHBondContact O-CE1 3.05Å
323	A	97.5	Very high	97.4	Very high	8 Å²	8	53.1 Å²	53.1	7%	0.066	26%	0.263	C	S	.	.			trans	-52.7	128.9	174.7	0	0	0	0	0	110.7	P320 E321 I355 L385 Y386	P320-A323 VanDerWaalsContact O-CB 3.29Å; P320-A323 WeakPolarHBondContact O-CB 3.12Å; P320-A323 PolarHBondContact O-N 2.87Å; P320-A323 VanDerWaalsContact O-N 3.08Å; E321-A323 PolarHBondContact O-N 2.91Å; A323-I355 WeakPolarHBondContact CA-O 3.42Å; A323-L385 HydrophobicContact CB-CD1 4.15Å; A323-L385 PolarHBondContact O-N 2.88Å; A323-Y386 HydrophobicContact CB-CE2 4.21Å
324	C	98	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159.7	-171.5	57	0	0	0	0	110.6	I284 K322 I354 I355 F382 H383 F384 F392	I284-C324 WeakPolarHBondContact CD1-SG 3.15Å; K322-C324 PolarHBondContact O-N 3.47Å; C324-I354 CarbonylContact O-C 3.25Å; C324-I354 WeakPolarHBondContact O-CA 3.46Å; C324-I355 PolarHBondContact N-O 2.79Å; C324-I355 PolarHBondContact O-N 2.87Å; C324-F382 HydrophobicContact CB-CB 4.39Å; C324-F382 HydrophobicContact CB-CD1 3.95Å; C324-F382 VanDerWaalsContact SG-CD1 3.55Å; C324-H383 CarbonylContact C-O 3.55Å; C324-H383 WeakPolarHBondContact CA-O 3.38Å; C324-H383 WeakPolarHBondContact CB-O 3.47Å; C324-F384 HydrophobicContact CB-CD1 4.19Å; C324-F392 HydrophobicContact CB-CE1 4.09Å; C324-F392 HydrophobicContact CB-CZ 4.03Å
325	Q	98.4	Very high	97.4	Very high	52 Å²	52	51.4 Å²	51.4	24%	0.243	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.2	177.4	-177.7	171.8	22.3	0	0	109.9	F352 P353 I354 F382 H383 L385	Q325-F352 HydrophobicContact CG-CB 4.41Å; Q325-F352 PolarHBondContact NE2-O 2.79Å; Q325-P353 WeakPolarHBondContact CA-O 3.04Å; Q325-I354 HydrophobicContact CB-CG1 4.12Å; Q325-I354 HydrophobicContact CG-CG1 4.1Å; Q325-F382 VanDerWaalsContact O-CA 3.28Å; Q325-F382 WeakPolarHBondContact O-CA 3.35Å; Q325-F382 VanDerWaalsContact O-CD1 3.29Å; Q325-F382 WeakPolarHBondContact O-CD1 3.44Å; Q325-H383 PolarHBondContact N-O 3.23Å; Q325-H383 PolarHBondContact O-N 3.21Å; Q325-H383 VanDerWaalsContact O-N 3.09Å; Q325-L385 HydrophobicContact CB-CD2 3.91Å
326	L	98.5	Very high	97.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125	174	-172.8	158.7	0	0	0	109	I312 V348 F352 P353 Y380 F382	I312-L326 HydrophobicContact CD1-CD1 3.97Å; L326-V348 HydrophobicContact CD1-CG1 3.76Å; L326-V348 HydrophobicContact CD1-CG2 4Å; L326-V348 HydrophobicContact CD2-CG1 4.08Å; L326-V348 HydrophobicContact CD2-CG2 4.42Å; L326-F352 WeakPolarHBondContact O-CD1 3.45Å; L326-P353 HydrophobicContact CB-CG 3.98Å; L326-P353 HydrophobicContact CD1-CG 4.23Å; L326-P353 PolarHBondContact N-O 3Å; L326-Y380 HydrophobicContact CD1-CD1 3.74Å; L326-Y380 HydrophobicContact CD1-CD2 4.49Å; L326-Y380 HydrophobicContact CD1-CE1 4.26Å; L326-Y380 HydrophobicContact CD1-CG 3.89Å; L326-Y380 HydrophobicContact CG-CD1 4.41Å; L326-F382 HydrophobicContact CB-CD1 4.17Å; L326-F382 HydrophobicContact CB-CE1 3.62Å; L326-F382 HydrophobicContact CB-CE2 4.25Å; L326-F382 HydrophobicContact CB-CZ 3.67Å; L326-F382 HydrophobicContact CD1-CE2 4.23Å; L326-F382 HydrophobicContact CD1-CZ 3.95Å; L326-F382 HydrophobicContact CG-CE1 4.45Å; L326-F382 HydrophobicContact CG-CE2 4.22Å; L326-F382 HydrophobicContact CG-CZ 4.04Å
327	D	97.8	Very high	97.3	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.241	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-47.8	178.4	-67.2	-39.7	0	0	0	112.4	G347 F352 T381 H383	D327-G347 PolarHBondContact O-N 3.13Å; D327-F352 VanDerWaalsContact O-CE1 3.32Å; D327-F352 WeakPolarHBondContact O-CE1 3.41Å; D327-T381 PolarHBondContact N-O 3.42Å; D327-H383 IonicContact OD1-CE1 3.59Å; D327-H383 PolarHBondContact OD1-CE1 3Å; D327-H383 IonicContact OD1-ND1 2.65Å; D327-H383 PolarHBondContact OD1-ND1 3.07Å; D327-H383 IonicContact OD2-CE1 3.69Å; D327-H383 IonicContact OD2-CG 2.85Å; D327-H383 PolarHBondContact OD2-N 3.35Å; D327-H383 IonicContact OD2-ND1 3.86Å; D327-H383 PolarHBondContact OD2-ND1 3.26Å
328	S	98.4	Very high	97.3	Very high	24 Å²	24	46.6 Å²	46.6	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.3	-174.2	67.5	0	0	0	0	112.2	G345 Y380 T381	S328-G345 WeakPolarHBondContact CA-O 3.23Å; S328-G345 WeakPolarHBondContact CB-O 3.46Å; S328-Y380 WeakPolarHBondContact O-CA 3.27Å; S328-T381 PolarHBondContact N-O 3.47Å; S328-T381 PolarHBondContact O-N 3.16Å; S328-T381 VanDerWaalsContact OG-CB 3.24Å; S328-T381 WeakPolarHBondContact OG-CB 3.4Å; S328-T381 PolarHBondContact OG-OG1 3.4Å; S328-T381 VanDerWaalsContact OG-OG1 3.05Å
329	R	98.4	Very high	97.3	Very high	48 Å²	48	50.6 Å²	50.6	18%	0.181	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.9	175.3	67.9	-169.1	-177.6	-76.3	-5	109.9	Q344 G345 P346 G347 Y380	R329-Q344 WeakPolarHBondContact O-CA 3.45Å; R329-G345 PolarHBondContact N-O 3.04Å; R329-G345 PolarHBondContact O-N 3.3Å; R329-G345 VanDerWaalsContact O-N 3.12Å; R329-P346 PolarHBondContact NH1-O 3.31Å; R329-G347 WeakPolarHBondContact CD-O 3.49Å; R329-G347 PolarHBondContact NH1-O 3.19Å; R329-Y380 HydrophobicContact CB-CD1 3.76Å; R329-Y380 HydrophobicContact CB-CE1 3.85Å
330	Y	98.6	Very high	97.4	Very high	38 Å²	38	48.5 Å²	48.5	15%	0.149	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.1	164.1	165.7	-93.1	0	0	0	108	R332 E342 V343 G378 Y379	Y330-R332 HydrophobicContact CE1-CB 4.13Å; Y330-E342 HydrophobicContact CE2-CB 4.19Å; Y330-E342 HydrophobicContact CE2-CG 4.25Å; Y330-E342 PolarHBondContact OH-OE1 3.42Å; Y330-V343 CarbonylContact C-O 3.51Å; Y330-V343 WeakPolarHBondContact CA-O 3.23Å; Y330-G378 VanDerWaalsContact O-CA 3.26Å; Y330-G378 WeakPolarHBondContact O-CA 3.27Å; Y330-Y379 AromaticContact CD1-CD1 3.75Å; Y330-Y379 HydrophobicContact CD1-CD1 3.75Å; Y330-Y379 AromaticContact CD1-CE1 3.34Å; Y330-Y379 HydrophobicContact CD1-CE1 3.34Å; Y330-Y379 AromaticContact CD1-CZ 3.8Å; Y330-Y379 HydrophobicContact CE1-CD1 4.49Å; Y330-Y379 AromaticContact CE1-CE1 3.97Å; Y330-Y379 HydrophobicContact CE1-CE1 3.97Å; Y330-Y379 HydrophobicContact CG-CD1 4.49Å; Y330-Y379 AromaticContact CG-CE1 3.88Å; Y330-Y379 HydrophobicContact CG-CE1 3.88Å; Y330-Y379 HydrophobicContact CG-CE2 4.41Å; Y330-Y379 AromaticContact CG-CZ 3.82Å; Y330-Y379 PolarHBondContact N-O 3.28Å; Y330-Y379 PolarHBondContact O-N 2.94Å
331	W	98.5	Very high	97.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.3	175.2	-72.1	108.5	0	0	0	109.8	Y308 I310 I333 E342 V343 M376 I396 F399	Y308-W331 HydrophobicContact CE2-CZ2 4.43Å; I310-W331 HydrophobicContact CD1-CH2 3.5Å; I310-W331 HydrophobicContact CD1-CZ2 3.44Å; I310-W331 VanDerWaalsContact CD1-CZ2 3.44Å; W331-I333 HydrophobicContact CB-CG1 4.27Å; W331-E342 CarbonylContact O-C 3.5Å; W331-E342 VanDerWaalsContact O-CA 3.31Å; W331-E342 WeakPolarHBondContact O-CA 3.26Å; W331-V343 HydrophobicContact CB-CB 4.21Å; W331-V343 PolarHBondContact N-O 3.4Å; W331-V343 PolarHBondContact O-N 2.84Å; W331-M376 HydrophobicContact CD2-CE 3.87Å; W331-M376 HydrophobicContact CE3-CB 4.14Å; W331-M376 HydrophobicContact CE3-CE 3.77Å; W331-M376 HydrophobicContact CG-CE 4.27Å; W331-M376 HydrophobicContact CZ3-CB 4.09Å; W331-M376 HydrophobicContact CZ3-CE 4.13Å; W331-I396 HydrophobicContact CD2-CD1 4.39Å; W331-I396 HydrophobicContact CE3-CD1 4.28Å; W331-I396 HydrophobicContact CH2-CB 4.43Å; W331-I396 HydrophobicContact CH2-CD1 3.62Å; W331-I396 HydrophobicContact CH2-CG1 4.49Å; W331-I396 HydrophobicContact CH2-CG2 3.57Å; W331-I396 HydrophobicContact CZ2-CD1 3.67Å; W331-I396 HydrophobicContact CZ3-CB 4.37Å; W331-I396 HydrophobicContact CZ3-CD1 3.91Å; W331-I396 HydrophobicContact CZ3-CG2 3.68Å; W331-F399 AromaticContact CH2-CE1 3.72Å; W331-F399 HydrophobicContact CH2-CE1 3.72Å; W331-F399 AromaticContact CH2-CZ 3.96Å; W331-F399 HydrophobicContact CH2-CZ 3.96Å; W331-F399 AromaticContact CZ3-CE1 3.54Å; W331-F399 HydrophobicContact CZ3-CE1 3.54Å; W331-F399 AromaticContact CZ3-CZ 3.87Å; W331-F399 HydrophobicContact CZ3-CZ 3.87Å
332	R	98.4	Very high	97.6	Very high	77 Å²	77	51 Å²	51	29%	0.291	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.8	165.9	-175.4	177.9	178.5	-115.2	-3.8	107.4	Y330 V340 M376 E377	Y330-R332 HydrophobicContact CE1-CB 4.13Å; R332-V340 HydrophobicContact CG-CG1 3.72Å; R332-M376 WeakPolarHBondContact O-CA 3.23Å; R332-E377 HydrophobicContact CB-CG 4.13Å; R332-E377 IonicContact CZ-OE1 3.89Å; R332-E377 PolarHBondContact N-O 2.91Å; R332-E377 IonicContact NH1-OE1 2.78Å; R332-E377 PolarHBondContact NH1-OE1 3.3Å; R332-E377 PolarHBondContact O-N 3.2Å
333	I	98.4	Very high	97.6	Very high	16 Å²	16	48 Å²	48	8%	0.082	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.7	-175.5	-50.8	-178.5	0	0	0	106.7	W331 V340 E341 V343 F369 M376	W331-I333 HydrophobicContact CB-CG1 4.27Å; I333-V340 VanDerWaalsContact O-CA 3.31Å; I333-V340 WeakPolarHBondContact O-CA 3.49Å; I333-E341 HydrophobicContact CB-CB 4.35Å; I333-E341 PolarHBondContact N-O 3.06Å; I333-E341 PolarHBondContact O-N 3.3Å; I333-V343 HydrophobicContact CD1-CG2 4.04Å; I333-F369 HydrophobicContact CG2-CE1 3.54Å; I333-F369 HydrophobicContact CG2-CZ 4.01Å; I333-M376 HydrophobicContact CB-CG 4.32Å; I333-M376 HydrophobicContact CD1-CE 3.84Å; I333-M376 HydrophobicContact CG1-CE 3.9Å; I333-M376 HydrophobicContact CG1-CG 4.03Å; I333-M376 HydrophobicContact CG2-CG 4.01Å
334	T	98.3	Very high	97.6	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.5	-178.6	-51.2	0	0	0	0	110.4	D339 V340 G374 Y375	T334-D339 WeakPolarHBondContact CA-O 3.43Å; T334-V340 HydrophobicContact CG2-CG2 4.07Å; T334-G374 CarbonylContact O-C 3.51Å; T334-G374 VanDerWaalsContact O-CA 3.23Å; T334-G374 WeakPolarHBondContact O-CA 3.23Å; T334-Y375 WeakPolarHBondContact CB-OH 3.41Å; T334-Y375 HydrophobicContact CG2-CE1 3.88Å; T334-Y375 HydrophobicContact CG2-CE2 4.4Å; T334-Y375 WeakPolarHBondContact CG2-OH 3.45Å; T334-Y375 PolarHBondContact N-O 3.43Å; T334-Y375 PolarHBondContact O-N 3.4Å; T334-Y375 PolarHBondContact OG1-OH 3.16Å
335	N	97.4	Very high	97.4	Very high	19 Å²	19	55 Å²	55	10%	0.102	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	175.5	176.4	79.3	7.5	0	0	0	111.1	K337 G338 D339 F369 T371	N335-K337 PolarHBondContact O-N 3.19Å; N335-K337 WeakPolarHBondContact OD1-CA 3.1Å; N335-K337 WeakPolarHBondContact OD1-CB 3.2Å; N335-K337 PolarHBondContact OD1-N 3.06Å; N335-G338 PolarHBondContact O-N 2.95Å; N335-G338 PolarHBondContact OD1-N 3.2Å; N335-D339 PolarHBondContact N-O 2.81Å; N335-D339 VanDerWaalsContact N-O 3.09Å; N335-D339 WeakPolarHBondContact ND2-CB 3.46Å; N335-D339 PolarHBondContact ND2-OD2 2.62Å; N335-D339 PolarHBondContact OD1-N 3.19Å; N335-D339 PolarHBondContact OD1-OD2 3.29Å; N335-F369 HydrophobicContact CB-CD1 4.05Å; N335-T371 HydrophobicContact CB-CG2 4.42Å; N335-T371 WeakPolarHBondContact CB-OG1 3.14Å
336	A	96.4	Very high	97.4	Very high	62 Å²	62	56.9 Å²	56.9	51%	0.512	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.5	-178.6	0	0	0	0	0	114.4	G338 T371 S373	A336-G338 VanDerWaalsContact C-N 3.32Å; A336-T371 HydrophobicContact CB-CG2 4.1Å; A336-T371 PolarHBondContact N-OG1 3.02Å; A336-S373 WeakPolarHBondContact CB-O 3.32Å; A336-S373 PolarHBondContact N-O 3.48Å
337	K	96.1	Very high	97.3	Very high	153 Å²	153	56.9 Å²	56.9	67%	0.665	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11.2	175.1	-69.4	170.3	-178.9	175.9	0	112.3	N335 T371	N335-K337 PolarHBondContact O-N 3.19Å; N335-K337 WeakPolarHBondContact OD1-CA 3.1Å; N335-K337 WeakPolarHBondContact OD1-CB 3.2Å; N335-K337 PolarHBondContact OD1-N 3.06Å; K337-T371 HydrophobicContact CD-CG2 3.97Å; K337-T371 HydrophobicContact CG-CG2 3.84Å
338	G	94.9	Very high	97.2	Very high	47 Å²	47	54.8 Å²	54.8	49%	0.485	29%	0.294	S	S	.	.			trans	91.8	5.7	-178.1	0	0	0	0	0	114	N335 A336	N335-G338 PolarHBondContact O-N 2.95Å; N335-G338 PolarHBondContact OD1-N 3.2Å; A336-G338 VanDerWaalsContact C-N 3.32Å
339	D	96.3	Very high	96.9	Very high	94 Å²	94	57.2 Å²	57.2	50%	0.503	31%	0.308	S	S	.	.			trans	-68.6	136	173	-48.6	-49.9	0	0	0	109	T334 N335	T334-D339 WeakPolarHBondContact CA-O 3.43Å; N335-D339 PolarHBondContact N-O 2.81Å; N335-D339 VanDerWaalsContact N-O 3.09Å; N335-D339 WeakPolarHBondContact ND2-CB 3.46Å; N335-D339 PolarHBondContact ND2-OD2 2.62Å; N335-D339 PolarHBondContact OD1-N 3.19Å; N335-D339 PolarHBondContact OD1-OD2 3.29Å
340	V	97.6	Very high	96.7	Very high	67 Å²	67	58.3 Å²	58.3	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.2	-174.7	-178.5	0	0	0	0	109.9	R332 I333 T334 E342	R332-V340 HydrophobicContact CG-CG1 3.72Å; I333-V340 VanDerWaalsContact O-CA 3.31Å; I333-V340 WeakPolarHBondContact O-CA 3.49Å; T334-V340 HydrophobicContact CG2-CG2 4.07Å; V340-E342 HydrophobicContact CG1-CG 4.33Å
341	E	97.5	Very high	96.5	Very high	101 Å²	101	61.4 Å²	61.4	47%	0.472	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.9	169.1	-172	-172.9	154.5	0	0	109.2	I333 V343	I333-E341 HydrophobicContact CB-CB 4.35Å; I333-E341 PolarHBondContact N-O 3.06Å; I333-E341 PolarHBondContact O-N 3.3Å; E341-V343 HydrophobicContact CG-CG2 4.33Å
342	E	97.4	Very high	96.5	Very high	124 Å²	124	66 Å²	66	58%	0.579	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.6	176.8	-64	-167.8	142.7	0	0	110	Y330 W331 V340	Y330-E342 HydrophobicContact CE2-CB 4.19Å; Y330-E342 HydrophobicContact CE2-CG 4.25Å; Y330-E342 PolarHBondContact OH-OE1 3.42Å; W331-E342 CarbonylContact O-C 3.5Å; W331-E342 VanDerWaalsContact O-CA 3.31Å; W331-E342 WeakPolarHBondContact O-CA 3.26Å; V340-E342 HydrophobicContact CG1-CG 4.33Å
343	V	96.8	Very high	96.5	Very high	23 Å²	23	62.7 Å²	62.7	14%	0.139	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.5	179.7	-178.3	0	0	0	0	108.9	Y330 W331 I333 E341	Y330-V343 CarbonylContact C-O 3.51Å; Y330-V343 WeakPolarHBondContact CA-O 3.23Å; W331-V343 HydrophobicContact CB-CB 4.21Å; W331-V343 PolarHBondContact N-O 3.4Å; W331-V343 PolarHBondContact O-N 2.84Å; I333-V343 HydrophobicContact CD1-CG2 4.04Å; E341-V343 HydrophobicContact CG-CG2 4.33Å
344	Q	96.9	Very high	96.5	Very high	143 Å²	143	64.8 Å²	64.8	67%	0.668	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.2	175.6	-167.2	175.2	6.9	0	0	110.3	R329	R329-Q344 WeakPolarHBondContact O-CA 3.45Å
345	G	95.5	Very high	96.4	Very high	13 Å²	13	64.5 Å²	64.5	13%	0.134	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	164.9	-178.9	0	0	0	0	0	114.6	S328 R329	S328-G345 WeakPolarHBondContact CA-O 3.23Å; S328-G345 WeakPolarHBondContact CB-O 3.46Å; R329-G345 PolarHBondContact N-O 3.04Å; R329-G345 PolarHBondContact O-N 3.3Å; R329-G345 VanDerWaalsContact O-N 3.12Å
346	P	97.6	Very high	96.4	Very high	92 Å²	92	65.5 Å²	65.5	60%	0.597	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	142.5	179.9	31.8	-35.6	0	0	0	111.4	R329 F352	R329-P346 PolarHBondContact NH1-O 3.31Å; P346-F352 HydrophobicContact CB-CE1 3.96Å; P346-F352 HydrophobicContact CB-CZ 3.9Å
347	G	96.5	Very high	96.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	61.2	-163	175.7	0	0	0	0	0	114.6	D327 R329 E351	D327-G347 PolarHBondContact O-N 3.13Å; R329-G347 WeakPolarHBondContact CD-O 3.49Å; R329-G347 PolarHBondContact NH1-O 3.19Å; G347-E351 CarbonylContact C-O 3.55Å; G347-E351 WeakPolarHBondContact CA-O 3.46Å
348	V	95.8	Very high	96.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-134.9	129	170	-72.1	0	0	0	0	108	L326 G350 E351 P353 Y361 Y363 Y380	L326-V348 HydrophobicContact CD1-CG1 3.76Å; L326-V348 HydrophobicContact CD1-CG2 4Å; L326-V348 HydrophobicContact CD2-CG1 4.08Å; L326-V348 HydrophobicContact CD2-CG2 4.42Å; V348-G350 PolarHBondContact O-N 2.68Å; V348-E351 PolarHBondContact N-O 3.25Å; V348-E351 WeakPolarHBondContact O-CA 3.04Å; V348-E351 PolarHBondContact O-N 3.34Å; V348-P353 HydrophobicContact CG2-CG 4.05Å; V348-Y361 HydrophobicContact CG2-CE1 3.69Å; V348-Y363 HydrophobicContact CB-CD1 4.25Å; V348-Y363 HydrophobicContact CB-CE1 3.87Å; V348-Y363 HydrophobicContact CB-CE2 4.34Å; V348-Y363 HydrophobicContact CG1-CE1 3.86Å; V348-Y363 HydrophobicContact CG2-CD1 4.19Å; V348-Y363 HydrophobicContact CG2-CE1 4.15Å; V348-Y380 HydrophobicContact CG1-CD1 4.12Å; V348-Y380 HydrophobicContact CG1-CE1 3.57Å
349	V	92	Very high	96.7	Very high	76 Å²	76	61.7 Å²	61.7	46%	0.461	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	32.8	-177.9	-61.9	0	0	0	0	114.9	Y363	V349-Y363 HydrophobicContact CG1-CD2 3.57Å; V349-Y363 HydrophobicContact CG1-CE2 4.1Å; V349-Y363 HydrophobicContact CG1-CG 4.4Å; V349-Y363 HydrophobicContact CG2-CD2 4.25Å; V349-Y363 HydrophobicContact CG2-CG 4.28Å
350	G	92.9	Very high	96.7	Very high	70 Å²	70	59.9 Å²	59.9	72%	0.722	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	8.6	-177.9	0	0	0	0	0	115.2	V348	V348-G350 PolarHBondContact O-N 2.68Å
351	E	95.9	Very high	96.7	Very high	104 Å²	104	57.9 Å²	57.9	49%	0.486	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-117	155.6	179.8	-59	-170.4	168	0	0	112.6	G347 V348 P353 Y361	G347-E351 CarbonylContact C-O 3.55Å; G347-E351 WeakPolarHBondContact CA-O 3.46Å; V348-E351 PolarHBondContact N-O 3.25Å; V348-E351 WeakPolarHBondContact O-CA 3.04Å; V348-E351 PolarHBondContact O-N 3.34Å; E351-P353 WeakPolarHBondContact O-CD 3.41Å; E351-Y361 VanDerWaalsContact OE2-CE2 3.3Å; E351-Y361 WeakPolarHBondContact OE2-CE2 3.44Å; E351-Y361 PolarHBondContact OE2-OH 3.13Å
352	F	98	Very high	96.6	Very high	99 Å²	99	57.2 Å²	57.2	43%	0.434	32%	0.319	S	S	.	.			trans	-124.3	73	177.5	-60.7	-95.9	0	0	0	109.1	Q325 L326 D327 P346	Q325-F352 HydrophobicContact CG-CB 4.41Å; Q325-F352 PolarHBondContact NE2-O 2.79Å; L326-F352 WeakPolarHBondContact O-CD1 3.45Å; D327-F352 VanDerWaalsContact O-CE1 3.32Å; D327-F352 WeakPolarHBondContact O-CE1 3.41Å; P346-F352 HydrophobicContact CB-CE1 3.96Å; P346-F352 HydrophobicContact CB-CZ 3.9Å
353	P	97.7	Very high	96.4	Very high	8 Å²	8	52 Å²	52	5%	0.052	30%	0.295	C	S	.	.			trans	-65.5	140.6	-170.8	27	-37.1	0	0	0	112.5	Q325 L326 V348 E351 I355 Y361	Q325-P353 WeakPolarHBondContact CA-O 3.04Å; L326-P353 HydrophobicContact CB-CG 3.98Å; L326-P353 HydrophobicContact CD1-CG 4.23Å; L326-P353 PolarHBondContact N-O 3Å; V348-P353 HydrophobicContact CG2-CG 4.05Å; E351-P353 WeakPolarHBondContact O-CD 3.41Å; P353-I355 HydrophobicContact CB-CD1 4.48Å; P353-Y361 HydrophobicContact CB-CD1 3.99Å; P353-Y361 HydrophobicContact CB-CD2 3.51Å; P353-Y361 HydrophobicContact CB-CE1 4.14Å; P353-Y361 HydrophobicContact CB-CE2 3.67Å; P353-Y361 HydrophobicContact CB-CG 3.67Å; P353-Y361 HydrophobicContact CG-CD1 3.76Å; P353-Y361 HydrophobicContact CG-CD2 4.17Å; P353-Y361 HydrophobicContact CG-CE1 3.72Å; P353-Y361 HydrophobicContact CG-CE2 4.13Å; P353-Y361 HydrophobicContact CG-CG 3.98Å
354	I	98.1	Very high	96.2	Very high	60 Å²	60	53.1 Å²	53.1	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.2	168.1	-66.9	169.4	0	0	0	108.4	C324 Q325 R359 L385	C324-I354 CarbonylContact O-C 3.25Å; C324-I354 WeakPolarHBondContact O-CA 3.46Å; Q325-I354 HydrophobicContact CB-CG1 4.12Å; Q325-I354 HydrophobicContact CG-CG1 4.1Å; I354-R359 WeakPolarHBondContact O-CD 3.48Å; I354-R359 PolarHBondContact O-NE 2.65Å; I354-R359 VanDerWaalsContact O-NE 3.08Å; I354-R359 PolarHBondContact O-NH1 3.44Å; I354-L385 HydrophobicContact CD1-CD1 4.2Å; I354-L385 HydrophobicContact CG1-CD1 4.31Å; I354-L385 HydrophobicContact CG2-CD1 3.62Å
355	I	98	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.1	174.5	-50.9	-60.4	0	0	0	108.6	I312 M314 A323 C324 P353 Y361 F382	I312-I355 HydrophobicContact CB-CD1 4.48Å; I312-I355 HydrophobicContact CG2-CD1 4.22Å; I312-I355 HydrophobicContact CG2-CG1 4.16Å; M314-I355 HydrophobicContact CB-CG2 3.54Å; M314-I355 HydrophobicContact CE-CG2 4.18Å; A323-I355 WeakPolarHBondContact CA-O 3.42Å; C324-I355 PolarHBondContact N-O 2.79Å; C324-I355 PolarHBondContact O-N 2.87Å; P353-I355 HydrophobicContact CB-CD1 4.48Å; I355-Y361 HydrophobicContact CD1-CG 4.47Å; I355-F382 HydrophobicContact CB-CE1 4.44Å; I355-F382 HydrophobicContact CG1-CE1 3.82Å; I355-F382 HydrophobicContact CG1-CZ 4.18Å
356	S	97.7	Very high	96.1	Very high	39 Å²	39	49.7 Å²	49.7	27%	0.273	29%	0.29	S	S	.	.			trans	-128.4	165.4	179.9	61.3	0	0	0	0	109.6	M314 G358 R359	M314-S356 VanDerWaalsContact SD-C 3.53Å; S356-G358 PolarHBondContact O-N 3.29Å; S356-R359 WeakPolarHBondContact O-CB 3.31Å; S356-R359 PolarHBondContact O-N 3.19Å
357	P	98.1	Very high	96	Very high	40 Å²	40	46.1 Å²	46.1	26%	0.26	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	126.6	-177.8	-28.8	35.4	0	0	0	112.8	M314 S315 A318 R359	M314-P357 HydrophobicContact SD-CG 3.97Å; M314-P357 VanDerWaalsContact SD-N 3.44Å; S315-P357 WeakPolarHBondContact O-CA 3.41Å; A318-P357 HydrophobicContact CB-CB 4.16Å; A318-P357 HydrophobicContact CB-CG 3.98Å; A318-P357 WeakPolarHBondContact O-CB 3.41Å; A318-P357 WeakPolarHBondContact O-CG 3.45Å; P357-R359 PolarHBondContact O-N 3.16Å
358	G	96.4	Very high	96	Very high	32 Å²	32	49.1 Å²	49.1	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-1.6	-177.6	0	0	0	0	0	116.4	M314 S315 S356	M314-G358 WeakPolarHBondContact O-CA 3.48Å; M314-G358 PolarHBondContact O-N 3.2Å; S315-G358 PolarHBondContact O-N 3.15Å; S356-G358 PolarHBondContact O-N 3.29Å
359	R	97.1	Very high	96.1	Very high	110 Å²	110	49.6 Å²	49.6	42%	0.415	29%	0.287	S	S	.	.			trans	-81.6	140.3	176.7	-173.8	169.6	177.5	174	0.2	110.4	E313 M314 I354 S356 P357	E313-R359 WeakPolarHBondContact CA-O 3.45Å; M314-R359 PolarHBondContact N-O 3.22Å; I354-R359 WeakPolarHBondContact O-CD 3.48Å; I354-R359 PolarHBondContact O-NE 2.65Å; I354-R359 VanDerWaalsContact O-NE 3.08Å; I354-R359 PolarHBondContact O-NH1 3.44Å; S356-R359 WeakPolarHBondContact O-CB 3.31Å; S356-R359 PolarHBondContact O-N 3.19Å; P357-R359 PolarHBondContact O-N 3.16Å
360	V	97.3	Very high	96.2	Very high	57 Å²	57	48.8 Å²	48.8	35%	0.345	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.7	174.8	-174.7	0	0	0	0	107.7	R311 I312 E313 E362	R311-V360 HydrophobicContact CG-CG1 3.73Å; I312-V360 WeakPolarHBondContact O-CA 3.29Å; E313-V360 HydrophobicContact CB-CB 4.44Å; E313-V360 HydrophobicContact CB-CG1 4.44Å; E313-V360 HydrophobicContact CB-CG2 3.98Å; V360-E362 HydrophobicContact CG1-CG 4.04Å
361	Y	97.4	Very high	96.4	Very high	24 Å²	24	46 Å²	46	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.4	168.7	-179	-97.7	0	0	0	108.8	I312 V348 E351 P353 I355 Y363	I312-Y361 HydrophobicContact CD1-CD1 4.44Å; I312-Y361 PolarHBondContact N-O 3.24Å; I312-Y361 PolarHBondContact O-N 3.21Å; V348-Y361 HydrophobicContact CG2-CE1 3.69Å; E351-Y361 VanDerWaalsContact OE2-CE2 3.3Å; E351-Y361 WeakPolarHBondContact OE2-CE2 3.44Å; E351-Y361 PolarHBondContact OE2-OH 3.13Å; P353-Y361 HydrophobicContact CB-CD1 3.99Å; P353-Y361 HydrophobicContact CB-CD2 3.51Å; P353-Y361 HydrophobicContact CB-CE1 4.14Å; P353-Y361 HydrophobicContact CB-CE2 3.67Å; P353-Y361 HydrophobicContact CB-CG 3.67Å; P353-Y361 HydrophobicContact CG-CD1 3.76Å; P353-Y361 HydrophobicContact CG-CD2 4.17Å; P353-Y361 HydrophobicContact CG-CE1 3.72Å; P353-Y361 HydrophobicContact CG-CE2 4.13Å; P353-Y361 HydrophobicContact CG-CG 3.98Å; I355-Y361 HydrophobicContact CD1-CG 4.47Å; Y361-Y363 HydrophobicContact CD1-CD1 4.27Å; Y361-Y363 AromaticContact CE1-CD1 3.76Å; Y361-Y363 HydrophobicContact CE1-CD1 3.76Å; Y361-Y363 HydrophobicContact CE1-CG 4.26Å
362	E	94.7	Very high	96.4	Very high	88 Å²	88	43.5 Å²	43.5	41%	0.411	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.9	179.8	-69.4	179.8	163.8	0	0	109.5	I310 R311 V360	I310-E362 VanDerWaalsContact O-CA 3.3Å; I310-E362 WeakPolarHBondContact O-CA 3.19Å; R311-E362 HydrophobicContact CB-CG 4.05Å; R311-E362 WeakPolarHBondContact CD-OE1 3.41Å; R311-E362 HydrophobicContact CG-CG 3.8Å; R311-E362 IonicContact NE-OE1 2.78Å; R311-E362 PolarHBondContact NE-OE1 3.04Å; V360-E362 HydrophobicContact CG1-CG 4.04Å
363	Y	93.9	Very high	96.4	Very high	15 Å²	15	40.8 Å²	40.8	6%	0.059	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.9	171.2	78.5	-88.1	0	0	0	110.4	Y308 R309 I310 I312 V348 V349 Y361 Y380	Y308-Y363 HydrophobicContact CE2-CE2 4.43Å; R309-Y363 WeakPolarHBondContact CA-O 3.45Å; I310-Y363 HydrophobicContact CB-CD1 4.11Å; I310-Y363 HydrophobicContact CB-CE1 3.7Å; I310-Y363 HydrophobicContact CD1-CE1 4.25Å; I310-Y363 HydrophobicContact CD1-CE2 4.4Å; I310-Y363 WeakPolarHBondContact CD1-OH 3.28Å; I310-Y363 HydrophobicContact CG2-CD1 4.43Å; I310-Y363 HydrophobicContact CG2-CE1 3.84Å; I310-Y363 PolarHBondContact N-O 3.18Å; I310-Y363 PolarHBondContact O-N 2.65Å; I312-Y363 HydrophobicContact CD1-CE1 4.5Å; V348-Y363 HydrophobicContact CB-CD1 4.25Å; V348-Y363 HydrophobicContact CB-CE1 3.87Å; V348-Y363 HydrophobicContact CB-CE2 4.34Å; V348-Y363 HydrophobicContact CG1-CE1 3.86Å; V348-Y363 HydrophobicContact CG2-CD1 4.19Å; V348-Y363 HydrophobicContact CG2-CE1 4.15Å; V349-Y363 HydrophobicContact CG1-CD2 3.57Å; V349-Y363 HydrophobicContact CG1-CE2 4.1Å; V349-Y363 HydrophobicContact CG1-CG 4.4Å; V349-Y363 HydrophobicContact CG2-CD2 4.25Å; V349-Y363 HydrophobicContact CG2-CG 4.28Å; Y361-Y363 HydrophobicContact CD1-CD1 4.27Å; Y361-Y363 AromaticContact CE1-CD1 3.76Å; Y361-Y363 HydrophobicContact CE1-CD1 3.76Å; Y361-Y363 HydrophobicContact CE1-CG 4.26Å; Y363-Y380 PolarHBondContact OH-OH 2.74Å
364	T	93.3	Very high	96.4	Very high	45 Å²	45	40.6 Å²	40.6	28%	0.276	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.5	177.3	-59	0	0	0	0	109	L165 Y271 Y308	L165-T364 HydrophobicContact CD2-CG2 3.6Å; Y271-T364 WeakPolarHBondContact OH-CG2 3.5Å; Y308-T364 WeakPolarHBondContact O-CA 3.35Å
365	S	94.1	Very high	96.4	Very high	32 Å²	32	40 Å²	40	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-173.1	172.5	-173.5	0	0	0	0	109.2	T307 Y308	T307-S365 WeakPolarHBondContact CA-O 3.45Å; Y308-S365 PolarHBondContact N-O 3.09Å; Y308-S365 PolarHBondContact O-N 3.27Å; Y308-S365 PolarHBondContact OH-OG 3.05Å
366	C	95.4	Very high	96.4	Very high	52 Å²	52	40.1 Å²	40.1	35%	0.351	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	161.5	-173.3	57.8	0	0	0	0	111.5	L165 F305 F306 T307	L165-C366 HydrophobicContact CD1-CB 4.43Å; F305-C366 HydrophobicContact CD1-CB 4.39Å; F305-C366 HydrophobicContact CE1-CB 3.36Å; F305-C366 HydrophobicContact CE2-CB 4.45Å; F305-C366 HydrophobicContact CZ-CB 3.4Å; F305-C366 VanDerWaalsContact CZ-CB 3.4Å; F305-C366 VanDerWaalsContact CZ-SG 3.57Å; F306-C366 CarbonylContact O-C 3.52Å; F306-C366 WeakPolarHBondContact O-CA 3.23Å; F306-C366 WeakPolarHBondContact O-CB 3.44Å; T307-C366 HydrophobicContact CG2-CB 4.19Å
367	T	96.1	Very high	96.4	Very high	17 Å²	17	40 Å²	40	10%	0.104	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.7	172.7	-172.1	0	0	0	0	108.6	F306 Y308 F369 M376 M401	F306-T367 HydrophobicContact CB-CG2 4.26Å; F306-T367 PolarHBondContact N-O 3.48Å; F306-T367 PolarHBondContact O-N 3.45Å; F306-T367 VanDerWaalsContact O-O 3.12Å; Y308-T367 HydrophobicContact CD1-CG2 4.35Å; Y308-T367 HydrophobicContact CE1-CG2 4.29Å; T367-F369 HydrophobicContact CG2-CE2 3.89Å; T367-F369 HydrophobicContact CG2-CZ 4.19Å; T367-M376 HydrophobicContact CG2-SD 3.74Å; T367-M401 HydrophobicContact CG2-CE 3.92Å; T367-M401 HydrophobicContact CG2-SD 3.88Å
368	T	96.3	Very high	96.5	Very high	64 Å²	64	38.8 Å²	38.8	39%	0.393	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.5	177.4	52.1	0	0	0	0	109.1	H303 Y304 F305	H303-T368 VanDerWaalsContact NE2-CG2 3.32Å; H303-T368 WeakPolarHBondContact NE2-CG2 3.41Å; Y304-T368 WeakPolarHBondContact O-CA 3.36Å; F305-T368 HydrophobicContact CB-CG2 4.4Å; F305-T368 HydrophobicContact CD2-CG2 3.38Å; F305-T368 HydrophobicContact CE2-CG2 3.89Å; F305-T368 HydrophobicContact CG-CG2 4.1Å
369	F	96.8	Very high	96.6	Very high	9 Å²	9	40.9 Å²	40.9	4%	0.039	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.5	171.6	-64.3	-72.9	0	0	0	109.8	Y304 F306 I333 N335 T367 T371 M376 M401	Y304-F369 PolarHBondContact N-O 3.26Å; Y304-F369 PolarHBondContact O-N 2.98Å; F306-F369 AromaticContact CD2-CD2 3.61Å; F306-F369 HydrophobicContact CD2-CD2 3.61Å; F306-F369 AromaticContact CD2-CE2 4Å; F306-F369 HydrophobicContact CD2-CE2 4Å; F306-F369 AromaticContact CE2-CD2 3.68Å; F306-F369 HydrophobicContact CE2-CD2 3.68Å; F306-F369 HydrophobicContact CE2-CE2 4.33Å; I333-F369 HydrophobicContact CG2-CE1 3.54Å; I333-F369 HydrophobicContact CG2-CZ 4.01Å; N335-F369 HydrophobicContact CB-CD1 4.05Å; T367-F369 HydrophobicContact CG2-CE2 3.89Å; T367-F369 HydrophobicContact CG2-CZ 4.19Å; F369-T371 VanDerWaalsContact CB-O 3.3Å; F369-T371 WeakPolarHBondContact CB-O 3.32Å; F369-T371 PolarHBondContact O-N 3.31Å; F369-M376 HydrophobicContact CZ-CG 4.49Å; F369-M401 HydrophobicContact CE2-CB 4.12Å; F369-M401 HydrophobicContact CE2-CE 3.55Å; F369-M401 HydrophobicContact CE2-SD 4.13Å; F369-M401 HydrophobicContact CZ-CE 3.63Å
370	S	95.3	Very high	96.7	Very high	59 Å²	59	35.6 Å²	35.6	41%	0.413	20%	0.202	S	C	.	.	S	Bend	trans	-80	6.6	165.9	57.9	0	0	0	0	112.9	P302	P302-S370 WeakPolarHBondContact O-CA 3.12Å
371	T	96.3	Very high	96.7	Very high	12 Å²	12	34 Å²	34	7%	0.074	19%	0.192	C	C	.	.	S	Bend	trans	-130.6	153.7	178.5	54.6	0	0	0	0	110.6	Y304 N335 A336 K337 F369 S373	Y304-T371 VanDerWaalsContact CD2-C 3.42Å; Y304-T371 VanDerWaalsContact CD2-O 3.29Å; Y304-T371 WeakPolarHBondContact CD2-O 3.38Å; N335-T371 HydrophobicContact CB-CG2 4.42Å; N335-T371 WeakPolarHBondContact CB-OG1 3.14Å; A336-T371 HydrophobicContact CB-CG2 4.1Å; A336-T371 PolarHBondContact N-OG1 3.02Å; K337-T371 HydrophobicContact CD-CG2 3.97Å; K337-T371 HydrophobicContact CG-CG2 3.84Å; F369-T371 VanDerWaalsContact CB-O 3.3Å; F369-T371 WeakPolarHBondContact CB-O 3.32Å; F369-T371 PolarHBondContact O-N 3.31Å; T371-S373 PolarHBondContact O-N 3.27Å; T371-S373 PolarHBondContact OG1-O 2.64Å
372	T	96.2	Very high	96.8	Very high	51 Å²	51	32.8 Å²	32.8	31%	0.313	19%	0.188	S	C	.	.	S	Bend	trans	-61.7	-18.4	-178	56.5	0	0	0	0	114.1	Y304 A402 C403 F406	Y304-T372 HydrophobicContact CE1-CG2 3.92Å; Y304-T372 HydrophobicContact CE2-CG2 4.05Å; Y304-T372 WeakPolarHBondContact OH-CG2 3.44Å; T372-A402 WeakPolarHBondContact O-CA 3.27Å; T372-C403 VanDerWaalsContact CB-SG 3.59Å; T372-C403 PolarHBondContact O-N 3.27Å; T372-F406 HydrophobicContact CG2-CD1 4.49Å; T372-F406 HydrophobicContact CG2-CE1 3.56Å; T372-F406 HydrophobicContact CG2-CZ 4.17Å
373	S	97.4	Very high	96.9	Very high	42 Å²	42	29.7 Å²	29.7	29%	0.294	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.6	173.4	60.3	0	0	0	0	112.1	A336 T371 M401	A336-S373 WeakPolarHBondContact CB-O 3.32Å; A336-S373 PolarHBondContact N-O 3.48Å; T371-S373 PolarHBondContact O-N 3.27Å; T371-S373 PolarHBondContact OG1-O 2.64Å; S373-M401 CarbonylContact C-O 3.57Å; S373-M401 WeakPolarHBondContact CA-O 3.41Å; S373-M401 VanDerWaalsContact CB-O 3.29Å; S373-M401 WeakPolarHBondContact CB-O 3.45Å
374	G	97.9	Very high	97.1	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	177.2	176.3	0	0	0	0	0	110.3	T334 M401	T334-G374 CarbonylContact O-C 3.51Å; T334-G374 VanDerWaalsContact O-CA 3.23Å; T334-G374 WeakPolarHBondContact O-CA 3.23Å; G374-M401 PolarHBondContact N-O 2.8Å; G374-M401 PolarHBondContact O-N 3.47Å
375	Y	98.3	Very high	97.2	Very high	47 Å²	47	31 Å²	31	18%	0.184	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158	173.1	64.4	-97	0	0	0	111.5	T334 R398 F399 H400	T334-Y375 WeakPolarHBondContact CB-OH 3.41Å; T334-Y375 HydrophobicContact CG2-CE1 3.88Å; T334-Y375 HydrophobicContact CG2-CE2 4.4Å; T334-Y375 WeakPolarHBondContact CG2-OH 3.45Å; T334-Y375 PolarHBondContact N-O 3.43Å; T334-Y375 PolarHBondContact O-N 3.4Å; T334-Y375 PolarHBondContact OG1-OH 3.16Å; Y375-R398 HydrophobicContact CD2-CG 3.93Å; Y375-R398 HydrophobicContact CG-CG 4.35Å; Y375-F399 VanDerWaalsContact CA-O 3.24Å; Y375-F399 WeakPolarHBondContact CA-O 3.05Å; Y375-F399 VanDerWaalsContact CB-O 3.31Å; Y375-F399 WeakPolarHBondContact CB-O 3.28Å; Y375-H400 AromaticContact CD1-CE1 3.87Å; Y375-H400 AromaticContact CG-CE1 3.98Å
376	M	98.5	Very high	97.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.1	175.1	-64.5	173.9	72.7	0	0	109.6	Y308 W331 R332 I333 T367 F369 R398 F399 M401	Y308-M376 HydrophobicContact CD1-SD 4.15Å; Y308-M376 HydrophobicContact CE1-CE 3.91Å; Y308-M376 HydrophobicContact CE1-SD 3.93Å; W331-M376 HydrophobicContact CD2-CE 3.87Å; W331-M376 HydrophobicContact CE3-CB 4.14Å; W331-M376 HydrophobicContact CE3-CE 3.77Å; W331-M376 HydrophobicContact CG-CE 4.27Å; W331-M376 HydrophobicContact CZ3-CB 4.09Å; W331-M376 HydrophobicContact CZ3-CE 4.13Å; R332-M376 WeakPolarHBondContact O-CA 3.23Å; I333-M376 HydrophobicContact CB-CG 4.32Å; I333-M376 HydrophobicContact CD1-CE 3.84Å; I333-M376 HydrophobicContact CG1-CE 3.9Å; I333-M376 HydrophobicContact CG1-CG 4.03Å; I333-M376 HydrophobicContact CG2-CG 4.01Å; T367-M376 HydrophobicContact CG2-SD 3.74Å; F369-M376 HydrophobicContact CZ-CG 4.49Å; M376-R398 WeakPolarHBondContact O-CA 3.35Å; M376-F399 HydrophobicContact CB-CD2 4.47Å; M376-F399 HydrophobicContact CB-CE1 3.89Å; M376-F399 HydrophobicContact CB-CE2 3.83Å; M376-F399 HydrophobicContact CB-CZ 3.51Å; M376-F399 HydrophobicContact CE-CZ 4.4Å; M376-F399 HydrophobicContact CG-CE2 4.22Å; M376-F399 HydrophobicContact CG-CZ 4.18Å; M376-F399 PolarHBondContact N-O 2.96Å; M376-F399 PolarHBondContact O-N 2.67Å; M376-F399 HydrophobicContact SD-CE2 3.87Å; M376-F399 HydrophobicContact SD-CZ 3.78Å; M376-M401 HydrophobicContact CB-CE 4.36Å; M376-M401 HydrophobicContact CG-CE 3.64Å; M376-M401 HydrophobicContact SD-CE 3.6Å
377	E	98.6	Very high	97	Very high	38 Å²	38	39.2 Å²	39.2	18%	0.178	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.8	172.3	64.2	-170.9	164.1	0	0	109.7	R332 R398	R332-E377 HydrophobicContact CB-CG 4.13Å; R332-E377 IonicContact CZ-OE1 3.89Å; R332-E377 PolarHBondContact N-O 2.91Å; R332-E377 IonicContact NH1-OE1 2.78Å; R332-E377 PolarHBondContact NH1-OE1 3.3Å; R332-E377 PolarHBondContact O-N 3.2Å; E377-R398 HydrophobicContact CB-CB 4.04Å; E377-R398 HydrophobicContact CB-CG 4.33Å; E377-R398 IonicContact OE1-CZ 3.69Å; E377-R398 IonicContact OE1-NE 3.82Å; E377-R398 IonicContact OE1-NH2 2.9Å; E377-R398 PolarHBondContact OE1-NH2 2.91Å; E377-R398 IonicContact OE2-CZ 3.19Å; E377-R398 IonicContact OE2-NE 2.79Å; E377-R398 PolarHBondContact OE2-NE 3.42Å; E377-R398 IonicContact OE2-NH2 2.76Å; E377-R398 PolarHBondContact OE2-NH2 3.29Å
378	G	98.4	Very high	96.1	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-156.4	-179.3	0	0	0	0	0	113.8	Y330 I396	Y330-G378 VanDerWaalsContact O-CA 3.26Å; Y330-G378 WeakPolarHBondContact O-CA 3.27Å; G378-I396 PolarHBondContact O-N 3.16Å
379	Y	98.8	Very high	95.8	Very high	75 Å²	75	50.3 Å²	50.3	29%	0.294	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	156.4	176.2	55.5	-96.9	0	0	0	111.9	Y330 N393 V394	Y330-Y379 AromaticContact CD1-CD1 3.75Å; Y330-Y379 HydrophobicContact CD1-CD1 3.75Å; Y330-Y379 AromaticContact CD1-CE1 3.34Å; Y330-Y379 HydrophobicContact CD1-CE1 3.34Å; Y330-Y379 AromaticContact CD1-CZ 3.8Å; Y330-Y379 HydrophobicContact CE1-CD1 4.49Å; Y330-Y379 AromaticContact CE1-CE1 3.97Å; Y330-Y379 HydrophobicContact CE1-CE1 3.97Å; Y330-Y379 HydrophobicContact CG-CD1 4.49Å; Y330-Y379 AromaticContact CG-CE1 3.88Å; Y330-Y379 HydrophobicContact CG-CE1 3.88Å; Y330-Y379 HydrophobicContact CG-CE2 4.41Å; Y330-Y379 AromaticContact CG-CZ 3.82Å; Y330-Y379 PolarHBondContact N-O 3.28Å; Y330-Y379 PolarHBondContact O-N 2.94Å; Y379-N393 HydrophobicContact CD2-CB 4Å; Y379-N393 VanDerWaalsContact CD2-CG 3.49Å; Y379-N393 WeakPolarHBondContact CD2-ND2 3.33Å; Y379-N393 WeakPolarHBondContact CE2-ND2 3.34Å; Y379-N393 HydrophobicContact CG-CB 4.21Å; Y379-V394 CarbonylContact C-O 3.52Å; Y379-V394 WeakPolarHBondContact CA-O 3.11Å; Y379-V394 VanDerWaalsContact CB-O 3.32Å; Y379-V394 WeakPolarHBondContact CB-O 3.47Å
380	Y	98.8	Very high	95.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.8	165.4	-62	-58.3	0	0	0	110.3	V286 I310 I312 L326 S328 R329 V348 Y363 F382 N393 V394 I396	V286-Y380 HydrophobicContact CG1-CE2 4.16Å; V286-Y380 HydrophobicContact CG2-CD2 4.23Å; V286-Y380 HydrophobicContact CG2-CE2 4.21Å; I310-Y380 VanDerWaalsContact CD1-OH 3.26Å; I310-Y380 WeakPolarHBondContact CD1-OH 3.48Å; I310-Y380 HydrophobicContact CG2-CE2 4.39Å; I312-Y380 HydrophobicContact CD1-CD2 3.94Å; I312-Y380 HydrophobicContact CD1-CE2 3.61Å; I312-Y380 HydrophobicContact CG1-CE2 4.14Å; L326-Y380 HydrophobicContact CD1-CD1 3.74Å; L326-Y380 HydrophobicContact CD1-CD2 4.49Å; L326-Y380 HydrophobicContact CD1-CE1 4.26Å; L326-Y380 HydrophobicContact CD1-CG 3.89Å; L326-Y380 HydrophobicContact CG-CD1 4.41Å; S328-Y380 WeakPolarHBondContact O-CA 3.27Å; R329-Y380 HydrophobicContact CB-CD1 3.76Å; R329-Y380 HydrophobicContact CB-CE1 3.85Å; V348-Y380 HydrophobicContact CG1-CD1 4.12Å; V348-Y380 HydrophobicContact CG1-CE1 3.57Å; Y363-Y380 PolarHBondContact OH-OH 2.74Å; Y380-F382 VanDerWaalsContact CB-CE2 3.44Å; Y380-F382 HydrophobicContact CD2-CE2 4.39Å; Y380-F382 HydrophobicContact CG-CE2 4.2Å; Y380-N393 CarbonylContact O-C 3.56Å; Y380-N393 VanDerWaalsContact O-CA 3.26Å; Y380-N393 WeakPolarHBondContact O-CA 3.5Å; Y380-V394 PolarHBondContact N-O 2.96Å; Y380-V394 PolarHBondContact O-N 3.47Å; Y380-I396 HydrophobicContact CD1-CD1 4.16Å; Y380-I396 HydrophobicContact CD2-CD1 4.01Å; Y380-I396 HydrophobicContact CD2-CG1 3.86Å; Y380-I396 HydrophobicContact CE1-CD1 3.75Å; Y380-I396 HydrophobicContact CE2-CD1 3.58Å; Y380-I396 HydrophobicContact CE2-CG1 3.56Å; Y380-I396 HydrophobicContact CG-CD1 4.26Å; Y380-I396 HydrophobicContact CG-CG1 4.48Å; Y380-I396 VanDerWaalsContact CZ-CD1 3.41Å
381	T	98.6	Very high	95.8	Very high	22 Å²	22	58.1 Å²	58.1	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.8	170.1	-48.5	0	0	0	0	108.7	D327 S328 I391	D327-T381 PolarHBondContact N-O 3.42Å; S328-T381 PolarHBondContact N-O 3.47Å; S328-T381 PolarHBondContact O-N 3.16Å; S328-T381 VanDerWaalsContact OG-CB 3.24Å; S328-T381 WeakPolarHBondContact OG-CB 3.4Å; S328-T381 PolarHBondContact OG-OG1 3.4Å; S328-T381 VanDerWaalsContact OG-OG1 3.05Å; T381-I391 HydrophobicContact CG2-CG2 3.29Å
382	F	98.4	Very high	95.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.9	178.3	-81.8	-98.2	0	0	0	111	I312 C324 Q325 L326 I355 Y380 I391 F392 V394	I312-F382 HydrophobicContact CG2-CZ 4.31Å; C324-F382 HydrophobicContact CB-CB 4.39Å; C324-F382 HydrophobicContact CB-CD1 3.95Å; C324-F382 VanDerWaalsContact SG-CD1 3.55Å; Q325-F382 VanDerWaalsContact O-CA 3.28Å; Q325-F382 WeakPolarHBondContact O-CA 3.35Å; Q325-F382 VanDerWaalsContact O-CD1 3.29Å; Q325-F382 WeakPolarHBondContact O-CD1 3.44Å; L326-F382 HydrophobicContact CB-CD1 4.17Å; L326-F382 HydrophobicContact CB-CE1 3.62Å; L326-F382 HydrophobicContact CB-CE2 4.25Å; L326-F382 HydrophobicContact CB-CZ 3.67Å; L326-F382 HydrophobicContact CD1-CE2 4.23Å; L326-F382 HydrophobicContact CD1-CZ 3.95Å; L326-F382 HydrophobicContact CG-CE1 4.45Å; L326-F382 HydrophobicContact CG-CE2 4.22Å; L326-F382 HydrophobicContact CG-CZ 4.04Å; I355-F382 HydrophobicContact CB-CE1 4.44Å; I355-F382 HydrophobicContact CG1-CE1 3.82Å; I355-F382 HydrophobicContact CG1-CZ 4.18Å; Y380-F382 VanDerWaalsContact CB-CE2 3.44Å; Y380-F382 HydrophobicContact CD2-CE2 4.39Å; Y380-F382 HydrophobicContact CG-CE2 4.2Å; F382-I391 CarbonylContact O-C 3.46Å; F382-I391 VanDerWaalsContact O-CA 3.24Å; F382-I391 WeakPolarHBondContact O-CA 3.43Å; F382-I391 WeakPolarHBondContact O-CG2 3.29Å; F382-F392 HydrophobicContact CB-CD1 4.22Å; F382-F392 HydrophobicContact CB-CE1 3.72Å; F382-F392 HydrophobicContact CB-CE2 4.1Å; F382-F392 HydrophobicContact CB-CZ 3.66Å; F382-F392 HydrophobicContact CG-CZ 4.35Å; F382-F392 PolarHBondContact N-O 2.91Å; F382-F392 PolarHBondContact O-N 2.81Å; F382-V394 HydrophobicContact CD2-CB 4.17Å; F382-V394 HydrophobicContact CD2-CG2 3.64Å; F382-V394 HydrophobicContact CE2-CB 4.19Å; F382-V394 HydrophobicContact CE2-CG2 3.95Å; F382-V394 HydrophobicContact CG-CG2 4.42Å
383	H	97.7	Very high	96	Very high	22 Å²	22	61.1 Å²	61.1	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.1	162.2	73.4	-87.6	0	0	0	111.2	C324 Q325 D327 K390 I391	C324-H383 CarbonylContact C-O 3.55Å; C324-H383 WeakPolarHBondContact CA-O 3.38Å; C324-H383 WeakPolarHBondContact CB-O 3.47Å; Q325-H383 PolarHBondContact N-O 3.23Å; Q325-H383 PolarHBondContact O-N 3.21Å; Q325-H383 VanDerWaalsContact O-N 3.09Å; D327-H383 IonicContact OD1-CE1 3.59Å; D327-H383 PolarHBondContact OD1-CE1 3Å; D327-H383 IonicContact OD1-ND1 2.65Å; D327-H383 PolarHBondContact OD1-ND1 3.07Å; D327-H383 IonicContact OD2-CE1 3.69Å; D327-H383 IonicContact OD2-CG 2.85Å; D327-H383 PolarHBondContact OD2-N 3.35Å; D327-H383 IonicContact OD2-ND1 3.86Å; D327-H383 PolarHBondContact OD2-ND1 3.26Å; H383-K390 WeakPolarHBondContact CA-O 3.44Å; H383-I391 HydrophobicContact CB-CG1 4.22Å
384	F	97.2	Very high	96	Very high	33 Å²	33	59.1 Å²	59.1	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.5	173.1	-71.4	-69.8	0	0	0	111.4	K322 C324 Y386 F387 K388 K390 F392	K322-F384 HydrophobicContact CB-CE1 4.37Å; K322-F384 HydrophobicContact CD-CE1 3.88Å; K322-F384 HydrophobicContact CD-CZ 4.27Å; K322-F384 WeakPolarHBondContact O-CE1 3.05Å; C324-F384 HydrophobicContact CB-CD1 4.19Å; F384-Y386 VanDerWaalsContact C-N 3.33Å; F384-Y386 PolarHBondContact O-N 3.34Å; F384-F387 HydrophobicContact CB-CB 4.07Å; F384-F387 CarbonylContact O-C 3.53Å; F384-F387 VanDerWaalsContact O-C 3.25Å; F384-F387 PolarHBondContact O-N 3.05Å; F384-K388 WeakPolarHBondContact O-CA 3.44Å; F384-K388 PolarHBondContact O-N 3.28Å; F384-K390 HydrophobicContact CD2-CB 3.75Å; F384-K390 HydrophobicContact CE2-CB 4.43Å; F384-K390 PolarHBondContact N-O 2.91Å; F384-F392 HydrophobicContact CD1-CE1 4.09Å; F384-F392 HydrophobicContact CD2-CD1 4.03Å; F384-F392 AromaticContact CD2-CE1 3.92Å; F384-F392 HydrophobicContact CD2-CE1 3.92Å; F384-F392 AromaticContact CE1-CE1 3.69Å; F384-F392 HydrophobicContact CE1-CE1 3.69Å; F384-F392 HydrophobicContact CE1-CZ 4.05Å; F384-F392 AromaticContact CE2-CD1 3.54Å; F384-F392 HydrophobicContact CE2-CD1 3.54Å; F384-F392 AromaticContact CE2-CE1 3.54Å; F384-F392 HydrophobicContact CE2-CE1 3.54Å; F384-F392 HydrophobicContact CE2-CG 4.48Å; F384-F392 HydrophobicContact CE2-CZ 4.47Å; F384-F392 HydrophobicContact CG-CE1 4.19Å; F384-F392 AromaticContact CZ-CD1 3.8Å; F384-F392 HydrophobicContact CZ-CD1 3.8Å; F384-F392 AromaticContact CZ-CE1 3.4Å; F384-F392 HydrophobicContact CZ-CE1 3.4Å; F384-F392 VanDerWaalsContact CZ-CE1 3.4Å; F384-F392 AromaticContact CZ-CZ 3.92Å; F384-F392 HydrophobicContact CZ-CZ 3.92Å
385	L	96.1	Very high	96.1	Very high	54 Å²	54	60.9 Å²	60.9	28%	0.283	29%	0.292	S	S	.	.	S	Bend	trans	-66.2	-35.4	179.2	-68.2	-175.9	0	0	0	112.8	A323 Q325 I354	A323-L385 HydrophobicContact CB-CD1 4.15Å; A323-L385 PolarHBondContact O-N 2.88Å; Q325-L385 HydrophobicContact CB-CD2 3.91Å; I354-L385 HydrophobicContact CD1-CD1 4.2Å; I354-L385 HydrophobicContact CG1-CD1 4.31Å; I354-L385 HydrophobicContact CG2-CD1 3.62Å
386	Y	92.8	Very high	96.1	Very high	151 Å²	151	59 Å²	59	59%	0.592	29%	0.285	S	S	*	.	S	Bend	trans	-87.6	-13.9	179.7	-63.3	-84.2	0	0	0	113.4	P320 E321 A323 F384	P320-Y386 WeakPolarHBondContact O-CE2 3.08Å; E321-Y386 HydrophobicContact CB-CD2 4.49Å; A323-Y386 HydrophobicContact CB-CE2 4.21Å; F384-Y386 VanDerWaalsContact C-N 3.33Å; F384-Y386 PolarHBondContact O-N 3.34Å
387	F	91.8	Very high	96.1	Very high	107 Å²	107	59.5 Å²	59.5	47%	0.469	29%	0.288	S	S	.	.	S	Bend	trans	-139.7	70.4	-178.8	-56.8	-77.3	0	0	0	109.6	F384 D389 K390	F384-F387 HydrophobicContact CB-CB 4.07Å; F384-F387 CarbonylContact O-C 3.53Å; F384-F387 VanDerWaalsContact O-C 3.25Å; F384-F387 PolarHBondContact O-N 3.05Å; F387-D389 PolarHBondContact O-N 3.46Å; F387-D389 VanDerWaalsContact O-N 3.1Å; F387-K390 HydrophobicContact CB-CB 4.19Å; F387-K390 HydrophobicContact CB-CD 3.94Å; F387-K390 HydrophobicContact CB-CG 4.09Å; F387-K390 HydrophobicContact CG-CD 4.4Å; F387-K390 WeakPolarHBondContact O-CB 3.48Å; F387-K390 PolarHBondContact O-N 2.81Å
388	K	78.4	Confident	96.1	Very high	149 Å²	149	63.1 Å²	63.1	65%	0.648	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.6	-168.8	-69.6	-170.3	174.3	-171.1	0	115.1	F384 K390	F384-K388 WeakPolarHBondContact O-CA 3.44Å; F384-K388 PolarHBondContact O-N 3.28Å; K388-K390 PolarHBondContact O-N 3.2Å
389	D	89.9	Confident	96	Very high	164 Å²	164	62.4 Å²	62.4	88%	0.877	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.9	178.1	-54.6	-36.8	0	0	0	113.1	F387 I391	F387-D389 PolarHBondContact O-N 3.46Å; F387-D389 VanDerWaalsContact O-N 3.1Å; D389-I391 PolarHBondContact O-N 2.7Å
390	K	94.1	Very high	96	Very high	124 Å²	124	64.6 Å²	64.6	54%	0.539	31%	0.306	S	S	.	.			trans	-93.4	100.8	177.3	-68.3	-170.7	178.4	-179.5	0	110.2	H383 F384 F387 K388	H383-K390 WeakPolarHBondContact CA-O 3.44Å; F384-K390 HydrophobicContact CD2-CB 3.75Å; F384-K390 HydrophobicContact CE2-CB 4.43Å; F384-K390 PolarHBondContact N-O 2.91Å; F387-K390 HydrophobicContact CB-CB 4.19Å; F387-K390 HydrophobicContact CB-CD 3.94Å; F387-K390 HydrophobicContact CB-CG 4.09Å; F387-K390 HydrophobicContact CG-CD 4.4Å; F387-K390 WeakPolarHBondContact O-CB 3.48Å; F387-K390 PolarHBondContact O-N 2.81Å; K388-K390 PolarHBondContact O-N 3.2Å
391	I	96.9	Very high	95.9	Very high	109 Å²	109	64.7 Å²	64.7	56%	0.559	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.1	176.5	-55.8	173.2	0	0	0	109.1	T381 F382 H383 D389	T381-I391 HydrophobicContact CG2-CG2 3.29Å; F382-I391 CarbonylContact O-C 3.46Å; F382-I391 VanDerWaalsContact O-CA 3.24Å; F382-I391 WeakPolarHBondContact O-CA 3.43Å; F382-I391 WeakPolarHBondContact O-CG2 3.29Å; H383-I391 HydrophobicContact CB-CG1 4.22Å; D389-I391 PolarHBondContact O-N 2.7Å
392	F	98.1	Very high	95.8	Very high	48 Å²	48	66.9 Å²	66.9	21%	0.211	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	154.9	176.7	66.2	-78.6	0	0	0	111.2	I284 C324 F382 F384 V394	I284-F392 HydrophobicContact CD1-CE2 4Å; I284-F392 HydrophobicContact CD1-CZ 4.01Å; C324-F392 HydrophobicContact CB-CE1 4.09Å; C324-F392 HydrophobicContact CB-CZ 4.03Å; F382-F392 HydrophobicContact CB-CD1 4.22Å; F382-F392 HydrophobicContact CB-CE1 3.72Å; F382-F392 HydrophobicContact CB-CE2 4.1Å; F382-F392 HydrophobicContact CB-CZ 3.66Å; F382-F392 HydrophobicContact CG-CZ 4.35Å; F382-F392 PolarHBondContact N-O 2.91Å; F382-F392 PolarHBondContact O-N 2.81Å; F384-F392 HydrophobicContact CD1-CE1 4.09Å; F384-F392 HydrophobicContact CD2-CD1 4.03Å; F384-F392 AromaticContact CD2-CE1 3.92Å; F384-F392 HydrophobicContact CD2-CE1 3.92Å; F384-F392 AromaticContact CE1-CE1 3.69Å; F384-F392 HydrophobicContact CE1-CE1 3.69Å; F384-F392 HydrophobicContact CE1-CZ 4.05Å; F384-F392 AromaticContact CE2-CD1 3.54Å; F384-F392 HydrophobicContact CE2-CD1 3.54Å; F384-F392 AromaticContact CE2-CE1 3.54Å; F384-F392 HydrophobicContact CE2-CE1 3.54Å; F384-F392 HydrophobicContact CE2-CG 4.48Å; F384-F392 HydrophobicContact CE2-CZ 4.47Å; F384-F392 HydrophobicContact CG-CE1 4.19Å; F384-F392 AromaticContact CZ-CD1 3.8Å; F384-F392 HydrophobicContact CZ-CD1 3.8Å; F384-F392 AromaticContact CZ-CE1 3.4Å; F384-F392 HydrophobicContact CZ-CE1 3.4Å; F384-F392 VanDerWaalsContact CZ-CE1 3.4Å; F384-F392 AromaticContact CZ-CZ 3.92Å; F384-F392 HydrophobicContact CZ-CZ 3.92Å; F392-V394 HydrophobicContact CD2-CG2 4.03Å; F392-V394 HydrophobicContact CE2-CG2 3.59Å
393	N	98.6	Very high	95.6	Very high	77 Å²	77	67.8 Å²	67.8	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.1	176.9	-68.8	-8.7	0	0	0	110.5	T281 Y379 Y380	T281-N393 WeakPolarHBondContact CG2-O 3.23Å; Y379-N393 HydrophobicContact CD2-CB 4Å; Y379-N393 VanDerWaalsContact CD2-CG 3.49Å; Y379-N393 WeakPolarHBondContact CD2-ND2 3.33Å; Y379-N393 WeakPolarHBondContact CE2-ND2 3.34Å; Y379-N393 HydrophobicContact CG-CB 4.21Å; Y380-N393 CarbonylContact O-C 3.56Å; Y380-N393 VanDerWaalsContact O-CA 3.26Å; Y380-N393 WeakPolarHBondContact O-CA 3.5Å
394	V	98.7	Very high	95.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.5	170.8	176.7	0	0	0	0	107.5	I284 V286 Y379 Y380 F382 F392	I284-V394 HydrophobicContact CB-CG1 4.24Å; I284-V394 HydrophobicContact CB-CG2 4.32Å; I284-V394 HydrophobicContact CD1-CG2 3.9Å; I284-V394 HydrophobicContact CG2-CG1 3.78Å; I284-V394 HydrophobicContact CG2-CG2 4.32Å; V286-V394 HydrophobicContact CG2-CG1 3.69Å; Y379-V394 CarbonylContact C-O 3.52Å; Y379-V394 WeakPolarHBondContact CA-O 3.11Å; Y379-V394 VanDerWaalsContact CB-O 3.32Å; Y379-V394 WeakPolarHBondContact CB-O 3.47Å; Y380-V394 PolarHBondContact N-O 2.96Å; Y380-V394 PolarHBondContact O-N 3.47Å; F382-V394 HydrophobicContact CD2-CB 4.17Å; F382-V394 HydrophobicContact CD2-CG2 3.64Å; F382-V394 HydrophobicContact CE2-CB 4.19Å; F382-V394 HydrophobicContact CE2-CG2 3.95Å; F382-V394 HydrophobicContact CG-CG2 4.42Å; F392-V394 HydrophobicContact CD2-CG2 4.03Å; F392-V394 HydrophobicContact CE2-CG2 3.59Å
395	A	98.7	Very high	95.1	Very high	43 Å²	43	72.1 Å²	72.1	36%	0.355	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	139.5	-179.1	0	0	0	0	0	111.2	A279 T281	A279-A395 HydrophobicContact CB-CB 4.38Å; T281-A395 PolarHBondContact OG1-N 3.27Å
396	I	98.7	Very high	94.8	Very high	7 Å²	7	73 Å²	73	4%	0.036	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.8	165.9	-56.7	169	0	0	0	106.2	V286 V288 W331 G378 Y380 F399	V286-I396 HydrophobicContact CG1-CG1 4.4Å; V286-I396 HydrophobicContact CG1-CG2 4.24Å; V288-I396 HydrophobicContact CG2-CG2 4.2Å; W331-I396 HydrophobicContact CD2-CD1 4.39Å; W331-I396 HydrophobicContact CE3-CD1 4.28Å; W331-I396 HydrophobicContact CH2-CB 4.43Å; W331-I396 HydrophobicContact CH2-CD1 3.62Å; W331-I396 HydrophobicContact CH2-CG1 4.49Å; W331-I396 HydrophobicContact CH2-CG2 3.57Å; W331-I396 HydrophobicContact CZ2-CD1 3.67Å; W331-I396 HydrophobicContact CZ3-CB 4.37Å; W331-I396 HydrophobicContact CZ3-CD1 3.91Å; W331-I396 HydrophobicContact CZ3-CG2 3.68Å; G378-I396 PolarHBondContact O-N 3.16Å; Y380-I396 HydrophobicContact CD1-CD1 4.16Å; Y380-I396 HydrophobicContact CD2-CD1 4.01Å; Y380-I396 HydrophobicContact CD2-CG1 3.86Å; Y380-I396 HydrophobicContact CE1-CD1 3.75Å; Y380-I396 HydrophobicContact CE2-CD1 3.58Å; Y380-I396 HydrophobicContact CE2-CG1 3.56Å; Y380-I396 HydrophobicContact CG-CD1 4.26Å; Y380-I396 HydrophobicContact CG-CG1 4.48Å; Y380-I396 VanDerWaalsContact CZ-CD1 3.41Å; I396-F399 HydrophobicContact CG2-CE1 4.25Å
397	P	98.4	Very high	94.6	Very high	12 Å²	12	69.1 Å²	69.1	8%	0.078	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	148.9	178.5	27.6	-34.1	0	0	0	109.8	C277 A279 V288 F399	C277-P397 VanDerWaalsContact C-CG 3.45Å; C277-P397 WeakPolarHBondContact O-CG 3.25Å; A279-P397 HydrophobicContact CB-CB 3.93Å; A279-P397 HydrophobicContact CB-CG 4.24Å; V288-P397 HydrophobicContact CG2-CG 3.89Å; P397-F399 WeakPolarHBondContact O-CD1 3.44Å; P397-F399 PolarHBondContact O-N 2.74Å
398	R	98.3	Very high	94.4	Very high	114 Å²	114	66.5 Å²	66.5	43%	0.43	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.3	165.9	-178.4	-179.6	-64.2	-169.1	-2.9	108.4	Y375 M376 E377	Y375-R398 HydrophobicContact CD2-CG 3.93Å; Y375-R398 HydrophobicContact CG-CG 4.35Å; M376-R398 WeakPolarHBondContact O-CA 3.35Å; E377-R398 HydrophobicContact CB-CB 4.04Å; E377-R398 HydrophobicContact CB-CG 4.33Å; E377-R398 IonicContact OE1-CZ 3.69Å; E377-R398 IonicContact OE1-NE 3.82Å; E377-R398 IonicContact OE1-NH2 2.9Å; E377-R398 PolarHBondContact OE1-NH2 2.91Å; E377-R398 IonicContact OE2-CZ 3.19Å; E377-R398 IonicContact OE2-NE 2.79Å; E377-R398 PolarHBondContact OE2-NE 3.42Å; E377-R398 IonicContact OE2-NH2 2.76Å; E377-R398 PolarHBondContact OE2-NH2 3.29Å
399	F	98	Very high	94.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.3	174.9	58.7	-89.5	0	0	0	111	C277 V288 T290 Y308 W331 Y375 M376 I396 P397 M401	C277-F399 HydrophobicContact CB-CB 4.17Å; C277-F399 WeakPolarHBondContact SG-CB 3.44Å; V288-F399 HydrophobicContact CB-CB 4.45Å; V288-F399 HydrophobicContact CB-CD1 3.87Å; V288-F399 HydrophobicContact CB-CE1 4.24Å; V288-F399 HydrophobicContact CB-CG 4.15Å; V288-F399 HydrophobicContact CG1-CB 4.46Å; V288-F399 HydrophobicContact CG1-CD1 3.67Å; V288-F399 HydrophobicContact CG1-CD2 3.94Å; V288-F399 HydrophobicContact CG1-CE1 3.71Å; V288-F399 HydrophobicContact CG1-CE2 3.97Å; V288-F399 HydrophobicContact CG1-CG 3.78Å; V288-F399 HydrophobicContact CG1-CZ 3.86Å; V288-F399 HydrophobicContact CG2-CD1 3.74Å; V288-F399 HydrophobicContact CG2-CE1 3.9Å; T290-F399 HydrophobicContact CG2-CD2 3.6Å; T290-F399 HydrophobicContact CG2-CE2 4.02Å; Y308-F399 HydrophobicContact CG-CE2 4.43Å; Y308-F399 HydrophobicContact CG-CZ 4.37Å; W331-F399 AromaticContact CH2-CE1 3.72Å; W331-F399 HydrophobicContact CH2-CE1 3.72Å; W331-F399 AromaticContact CH2-CZ 3.96Å; W331-F399 HydrophobicContact CH2-CZ 3.96Å; W331-F399 AromaticContact CZ3-CE1 3.54Å; W331-F399 HydrophobicContact CZ3-CE1 3.54Å; W331-F399 AromaticContact CZ3-CZ 3.87Å; W331-F399 HydrophobicContact CZ3-CZ 3.87Å; Y375-F399 VanDerWaalsContact CA-O 3.24Å; Y375-F399 WeakPolarHBondContact CA-O 3.05Å; Y375-F399 VanDerWaalsContact CB-O 3.31Å; Y375-F399 WeakPolarHBondContact CB-O 3.28Å; M376-F399 HydrophobicContact CB-CD2 4.47Å; M376-F399 HydrophobicContact CB-CE1 3.89Å; M376-F399 HydrophobicContact CB-CE2 3.83Å; M376-F399 HydrophobicContact CB-CZ 3.51Å; M376-F399 HydrophobicContact CE-CZ 4.4Å; M376-F399 HydrophobicContact CG-CE2 4.22Å; M376-F399 HydrophobicContact CG-CZ 4.18Å; M376-F399 PolarHBondContact N-O 2.96Å; M376-F399 PolarHBondContact O-N 2.67Å; M376-F399 HydrophobicContact SD-CE2 3.87Å; M376-F399 HydrophobicContact SD-CZ 3.78Å; I396-F399 HydrophobicContact CG2-CE1 4.25Å; P397-F399 WeakPolarHBondContact O-CD1 3.44Å; P397-F399 PolarHBondContact O-N 2.74Å; F399-M401 HydrophobicContact CD2-CE 3.95Å; F399-M401 HydrophobicContact CD2-CG 4.48Å; F399-M401 HydrophobicContact CD2-SD 4.38Å; F399-M401 HydrophobicContact CE2-CE 3.61Å; F399-M401 HydrophobicContact CE2-SD 4.06Å
400	H	97.2	Very high	94.4	Very high	120 Å²	120	55.3 Å²	55.3	56%	0.556	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	145.6	-178.1	-68.7	-94.9	0	0	0	110.5	Y375	Y375-H400 AromaticContact CD1-CE1 3.87Å; Y375-H400 AromaticContact CG-CE1 3.98Å
401	M	97.4	Very high	93.8	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.5	174.4	-73.6	166	-72.9	0	0	107.5	T290 F306 T367 F369 S373 G374 M376 F399	T290-M401 HydrophobicContact CG2-CG 3.71Å; T290-M401 HydrophobicContact CG2-SD 4.12Å; F306-M401 HydrophobicContact CB-CB 4.47Å; F306-M401 HydrophobicContact CB-CG 4.23Å; F306-M401 HydrophobicContact CB-SD 3.54Å; F306-M401 VanDerWaalsContact CB-SD 3.54Å; F306-M401 HydrophobicContact CD1-CB 3.66Å; F306-M401 HydrophobicContact CD1-CG 4Å; F306-M401 HydrophobicContact CD1-SD 4.42Å; F306-M401 HydrophobicContact CD2-CB 4.18Å; F306-M401 HydrophobicContact CE1-CB 3.8Å; F306-M401 HydrophobicContact CE2-CB 4.32Å; F306-M401 HydrophobicContact CG-CB 3.84Å; F306-M401 HydrophobicContact CG-CG 4.11Å; F306-M401 HydrophobicContact CG-SD 3.96Å; F306-M401 HydrophobicContact CZ-CB 4.13Å; T367-M401 HydrophobicContact CG2-CE 3.92Å; T367-M401 HydrophobicContact CG2-SD 3.88Å; F369-M401 HydrophobicContact CE2-CB 4.12Å; F369-M401 HydrophobicContact CE2-CE 3.55Å; F369-M401 HydrophobicContact CE2-SD 4.13Å; F369-M401 HydrophobicContact CZ-CE 3.63Å; S373-M401 CarbonylContact C-O 3.57Å; S373-M401 WeakPolarHBondContact CA-O 3.41Å; S373-M401 VanDerWaalsContact CB-O 3.29Å; S373-M401 WeakPolarHBondContact CB-O 3.45Å; G374-M401 PolarHBondContact N-O 2.8Å; G374-M401 PolarHBondContact O-N 3.47Å; M376-M401 HydrophobicContact CB-CE 4.36Å; M376-M401 HydrophobicContact CG-CE 3.64Å; M376-M401 HydrophobicContact SD-CE 3.6Å; F399-M401 HydrophobicContact CD2-CE 3.95Å; F399-M401 HydrophobicContact CD2-CG 4.48Å; F399-M401 HydrophobicContact CD2-SD 4.38Å; F399-M401 HydrophobicContact CE2-CE 3.61Å; F399-M401 HydrophobicContact CE2-SD 4.06Å
402	A	95.9	Very high	93.2	Very high	68 Å²	68	46.2 Å²	46.2	56%	0.562	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	134.5	178.1	0	0	0	0	0	108.5	T372	T372-A402 WeakPolarHBondContact O-CA 3.27Å
403	C	94.3	Very high	92.4	Very high	19 Å²	19	50 Å²	50	13%	0.128	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-69.3	155	173.6	74.1	0	0	0	0	109.5	F292 Y304 F306 T372	F292-C403 HydrophobicContact CD2-CB 3.96Å; F292-C403 HydrophobicContact CE1-CB 4.43Å; F292-C403 HydrophobicContact CE2-CB 3.67Å; F292-C403 HydrophobicContact CG-CB 4.45Å; F292-C403 HydrophobicContact CZ-CB 3.92Å; Y304-C403 HydrophobicContact CD1-CB 3.7Å; Y304-C403 HydrophobicContact CE1-CB 4.09Å; F306-C403 HydrophobicContact CZ-CB 4.29Å; T372-C403 VanDerWaalsContact CB-SG 3.59Å; T372-C403 PolarHBondContact O-N 3.27Å
404	P	91.8	Very high	91.6	Very high	42 Å²	42	53.7 Å²	53.7	27%	0.273	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-55.7	164.6	165.9	-21.7	33.4	0	0	0	111.3	F292 F406	F292-P404 HydrophobicContact CD1-CG 3.86Å; F292-P404 HydrophobicContact CE1-CG 4.28Å; P404-F406 PolarHBondContact O-N 2.61Å
405	T	92.2	Very high	90.1	Very high	104 Å²	104	55.8 Å²	55.8	64%	0.638	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55	136.6	167.6	47.7	0	0	0	0	109.9	I240	I240-T405 PolarHBondContact N-O 2.99Å
406	F	91.4	Very high	88.2	Confident	72 Å²	72	55.2 Å²	55.2	32%	0.316	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	162.2	173.9	64.3	-85.3	0	0	0	110.3	M238 F239 V299 T372 P404 V408	M238-F406 CarbonylContact O-C 3.54Å; M238-F406 WeakPolarHBondContact O-CA 3.39Å; M238-F406 VanDerWaalsContact O-CB 3.31Å; M238-F406 WeakPolarHBondContact O-CB 3.48Å; F239-F406 HydrophobicContact CD1-CB 3.83Å; F239-F406 HydrophobicContact CE1-CB 4.18Å; V299-F406 HydrophobicContact CB-CD2 4.28Å; V299-F406 HydrophobicContact CB-CE2 4.44Å; V299-F406 HydrophobicContact CG1-CD2 3.69Å; V299-F406 HydrophobicContact CG1-CE2 3.43Å; V299-F406 VanDerWaalsContact CG1-CE2 3.43Å; V299-F406 HydrophobicContact CG1-CZ 4.17Å; V299-F406 HydrophobicContact CG2-CB 4.01Å; V299-F406 HydrophobicContact CG2-CD1 4.4Å; V299-F406 HydrophobicContact CG2-CD2 3.54Å; V299-F406 HydrophobicContact CG2-CE2 4.08Å; V299-F406 HydrophobicContact CG2-CG 3.72Å; T372-F406 HydrophobicContact CG2-CD1 4.49Å; T372-F406 HydrophobicContact CG2-CE1 3.56Å; T372-F406 HydrophobicContact CG2-CZ 4.17Å; P404-F406 PolarHBondContact O-N 2.61Å; F406-V408 HydrophobicContact CD2-CG2 4.15Å; F406-V408 HydrophobicContact CE2-CG2 3.76Å
407	R	88.9	Confident	86.3	Confident	71 Å²	71	59.3 Å²	59.3	27%	0.268	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120	175.7	-175	-176.9	-63.7	-82.1	-4.8	107.9	G215 N217 E220 M238 I240	G215-R407 WeakPolarHBondContact O-CD 3.2Å; G215-R407 PolarHBondContact O-NH1 2.87Å; G215-R407 VanDerWaalsContact O-NH1 3.08Å; N217-R407 PolarHBondContact ND2-NH2 3.32Å; N217-R407 VanDerWaalsContact ND2-NH2 3.15Å; E220-R407 IonicContact OE1-CZ 2.85Å; E220-R407 IonicContact OE1-NH2 3.27Å; E220-R407 PolarHBondContact OE1-NH2 2.89Å; E220-R407 IonicContact OE2-CZ 2.74Å; E220-R407 IonicContact OE2-NE 3.72Å; E220-R407 PolarHBondContact OE2-NE 2.89Å; E220-R407 IonicContact OE2-NH2 3.54Å; E220-R407 PolarHBondContact OE2-NH2 3.36Å; M238-R407 PolarHBondContact N-O 2.61Å; M238-R407 VanDerWaalsContact N-O 3.09Å; M238-R407 PolarHBondContact O-N 2.9Å; I240-R407 HydrophobicContact CD1-CB 4.16Å; I240-R407 HydrophobicContact CG1-CB 4.32Å
408	V	86.8	Confident	84.3	Confident	52 Å²	52	64.3 Å²	64.3	32%	0.315	35%	0.348	S	S	.	.			trans	-71.1	132.5	167.8	-174.4	0	0	0	0	107.9	D237 F406 R412 L413	D237-V408 VanDerWaalsContact OD1-CA 3.24Å; D237-V408 WeakPolarHBondContact OD1-CA 3.3Å; F406-V408 HydrophobicContact CD2-CG2 4.15Å; F406-V408 HydrophobicContact CE2-CG2 3.76Å; V408-R412 HydrophobicContact CG1-CB 4.31Å; V408-R412 HydrophobicContact CG1-CG 4.13Å; V408-L413 HydrophobicContact CB-CD2 4.5Å; V408-L413 HydrophobicContact CG1-CD2 3.93Å; V408-L413 HydrophobicContact CG1-CG 3.98Å
409	S	84.1	Confident	82.6	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.028	35%	0.353	C	S	.	.			trans	-67.2	148.3	-177.6	72.1	0	0	0	0	111.9	A234 A235 D237 A411 R412 L413	A234-S409 WeakPolarHBondContact O-CB 3.17Å; A234-S409 PolarHBondContact O-OG 3.38Å; A235-S409 WeakPolarHBondContact CA-OG 3.15Å; A235-S409 PolarHBondContact O-OG 2.88Å; D237-S409 PolarHBondContact OD1-N 3.33Å; S409-A411 VanDerWaalsContact C-N 3.32Å; S409-A411 PolarHBondContact O-N 3.21Å; S409-R412 PolarHBondContact O-N 3.07Å; S409-R412 WeakPolarHBondContact OG-CB 3.26Å; S409-R412 PolarHBondContact OG-N 2.83Å; S409-L413 WeakPolarHBondContact O-CG 3.4Å; S409-L413 PolarHBondContact O-N 3.44Å; S409-L413 VanDerWaalsContact O-N 3.11Å
410	I	83.5	Confident	80.7	Confident	73 Å²	73	66.2 Å²	66.2	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-41	177.9	-66.7	-178.4	0	0	0	110.6	R412 L413 E414	I410-R412 PolarHBondContact O-N 3.41Å; I410-L413 PolarHBondContact O-N 2.76Å; I410-E414 HydrophobicContact CG2-CG 4.11Å; I410-E414 WeakPolarHBondContact CG2-OE1 3.21Å; I410-E414 WeakPolarHBondContact O-CG 3.27Å; I410-E414 PolarHBondContact O-N 3.2Å
411	A	82.9	Confident	79	Confident	21 Å²	21	66.2 Å²	66.2	17%	0.174	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-34.3	179.5	0	0	0	0	0	111.6	A234 A235 S409 E414 M415	A234-A411 HydrophobicContact CB-CB 3.88Å; A234-A411 WeakPolarHBondContact O-CB 3.39Å; A235-A411 HydrophobicContact CB-CB 4.49Å; S409-A411 VanDerWaalsContact C-N 3.32Å; S409-A411 PolarHBondContact O-N 3.21Å; A411-E414 PolarHBondContact O-N 2.83Å; A411-M415 WeakPolarHBondContact O-CG 3.47Å; A411-M415 PolarHBondContact O-N 3.44Å
412	R	83.4	Confident	77.3	Confident	22 Å²	22	72.1 Å²	72.1	8%	0.083	39%	0.388	C	S	.	.	H	α-helix	trans	-69.1	-42.8	173.6	-178.8	171.1	-66.4	-77.5	2.1	112.1	D227 A235 D237 H300 V408 S409 I410 E414 M415 Y420	D227-R412 IonicContact OD1-NH2 3.19Å; D227-R412 IonicContact OD2-CZ 2.72Å; D227-R412 IonicContact OD2-NH2 3.99Å; D227-R412 PolarHBondContact OD2-NH2 3.07Å; A235-R412 HydrophobicContact CB-CB 4.38Å; A235-R412 PolarHBondContact O-NE 3.14Å; A235-R412 PolarHBondContact O-NH2 2.88Å; D237-R412 IonicContact OD1-NE 2.76Å; D237-R412 IonicContact OD2-NE 3.81Å; H300-R412 PolarHBondContact CD2-NH1 2.84Å; H300-R412 PolarHBondContact NE2-NH1 2.85Å; V408-R412 HydrophobicContact CG1-CB 4.31Å; V408-R412 HydrophobicContact CG1-CG 4.13Å; S409-R412 PolarHBondContact O-N 3.07Å; S409-R412 WeakPolarHBondContact OG-CB 3.26Å; S409-R412 PolarHBondContact OG-N 2.83Å; I410-R412 PolarHBondContact O-N 3.41Å; R412-E414 PolarHBondContact O-N 2.87Å; R412-M415 PolarHBondContact O-N 3.41Å; R412-Y420 WeakPolarHBondContact CA-OH 3.07Å; R412-Y420 HydrophobicContact CG-CE1 4.49Å; R412-Y420 WeakPolarHBondContact CG-OH 3.45Å; R412-Y420 PolarHBondContact O-OH 3.36Å
413	L	81.9	Confident	75.8	Confident	127 Å²	127	70.9 Å²	70.9	67%	0.665	37%	0.371	S	S	*	.	H	α-helix	trans	-65.6	-22.5	176.7	-66.2	172.2	0	0	0	113.7	V408 S409 I410	V408-L413 HydrophobicContact CB-CD2 4.5Å; V408-L413 HydrophobicContact CG1-CD2 3.93Å; V408-L413 HydrophobicContact CG1-CG 3.98Å; S409-L413 WeakPolarHBondContact O-CG 3.4Å; S409-L413 PolarHBondContact O-N 3.44Å; S409-L413 VanDerWaalsContact O-N 3.11Å; I410-L413 PolarHBondContact O-N 2.76Å
414	E	80.8	Confident	74.3	Confident	154 Å²	154	74.3 Å²	74.3	72%	0.72	39%	0.385	S	S	*	.	H	α-helix	trans	-89.8	-20.2	-179.6	-72.5	177.7	171.4	0	0	113.8	I410 A411 R412	I410-E414 HydrophobicContact CG2-CG 4.11Å; I410-E414 WeakPolarHBondContact CG2-OE1 3.21Å; I410-E414 WeakPolarHBondContact O-CG 3.27Å; I410-E414 PolarHBondContact O-N 3.2Å; A411-E414 PolarHBondContact O-N 2.83Å; R412-E414 PolarHBondContact O-N 2.87Å
415	M	68.3	Low	73	Confident	45 Å²	45	78.1 Å²	78.1	22%	0.222	40%	0.4	C	S	.	.	S	Bend	trans	-69.2	135.5	171.4	-72.5	168.9	-174.2	0	0	109.3	N232 A235 A411 R412 Y420 M423	N232-M415 HydrophobicContact CB-CE 3.97Å; A235-M415 HydrophobicContact CB-CE 4.01Å; A411-M415 WeakPolarHBondContact O-CG 3.47Å; A411-M415 PolarHBondContact O-N 3.44Å; R412-M415 PolarHBondContact O-N 3.41Å; M415-Y420 HydrophobicContact CB-CD2 4.24Å; M415-Y420 HydrophobicContact CB-CE2 3.34Å; M415-Y420 VanDerWaalsContact CB-CZ 3.49Å; M415-Y420 VanDerWaalsContact CB-OH 3.23Å; M415-Y420 WeakPolarHBondContact CB-OH 3.31Å; M415-Y420 WeakPolarHBondContact O-CE2 3.42Å; M415-Y420 HydrophobicContact SD-CE1 4.22Å; M415-Y420 PolarHBondContact SD-OH 2.8Å; M415-M423 HydrophobicContact SD-CE 4.46Å
416	G	59.1	Low	71.6	Confident	30 Å²	30	77 Å²	77	31%	0.309	39%	0.387	S	S	.	.			trans	-75.1	154.3	-178.9	0	0	0	0	0	112.1	D418 E419 Y420	G416-D418 PolarHBondContact O-N 3.25Å; G416-E419 PolarHBondContact O-N 3.46Å; G416-E419 VanDerWaalsContact O-N 3.15Å; G416-Y420 WeakPolarHBondContact O-CD2 3.3Å; G416-Y420 PolarHBondContact O-N 3.04Å
417	P	57.5	Low	70.3	Confident	93 Å²	93	76.5 Å²	76.5	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-56.2	-31.9	179.1	19.5	-29.4	0	0	0	113.6	Y420 E421	P417-Y420 WeakPolarHBondContact O-CB 3.37Å; P417-Y420 PolarHBondContact O-N 3.27Å; P417-E421 PolarHBondContact O-N 2.91Å; P417-E421 VanDerWaalsContact O-N 3.16Å
418	D	57.2	Low	69.1	Low	118 Å²	118	79.7 Å²	79.7	63%	0.631	40%	0.403	S	S	*	.	H	α-helix	trans	-69.9	-35.2	180	-52.5	-18.5	0	0	0	112.6	G416 Y420 E422	G416-D418 PolarHBondContact O-N 3.25Å; D418-Y420 PolarHBondContact O-N 3.37Å; D418-E422 WeakPolarHBondContact O-CG 3.42Å; D418-E422 PolarHBondContact O-N 2.73Å
419	E	61.3	Low	68	Low	117 Å²	117	83.5 Å²	83.5	55%	0.547	42%	0.418	S	S	.	.	H	α-helix	trans	-71.7	-18.7	175.7	-70.3	179.6	175.3	0	0	111.9	G416 M423	G416-E419 PolarHBondContact O-N 3.46Å; G416-E419 VanDerWaalsContact O-N 3.15Å; E419-M423 WeakPolarHBondContact O-CE 3.43Å
420	Y	60	Low	67	Low	36 Å²	36	88.6 Å²	88.6	14%	0.141	44%	0.441	C	S	.	.	H	α-helix	trans	-82	-46.1	175.2	-79.8	-68.3	0	0	0	112.6	R412 M415 G416 P417 D418 E422 M423 E424	R412-Y420 WeakPolarHBondContact CA-OH 3.07Å; R412-Y420 HydrophobicContact CG-CE1 4.49Å; R412-Y420 WeakPolarHBondContact CG-OH 3.45Å; R412-Y420 PolarHBondContact O-OH 3.36Å; M415-Y420 HydrophobicContact CB-CD2 4.24Å; M415-Y420 HydrophobicContact CB-CE2 3.34Å; M415-Y420 VanDerWaalsContact CB-CZ 3.49Å; M415-Y420 VanDerWaalsContact CB-OH 3.23Å; M415-Y420 WeakPolarHBondContact CB-OH 3.31Å; M415-Y420 WeakPolarHBondContact O-CE2 3.42Å; M415-Y420 HydrophobicContact SD-CE1 4.22Å; M415-Y420 PolarHBondContact SD-OH 2.8Å; G416-Y420 WeakPolarHBondContact O-CD2 3.3Å; G416-Y420 PolarHBondContact O-N 3.04Å; P417-Y420 WeakPolarHBondContact O-CB 3.37Å; P417-Y420 PolarHBondContact O-N 3.27Å; D418-Y420 PolarHBondContact O-N 3.37Å; Y420-E422 VanDerWaalsContact C-N 3.25Å; Y420-E422 PolarHBondContact O-N 2.86Å; Y420-M423 HydrophobicContact CD1-CE 3.94Å; Y420-M423 HydrophobicContact CE1-CE 4.05Å; Y420-M423 PolarHBondContact O-N 3Å; Y420-M423 VanDerWaalsContact O-N 3.09Å; Y420-E424 PolarHBondContact O-N 2.69Å
421	E	60.6	Low	66	Low	121 Å²	121	91.6 Å²	91.6	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-59	-40.9	177	-72.3	-179	178.7	0	0	110.3	P417 M423 E424 E425	P417-E421 PolarHBondContact O-N 2.91Å; P417-E421 VanDerWaalsContact O-N 3.16Å; E421-M423 VanDerWaalsContact C-N 3.34Å; E421-M423 PolarHBondContact O-N 3.11Å; E421-E424 PolarHBondContact O-N 3.37Å; E421-E425 WeakPolarHBondContact O-CB 3.37Å; E421-E425 WeakPolarHBondContact O-CG 3.35Å; E421-E425 PolarHBondContact O-N 3.34Å
422	E	62.3	Low	64.9	Low	125 Å²	125	97.4 Å²	97.4	58%	0.584	48%	0.477	S	S	*	.	H	α-helix	trans	-62.8	-34.6	174.7	-71.8	179.8	178.4	0	0	113.3	D418 Y420 E426	D418-E422 WeakPolarHBondContact O-CG 3.42Å; D418-E422 PolarHBondContact O-N 2.73Å; Y420-E422 VanDerWaalsContact C-N 3.25Å; Y420-E422 PolarHBondContact O-N 2.86Å; E422-E426 WeakPolarHBondContact O-CG 3.49Å; E422-E426 PolarHBondContact O-N 3.44Å; E422-E426 VanDerWaalsContact O-N 3.14Å
423	M	63.3	Low	63.8	Low	42 Å²	42	103.1 Å²	103.1	21%	0.207	51%	0.505	C	S	.	.	H	α-helix	trans	-77.7	-34.4	177.1	-79.3	-169.6	-64.4	0	0	113.4	M415 E419 Y420 E421 E427	M415-M423 HydrophobicContact SD-CE 4.46Å; E419-M423 WeakPolarHBondContact O-CE 3.43Å; Y420-M423 HydrophobicContact CD1-CE 3.94Å; Y420-M423 HydrophobicContact CE1-CE 4.05Å; Y420-M423 PolarHBondContact O-N 3Å; Y420-M423 VanDerWaalsContact O-N 3.09Å; E421-M423 VanDerWaalsContact C-N 3.34Å; E421-M423 PolarHBondContact O-N 3.11Å; M423-E427 PolarHBondContact O-N 3.38Å
424	E	63.9	Low	62.6	Low	91 Å²	91	102.6 Å²	102.6	43%	0.425	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-41.2	173.8	-77.9	-175.7	179.3	0	0	110.5	M229 H300 Y420 E421 E427 E428	M229-E424 HydrophobicContact CE-CG 3.92Å; H300-E424 IonicContact CE1-OE1 3.72Å; Y420-E424 PolarHBondContact O-N 2.69Å; E421-E424 PolarHBondContact O-N 3.37Å; E424-E427 PolarHBondContact O-N 3.24Å; E424-E428 PolarHBondContact O-N 2.95Å; E424-E428 VanDerWaalsContact O-N 3.1Å
425	E	63.8	Low	61.4	Low	123 Å²	123	102.5 Å²	102.5	58%	0.575	50%	0.502	S	S	*	.	H	α-helix	trans	-63.8	-41	174.9	-72.6	-179.2	179.3	0	0	112.2	E421 E427 E428 E429	E421-E425 WeakPolarHBondContact O-CB 3.37Å; E421-E425 WeakPolarHBondContact O-CG 3.35Å; E421-E425 PolarHBondContact O-N 3.34Å; E425-E427 PolarHBondContact O-N 3.29Å; E425-E428 PolarHBondContact O-N 3.09Å; E425-E429 WeakPolarHBondContact O-CG 3.41Å; E425-E429 PolarHBondContact O-N 3.34Å; E425-E429 VanDerWaalsContact O-N 3.09Å
426	E	63.7	Low	60.7	Low	81 Å²	81	105.8 Å²	105.8	38%	0.379	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-36.4	176.6	-79.6	-179.9	-179.8	0	0	113	R231 E422 E430	R231-E426 IonicContact CZ-OE2 3.98Å; R231-E426 IonicContact NH1-OE2 2.63Å; R231-E426 PolarHBondContact NH1-OE2 2.89Å; R231-E426 IonicContact NH2-OE2 2.68Å; R231-E426 PolarHBondContact NH2-OE2 3.27Å; E422-E426 WeakPolarHBondContact O-CG 3.49Å; E422-E426 PolarHBondContact O-N 3.44Å; E422-E426 VanDerWaalsContact O-N 3.14Å; E426-E430 WeakPolarHBondContact O-CG 3.44Å; E426-E430 PolarHBondContact O-N 2.92Å
427	E	63.3	Low	60.2	Low	60 Å²	60	110.2 Å²	110.2	28%	0.28	54%	0.537	S	S	.	.	H	α-helix	trans	-74.9	-36.8	176.1	-85.8	-168.2	-177.5	0	0	112.9	M229 M423 E424 E425 E429 E430 E431	M229-E427 VanDerWaalsContact CA-OE1 3.28Å; M229-E427 WeakPolarHBondContact CA-OE1 3.48Å; M229-E427 HydrophobicContact CE-CG 4.36Å; M229-E427 WeakPolarHBondContact CE-OE2 3.43Å; M229-E427 WeakPolarHBondContact CG-OE1 3.44Å; M229-E427 VanDerWaalsContact CG-OE2 3.31Å; M229-E427 WeakPolarHBondContact CG-OE2 3.28Å; M423-E427 PolarHBondContact O-N 3.38Å; E424-E427 PolarHBondContact O-N 3.24Å; E425-E427 PolarHBondContact O-N 3.29Å; E427-E429 PolarHBondContact O-N 3.42Å; E427-E430 PolarHBondContact O-N 3.35Å; E427-E431 PolarHBondContact O-N 3.3Å
428	E	62.8	Low	59.8	Low	138 Å²	138	113.3 Å²	113.3	65%	0.645	55%	0.549	S	S	*	.	H	α-helix	trans	-61.1	-37.2	172.7	-73.7	-172.3	175.2	0	0	110.8	E424 E425 E432	E424-E428 PolarHBondContact O-N 2.95Å; E424-E428 VanDerWaalsContact O-N 3.1Å; E425-E428 PolarHBondContact O-N 3.09Å; E428-E432 WeakPolarHBondContact O-CG 3.14Å; E428-E432 PolarHBondContact O-N 3.04Å; E428-E432 VanDerWaalsContact O-N 3.11Å
429	E	65	Low	59.4	Low	132 Å²	132	112.1 Å²	112.1	62%	0.617	55%	0.55	S	S	*	.	H	α-helix	trans	-67.1	-42	172.5	-72	-173.4	174.6	0	0	112.6	E425 E427 E432 E433	E425-E429 WeakPolarHBondContact O-CG 3.41Å; E425-E429 PolarHBondContact O-N 3.34Å; E425-E429 VanDerWaalsContact O-N 3.09Å; E427-E429 PolarHBondContact O-N 3.42Å; E429-E432 PolarHBondContact O-N 2.89Å; E429-E433 WeakPolarHBondContact O-CG 3.46Å; E429-E433 PolarHBondContact O-N 3.09Å
430	E	63.2	Low	58.9	Low	112 Å²	112	109.2 Å²	109.2	52%	0.523	55%	0.546	S	S	.	.	H	α-helix	trans	-66.3	-40.8	176.6	-76.1	-175.2	-174.2	0	0	112.6	E426 E427 E433 D434	E426-E430 WeakPolarHBondContact O-CG 3.44Å; E426-E430 PolarHBondContact O-N 2.92Å; E427-E430 PolarHBondContact O-N 3.35Å; E430-E433 PolarHBondContact O-N 2.93Å; E430-D434 PolarHBondContact O-N 3.35Å
431	E	61.5	Low	58.2	Low	136 Å²	136	114.9 Å²	114.9	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-65.8	-36.7	175.4	-73.7	-165	168.1	0	0	111.8	E427 E435	E427-E431 PolarHBondContact O-N 3.3Å; E431-E435 WeakPolarHBondContact O-CG 3.5Å; E431-E435 PolarHBondContact O-N 2.95Å; E431-E435 VanDerWaalsContact O-N 3.1Å
432	E	60.6	Low	57.2	Low	142 Å²	142	118.4 Å²	118.4	66%	0.664	60%	0.597	S	S	*	*	H	α-helix	trans	-68.6	-38.2	173.1	-75.5	-162.2	176.8	0	0	112.3	E428 E429 E435 D436	E428-E432 WeakPolarHBondContact O-CG 3.14Å; E428-E432 PolarHBondContact O-N 3.04Å; E428-E432 VanDerWaalsContact O-N 3.11Å; E429-E432 PolarHBondContact O-N 2.89Å; E432-E435 PolarHBondContact O-N 3.38Å; E432-D436 PolarHBondContact O-N 3.07Å; E432-D436 VanDerWaalsContact O-N 3.09Å
433	E	60.2	Low	55.9	Low	142 Å²	142	119.5 Å²	119.5	66%	0.664	61%	0.607	S	S	*	*	H	α-helix	trans	-66.3	-39.5	175.5	-76.6	-169.2	172.2	0	0	112.5	E429 E430 D436 D437	E429-E433 WeakPolarHBondContact O-CG 3.46Å; E429-E433 PolarHBondContact O-N 3.09Å; E430-E433 PolarHBondContact O-N 2.93Å; E433-D436 PolarHBondContact O-N 2.93Å; E433-D437 PolarHBondContact O-N 3.37Å
434	D	56.2	Low	55.1	Low	116 Å²	116	126.8 Å²	126.8	62%	0.62	64%	0.641	S	S	*	*	H	α-helix	trans	-67.9	-35.3	175.7	-83.3	-20.3	0	0	0	112.1	E430 D436 D438	E430-D434 PolarHBondContact O-N 3.35Å; D434-D436 VanDerWaalsContact C-N 3.33Å; D434-D438 PolarHBondContact O-N 3.02Å
435	E	55.8	Low	53.9	Low	153 Å²	153	127 Å²	127	72%	0.715	65%	0.652	S	S	*	*	H	α-helix	trans	-68.7	-30.2	173	-75.8	-162.9	168	0	0	112.7	E431 E432	E431-E435 WeakPolarHBondContact O-CG 3.5Å; E431-E435 PolarHBondContact O-N 2.95Å; E431-E435 VanDerWaalsContact O-N 3.1Å; E432-E435 PolarHBondContact O-N 3.38Å
436	D	52.9	Low	52.6	Low	114 Å²	114	128 Å²	128	61%	0.61	66%	0.662	S	S	*	*	H	α-helix	trans	-79.7	-32.5	177.2	-86.7	-18.1	0	0	0	113.1	E432 E433 D434 S439	E432-D436 PolarHBondContact O-N 3.07Å; E432-D436 VanDerWaalsContact O-N 3.09Å; E433-D436 PolarHBondContact O-N 2.93Å; D434-D436 VanDerWaalsContact C-N 3.33Å; D436-S439 WeakPolarHBondContact O-CB 3.35Å; D436-S439 PolarHBondContact O-N 3.02Å; D436-S439 PolarHBondContact O-OG 2.85Å
437	D	49.3	Very low	51.5	Low	122 Å²	122	133.3 Å²	133.3	65%	0.652	69%	0.686	S	S	*	*	H	α-helix	trans	-73.2	-34.4	178	-153.4	27.8	0	0	0	112.1	E433 S439 A440	E433-D437 PolarHBondContact O-N 3.37Å; D437-S439 PolarHBondContact O-N 3.32Å; D437-S439 VanDerWaalsContact O-N 3.13Å; D437-A440 PolarHBondContact O-N 3.21Å; D437-A440 VanDerWaalsContact O-N 3.08Å
438	D	49.1	Very low	50.2	Low	159 Å²	159	137.6 Å²	137.6	85%	0.85	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-11.7	170.9	-97.1	-9.3	0	0	0	112.9	D434	D434-D438 PolarHBondContact O-N 3.02Å
439	S	49.6	Very low	48.9	Very low	92 Å²	92	137.4 Å²	137.4	64%	0.643	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-8.5	174.7	87.7	0	0	0	0	113.8	D436 D437	D436-S439 WeakPolarHBondContact O-CB 3.35Å; D436-S439 PolarHBondContact O-N 3.02Å; D436-S439 PolarHBondContact O-OG 2.85Å; D437-S439 PolarHBondContact O-N 3.32Å; D437-S439 VanDerWaalsContact O-N 3.13Å
440	A	49.6	Very low	47.6	Very low	56 Å²	56	137.3 Å²	137.3	46%	0.463	71%	0.714	S	S	.	*	S	Bend	trans	-129	52.8	-169.4	0	0	0	0	0	114.2	D437	D437-A440 PolarHBondContact O-N 3.21Å; D437-A440 VanDerWaalsContact O-N 3.08Å
441	D	45	Very low	46.3	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	72%	0.717	S	S	*	*			trans	-179.2	85.3	142.2	-92.8	-22.6	0	0	0	110.8
442	M	39.9	Very low	44.8	Very low	196 Å²	196	139 Å²	139	97%	0.966	72%	0.722	S	S	*	*			trans	-98	82.2	153.5	-83.8	-161.1	-176.9	0	0	108.7
443	D	35.9	Very low	43.6	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	73%	0.733	S	S	*	*			trans	-99.7	116.3	156.8	-111.7	-12.6	0	0	0	108.7	S445	D443-S445 PolarHBondContact O-N 3.35Å
444	E	45.4	Very low	42.2	Very low	195 Å²	195	145.9 Å²	145.9	91%	0.911	74%	0.736	S	S	*	*			trans	-68	85.1	-178.7	-71.2	-178.8	154.4	0	0	111.8
445	S	39	Very low	41.2	Very low	94 Å²	94	148.9 Å²	148.9	66%	0.657	74%	0.739	S	S	*	*			trans	-172.9	105.9	151	54.9	0	0	0	0	109.8	D443	D443-S445 PolarHBondContact O-N 3.35Å
446	D	36.8	Very low	40.2	Very low	146 Å²	146	152.5 Å²	152.5	78%	0.781	75%	0.746	S	S	*	*			trans	169.6	35.5	146.7	-82.4	-14.2	0	0	0	112.6	D448	D446-D448 VanDerWaalsContact C-N 3.31Å; D446-D448 PolarHBondContact O-N 3.25Å
447	E	40.3	Very low	39.2	Very low	192 Å²	192	153 Å²	153	90%	0.897	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-5.1	179.7	-77.8	-162.5	149.6	0	0	115.2
448	D	36.6	Very low	38.2	Very low	149 Å²	149	156.5 Å²	156.5	80%	0.797	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-12.9	-171.2	-80.5	-27.5	0	0	0	115.8	D446	D446-D448 VanDerWaalsContact C-N 3.31Å; D446-D448 PolarHBondContact O-N 3.25Å
449	D	35.1	Very low	37.1	Very low	135 Å²	135	157.1 Å²	157.1	72%	0.722	77%	0.765	S	S	*	*	S	Bend	trans	-102.5	-14.2	-171.3	-88.4	-14	0	0	0	115.7
450	E	36.6	Very low	36.1	Very low	130 Å²	130	158 Å²	158	61%	0.607	77%	0.766	S	S	*	*	S	Bend	trans	-84.3	-22.1	177.7	-93.4	-119.6	142.1	0	0	113.8	R454	E450-R454 IonicContact OE2-CZ 3.78Å; E450-R454 IonicContact OE2-NH1 3.58Å; E450-R454 PolarHBondContact OE2-NH1 2.96Å; E450-R454 IonicContact OE2-NH2 3.85Å
451	E	36.4	Very low	34.9	Very low	123 Å²	123	161.7 Å²	161.7	58%	0.575	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-23.3	-175.1	-143.4	-164.2	150.9	0	0	113	R455	E451-R455 IonicContact OE1-CZ 2.81Å; E451-R455 IonicContact OE1-NE 2.7Å; E451-R455 IonicContact OE1-NH2 3.2Å; E451-R455 PolarHBondContact OE1-NH2 3.25Å; E451-R455 IonicContact OE2-NH2 3.46Å
452	E	31.5	Very low	34.2	Very low	161 Å²	161	161.1 Å²	161.1	75%	0.752	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-24.2	-177.4	-145.8	179.3	-166.5	0	0	112.9
453	R	33.7	Very low	33.6	Very low	237 Å²	237	163 Å²	163	89%	0.894	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-22.6	-177.7	-125.1	178.8	175.2	122.5	-4.6	114.2
454	R	32.3	Very low	33.1	Very low	190 Å²	190	167.7 Å²	167.7	72%	0.717	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-2.3	178.4	-74.8	-175.1	177	103.7	-3.9	114.4	E450 R456	E450-R454 IonicContact OE2-CZ 3.78Å; E450-R454 IonicContact OE2-NH1 3.58Å; E450-R454 PolarHBondContact OE2-NH1 2.96Å; E450-R454 IonicContact OE2-NH2 3.85Å; R454-R456 PolarHBondContact O-N 3.12Å
455	R	35.2	Very low	32.3	Very low	180 Å²	180	169.3 Å²	169.3	68%	0.679	78%	0.782	S	S	*	*			trans	-89.4	13	-177	-78	-174.1	-176	174.5	6.2	116.1	E451	E451-R455 IonicContact OE1-CZ 2.81Å; E451-R455 IonicContact OE1-NE 2.7Å; E451-R455 IonicContact OE1-NH2 3.2Å; E451-R455 PolarHBondContact OE1-NH2 3.25Å; E451-R455 IonicContact OE2-NH2 3.46Å
456	R	34.3	Very low	31.6	Very low	229 Å²	229	177.1 Å²	177.1	86%	0.864	80%	0.797	S	S	*	*	S	Bend	trans	-119.6	97	168.6	-64	-171.8	-157.4	-178.4	7.7	109.4	R454	R454-R456 PolarHBondContact O-N 3.12Å
457	V	31.6	Very low	31.3	Very low	123 Å²	123	175 Å²	175	75%	0.745	79%	0.793	S	S	*	*	S	Bend	trans	154.4	107.7	139.8	166.1	0	0	0	0	109.3
458	F	29.1	Very low	30.7	Very low	197 Å²	197	170.9 Å²	170.9	86%	0.864	79%	0.785	S	S	*	*			trans	75.1	104.5	169.9	-60.8	-64.5	0	0	0	120.8
459	D	25	Very low	30.2	Very low	171 Å²	171	175.2 Å²	175.2	91%	0.914	79%	0.79	S	S	*	*			trans	-66.8	118.1	161.2	-90.6	-43.8	0	0	0	112.2
460	V	28.9	Very low	29.9	Very low	110 Å²	110	175.4 Å²	175.4	67%	0.667	79%	0.791	S	S	*	*			trans	-141	128.2	149.6	-179.7	0	0	0	0	107	I462	V460-I462 PolarHBondContact O-N 2.72Å
461	P	25.1	Very low	29.7	Very low	134 Å²	134	180.2 Å²	180.2	87%	0.87	81%	0.81	S	S	*	*			trans	-77.3	97.9	-173.6	29.2	-31.3	0	0	0	110.9
462	I	29.3	Very low	29.4	Very low	143 Å²	143	183.1 Å²	183.1	73%	0.733	82%	0.821	S	S	*	*			trans	-102.6	115.4	167.5	-60.8	175.6	0	0	0	107.7	V460 R464	V460-I462 PolarHBondContact O-N 2.72Å; I462-R464 PolarHBondContact O-N 3.44Å
463	R	27.4	Very low	29.3	Very low	237 Å²	237	184.2 Å²	184.2	89%	0.894	83%	0.825	S	S	*	*			trans	-64.2	104.1	172.4	-83.8	-174.8	171.1	-172.8	-2.5	109	R465	R463-R465 PolarHBondContact O-N 2.81Å
464	R	24.7	Very low	29	Very low	245 Å²	245	181.3 Å²	181.3	93%	0.925	82%	0.821	S	S	*	*			trans	-63.1	123.6	167.6	-71.4	-178.5	173.5	-176.2	-3.3	109.3	I462	I462-R464 PolarHBondContact O-N 3.44Å
465	R	29.6	Very low	28.9	Very low	230 Å²	230	180.8 Å²	180.8	87%	0.868	83%	0.827	S	S	*	*			trans	-124.9	117.4	158.2	-82.1	-173	167.9	-176	-4.7	107.4	R463 C467	R463-R465 PolarHBondContact O-N 2.81Å; R465-C467 PolarHBondContact O-N 3.21Å
466	R	23.5	Very low	28.5	Very low	258 Å²	258	180.8 Å²	180.8	97%	0.974	84%	0.837	S	S	*	*			trans	-59.7	126.7	169.2	-82	178.6	167	174	-4.5	108
467	C	31.2	Very low	28.1	Very low	102 Å²	102	177.6 Å²	177.6	69%	0.689	84%	0.835	S	S	*	*			trans	-114.4	114.3	165.6	-155	0	0	0	0	106.3	R465	R465-C467 PolarHBondContact O-N 3.21Å
468	S	26.7	Very low	27.8	Very low	105 Å²	105	181.5 Å²	181.5	73%	0.734	84%	0.841	S	S	*	*			trans	-66.5	144.1	169.6	43.9	0	0	0	0	109.6	L470	S468-L470 PolarHBondContact O-N 2.77Å
469	R	27	Very low	27.7	Very low	240 Å²	240	180.3 Å²	180.3	91%	0.906	84%	0.839	S	S	*	*			trans	-16.9	114.1	174.8	-67.2	178.6	175.2	178.3	-3.2	113.2	F471	R469-F471 PolarHBondContact O-N 3.49Å
470	L	29.7	Very low	28	Very low	139 Å²	139	181.1 Å²	181.1	73%	0.728	83%	0.833	S	S	*	*			trans	-86.7	100	172.5	-79.1	161.6	0	0	0	108	S468	S468-L470 PolarHBondContact O-N 2.77Å
471	F	32.3	Very low	27.9	Very low	230 Å²	230	187.5 Å²	187.5	100%	1.009	85%	0.848	S	S	*	*			trans	-113.2	0	144.8	-73.4	-77.4	0	0	0	106.8	R469	R469-F471 PolarHBondContact O-N 3.49Å

Retrieved 471 of 471 residues in 192.3 ms (Link to these results)

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