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Gigaxonin

Probable cytoskeletal component that directly or indirectly plays an important role in neurofilament architecture. May act as a substrate-specific adapter of an E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Controls degradation of TBCB. Controls degradation of MAP1B and MAP1S, and is critical for neuronal maintenance and survival.

AlphaFold DB , UniProt , Accession Q9H2C0, Species HUMAN (Homo sapiens, Human), Gene GAN, Length 597 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	40.9	Very low	73	Confident	238 Å²	238	125.5 Å²	125.5	100%	1.172	79%	0.785	S	S	*	*				0	123.6	0	-77.9	178.6	-106.5	0	0	106.1	E3	M1-E3 PolarHBondContact O-N 3.2Å; M1-E3 VanDerWaalsContact O-N 3.12Å
2	A	51.9	Low	74.5	Confident	104 Å²	104	124.5 Å²	124.5	86%	0.86	76%	0.763	S	S	*	*			trans	-64.2	112.5	171.8	0	0	0	0	0	106.8	G4	A2-G4 PolarHBondContact O-N 3.4Å; A2-G4 VanDerWaalsContact O-N 3.1Å
3	E	59.5	Low	75.7	Confident	191 Å²	191	119.5 Å²	119.5	89%	0.893	74%	0.743	S	S	*	*			trans	-55.9	116.8	171	-73.4	177.9	162.2	0	0	107	M1 S5	M1-E3 PolarHBondContact O-N 3.2Å; M1-E3 VanDerWaalsContact O-N 3.12Å; E3-S5 PolarHBondContact O-N 3.13Å
4	G	63.6	Low	76.6	Confident	73 Å²	73	114.4 Å²	114.4	75%	0.753	72%	0.717	S	S	*	*			trans	-58.5	127.7	179.1	0	0	0	0	0	109	A2 A6	A2-G4 PolarHBondContact O-N 3.4Å; A2-G4 VanDerWaalsContact O-N 3.1Å; G4-A6 PolarHBondContact O-N 3.3Å
5	S	76.7	Confident	77.6	Confident	106 Å²	106	113.4 Å²	113.4	74%	0.741	70%	0.695	S	S	*	*			trans	-62.6	109.9	170.4	57.1	0	0	0	0	108.4	E3 V7	E3-S5 PolarHBondContact O-N 3.13Å; S5-V7 PolarHBondContact O-N 3.5Å
6	A	79.3	Confident	78.5	Confident	105 Å²	105	111.8 Å²	111.8	87%	0.868	68%	0.68	S	S	*	*			trans	-67.4	122.9	169.1	0	0	0	0	0	108.9	G4	G4-A6 PolarHBondContact O-N 3.3Å
7	V	85.3	Confident	79.2	Confident	138 Å²	138	109.1 Å²	109.1	84%	0.836	66%	0.66	S	S	*	*			trans	-103.4	137.5	171.8	-67.4	0	0	0	0	108.9	S5	S5-V7 PolarHBondContact O-N 3.5Å
8	S	83.6	Confident	79.8	Confident	112 Å²	112	111.8 Å²	111.8	78%	0.783	66%	0.657	S	S	*	*			trans	-117.7	139.4	-180	-180	0	0	0	0	109.9
9	D	86.4	Confident	80.4	Confident	79 Å²	79	108.1 Å²	108.1	42%	0.422	64%	0.64	S	S	.	*			trans	-111.6	97.9	168.8	-178.5	-13.4	0	0	0	108.9	Q11 H12 R15	D9-Q11 PolarHBondContact O-N 3.31Å; D9-Q11 WeakPolarHBondContact OD1-CB 3.29Å; D9-Q11 PolarHBondContact OD1-N 3.39Å; D9-H12 HydrophobicContact CB-CB 4.28Å; D9-H12 WeakPolarHBondContact O-CB 3.39Å; D9-H12 PolarHBondContact O-N 3.47Å; D9-H12 PolarHBondContact OD1-N 3.19Å; D9-R15 IonicContact OD1-NH1 3.88Å; D9-R15 PolarHBondContact OD1-NH1 3.34Å; D9-R15 IonicContact OD1-NH2 3.54Å; D9-R15 IonicContact OD2-CZ 2.81Å; D9-R15 IonicContact OD2-NH1 3.96Å; D9-R15 PolarHBondContact OD2-NH1 2.95Å; D9-R15 IonicContact OD2-NH2 3.19Å; D9-R15 PolarHBondContact OD2-NH2 3.17Å
10	P	84.4	Confident	80.9	Confident	116 Å²	116	104.7 Å²	104.7	75%	0.753	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-20	-176.4	-24.5	34.2	0	0	0	114.1
11	Q	90.8	Very high	81.3	Confident	118 Å²	118	101.8 Å²	101.8	55%	0.551	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-8.8	-178.1	-66.2	-179.5	10.5	0	0	112.9	D9 A13 A14 R15	D9-Q11 PolarHBondContact O-N 3.31Å; D9-Q11 WeakPolarHBondContact OD1-CB 3.29Å; D9-Q11 PolarHBondContact OD1-N 3.39Å; Q11-A13 PolarHBondContact O-N 3.31Å; Q11-A14 PolarHBondContact O-N 3.21Å; Q11-R15 WeakPolarHBondContact O-CG 3.48Å; Q11-R15 PolarHBondContact O-N 2.83Å
12	H	92	Very high	83.5	Confident	114 Å²	114	93.2 Å²	93.2	53%	0.528	57%	0.567	S	S	.	*	H	α-helix	trans	-55.5	-51.1	-176.4	177.7	77.1	0	0	0	112.2	D9 A14 R15 L16	D9-H12 HydrophobicContact CB-CB 4.28Å; D9-H12 WeakPolarHBondContact O-CB 3.39Å; D9-H12 PolarHBondContact O-N 3.47Å; D9-H12 PolarHBondContact OD1-N 3.19Å; H12-A14 PolarHBondContact O-N 3.27Å; H12-R15 PolarHBondContact O-N 3.27Å; H12-L16 WeakPolarHBondContact O-CB 2.95Å; H12-L16 PolarHBondContact O-N 3.02Å
13	A	89.3	Confident	85.2	Confident	60 Å²	60	91.2 Å²	91.2	50%	0.496	54%	0.539	S	S	.	.	H	α-helix	trans	-60.1	-46.3	179.9	0	0	0	0	0	112.2	Q11 R15 L16 L17	Q11-A13 PolarHBondContact O-N 3.31Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 2.96Å; A13-L16 PolarHBondContact O-N 3.44Å; A13-L17 WeakPolarHBondContact O-CG 2.84Å; A13-L17 PolarHBondContact O-N 3.07Å
14	A	88.7	Confident	86.4	Confident	47 Å²	47	84 Å²	84	39%	0.388	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-30.5	178.9	0	0	0	0	0	113.3	Q11 H12 R18	Q11-A14 PolarHBondContact O-N 3.21Å; H12-A14 PolarHBondContact O-N 3.27Å; A14-R18 WeakPolarHBondContact O-CG 3.43Å; A14-R18 PolarHBondContact O-N 3.08Å; A14-R18 PolarHBondContact O-NE 3.34Å
15	R	91.6	Very high	87.1	Confident	100 Å²	100	89.1 Å²	89.1	38%	0.377	51%	0.508	S	S	.	.	H	α-helix	trans	-74.7	-40	173.3	-71.3	-168.7	-50.8	-100.3	-4.7	111.5	D9 Q11 H12 A13 R18 A19	D9-R15 IonicContact OD1-NH1 3.88Å; D9-R15 PolarHBondContact OD1-NH1 3.34Å; D9-R15 IonicContact OD1-NH2 3.54Å; D9-R15 IonicContact OD2-CZ 2.81Å; D9-R15 IonicContact OD2-NH1 3.96Å; D9-R15 PolarHBondContact OD2-NH1 2.95Å; D9-R15 IonicContact OD2-NH2 3.19Å; D9-R15 PolarHBondContact OD2-NH2 3.17Å; Q11-R15 WeakPolarHBondContact O-CG 3.48Å; Q11-R15 PolarHBondContact O-N 2.83Å; H12-R15 PolarHBondContact O-N 3.27Å; A13-R15 VanDerWaalsContact C-N 3.33Å; A13-R15 PolarHBondContact O-N 2.96Å; R15-R18 PolarHBondContact O-N 3.21Å; R15-A19 PolarHBondContact O-N 3.49Å
16	L	91.9	Very high	87.5	Confident	87 Å²	87	88.3 Å²	88.3	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-48.3	175.9	179.2	61.4	0	0	0	111.2	H12 A13 R18 A19 L20	H12-L16 WeakPolarHBondContact O-CB 2.95Å; H12-L16 PolarHBondContact O-N 3.02Å; A13-L16 PolarHBondContact O-N 3.44Å; L16-R18 VanDerWaalsContact C-N 3.32Å; L16-R18 PolarHBondContact O-N 2.78Å; L16-A19 WeakPolarHBondContact O-CB 3.3Å; L16-A19 PolarHBondContact O-N 3.5Å; L16-A19 VanDerWaalsContact O-N 3.13Å; L16-L20 HydrophobicContact CD1-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CG 4.29Å; L16-L20 HydrophobicContact CG-CD1 3.96Å; L16-L20 HydrophobicContact CG-CG 4.45Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.29Å
17	L	91	Very high	87.4	Confident	66 Å²	66	88.4 Å²	88.4	35%	0.346	49%	0.487	S	S	.	.	H	α-helix	trans	-60.5	-39.8	177.8	-73.3	173.5	0	0	0	112.5	A13 A19 L20 S21 F91	A13-L17 WeakPolarHBondContact O-CG 2.84Å; A13-L17 PolarHBondContact O-N 3.07Å; L17-A19 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 3Å; L17-S21 WeakPolarHBondContact O-CB 3.39Å; L17-S21 PolarHBondContact O-N 3.49Å; L17-F91 WeakPolarHBondContact CB-O 3.44Å
18	R	90	Very high	87.4	Confident	158 Å²	158	90.9 Å²	90.9	60%	0.596	48%	0.481	S	S	*	.	H	α-helix	trans	-61.9	-41.9	173.5	-82	-177.4	-81.1	169.4	-11.3	112.7	A14 R15 L16 S21 S22	A14-R18 WeakPolarHBondContact O-CG 3.43Å; A14-R18 PolarHBondContact O-N 3.08Å; A14-R18 PolarHBondContact O-NE 3.34Å; R15-R18 PolarHBondContact O-N 3.21Å; L16-R18 VanDerWaalsContact C-N 3.32Å; L16-R18 PolarHBondContact O-N 2.78Å; R18-S21 WeakPolarHBondContact O-CB 3.45Å; R18-S21 PolarHBondContact O-N 2.69Å; R18-S22 PolarHBondContact O-N 2.75Å
19	A	90.3	Very high	87.5	Confident	41 Å²	41	89 Å²	89	34%	0.339	46%	0.459	S	S	.	.	H	α-helix	trans	-64.9	-44.2	175.2	0	0	0	0	0	111.6	R15 L16 L17 S21 S22 F23	R15-A19 PolarHBondContact O-N 3.49Å; L16-A19 WeakPolarHBondContact O-CB 3.3Å; L16-A19 PolarHBondContact O-N 3.5Å; L16-A19 VanDerWaalsContact O-N 3.13Å; L17-A19 PolarHBondContact O-N 3.31Å; A19-S21 PolarHBondContact O-N 3.5Å; A19-S22 PolarHBondContact O-N 2.72Å; A19-S22 PolarHBondContact O-OG 3.35Å; A19-F23 PolarHBondContact O-N 3.41Å
20	L	90.5	Very high	87.6	Confident	40 Å²	40	86.1 Å²	86.1	21%	0.209	45%	0.445	C	S	.	.	H	α-helix	trans	-62.9	-32.3	176.3	-66.3	169.2	0	0	0	112.3	L16 L17 F23 I47 F91	L16-L20 HydrophobicContact CD1-CD1 4.23Å; L16-L20 HydrophobicContact CD1-CG 4.29Å; L16-L20 HydrophobicContact CG-CD1 3.96Å; L16-L20 HydrophobicContact CG-CG 4.45Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.29Å; L17-L20 PolarHBondContact O-N 3Å; L20-F23 HydrophobicContact CD2-CD2 4.18Å; L20-F23 HydrophobicContact CD2-CE2 4.49Å; L20-F23 WeakPolarHBondContact O-CB 3.14Å; L20-F23 PolarHBondContact O-N 3.14Å; L20-I47 HydrophobicContact CB-CD1 3.89Å; L20-I47 HydrophobicContact CD1-CD1 3.82Å; L20-I47 HydrophobicContact CD2-CD1 4.27Å; L20-I47 HydrophobicContact CG-CD1 4.2Å; L20-F91 HydrophobicContact CB-CD1 4.08Å; L20-F91 HydrophobicContact CB-CE1 3.88Å
21	S	89	Confident	87.8	Confident	44 Å²	44	83.8 Å²	83.8	31%	0.308	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-46.4	173.3	-166.4	0	0	0	0	111.8	L17 R18 A19 F23 R24	L17-S21 WeakPolarHBondContact O-CB 3.39Å; L17-S21 PolarHBondContact O-N 3.49Å; R18-S21 WeakPolarHBondContact O-CB 3.45Å; R18-S21 PolarHBondContact O-N 2.69Å; A19-S21 PolarHBondContact O-N 3.5Å; S21-F23 PolarHBondContact O-N 2.94Å; S21-F23 VanDerWaalsContact O-N 3.17Å; S21-R24 VanDerWaalsContact O-CB 3.32Å; S21-R24 WeakPolarHBondContact O-CB 3.32Å; S21-R24 PolarHBondContact O-N 3.36Å
22	S	88.4	Confident	87.8	Confident	59 Å²	59	78.2 Å²	78.2	41%	0.413	40%	0.4	S	S	.	.	H	α-helix	trans	-60.4	-27.9	176.7	62.5	0	0	0	0	113.3	R18 A19 R24 E25	R18-S22 PolarHBondContact O-N 2.75Å; A19-S22 PolarHBondContact O-N 2.72Å; A19-S22 PolarHBondContact O-OG 3.35Å; S22-R24 PolarHBondContact O-N 2.79Å; S22-E25 PolarHBondContact O-N 3.2Å
23	F	87.9	Confident	87.7	Confident	61 Å²	61	75.1 Å²	75.1	27%	0.268	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13	177.2	-64.4	-11.3	0	0	0	113.7	A19 L20 S21 E25 E26 F29	A19-F23 PolarHBondContact O-N 3.41Å; L20-F23 HydrophobicContact CD2-CD2 4.18Å; L20-F23 HydrophobicContact CD2-CE2 4.49Å; L20-F23 WeakPolarHBondContact O-CB 3.14Å; L20-F23 PolarHBondContact O-N 3.14Å; S21-F23 PolarHBondContact O-N 2.94Å; S21-F23 VanDerWaalsContact O-N 3.17Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E26 PolarHBondContact O-N 2.89Å; F23-E26 VanDerWaalsContact O-O 3.06Å; F23-F29 HydrophobicContact CB-CB 3.78Å; F23-F29 HydrophobicContact CB-CD2 3.74Å; F23-F29 HydrophobicContact CB-CE2 4.48Å; F23-F29 HydrophobicContact CB-CG 3.88Å; F23-F29 AromaticContact CD1-CD2 3.76Å; F23-F29 HydrophobicContact CD1-CD2 3.76Å; F23-F29 AromaticContact CD1-CE2 3.62Å; F23-F29 HydrophobicContact CD1-CE2 3.62Å; F23-F29 HydrophobicContact CD1-CG 4.46Å; F23-F29 HydrophobicContact CD1-CZ 4.23Å; F23-F29 HydrophobicContact CD2-CD1 4.19Å; F23-F29 HydrophobicContact CD2-CD2 4.19Å; F23-F29 HydrophobicContact CD2-CE1 4.37Å; F23-F29 HydrophobicContact CD2-CE2 4.35Å; F23-F29 HydrophobicContact CD2-CG 4.09Å; F23-F29 HydrophobicContact CD2-CZ 4.42Å; F23-F29 HydrophobicContact CE1-CD2 4.42Å; F23-F29 AromaticContact CE1-CE2 3.85Å; F23-F29 HydrophobicContact CE1-CE2 3.85Å; F23-F29 HydrophobicContact CE1-CZ 4.09Å; F23-F29 HydrophobicContact CE2-CE1 4.31Å; F23-F29 HydrophobicContact CE2-CZ 4.28Å; F23-F29 HydrophobicContact CG-CB 4.33Å; F23-F29 HydrophobicContact CG-CD1 4.44Å; F23-F29 AromaticContact CG-CD2 3.63Å; F23-F29 HydrophobicContact CG-CD2 3.63Å; F23-F29 AromaticContact CG-CE2 3.9Å; F23-F29 HydrophobicContact CG-CE2 3.9Å; F23-F29 AromaticContact CG-CG 3.91Å; F23-F29 HydrophobicContact CG-CG 3.91Å; F23-F29 HydrophobicContact CG-CZ 4.41Å; F23-F29 HydrophobicContact CZ-CE2 4.31Å; F23-F29 HydrophobicContact CZ-CZ 4.11Å
24	R	83	Confident	87.9	Confident	39 Å²	39	72.2 Å²	72.2	15%	0.147	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-30	173.8	-68.1	176.6	62.7	-157.8	-9.4	112.6	S21 S22 L87 D88 F91	S21-R24 VanDerWaalsContact O-CB 3.32Å; S21-R24 WeakPolarHBondContact O-CB 3.32Å; S21-R24 PolarHBondContact O-N 3.36Å; S22-R24 PolarHBondContact O-N 2.79Å; R24-L87 VanDerWaalsContact NH2-CB 3.31Å; R24-D88 IonicContact CZ-OD1 3.86Å; R24-D88 IonicContact NH1-OD1 3.94Å; R24-D88 PolarHBondContact NH1-OD1 2.62Å; R24-D88 IonicContact NH2-OD1 3.62Å; R24-F91 HydrophobicContact CG-CE1 4.38Å; R24-F91 HydrophobicContact CG-CE2 4.33Å; R24-F91 HydrophobicContact CG-CZ 4Å
25	E	79.3	Confident	88.1	Confident	181 Å²	181	71.1 Å²	71.1	85%	0.846	35%	0.35	S	S	*	.	S	Bend	trans	-74.7	-19.8	177.6	-60.6	-177.7	176.2	0	0	111.6	S22 F23	S22-E25 PolarHBondContact O-N 3.2Å; F23-E25 VanDerWaalsContact C-N 3.29Å
26	E	84.7	Confident	88.1	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.421	33%	0.332	S	S	.	.	S	Bend	trans	-99.8	107	179.7	-70.4	-173.3	-144.8	0	0	111.2	F23 R28 F29	F23-E26 PolarHBondContact O-N 2.89Å; F23-E26 VanDerWaalsContact O-O 3.06Å; E26-R28 PolarHBondContact O-N 2.89Å; E26-F29 HydrophobicContact CB-CD2 3.92Å; E26-F29 PolarHBondContact O-N 2.88Å; E26-F29 VanDerWaalsContact OE2-CE2 3.24Å; E26-F29 WeakPolarHBondContact OE2-CE2 3.2Å
27	S	78.3	Confident	87.9	Confident	106 Å²	106	68.4 Å²	68.4	74%	0.741	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-53.1	-22.9	179.4	56.6	0	0	0	0	114.8	F29 C30	S27-F29 VanDerWaalsContact C-N 3.32Å; S27-F29 PolarHBondContact O-N 3.43Å; S27-C30 PolarHBondContact O-N 3.49Å
28	R	85.2	Confident	87.7	Confident	191 Å²	191	68.4 Å²	68.4	72%	0.721	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-64.6	-30.9	178.5	-169.6	-177.9	70.2	-178.2	-3.2	113.7	E26	E26-R28 PolarHBondContact O-N 2.89Å
29	F	85.8	Confident	87.8	Confident	71 Å²	71	65.6 Å²	65.6	31%	0.311	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-94	-7	-176.7	-68.7	-69.8	0	0	0	113.2	F23 E26 S27 Q44	F23-F29 HydrophobicContact CB-CB 3.78Å; F23-F29 HydrophobicContact CB-CD2 3.74Å; F23-F29 HydrophobicContact CB-CE2 4.48Å; F23-F29 HydrophobicContact CB-CG 3.88Å; F23-F29 AromaticContact CD1-CD2 3.76Å; F23-F29 HydrophobicContact CD1-CD2 3.76Å; F23-F29 AromaticContact CD1-CE2 3.62Å; F23-F29 HydrophobicContact CD1-CE2 3.62Å; F23-F29 HydrophobicContact CD1-CG 4.46Å; F23-F29 HydrophobicContact CD1-CZ 4.23Å; F23-F29 HydrophobicContact CD2-CD1 4.19Å; F23-F29 HydrophobicContact CD2-CD2 4.19Å; F23-F29 HydrophobicContact CD2-CE1 4.37Å; F23-F29 HydrophobicContact CD2-CE2 4.35Å; F23-F29 HydrophobicContact CD2-CG 4.09Å; F23-F29 HydrophobicContact CD2-CZ 4.42Å; F23-F29 HydrophobicContact CE1-CD2 4.42Å; F23-F29 AromaticContact CE1-CE2 3.85Å; F23-F29 HydrophobicContact CE1-CE2 3.85Å; F23-F29 HydrophobicContact CE1-CZ 4.09Å; F23-F29 HydrophobicContact CE2-CE1 4.31Å; F23-F29 HydrophobicContact CE2-CZ 4.28Å; F23-F29 HydrophobicContact CG-CB 4.33Å; F23-F29 HydrophobicContact CG-CD1 4.44Å; F23-F29 AromaticContact CG-CD2 3.63Å; F23-F29 HydrophobicContact CG-CD2 3.63Å; F23-F29 AromaticContact CG-CE2 3.9Å; F23-F29 HydrophobicContact CG-CE2 3.9Å; F23-F29 AromaticContact CG-CG 3.91Å; F23-F29 HydrophobicContact CG-CG 3.91Å; F23-F29 HydrophobicContact CG-CZ 4.41Å; F23-F29 HydrophobicContact CZ-CE2 4.31Å; F23-F29 HydrophobicContact CZ-CZ 4.11Å; E26-F29 HydrophobicContact CB-CD2 3.92Å; E26-F29 PolarHBondContact O-N 2.88Å; E26-F29 VanDerWaalsContact OE2-CE2 3.24Å; E26-F29 WeakPolarHBondContact OE2-CE2 3.2Å; S27-F29 VanDerWaalsContact C-N 3.32Å; S27-F29 PolarHBondContact O-N 3.43Å; F29-Q44 WeakPolarHBondContact O-CG 3.15Å
30	C	87.2	Confident	87.8	Confident	19 Å²	19	68 Å²	68	13%	0.128	36%	0.357	C	S	.	.			trans	-89.7	128.2	178.7	-63.9	0	0	0	0	110.7	S27 P42 V43	S27-C30 PolarHBondContact O-N 3.49Å; C30-P42 HydrophobicContact CB-CB 3.8Å; C30-V43 WeakPolarHBondContact CA-O 3.07Å
31	D	88.7	Confident	87.9	Confident	68 Å²	68	66.3 Å²	66.3	36%	0.364	35%	0.349	S	S	.	.			trans	-117.5	3.7	-173.7	68.4	-16.1	0	0	0	113.4	V43 Q44 K45	D31-V43 PolarHBondContact N-O 3.24Å; D31-V43 VanDerWaalsContact N-O 3.13Å; D31-Q44 WeakPolarHBondContact OD1-CA 3.31Å; D31-K45 VanDerWaalsContact O-CE 3.25Å; D31-K45 WeakPolarHBondContact O-CE 3.29Å; D31-K45 PolarHBondContact O-NZ 3.47Å; D31-K45 PolarHBondContact OD1-N 2.95Å; D31-K45 WeakPolarHBondContact OD2-CE 3.37Å; D31-K45 IonicContact OD2-NZ 3.45Å
32	A	90.4	Very high	88	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	165.1	168.1	0	0	0	0	0	111.9	V43 K45 Y71 I73	A32-V43 HydrophobicContact CB-CG2 4.12Å; A32-V43 PolarHBondContact N-O 3.26Å; A32-V43 PolarHBondContact O-N 3.42Å; A32-K45 HydrophobicContact CB-CD 3.78Å; A32-K45 HydrophobicContact CB-CG 3.28Å; A32-Y71 CarbonylContact C-O 3.59Å; A32-Y71 WeakPolarHBondContact CA-O 3.3Å; A32-Y71 HydrophobicContact CB-CD1 4.45Å; A32-Y71 VanDerWaalsContact CB-O 3.25Å; A32-Y71 WeakPolarHBondContact CB-O 3.44Å; A32-I73 HydrophobicContact CB-CD1 4.26Å
33	H	91.5	Very high	88.2	Confident	49 Å²	49	63.7 Å²	63.7	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131	168.8	-70	56.4	0	0	0	109.2	E40 I41 T70 Y71 K72 I73	H33-E40 HydrophobicContact CB-CB 4.29Å; H33-E40 IonicContact CD2-OE2 2.69Å; H33-E40 IonicContact CG-OE2 3.76Å; H33-I41 CarbonylContact C-O 3.53Å; H33-I41 WeakPolarHBondContact CA-O 2.93Å; H33-T70 WeakPolarHBondContact ND1-CG2 3.43Å; H33-Y71 PolarHBondContact N-O 3.49Å; H33-K72 CarbonylContact O-C 3.34Å; H33-K72 WeakPolarHBondContact O-CA 3.39Å; H33-I73 PolarHBondContact O-N 3.41Å
34	L	92.6	Very high	88.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.9	168.8	-164.8	69.3	0	0	0	108	L36 E40 I41 V43 I73 L75 M83	L34-L36 HydrophobicContact CD2-CD1 3.8Å; L34-L36 HydrophobicContact CD2-CG 4.34Å; L34-L36 HydrophobicContact CG-CD1 4.16Å; L34-L36 HydrophobicContact CG-CG 4.26Å; L34-E40 CarbonylContact O-C 3.56Å; L34-E40 WeakPolarHBondContact O-CA 3.36Å; L34-I41 HydrophobicContact CB-CB 4.3Å; L34-I41 PolarHBondContact N-O 2.86Å; L34-I41 PolarHBondContact O-N 3.35Å; L34-V43 HydrophobicContact CB-CG1 4.21Å; L34-V43 HydrophobicContact CB-CG2 4.22Å; L34-I73 WeakPolarHBondContact CA-O 3.49Å; L34-I73 HydrophobicContact CD1-CB 3.83Å; L34-I73 HydrophobicContact CD1-CG2 3.76Å; L34-L75 HydrophobicContact CD1-CD1 3.52Å; L34-L75 HydrophobicContact CD1-CG 3.76Å; L34-L75 HydrophobicContact CD2-CD1 4.13Å; L34-L75 HydrophobicContact CG-CD1 4.13Å; L34-M83 HydrophobicContact CD2-CE 3.28Å; L34-M83 HydrophobicContact CD2-CG 3.47Å; L34-M83 VanDerWaalsContact CD2-CG 3.47Å; L34-M83 HydrophobicContact CD2-SD 4.07Å
35	V	92.9	Very high	88.6	Confident	23 Å²	23	61.4 Å²	61.4	14%	0.139	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.6	-178.6	-173.7	0	0	0	0	108.3	E39 E40 K72 I73 E74 L75	V35-E39 WeakPolarHBondContact CA-O 3.28Å; V35-E40 HydrophobicContact CG2-CG 4.21Å; V35-K72 HydrophobicContact CG2-CB 3.94Å; V35-K72 HydrophobicContact CG2-CD 4.09Å; V35-K72 HydrophobicContact CG2-CG 4.24Å; V35-I73 PolarHBondContact N-O 3.09Å; V35-E74 HydrophobicContact CB-CG 4.1Å; V35-E74 HydrophobicContact CG1-CG 4.5Å; V35-L75 PolarHBondContact O-N 3.33Å
36	L	92.6	Very high	89.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.7	-179.5	-63.1	150	0	0	0	108	L34 G38 E39 I41 L75 I78 V80 M83	L34-L36 HydrophobicContact CD2-CD1 3.8Å; L34-L36 HydrophobicContact CD2-CG 4.34Å; L34-L36 HydrophobicContact CG-CD1 4.16Å; L34-L36 HydrophobicContact CG-CG 4.26Å; L36-G38 PolarHBondContact O-N 3.05Å; L36-E39 PolarHBondContact N-O 3.01Å; L36-E39 PolarHBondContact O-N 2.78Å; L36-I41 HydrophobicContact CD1-CD1 3.77Å; L36-L75 HydrophobicContact CD2-CB 3.58Å; L36-L75 HydrophobicContact CD2-CD1 4.3Å; L36-I78 HydrophobicContact CD2-CB 4.1Å; L36-I78 WeakPolarHBondContact CD2-O 3.4Å; L36-V80 HydrophobicContact CB-CG2 4.05Å; L36-M83 HydrophobicContact CD1-CB 3.62Å; L36-M83 HydrophobicContact CD1-CG 3.63Å
37	D	87.1	Confident	89.5	Confident	130 Å²	130	54.4 Å²	54.4	70%	0.695	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	31.1	178.2	-59.3	-30.1	0	0	0	114.6	E39	D37-E39 VanDerWaalsContact C-N 3.34Å
38	G	86.5	Confident	90.2	Very high	66 Å²	66	49.5 Å²	49.5	68%	0.68	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-8.9	-177.6	0	0	0	0	0	115.6	L36	L36-G38 PolarHBondContact O-N 3.05Å
39	E	91.8	Very high	90.5	Very high	100 Å²	100	41.2 Å²	41.2	47%	0.467	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.3	168.4	-72	-161.9	-161.7	0	0	111.4	V35 L36 D37 V80 R84	V35-E39 WeakPolarHBondContact CA-O 3.28Å; L36-E39 PolarHBondContact N-O 3.01Å; L36-E39 PolarHBondContact O-N 2.78Å; D37-E39 VanDerWaalsContact C-N 3.34Å; E39-V80 HydrophobicContact CB-CG2 4Å; E39-V80 HydrophobicContact CG-CG2 4.22Å; E39-V80 VanDerWaalsContact OE2-CG1 3.3Å; E39-V80 WeakPolarHBondContact OE2-CG1 3.35Å; E39-R84 IonicContact OE2-NH2 2.71Å; E39-R84 PolarHBondContact OE2-NH2 2.96Å
40	E	91.3	Very high	90.9	Very high	90 Å²	90	42.1 Å²	42.1	42%	0.421	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.1	176.8	-56	-165.9	177.9	0	0	110.7	H33 L34 V35 K72	H33-E40 HydrophobicContact CB-CB 4.29Å; H33-E40 IonicContact CD2-OE2 2.69Å; H33-E40 IonicContact CG-OE2 3.76Å; L34-E40 CarbonylContact O-C 3.56Å; L34-E40 WeakPolarHBondContact O-CA 3.36Å; V35-E40 HydrophobicContact CG2-CG 4.21Å; E40-K72 WeakPolarHBondContact OE1-CE 3.3Å; E40-K72 IonicContact OE1-NZ 2.62Å; E40-K72 PolarHBondContact OE1-NZ 3.27Å; E40-K72 IonicContact OE2-NZ 3.43Å
41	I	91.6	Very high	91.2	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.3	175.6	-52.9	178.4	0	0	0	108.8	H33 L34 L36 V43 V80 R84 L87	H33-I41 CarbonylContact C-O 3.53Å; H33-I41 WeakPolarHBondContact CA-O 2.93Å; L34-I41 HydrophobicContact CB-CB 4.3Å; L34-I41 PolarHBondContact N-O 2.86Å; L34-I41 PolarHBondContact O-N 3.35Å; L36-I41 HydrophobicContact CD1-CD1 3.77Å; I41-V43 HydrophobicContact CG2-CG1 4.2Å; I41-V43 PolarHBondContact O-N 3.38Å; I41-V80 HydrophobicContact CD1-CG1 4.21Å; I41-R84 HydrophobicContact CD1-CG 4.2Å; I41-L87 HydrophobicContact CD1-CD1 4.39Å; I41-L87 HydrophobicContact CG2-CD1 3.9Å
42	P	91.1	Very high	91.6	Very high	46 Å²	46	39.7 Å²	39.7	30%	0.299	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.1	176	29.4	-34.6	0	0	0	110.3	C30	C30-P42 HydrophobicContact CB-CB 3.8Å
43	V	92	Very high	91.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	166.5	-173.5	-67	0	0	0	0	112	C30 D31 A32 L34 I41 L48 L87	C30-V43 WeakPolarHBondContact CA-O 3.07Å; D31-V43 PolarHBondContact N-O 3.24Å; D31-V43 VanDerWaalsContact N-O 3.13Å; A32-V43 HydrophobicContact CB-CG2 4.12Å; A32-V43 PolarHBondContact N-O 3.26Å; A32-V43 PolarHBondContact O-N 3.42Å; L34-V43 HydrophobicContact CB-CG1 4.21Å; L34-V43 HydrophobicContact CB-CG2 4.22Å; I41-V43 HydrophobicContact CG2-CG1 4.2Å; I41-V43 PolarHBondContact O-N 3.38Å; V43-L48 HydrophobicContact CB-CD1 3.64Å; V43-L48 HydrophobicContact CB-CG 4.44Å; V43-L48 HydrophobicContact CG1-CD1 3.99Å; V43-L48 HydrophobicContact CG2-CD1 3.57Å; V43-L87 HydrophobicContact CG1-CD1 4.26Å; V43-L87 HydrophobicContact CG1-CD2 4.11Å
44	Q	90.4	Very high	92	Very high	12 Å²	12	44 Å²	44	6%	0.056	26%	0.263	C	S	.	.			trans	-103.9	113	175.6	-66.3	169.1	16.4	0	0	109.1	F29 D31 N46 I47 L48	F29-Q44 WeakPolarHBondContact O-CG 3.15Å; D31-Q44 WeakPolarHBondContact OD1-CA 3.31Å; Q44-N46 VanDerWaalsContact C-N 3.3Å; Q44-N46 PolarHBondContact O-N 2.97Å; Q44-I47 HydrophobicContact CB-CB 4.39Å; Q44-I47 HydrophobicContact CB-CD1 4.32Å; Q44-I47 HydrophobicContact CB-CG1 4.26Å; Q44-I47 PolarHBondContact O-N 2.91Å; Q44-L48 PolarHBondContact O-N 3.37Å; Q44-L48 VanDerWaalsContact O-N 3.15Å
45	K	89.9	Confident	92	Very high	40 Å²	40	44 Å²	44	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-43.6	-174.5	-74.1	179.7	-72.1	-161.1	0	112.4	D31 A32 L48 A49 L59 P64 Y71	D31-K45 VanDerWaalsContact O-CE 3.25Å; D31-K45 WeakPolarHBondContact O-CE 3.29Å; D31-K45 PolarHBondContact O-NZ 3.47Å; D31-K45 PolarHBondContact OD1-N 2.95Å; D31-K45 WeakPolarHBondContact OD2-CE 3.37Å; D31-K45 IonicContact OD2-NZ 3.45Å; A32-K45 HydrophobicContact CB-CD 3.78Å; A32-K45 HydrophobicContact CB-CG 3.28Å; K45-L48 PolarHBondContact O-N 2.96Å; K45-A49 WeakPolarHBondContact O-CB 3.44Å; K45-A49 PolarHBondContact O-N 3.43Å; K45-L59 HydrophobicContact CB-CD1 4.27Å; K45-L59 HydrophobicContact CD-CD2 4.16Å; K45-L59 HydrophobicContact CG-CD2 4.39Å; K45-P64 HydrophobicContact CD-CG 4.05Å; K45-Y71 HydrophobicContact CD-CD1 4.19Å; K45-Y71 HydrophobicContact CD-CG 4.41Å
46	N	90.1	Very high	92.1	Very high	105 Å²	105	50 Å²	50	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-63.7	-42.4	-176.9	62.4	-23.1	0	0	0	112.3	Q44 A49 A50	Q44-N46 VanDerWaalsContact C-N 3.3Å; Q44-N46 PolarHBondContact O-N 2.97Å; N46-A49 PolarHBondContact O-N 3.37Å; N46-A50 VanDerWaalsContact O-CB 3.28Å; N46-A50 WeakPolarHBondContact O-CB 3.25Å; N46-A50 PolarHBondContact O-N 3.18Å
47	I	91.9	Very high	92.1	Very high	20 Å²	20	54.1 Å²	54.1	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-45.2	178.9	-61.2	-173.2	0	0	0	110.1	L20 Q44 A49 A50 A51 I90 F91	L20-I47 HydrophobicContact CB-CD1 3.89Å; L20-I47 HydrophobicContact CD1-CD1 3.82Å; L20-I47 HydrophobicContact CD2-CD1 4.27Å; L20-I47 HydrophobicContact CG-CD1 4.2Å; Q44-I47 HydrophobicContact CB-CB 4.39Å; Q44-I47 HydrophobicContact CB-CD1 4.32Å; Q44-I47 HydrophobicContact CB-CG1 4.26Å; Q44-I47 PolarHBondContact O-N 2.91Å; I47-A49 VanDerWaalsContact C-N 3.35Å; I47-A49 PolarHBondContact O-N 3.13Å; I47-A50 PolarHBondContact O-N 3.06Å; I47-A51 WeakPolarHBondContact O-CB 3.35Å; I47-A51 PolarHBondContact O-N 2.76Å; I47-I90 HydrophobicContact CG2-CG2 3.73Å; I47-F91 HydrophobicContact CB-CZ 4.21Å; I47-F91 HydrophobicContact CD1-CD1 4.37Å; I47-F91 HydrophobicContact CD1-CE1 3.33Å; I47-F91 HydrophobicContact CD1-CZ 3.64Å; I47-F91 HydrophobicContact CG2-CE1 4.04Å; I47-F91 HydrophobicContact CG2-CE2 4.07Å; I47-F91 HydrophobicContact CG2-CZ 3.66Å
48	L	92.8	Very high	92.3	Very high	2 Å²	2	51 Å²	51	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176.2	-75.3	-176.5	0	0	0	112.7	V43 Q44 K45 A50 A51 S52 I55 I73 L87 I90	V43-L48 HydrophobicContact CB-CD1 3.64Å; V43-L48 HydrophobicContact CB-CG 4.44Å; V43-L48 HydrophobicContact CG1-CD1 3.99Å; V43-L48 HydrophobicContact CG2-CD1 3.57Å; Q44-L48 PolarHBondContact O-N 3.37Å; Q44-L48 VanDerWaalsContact O-N 3.15Å; K45-L48 PolarHBondContact O-N 2.96Å; L48-A50 VanDerWaalsContact C-N 3.3Å; L48-A50 PolarHBondContact O-N 2.92Å; L48-A51 PolarHBondContact O-N 3.41Å; L48-S52 WeakPolarHBondContact O-CB 3.27Å; L48-S52 PolarHBondContact O-N 3.41Å; L48-I55 HydrophobicContact CB-CD1 4.07Å; L48-I55 HydrophobicContact CB-CG2 4.12Å; L48-I55 HydrophobicContact CD1-CD1 4.28Å; L48-I55 HydrophobicContact CD2-CD1 4.28Å; L48-I55 HydrophobicContact CG-CD1 4.47Å; L48-I73 HydrophobicContact CD1-CD1 4.49Å; L48-L87 HydrophobicContact CD2-CD2 3.65Å; L48-I90 HydrophobicContact CD2-CD1 3.82Å
49	A	93	Very high	92.5	Very high	18 Å²	18	48.7 Å²	48.7	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-30.2	175.8	0	0	0	0	0	112.7	K45 N46 I47 R56 L59	K45-A49 WeakPolarHBondContact O-CB 3.44Å; K45-A49 PolarHBondContact O-N 3.43Å; N46-A49 PolarHBondContact O-N 3.37Å; I47-A49 VanDerWaalsContact C-N 3.35Å; I47-A49 PolarHBondContact O-N 3.13Å; A49-R56 HydrophobicContact CB-CB 4.16Å; A49-R56 HydrophobicContact CB-CG 4.23Å; A49-R56 WeakPolarHBondContact O-CB 3.29Å; A49-L59 HydrophobicContact CB-CD1 3.85Å
50	A	93.6	Very high	92.4	Very high	89 Å²	89	49.5 Å²	49.5	74%	0.736	27%	0.269	S	S	*	.	H	α-helix	trans	-72.6	-38.1	174.6	0	0	0	0	0	111.6	N46 I47 L48	N46-A50 VanDerWaalsContact O-CB 3.28Å; N46-A50 WeakPolarHBondContact O-CB 3.25Å; N46-A50 PolarHBondContact O-N 3.18Å; I47-A50 PolarHBondContact O-N 3.06Å; L48-A50 VanDerWaalsContact C-N 3.3Å; L48-A50 PolarHBondContact O-N 2.92Å
51	A	94.3	Very high	92.2	Very high	35 Å²	35	55.4 Å²	55.4	29%	0.289	29%	0.289	S	S	.	.	H	α-helix	trans	-81	-40.7	-179.3	0	0	0	0	0	113.3	I47 L48 I90 L114	I47-A51 WeakPolarHBondContact O-CB 3.35Å; I47-A51 PolarHBondContact O-N 2.76Å; L48-A51 PolarHBondContact O-N 3.41Å; A51-I90 HydrophobicContact CB-CB 4.49Å; A51-I90 HydrophobicContact CB-CD1 3.98Å; A51-I90 HydrophobicContact CB-CG1 3.92Å; A51-I90 HydrophobicContact CB-CG2 3.79Å; A51-L114 WeakPolarHBondContact O-CD2 3.28Å
52	S	96	Very high	92	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	31%	0.311	C	S	.	.			trans	-114	110.9	-174.2	173.2	0	0	0	0	111.7	L48 Y54 I55 R56 L112	L48-S52 WeakPolarHBondContact O-CB 3.27Å; L48-S52 PolarHBondContact O-N 3.41Å; S52-Y54 PolarHBondContact O-N 3.43Å; S52-Y54 PolarHBondContact OG-N 3.4Å; S52-I55 PolarHBondContact O-N 2.92Å; S52-I55 PolarHBondContact OG-N 3.2Å; S52-R56 PolarHBondContact O-N 3.09Å; S52-L112 WeakPolarHBondContact CB-O 3.4Å; S52-L112 PolarHBondContact OG-O 2.99Å
53	P	95.4	Very high	91.6	Very high	62 Å²	62	61.3 Å²	61.3	40%	0.403	32%	0.322	S	S	.	.	H	α-helix	trans	-57.3	-32.8	172.1	-25.4	34.5	0	0	0	113.4	T57 L113	P53-T57 WeakPolarHBondContact O-CB 3.45Å; P53-T57 PolarHBondContact O-N 3.5Å; P53-T57 PolarHBondContact O-OG1 2.95Å; P53-L113 HydrophobicContact CB-CB 4.29Å; P53-L113 HydrophobicContact CB-CD1 4.25Å; P53-L113 WeakPolarHBondContact CD-O 3.22Å; P53-L113 HydrophobicContact CG-CB 4.25Å
54	Y	94.7	Very high	91	Very high	78 Å²	78	63.3 Å²	63.3	31%	0.306	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-53.2	175.1	174	-92.4	0	0	0	111	S52 R56 T57 K58 L75 L112	S52-Y54 PolarHBondContact O-N 3.43Å; S52-Y54 PolarHBondContact OG-N 3.4Å; Y54-R56 VanDerWaalsContact C-N 3.31Å; Y54-R56 PolarHBondContact O-N 3.37Å; Y54-T57 PolarHBondContact O-N 2.93Å; Y54-T57 VanDerWaalsContact O-N 3.14Å; Y54-K58 HydrophobicContact CE1-CD 4.06Å; Y54-K58 PolarHBondContact O-N 3.4Å; Y54-L75 HydrophobicContact CD1-CD2 4.34Å; Y54-L75 HydrophobicContact CE1-CD2 3.63Å; Y54-L112 HydrophobicContact CD1-CD2 4.21Å
55	I	93.4	Very high	90.6	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-62.7	-40.7	179.7	-63.7	176.1	0	0	0	110.4	L48 S52 T57 K58 L59 I73 L112	L48-I55 HydrophobicContact CB-CD1 4.07Å; L48-I55 HydrophobicContact CB-CG2 4.12Å; L48-I55 HydrophobicContact CD1-CD1 4.28Å; L48-I55 HydrophobicContact CD2-CD1 4.28Å; L48-I55 HydrophobicContact CG-CD1 4.47Å; S52-I55 PolarHBondContact O-N 2.92Å; S52-I55 PolarHBondContact OG-N 3.2Å; I55-T57 VanDerWaalsContact C-N 3.3Å; I55-T57 PolarHBondContact O-N 2.82Å; I55-K58 PolarHBondContact O-N 3.2Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CB 3.2Å; I55-L59 VanDerWaalsContact O-CG 3.32Å; I55-L59 WeakPolarHBondContact O-CG 3.47Å; I55-L59 PolarHBondContact O-N 3.02Å; I55-I73 HydrophobicContact CG2-CD1 4.16Å; I55-L112 HydrophobicContact CD1-CD2 4.09Å; I55-L112 HydrophobicContact CG1-CD2 4.15Å
56	R	94.4	Very high	89.9	Confident	148 Å²	148	76.5 Å²	76.5	56%	0.558	40%	0.401	S	S	*	.	H	α-helix	trans	-55.8	-46.4	174.3	-164.6	-180	94	176.2	6.3	111.9	A49 S52 Y54 L59 N60	A49-R56 HydrophobicContact CB-CB 4.16Å; A49-R56 HydrophobicContact CB-CG 4.23Å; A49-R56 WeakPolarHBondContact O-CB 3.29Å; S52-R56 PolarHBondContact O-N 3.09Å; Y54-R56 VanDerWaalsContact C-N 3.31Å; Y54-R56 PolarHBondContact O-N 3.37Å; R56-L59 PolarHBondContact O-N 3.25Å; R56-N60 WeakPolarHBondContact O-CB 3.41Å; R56-N60 PolarHBondContact O-N 2.98Å; R56-N60 PolarHBondContact O-ND2 3.29Å; R56-N60 PolarHBondContact O-OD1 3.15Å
57	T	93.5	Very high	89.5	Confident	87 Å²	87	76.4 Å²	76.4	53%	0.534	40%	0.4	S	S	.	.	H	α-helix	trans	-66.6	-41.4	179.8	-56.2	0	0	0	0	111.1	P53 Y54 I55 L59 N60 Y61	P53-T57 WeakPolarHBondContact O-CB 3.45Å; P53-T57 PolarHBondContact O-N 3.5Å; P53-T57 PolarHBondContact O-OG1 2.95Å; Y54-T57 PolarHBondContact O-N 2.93Å; Y54-T57 VanDerWaalsContact O-N 3.14Å; I55-T57 VanDerWaalsContact C-N 3.3Å; I55-T57 PolarHBondContact O-N 2.82Å; T57-L59 PolarHBondContact O-N 3.42Å; T57-N60 PolarHBondContact O-N 3.23Å; T57-Y61 PolarHBondContact O-N 3.32Å
58	K	90.8	Very high	88.6	Confident	65 Å²	65	79 Å²	79	28%	0.283	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-42.9	176.4	-169.3	164.8	-171.2	162	0	112.3	Y54 I55 Y61 N62 I73 E74	Y54-K58 HydrophobicContact CE1-CD 4.06Å; Y54-K58 PolarHBondContact O-N 3.4Å; I55-K58 PolarHBondContact O-N 3.2Å; K58-Y61 PolarHBondContact O-N 3.25Å; K58-N62 PolarHBondContact O-N 3.22Å; K58-I73 HydrophobicContact CD-CG2 4.44Å; K58-E74 PolarHBondContact NZ-O 2.94Å
59	L	89.9	Confident	87.9	Confident	17 Å²	17	82 Å²	82	9%	0.089	45%	0.453	C	S	.	.	H	α-helix	trans	-66.6	-35.7	175.1	-71.6	169.3	0	0	0	112.6	K45 A49 I55 R56 T57 N62 P63 Y71 I73	K45-L59 HydrophobicContact CB-CD1 4.27Å; K45-L59 HydrophobicContact CD-CD2 4.16Å; K45-L59 HydrophobicContact CG-CD2 4.39Å; A49-L59 HydrophobicContact CB-CD1 3.85Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CB 3.2Å; I55-L59 VanDerWaalsContact O-CG 3.32Å; I55-L59 WeakPolarHBondContact O-CG 3.47Å; I55-L59 PolarHBondContact O-N 3.02Å; R56-L59 PolarHBondContact O-N 3.25Å; T57-L59 PolarHBondContact O-N 3.42Å; L59-N62 CarbonylContact O-C 3.54Å; L59-N62 VanDerWaalsContact O-C 3.31Å; L59-P63 VanDerWaalsContact O-CA 3.29Å; L59-P63 WeakPolarHBondContact O-CA 3.29Å; L59-Y71 HydrophobicContact CD2-CD1 3.74Å; L59-Y71 HydrophobicContact CD2-CE1 3.31Å; L59-I73 HydrophobicContact CD2-CD1 4.33Å; L59-I73 HydrophobicContact CD2-CG1 4.37Å
60	N	89.7	Confident	87.2	Confident	116 Å²	116	85 Å²	85	62%	0.62	47%	0.47	S	S	*	.	H	α-helix	trans	-70.5	-35.8	176.3	-72.1	-14.6	0	0	0	112.3	R56 T57	R56-N60 WeakPolarHBondContact O-CB 3.41Å; R56-N60 PolarHBondContact O-N 2.98Å; R56-N60 PolarHBondContact O-ND2 3.29Å; R56-N60 PolarHBondContact O-OD1 3.15Å; T57-N60 PolarHBondContact O-N 3.23Å
61	Y	88.5	Confident	86.8	Confident	214 Å²	214	81.6 Å²	81.6	84%	0.839	44%	0.438	S	S	*	.	H	α-helix	trans	-76.5	-38.7	179.3	-170.9	-96.1	0	0	0	112.4	T57 K58 P63	T57-Y61 PolarHBondContact O-N 3.32Å; K58-Y61 PolarHBondContact O-N 3.25Å; Y61-P63 WeakPolarHBondContact O-CD 3.34Å
62	N	85.6	Confident	86.6	Confident	95 Å²	95	85 Å²	85	51%	0.508	45%	0.446	S	S	.	.	S	Bend	trans	-120.5	82.1	175.7	-168.7	20.2	0	0	0	109.6	K58 L59 Y71	K58-N62 PolarHBondContact O-N 3.22Å; L59-N62 CarbonylContact O-C 3.54Å; L59-N62 VanDerWaalsContact O-C 3.31Å; N62-Y71 WeakPolarHBondContact O-CE2 3.48Å; N62-Y71 VanDerWaalsContact O-CZ 3.23Å; N62-Y71 PolarHBondContact O-OH 3.42Å
63	P	83.6	Confident	86.3	Confident	80 Å²	80	85 Å²	85	52%	0.519	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-66.7	148.7	-177.4	25.9	-33.3	0	0	0	111.6	L59 Y61	L59-P63 VanDerWaalsContact O-CA 3.29Å; L59-P63 WeakPolarHBondContact O-CA 3.29Å; Y61-P63 WeakPolarHBondContact O-CD 3.34Å
64	P	80.4	Confident	86.1	Confident	45 Å²	45	87.8 Å²	87.8	29%	0.292	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-56.2	141.5	171.3	-20.9	31.4	0	0	0	111.9	K45 Y71	K45-P64 HydrophobicContact CD-CG 4.05Å; P64-Y71 VanDerWaalsContact CA-CD2 3.48Å; P64-Y71 HydrophobicContact CB-CD2 3.76Å; P64-Y71 HydrophobicContact CB-CE2 4.47Å; P64-Y71 HydrophobicContact CB-CG 4.12Å; P64-Y71 HydrophobicContact CG-CD2 3.86Å; P64-Y71 HydrophobicContact CG-CE2 4.32Å; P64-Y71 HydrophobicContact CG-CG 3.97Å
65	K	80.9	Confident	86	Confident	149 Å²	149	84.3 Å²	84.3	65%	0.648	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-74.7	141.1	173.6	-63.3	179.2	-176.4	176.6	0	109.7	D67	K65-D67 HydrophobicContact CB-CB 4.49Å; K65-D67 WeakPolarHBondContact CB-OD1 3.36Å; K65-D67 WeakPolarHBondContact CD-OD2 3.36Å; K65-D67 PolarHBondContact O-N 2.94Å; K65-D67 VanDerWaalsContact O-N 3.08Å
66	D	75.8	Confident	85.8	Confident	179 Å²	179	92.1 Å²	92.1	96%	0.957	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	16.5	176.1	-68.2	-32.5	0	0	0	113.4	G68	D66-G68 VanDerWaalsContact C-N 3.31Å; D66-G68 PolarHBondContact O-N 3.02Å
67	D	81	Confident	85.5	Confident	103 Å²	103	87.6 Å²	87.6	55%	0.551	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	3	-176.1	61.3	4.1	0	0	0	113.6	K65 S69	K65-D67 HydrophobicContact CB-CB 4.49Å; K65-D67 WeakPolarHBondContact CB-OD1 3.36Å; K65-D67 WeakPolarHBondContact CD-OD2 3.36Å; K65-D67 PolarHBondContact O-N 2.94Å; K65-D67 VanDerWaalsContact O-N 3.08Å; D67-S69 PolarHBondContact O-N 3.23Å; D67-S69 WeakPolarHBondContact OD1-CB 3.2Å; D67-S69 PolarHBondContact OD1-N 3.4Å; D67-S69 PolarHBondContact OD1-OG 3.39Å
68	G	74.1	Confident	85.5	Confident	75 Å²	75	83.7 Å²	83.7	77%	0.773	45%	0.452	S	S	*	.	S	Bend	trans	77.4	5.2	-176	0	0	0	0	0	113.9	D66	D66-G68 VanDerWaalsContact C-N 3.31Å; D66-G68 PolarHBondContact O-N 3.02Å
69	S	78	Confident	85.6	Confident	65 Å²	65	82.9 Å²	82.9	46%	0.455	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-68.7	141.8	173.7	64.9	0	0	0	0	111.3	D67 Y71	D67-S69 PolarHBondContact O-N 3.23Å; D67-S69 WeakPolarHBondContact OD1-CB 3.2Å; D67-S69 PolarHBondContact OD1-N 3.4Å; D67-S69 PolarHBondContact OD1-OG 3.39Å; S69-Y71 PolarHBondContact O-N 3.48Å
70	T	77	Confident	85.8	Confident	80 Å²	80	83 Å²	83	49%	0.491	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-69.7	120.7	175.5	-48.6	0	0	0	0	109.8	H33 K72	H33-T70 WeakPolarHBondContact ND1-CG2 3.43Å; T70-K72 PolarHBondContact O-N 2.83Å
71	Y	85.9	Confident	85.9	Confident	19 Å²	19	84.8 Å²	84.8	8%	0.075	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.8	-178.8	-170.4	-98.5	0	0	0	110.9	A32 H33 K45 L59 N62 P64 S69 I73	A32-Y71 CarbonylContact C-O 3.59Å; A32-Y71 WeakPolarHBondContact CA-O 3.3Å; A32-Y71 HydrophobicContact CB-CD1 4.45Å; A32-Y71 VanDerWaalsContact CB-O 3.25Å; A32-Y71 WeakPolarHBondContact CB-O 3.44Å; H33-Y71 PolarHBondContact N-O 3.49Å; K45-Y71 HydrophobicContact CD-CD1 4.19Å; K45-Y71 HydrophobicContact CD-CG 4.41Å; L59-Y71 HydrophobicContact CD2-CD1 3.74Å; L59-Y71 HydrophobicContact CD2-CE1 3.31Å; N62-Y71 WeakPolarHBondContact O-CE2 3.48Å; N62-Y71 VanDerWaalsContact O-CZ 3.23Å; N62-Y71 PolarHBondContact O-OH 3.42Å; P64-Y71 VanDerWaalsContact CA-CD2 3.48Å; P64-Y71 HydrophobicContact CB-CD2 3.76Å; P64-Y71 HydrophobicContact CB-CE2 4.47Å; P64-Y71 HydrophobicContact CB-CG 4.12Å; P64-Y71 HydrophobicContact CG-CD2 3.86Å; P64-Y71 HydrophobicContact CG-CE2 4.32Å; P64-Y71 HydrophobicContact CG-CG 3.97Å; S69-Y71 PolarHBondContact O-N 3.48Å; Y71-I73 HydrophobicContact CD1-CG1 3.76Å; Y71-I73 HydrophobicContact CE1-CG1 3.59Å
72	K	89.5	Confident	86.2	Confident	105 Å²	105	74.9 Å²	74.9	46%	0.457	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.3	179.4	-64.9	-169.1	179.9	-166.7	0	110.3	H33 V35 E40 T70	H33-K72 CarbonylContact O-C 3.34Å; H33-K72 WeakPolarHBondContact O-CA 3.39Å; V35-K72 HydrophobicContact CG2-CB 3.94Å; V35-K72 HydrophobicContact CG2-CD 4.09Å; V35-K72 HydrophobicContact CG2-CG 4.24Å; E40-K72 WeakPolarHBondContact OE1-CE 3.3Å; E40-K72 IonicContact OE1-NZ 2.62Å; E40-K72 PolarHBondContact OE1-NZ 3.27Å; E40-K72 IonicContact OE2-NZ 3.43Å; T70-K72 PolarHBondContact O-N 2.83Å
73	I	90.8	Very high	86.7	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.005	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	100	174.6	-57.1	162.8	0	0	0	106.9	A32 H33 L34 V35 L48 I55 K58 L59 Y71 L75	A32-I73 HydrophobicContact CB-CD1 4.26Å; H33-I73 PolarHBondContact O-N 3.41Å; L34-I73 WeakPolarHBondContact CA-O 3.49Å; L34-I73 HydrophobicContact CD1-CB 3.83Å; L34-I73 HydrophobicContact CD1-CG2 3.76Å; V35-I73 PolarHBondContact N-O 3.09Å; L48-I73 HydrophobicContact CD1-CD1 4.49Å; I55-I73 HydrophobicContact CG2-CD1 4.16Å; K58-I73 HydrophobicContact CD-CG2 4.44Å; L59-I73 HydrophobicContact CD2-CD1 4.33Å; L59-I73 HydrophobicContact CD2-CG1 4.37Å; Y71-I73 HydrophobicContact CD1-CG1 3.76Å; Y71-I73 HydrophobicContact CE1-CG1 3.59Å; I73-L75 HydrophobicContact CG2-CD2 4.36Å; I73-L75 HydrophobicContact CG2-CG 4.35Å
74	E	90.8	Very high	87.1	Confident	121 Å²	121	71.7 Å²	71.7	57%	0.565	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.3	174.4	-67.5	171.1	177.4	0	0	109.6	V35 K58	V35-E74 HydrophobicContact CB-CG 4.1Å; V35-E74 HydrophobicContact CG1-CG 4.5Å; K58-E74 PolarHBondContact NZ-O 2.94Å
75	L	91.9	Very high	87.8	Confident	6 Å²	6	73 Å²	73	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.6	171.6	-69.9	-175.3	0	0	0	108.5	L34 V35 L36 Y54 I73 I78 M83 L112	L34-L75 HydrophobicContact CD1-CD1 3.52Å; L34-L75 HydrophobicContact CD1-CG 3.76Å; L34-L75 HydrophobicContact CD2-CD1 4.13Å; L34-L75 HydrophobicContact CG-CD1 4.13Å; V35-L75 PolarHBondContact O-N 3.33Å; L36-L75 HydrophobicContact CD2-CB 3.58Å; L36-L75 HydrophobicContact CD2-CD1 4.3Å; Y54-L75 HydrophobicContact CD1-CD2 4.34Å; Y54-L75 HydrophobicContact CE1-CD2 3.63Å; I73-L75 HydrophobicContact CG2-CD2 4.36Å; I73-L75 HydrophobicContact CG2-CG 4.35Å; L75-I78 HydrophobicContact CD1-CD1 4.43Å; L75-M83 HydrophobicContact CD1-CE 4.41Å; L75-L112 HydrophobicContact CD1-CD2 3.98Å; L75-L112 HydrophobicContact CD2-CD2 4.43Å
76	E	90.1	Very high	88.5	Confident	164 Å²	164	66 Å²	66	77%	0.766	37%	0.367	S	S	*	.			trans	-111.7	147	177.9	-64.6	179.5	179.4	0	0	109.3
77	G	88.8	Confident	89.4	Confident	53 Å²	53	57.5 Å²	57.5	55%	0.546	32%	0.321	S	S	.	.	S	Bend	trans	80.9	12.1	174.7	0	0	0	0	0	115.7	Q107	G77-Q107 PolarHBondContact O-NE2 2.63Å
78	I	93.4	Very high	90	Very high	6 Å²	6	56 Å²	56	3%	0.031	31%	0.313	C	S	.	.			trans	-123.2	125.2	172.4	-58.4	176.3	0	0	0	108.4	L36 L75 V82 M83 A108 L111 L112	L36-I78 HydrophobicContact CD2-CB 4.1Å; L36-I78 WeakPolarHBondContact CD2-O 3.4Å; L75-I78 HydrophobicContact CD1-CD1 4.43Å; I78-V82 HydrophobicContact CG2-CB 4.45Å; I78-V82 HydrophobicContact CG2-CG1 4.3Å; I78-M83 HydrophobicContact CG2-CB 3.92Å; I78-A108 HydrophobicContact CD1-CB 3.83Å; I78-A108 HydrophobicContact CG1-CB 3.86Å; I78-A108 HydrophobicContact CG2-CB 3.91Å; I78-L111 HydrophobicContact CD1-CD2 3.52Å; I78-L111 HydrophobicContact CG1-CD2 3.97Å; I78-L112 HydrophobicContact CD1-CD1 3.94Å; I78-L112 HydrophobicContact CD1-CD2 4.2Å; I78-L112 HydrophobicContact CD1-CG 3.87Å
79	S	92.7	Very high	91	Very high	47 Å²	47	53.9 Å²	53.9	33%	0.329	28%	0.282	S	S	.	.			trans	-68.2	148	175.9	76.8	0	0	0	0	111.4	M81 V82 M83	S79-M81 PolarHBondContact O-N 3.22Å; S79-V82 PolarHBondContact O-N 3.21Å; S79-V82 WeakPolarHBondContact OG-CB 3.24Å; S79-V82 WeakPolarHBondContact OG-CG2 3.43Å; S79-V82 PolarHBondContact OG-N 3.35Å; S79-M83 PolarHBondContact O-N 3.33Å
80	V	93.4	Very high	91.8	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-55.1	-41.1	177.9	179.2	0	0	0	0	111.5	L36 E39 I41 M83 R84	L36-V80 HydrophobicContact CB-CG2 4.05Å; E39-V80 HydrophobicContact CB-CG2 4Å; E39-V80 HydrophobicContact CG-CG2 4.22Å; E39-V80 VanDerWaalsContact OE2-CG1 3.3Å; E39-V80 WeakPolarHBondContact OE2-CG1 3.35Å; I41-V80 HydrophobicContact CD1-CG1 4.21Å; V80-M83 PolarHBondContact O-N 3.47Å; V80-R84 WeakPolarHBondContact O-CG 3.39Å; V80-R84 PolarHBondContact O-N 3.06Å
81	M	92.7	Very high	92.5	Very high	154 Å²	154	48.6 Å²	48.6	76%	0.759	25%	0.245	S	C	*	.	H	α-helix	trans	-62.5	-48.2	-179.7	-71	-176.8	62.4	0	0	111.9	S79 M83 R84 E85	S79-M81 PolarHBondContact O-N 3.22Å; M81-M83 VanDerWaalsContact C-N 3.31Å; M81-M83 PolarHBondContact O-N 2.84Å; M81-R84 PolarHBondContact O-N 3.46Å; M81-E85 PolarHBondContact O-N 3.21Å
82	V	94.6	Very high	92.7	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-39.5	179.7	170.6	0	0	0	0	110.6	I78 S79 R84 E85 I86 D104 V105 A108	I78-V82 HydrophobicContact CG2-CB 4.45Å; I78-V82 HydrophobicContact CG2-CG1 4.3Å; S79-V82 PolarHBondContact O-N 3.21Å; S79-V82 WeakPolarHBondContact OG-CB 3.24Å; S79-V82 WeakPolarHBondContact OG-CG2 3.43Å; S79-V82 PolarHBondContact OG-N 3.35Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 2.94Å; V82-E85 PolarHBondContact O-N 3.32Å; V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 HydrophobicContact CG1-CG1 4.44Å; V82-I86 WeakPolarHBondContact O-CG1 3.37Å; V82-I86 PolarHBondContact O-N 3.45Å; V82-D104 HydrophobicContact CG1-CB 4.42Å; V82-D104 HydrophobicContact CG2-CB 3.58Å; V82-V105 HydrophobicContact CG1-CG2 4.11Å; V82-A108 HydrophobicContact CG1-CB 3.88Å
83	M	95	Very high	92.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-33.4	177.2	-167.6	55.4	-172.3	0	0	112.6	L34 L36 L75 I78 S79 V80 M81 I86 L87 L112	L34-M83 HydrophobicContact CD2-CE 3.28Å; L34-M83 HydrophobicContact CD2-CG 3.47Å; L34-M83 VanDerWaalsContact CD2-CG 3.47Å; L34-M83 HydrophobicContact CD2-SD 4.07Å; L36-M83 HydrophobicContact CD1-CB 3.62Å; L36-M83 HydrophobicContact CD1-CG 3.63Å; L75-M83 HydrophobicContact CD1-CE 4.41Å; I78-M83 HydrophobicContact CG2-CB 3.92Å; S79-M83 PolarHBondContact O-N 3.33Å; V80-M83 PolarHBondContact O-N 3.47Å; M81-M83 VanDerWaalsContact C-N 3.31Å; M81-M83 PolarHBondContact O-N 2.84Å; M83-I86 PolarHBondContact O-N 3.11Å; M83-I86 HydrophobicContact SD-CB 4.26Å; M83-I86 HydrophobicContact SD-CG2 4.26Å; M83-L87 HydrophobicContact CE-CD2 3.96Å; M83-L87 HydrophobicContact CE-CG 3.98Å; M83-L87 HydrophobicContact CG-CD1 4.34Å; M83-L87 HydrophobicContact CG-CG 4.41Å; M83-L87 WeakPolarHBondContact O-CB 3.38Å; M83-L87 WeakPolarHBondContact O-CG 3.36Å; M83-L87 PolarHBondContact O-N 2.83Å; M83-L112 HydrophobicContact CE-CD1 4.31Å; M83-L112 HydrophobicContact SD-CD1 3.99Å
84	R	93.5	Very high	92.8	Very high	107 Å²	107	55.2 Å²	55.2	40%	0.404	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-44	173.5	-72.4	177.1	-167.4	-74.1	-3.5	111.5	E39 I41 V80 M81 V82 L87 D88	E39-R84 IonicContact OE2-NH2 2.71Å; E39-R84 PolarHBondContact OE2-NH2 2.96Å; I41-R84 HydrophobicContact CD1-CG 4.2Å; V80-R84 WeakPolarHBondContact O-CG 3.39Å; V80-R84 PolarHBondContact O-N 3.06Å; M81-R84 PolarHBondContact O-N 3.46Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 2.94Å; R84-L87 PolarHBondContact O-N 3.24Å; R84-D88 VanDerWaalsContact O-CG 3.29Å; R84-D88 PolarHBondContact O-N 3.14Å
85	E	94.9	Very high	93	Very high	74 Å²	74	51 Å²	51	35%	0.346	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-40.8	175	-68.2	-66.6	140.6	0	0	112.1	M81 V82 D88 Y89	M81-E85 PolarHBondContact O-N 3.21Å; V82-E85 PolarHBondContact O-N 3.32Å; E85-D88 PolarHBondContact O-N 2.87Å; E85-Y89 WeakPolarHBondContact O-CB 3.45Å; E85-Y89 PolarHBondContact O-N 3.34Å
86	I	95.7	Very high	93.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-41.2	175.9	-70.1	172.7	0	0	0	111.1	V82 M83 D88 Y89 I90 A108 L112 L114 L117	V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 HydrophobicContact CG1-CG1 4.44Å; V82-I86 WeakPolarHBondContact O-CG1 3.37Å; V82-I86 PolarHBondContact O-N 3.45Å; M83-I86 PolarHBondContact O-N 3.11Å; M83-I86 HydrophobicContact SD-CB 4.26Å; M83-I86 HydrophobicContact SD-CG2 4.26Å; I86-D88 VanDerWaalsContact C-N 3.32Å; I86-Y89 WeakPolarHBondContact O-CB 3.17Å; I86-Y89 PolarHBondContact O-N 3.01Å; I86-I90 HydrophobicContact CG2-CD1 4.12Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.49Å; I86-I90 PolarHBondContact O-N 3.36Å; I86-A108 HydrophobicContact CD1-CB 3.35Å; I86-L112 HydrophobicContact CD1-CD1 4.36Å; I86-L112 HydrophobicContact CG2-CD1 4.17Å; I86-L114 HydrophobicContact CG2-CD1 3.67Å; I86-L117 HydrophobicContact CD1-CD2 4.45Å; I86-L117 HydrophobicContact CG1-CD2 4.05Å
87	L	94.1	Very high	93.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-45.6	173.5	-72.9	168.9	0	0	0	110.1	R24 I41 V43 L48 M83 R84 Y89 I90 F91	R24-L87 VanDerWaalsContact NH2-CB 3.31Å; I41-L87 HydrophobicContact CD1-CD1 4.39Å; I41-L87 HydrophobicContact CG2-CD1 3.9Å; V43-L87 HydrophobicContact CG1-CD1 4.26Å; V43-L87 HydrophobicContact CG1-CD2 4.11Å; L48-L87 HydrophobicContact CD2-CD2 3.65Å; M83-L87 HydrophobicContact CE-CD2 3.96Å; M83-L87 HydrophobicContact CE-CG 3.98Å; M83-L87 HydrophobicContact CG-CD1 4.34Å; M83-L87 HydrophobicContact CG-CG 4.41Å; M83-L87 WeakPolarHBondContact O-CB 3.38Å; M83-L87 WeakPolarHBondContact O-CG 3.36Å; M83-L87 PolarHBondContact O-N 2.83Å; R84-L87 PolarHBondContact O-N 3.24Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 PolarHBondContact O-N 3.22Å; L87-I90 PolarHBondContact O-N 2.79Å; L87-F91 VanDerWaalsContact O-CD2 3.24Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 PolarHBondContact O-N 3.46Å
88	D	93.5	Very high	93.5	Very high	72 Å²	72	54.8 Å²	54.8	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-36.5	177.8	-67.9	-7.9	0	0	0	111.7	R24 R84 E85 I86 F91 S92	R24-D88 IonicContact CZ-OD1 3.86Å; R24-D88 IonicContact NH1-OD1 3.94Å; R24-D88 PolarHBondContact NH1-OD1 2.62Å; R24-D88 IonicContact NH2-OD1 3.62Å; R84-D88 VanDerWaalsContact O-CG 3.29Å; R84-D88 PolarHBondContact O-N 3.14Å; E85-D88 PolarHBondContact O-N 2.87Å; I86-D88 VanDerWaalsContact C-N 3.32Å; D88-F91 PolarHBondContact O-N 3.28Å; D88-S92 WeakPolarHBondContact O-CB 3.35Å; D88-S92 PolarHBondContact O-N 3.01Å; D88-S92 PolarHBondContact O-OG 3.07Å
89	Y	95	Very high	93.3	Very high	30 Å²	30	60.9 Å²	60.9	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-60.1	-46	171.2	167.4	-102.5	0	0	0	113	E85 I86 L87 F91 S92 G93 Q94 I95 L117 L120	E85-Y89 WeakPolarHBondContact O-CB 3.45Å; E85-Y89 PolarHBondContact O-N 3.34Å; I86-Y89 WeakPolarHBondContact O-CB 3.17Å; I86-Y89 PolarHBondContact O-N 3.01Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 PolarHBondContact O-N 3.22Å; Y89-F91 PolarHBondContact O-N 3.01Å; Y89-F91 VanDerWaalsContact O-N 3.11Å; Y89-S92 PolarHBondContact O-N 3.47Å; Y89-G93 WeakPolarHBondContact O-CA 3.18Å; Y89-G93 PolarHBondContact O-N 3.31Å; Y89-Q94 VanDerWaalsContact CA-O 3.3Å; Y89-Q94 WeakPolarHBondContact CA-O 3.36Å; Y89-I95 HydrophobicContact CD2-CB 3.93Å; Y89-I95 HydrophobicContact CD2-CG2 4.25Å; Y89-I95 HydrophobicContact CG-CB 4.25Å; Y89-L117 HydrophobicContact CD1-CB 4.42Å; Y89-L117 HydrophobicContact CD1-CD1 4.26Å; Y89-L117 HydrophobicContact CD1-CD2 4.13Å; Y89-L117 HydrophobicContact CD2-CD1 4.37Å; Y89-L117 HydrophobicContact CE1-CB 3.75Å; Y89-L117 HydrophobicContact CE1-CD1 4.2Å; Y89-L117 HydrophobicContact CE1-CD2 4.28Å; Y89-L117 HydrophobicContact CE1-CG 4.29Å; Y89-L117 HydrophobicContact CE2-CD1 4.31Å; Y89-L117 HydrophobicContact CG-CD1 4.35Å; Y89-L120 HydrophobicContact CE2-CD1 3.75Å
90	I	94.2	Very high	93.2	Very high	23 Å²	23	65.7 Å²	65.7	12%	0.118	33%	0.327	C	S	.	.	H	α-helix	trans	-56.3	-33.4	-178.9	-73.2	167.4	0	0	0	111.8	I47 L48 A51 I86 L87	I47-I90 HydrophobicContact CG2-CG2 3.73Å; L48-I90 HydrophobicContact CD2-CD1 3.82Å; A51-I90 HydrophobicContact CB-CB 4.49Å; A51-I90 HydrophobicContact CB-CD1 3.98Å; A51-I90 HydrophobicContact CB-CG1 3.92Å; A51-I90 HydrophobicContact CB-CG2 3.79Å; I86-I90 HydrophobicContact CG2-CD1 4.12Å; I86-I90 VanDerWaalsContact O-CG1 3.29Å; I86-I90 WeakPolarHBondContact O-CG1 3.49Å; I86-I90 PolarHBondContact O-N 3.36Å; L87-I90 PolarHBondContact O-N 2.79Å
91	F	91.3	Very high	93.2	Very high	12 Å²	12	66.9 Å²	66.9	5%	0.053	33%	0.334	C	S	.	.	H	α-helix	trans	-96.8	-27.4	-178.9	-68.5	-99.4	0	0	0	114	L17 L20 R24 I47 L87 D88 Y89	L17-F91 WeakPolarHBondContact CB-O 3.44Å; L20-F91 HydrophobicContact CB-CD1 4.08Å; L20-F91 HydrophobicContact CB-CE1 3.88Å; R24-F91 HydrophobicContact CG-CE1 4.38Å; R24-F91 HydrophobicContact CG-CE2 4.33Å; R24-F91 HydrophobicContact CG-CZ 4Å; I47-F91 HydrophobicContact CB-CZ 4.21Å; I47-F91 HydrophobicContact CD1-CD1 4.37Å; I47-F91 HydrophobicContact CD1-CE1 3.33Å; I47-F91 HydrophobicContact CD1-CZ 3.64Å; I47-F91 HydrophobicContact CG2-CE1 4.04Å; I47-F91 HydrophobicContact CG2-CE2 4.07Å; I47-F91 HydrophobicContact CG2-CZ 3.66Å; L87-F91 VanDerWaalsContact O-CD2 3.24Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 PolarHBondContact O-N 3.46Å; D88-F91 PolarHBondContact O-N 3.28Å; Y89-F91 PolarHBondContact O-N 3.01Å; Y89-F91 VanDerWaalsContact O-N 3.11Å
92	S	91.2	Very high	93.3	Very high	67 Å²	67	59.9 Å²	59.9	47%	0.469	30%	0.3	S	S	.	.	H	α-helix	trans	-98.3	-23.7	-176.2	68.2	0	0	0	0	113.9	D88 Y89 Q94	D88-S92 WeakPolarHBondContact O-CB 3.35Å; D88-S92 PolarHBondContact O-N 3.01Å; D88-S92 PolarHBondContact O-OG 3.07Å; Y89-S92 PolarHBondContact O-N 3.47Å; S92-Q94 PolarHBondContact O-N 2.87Å; S92-Q94 PolarHBondContact OG-N 3.15Å; S92-Q94 PolarHBondContact OG-O 3.33Å; S92-Q94 VanDerWaalsContact OG-O 3.06Å
93	G	90.5	Very high	93.3	Very high	46 Å²	46	65.2 Å²	65.2	47%	0.474	32%	0.324	S	S	.	.	S	Bend	trans	68.6	12.8	-166.6	0	0	0	0	0	113.6	Y89	Y89-G93 WeakPolarHBondContact O-CA 3.18Å; Y89-G93 PolarHBondContact O-N 3.31Å
94	Q	92.3	Very high	93.3	Very high	151 Å²	151	68.8 Å²	68.8	71%	0.706	34%	0.343	S	S	*	.			trans	-126	137.8	-177.1	-62.8	-177.6	-8.8	0	0	109.8	Y89 S92	Y89-Q94 VanDerWaalsContact CA-O 3.3Å; Y89-Q94 WeakPolarHBondContact CA-O 3.36Å; S92-Q94 PolarHBondContact O-N 2.87Å; S92-Q94 PolarHBondContact OG-N 3.15Å; S92-Q94 PolarHBondContact OG-O 3.33Å; S92-Q94 VanDerWaalsContact OG-O 3.06Å
95	I	94.5	Very high	93.5	Very high	31 Å²	31	63.8 Å²	63.8	16%	0.159	33%	0.325	C	S	.	.			trans	-134.7	144	174.7	-166.5	167.8	0	0	0	109.3	Y89 L97 V105 L117 L120	Y89-I95 HydrophobicContact CD2-CB 3.93Å; Y89-I95 HydrophobicContact CD2-CG2 4.25Å; Y89-I95 HydrophobicContact CG-CB 4.25Å; I95-L97 HydrophobicContact CD1-CD2 4.16Å; I95-L97 HydrophobicContact CG1-CD2 4.18Å; I95-L97 HydrophobicContact CG2-CD1 4.39Å; I95-L97 HydrophobicContact CG2-CD2 3.96Å; I95-L97 HydrophobicContact CG2-CG 4Å; I95-V105 HydrophobicContact CD1-CG1 3.71Å; I95-L117 HydrophobicContact CB-CD1 4.35Å; I95-L117 HydrophobicContact CD1-CD1 3.65Å; I95-L117 HydrophobicContact CD1-CD2 4.31Å; I95-L117 HydrophobicContact CG2-CD1 3.78Å; I95-L120 HydrophobicContact CG2-CD1 4.47Å
96	R	93.2	Very high	93.6	Very high	205 Å²	205	60.3 Å²	60.3	77%	0.774	31%	0.308	S	S	*	.			trans	-93.7	112.8	174	-66.1	179.2	180	-137.1	0.8	108.5
97	L	94.1	Very high	93.6	Very high	37 Å²	37	63.6 Å²	63.6	19%	0.194	32%	0.324	C	S	.	.			trans	-101.7	140.1	176	-57	177.8	0	0	0	109.5	I95 I102 V105 F124	I95-L97 HydrophobicContact CD1-CD2 4.16Å; I95-L97 HydrophobicContact CG1-CD2 4.18Å; I95-L97 HydrophobicContact CG2-CD1 4.39Å; I95-L97 HydrophobicContact CG2-CD2 3.96Å; I95-L97 HydrophobicContact CG2-CG 4Å; L97-I102 HydrophobicContact CB-CD1 4.48Å; L97-I102 HydrophobicContact CD1-CD1 4.22Å; L97-I102 HydrophobicContact CD2-CD1 4.11Å; L97-I102 HydrophobicContact CG-CD1 4.5Å; L97-V105 HydrophobicContact CD2-CB 4.38Å; L97-V105 HydrophobicContact CD2-CG1 3.84Å; L97-V105 HydrophobicContact CD2-CG2 4.46Å; L97-F124 HydrophobicContact CB-CB 4.39Å; L97-F124 HydrophobicContact CB-CD1 4.1Å; L97-F124 HydrophobicContact CB-CD2 3.8Å; L97-F124 HydrophobicContact CB-CE1 4.34Å; L97-F124 HydrophobicContact CB-CE2 4.07Å; L97-F124 HydrophobicContact CB-CG 3.82Å; L97-F124 HydrophobicContact CB-CZ 4.34Å; L97-F124 HydrophobicContact CD1-CB 3.61Å; L97-F124 HydrophobicContact CD1-CD2 4.48Å; L97-F124 HydrophobicContact CD1-CG 3.99Å
98	N	93.3	Very high	93.7	Very high	61 Å²	61	63.6 Å²	63.6	33%	0.326	32%	0.324	S	S	.	.			trans	-144.3	163.6	174.3	63.4	67.4	0	0	0	109	D100 T101 I102	N98-D100 PolarHBondContact O-N 2.97Å; N98-D100 WeakPolarHBondContact OD1-CB 3.35Å; N98-D100 PolarHBondContact OD1-N 3.24Å; N98-T101 VanDerWaalsContact CG-OG1 3.23Å; N98-T101 PolarHBondContact ND2-OG1 3.02Å; N98-T101 PolarHBondContact O-N 2.84Å; N98-T101 WeakPolarHBondContact OD1-CG2 3.49Å; N98-T101 PolarHBondContact OD1-N 3.48Å; N98-T101 PolarHBondContact OD1-OG1 2.95Å; N98-T101 VanDerWaalsContact OD1-OG1 3.08Å; N98-I102 VanDerWaalsContact O-CB 3.3Å; N98-I102 WeakPolarHBondContact O-CB 3.39Å; N98-I102 PolarHBondContact O-N 3.02Å
99	E	90.5	Very high	93.9	Very high	135 Å²	135	60.2 Å²	60.2	63%	0.631	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.5	-175.9	-66.5	176.8	-164.1	0	0	113.1	I102 F124	E99-I102 WeakPolarHBondContact O-CG2 3.48Å; E99-F124 HydrophobicContact CG-CZ 4.44Å
100	D	90.3	Very high	93.9	Very high	148 Å²	148	61.6 Å²	61.6	79%	0.791	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-36.1	-179	-58.9	-46.1	0	0	0	112.5	N98	N98-D100 PolarHBondContact O-N 2.97Å; N98-D100 WeakPolarHBondContact OD1-CB 3.35Å; N98-D100 PolarHBondContact OD1-N 3.24Å
101	T	92.3	Very high	94	Very high	43 Å²	43	63.6 Å²	63.6	26%	0.264	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-11.7	-174	68	0	0	0	0	113.7	N98 Q103 D104 V105	N98-T101 VanDerWaalsContact CG-OG1 3.23Å; N98-T101 PolarHBondContact ND2-OG1 3.02Å; N98-T101 PolarHBondContact O-N 2.84Å; N98-T101 WeakPolarHBondContact OD1-CG2 3.49Å; N98-T101 PolarHBondContact OD1-N 3.48Å; N98-T101 PolarHBondContact OD1-OG1 2.95Å; N98-T101 VanDerWaalsContact OD1-OG1 3.08Å; T101-Q103 PolarHBondContact O-N 3.33Å; T101-D104 PolarHBondContact O-N 3.1Å; T101-V105 VanDerWaalsContact O-CG2 3.3Å; T101-V105 WeakPolarHBondContact O-CG2 3.19Å; T101-V105 PolarHBondContact O-N 3.13Å
102	I	95.1	Very high	94.2	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-57.8	-37.4	-173.3	-174.5	60.8	0	0	0	112.6	L97 N98 E99 V105 V106 C121 F124 L125	L97-I102 HydrophobicContact CB-CD1 4.48Å; L97-I102 HydrophobicContact CD1-CD1 4.22Å; L97-I102 HydrophobicContact CD2-CD1 4.11Å; L97-I102 HydrophobicContact CG-CD1 4.5Å; N98-I102 VanDerWaalsContact O-CB 3.3Å; N98-I102 WeakPolarHBondContact O-CB 3.39Å; N98-I102 PolarHBondContact O-N 3.02Å; E99-I102 WeakPolarHBondContact O-CG2 3.48Å; I102-V105 PolarHBondContact O-N 3Å; I102-V106 HydrophobicContact CD1-CG2 4.13Å; I102-V106 HydrophobicContact CG1-CG2 4.34Å; I102-V106 WeakPolarHBondContact O-CB 3.45Å; I102-V106 WeakPolarHBondContact O-CG2 3.26Å; I102-V106 PolarHBondContact O-N 3.27Å; I102-C121 HydrophobicContact CD1-CB 3.85Å; I102-F124 HydrophobicContact CB-CD1 4.24Å; I102-F124 HydrophobicContact CB-CE1 4.04Å; I102-F124 HydrophobicContact CD1-CD1 3.65Å; I102-F124 HydrophobicContact CD1-CE1 4.29Å; I102-F124 HydrophobicContact CD1-CG 4.44Å; I102-F124 HydrophobicContact CG1-CD1 3.77Å; I102-F124 HydrophobicContact CG1-CE1 4.09Å; I102-F124 HydrophobicContact CG2-CE1 4.45Å; I102-L125 HydrophobicContact CG1-CD2 3.76Å; I102-L125 HydrophobicContact CG1-CG 3.96Å; I102-L125 HydrophobicContact CG2-CD2 4.33Å
103	Q	94.9	Very high	94.4	Very high	119 Å²	119	64.1 Å²	64.1	56%	0.556	32%	0.324	S	S	*	.	H	α-helix	trans	-63	-48.4	-179.8	-63.2	-171.4	20.8	0	0	111.2	T101 V105 V106 Q107 F140	T101-Q103 PolarHBondContact O-N 3.33Å; Q103-V105 VanDerWaalsContact C-N 3.35Å; Q103-V105 PolarHBondContact O-N 3.43Å; Q103-V106 PolarHBondContact O-N 3.23Å; Q103-Q107 WeakPolarHBondContact O-CB 3.38Å; Q103-Q107 PolarHBondContact O-N 2.81Å; Q103-F140 HydrophobicContact CB-CE2 3.76Å; Q103-F140 HydrophobicContact CB-CZ 4.14Å; Q103-F140 HydrophobicContact CG-CD2 4.2Å; Q103-F140 HydrophobicContact CG-CE2 3.77Å; Q103-F140 HydrophobicContact CG-CZ 4.22Å
104	D	95.4	Very high	94.7	Very high	74 Å²	74	62.6 Å²	62.6	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-38.8	178.7	-59.4	-39	0	0	0	111.8	V82 T101 Q107 A108	V82-D104 HydrophobicContact CG1-CB 4.42Å; V82-D104 HydrophobicContact CG2-CB 3.58Å; T101-D104 PolarHBondContact O-N 3.1Å; D104-Q107 PolarHBondContact O-N 3.34Å; D104-A108 VanDerWaalsContact O-CB 3.26Å; D104-A108 WeakPolarHBondContact O-CB 3.24Å; D104-A108 PolarHBondContact O-N 2.9Å
105	V	96.7	Very high	94.7	Very high	3 Å²	3	60 Å²	60	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-43.2	178.8	175.6	0	0	0	0	110.9	V82 I95 L97 T101 I102 Q103 A108 A109 L117	V82-V105 HydrophobicContact CG1-CG2 4.11Å; I95-V105 HydrophobicContact CD1-CG1 3.71Å; L97-V105 HydrophobicContact CD2-CB 4.38Å; L97-V105 HydrophobicContact CD2-CG1 3.84Å; L97-V105 HydrophobicContact CD2-CG2 4.46Å; T101-V105 VanDerWaalsContact O-CG2 3.3Å; T101-V105 WeakPolarHBondContact O-CG2 3.19Å; T101-V105 PolarHBondContact O-N 3.13Å; I102-V105 PolarHBondContact O-N 3Å; Q103-V105 VanDerWaalsContact C-N 3.35Å; Q103-V105 PolarHBondContact O-N 3.43Å; V105-A108 PolarHBondContact O-N 2.91Å; V105-A109 VanDerWaalsContact O-CB 3.23Å; V105-A109 WeakPolarHBondContact O-CB 3.46Å; V105-A109 PolarHBondContact O-N 2.91Å; V105-L117 HydrophobicContact CG1-CD1 4.49Å; V105-L117 HydrophobicContact CG1-CD2 4.46Å
106	V	97	Very high	94.6	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-44.9	175.5	166.2	0	0	0	0	111	I102 Q103 A108 A109 D110 C121 L125 F140 Y144 L146	I102-V106 HydrophobicContact CD1-CG2 4.13Å; I102-V106 HydrophobicContact CG1-CG2 4.34Å; I102-V106 WeakPolarHBondContact O-CB 3.45Å; I102-V106 WeakPolarHBondContact O-CG2 3.26Å; I102-V106 PolarHBondContact O-N 3.27Å; Q103-V106 PolarHBondContact O-N 3.23Å; V106-A108 VanDerWaalsContact C-N 3.31Å; V106-A108 PolarHBondContact O-N 2.64Å; V106-A109 PolarHBondContact O-N 3.45Å; V106-D110 WeakPolarHBondContact O-CB 3.48Å; V106-D110 PolarHBondContact O-N 3.42Å; V106-C121 HydrophobicContact CG2-CB 3.39Å; V106-L125 HydrophobicContact CG2-CD1 4.35Å; V106-F140 HydrophobicContact CB-CE1 4Å; V106-F140 HydrophobicContact CB-CZ 3.71Å; V106-F140 HydrophobicContact CG1-CE1 3.74Å; V106-F140 HydrophobicContact CG1-CZ 3.65Å; V106-F140 HydrophobicContact CG2-CE1 4.11Å; V106-F140 HydrophobicContact CG2-CZ 4.24Å; V106-Y144 HydrophobicContact CG1-CD1 4.32Å; V106-Y144 HydrophobicContact CG1-CD2 3.96Å; V106-Y144 HydrophobicContact CG1-CG 3.84Å; V106-L146 HydrophobicContact CG1-CD1 4.24Å
107	Q	96	Very high	94.7	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-47.6	176.5	-180	177.1	-23.3	0	0	111.2	G77 Q103 D104 D110 L111 Y144	G77-Q107 PolarHBondContact O-NE2 2.63Å; Q103-Q107 WeakPolarHBondContact O-CB 3.38Å; Q103-Q107 PolarHBondContact O-N 2.81Å; D104-Q107 PolarHBondContact O-N 3.34Å; Q107-D110 PolarHBondContact O-N 3.05Å; Q107-L111 WeakPolarHBondContact O-CB 3.18Å; Q107-L111 PolarHBondContact O-N 2.92Å; Q107-Y144 HydrophobicContact CB-CE1 4.11Å; Q107-Y144 VanDerWaalsContact CB-OH 3.31Å; Q107-Y144 WeakPolarHBondContact CB-OH 3.41Å; Q107-Y144 HydrophobicContact CG-CE1 4.25Å; Q107-Y144 VanDerWaalsContact CG-OH 3.32Å; Q107-Y144 WeakPolarHBondContact CG-OH 3.39Å; Q107-Y144 PolarHBondContact OE1-OH 3.4Å
108	A	96.4	Very high	94.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-40.2	178.5	0	0	0	0	0	112.1	I78 V82 I86 D104 V105 V106 D110 L111 L112	I78-A108 HydrophobicContact CD1-CB 3.83Å; I78-A108 HydrophobicContact CG1-CB 3.86Å; I78-A108 HydrophobicContact CG2-CB 3.91Å; V82-A108 HydrophobicContact CG1-CB 3.88Å; I86-A108 HydrophobicContact CD1-CB 3.35Å; D104-A108 VanDerWaalsContact O-CB 3.26Å; D104-A108 WeakPolarHBondContact O-CB 3.24Å; D104-A108 PolarHBondContact O-N 2.9Å; V105-A108 PolarHBondContact O-N 2.91Å; V106-A108 VanDerWaalsContact C-N 3.31Å; V106-A108 PolarHBondContact O-N 2.64Å; A108-D110 VanDerWaalsContact C-N 3.33Å; A108-D110 PolarHBondContact O-N 2.82Å; A108-L111 PolarHBondContact O-N 2.83Å; A108-L112 VanDerWaalsContact O-CB 3.23Å; A108-L112 WeakPolarHBondContact O-CB 3.38Å; A108-L112 VanDerWaalsContact O-CG 3.22Å; A108-L112 WeakPolarHBondContact O-CG 3.48Å; A108-L112 PolarHBondContact O-N 3.36Å
109	A	96.8	Very high	94.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-40	175.3	0	0	0	0	0	111.9	V105 V106 L113 L114 L117 K118	V105-A109 VanDerWaalsContact O-CB 3.23Å; V105-A109 WeakPolarHBondContact O-CB 3.46Å; V105-A109 PolarHBondContact O-N 2.91Å; V106-A109 PolarHBondContact O-N 3.45Å; A109-L113 PolarHBondContact O-N 2.66Å; A109-L114 HydrophobicContact CB-CB 4.37Å; A109-L114 PolarHBondContact O-N 3.33Å; A109-L117 HydrophobicContact CB-CB 4.26Å; A109-L117 HydrophobicContact CB-CD2 3.81Å; A109-L117 HydrophobicContact CB-CG 3.87Å; A109-K118 HydrophobicContact CB-CB 4.47Å
110	D	95.8	Very high	94.9	Very high	59 Å²	59	49.8 Å²	49.8	32%	0.316	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-50.1	175.9	-168.4	70.5	0	0	0	111.6	V106 Q107 A108 L112 L113 K118 Y144	V106-D110 WeakPolarHBondContact O-CB 3.48Å; V106-D110 PolarHBondContact O-N 3.42Å; Q107-D110 PolarHBondContact O-N 3.05Å; A108-D110 VanDerWaalsContact C-N 3.33Å; A108-D110 PolarHBondContact O-N 2.82Å; D110-L112 VanDerWaalsContact C-N 3.3Å; D110-L112 PolarHBondContact O-N 3.31Å; D110-L113 WeakPolarHBondContact O-CD2 3.32Å; D110-L113 PolarHBondContact O-N 3.17Å; D110-K118 IonicContact OD1-NZ 3.31Å; D110-K118 PolarHBondContact OD1-NZ 2.82Å; D110-Y144 HydrophobicContact CB-CD1 3.98Å; D110-Y144 HydrophobicContact CB-CE1 4.42Å
111	L	95.5	Very high	95.2	Very high	65 Å²	65	42.8 Å²	42.8	34%	0.34	23%	0.228	S	C	.	.	H	α-helix	trans	-58	-42.9	177.7	-170.6	104.6	0	0	0	112.1	I78 Q107 A108 L113	I78-L111 HydrophobicContact CD1-CD2 3.52Å; I78-L111 HydrophobicContact CG1-CD2 3.97Å; Q107-L111 WeakPolarHBondContact O-CB 3.18Å; Q107-L111 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 2.83Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 3.33Å
112	L	96.1	Very high	95.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.5	-179.6	-64.5	175.9	0	0	0	113.3	S52 Y54 I55 L75 I78 M83 I86 A108 D110 L114	S52-L112 WeakPolarHBondContact CB-O 3.4Å; S52-L112 PolarHBondContact OG-O 2.99Å; Y54-L112 HydrophobicContact CD1-CD2 4.21Å; I55-L112 HydrophobicContact CD1-CD2 4.09Å; I55-L112 HydrophobicContact CG1-CD2 4.15Å; L75-L112 HydrophobicContact CD1-CD2 3.98Å; L75-L112 HydrophobicContact CD2-CD2 4.43Å; I78-L112 HydrophobicContact CD1-CD1 3.94Å; I78-L112 HydrophobicContact CD1-CD2 4.2Å; I78-L112 HydrophobicContact CD1-CG 3.87Å; M83-L112 HydrophobicContact CE-CD1 4.31Å; M83-L112 HydrophobicContact SD-CD1 3.99Å; I86-L112 HydrophobicContact CD1-CD1 4.36Å; I86-L112 HydrophobicContact CG2-CD1 4.17Å; A108-L112 VanDerWaalsContact O-CB 3.23Å; A108-L112 WeakPolarHBondContact O-CB 3.38Å; A108-L112 VanDerWaalsContact O-CG 3.22Å; A108-L112 WeakPolarHBondContact O-CG 3.48Å; A108-L112 PolarHBondContact O-N 3.36Å; D110-L112 VanDerWaalsContact C-N 3.3Å; D110-L112 PolarHBondContact O-N 3.31Å; L112-L114 VanDerWaalsContact C-N 3.28Å; L112-L114 HydrophobicContact CB-CD1 3.99Å; L112-L114 HydrophobicContact CB-CG 3.79Å; L112-L114 HydrophobicContact CD1-CD1 4.11Å; L112-L114 PolarHBondContact O-N 3.45Å
113	L	95.9	Very high	95.3	Very high	89 Å²	89	44.9 Å²	44.9	47%	0.466	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	39.4	-177.2	-56.1	173.2	0	0	0	112.9	P53 A109 D110 L111 T115	P53-L113 HydrophobicContact CB-CB 4.29Å; P53-L113 HydrophobicContact CB-CD1 4.25Å; P53-L113 WeakPolarHBondContact CD-O 3.22Å; P53-L113 HydrophobicContact CG-CB 4.25Å; A109-L113 PolarHBondContact O-N 2.66Å; D110-L113 WeakPolarHBondContact O-CD2 3.32Å; D110-L113 PolarHBondContact O-N 3.17Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 3.33Å; L113-T115 PolarHBondContact O-N 3.28Å
114	L	96.1	Very high	95.4	Very high	13 Å²	13	41.9 Å²	41.9	7%	0.068	22%	0.222	C	C	.	.			trans	-86.9	82.4	177.2	-60.5	177.2	0	0	0	109.9	A51 I86 A109 L112 D116 L117 K118	A51-L114 WeakPolarHBondContact O-CD2 3.28Å; I86-L114 HydrophobicContact CG2-CD1 3.67Å; A109-L114 HydrophobicContact CB-CB 4.37Å; A109-L114 PolarHBondContact O-N 3.33Å; L112-L114 VanDerWaalsContact C-N 3.28Å; L112-L114 HydrophobicContact CB-CD1 3.99Å; L112-L114 HydrophobicContact CB-CG 3.79Å; L112-L114 HydrophobicContact CD1-CD1 4.11Å; L112-L114 PolarHBondContact O-N 3.45Å; L114-D116 PolarHBondContact O-N 2.73Å; L114-L117 HydrophobicContact CB-CB 3.87Å; L114-L117 HydrophobicContact CB-CD2 4.39Å; L114-L117 HydrophobicContact CD1-CD2 3.87Å; L114-L117 PolarHBondContact O-N 2.84Å; L114-K118 PolarHBondContact O-N 2.68Å
115	T	92.9	Very high	95.5	Very high	96 Å²	96	38.7 Å²	38.7	59%	0.589	21%	0.205	S	C	*	.	H	α-helix	trans	-59.3	-45.6	-174.5	52.7	0	0	0	0	113.3	L113 L117 K118 T119	L113-T115 PolarHBondContact O-N 3.28Å; T115-L117 VanDerWaalsContact C-N 3.3Å; T115-L117 PolarHBondContact O-N 3.4Å; T115-K118 WeakPolarHBondContact O-CB 3.3Å; T115-K118 PolarHBondContact O-N 3.48Å; T115-K118 VanDerWaalsContact O-N 3.15Å; T115-T119 PolarHBondContact O-N 3.18Å; T115-T119 PolarHBondContact O-OG1 3.25Å
116	D	92.7	Very high	95.4	Very high	116 Å²	116	40.5 Å²	40.5	62%	0.62	21%	0.213	S	C	*	.	H	α-helix	trans	-67	-35	-177.5	-58.1	-25.8	0	0	0	111.8	L114 T119 L120	L114-D116 PolarHBondContact O-N 2.73Å; D116-T119 PolarHBondContact O-N 3.37Å; D116-L120 PolarHBondContact O-N 3.26Å; D116-L120 VanDerWaalsContact O-N 3.1Å
117	L	95.9	Very high	95.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-42.1	174.1	178.9	56.4	0	0	0	110.7	I86 Y89 I95 V105 A109 L114 T115 T119 L120 C121	I86-L117 HydrophobicContact CD1-CD2 4.45Å; I86-L117 HydrophobicContact CG1-CD2 4.05Å; Y89-L117 HydrophobicContact CD1-CB 4.42Å; Y89-L117 HydrophobicContact CD1-CD1 4.26Å; Y89-L117 HydrophobicContact CD1-CD2 4.13Å; Y89-L117 HydrophobicContact CD2-CD1 4.37Å; Y89-L117 HydrophobicContact CE1-CB 3.75Å; Y89-L117 HydrophobicContact CE1-CD1 4.2Å; Y89-L117 HydrophobicContact CE1-CD2 4.28Å; Y89-L117 HydrophobicContact CE1-CG 4.29Å; Y89-L117 HydrophobicContact CE2-CD1 4.31Å; Y89-L117 HydrophobicContact CG-CD1 4.35Å; I95-L117 HydrophobicContact CB-CD1 4.35Å; I95-L117 HydrophobicContact CD1-CD1 3.65Å; I95-L117 HydrophobicContact CD1-CD2 4.31Å; I95-L117 HydrophobicContact CG2-CD1 3.78Å; V105-L117 HydrophobicContact CG1-CD1 4.49Å; V105-L117 HydrophobicContact CG1-CD2 4.46Å; A109-L117 HydrophobicContact CB-CB 4.26Å; A109-L117 HydrophobicContact CB-CD2 3.81Å; A109-L117 HydrophobicContact CB-CG 3.87Å; L114-L117 HydrophobicContact CB-CB 3.87Å; L114-L117 HydrophobicContact CB-CD2 4.39Å; L114-L117 HydrophobicContact CD1-CD2 3.87Å; L114-L117 PolarHBondContact O-N 2.84Å; T115-L117 VanDerWaalsContact C-N 3.3Å; T115-L117 PolarHBondContact O-N 3.4Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 3.45Å; L117-L120 WeakPolarHBondContact O-CB 3.43Å; L117-L120 PolarHBondContact O-N 3.19Å; L117-L120 VanDerWaalsContact O-N 3.15Å; L117-C121 PolarHBondContact O-N 2.92Å; L117-C121 PolarHBondContact O-SG 3.4Å
118	K	94.7	Very high	95.3	Very high	40 Å²	40	41.5 Å²	41.5	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-39.6	176	-166.9	172.1	176.8	177.5	0	111.4	A109 D110 L114 T115 C121 C122 Y144 L146	A109-K118 HydrophobicContact CB-CB 4.47Å; D110-K118 IonicContact OD1-NZ 3.31Å; D110-K118 PolarHBondContact OD1-NZ 2.82Å; L114-K118 PolarHBondContact O-N 2.68Å; T115-K118 WeakPolarHBondContact O-CB 3.3Å; T115-K118 PolarHBondContact O-N 3.48Å; T115-K118 VanDerWaalsContact O-N 3.15Å; K118-C121 WeakPolarHBondContact O-CB 3.32Å; K118-C121 PolarHBondContact O-N 2.93Å; K118-C122 PolarHBondContact O-N 2.89Å; K118-C122 PolarHBondContact O-SG 3.18Å; K118-C122 VanDerWaalsContact O-SG 3.32Å; K118-Y144 VanDerWaalsContact CE-O 3.26Å; K118-Y144 WeakPolarHBondContact CE-O 3.38Å; K118-Y144 PolarHBondContact NZ-O 2.92Å; K118-L146 HydrophobicContact CD-CD2 4.1Å; K118-L146 HydrophobicContact CG-CD2 3.83Å
119	T	92.9	Very high	95.4	Very high	74 Å²	74	42.7 Å²	42.7	45%	0.454	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-44.2	172.4	-58.5	0	0	0	0	112.3	T115 D116 L117 C121 C122 E123	T115-T119 PolarHBondContact O-N 3.18Å; T115-T119 PolarHBondContact O-OG1 3.25Å; D116-T119 PolarHBondContact O-N 3.37Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 3.45Å; T119-C121 VanDerWaalsContact C-N 3.28Å; T119-C121 PolarHBondContact O-N 3.39Å; T119-C122 WeakPolarHBondContact O-CB 3.26Å; T119-C122 PolarHBondContact O-N 2.84Å; T119-C122 VanDerWaalsContact O-N 3.15Å; T119-E123 PolarHBondContact O-N 3.28Å
120	L	94.3	Very high	95.4	Very high	25 Å²	25	44 Å²	44	13%	0.131	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-38.8	174.1	-75.6	174.8	0	0	0	112.4	Y89 I95 D116 L117 E123 F124	Y89-L120 HydrophobicContact CE2-CD1 3.75Å; I95-L120 HydrophobicContact CG2-CD1 4.47Å; D116-L120 PolarHBondContact O-N 3.26Å; D116-L120 VanDerWaalsContact O-N 3.1Å; L117-L120 WeakPolarHBondContact O-CB 3.43Å; L117-L120 PolarHBondContact O-N 3.19Å; L117-L120 VanDerWaalsContact O-N 3.15Å; L120-E123 PolarHBondContact O-N 2.89Å; L120-F124 PolarHBondContact O-N 3.3Å; L120-F124 VanDerWaalsContact O-N 3.14Å
121	C	96.6	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-38.1	174.5	-64.9	0	0	0	0	112.3	I102 V106 L117 K118 T119 F124 L125	I102-C121 HydrophobicContact CD1-CB 3.85Å; V106-C121 HydrophobicContact CG2-CB 3.39Å; L117-C121 PolarHBondContact O-N 2.92Å; L117-C121 PolarHBondContact O-SG 3.4Å; K118-C121 WeakPolarHBondContact O-CB 3.32Å; K118-C121 PolarHBondContact O-N 2.93Å; T119-C121 VanDerWaalsContact C-N 3.28Å; T119-C121 PolarHBondContact O-N 3.39Å; C121-F124 PolarHBondContact O-N 3Å; C121-L125 WeakPolarHBondContact O-CB 3.31Å; C121-L125 VanDerWaalsContact O-CG 3.31Å; C121-L125 WeakPolarHBondContact O-CG 3.43Å; C121-L125 PolarHBondContact O-N 3.48Å
122	C	95.7	Very high	95.5	Very high	23 Å²	23	44.5 Å²	44.5	16%	0.155	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-49.5	172.6	-67.2	0	0	0	0	111.2	K118 T119 F124 L125 E126 V149	K118-C122 PolarHBondContact O-N 2.89Å; K118-C122 PolarHBondContact O-SG 3.18Å; K118-C122 VanDerWaalsContact O-SG 3.32Å; T119-C122 WeakPolarHBondContact O-CB 3.26Å; T119-C122 PolarHBondContact O-N 2.84Å; T119-C122 VanDerWaalsContact O-N 3.15Å; C122-F124 PolarHBondContact O-N 3.42Å; C122-L125 PolarHBondContact O-N 3.23Å; C122-L125 VanDerWaalsContact O-N 3.11Å; C122-E126 WeakPolarHBondContact O-CB 3.38Å; C122-E126 WeakPolarHBondContact O-CG 3.34Å; C122-E126 PolarHBondContact O-N 3.45Å; C122-V149 HydrophobicContact CB-CG2 3.76Å
123	E	93.8	Very high	95.5	Very high	73 Å²	73	46.1 Å²	46.1	34%	0.341	26%	0.264	S	S	.	.	H	α-helix	trans	-56.3	-38.6	178	-69.4	176.4	-180	0	0	112.2	T119 L120 R444	T119-E123 PolarHBondContact O-N 3.28Å; L120-E123 PolarHBondContact O-N 2.89Å; E123-R444 IonicContact OE2-NH1 2.64Å
124	F	96.3	Very high	95.6	Very high	56 Å²	56	41.9 Å²	41.9	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-69	-48.5	175.2	179.5	-96.9	0	0	0	112	L97 E99 I102 L120 C121 C122 E126 G127 C128	L97-F124 HydrophobicContact CB-CB 4.39Å; L97-F124 HydrophobicContact CB-CD1 4.1Å; L97-F124 HydrophobicContact CB-CD2 3.8Å; L97-F124 HydrophobicContact CB-CE1 4.34Å; L97-F124 HydrophobicContact CB-CE2 4.07Å; L97-F124 HydrophobicContact CB-CG 3.82Å; L97-F124 HydrophobicContact CB-CZ 4.34Å; L97-F124 HydrophobicContact CD1-CB 3.61Å; L97-F124 HydrophobicContact CD1-CD2 4.48Å; L97-F124 HydrophobicContact CD1-CG 3.99Å; E99-F124 HydrophobicContact CG-CZ 4.44Å; I102-F124 HydrophobicContact CB-CD1 4.24Å; I102-F124 HydrophobicContact CB-CE1 4.04Å; I102-F124 HydrophobicContact CD1-CD1 3.65Å; I102-F124 HydrophobicContact CD1-CE1 4.29Å; I102-F124 HydrophobicContact CD1-CG 4.44Å; I102-F124 HydrophobicContact CG1-CD1 3.77Å; I102-F124 HydrophobicContact CG1-CE1 4.09Å; I102-F124 HydrophobicContact CG2-CE1 4.45Å; L120-F124 PolarHBondContact O-N 3.3Å; L120-F124 VanDerWaalsContact O-N 3.14Å; C121-F124 PolarHBondContact O-N 3Å; C122-F124 PolarHBondContact O-N 3.42Å; F124-E126 VanDerWaalsContact C-N 3.3Å; F124-E126 PolarHBondContact O-N 3.04Å; F124-G127 PolarHBondContact O-N 3.41Å; F124-C128 VanDerWaalsContact CE1-SG 3.54Å; F124-C128 PolarHBondContact O-N 2.87Å; F124-C128 PolarHBondContact O-SG 2.93Å
125	L	97.4	Very high	95.6	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-39.9	179.2	-74.6	169.2	0	0	0	112	I102 V106 C121 C122 G127 C128 I129 F140 L146 V149	I102-L125 HydrophobicContact CG1-CD2 3.76Å; I102-L125 HydrophobicContact CG1-CG 3.96Å; I102-L125 HydrophobicContact CG2-CD2 4.33Å; V106-L125 HydrophobicContact CG2-CD1 4.35Å; C121-L125 WeakPolarHBondContact O-CB 3.31Å; C121-L125 VanDerWaalsContact O-CG 3.31Å; C121-L125 WeakPolarHBondContact O-CG 3.43Å; C121-L125 PolarHBondContact O-N 3.48Å; C122-L125 PolarHBondContact O-N 3.23Å; C122-L125 VanDerWaalsContact O-N 3.11Å; L125-G127 PolarHBondContact O-N 2.67Å; L125-C128 PolarHBondContact O-N 3.44Å; L125-I129 WeakPolarHBondContact O-CG1 3.49Å; L125-I129 PolarHBondContact O-N 3.27Å; L125-F140 HydrophobicContact CD1-CD1 4.33Å; L125-F140 HydrophobicContact CD1-CE1 4.07Å; L125-L146 HydrophobicContact CD1-CD1 3.6Å; L125-V149 HydrophobicContact CB-CG1 3.96Å
126	E	95.7	Very high	95.7	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-54.2	-40.9	174	-73	166.5	-150.3	0	0	111.9	C122 F124 C128 H148 V149 L152 K421	C122-E126 WeakPolarHBondContact O-CB 3.38Å; C122-E126 WeakPolarHBondContact O-CG 3.34Å; C122-E126 PolarHBondContact O-N 3.45Å; F124-E126 VanDerWaalsContact C-N 3.3Å; F124-E126 PolarHBondContact O-N 3.04Å; E126-C128 VanDerWaalsContact C-N 3.34Å; E126-H148 IonicContact OE1-CD2 2.83Å; E126-H148 PolarHBondContact OE1-CD2 3.06Å; E126-V149 HydrophobicContact CG-CG2 4.26Å; E126-L152 HydrophobicContact CB-CD1 4.45Å; E126-L152 HydrophobicContact CG-CD1 3.71Å; E126-K421 IonicContact OE1-NZ 3.1Å; E126-K421 IonicContact OE2-NZ 2.83Å; E126-K421 PolarHBondContact OE2-NZ 2.94Å
127	G	94.3	Very high	96	Very high	70 Å²	70	33.8 Å²	33.8	72%	0.722	20%	0.202	S	C	*	.	H	α-helix	trans	-75.8	-17.9	178.1	0	0	0	0	0	114.7	F124 L125	F124-G127 PolarHBondContact O-N 3.41Å; L125-G127 PolarHBondContact O-N 2.67Å
128	C	96.1	Very high	96	Very high	21 Å²	21	35.2 Å²	35.2	14%	0.142	21%	0.208	C	C	.	.	H	α-helix	trans	-91.6	-11.5	-178.8	-71.3	0	0	0	0	113.9	F124 L125 E126 A130 N133 I137	F124-C128 VanDerWaalsContact CE1-SG 3.54Å; F124-C128 PolarHBondContact O-N 2.87Å; F124-C128 PolarHBondContact O-SG 2.93Å; L125-C128 PolarHBondContact O-N 3.44Å; E126-C128 VanDerWaalsContact C-N 3.34Å; C128-A130 PolarHBondContact O-N 3.41Å; C128-N133 PolarHBondContact O-ND2 3.23Å; C128-N133 PolarHBondContact O-OD1 3.04Å; C128-I137 HydrophobicContact CB-CD1 4.31Å
129	I	97.3	Very high	96.1	Very high	26 Å²	26	35.1 Å²	35.1	13%	0.133	21%	0.209	C	C	.	.			trans	-60.1	114.4	-176.4	-62.8	167.8	0	0	0	110.3	L125 C134 I137 L152 A153 Y156	L125-I129 WeakPolarHBondContact O-CG1 3.49Å; L125-I129 PolarHBondContact O-N 3.27Å; I129-C134 HydrophobicContact CG2-CB 4.11Å; I129-I137 HydrophobicContact CG1-CD1 4.19Å; I129-I137 HydrophobicContact CG1-CG2 4.22Å; I129-L152 HydrophobicContact CD1-CB 3.86Å; I129-A153 HydrophobicContact CD1-CB 4.19Å; I129-Y156 HydrophobicContact CG2-CD1 4Å; I129-Y156 HydrophobicContact CG2-CD2 3.9Å; I129-Y156 HydrophobicContact CG2-CG 3.57Å
130	A	97.4	Very high	96.2	Very high	27 Å²	27	33 Å²	33	22%	0.223	19%	0.193	C	C	.	.			trans	-140.2	170.6	179.1	0	0	0	0	0	110.4	C128 E132 N133 C134	C128-A130 PolarHBondContact O-N 3.41Å; A130-E132 VanDerWaalsContact CB-OE2 3.28Å; A130-E132 WeakPolarHBondContact CB-OE2 3.31Å; A130-E132 PolarHBondContact O-N 2.86Å; A130-N133 PolarHBondContact N-OD1 3.35Å; A130-N133 PolarHBondContact O-N 3.34Å; A130-N133 PolarHBondContact O-OD1 2.93Å; A130-N133 VanDerWaalsContact O-OD1 3.11Å; A130-C134 WeakPolarHBondContact O-CB 3.3Å; A130-C134 PolarHBondContact O-N 3.21Å
131	A	97.5	Very high	96.4	Very high	7 Å²	7	31.8 Å²	31.8	6%	0.058	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.9	-176.3	0	0	0	0	0	112.9	Y156 D163 V164 T167	A131-Y156 HydrophobicContact CB-CE1 4.29Å; A131-Y156 PolarHBondContact N-OH 2.88Å; A131-D163 HydrophobicContact CB-CB 3.95Å; A131-V164 HydrophobicContact CB-CG2 4.16Å; A131-T167 HydrophobicContact CB-CG2 4.45Å; A131-T167 WeakPolarHBondContact O-CG2 3.35Å
132	E	96.5	Very high	96.3	Very high	127 Å²	127	36.1 Å²	36.1	59%	0.593	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.1	-176.2	-57.2	77.3	-168.1	0	0	113.4	A130 E169	A130-E132 VanDerWaalsContact CB-OE2 3.28Å; A130-E132 WeakPolarHBondContact CB-OE2 3.31Å; A130-E132 PolarHBondContact O-N 2.86Å; E132-E169 VanDerWaalsContact O-CG 3.24Å; E132-E169 WeakPolarHBondContact O-CG 3.46Å
133	N	95.7	Very high	96.3	Very high	36 Å²	36	41.7 Å²	41.7	19%	0.193	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-5	-170.7	65.4	20.9	0	0	0	114.3	C128 A130 I135 G136 I137 E169	C128-N133 PolarHBondContact O-ND2 3.23Å; C128-N133 PolarHBondContact O-OD1 3.04Å; A130-N133 PolarHBondContact N-OD1 3.35Å; A130-N133 PolarHBondContact O-N 3.34Å; A130-N133 PolarHBondContact O-OD1 2.93Å; A130-N133 VanDerWaalsContact O-OD1 3.11Å; N133-I135 PolarHBondContact O-N 2.95Å; N133-G136 PolarHBondContact O-N 3.09Å; N133-I137 HydrophobicContact CB-CD1 4.25Å; N133-I137 WeakPolarHBondContact O-CG1 3.45Å; N133-I137 PolarHBondContact O-N 3.26Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.14Å; N133-E169 WeakPolarHBondContact CA-OE1 3.49Å; N133-E169 WeakPolarHBondContact CA-OE2 3.34Å
134	C	97.3	Very high	96.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-30	-171	65.2	0	0	0	0	112.9	I129 A130 R138 Y156 V164	I129-C134 HydrophobicContact CG2-CB 4.11Å; A130-C134 WeakPolarHBondContact O-CB 3.3Å; A130-C134 PolarHBondContact O-N 3.21Å; C134-R138 WeakPolarHBondContact O-CB 3.47Å; C134-R138 PolarHBondContact O-N 3.23Å; C134-Y156 HydrophobicContact CB-CD1 3.94Å; C134-Y156 HydrophobicContact CB-CE1 4.48Å; C134-V164 WeakPolarHBondContact SG-CG2 3.47Å
135	I	97.3	Very high	96.3	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-48.9	179	-62.5	174.2	0	0	0	108.8	N133 R138 D139 L157 V164 E169 F170 L173	N133-I135 PolarHBondContact O-N 2.95Å; I135-R138 PolarHBondContact O-N 3.04Å; I135-D139 PolarHBondContact O-N 3.17Å; I135-L157 HydrophobicContact CG1-CD1 4.4Å; I135-V164 HydrophobicContact CD1-CG1 3.63Å; I135-V164 HydrophobicContact CG1-CG1 3.85Å; I135-E169 HydrophobicContact CD1-CB 4.48Å; I135-E169 PolarHBondContact N-OE2 3.43Å; I135-F170 HydrophobicContact CD1-CB 3.94Å; I135-F170 HydrophobicContact CD1-CD2 4.03Å; I135-F170 HydrophobicContact CD1-CG 4.49Å; I135-L173 HydrophobicContact CD1-CD1 4.17Å; I135-L173 HydrophobicContact CD1-CG 4.47Å; I135-L173 HydrophobicContact CG2-CD2 3.55Å; I135-L173 HydrophobicContact CG2-CG 4.42Å
136	G	95.6	Very high	96.2	Very high	31 Å²	31	40.5 Å²	40.5	32%	0.32	24%	0.235	S	C	.	.	H	α-helix	trans	-55.6	-50.7	174	0	0	0	0	0	112.1	N133 R138 D139 F140 E169	N133-G136 PolarHBondContact O-N 3.09Å; G136-R138 VanDerWaalsContact C-N 3.34Å; G136-R138 PolarHBondContact O-N 3.06Å; G136-D139 PolarHBondContact O-N 3.03Å; G136-F140 WeakPolarHBondContact O-CB 3.48Å; G136-F140 PolarHBondContact O-N 3.37Å; G136-E169 PolarHBondContact N-OE2 2.95Å
137	I	97.1	Very high	96.2	Very high	16 Å²	16	41.8 Å²	41.8	8%	0.082	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-43.4	177.7	-67.7	173.5	0	0	0	111.1	C128 I129 N133 D139 F140 A141 V149 A153	C128-I137 HydrophobicContact CB-CD1 4.31Å; I129-I137 HydrophobicContact CG1-CD1 4.19Å; I129-I137 HydrophobicContact CG1-CG2 4.22Å; N133-I137 HydrophobicContact CB-CD1 4.25Å; N133-I137 WeakPolarHBondContact O-CG1 3.45Å; N133-I137 PolarHBondContact O-N 3.26Å; N133-I137 WeakPolarHBondContact OD1-CD1 3.14Å; I137-D139 PolarHBondContact O-N 3.31Å; I137-F140 PolarHBondContact O-N 2.85Å; I137-A141 WeakPolarHBondContact O-CB 3.46Å; I137-A141 PolarHBondContact O-N 3.23Å; I137-V149 HydrophobicContact CG2-CG1 3.72Å; I137-A153 HydrophobicContact CG2-CB 4.32Å
138	R	97.2	Very high	96.2	Very high	31 Å²	31	39.8 Å²	39.8	12%	0.117	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-44.1	-180	-179.1	179.7	171.7	-84.9	-0.4	112.3	C134 I135 G136 L142 H150 A153 T154	C134-R138 WeakPolarHBondContact O-CB 3.47Å; C134-R138 PolarHBondContact O-N 3.23Å; I135-R138 PolarHBondContact O-N 3.04Å; G136-R138 VanDerWaalsContact C-N 3.34Å; G136-R138 PolarHBondContact O-N 3.06Å; R138-L142 PolarHBondContact O-N 3.36Å; R138-H150 WeakPolarHBondContact CG-ND1 3.43Å; R138-H150 PolarHBondContact O-ND1 3.19Å; R138-A153 HydrophobicContact CB-CB 3.79Å; R138-A153 HydrophobicContact CG-CB 4.42Å; R138-T154 WeakPolarHBondContact CD-OG1 3.31Å; R138-T154 PolarHBondContact NE-OG1 2.81Å
139	D	95.9	Very high	96.3	Very high	38 Å²	38	38.9 Å²	38.9	20%	0.203	21%	0.206	C	C	.	.	H	α-helix	trans	-72.7	-41.8	179.6	-74.4	-7.2	0	0	0	111.4	I135 G136 I137 L142 H143 K177	I135-D139 PolarHBondContact O-N 3.17Å; G136-D139 PolarHBondContact O-N 3.03Å; I137-D139 PolarHBondContact O-N 3.31Å; D139-L142 PolarHBondContact O-N 2.97Å; D139-H143 PolarHBondContact O-N 3.23Å; D139-K177 VanDerWaalsContact OD2-CE 3.3Å; D139-K177 WeakPolarHBondContact OD2-CE 3.42Å; D139-K177 IonicContact OD2-NZ 3.76Å; D139-K177 PolarHBondContact OD2-NZ 3.15Å
140	F	96.4	Very high	96.3	Very high	28 Å²	28	39.4 Å²	39.4	12%	0.123	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-46.1	174.5	179.4	-94.1	0	0	0	111.7	Q103 V106 L125 G136 I137 L142 H143 Y144 L146	Q103-F140 HydrophobicContact CB-CE2 3.76Å; Q103-F140 HydrophobicContact CB-CZ 4.14Å; Q103-F140 HydrophobicContact CG-CD2 4.2Å; Q103-F140 HydrophobicContact CG-CE2 3.77Å; Q103-F140 HydrophobicContact CG-CZ 4.22Å; V106-F140 HydrophobicContact CB-CE1 4Å; V106-F140 HydrophobicContact CB-CZ 3.71Å; V106-F140 HydrophobicContact CG1-CE1 3.74Å; V106-F140 HydrophobicContact CG1-CZ 3.65Å; V106-F140 HydrophobicContact CG2-CE1 4.11Å; V106-F140 HydrophobicContact CG2-CZ 4.24Å; L125-F140 HydrophobicContact CD1-CD1 4.33Å; L125-F140 HydrophobicContact CD1-CE1 4.07Å; G136-F140 WeakPolarHBondContact O-CB 3.48Å; G136-F140 PolarHBondContact O-N 3.37Å; I137-F140 PolarHBondContact O-N 2.85Å; F140-L142 VanDerWaalsContact C-N 3.3Å; F140-L142 PolarHBondContact O-N 3.11Å; F140-H143 WeakPolarHBondContact O-CB 3.1Å; F140-H143 PolarHBondContact O-N 3.4Å; F140-H143 VanDerWaalsContact O-N 3.17Å; F140-Y144 HydrophobicContact CD1-CD2 4.3Å; F140-Y144 AromaticContact CD2-CD2 3.96Å; F140-Y144 HydrophobicContact CD2-CD2 3.96Å; F140-Y144 AromaticContact CD2-CE2 3.81Å; F140-Y144 HydrophobicContact CD2-CE2 3.81Å; F140-Y144 AromaticContact CE1-CD2 3.92Å; F140-Y144 HydrophobicContact CE1-CD2 3.92Å; F140-Y144 HydrophobicContact CE1-CE2 4.39Å; F140-Y144 AromaticContact CE2-CD2 3.58Å; F140-Y144 HydrophobicContact CE2-CD2 3.58Å; F140-Y144 AromaticContact CE2-CE2 3.24Å; F140-Y144 HydrophobicContact CE2-CE2 3.24Å; F140-Y144 HydrophobicContact CG-CD2 4.3Å; F140-Y144 AromaticContact CZ-CD2 3.53Å; F140-Y144 HydrophobicContact CZ-CD2 3.53Å; F140-Y144 AromaticContact CZ-CE2 3.56Å; F140-Y144 HydrophobicContact CZ-CE2 3.56Å; F140-Y144 PolarHBondContact O-N 3.45Å; F140-Y144 VanDerWaalsContact O-N 3.12Å; F140-L146 HydrophobicContact CE1-CD1 4.27Å
141	A	97.2	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-40.9	176.7	0	0	0	0	0	111.5	I137 C145 L146 V149 H150	I137-A141 WeakPolarHBondContact O-CB 3.46Å; I137-A141 PolarHBondContact O-N 3.23Å; A141-C145 CarbonylContact O-C 3.49Å; A141-C145 PolarHBondContact O-N 3.15Å; A141-C145 VanDerWaalsContact O-N 3.1Å; A141-L146 HydrophobicContact CB-CB 3.93Å; A141-L146 PolarHBondContact O-N 2.9Å; A141-V149 HydrophobicContact CB-CB 4.04Å; A141-V149 HydrophobicContact CB-CG1 4.04Å; A141-H150 HydrophobicContact CB-CB 3.84Å
142	L	95.2	Very high	96.3	Very high	92 Å²	92	42.7 Å²	42.7	48%	0.482	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-40.6	175.7	-174.7	61.4	0	0	0	111.9	R138 D139 F140 Y144 C145	R138-L142 PolarHBondContact O-N 3.36Å; D139-L142 PolarHBondContact O-N 2.97Å; F140-L142 VanDerWaalsContact C-N 3.3Å; F140-L142 PolarHBondContact O-N 3.11Å; L142-Y144 VanDerWaalsContact C-N 3.34Å; L142-Y144 PolarHBondContact O-N 3.26Å; L142-C145 PolarHBondContact O-N 3.18Å
143	H	95.6	Very high	96.4	Very high	139 Å²	139	36.7 Å²	36.7	64%	0.644	19%	0.189	S	C	*	.	H	α-helix	trans	-60.7	-41.7	179.5	-173.4	78.9	0	0	0	112.6	D139 F140	D139-H143 PolarHBondContact O-N 3.23Å; F140-H143 WeakPolarHBondContact O-CB 3.1Å; F140-H143 PolarHBondContact O-N 3.4Å; F140-H143 VanDerWaalsContact O-N 3.17Å
144	Y	95.3	Very high	96.5	Very high	28 Å²	28	35.9 Å²	35.9	11%	0.11	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	15	-179.9	-68.3	-72.5	0	0	0	113.9	V106 Q107 D110 K118 F140 L142 L146	V106-Y144 HydrophobicContact CG1-CD1 4.32Å; V106-Y144 HydrophobicContact CG1-CD2 3.96Å; V106-Y144 HydrophobicContact CG1-CG 3.84Å; Q107-Y144 HydrophobicContact CB-CE1 4.11Å; Q107-Y144 VanDerWaalsContact CB-OH 3.31Å; Q107-Y144 WeakPolarHBondContact CB-OH 3.41Å; Q107-Y144 HydrophobicContact CG-CE1 4.25Å; Q107-Y144 VanDerWaalsContact CG-OH 3.32Å; Q107-Y144 WeakPolarHBondContact CG-OH 3.39Å; Q107-Y144 PolarHBondContact OE1-OH 3.4Å; D110-Y144 HydrophobicContact CB-CD1 3.98Å; D110-Y144 HydrophobicContact CB-CE1 4.42Å; K118-Y144 VanDerWaalsContact CE-O 3.26Å; K118-Y144 WeakPolarHBondContact CE-O 3.38Å; K118-Y144 PolarHBondContact NZ-O 2.92Å; F140-Y144 HydrophobicContact CD1-CD2 4.3Å; F140-Y144 AromaticContact CD2-CD2 3.96Å; F140-Y144 HydrophobicContact CD2-CD2 3.96Å; F140-Y144 AromaticContact CD2-CE2 3.81Å; F140-Y144 HydrophobicContact CD2-CE2 3.81Å; F140-Y144 AromaticContact CE1-CD2 3.92Å; F140-Y144 HydrophobicContact CE1-CD2 3.92Å; F140-Y144 HydrophobicContact CE1-CE2 4.39Å; F140-Y144 AromaticContact CE2-CD2 3.58Å; F140-Y144 HydrophobicContact CE2-CD2 3.58Å; F140-Y144 AromaticContact CE2-CE2 3.24Å; F140-Y144 HydrophobicContact CE2-CE2 3.24Å; F140-Y144 HydrophobicContact CG-CD2 4.3Å; F140-Y144 AromaticContact CZ-CD2 3.53Å; F140-Y144 HydrophobicContact CZ-CD2 3.53Å; F140-Y144 AromaticContact CZ-CE2 3.56Å; F140-Y144 HydrophobicContact CZ-CE2 3.56Å; F140-Y144 PolarHBondContact O-N 3.45Å; F140-Y144 VanDerWaalsContact O-N 3.12Å; L142-Y144 VanDerWaalsContact C-N 3.34Å; L142-Y144 PolarHBondContact O-N 3.26Å; Y144-L146 PolarHBondContact O-N 3.17Å
145	C	94.1	Very high	96.4	Very high	76 Å²	76	37.3 Å²	37.3	51%	0.514	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	33.9	-179.1	-56.1	0	0	0	0	114.1	A141 L142 H147	A141-C145 CarbonylContact O-C 3.49Å; A141-C145 PolarHBondContact O-N 3.15Å; A141-C145 VanDerWaalsContact O-N 3.1Å; L142-C145 PolarHBondContact O-N 3.18Å; C145-H147 PolarHBondContact O-CD2 3.47Å; C145-H147 PolarHBondContact O-N 3.42Å
146	L	95.8	Very high	96.5	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.202	C	C	.	.			trans	-81.9	65.1	172.1	-46.8	-174.4	0	0	0	109.5	V106 K118 L125 F140 A141 Y144 H148 V149 H150	V106-L146 HydrophobicContact CG1-CD1 4.24Å; K118-L146 HydrophobicContact CD-CD2 4.1Å; K118-L146 HydrophobicContact CG-CD2 3.83Å; L125-L146 HydrophobicContact CD1-CD1 3.6Å; F140-L146 HydrophobicContact CE1-CD1 4.27Å; A141-L146 HydrophobicContact CB-CB 3.93Å; A141-L146 PolarHBondContact O-N 2.9Å; Y144-L146 PolarHBondContact O-N 3.17Å; L146-H148 VanDerWaalsContact C-N 3.34Å; L146-H148 PolarHBondContact O-N 3.11Å; L146-V149 HydrophobicContact CB-CB 4.08Å; L146-V149 HydrophobicContact CB-CG2 4.11Å; L146-V149 PolarHBondContact O-N 3.47Å; L146-V149 VanDerWaalsContact O-N 3.17Å; L146-H150 PolarHBondContact O-N 3.38Å
147	H	95.1	Very high	96.6	Very high	69 Å²	69	38.5 Å²	38.5	32%	0.319	19%	0.187	S	C	.	.	H	α-helix	trans	-61.4	-37	-165	-60.8	-60.7	0	0	0	114.5	C145 H150 Y151 Y397	C145-H147 PolarHBondContact O-CD2 3.47Å; C145-H147 PolarHBondContact O-N 3.42Å; H147-H150 WeakPolarHBondContact O-CB 3.12Å; H147-H150 PolarHBondContact O-N 2.93Å; H147-Y151 PolarHBondContact O-N 2.95Å; H147-Y397 VanDerWaalsContact C-OH 3.26Å; H147-Y397 HydrophobicContact CB-CD1 3.46Å; H147-Y397 VanDerWaalsContact CB-CD1 3.46Å; H147-Y397 HydrophobicContact CB-CD2 4Å; H147-Y397 HydrophobicContact CB-CE1 3.23Å; H147-Y397 HydrophobicContact CB-CE2 3.75Å; H147-Y397 HydrophobicContact CB-CG 3.84Å; H147-Y397 AromaticContact CD2-CD1 3.94Å; H147-Y397 AromaticContact CD2-CG 3.81Å; H147-Y397 AromaticContact CG-CD1 3.8Å; H147-Y397 PolarHBondContact O-OH 2.96Å
148	H	95.4	Very high	96.6	Very high	28 Å²	28	38.7 Å²	38.7	13%	0.13	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-44.4	177	-177.5	59.6	0	0	0	111.7	E126 L146 H150 Y151 L152 E325 D373 Y397	E126-H148 IonicContact OE1-CD2 2.83Å; E126-H148 PolarHBondContact OE1-CD2 3.06Å; L146-H148 VanDerWaalsContact C-N 3.34Å; L146-H148 PolarHBondContact O-N 3.11Å; H148-H150 VanDerWaalsContact C-N 3.3Å; H148-H150 PolarHBondContact O-N 2.78Å; H148-Y151 WeakPolarHBondContact O-CB 3.4Å; H148-Y151 PolarHBondContact O-N 2.99Å; H148-L152 WeakPolarHBondContact NE2-CD1 3.32Å; H148-L152 WeakPolarHBondContact O-CG 3.47Å; H148-L152 PolarHBondContact O-N 3.31Å; H148-E325 IonicContact CE1-OE1 2.76Å; H148-E325 PolarHBondContact CE1-OE1 2.92Å; H148-E325 IonicContact CG-OE1 3.98Å; H148-E325 IonicContact ND1-OE1 3.58Å; H148-E325 PolarHBondContact ND1-OE1 3.36Å; H148-E325 IonicContact ND1-OE2 3.45Å; H148-D373 IonicContact NE2-OD1 3.32Å; H148-Y397 WeakPolarHBondContact CA-OH 3.18Å; H148-Y397 HydrophobicContact CB-CE2 4.5Å; H148-Y397 PolarHBondContact N-OH 3.27Å; H148-Y397 VanDerWaalsContact N-OH 3.08Å
149	V	97.5	Very high	96.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-41.3	174.9	-176.7	0	0	0	0	110.8	C122 L125 E126 I137 A141 L146 Y151 L152 A153	C122-V149 HydrophobicContact CB-CG2 3.76Å; L125-V149 HydrophobicContact CB-CG1 3.96Å; E126-V149 HydrophobicContact CG-CG2 4.26Å; I137-V149 HydrophobicContact CG2-CG1 3.72Å; A141-V149 HydrophobicContact CB-CB 4.04Å; A141-V149 HydrophobicContact CB-CG1 4.04Å; L146-V149 HydrophobicContact CB-CB 4.08Å; L146-V149 HydrophobicContact CB-CG2 4.11Å; L146-V149 PolarHBondContact O-N 3.47Å; L146-V149 VanDerWaalsContact O-N 3.17Å; V149-Y151 VanDerWaalsContact C-N 3.34Å; V149-Y151 PolarHBondContact O-N 3.24Å; V149-L152 PolarHBondContact O-N 2.81Å; V149-A153 VanDerWaalsContact O-CB 3.31Å; V149-A153 WeakPolarHBondContact O-CB 3.36Å; V149-A153 PolarHBondContact O-N 3.15Å
150	H	97.4	Very high	96.6	Very high	38 Å²	38	40.4 Å²	40.4	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-42.5	175.9	175.5	83.1	0	0	0	112.3	R138 A141 L146 H147 H148 T154	R138-H150 WeakPolarHBondContact CG-ND1 3.43Å; R138-H150 PolarHBondContact O-ND1 3.19Å; A141-H150 HydrophobicContact CB-CB 3.84Å; L146-H150 PolarHBondContact O-N 3.38Å; H147-H150 WeakPolarHBondContact O-CB 3.12Å; H147-H150 PolarHBondContact O-N 2.93Å; H148-H150 VanDerWaalsContact C-N 3.3Å; H148-H150 PolarHBondContact O-N 2.78Å; H150-T154 WeakPolarHBondContact O-CB 3.21Å; H150-T154 PolarHBondContact O-N 2.68Å; H150-T154 PolarHBondContact O-OG1 2.81Å
151	Y	96.9	Very high	96.7	Very high	52 Å²	52	39 Å²	39	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-49.9	176.1	167.8	-101	0	0	0	111.6	H147 H148 V149 A153 T154 E155 E325 G326	H147-Y151 PolarHBondContact O-N 2.95Å; H148-Y151 WeakPolarHBondContact O-CB 3.4Å; H148-Y151 PolarHBondContact O-N 2.99Å; V149-Y151 VanDerWaalsContact C-N 3.34Å; V149-Y151 PolarHBondContact O-N 3.24Å; Y151-A153 VanDerWaalsContact C-N 3.33Å; Y151-A153 PolarHBondContact O-N 3.24Å; Y151-T154 CarbonylContact O-C 3.58Å; Y151-T154 WeakPolarHBondContact O-CA 3.47Å; Y151-T154 WeakPolarHBondContact O-CB 3.34Å; Y151-T154 PolarHBondContact O-N 3.18Å; Y151-E155 HydrophobicContact CD1-CG 4.46Å; Y151-E155 HydrophobicContact CD2-CG 4.3Å; Y151-E155 HydrophobicContact CE1-CG 3.95Å; Y151-E155 WeakPolarHBondContact CE1-OE2 3.47Å; Y151-E155 HydrophobicContact CE2-CG 3.79Å; Y151-E155 PolarHBondContact O-N 3.45Å; Y151-E155 PolarHBondContact OH-OE1 3.29Å; Y151-E155 PolarHBondContact OH-OE2 3.48Å; Y151-E325 WeakPolarHBondContact CB-OE2 3.21Å; Y151-E325 WeakPolarHBondContact CD1-OE2 3.18Å; Y151-E325 HydrophobicContact CD2-CB 4.34Å; Y151-E325 HydrophobicContact CE2-CB 4.47Å; Y151-E325 HydrophobicContact CG-CB 4.45Å; Y151-E325 VanDerWaalsContact CZ-C 3.47Å; Y151-G326 VanDerWaalsContact CE2-N 3.35Å; Y151-G326 PolarHBondContact OH-N 2.88Å; Y151-G326 VanDerWaalsContact OH-N 3.1Å
152	L	97.6	Very high	96.6	Very high	51 Å²	51	44.7 Å²	44.7	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-42.1	178.4	-69.8	175.2	0	0	0	112.2	E126 I129 H148 V149 T154 E155 Y156	E126-L152 HydrophobicContact CB-CD1 4.45Å; E126-L152 HydrophobicContact CG-CD1 3.71Å; I129-L152 HydrophobicContact CD1-CB 3.86Å; H148-L152 WeakPolarHBondContact NE2-CD1 3.32Å; H148-L152 WeakPolarHBondContact O-CG 3.47Å; H148-L152 PolarHBondContact O-N 3.31Å; V149-L152 PolarHBondContact O-N 2.81Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 2.97Å; L152-E155 PolarHBondContact O-N 2.95Å; L152-Y156 WeakPolarHBondContact O-CB 3.36Å; L152-Y156 PolarHBondContact O-N 2.9Å
153	A	98.2	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-35	175.5	0	0	0	0	0	111.9	I129 I137 R138 V149 Y151 L157	I129-A153 HydrophobicContact CD1-CB 4.19Å; I137-A153 HydrophobicContact CG2-CB 4.32Å; R138-A153 HydrophobicContact CB-CB 3.79Å; R138-A153 HydrophobicContact CG-CB 4.42Å; V149-A153 VanDerWaalsContact O-CB 3.31Å; V149-A153 WeakPolarHBondContact O-CB 3.36Å; V149-A153 PolarHBondContact O-N 3.15Å; Y151-A153 VanDerWaalsContact C-N 3.33Å; Y151-A153 PolarHBondContact O-N 3.24Å; A153-L157 WeakPolarHBondContact O-CB 3.19Å; A153-L157 PolarHBondContact O-N 2.83Å
154	T	97.7	Very high	96.7	Very high	19 Å²	19	38 Å²	38	12%	0.117	18%	0.183	C	C	.	.	H	α-helix	trans	-68.2	-45.7	173.9	-58.6	0	0	0	0	111.4	R138 H150 Y151 L152 Y156 L157 E158	R138-T154 WeakPolarHBondContact CD-OG1 3.31Å; R138-T154 PolarHBondContact NE-OG1 2.81Å; H150-T154 WeakPolarHBondContact O-CB 3.21Å; H150-T154 PolarHBondContact O-N 2.68Å; H150-T154 PolarHBondContact O-OG1 2.81Å; Y151-T154 CarbonylContact O-C 3.58Å; Y151-T154 WeakPolarHBondContact O-CA 3.47Å; Y151-T154 WeakPolarHBondContact O-CB 3.34Å; Y151-T154 PolarHBondContact O-N 3.18Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 2.97Å; T154-Y156 VanDerWaalsContact C-N 3.29Å; T154-Y156 PolarHBondContact O-N 3.21Å; T154-L157 WeakPolarHBondContact O-CB 3.47Å; T154-L157 PolarHBondContact O-N 2.62Å; T154-E158 HydrophobicContact CG2-CG 4.45Å; T154-E158 WeakPolarHBondContact O-CB 3.45Å; T154-E158 WeakPolarHBondContact O-CG 3.16Å; T154-E158 PolarHBondContact O-N 2.86Å
155	E	96.8	Very high	96.8	Very high	31 Å²	31	37 Å²	37	15%	0.145	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-39.9	175.5	-73	-148.8	93.1	0	0	111.9	Y151 L152 E158 T159 R574	Y151-E155 HydrophobicContact CD1-CG 4.46Å; Y151-E155 HydrophobicContact CD2-CG 4.3Å; Y151-E155 HydrophobicContact CE1-CG 3.95Å; Y151-E155 WeakPolarHBondContact CE1-OE2 3.47Å; Y151-E155 HydrophobicContact CE2-CG 3.79Å; Y151-E155 PolarHBondContact O-N 3.45Å; Y151-E155 PolarHBondContact OH-OE1 3.29Å; Y151-E155 PolarHBondContact OH-OE2 3.48Å; L152-E155 PolarHBondContact O-N 2.95Å; E155-E158 PolarHBondContact O-N 3.35Å; E155-T159 VanDerWaalsContact O-CB 3.31Å; E155-T159 WeakPolarHBondContact O-CB 3.07Å; E155-T159 PolarHBondContact O-N 3.13Å; E155-T159 PolarHBondContact O-OG1 3.05Å; E155-R574 VanDerWaalsContact OE1-CD 3.27Å; E155-R574 WeakPolarHBondContact OE1-CD 3.42Å; E155-R574 IonicContact OE1-CZ 3.67Å; E155-R574 IonicContact OE1-NE 3.84Å; E155-R574 IonicContact OE1-NH1 2.73Å; E155-R574 PolarHBondContact OE1-NH1 2.85Å
156	Y	98.1	Very high	96.9	Very high	63 Å²	63	37.1 Å²	37.1	25%	0.247	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-49.6	175.1	-173.7	-83.3	0	0	0	111.1	I129 A131 C134 L152 T154 E158 T159 H160 V164	I129-Y156 HydrophobicContact CG2-CD1 4Å; I129-Y156 HydrophobicContact CG2-CD2 3.9Å; I129-Y156 HydrophobicContact CG2-CG 3.57Å; A131-Y156 HydrophobicContact CB-CE1 4.29Å; A131-Y156 PolarHBondContact N-OH 2.88Å; C134-Y156 HydrophobicContact CB-CD1 3.94Å; C134-Y156 HydrophobicContact CB-CE1 4.48Å; L152-Y156 WeakPolarHBondContact O-CB 3.36Å; L152-Y156 PolarHBondContact O-N 2.9Å; T154-Y156 VanDerWaalsContact C-N 3.29Å; T154-Y156 PolarHBondContact O-N 3.21Å; Y156-E158 VanDerWaalsContact C-N 3.31Å; Y156-E158 PolarHBondContact O-N 3.32Å; Y156-T159 PolarHBondContact O-N 3.22Å; Y156-T159 VanDerWaalsContact O-N 3.15Å; Y156-H160 HydrophobicContact CD1-CB 4.29Å; Y156-H160 AromaticContact CD2-CD2 3.73Å; Y156-H160 HydrophobicContact CE1-CB 3.9Å; Y156-H160 AromaticContact CE2-CD2 3.6Å; Y156-H160 AromaticContact CZ-CD2 3.83Å; Y156-H160 WeakPolarHBondContact O-CB 3.25Å; Y156-H160 PolarHBondContact O-N 3.13Å; Y156-V164 HydrophobicContact CE1-CG2 4.35Å
157	L	98	Very high	96.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-55.7	-45.1	176	172.7	69.2	0	0	0	111.8	I135 A153 T154 F161 V164 V181 L184	I135-L157 HydrophobicContact CG1-CD1 4.4Å; A153-L157 WeakPolarHBondContact O-CB 3.19Å; A153-L157 PolarHBondContact O-N 2.83Å; T154-L157 WeakPolarHBondContact O-CB 3.47Å; T154-L157 PolarHBondContact O-N 2.62Å; L157-F161 HydrophobicContact CD1-CD2 4.34Å; L157-F161 WeakPolarHBondContact O-CA 3.25Å; L157-F161 WeakPolarHBondContact O-CB 3.29Å; L157-F161 PolarHBondContact O-N 3.33Å; L157-V164 HydrophobicContact CD1-CB 4.04Å; L157-V164 HydrophobicContact CD1-CG1 3.56Å; L157-V164 HydrophobicContact CD1-CG2 4.18Å; L157-V181 HydrophobicContact CD1-CG1 4.26Å; L157-V181 HydrophobicContact CD2-CG1 4.08Å; L157-V181 HydrophobicContact CD2-CG2 4.11Å; L157-L184 HydrophobicContact CD2-CD1 4.02Å
158	E	97.4	Very high	97	Very high	20 Å²	20	41.8 Å²	41.8	9%	0.093	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-41.2	177.9	-72.2	-179.4	151.5	0	0	111.6	T154 E155 Y156 L184 K186 L187 N188	T154-E158 HydrophobicContact CG2-CG 4.45Å; T154-E158 WeakPolarHBondContact O-CB 3.45Å; T154-E158 WeakPolarHBondContact O-CG 3.16Å; T154-E158 PolarHBondContact O-N 2.86Å; E155-E158 PolarHBondContact O-N 3.35Å; Y156-E158 VanDerWaalsContact C-N 3.31Å; Y156-E158 PolarHBondContact O-N 3.32Å; E158-L184 HydrophobicContact CG-CB 4.5Å; E158-L184 HydrophobicContact CG-CD1 4Å; E158-K186 HydrophobicContact CB-CB 4.41Å; E158-K186 HydrophobicContact CG-CB 4.26Å; E158-K186 WeakPolarHBondContact OE2-CB 3.45Å; E158-L187 HydrophobicContact CG-CD2 4.31Å; E158-N188 WeakPolarHBondContact O-CB 3.46Å; E158-N188 PolarHBondContact O-N 2.89Å
159	T	96.8	Very high	96.9	Very high	33 Å²	33	43.1 Å²	43.1	20%	0.202	21%	0.211	C	C	.	.	H	α-helix	trans	-73.3	-40.4	-177.8	-55.8	0	0	0	0	112.6	E155 Y156 Y271	E155-T159 VanDerWaalsContact O-CB 3.31Å; E155-T159 WeakPolarHBondContact O-CB 3.07Å; E155-T159 PolarHBondContact O-N 3.13Å; E155-T159 PolarHBondContact O-OG1 3.05Å; Y156-T159 PolarHBondContact O-N 3.22Å; Y156-T159 VanDerWaalsContact O-N 3.15Å; T159-Y271 PolarHBondContact OG1-OH 3.5Å
160	H	96.9	Very high	96.9	Very high	72 Å²	72	43.1 Å²	43.1	33%	0.333	21%	0.211	S	C	.	.	S	Bend	trans	-113	23.2	-171	-64.4	-76.6	0	0	0	113.5	Y156 R162 D163 V164	Y156-H160 HydrophobicContact CD1-CB 4.29Å; Y156-H160 AromaticContact CD2-CD2 3.73Å; Y156-H160 HydrophobicContact CE1-CB 3.9Å; Y156-H160 AromaticContact CE2-CD2 3.6Å; Y156-H160 AromaticContact CZ-CD2 3.83Å; Y156-H160 WeakPolarHBondContact O-CB 3.25Å; Y156-H160 PolarHBondContact O-N 3.13Å; H160-R162 PolarHBondContact O-N 3.38Å; H160-D163 IonicContact ND1-OD2 3.86Å; H160-D163 PolarHBondContact O-N 3.31Å; H160-V164 PolarHBondContact O-N 2.78Å; H160-V164 VanDerWaalsContact O-N 3.14Å
161	F	97.2	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-49.3	-35.4	-174.8	-179.4	-97.1	0	0	0	114.4	L157 D163 V164 S165 F170 V181 I182 L187 V189 V195 A198	L157-F161 HydrophobicContact CD1-CD2 4.34Å; L157-F161 WeakPolarHBondContact O-CA 3.25Å; L157-F161 WeakPolarHBondContact O-CB 3.29Å; L157-F161 PolarHBondContact O-N 3.33Å; F161-D163 VanDerWaalsContact C-N 3.35Å; F161-D163 PolarHBondContact O-N 2.91Å; F161-V164 PolarHBondContact O-N 2.91Å; F161-S165 WeakPolarHBondContact O-CB 3.25Å; F161-S165 PolarHBondContact O-N 3.47Å; F161-S165 PolarHBondContact O-OG 2.93Å; F161-F170 AromaticContact CE2-CE2 3.93Å; F161-F170 HydrophobicContact CE2-CE2 3.93Å; F161-F170 HydrophobicContact CZ-CE2 4.12Å; F161-F170 HydrophobicContact CZ-CZ 4.25Å; F161-V181 HydrophobicContact CD2-CG1 4.28Å; F161-V181 HydrophobicContact CE2-CG1 3.73Å; F161-I182 HydrophobicContact CZ-CG2 4.38Å; F161-L187 HydrophobicContact CB-CD2 4.16Å; F161-L187 HydrophobicContact CD1-CD1 4.49Å; F161-L187 HydrophobicContact CD2-CD1 3.96Å; F161-L187 HydrophobicContact CD2-CD2 3.67Å; F161-L187 HydrophobicContact CD2-CG 4.38Å; F161-L187 HydrophobicContact CE1-CD1 4.49Å; F161-L187 HydrophobicContact CE2-CD1 3.99Å; F161-L187 HydrophobicContact CE2-CD2 4.38Å; F161-L187 HydrophobicContact CG-CD1 4.21Å; F161-L187 HydrophobicContact CG-CD2 4.03Å; F161-L187 HydrophobicContact CZ-CD1 4.25Å; F161-V189 HydrophobicContact CB-CG1 4.19Å; F161-V189 HydrophobicContact CD1-CG1 3.34Å; F161-V189 HydrophobicContact CE1-CG1 4.09Å; F161-V189 HydrophobicContact CG-CG1 4.09Å; F161-V195 HydrophobicContact CE1-CB 4.43Å; F161-V195 HydrophobicContact CE1-CG2 3.98Å; F161-V195 HydrophobicContact CZ-CG1 4.47Å; F161-A198 HydrophobicContact CE1-CB 4.33Å; F161-A198 HydrophobicContact CZ-CB 4.3Å
162	R	95.3	Very high	96.7	Very high	118 Å²	118	46.9 Å²	46.9	45%	0.445	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-43.3	179.8	-68.1	-176.9	66.1	-162.6	-4.6	112	H160 S165 S166 V189 Y194	H160-R162 PolarHBondContact O-N 3.38Å; R162-S165 PolarHBondContact O-OG 3.49Å; R162-S166 PolarHBondContact O-OG 2.84Å; R162-S166 VanDerWaalsContact O-OG 3.06Å; R162-V189 HydrophobicContact CG-CG1 4.46Å; R162-Y194 PolarHBondContact NH2-OH 3.41Å
163	D	96.7	Very high	96.7	Very high	91 Å²	91	44.9 Å²	44.9	49%	0.487	22%	0.22	S	C	.	.	H	α-helix	trans	-70.3	-47.4	179.6	-55.2	-39	0	0	0	109	A131 H160 F161 S165 S166	A131-D163 HydrophobicContact CB-CB 3.95Å; H160-D163 IonicContact ND1-OD2 3.86Å; H160-D163 PolarHBondContact O-N 3.31Å; F161-D163 VanDerWaalsContact C-N 3.35Å; F161-D163 PolarHBondContact O-N 2.91Å; D163-S165 VanDerWaalsContact C-N 3.33Å; D163-S165 PolarHBondContact O-N 3.27Å; D163-S166 WeakPolarHBondContact O-CB 3.18Å; D163-S166 PolarHBondContact O-N 3.11Å
164	V	97.5	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-41.8	177.2	-178.6	0	0	0	0	112.4	A131 C134 I135 Y156 L157 H160 F161 S166 T167 F170	A131-V164 HydrophobicContact CB-CG2 4.16Å; C134-V164 WeakPolarHBondContact SG-CG2 3.47Å; I135-V164 HydrophobicContact CD1-CG1 3.63Å; I135-V164 HydrophobicContact CG1-CG1 3.85Å; Y156-V164 HydrophobicContact CE1-CG2 4.35Å; L157-V164 HydrophobicContact CD1-CB 4.04Å; L157-V164 HydrophobicContact CD1-CG1 3.56Å; L157-V164 HydrophobicContact CD1-CG2 4.18Å; H160-V164 PolarHBondContact O-N 2.78Å; H160-V164 VanDerWaalsContact O-N 3.14Å; F161-V164 PolarHBondContact O-N 2.91Å; V164-S166 PolarHBondContact O-N 3.39Å; V164-T167 PolarHBondContact O-N 3.25Å; V164-T167 VanDerWaalsContact O-N 3.09Å; V164-T167 PolarHBondContact O-OG1 3.45Å; V164-F170 WeakPolarHBondContact O-CB 3.24Å
165	S	96.3	Very high	96.4	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.042	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.3	-179.7	73.5	0	0	0	0	114	F161 R162 D163 R201	F161-S165 WeakPolarHBondContact O-CB 3.25Å; F161-S165 PolarHBondContact O-N 3.47Å; F161-S165 PolarHBondContact O-OG 2.93Å; R162-S165 PolarHBondContact O-OG 3.49Å; D163-S165 VanDerWaalsContact C-N 3.33Å; D163-S165 PolarHBondContact O-N 3.27Å; S165-R201 PolarHBondContact O-NH1 2.7Å
166	S	95.8	Very high	96.3	Very high	79 Å²	79	51.6 Å²	51.6	55%	0.552	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.7	179.9	-53.5	0	0	0	0	112.9	R162 D163 V164	R162-S166 PolarHBondContact O-OG 2.84Å; R162-S166 VanDerWaalsContact O-OG 3.06Å; D163-S166 WeakPolarHBondContact O-CB 3.18Å; D163-S166 PolarHBondContact O-N 3.11Å; V164-S166 PolarHBondContact O-N 3.39Å
167	T	97.2	Very high	96.2	Very high	20 Å²	20	52.7 Å²	52.7	12%	0.123	27%	0.265	C	S	.	.	S	Bend	trans	-91	162.4	-175.7	70.1	0	0	0	0	112.8	A131 V164 F170 L171	A131-T167 HydrophobicContact CB-CG2 4.45Å; A131-T167 WeakPolarHBondContact O-CG2 3.35Å; V164-T167 PolarHBondContact O-N 3.25Å; V164-T167 VanDerWaalsContact O-N 3.09Å; V164-T167 PolarHBondContact O-OG1 3.45Å; T167-F170 PolarHBondContact O-N 2.82Å; T167-L171 PolarHBondContact O-N 3.42Å
168	E	95.5	Very high	96.1	Very high	154 Å²	154	52.6 Å²	52.6	72%	0.72	27%	0.265	S	S	*	.	H	α-helix	trans	-66.2	-39.6	178.3	-66.5	-174.4	167.3	0	0	111.8	F170 L171 E172	E168-F170 PolarHBondContact O-N 2.97Å; E168-L171 CarbonylContact O-C 3.59Å; E168-L171 WeakPolarHBondContact O-CA 3.47Å; E168-L171 WeakPolarHBondContact O-CB 3.47Å; E168-L171 PolarHBondContact O-N 3.04Å; E168-E172 PolarHBondContact O-N 2.94Å
169	E	94.5	Very high	96.1	Very high	57 Å²	57	54.2 Å²	54.2	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-55	-39.3	176.4	-74.3	-161.7	166.9	0	0	112.5	E132 N133 I135 G136 L171 E172 L173	E132-E169 VanDerWaalsContact O-CG 3.24Å; E132-E169 WeakPolarHBondContact O-CG 3.46Å; N133-E169 WeakPolarHBondContact CA-OE1 3.49Å; N133-E169 WeakPolarHBondContact CA-OE2 3.34Å; I135-E169 HydrophobicContact CD1-CB 4.48Å; I135-E169 PolarHBondContact N-OE2 3.43Å; G136-E169 PolarHBondContact N-OE2 2.95Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 3.23Å; E169-E172 PolarHBondContact O-N 3.15Å; E169-L173 PolarHBondContact O-N 2.93Å
170	F	97.1	Very high	96	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-37.8	176.2	-175.9	-90.6	0	0	0	111.7	I135 F161 V164 T167 E168 E172 L173 L178 V181 A198 W202	I135-F170 HydrophobicContact CD1-CB 3.94Å; I135-F170 HydrophobicContact CD1-CD2 4.03Å; I135-F170 HydrophobicContact CD1-CG 4.49Å; F161-F170 AromaticContact CE2-CE2 3.93Å; F161-F170 HydrophobicContact CE2-CE2 3.93Å; F161-F170 HydrophobicContact CZ-CE2 4.12Å; F161-F170 HydrophobicContact CZ-CZ 4.25Å; V164-F170 WeakPolarHBondContact O-CB 3.24Å; T167-F170 PolarHBondContact O-N 2.82Å; E168-F170 PolarHBondContact O-N 2.97Å; F170-E172 VanDerWaalsContact C-N 3.3Å; F170-E172 PolarHBondContact O-N 3.31Å; F170-L173 HydrophobicContact CD2-CD1 3.82Å; F170-L173 HydrophobicContact CE2-CD1 4.12Å; F170-L173 HydrophobicContact CG-CD1 4.36Å; F170-L173 WeakPolarHBondContact O-CB 3.22Å; F170-L173 WeakPolarHBondContact O-CG 3.23Å; F170-L173 PolarHBondContact O-N 3.12Å; F170-L178 HydrophobicContact CE1-CD1 3.96Å; F170-L178 HydrophobicContact CE2-CD1 3.78Å; F170-L178 HydrophobicContact CZ-CD1 3.3Å; F170-V181 HydrophobicContact CE2-CG1 4.28Å; F170-A198 HydrophobicContact CE1-CB 3.89Å; F170-A198 HydrophobicContact CZ-CB 3.93Å; F170-W202 HydrophobicContact CE1-CB 4.34Å
171	L	95.8	Very high	95.9	Very high	26 Å²	26	53.7 Å²	53.7	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-28.8	177	-61	179.4	0	0	0	112	T167 E168 E169 L173 R201 H205 R210	T167-L171 PolarHBondContact O-N 3.42Å; E168-L171 CarbonylContact O-C 3.59Å; E168-L171 WeakPolarHBondContact O-CA 3.47Å; E168-L171 WeakPolarHBondContact O-CB 3.47Å; E168-L171 PolarHBondContact O-N 3.04Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 3.23Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 3.15Å; L171-R201 HydrophobicContact CD2-CB 4.38Å; L171-R201 HydrophobicContact CD2-CG 3.81Å; L171-H205 HydrophobicContact CD2-CB 4.47Å; L171-R210 PolarHBondContact O-NH1 2.97Å; L171-R210 PolarHBondContact O-NH2 3.41Å
172	E	95.2	Very high	95.8	Very high	143 Å²	143	53.7 Å²	53.7	67%	0.668	27%	0.267	S	S	*	.	H	α-helix	trans	-81.4	-7	179.1	-67.4	-175.4	168.1	0	0	114	E168 E169 F170 S174	E168-E172 PolarHBondContact O-N 2.94Å; E169-E172 PolarHBondContact O-N 3.15Å; F170-E172 VanDerWaalsContact C-N 3.3Å; F170-E172 PolarHBondContact O-N 3.31Å; E172-S174 PolarHBondContact O-N 3.45Å
173	L	96.3	Very high	95.8	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.047	26%	0.264	C	S	.	.			trans	-54.9	139.7	178.7	-75.3	-179.9	0	0	0	113	I135 E169 F170 L171 K177 L178 V181 W202	I135-L173 HydrophobicContact CD1-CD1 4.17Å; I135-L173 HydrophobicContact CD1-CG 4.47Å; I135-L173 HydrophobicContact CG2-CD2 3.55Å; I135-L173 HydrophobicContact CG2-CG 4.42Å; E169-L173 PolarHBondContact O-N 2.93Å; F170-L173 HydrophobicContact CD2-CD1 3.82Å; F170-L173 HydrophobicContact CE2-CD1 4.12Å; F170-L173 HydrophobicContact CG-CD1 4.36Å; F170-L173 WeakPolarHBondContact O-CB 3.22Å; F170-L173 WeakPolarHBondContact O-CG 3.23Å; F170-L173 PolarHBondContact O-N 3.12Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 3.15Å; L173-K177 HydrophobicContact CD2-CB 3.88Å; L173-K177 HydrophobicContact CD2-CD 4.2Å; L173-L178 HydrophobicContact CB-CB 4.33Å; L173-L178 HydrophobicContact CD1-CB 4.45Å; L173-L178 HydrophobicContact CD1-CD1 4.32Å; L173-V181 HydrophobicContact CD1-CG2 4.41Å; L173-W202 WeakPolarHBondContact O-CZ2 3.43Å; L173-W202 PolarHBondContact O-NE1 3.04Å
174	S	95	Very high	95.8	Very high	51 Å²	51	47.9 Å²	47.9	36%	0.357	25%	0.249	S	C	.	.			trans	-68	157.5	167.6	77.2	0	0	0	0	110.9	E172 Q176 K177 L178	E172-S174 PolarHBondContact O-N 3.45Å; S174-Q176 PolarHBondContact O-N 3.41Å; S174-Q176 VanDerWaalsContact O-N 3.17Å; S174-K177 PolarHBondContact O-N 3.43Å; S174-K177 WeakPolarHBondContact OG-CG 3.38Å; S174-K177 PolarHBondContact OG-N 3.17Å; S174-L178 WeakPolarHBondContact O-CB 3.4Å; S174-L178 PolarHBondContact O-N 2.94Å
175	P	95	Very high	95.6	Very high	32 Å²	32	50 Å²	50	21%	0.208	26%	0.259	C	S	.	.	H	α-helix	trans	-55.8	-36.8	179.5	-21	28.4	0	0	0	113.1	K179 W202 H213 V217	P175-K179 WeakPolarHBondContact O-CB 3.5Å; P175-K179 PolarHBondContact O-N 2.99Å; P175-K179 VanDerWaalsContact O-N 3.09Å; P175-W202 HydrophobicContact CB-CH2 4.05Å; P175-W202 HydrophobicContact CB-CZ2 4.4Å; P175-W202 HydrophobicContact CG-CH2 3.91Å; P175-W202 HydrophobicContact CG-CZ2 4.13Å; P175-H213 HydrophobicContact CB-CB 3.93Å; P175-H213 HydrophobicContact CG-CB 4.1Å; P175-V217 HydrophobicContact CB-CG2 4.36Å
176	Q	95.1	Very high	95.6	Very high	109 Å²	109	50.8 Å²	50.8	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-68.9	-47.5	-179.6	-160.6	70.1	34.1	0	0	111.6	S174 K179 E180	S174-Q176 PolarHBondContact O-N 3.41Å; S174-Q176 VanDerWaalsContact O-N 3.17Å; Q176-K179 WeakPolarHBondContact O-CB 3.37Å; Q176-K179 PolarHBondContact O-N 3.4Å; Q176-E180 WeakPolarHBondContact O-CG 3.42Å; Q176-E180 PolarHBondContact O-N 3.24Å
177	K	95.3	Very high	95.6	Very high	85 Å²	85	47 Å²	47	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-65.6	-40.4	178.2	-70.9	-177.7	176.4	-170.9	0	111.7	D139 L173 S174 K179 E180 V181	D139-K177 VanDerWaalsContact OD2-CE 3.3Å; D139-K177 WeakPolarHBondContact OD2-CE 3.42Å; D139-K177 IonicContact OD2-NZ 3.76Å; D139-K177 PolarHBondContact OD2-NZ 3.15Å; L173-K177 HydrophobicContact CD2-CB 3.88Å; L173-K177 HydrophobicContact CD2-CD 4.2Å; S174-K177 PolarHBondContact O-N 3.43Å; S174-K177 WeakPolarHBondContact OG-CG 3.38Å; S174-K177 PolarHBondContact OG-N 3.17Å; K177-K179 VanDerWaalsContact C-N 3.29Å; K177-K179 PolarHBondContact O-N 3.14Å; K177-E180 WeakPolarHBondContact O-CB 3.29Å; K177-E180 PolarHBondContact O-N 3.1Å; K177-V181 WeakPolarHBondContact O-CG2 3.39Å; K177-V181 PolarHBondContact O-N 3.03Å
178	L	96.7	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-46.2	173.9	176.6	64.9	0	0	0	111	F170 L173 S174 E180 V181 I182 W202 V217	F170-L178 HydrophobicContact CE1-CD1 3.96Å; F170-L178 HydrophobicContact CE2-CD1 3.78Å; F170-L178 HydrophobicContact CZ-CD1 3.3Å; L173-L178 HydrophobicContact CB-CB 4.33Å; L173-L178 HydrophobicContact CD1-CB 4.45Å; L173-L178 HydrophobicContact CD1-CD1 4.32Å; S174-L178 WeakPolarHBondContact O-CB 3.4Å; S174-L178 PolarHBondContact O-N 2.94Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-E180 PolarHBondContact O-N 2.89Å; L178-V181 PolarHBondContact O-N 3.31Å; L178-I182 HydrophobicContact CD1-CG2 3.89Å; L178-I182 HydrophobicContact CG-CG2 4.44Å; L178-I182 WeakPolarHBondContact O-CG1 3.23Å; L178-I182 PolarHBondContact O-N 3.32Å; L178-W202 HydrophobicContact CD2-CB 4.19Å; L178-W202 HydrophobicContact CD2-CD2 3.32Å; L178-W202 HydrophobicContact CD2-CE3 3.51Å; L178-W202 HydrophobicContact CD2-CG 3.61Å; L178-W202 HydrophobicContact CD2-CH2 4.38Å; L178-W202 HydrophobicContact CD2-CZ2 4.22Å; L178-W202 HydrophobicContact CD2-CZ3 4.05Å; L178-V217 HydrophobicContact CD2-CG1 3.58Å; L178-V217 HydrophobicContact CD2-CG2 4.26Å; L178-V217 HydrophobicContact CG-CG1 4.16Å
179	K	95.9	Very high	95.3	Very high	54 Å²	54	42.7 Å²	42.7	24%	0.235	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-44.9	177.7	-171.4	-180	177.5	169.2	0	111.8	P175 Q176 K177 S183 D216 A220	P175-K179 WeakPolarHBondContact O-CB 3.5Å; P175-K179 PolarHBondContact O-N 2.99Å; P175-K179 VanDerWaalsContact O-N 3.09Å; Q176-K179 WeakPolarHBondContact O-CB 3.37Å; Q176-K179 PolarHBondContact O-N 3.4Å; K177-K179 VanDerWaalsContact C-N 3.29Å; K177-K179 PolarHBondContact O-N 3.14Å; K179-S183 WeakPolarHBondContact O-CB 3.37Å; K179-S183 PolarHBondContact O-N 2.91Å; K179-S183 PolarHBondContact O-OG 2.73Å; K179-D216 IonicContact NZ-OD1 2.69Å; K179-D216 PolarHBondContact NZ-OD1 3.08Å; K179-D216 IonicContact NZ-OD2 3.09Å; K179-A220 HydrophobicContact CG-CB 3.62Å
180	E	95.1	Very high	94.9	Very high	90 Å²	90	43.9 Å²	43.9	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-50.1	175.6	-71	169	-161.4	0	0	111.1	Q176 K177 L178 S183	Q176-E180 WeakPolarHBondContact O-CG 3.42Å; Q176-E180 PolarHBondContact O-N 3.24Å; K177-E180 WeakPolarHBondContact O-CB 3.29Å; K177-E180 PolarHBondContact O-N 3.1Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-E180 PolarHBondContact O-N 2.89Å; E180-S183 PolarHBondContact O-N 3.25Å; E180-S183 PolarHBondContact O-OG 3.19Å
181	V	96.4	Very high	94.4	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-51.6	179.8	169.8	0	0	0	0	111.9	L157 F161 F170 L173 K177 L178 S183 L184	L157-V181 HydrophobicContact CD1-CG1 4.26Å; L157-V181 HydrophobicContact CD2-CG1 4.08Å; L157-V181 HydrophobicContact CD2-CG2 4.11Å; F161-V181 HydrophobicContact CD2-CG1 4.28Å; F161-V181 HydrophobicContact CE2-CG1 3.73Å; F170-V181 HydrophobicContact CE2-CG1 4.28Å; L173-V181 HydrophobicContact CD1-CG2 4.41Å; K177-V181 WeakPolarHBondContact O-CG2 3.39Å; K177-V181 PolarHBondContact O-N 3.03Å; L178-V181 PolarHBondContact O-N 3.31Å; V181-S183 PolarHBondContact O-N 2.79Å; V181-L184 WeakPolarHBondContact O-CB 3.44Å; V181-L184 WeakPolarHBondContact O-CG 3.37Å; V181-L184 PolarHBondContact O-N 2.78Å
182	I	95.2	Very high	94.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71	-16.3	-178.2	70.2	-176.6	0	0	0	112.8	F161 L178 L184 V195 V199 V217 A220 R269	F161-I182 HydrophobicContact CZ-CG2 4.38Å; L178-I182 HydrophobicContact CD1-CG2 3.89Å; L178-I182 HydrophobicContact CG-CG2 4.44Å; L178-I182 WeakPolarHBondContact O-CG1 3.23Å; L178-I182 PolarHBondContact O-N 3.32Å; I182-L184 VanDerWaalsContact C-N 3.32Å; I182-V195 HydrophobicContact CB-CG1 3.9Å; I182-V195 HydrophobicContact CG2-CG1 3.89Å; I182-V199 HydrophobicContact CD1-CG2 3.96Å; I182-V199 HydrophobicContact CG2-CG2 4.32Å; I182-V217 HydrophobicContact CD1-CG1 3.83Å; I182-A220 HydrophobicContact CD1-CB 4.04Å; I182-A220 HydrophobicContact CG1-CB 3.92Å; I182-R269 VanDerWaalsContact O-CZ 3.25Å; I182-R269 PolarHBondContact O-NH1 3.46Å; I182-R269 PolarHBondContact O-NH2 3.04Å
183	S	94.6	Very high	93.9	Very high	55 Å²	55	44 Å²	44	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-77.6	-16.5	176.2	75.4	0	0	0	0	113.8	K179 E180 V181 E185	K179-S183 WeakPolarHBondContact O-CB 3.37Å; K179-S183 PolarHBondContact O-N 2.91Å; K179-S183 PolarHBondContact O-OG 2.73Å; E180-S183 PolarHBondContact O-N 3.25Å; E180-S183 PolarHBondContact O-OG 3.19Å; V181-S183 PolarHBondContact O-N 2.79Å; S183-E185 PolarHBondContact O-N 3.24Å
184	L	95.4	Very high	93.7	Very high	33 Å²	33	45.8 Å²	45.8	17%	0.173	25%	0.248	C	C	.	.			trans	-57.8	124.5	-178.3	-67	174.3	0	0	0	111.5	L157 E158 V181 I182 K186 L187 R269	L157-L184 HydrophobicContact CD2-CD1 4.02Å; E158-L184 HydrophobicContact CG-CB 4.5Å; E158-L184 HydrophobicContact CG-CD1 4Å; V181-L184 WeakPolarHBondContact O-CB 3.44Å; V181-L184 WeakPolarHBondContact O-CG 3.37Å; V181-L184 PolarHBondContact O-N 2.78Å; I182-L184 VanDerWaalsContact C-N 3.32Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.45Å; L184-L187 HydrophobicContact CB-CD2 3.89Å; L184-L187 HydrophobicContact CB-CG 3.88Å; L184-L187 HydrophobicContact CD1-CD2 4.1Å; L184-L187 WeakPolarHBondContact O-CG 3.37Å; L184-R269 PolarHBondContact O-NH1 3.46Å
185	E	94.6	Very high	93.7	Very high	44 Å²	44	43.3 Å²	43.3	21%	0.206	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.9	-173.1	-53.1	-162.2	126.7	0	0	112.7	S183 W222 K267 G270 A576 K579	S183-E185 PolarHBondContact O-N 3.24Å; E185-W222 HydrophobicContact CB-CH2 4Å; E185-W222 HydrophobicContact CB-CZ2 4.07Å; E185-W222 HydrophobicContact CG-CH2 4.34Å; E185-W222 HydrophobicContact CG-CZ2 3.98Å; E185-K267 VanDerWaalsContact OE1-CE 3.31Å; E185-K267 WeakPolarHBondContact OE1-CE 3.21Å; E185-K267 IonicContact OE1-NZ 2.7Å; E185-K267 PolarHBondContact OE1-NZ 3.45Å; E185-G270 PolarHBondContact O-N 2.91Å; E185-A576 HydrophobicContact CB-CB 4.11Å; E185-K579 WeakPolarHBondContact OE2-CE 2.99Å; E185-K579 IonicContact OE2-NZ 3.55Å; E185-K579 PolarHBondContact OE2-NZ 3.38Å
186	K	96.3	Very high	93.5	Very high	23 Å²	23	41.9 Å²	41.9	10%	0.1	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	5	-175.8	-61.9	174.1	-174.3	165.6	0	113.9	E158 L184 N188 G270 Y271 D350 A576	E158-K186 HydrophobicContact CB-CB 4.41Å; E158-K186 HydrophobicContact CG-CB 4.26Å; E158-K186 WeakPolarHBondContact OE2-CB 3.45Å; L184-K186 VanDerWaalsContact C-N 3.28Å; L184-K186 PolarHBondContact O-N 3.45Å; K186-N188 PolarHBondContact O-N 3.4Å; K186-G270 WeakPolarHBondContact O-CA 3.41Å; K186-Y271 HydrophobicContact CB-CD1 4.25Å; K186-D350 IonicContact NZ-OD1 3.41Å; K186-D350 IonicContact NZ-OD2 3.92Å; K186-A576 HydrophobicContact CG-CB 3.85Å
187	L	96.5	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.			trans	-54.4	116.9	176.2	-64.6	-175.6	0	0	0	111.4	E158 F161 L184 V189 V195 R269 G270	E158-L187 HydrophobicContact CG-CD2 4.31Å; F161-L187 HydrophobicContact CB-CD2 4.16Å; F161-L187 HydrophobicContact CD1-CD1 4.49Å; F161-L187 HydrophobicContact CD2-CD1 3.96Å; F161-L187 HydrophobicContact CD2-CD2 3.67Å; F161-L187 HydrophobicContact CD2-CG 4.38Å; F161-L187 HydrophobicContact CE1-CD1 4.49Å; F161-L187 HydrophobicContact CE2-CD1 3.99Å; F161-L187 HydrophobicContact CE2-CD2 4.38Å; F161-L187 HydrophobicContact CG-CD1 4.21Å; F161-L187 HydrophobicContact CG-CD2 4.03Å; F161-L187 HydrophobicContact CZ-CD1 4.25Å; L184-L187 HydrophobicContact CB-CD2 3.89Å; L184-L187 HydrophobicContact CB-CG 3.88Å; L184-L187 HydrophobicContact CD1-CD2 4.1Å; L184-L187 WeakPolarHBondContact O-CG 3.37Å; L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 HydrophobicContact CB-CG1 4.46Å; L187-V189 PolarHBondContact O-N 2.97Å; L187-V195 HydrophobicContact CD1-CG2 4.48Å; L187-R269 WeakPolarHBondContact O-CB 3.1Å; L187-G270 WeakPolarHBondContact O-CA 3.45Å; L187-G270 PolarHBondContact O-N 2.77Å; L187-G270 VanDerWaalsContact O-N 3.17Å
188	N	93.9	Very high	93.4	Very high	75 Å²	75	35.5 Å²	35.5	40%	0.401	19%	0.194	S	C	.	.			trans	-87.7	67.8	-173.9	-170.3	25.5	0	0	0	112	E158 K186 Y271	E158-N188 WeakPolarHBondContact O-CB 3.46Å; E158-N188 PolarHBondContact O-N 2.89Å; K186-N188 PolarHBondContact O-N 3.4Å; N188-Y271 HydrophobicContact CB-CE1 4.29Å
189	V	91.1	Very high	93.3	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.042	19%	0.194	C	C	.	.			trans	-97.5	-15.6	-177.6	-67.4	0	0	0	0	114.1	F161 R162 L187 N191 Y194 V195 R269	F161-V189 HydrophobicContact CB-CG1 4.19Å; F161-V189 HydrophobicContact CD1-CG1 3.34Å; F161-V189 HydrophobicContact CE1-CG1 4.09Å; F161-V189 HydrophobicContact CG-CG1 4.09Å; R162-V189 HydrophobicContact CG-CG1 4.46Å; L187-V189 VanDerWaalsContact C-N 3.33Å; L187-V189 HydrophobicContact CB-CG1 4.46Å; L187-V189 PolarHBondContact O-N 2.97Å; V189-N191 WeakPolarHBondContact CG2-O 3.21Å; V189-N191 PolarHBondContact O-N 3.31Å; V189-Y194 HydrophobicContact CB-CD2 4.5Å; V189-Y194 VanDerWaalsContact O-CD2 3.26Å; V189-Y194 WeakPolarHBondContact O-CD2 3.39Å; V189-V195 HydrophobicContact CB-CG2 4.37Å; V189-V195 HydrophobicContact CG1-CG2 3.92Å; V189-V195 HydrophobicContact CG2-CG2 3.93Å; V189-R269 HydrophobicContact CG2-CB 4.33Å
190	G	86.2	Confident	93.2	Very high	82 Å²	82	34.1 Å²	34.1	85%	0.845	19%	0.188	S	C	*	.	S	Bend	trans	67.8	-36.4	-173	0	0	0	0	0	114.9
191	N	87.8	Confident	93.1	Very high	70 Å²	70	34.1 Å²	34.1	37%	0.374	19%	0.185	S	C	.	.	S	Bend	trans	-141.4	137	177.2	-170.7	-45.6	0	0	0	110.7	V189 R193 Y194	V189-N191 WeakPolarHBondContact CG2-O 3.21Å; V189-N191 PolarHBondContact O-N 3.31Å; N191-R193 HydrophobicContact CB-CG 4.06Å; N191-R193 PolarHBondContact O-N 3.3Å; N191-R193 VanDerWaalsContact O-N 3.13Å; N191-R193 WeakPolarHBondContact OD1-CB 3.36Å; N191-R193 WeakPolarHBondContact OD1-CG 3.34Å; N191-R193 PolarHBondContact OD1-N 3.01Å; N191-Y194 HydrophobicContact CB-CD2 4.38Å; N191-Y194 HydrophobicContact CB-CE2 4.39Å; N191-Y194 WeakPolarHBondContact O-CD2 3.45Å; N191-Y194 PolarHBondContact O-N 2.6Å
192	E	90.3	Very high	93.1	Very high	11 Å²	11	34 Å²	34	5%	0.051	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.1	-179.7	-162.9	67	-175.9	0	0	113.3	Y194 V195 F196 L221 W222 L226 R269	E192-Y194 PolarHBondContact O-N 2.91Å; E192-Y194 VanDerWaalsContact O-N 3.1Å; E192-V195 PolarHBondContact O-N 3.4Å; E192-F196 PolarHBondContact O-N 3.35Å; E192-L221 HydrophobicContact CG-CD1 4.08Å; E192-L221 HydrophobicContact CG-CG 4.39Å; E192-L221 VanDerWaalsContact OE1-CD1 3.25Å; E192-L221 WeakPolarHBondContact OE1-CD1 3.49Å; E192-W222 HydrophobicContact CG-CB 4.39Å; E192-W222 WeakPolarHBondContact OE1-CB 3.31Å; E192-W222 PolarHBondContact OE1-N 3.39Å; E192-L226 HydrophobicContact CB-CD2 3.89Å; E192-L226 HydrophobicContact CB-CG 4.3Å; E192-L226 HydrophobicContact CG-CD2 4.01Å; E192-L226 HydrophobicContact CG-CG 4.15Å; E192-R269 VanDerWaalsContact CD-NE 3.33Å; E192-R269 IonicContact OE1-CZ 2.77Å; E192-R269 IonicContact OE1-NE 3.7Å; E192-R269 PolarHBondContact OE1-NE 2.92Å; E192-R269 IonicContact OE1-NH2 3Å; E192-R269 PolarHBondContact OE1-NH2 3.25Å; E192-R269 WeakPolarHBondContact OE2-CD 3.38Å; E192-R269 IonicContact OE2-CZ 2.62Å; E192-R269 IonicContact OE2-NE 3.98Å; E192-R269 PolarHBondContact OE2-NE 2.67Å; E192-R269 IonicContact OE2-NH2 3.72Å
193	R	90	Very high	93	Very high	92 Å²	92	34 Å²	34	35%	0.347	18%	0.184	S	C	.	.	H	α-helix	trans	-50.5	-37.2	176.7	76.4	-176.9	-173.8	173	2.5	113	N191 F196 E197 Y230	N191-R193 HydrophobicContact CB-CG 4.06Å; N191-R193 PolarHBondContact O-N 3.3Å; N191-R193 VanDerWaalsContact O-N 3.13Å; N191-R193 WeakPolarHBondContact OD1-CB 3.36Å; N191-R193 WeakPolarHBondContact OD1-CG 3.34Å; N191-R193 PolarHBondContact OD1-N 3.01Å; R193-F196 WeakPolarHBondContact O-CB 3.17Å; R193-F196 PolarHBondContact O-N 2.82Å; R193-E197 WeakPolarHBondContact O-CB 3.39Å; R193-E197 VanDerWaalsContact O-CG 3.28Å; R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.45Å; R193-Y230 HydrophobicContact CB-CE1 4Å; R193-Y230 HydrophobicContact CB-CE2 4.46Å
194	Y	92.1	Very high	93	Very high	45 Å²	45	34 Å²	34	18%	0.176	19%	0.187	C	C	.	.	H	α-helix	trans	-74.7	-31	-176.8	-61.2	-64.2	0	0	0	112.1	R162 V189 N191 E192 A198	R162-Y194 PolarHBondContact NH2-OH 3.41Å; V189-Y194 HydrophobicContact CB-CD2 4.5Å; V189-Y194 VanDerWaalsContact O-CD2 3.26Å; V189-Y194 WeakPolarHBondContact O-CD2 3.39Å; N191-Y194 HydrophobicContact CB-CD2 4.38Å; N191-Y194 HydrophobicContact CB-CE2 4.39Å; N191-Y194 WeakPolarHBondContact O-CD2 3.45Å; N191-Y194 PolarHBondContact O-N 2.6Å; E192-Y194 PolarHBondContact O-N 2.91Å; E192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-A198 WeakPolarHBondContact O-CB 3.33Å; Y194-A198 PolarHBondContact O-N 3.38Å
195	V	94	Very high	92.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70	-41.2	172.1	-171.9	0	0	0	0	109.3	F161 I182 L187 V189 E192 A198 V199 L221	F161-V195 HydrophobicContact CE1-CB 4.43Å; F161-V195 HydrophobicContact CE1-CG2 3.98Å; F161-V195 HydrophobicContact CZ-CG1 4.47Å; I182-V195 HydrophobicContact CB-CG1 3.9Å; I182-V195 HydrophobicContact CG2-CG1 3.89Å; L187-V195 HydrophobicContact CD1-CG2 4.48Å; V189-V195 HydrophobicContact CB-CG2 4.37Å; V189-V195 HydrophobicContact CG1-CG2 3.92Å; V189-V195 HydrophobicContact CG2-CG2 3.93Å; E192-V195 PolarHBondContact O-N 3.4Å; V195-A198 WeakPolarHBondContact O-CB 3.38Å; V195-A198 PolarHBondContact O-N 2.88Å; V195-V199 WeakPolarHBondContact O-CG2 2.9Å; V195-V199 PolarHBondContact O-N 3.38Å; V195-L221 HydrophobicContact CB-CD1 3.75Å; V195-L221 HydrophobicContact CG1-CD1 3.46Å; V195-L221 VanDerWaalsContact CG1-CD1 3.46Å
196	F	92.2	Very high	92.8	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-51.7	173.7	-177.9	-112.2	0	0	0	111.6	E192 R193 A198 V199 I200 M218 L221 L226 Y230 L231 V241	E192-F196 PolarHBondContact O-N 3.35Å; R193-F196 WeakPolarHBondContact O-CB 3.17Å; R193-F196 PolarHBondContact O-N 2.82Å; F196-A198 VanDerWaalsContact C-N 3.28Å; F196-A198 PolarHBondContact O-N 3.44Å; F196-V199 PolarHBondContact O-N 3.23Å; F196-I200 HydrophobicContact CD1-CG1 4.26Å; F196-I200 HydrophobicContact CE1-CD1 4.21Å; F196-I200 HydrophobicContact CE1-CG1 3.97Å; F196-I200 HydrophobicContact CE2-CD1 3.89Å; F196-I200 HydrophobicContact CE2-CG1 4.31Å; F196-I200 HydrophobicContact CZ-CD1 3.73Å; F196-I200 HydrophobicContact CZ-CG1 4.01Å; F196-I200 WeakPolarHBondContact O-CG1 3.41Å; F196-I200 PolarHBondContact O-N 2.84Å; F196-M218 HydrophobicContact CD2-CE 3.91Å; F196-M218 HydrophobicContact CD2-SD 4.34Å; F196-M218 HydrophobicContact CE2-CE 3.7Å; F196-M218 HydrophobicContact CE2-SD 4.25Å; F196-L221 HydrophobicContact CB-CD2 4.1Å; F196-L221 HydrophobicContact CD2-CD2 3.61Å; F196-L221 HydrophobicContact CG-CD2 4.31Å; F196-L226 HydrophobicContact CB-CD1 4.44Å; F196-L226 HydrophobicContact CB-CD2 3.96Å; F196-L226 HydrophobicContact CD2-CD1 4.33Å; F196-L226 HydrophobicContact CG-CD1 4.38Å; F196-L226 HydrophobicContact CG-CD2 4.48Å; F196-Y230 HydrophobicContact CD1-CE1 4.03Å; F196-Y230 HydrophobicContact CE1-CE1 4.5Å; F196-L231 HydrophobicContact CE1-CD2 4.13Å; F196-L231 HydrophobicContact CZ-CD2 4.13Å; F196-V241 HydrophobicContact CE1-CG1 4.31Å; F196-V241 HydrophobicContact CE1-CG2 4.26Å; F196-V241 HydrophobicContact CZ-CG1 4Å; F196-V241 HydrophobicContact CZ-CG2 4.23Å
197	E	92.6	Very high	92.5	Very high	61 Å²	61	39.3 Å²	39.3	29%	0.285	22%	0.216	S	C	.	.	H	α-helix	trans	-56.6	-39.6	176.5	-74.6	166.1	-169.5	0	0	112.6	R193 I200 R201 Y230	R193-E197 WeakPolarHBondContact O-CB 3.39Å; R193-E197 VanDerWaalsContact O-CG 3.28Å; R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.45Å; E197-I200 PolarHBondContact O-N 3.04Å; E197-R201 WeakPolarHBondContact O-CB 3.39Å; E197-R201 PolarHBondContact O-N 2.83Å; E197-Y230 VanDerWaalsContact CG-OH 3.29Å; E197-Y230 WeakPolarHBondContact CG-OH 3.5Å; E197-Y230 PolarHBondContact OE1-OH 2.92Å
198	A	95.1	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-44.2	174.6	0	0	0	0	0	112.2	F161 F170 Y194 V195 F196 R201 W202	F161-A198 HydrophobicContact CE1-CB 4.33Å; F161-A198 HydrophobicContact CZ-CB 4.3Å; F170-A198 HydrophobicContact CE1-CB 3.89Å; F170-A198 HydrophobicContact CZ-CB 3.93Å; Y194-A198 WeakPolarHBondContact O-CB 3.33Å; Y194-A198 PolarHBondContact O-N 3.38Å; V195-A198 WeakPolarHBondContact O-CB 3.38Å; V195-A198 PolarHBondContact O-N 2.88Å; F196-A198 VanDerWaalsContact C-N 3.28Å; F196-A198 PolarHBondContact O-N 3.44Å; A198-R201 PolarHBondContact O-N 2.94Å; A198-W202 PolarHBondContact O-N 2.72Å
199	V	94.3	Very high	92	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-42.1	175.8	172.9	0	0	0	0	111.1	I182 V195 F196 R201 W202 I203 V217 M218	I182-V199 HydrophobicContact CD1-CG2 3.96Å; I182-V199 HydrophobicContact CG2-CG2 4.32Å; V195-V199 WeakPolarHBondContact O-CG2 2.9Å; V195-V199 PolarHBondContact O-N 3.38Å; F196-V199 PolarHBondContact O-N 3.23Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.24Å; V199-W202 PolarHBondContact O-N 3.28Å; V199-I203 HydrophobicContact CG1-CD1 3.89Å; V199-I203 HydrophobicContact CG1-CG1 4.36Å; V199-I203 WeakPolarHBondContact O-CG1 3.48Å; V199-I203 PolarHBondContact O-N 3.38Å; V199-V217 HydrophobicContact CG1-CG1 3.76Å; V199-V217 HydrophobicContact CG2-CG1 4.16Å; V199-M218 HydrophobicContact CG1-SD 3.87Å
200	I	92.9	Very high	92.1	Very high	24 Å²	24	49.9 Å²	49.9	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-47.6	175.3	-61.8	-50.5	0	0	0	110.7	F196 E197 W202 I203 A204 L240 V241 I244	F196-I200 HydrophobicContact CD1-CG1 4.26Å; F196-I200 HydrophobicContact CE1-CD1 4.21Å; F196-I200 HydrophobicContact CE1-CG1 3.97Å; F196-I200 HydrophobicContact CE2-CD1 3.89Å; F196-I200 HydrophobicContact CE2-CG1 4.31Å; F196-I200 HydrophobicContact CZ-CD1 3.73Å; F196-I200 HydrophobicContact CZ-CG1 4.01Å; F196-I200 WeakPolarHBondContact O-CG1 3.41Å; F196-I200 PolarHBondContact O-N 2.84Å; E197-I200 PolarHBondContact O-N 3.04Å; I200-W202 VanDerWaalsContact C-N 3.31Å; I200-W202 PolarHBondContact O-N 3.06Å; I200-I203 PolarHBondContact O-N 2.76Å; I200-A204 VanDerWaalsContact O-CB 3.29Å; I200-A204 WeakPolarHBondContact O-CB 3.47Å; I200-A204 PolarHBondContact O-N 2.83Å; I200-L240 HydrophobicContact CG2-CD2 4.24Å; I200-V241 HydrophobicContact CD1-CG2 3.93Å; I200-V241 HydrophobicContact CG1-CG2 4.15Å; I200-I244 HydrophobicContact CD1-CD1 3.06Å
201	R	94.2	Very high	92.2	Very high	91 Å²	91	49.9 Å²	49.9	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-42.5	178.3	-166.3	-172.2	-60.5	110.3	10.8	111.7	S165 L171 E197 A198 V199 A204 H205	S165-R201 PolarHBondContact O-NH1 2.7Å; L171-R201 HydrophobicContact CD2-CB 4.38Å; L171-R201 HydrophobicContact CD2-CG 3.81Å; E197-R201 WeakPolarHBondContact O-CB 3.39Å; E197-R201 PolarHBondContact O-N 2.83Å; A198-R201 PolarHBondContact O-N 2.94Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.24Å; R201-A204 PolarHBondContact O-N 2.76Å; R201-H205 PolarHBondContact O-N 3.02Å; R201-H205 VanDerWaalsContact O-N 3.13Å
202	W	96.2	Very high	92.3	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-45.1	175.7	-179.6	94.7	0	0	0	111.9	F170 L173 P175 L178 A198 V199 I200 A204 H205 R210 V217	F170-W202 HydrophobicContact CE1-CB 4.34Å; L173-W202 WeakPolarHBondContact O-CZ2 3.43Å; L173-W202 PolarHBondContact O-NE1 3.04Å; P175-W202 HydrophobicContact CB-CH2 4.05Å; P175-W202 HydrophobicContact CB-CZ2 4.4Å; P175-W202 HydrophobicContact CG-CH2 3.91Å; P175-W202 HydrophobicContact CG-CZ2 4.13Å; L178-W202 HydrophobicContact CD2-CB 4.19Å; L178-W202 HydrophobicContact CD2-CD2 3.32Å; L178-W202 HydrophobicContact CD2-CE3 3.51Å; L178-W202 HydrophobicContact CD2-CG 3.61Å; L178-W202 HydrophobicContact CD2-CH2 4.38Å; L178-W202 HydrophobicContact CD2-CZ2 4.22Å; L178-W202 HydrophobicContact CD2-CZ3 4.05Å; A198-W202 PolarHBondContact O-N 2.72Å; V199-W202 PolarHBondContact O-N 3.28Å; I200-W202 VanDerWaalsContact C-N 3.31Å; I200-W202 PolarHBondContact O-N 3.06Å; W202-A204 VanDerWaalsContact C-N 3.34Å; W202-A204 PolarHBondContact O-N 3.17Å; W202-H205 PolarHBondContact O-N 3.02Å; W202-R210 HydrophobicContact CE3-CB 4.33Å; W202-R210 HydrophobicContact CE3-CG 4.37Å; W202-R210 HydrophobicContact CH2-CB 3.86Å; W202-R210 HydrophobicContact CH2-CG 3.59Å; W202-R210 HydrophobicContact CZ2-CG 3.97Å; W202-R210 HydrophobicContact CZ3-CB 3.67Å; W202-R210 HydrophobicContact CZ3-CG 3.83Å; W202-R210 VanDerWaalsContact NE1-NH1 3.15Å; W202-R210 WeakPolarHBondContact O-CD 3.41Å; W202-R210 PolarHBondContact O-NH1 3.36Å; W202-V217 HydrophobicContact CH2-CG2 4.43Å; W202-V217 HydrophobicContact CZ3-CG2 4.19Å
203	I	93.5	Very high	92.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-41.7	177.1	-62.5	169.1	0	0	0	110.6	V199 I200 H205 D206 T207 M214 L240 I244	V199-I203 HydrophobicContact CG1-CD1 3.89Å; V199-I203 HydrophobicContact CG1-CG1 4.36Å; V199-I203 WeakPolarHBondContact O-CG1 3.48Å; V199-I203 PolarHBondContact O-N 3.38Å; I200-I203 PolarHBondContact O-N 2.76Å; I203-H205 VanDerWaalsContact C-N 3.25Å; I203-H205 PolarHBondContact O-N 3.17Å; I203-D206 CarbonylContact O-C 3.55Å; I203-D206 PolarHBondContact O-N 3.2Å; I203-T207 VanDerWaalsContact O-CA 3.29Å; I203-T207 WeakPolarHBondContact O-CA 3.49Å; I203-T207 PolarHBondContact O-N 2.95Å; I203-T207 PolarHBondContact O-OG1 3.1Å; I203-M214 HydrophobicContact CD1-CB 4.35Å; I203-M214 HydrophobicContact CD1-CG 3.97Å; I203-L240 HydrophobicContact CB-CD2 4.16Å; I203-L240 HydrophobicContact CG2-CD1 3.94Å; I203-L240 HydrophobicContact CG2-CD2 3.91Å; I203-L240 HydrophobicContact CG2-CG 4.42Å; I203-I244 HydrophobicContact CD1-CD1 3.9Å; I203-I244 HydrophobicContact CD1-CG1 4.41Å
204	A	93.1	Very high	92.3	Very high	54 Å²	54	50.9 Å²	50.9	45%	0.446	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-29	-178.4	0	0	0	0	0	113.3	I200 R201 W202 D206 T207 L240	I200-A204 VanDerWaalsContact O-CB 3.29Å; I200-A204 WeakPolarHBondContact O-CB 3.47Å; I200-A204 PolarHBondContact O-N 2.83Å; R201-A204 PolarHBondContact O-N 2.76Å; W202-A204 VanDerWaalsContact C-N 3.34Å; W202-A204 PolarHBondContact O-N 3.17Å; A204-D206 VanDerWaalsContact C-N 3.32Å; A204-D206 PolarHBondContact O-N 3.22Å; A204-T207 PolarHBondContact O-OG1 2.9Å; A204-L240 HydrophobicContact CB-CD2 4.11Å
205	H	93.8	Very high	92.1	Very high	109 Å²	109	55.2 Å²	55.2	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-36.7	179.2	-175.6	80.1	0	0	0	113.2	L171 R201 W202 I203	L171-H205 HydrophobicContact CD2-CB 4.47Å; R201-H205 PolarHBondContact O-N 3.02Å; R201-H205 VanDerWaalsContact O-N 3.13Å; W202-H205 PolarHBondContact O-N 3.02Å; I203-H205 VanDerWaalsContact C-N 3.25Å; I203-H205 PolarHBondContact O-N 3.17Å
206	D	92.6	Very high	92	Very high	55 Å²	55	58.2 Å²	58.2	29%	0.294	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	75	175.9	-176	-5.2	0	0	0	109.8	I203 A204 E208 I209 R210	I203-D206 CarbonylContact O-C 3.55Å; I203-D206 PolarHBondContact O-N 3.2Å; A204-D206 VanDerWaalsContact C-N 3.32Å; A204-D206 PolarHBondContact O-N 3.22Å; D206-E208 VanDerWaalsContact C-N 3.3Å; D206-E208 PolarHBondContact O-N 3.44Å; D206-I209 PolarHBondContact O-N 2.93Å; D206-I209 PolarHBondContact OD1-N 3.06Å; D206-I209 WeakPolarHBondContact OD2-CD1 3.35Å; D206-R210 HydrophobicContact CB-CG 4.25Å; D206-R210 WeakPolarHBondContact O-CB 3.37Å; D206-R210 WeakPolarHBondContact O-CG 3.35Å; D206-R210 PolarHBondContact O-N 3.03Å
207	T	90.3	Very high	92	Very high	47 Å²	47	58.1 Å²	58.1	29%	0.288	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-36.5	-171.6	-58.3	0	0	0	0	112	I203 A204 I209 K211 L240	I203-T207 VanDerWaalsContact O-CA 3.29Å; I203-T207 WeakPolarHBondContact O-CA 3.49Å; I203-T207 PolarHBondContact O-N 2.95Å; I203-T207 PolarHBondContact O-OG1 3.1Å; A204-T207 PolarHBondContact O-OG1 2.9Å; T207-I209 PolarHBondContact O-N 2.56Å; T207-K211 WeakPolarHBondContact O-CB 3.07Å; T207-K211 PolarHBondContact O-N 3.36Å; T207-K211 VanDerWaalsContact O-N 3.14Å; T207-L240 HydrophobicContact CG2-CD1 4.47Å
208	E	89.8	Confident	91.9	Very high	169 Å²	169	55.5 Å²	55.5	79%	0.79	28%	0.278	S	S	*	.	H	α-helix	trans	-63.8	-44.9	-176.5	-64.6	-58.6	138.1	0	0	111.8	D206	D206-E208 VanDerWaalsContact C-N 3.3Å; D206-E208 PolarHBondContact O-N 3.44Å
209	I	90.9	Very high	91.6	Very high	112 Å²	112	59 Å²	59	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-83.6	-38.2	-178.9	-66.4	169.7	0	0	0	111.2	D206 T207 V212	D206-I209 PolarHBondContact O-N 2.93Å; D206-I209 PolarHBondContact OD1-N 3.06Å; D206-I209 WeakPolarHBondContact OD2-CD1 3.35Å; T207-I209 PolarHBondContact O-N 2.56Å; I209-V212 WeakPolarHBondContact O-CG2 3.48Å
210	R	93	Very high	91.4	Very high	24 Å²	24	59.7 Å²	59.7	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-82.4	-20.8	-169.7	-64.9	174.7	-178.1	-163.2	-5	113.9	L171 W202 D206 V212 H213 M214	L171-R210 PolarHBondContact O-NH1 2.97Å; L171-R210 PolarHBondContact O-NH2 3.41Å; W202-R210 HydrophobicContact CE3-CB 4.33Å; W202-R210 HydrophobicContact CE3-CG 4.37Å; W202-R210 HydrophobicContact CH2-CB 3.86Å; W202-R210 HydrophobicContact CH2-CG 3.59Å; W202-R210 HydrophobicContact CZ2-CG 3.97Å; W202-R210 HydrophobicContact CZ3-CB 3.67Å; W202-R210 HydrophobicContact CZ3-CG 3.83Å; W202-R210 VanDerWaalsContact NE1-NH1 3.15Å; W202-R210 WeakPolarHBondContact O-CD 3.41Å; W202-R210 PolarHBondContact O-NH1 3.36Å; D206-R210 HydrophobicContact CB-CG 4.25Å; D206-R210 WeakPolarHBondContact O-CB 3.37Å; D206-R210 WeakPolarHBondContact O-CG 3.35Å; D206-R210 PolarHBondContact O-N 3.03Å; R210-V212 PolarHBondContact O-N 3.34Å; R210-H213 PolarHBondContact O-N 3.42Å; R210-M214 PolarHBondContact O-N 3.47Å
211	K	87.8	Confident	91.3	Very high	82 Å²	82	58.9 Å²	58.9	36%	0.357	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-57.6	-33.7	-178.8	-178.5	171	-179.7	162	0	113.6	T207 H213 M214 E243	T207-K211 WeakPolarHBondContact O-CB 3.07Å; T207-K211 PolarHBondContact O-N 3.36Å; T207-K211 VanDerWaalsContact O-N 3.14Å; K211-H213 PolarHBondContact O-N 3.35Å; K211-M214 WeakPolarHBondContact O-CB 3.38Å; K211-M214 PolarHBondContact O-N 2.7Å; K211-E243 WeakPolarHBondContact CE-OE1 3.1Å; K211-E243 VanDerWaalsContact CE-OE2 3.31Å; K211-E243 WeakPolarHBondContact CE-OE2 3.48Å; K211-E243 IonicContact NZ-OE1 2.79Å; K211-E243 PolarHBondContact NZ-OE1 3.42Å; K211-E243 IonicContact NZ-OE2 3.44Å; K211-E243 PolarHBondContact NZ-OE2 3.48Å
212	V	90.4	Very high	90.9	Very high	116 Å²	116	55.9 Å²	55.9	70%	0.703	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-67.7	-25.6	176.6	-54.9	0	0	0	0	112.9	I209 R210	I209-V212 WeakPolarHBondContact O-CG2 3.48Å; R210-V212 PolarHBondContact O-N 3.34Å
213	H	91.5	Very high	90.2	Very high	70 Å²	70	56.8 Å²	56.8	32%	0.324	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-92.5	-8.7	-179.7	-61.5	-68.6	0	0	0	113.4	P175 R210 K211 K215 D216 V217	P175-H213 HydrophobicContact CB-CB 3.93Å; P175-H213 HydrophobicContact CG-CB 4.1Å; R210-H213 PolarHBondContact O-N 3.42Å; K211-H213 PolarHBondContact O-N 3.35Å; H213-K215 PolarHBondContact O-N 3.42Å; H213-D216 PolarHBondContact O-N 2.83Å; H213-V217 HydrophobicContact CB-CG2 4.5Å; H213-V217 PolarHBondContact O-N 2.93Å
214	M	88.7	Confident	89.4	Confident	7 Å²	7	60.4 Å²	60.4	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-48.9	-50.4	-176.3	178.8	176.4	72.5	0	0	113.3	I203 R210 K211 D216 V217 M218 E243 I244 E247	I203-M214 HydrophobicContact CD1-CB 4.35Å; I203-M214 HydrophobicContact CD1-CG 3.97Å; R210-M214 PolarHBondContact O-N 3.47Å; K211-M214 WeakPolarHBondContact O-CB 3.38Å; K211-M214 PolarHBondContact O-N 2.7Å; M214-D216 VanDerWaalsContact C-N 3.3Å; M214-D216 PolarHBondContact O-N 3.49Å; M214-V217 PolarHBondContact O-N 2.57Å; M214-M218 HydrophobicContact CG-CG 4.45Å; M214-M218 WeakPolarHBondContact O-CB 3.35Å; M214-M218 WeakPolarHBondContact O-CG 3.36Å; M214-M218 PolarHBondContact O-N 2.75Å; M214-E243 HydrophobicContact CE-CG 4.49Å; M214-I244 HydrophobicContact CG-CG1 3.71Å; M214-I244 HydrophobicContact SD-CB 4.03Å; M214-I244 HydrophobicContact SD-CD1 4.33Å; M214-I244 HydrophobicContact SD-CG1 3.18Å; M214-I244 WeakPolarHBondContact SD-CG1 2.94Å; M214-E247 HydrophobicContact CE-CB 3.58Å; M214-E247 HydrophobicContact CE-CG 3.58Å
215	K	88.2	Confident	88.6	Confident	136 Å²	136	59.9 Å²	59.9	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-63	-37.2	-179.3	-175.9	175.7	179.5	174.1	0	112.5	H213 S219	H213-K215 PolarHBondContact O-N 3.42Å; K215-S219 PolarHBondContact O-N 2.84Å
216	D	90.8	Very high	88	Confident	63 Å²	63	55.3 Å²	55.3	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-73.3	-45.8	-179.7	-174.8	32.4	0	0	0	111.4	K179 H213 M214 M218 S219	K179-D216 IonicContact NZ-OD1 2.69Å; K179-D216 PolarHBondContact NZ-OD1 3.08Å; K179-D216 IonicContact NZ-OD2 3.09Å; H213-D216 PolarHBondContact O-N 2.83Å; M214-D216 VanDerWaalsContact C-N 3.3Å; M214-D216 PolarHBondContact O-N 3.49Å; D216-M218 PolarHBondContact O-N 3.31Å; D216-S219 WeakPolarHBondContact O-CB 3.39Å; D216-S219 PolarHBondContact O-N 3.46Å; D216-S219 VanDerWaalsContact O-N 3.15Å; D216-S219 PolarHBondContact O-OG 2.93Å
217	V	92.4	Very high	87.4	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-46.5	175	174.2	0	0	0	0	110.7	P175 L178 I182 V199 W202 H213 M214 S219 A220	P175-V217 HydrophobicContact CB-CG2 4.36Å; L178-V217 HydrophobicContact CD2-CG1 3.58Å; L178-V217 HydrophobicContact CD2-CG2 4.26Å; L178-V217 HydrophobicContact CG-CG1 4.16Å; I182-V217 HydrophobicContact CD1-CG1 3.83Å; V199-V217 HydrophobicContact CG1-CG1 3.76Å; V199-V217 HydrophobicContact CG2-CG1 4.16Å; W202-V217 HydrophobicContact CH2-CG2 4.43Å; W202-V217 HydrophobicContact CZ3-CG2 4.19Å; H213-V217 HydrophobicContact CB-CG2 4.5Å; H213-V217 PolarHBondContact O-N 2.93Å; M214-V217 PolarHBondContact O-N 2.57Å; V217-S219 PolarHBondContact O-N 3.18Å; V217-A220 PolarHBondContact O-N 2.78Å; V217-A220 VanDerWaalsContact O-N 3.11Å
218	M	89.6	Confident	86.9	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-21.6	178.6	-71.9	-62.6	-59.5	0	0	113.4	F196 V199 M214 D216 A220 L221 I244 I251	F196-M218 HydrophobicContact CD2-CE 3.91Å; F196-M218 HydrophobicContact CD2-SD 4.34Å; F196-M218 HydrophobicContact CE2-CE 3.7Å; F196-M218 HydrophobicContact CE2-SD 4.25Å; V199-M218 HydrophobicContact CG1-SD 3.87Å; M214-M218 HydrophobicContact CG-CG 4.45Å; M214-M218 WeakPolarHBondContact O-CB 3.35Å; M214-M218 WeakPolarHBondContact O-CG 3.36Å; M214-M218 PolarHBondContact O-N 2.75Å; D216-M218 PolarHBondContact O-N 3.31Å; M218-A220 PolarHBondContact O-N 3.3Å; M218-L221 HydrophobicContact CE-CD2 3.5Å; M218-L221 WeakPolarHBondContact O-CB 3.32Å; M218-L221 PolarHBondContact O-N 3.15Å; M218-L221 HydrophobicContact SD-CD2 4.11Å; M218-I244 HydrophobicContact CE-CG2 3.8Å; M218-I244 HydrophobicContact CG-CG2 3.93Å; M218-I244 HydrophobicContact SD-CG2 3.99Å; M218-I251 HydrophobicContact CE-CD1 4.23Å
219	S	89.3	Confident	86.6	Confident	73 Å²	73	51 Å²	51	51%	0.51	29%	0.29	S	S	.	.	H	α-helix	trans	-67.7	-22.6	175.8	79.4	0	0	0	0	113.6	K215 D216 V217	K215-S219 PolarHBondContact O-N 2.84Å; D216-S219 WeakPolarHBondContact O-CB 3.39Å; D216-S219 PolarHBondContact O-N 3.46Å; D216-S219 VanDerWaalsContact O-N 3.15Å; D216-S219 PolarHBondContact O-OG 2.93Å; V217-S219 PolarHBondContact O-N 3.18Å
220	A	91.2	Very high	86.3	Confident	15 Å²	15	47.1 Å²	47.1	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-88.8	-14	177.1	0	0	0	0	0	113.6	K179 I182 V217 M218	K179-A220 HydrophobicContact CG-CB 3.62Å; I182-A220 HydrophobicContact CD1-CB 4.04Å; I182-A220 HydrophobicContact CG1-CB 3.92Å; V217-A220 PolarHBondContact O-N 2.78Å; V217-A220 VanDerWaalsContact O-N 3.11Å; M218-A220 PolarHBondContact O-N 3.3Å
221	L	89.6	Confident	85.7	Confident	8 Å²	8	46 Å²	46	4%	0.042	26%	0.264	C	S	.	.	S	Bend	trans	-70.9	142.3	175.2	-171.1	72.1	0	0	0	110.7	E192 V195 F196 M218 V223 L226	E192-L221 HydrophobicContact CG-CD1 4.08Å; E192-L221 HydrophobicContact CG-CG 4.39Å; E192-L221 VanDerWaalsContact OE1-CD1 3.25Å; E192-L221 WeakPolarHBondContact OE1-CD1 3.49Å; V195-L221 HydrophobicContact CB-CD1 3.75Å; V195-L221 HydrophobicContact CG1-CD1 3.46Å; V195-L221 VanDerWaalsContact CG1-CD1 3.46Å; F196-L221 HydrophobicContact CB-CD2 4.1Å; F196-L221 HydrophobicContact CD2-CD2 3.61Å; F196-L221 HydrophobicContact CG-CD2 4.31Å; M218-L221 HydrophobicContact CE-CD2 3.5Å; M218-L221 WeakPolarHBondContact O-CB 3.32Å; M218-L221 PolarHBondContact O-N 3.15Å; M218-L221 HydrophobicContact SD-CD2 4.11Å; L221-V223 HydrophobicContact CB-CG2 4.34Å; L221-V223 HydrophobicContact CD2-CG2 4.44Å; L221-V223 PolarHBondContact O-N 3.46Å; L221-L226 HydrophobicContact CD2-CD1 3.87Å
222	W	87.2	Confident	85.5	Confident	27 Å²	27	48.3 Å²	48.3	10%	0.102	27%	0.271	C	S	.	.			trans	-86	70.8	178.8	-61	3.5	0	0	0	110.1	E185 E192 S224 G225 K267 R269 C578	E185-W222 HydrophobicContact CB-CH2 4Å; E185-W222 HydrophobicContact CB-CZ2 4.07Å; E185-W222 HydrophobicContact CG-CH2 4.34Å; E185-W222 HydrophobicContact CG-CZ2 3.98Å; E192-W222 HydrophobicContact CG-CB 4.39Å; E192-W222 WeakPolarHBondContact OE1-CB 3.31Å; E192-W222 PolarHBondContact OE1-N 3.39Å; W222-S224 PolarHBondContact O-N 2.91Å; W222-G225 PolarHBondContact O-N 3.5Å; W222-K267 HydrophobicContact CD2-CD 3.76Å; W222-K267 HydrophobicContact CD2-CG 4.36Å; W222-K267 HydrophobicContact CE3-CB 4.03Å; W222-K267 HydrophobicContact CE3-CD 3.69Å; W222-K267 HydrophobicContact CE3-CG 3.77Å; W222-K267 HydrophobicContact CH2-CD 3.8Å; W222-K267 HydrophobicContact CH2-CG 4.02Å; W222-K267 HydrophobicContact CZ2-CD 3.87Å; W222-K267 HydrophobicContact CZ3-CB 4.19Å; W222-K267 HydrophobicContact CZ3-CD 3.68Å; W222-K267 HydrophobicContact CZ3-CG 3.54Å; W222-K267 WeakPolarHBondContact CZ3-O 3.16Å; W222-R269 HydrophobicContact CD2-CG 4.12Å; W222-R269 HydrophobicContact CE3-CG 3.42Å; W222-R269 VanDerWaalsContact CE3-CG 3.42Å; W222-R269 HydrophobicContact CH2-CG 3.66Å; W222-R269 HydrophobicContact CZ2-CG 4.31Å; W222-R269 HydrophobicContact CZ3-CB 4.05Å; W222-R269 HydrophobicContact CZ3-CG 3.18Å; W222-C578 HydrophobicContact CH2-CB 4.5Å
223	V	80.9	Confident	85.3	Confident	20 Å²	20	48.2 Å²	48.2	12%	0.121	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-53.5	-29.8	-172.8	-176.4	0	0	0	0	113.6	L221 G225 L226 I251	L221-V223 HydrophobicContact CB-CG2 4.34Å; L221-V223 HydrophobicContact CD2-CG2 4.44Å; L221-V223 PolarHBondContact O-N 3.46Å; V223-G225 PolarHBondContact O-N 2.81Å; V223-L226 PolarHBondContact O-N 3.37Å; V223-I251 HydrophobicContact CG1-CB 4.03Å; V223-I251 HydrophobicContact CG1-CG1 3.73Å; V223-I251 HydrophobicContact CG1-CG2 4.12Å
224	S	75.4	Confident	84.9	Confident	77 Å²	77	47.1 Å²	47.1	54%	0.538	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63.9	-19.5	174.9	57.9	0	0	0	0	114.2	W222	W222-S224 PolarHBondContact O-N 2.91Å
225	G	77.4	Confident	84.6	Confident	42 Å²	42	48.6 Å²	48.6	43%	0.433	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-86.2	-5.6	176.5	0	0	0	0	0	114.6	W222 V223	W222-G225 PolarHBondContact O-N 3.5Å; V223-G225 PolarHBondContact O-N 2.81Å
226	L	81.7	Confident	84.4	Confident	13 Å²	13	48.1 Å²	48.1	7%	0.068	27%	0.268	C	S	.	.	S	Bend	trans	-86.9	134.8	178.8	-64.6	168	0	0	0	110.8	E192 F196 L221 V223 S228 L231	E192-L226 HydrophobicContact CB-CD2 3.89Å; E192-L226 HydrophobicContact CB-CG 4.3Å; E192-L226 HydrophobicContact CG-CD2 4.01Å; E192-L226 HydrophobicContact CG-CG 4.15Å; F196-L226 HydrophobicContact CB-CD1 4.44Å; F196-L226 HydrophobicContact CB-CD2 3.96Å; F196-L226 HydrophobicContact CD2-CD1 4.33Å; F196-L226 HydrophobicContact CG-CD1 4.38Å; F196-L226 HydrophobicContact CG-CD2 4.48Å; L221-L226 HydrophobicContact CD2-CD1 3.87Å; V223-L226 PolarHBondContact O-N 3.37Å; L226-S228 PolarHBondContact O-N 3.41Å; L226-L231 HydrophobicContact CB-CD1 3.75Å; L226-L231 HydrophobicContact CB-CG 4.15Å; L226-L231 HydrophobicContact CD1-CD1 4.31Å; L226-L231 HydrophobicContact CD1-CD2 4.16Å
227	D	80.4	Confident	84.2	Confident	90 Å²	90	49.9 Å²	49.9	48%	0.481	28%	0.278	S	S	.	.			trans	-72.1	126.8	172.9	-175.5	0.4	0	0	0	110.5	S229 Y230 L231	D227-S229 PolarHBondContact O-N 3.49Å; D227-S229 PolarHBondContact OD1-N 3.21Å; D227-S229 PolarHBondContact OD1-OG 3.46Å; D227-S229 PolarHBondContact OD2-OG 3.33Å; D227-Y230 PolarHBondContact O-N 2.67Å; D227-L231 PolarHBondContact O-N 3.45Å
228	S	79.7	Confident	83.9	Confident	24 Å²	24	54.2 Å²	54.2	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-53.5	-32.8	172.2	64.7	0	0	0	0	113.6	L226 R232	L226-S228 PolarHBondContact O-N 3.41Å; S228-R232 VanDerWaalsContact O-CG 3.29Å; S228-R232 WeakPolarHBondContact O-CG 3.47Å; S228-R232 PolarHBondContact O-N 2.9Å; S228-R232 VanDerWaalsContact O-N 3.15Å
229	S	82.4	Confident	83.8	Confident	67 Å²	67	58.1 Å²	58.1	47%	0.469	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-48.8	179.4	79.7	0	0	0	0	111.3	D227 L231 R232 E233	D227-S229 PolarHBondContact O-N 3.49Å; D227-S229 PolarHBondContact OD1-N 3.21Å; D227-S229 PolarHBondContact OD1-OG 3.46Å; D227-S229 PolarHBondContact OD2-OG 3.33Å; S229-L231 PolarHBondContact O-N 3.21Å; S229-R232 PolarHBondContact O-N 3.27Å; S229-E233 PolarHBondContact O-N 2.82Å; S229-E233 VanDerWaalsContact O-N 3.09Å
230	Y	84	Confident	83.7	Confident	30 Å²	30	55.8 Å²	55.8	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-46.7	174.8	167.4	-97.6	0	0	0	111.8	R193 F196 E197 D227 R232 E233 Q234	R193-Y230 HydrophobicContact CB-CE1 4Å; R193-Y230 HydrophobicContact CB-CE2 4.46Å; F196-Y230 HydrophobicContact CD1-CE1 4.03Å; F196-Y230 HydrophobicContact CE1-CE1 4.5Å; E197-Y230 VanDerWaalsContact CG-OH 3.29Å; E197-Y230 WeakPolarHBondContact CG-OH 3.5Å; E197-Y230 PolarHBondContact OE1-OH 2.92Å; D227-Y230 PolarHBondContact O-N 2.67Å; Y230-R232 VanDerWaalsContact C-N 3.32Å; Y230-R232 PolarHBondContact O-N 3.4Å; Y230-E233 PolarHBondContact O-N 3.26Å; Y230-Q234 HydrophobicContact CD1-CG 4.39Å; Y230-Q234 HydrophobicContact CD2-CG 4.15Å; Y230-Q234 HydrophobicContact CE1-CG 3.96Å; Y230-Q234 HydrophobicContact CE2-CG 3.73Å; Y230-Q234 HydrophobicContact CG-CG 4.48Å; Y230-Q234 WeakPolarHBondContact O-CG 3.44Å; Y230-Q234 PolarHBondContact O-N 3.03Å
231	L	82.1	Confident	83.4	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-42.2	178.4	-78	170.6	0	0	0	112	F196 L226 D227 S229 Q234 M235 I251	F196-L231 HydrophobicContact CE1-CD2 4.13Å; F196-L231 HydrophobicContact CZ-CD2 4.13Å; L226-L231 HydrophobicContact CB-CD1 3.75Å; L226-L231 HydrophobicContact CB-CG 4.15Å; L226-L231 HydrophobicContact CD1-CD1 4.31Å; L226-L231 HydrophobicContact CD1-CD2 4.16Å; D227-L231 PolarHBondContact O-N 3.45Å; S229-L231 PolarHBondContact O-N 3.21Å; L231-Q234 PolarHBondContact O-N 3.05Å; L231-M235 WeakPolarHBondContact O-CB 3.48Å; L231-M235 WeakPolarHBondContact O-CG 3.45Å; L231-M235 PolarHBondContact O-N 2.63Å; L231-I251 HydrophobicContact CD1-CG2 3.58Å
232	R	82	Confident	83.2	Confident	131 Å²	131	59.3 Å²	59.3	49%	0.494	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-41.2	176.8	-73.6	174.2	-172.1	174.7	4.3	112.3	S228 S229 Y230 M235 L236 L253	S228-R232 VanDerWaalsContact O-CG 3.29Å; S228-R232 WeakPolarHBondContact O-CG 3.47Å; S228-R232 PolarHBondContact O-N 2.9Å; S228-R232 VanDerWaalsContact O-N 3.15Å; S229-R232 PolarHBondContact O-N 3.27Å; Y230-R232 VanDerWaalsContact C-N 3.32Å; Y230-R232 PolarHBondContact O-N 3.4Å; R232-M235 PolarHBondContact O-N 3.35Å; R232-L236 WeakPolarHBondContact O-CG 3.41Å; R232-L236 PolarHBondContact O-N 3.42Å; R232-L253 PolarHBondContact NH2-O 3.16Å
233	E	85.9	Confident	83	Confident	114 Å²	114	61.2 Å²	61.2	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-46.4	176.5	-172.7	179.1	177.9	0	0	111.4	S229 Y230 M235 L236 N237	S229-E233 PolarHBondContact O-N 2.82Å; S229-E233 VanDerWaalsContact O-N 3.09Å; Y230-E233 PolarHBondContact O-N 3.26Å; E233-M235 VanDerWaalsContact C-N 3.33Å; E233-M235 PolarHBondContact O-N 3.4Å; E233-L236 WeakPolarHBondContact O-CB 3.28Å; E233-L236 PolarHBondContact O-N 3.45Å; E233-N237 PolarHBondContact O-N 3.06Å
234	Q	84.2	Confident	83.2	Confident	47 Å²	47	60.2 Å²	60.2	22%	0.22	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-37.8	176.5	-69.7	-61.2	-34.8	0	0	112.3	Y230 L231 L236 N237 E238 V241	Y230-Q234 HydrophobicContact CD1-CG 4.39Å; Y230-Q234 HydrophobicContact CD2-CG 4.15Å; Y230-Q234 HydrophobicContact CE1-CG 3.96Å; Y230-Q234 HydrophobicContact CE2-CG 3.73Å; Y230-Q234 HydrophobicContact CG-CG 4.48Å; Y230-Q234 WeakPolarHBondContact O-CG 3.44Å; Y230-Q234 PolarHBondContact O-N 3.03Å; L231-Q234 PolarHBondContact O-N 3.05Å; Q234-L236 VanDerWaalsContact C-N 3.25Å; Q234-L236 PolarHBondContact O-N 2.67Å; Q234-N237 PolarHBondContact O-N 3.49Å; Q234-E238 WeakPolarHBondContact O-CB 3.12Å; Q234-E238 PolarHBondContact O-N 3.31Å; Q234-V241 HydrophobicContact CB-CG1 4Å; Q234-V241 HydrophobicContact CB-CG2 4.47Å
235	M	82.1	Confident	83.5	Confident	38 Å²	38	57 Å²	57	19%	0.187	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-29.8	172.1	-73	174.2	77.9	0	0	112.8	L231 R232 E233 V241 R242 V245 L253	L231-M235 WeakPolarHBondContact O-CB 3.48Å; L231-M235 WeakPolarHBondContact O-CG 3.45Å; L231-M235 PolarHBondContact O-N 2.63Å; R232-M235 PolarHBondContact O-N 3.35Å; E233-M235 VanDerWaalsContact C-N 3.33Å; E233-M235 PolarHBondContact O-N 3.4Å; M235-V241 HydrophobicContact CG-CG1 3.85Å; M235-R242 HydrophobicContact CB-CG 3.98Å; M235-R242 HydrophobicContact CG-CG 4.49Å; M235-R242 WeakPolarHBondContact O-CD 3.3Å; M235-R242 WeakPolarHBondContact O-CG 3.49Å; M235-R242 VanDerWaalsContact O-CZ 3.28Å; M235-R242 PolarHBondContact O-NE 3.05Å; M235-V245 HydrophobicContact CE-CB 3.91Å; M235-V245 HydrophobicContact CE-CG1 3.69Å; M235-V245 HydrophobicContact CE-CG2 4.46Å; M235-V245 HydrophobicContact CG-CB 4.36Å; M235-V245 HydrophobicContact CG-CG2 3.93Å; M235-V245 HydrophobicContact SD-CB 3.97Å; M235-V245 HydrophobicContact SD-CG1 3.68Å; M235-V245 HydrophobicContact SD-CG2 3.91Å; M235-L253 HydrophobicContact SD-CD2 3.98Å
236	L	84.2	Confident	83.7	Confident	126 Å²	126	63 Å²	63	66%	0.66	31%	0.31	S	S	*	.	H	α-helix	trans	-73.3	-39.3	176.8	-69.2	169.4	0	0	0	111.3	R232 E233 Q234 R242	R232-L236 WeakPolarHBondContact O-CG 3.41Å; R232-L236 PolarHBondContact O-N 3.42Å; E233-L236 WeakPolarHBondContact O-CB 3.28Å; E233-L236 PolarHBondContact O-N 3.45Å; Q234-L236 VanDerWaalsContact C-N 3.25Å; Q234-L236 PolarHBondContact O-N 2.67Å; L236-R242 PolarHBondContact O-NH2 3.17Å
237	N	87.1	Confident	83.5	Confident	100 Å²	100	67.6 Å²	67.6	54%	0.535	33%	0.332	S	S	.	.	H	α-helix	trans	-84.7	-40.4	-173	-64	-23.8	0	0	0	112.9	E233 Q234	E233-N237 PolarHBondContact O-N 3.06Å; Q234-N237 PolarHBondContact O-N 3.49Å
238	E	86.4	Confident	83.3	Confident	90 Å²	90	64 Å²	64	42%	0.421	31%	0.313	S	S	.	.			trans	-111.3	114.9	-170.7	-71	-62	156	0	0	112.3	Q234 L240 V241 R242	Q234-E238 WeakPolarHBondContact O-CB 3.12Å; Q234-E238 PolarHBondContact O-N 3.31Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 2.75Å; E238-V241 HydrophobicContact CB-CB 3.92Å; E238-V241 HydrophobicContact CB-CG2 3.6Å; E238-V241 HydrophobicContact CG-CG2 4.37Å; E238-V241 PolarHBondContact O-N 3.4Å; E238-R242 PolarHBondContact O-N 3.3Å
239	P	86.9	Confident	82.8	Confident	88 Å²	88	67.8 Å²	67.8	57%	0.571	34%	0.34	S	S	*	.	H	α-helix	trans	-58.4	-38.6	176	-24.2	34.3	0	0	0	113.6	V241 R242 E243	P239-V241 VanDerWaalsContact C-N 3.34Å; P239-V241 PolarHBondContact O-N 3.43Å; P239-R242 WeakPolarHBondContact O-CB 3.48Å; P239-R242 PolarHBondContact O-N 3.21Å; P239-E243 PolarHBondContact O-N 2.94Å
240	L	86.3	Confident	82.1	Confident	24 Å²	24	70.6 Å²	70.6	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-40.8	179.3	-177.8	59.8	0	0	0	111.5	I200 I203 A204 T207 E238 R242 E243 I244	I200-L240 HydrophobicContact CG2-CD2 4.24Å; I203-L240 HydrophobicContact CB-CD2 4.16Å; I203-L240 HydrophobicContact CG2-CD1 3.94Å; I203-L240 HydrophobicContact CG2-CD2 3.91Å; I203-L240 HydrophobicContact CG2-CG 4.42Å; A204-L240 HydrophobicContact CB-CD2 4.11Å; T207-L240 HydrophobicContact CG2-CD1 4.47Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 2.75Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 3.03Å; L240-E243 PolarHBondContact O-N 3.22Å; L240-I244 HydrophobicContact CD1-CD1 4.47Å; L240-I244 HydrophobicContact CG-CD1 4.02Å; L240-I244 WeakPolarHBondContact O-CG1 3.48Å; L240-I244 PolarHBondContact O-N 3.26Å
241	V	85.7	Confident	81.2	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-40.3	175.6	174.3	0	0	0	0	111.2	F196 I200 Q234 M235 E238 P239 E243 I244 V245	F196-V241 HydrophobicContact CE1-CG1 4.31Å; F196-V241 HydrophobicContact CE1-CG2 4.26Å; F196-V241 HydrophobicContact CZ-CG1 4Å; F196-V241 HydrophobicContact CZ-CG2 4.23Å; I200-V241 HydrophobicContact CD1-CG2 3.93Å; I200-V241 HydrophobicContact CG1-CG2 4.15Å; Q234-V241 HydrophobicContact CB-CG1 4Å; Q234-V241 HydrophobicContact CB-CG2 4.47Å; M235-V241 HydrophobicContact CG-CG1 3.85Å; E238-V241 HydrophobicContact CB-CB 3.92Å; E238-V241 HydrophobicContact CB-CG2 3.6Å; E238-V241 HydrophobicContact CG-CG2 4.37Å; E238-V241 PolarHBondContact O-N 3.4Å; P239-V241 VanDerWaalsContact C-N 3.34Å; P239-V241 PolarHBondContact O-N 3.43Å; V241-E243 VanDerWaalsContact C-N 3.27Å; V241-E243 PolarHBondContact O-N 3.31Å; V241-I244 PolarHBondContact O-N 2.96Å; V241-V245 HydrophobicContact CG1-CG2 4.23Å; V241-V245 VanDerWaalsContact O-CG2 3.25Å; V241-V245 WeakPolarHBondContact O-CG2 3.39Å; V241-V245 PolarHBondContact O-N 3.1Å
242	R	84.2	Confident	80.4	Confident	96 Å²	96	72.5 Å²	72.5	36%	0.362	37%	0.365	S	S	.	.	H	α-helix	trans	-59.4	-40.3	175.3	-71.6	178.2	-99.9	-144.1	-13	112.3	M235 L236 E238 P239 L240 K246	M235-R242 HydrophobicContact CB-CG 3.98Å; M235-R242 HydrophobicContact CG-CG 4.49Å; M235-R242 WeakPolarHBondContact O-CD 3.3Å; M235-R242 WeakPolarHBondContact O-CG 3.49Å; M235-R242 VanDerWaalsContact O-CZ 3.28Å; M235-R242 PolarHBondContact O-NE 3.05Å; L236-R242 PolarHBondContact O-NH2 3.17Å; E238-R242 PolarHBondContact O-N 3.3Å; P239-R242 WeakPolarHBondContact O-CB 3.48Å; P239-R242 PolarHBondContact O-N 3.21Å; L240-R242 VanDerWaalsContact C-N 3.33Å; L240-R242 PolarHBondContact O-N 3.03Å; R242-K246 VanDerWaalsContact O-CG 3.27Å; R242-K246 WeakPolarHBondContact O-CG 3.26Å; R242-K246 PolarHBondContact O-N 3.45Å; R242-K246 VanDerWaalsContact O-N 3.13Å
243	E	84.6	Confident	79.6	Confident	66 Å²	66	69.7 Å²	69.7	31%	0.308	36%	0.359	S	S	.	.	H	α-helix	trans	-69.4	-46.6	179.1	-174.7	160.3	-144.2	0	0	111.5	K211 M214 P239 L240 V241 V245 K246 E247	K211-E243 WeakPolarHBondContact CE-OE1 3.1Å; K211-E243 VanDerWaalsContact CE-OE2 3.31Å; K211-E243 WeakPolarHBondContact CE-OE2 3.48Å; K211-E243 IonicContact NZ-OE1 2.79Å; K211-E243 PolarHBondContact NZ-OE1 3.42Å; K211-E243 IonicContact NZ-OE2 3.44Å; K211-E243 PolarHBondContact NZ-OE2 3.48Å; M214-E243 HydrophobicContact CE-CG 4.49Å; P239-E243 PolarHBondContact O-N 2.94Å; L240-E243 PolarHBondContact O-N 3.22Å; V241-E243 VanDerWaalsContact C-N 3.27Å; V241-E243 PolarHBondContact O-N 3.31Å; E243-V245 VanDerWaalsContact C-N 3.3Å; E243-V245 PolarHBondContact O-N 3.31Å; E243-K246 PolarHBondContact O-N 2.73Å; E243-K246 VanDerWaalsContact O-N 3.15Å; E243-E247 WeakPolarHBondContact O-CG 3.26Å; E243-E247 PolarHBondContact O-N 2.95Å
244	I	84.8	Confident	78.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-53.6	-48.6	174.7	-70.3	161.7	0	0	0	111.1	I200 I203 M214 M218 L240 V241 K246 E247 C248	I200-I244 HydrophobicContact CD1-CD1 3.06Å; I203-I244 HydrophobicContact CD1-CD1 3.9Å; I203-I244 HydrophobicContact CD1-CG1 4.41Å; M214-I244 HydrophobicContact CG-CG1 3.71Å; M214-I244 HydrophobicContact SD-CB 4.03Å; M214-I244 HydrophobicContact SD-CD1 4.33Å; M214-I244 HydrophobicContact SD-CG1 3.18Å; M214-I244 WeakPolarHBondContact SD-CG1 2.94Å; M218-I244 HydrophobicContact CE-CG2 3.8Å; M218-I244 HydrophobicContact CG-CG2 3.93Å; M218-I244 HydrophobicContact SD-CG2 3.99Å; L240-I244 HydrophobicContact CD1-CD1 4.47Å; L240-I244 HydrophobicContact CG-CD1 4.02Å; L240-I244 WeakPolarHBondContact O-CG1 3.48Å; L240-I244 PolarHBondContact O-N 3.26Å; V241-I244 PolarHBondContact O-N 2.96Å; I244-K246 VanDerWaalsContact C-N 3.34Å; I244-K246 PolarHBondContact O-N 2.71Å; I244-E247 PolarHBondContact O-N 3.18Å; I244-C248 WeakPolarHBondContact O-CB 3.19Å; I244-C248 PolarHBondContact O-N 2.75Å; I244-C248 PolarHBondContact O-SG 3.42Å
245	V	80.9	Confident	77.3	Confident	10 Å²	10	73.6 Å²	73.6	6%	0.061	39%	0.387	C	S	.	.	H	α-helix	trans	-68.4	-33	-177.7	177.3	0	0	0	0	112.3	M235 V241 E243 I251 L253	M235-V245 HydrophobicContact CE-CB 3.91Å; M235-V245 HydrophobicContact CE-CG1 3.69Å; M235-V245 HydrophobicContact CE-CG2 4.46Å; M235-V245 HydrophobicContact CG-CB 4.36Å; M235-V245 HydrophobicContact CG-CG2 3.93Å; M235-V245 HydrophobicContact SD-CB 3.97Å; M235-V245 HydrophobicContact SD-CG1 3.68Å; M235-V245 HydrophobicContact SD-CG2 3.91Å; V241-V245 HydrophobicContact CG1-CG2 4.23Å; V241-V245 VanDerWaalsContact O-CG2 3.25Å; V241-V245 WeakPolarHBondContact O-CG2 3.39Å; V241-V245 PolarHBondContact O-N 3.1Å; E243-V245 VanDerWaalsContact C-N 3.3Å; E243-V245 PolarHBondContact O-N 3.31Å; V245-I251 HydrophobicContact CB-CD1 4.31Å; V245-I251 HydrophobicContact CG1-CB 4.47Å; V245-I251 HydrophobicContact CG1-CG2 4.46Å; V245-I251 HydrophobicContact CG2-CD1 3.81Å; V245-L253 HydrophobicContact CG1-CD1 4.04Å; V245-L253 HydrophobicContact CG1-CD2 4.27Å; V245-L253 HydrophobicContact CG1-CG 4.38Å
246	K	81.4	Confident	76.4	Confident	166 Å²	166	76.1 Å²	76.1	72%	0.722	41%	0.406	S	S	*	.	H	α-helix	trans	-67	-42.4	174.4	-78.5	175.2	179.7	-177.4	0	112.3	R242 E243 I244	R242-K246 VanDerWaalsContact O-CG 3.27Å; R242-K246 WeakPolarHBondContact O-CG 3.26Å; R242-K246 PolarHBondContact O-N 3.45Å; R242-K246 VanDerWaalsContact O-N 3.13Å; E243-K246 PolarHBondContact O-N 2.73Å; E243-K246 VanDerWaalsContact O-N 3.15Å; I244-K246 VanDerWaalsContact C-N 3.34Å; I244-K246 PolarHBondContact O-N 2.71Å
247	E	78.3	Confident	75.3	Confident	111 Å²	111	75.5 Å²	75.5	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-77.9	-29.1	-178.3	-69.2	-62.2	139.4	0	0	112.7	M214 E243 I244 S249	M214-E247 HydrophobicContact CE-CB 3.58Å; M214-E247 HydrophobicContact CE-CG 3.58Å; E243-E247 WeakPolarHBondContact O-CG 3.26Å; E243-E247 PolarHBondContact O-N 2.95Å; I244-E247 PolarHBondContact O-N 3.18Å; E247-S249 PolarHBondContact O-N 3.08Å
248	C	77.1	Confident	74.2	Confident	13 Å²	13	78.8 Å²	78.8	9%	0.088	41%	0.412	C	S	.	.			trans	-95	86.1	179.5	-61.3	0	0	0	0	111.2	I244 N250 I251	I244-C248 WeakPolarHBondContact O-CB 3.19Å; I244-C248 PolarHBondContact O-N 2.75Å; I244-C248 PolarHBondContact O-SG 3.42Å; C248-N250 PolarHBondContact O-N 3.49Å; C248-I251 HydrophobicContact CB-CD1 3.93Å; C248-I251 HydrophobicContact CB-CG1 3.97Å; C248-I251 PolarHBondContact O-N 2.98Å
249	S	67.7	Low	73.3	Confident	104 Å²	104	77.1 Å²	77.1	73%	0.727	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-12	176.9	57.3	0	0	0	0	115.3	E247	E247-S249 PolarHBondContact O-N 3.08Å
250	N	67.3	Low	72.3	Confident	127 Å²	127	80.9 Å²	80.9	68%	0.679	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.5	-176.4	-62.9	-5.4	0	0	0	113.4	C248 P252	C248-N250 PolarHBondContact O-N 3.49Å; N250-P252 VanDerWaalsContact O-CD 3.29Å; N250-P252 WeakPolarHBondContact O-CD 3.47Å
251	I	67.1	Low	71.5	Confident	12 Å²	12	81.8 Å²	81.8	6%	0.062	44%	0.44	C	S	.	.	S	Bend	trans	-80.4	111.1	179.5	-56.1	-173.4	0	0	0	109.8	M218 V223 L231 V245 C248 L253	M218-I251 HydrophobicContact CE-CD1 4.23Å; V223-I251 HydrophobicContact CG1-CB 4.03Å; V223-I251 HydrophobicContact CG1-CG1 3.73Å; V223-I251 HydrophobicContact CG1-CG2 4.12Å; L231-I251 HydrophobicContact CD1-CG2 3.58Å; V245-I251 HydrophobicContact CB-CD1 4.31Å; V245-I251 HydrophobicContact CG1-CB 4.47Å; V245-I251 HydrophobicContact CG1-CG2 4.46Å; V245-I251 HydrophobicContact CG2-CD1 3.81Å; C248-I251 HydrophobicContact CB-CD1 3.93Å; C248-I251 HydrophobicContact CB-CG1 3.97Å; C248-I251 PolarHBondContact O-N 2.98Å; I251-L253 PolarHBondContact O-N 2.69Å
252	P	64.6	Low	70.8	Confident	58 Å²	58	86.8 Å²	86.8	38%	0.377	46%	0.464	S	S	.	.			trans	-72.5	101.1	-177.5	29.2	-29.3	0	0	0	109.3	N250 S254	N250-P252 VanDerWaalsContact O-CD 3.29Å; N250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-S254 VanDerWaalsContact C-N 3.27Å
253	L	64.2	Low	70.1	Confident	73 Å²	73	83.6 Å²	83.6	38%	0.382	45%	0.454	S	S	.	.			trans	-81	-8.9	171.3	-70.7	169.5	0	0	0	112.7	R232 M235 V245 I251	R232-L253 PolarHBondContact NH2-O 3.16Å; M235-L253 HydrophobicContact SD-CD2 3.98Å; V245-L253 HydrophobicContact CG1-CD1 4.04Å; V245-L253 HydrophobicContact CG1-CD2 4.27Å; V245-L253 HydrophobicContact CG1-CG 4.38Å; I251-L253 PolarHBondContact O-N 2.69Å
254	S	64.3	Low	69.4	Low	85 Å²	85	84 Å²	84	59%	0.594	47%	0.469	S	S	*	.	S	Bend	trans	-82	159	177.7	58.7	0	0	0	0	112.3	P252	P252-S254 VanDerWaalsContact C-N 3.27Å
255	Q	59.1	Low	68.9	Low	158 Å²	158	88.2 Å²	88.2	74%	0.738	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-51.9	144.2	176.1	-74.3	-175.3	-5.7	0	0	111.5	Q257	Q255-Q257 PolarHBondContact O-N 3.43Å
256	P	61.6	Low	68.8	Low	91 Å²	91	92.7 Å²	92.7	59%	0.591	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-55.6	137.2	178.9	20.4	-30.4	0	0	0	110.5	Q258	P256-Q258 PolarHBondContact O-N 3.33Å
257	Q	62	Low	68.9	Low	112 Å²	112	87.9 Å²	87.9	52%	0.523	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-55.5	138	171.8	-66.1	174.6	-2	0	0	108.7	Q255 A261 M262 N265	Q255-Q257 PolarHBondContact O-N 3.43Å; Q257-A261 HydrophobicContact CB-CB 4.09Å; Q257-M262 WeakPolarHBondContact O-CB 3.47Å; Q257-N265 PolarHBondContact OE1-ND2 3.42Å
258	Q	62.9	Low	69.4	Low	170 Å²	170	84 Å²	84	79%	0.794	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-94.8	152	-179.7	-66.3	-179.2	4.4	0	0	111.1	P256	P256-Q258 PolarHBondContact O-N 3.33Å
259	G	67.9	Low	70.1	Confident	54 Å²	54	84.5 Å²	84.5	56%	0.557	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-137	170.8	0	0	0	0	0	114.3	A261 M262	G259-A261 VanDerWaalsContact C-N 3.32Å; G259-A261 PolarHBondContact O-N 3.3Å; G259-M262 VanDerWaalsContact O-CB 3.29Å; G259-M262 WeakPolarHBondContact O-CB 3.18Å; G259-M262 PolarHBondContact O-N 2.62Å; G259-M262 VanDerWaalsContact O-N 3.17Å
260	E	67.4	Low	71.4	Confident	167 Å²	167	79.6 Å²	79.6	78%	0.78	44%	0.44	S	S	*	.	H	α-helix	trans	-62.4	-34.7	-171.8	-65	179.5	166.5	0	0	113.5	M262 L263 A264	E260-M262 VanDerWaalsContact C-N 3.26Å; E260-M262 PolarHBondContact O-N 3.06Å; E260-L263 PolarHBondContact O-N 2.77Å; E260-A264 PolarHBondContact O-N 3.26Å
261	A	68	Low	72.7	Confident	44 Å²	44	75.4 Å²	75.4	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-32.5	178.1	0	0	0	0	0	112.4	Q257 G259 N265	Q257-A261 HydrophobicContact CB-CB 4.09Å; G259-A261 VanDerWaalsContact C-N 3.32Å; G259-A261 PolarHBondContact O-N 3.3Å; A261-N265 PolarHBondContact O-N 3.21Å; A261-N265 PolarHBondContact O-ND2 3.04Å
262	M	70.9	Confident	74.1	Confident	105 Å²	105	75.6 Å²	75.6	52%	0.517	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-47.1	174	-167.3	-175.6	170.9	0	0	111.2	Q257 G259 E260 N265 F266	Q257-M262 WeakPolarHBondContact O-CB 3.47Å; G259-M262 VanDerWaalsContact O-CB 3.29Å; G259-M262 WeakPolarHBondContact O-CB 3.18Å; G259-M262 PolarHBondContact O-N 2.62Å; G259-M262 VanDerWaalsContact O-N 3.17Å; E260-M262 VanDerWaalsContact C-N 3.26Å; E260-M262 PolarHBondContact O-N 3.06Å; M262-N265 CarbonylContact O-C 3.58Å; M262-N265 PolarHBondContact O-N 2.77Å; M262-F266 WeakPolarHBondContact O-CB 2.87Å; M262-F266 PolarHBondContact O-N 2.86Å
263	L	70.5	Confident	75.6	Confident	30 Å²	30	74.9 Å²	74.9	16%	0.157	41%	0.408	C	S	.	.	H	α-helix	trans	-68.5	-37.5	-177.9	-68.2	169	0	0	0	111.8	E260 N265 F266 F581 I592	E260-L263 PolarHBondContact O-N 2.77Å; L263-N265 PolarHBondContact O-N 2.91Å; L263-F266 PolarHBondContact O-N 3Å; L263-F581 HydrophobicContact CD2-CZ 4.01Å; L263-F581 WeakPolarHBondContact O-CE1 3.25Å; L263-I592 HydrophobicContact CD1-CD1 3.21Å; L263-I592 HydrophobicContact CD1-CG1 3.64Å
264	A	70.1	Confident	77.2	Confident	75 Å²	75	71.4 Å²	71.4	62%	0.62	39%	0.39	S	S	*	.	H	α-helix	trans	-60	-33.2	175.5	0	0	0	0	0	112.5	E260	E260-A264 PolarHBondContact O-N 3.26Å
265	N	72.9	Confident	78.8	Confident	88 Å²	88	67.3 Å²	67.3	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-96.3	-5.9	-179.9	-69.4	-30.4	0	0	0	113.9	Q257 A261 M262 L263 K267	Q257-N265 PolarHBondContact OE1-ND2 3.42Å; A261-N265 PolarHBondContact O-N 3.21Å; A261-N265 PolarHBondContact O-ND2 3.04Å; M262-N265 CarbonylContact O-C 3.58Å; M262-N265 PolarHBondContact O-N 2.77Å; L263-N265 PolarHBondContact O-N 2.91Å; N265-K267 PolarHBondContact O-N 2.92Å
266	F	79.4	Confident	80.6	Confident	104 Å²	104	59.8 Å²	59.8	46%	0.456	33%	0.327	S	S	.	.			trans	-73.8	116.5	-178.8	-174.2	-109.2	0	0	0	110.5	M262 L263 P268 F581	M262-F266 WeakPolarHBondContact O-CB 2.87Å; M262-F266 PolarHBondContact O-N 2.86Å; L263-F266 PolarHBondContact O-N 3Å; F266-P268 HydrophobicContact CD1-CG 4.29Å; F266-P268 HydrophobicContact CE1-CB 3.91Å; F266-P268 HydrophobicContact CE1-CG 3.78Å; F266-P268 HydrophobicContact CZ-CB 4.05Å; F266-P268 HydrophobicContact CZ-CG 4.43Å; F266-F581 HydrophobicContact CB-CE1 4.03Å; F266-F581 HydrophobicContact CB-CZ 4.17Å; F266-F581 HydrophobicContact CD1-CD1 4.1Å; F266-F581 HydrophobicContact CD1-CD2 4.12Å; F266-F581 AromaticContact CD1-CE1 3.77Å; F266-F581 HydrophobicContact CD1-CE1 3.77Å; F266-F581 AromaticContact CD1-CE2 3.79Å; F266-F581 HydrophobicContact CD1-CE2 3.79Å; F266-F581 HydrophobicContact CD1-CG 4.26Å; F266-F581 AromaticContact CD1-CZ 3.61Å; F266-F581 HydrophobicContact CD1-CZ 3.61Å; F266-F581 HydrophobicContact CE1-CD2 4.38Å; F266-F581 HydrophobicContact CE1-CE2 4.3Å; F266-F581 HydrophobicContact CG-CE1 4.4Å; F266-F581 HydrophobicContact CG-CZ 4.35Å; F266-F581 WeakPolarHBondContact O-CD1 3.41Å; F266-F581 WeakPolarHBondContact O-CE1 3.09Å
267	K	83.3	Confident	82.4	Confident	65 Å²	65	55.6 Å²	55.6	28%	0.283	30%	0.299	S	S	.	.			trans	-126.9	92.7	179.6	-163.3	-172.5	178.6	-171.4	0	109.5	E185 W222 N265 C578	E185-K267 VanDerWaalsContact OE1-CE 3.31Å; E185-K267 WeakPolarHBondContact OE1-CE 3.21Å; E185-K267 IonicContact OE1-NZ 2.7Å; E185-K267 PolarHBondContact OE1-NZ 3.45Å; W222-K267 HydrophobicContact CD2-CD 3.76Å; W222-K267 HydrophobicContact CD2-CG 4.36Å; W222-K267 HydrophobicContact CE3-CB 4.03Å; W222-K267 HydrophobicContact CE3-CD 3.69Å; W222-K267 HydrophobicContact CE3-CG 3.77Å; W222-K267 HydrophobicContact CH2-CD 3.8Å; W222-K267 HydrophobicContact CH2-CG 4.02Å; W222-K267 HydrophobicContact CZ2-CD 3.87Å; W222-K267 HydrophobicContact CZ3-CB 4.19Å; W222-K267 HydrophobicContact CZ3-CD 3.68Å; W222-K267 HydrophobicContact CZ3-CG 3.54Å; W222-K267 WeakPolarHBondContact CZ3-O 3.16Å; N265-K267 PolarHBondContact O-N 2.92Å; K267-C578 HydrophobicContact CD-CB 4.44Å; K267-C578 HydrophobicContact CG-CB 3.52Å
268	P	88.6	Confident	84.1	Confident	29 Å²	29	50.2 Å²	50.2	19%	0.188	27%	0.274	C	S	.	.			trans	-75.4	133.3	179.7	27.9	-33	0	0	0	111.5	F266 N577 C578 F581	F266-P268 HydrophobicContact CD1-CG 4.29Å; F266-P268 HydrophobicContact CE1-CB 3.91Å; F266-P268 HydrophobicContact CE1-CG 3.78Å; F266-P268 HydrophobicContact CZ-CB 4.05Å; F266-P268 HydrophobicContact CZ-CG 4.43Å; P268-N577 HydrophobicContact CB-CB 4.2Å; P268-N577 HydrophobicContact CG-CB 4.11Å; P268-C578 WeakPolarHBondContact O-CB 3.19Å; P268-C578 PolarHBondContact O-N 2.84Å; P268-C578 VanDerWaalsContact O-N 3.12Å; P268-F581 HydrophobicContact CG-CB 3.98Å; P268-F581 HydrophobicContact CG-CG 4.33Å
269	R	92	Very high	85.8	Confident	24 Å²	24	42.1 Å²	42.1	9%	0.091	24%	0.237	C	C	.	.			trans	-76	170.5	171.7	-81.8	-159.1	-171	-102.2	8.1	112.3	I182 L184 L187 V189 E192 W222 N577	I182-R269 VanDerWaalsContact O-CZ 3.25Å; I182-R269 PolarHBondContact O-NH1 3.46Å; I182-R269 PolarHBondContact O-NH2 3.04Å; L184-R269 PolarHBondContact O-NH1 3.46Å; L187-R269 WeakPolarHBondContact O-CB 3.1Å; V189-R269 HydrophobicContact CG2-CB 4.33Å; E192-R269 VanDerWaalsContact CD-NE 3.33Å; E192-R269 IonicContact OE1-CZ 2.77Å; E192-R269 IonicContact OE1-NE 3.7Å; E192-R269 PolarHBondContact OE1-NE 2.92Å; E192-R269 IonicContact OE1-NH2 3Å; E192-R269 PolarHBondContact OE1-NH2 3.25Å; E192-R269 WeakPolarHBondContact OE2-CD 3.38Å; E192-R269 IonicContact OE2-CZ 2.62Å; E192-R269 IonicContact OE2-NE 3.98Å; E192-R269 PolarHBondContact OE2-NE 2.67Å; E192-R269 IonicContact OE2-NH2 3.72Å; W222-R269 HydrophobicContact CD2-CG 4.12Å; W222-R269 HydrophobicContact CE3-CG 3.42Å; W222-R269 VanDerWaalsContact CE3-CG 3.42Å; W222-R269 HydrophobicContact CH2-CG 3.66Å; W222-R269 HydrophobicContact CZ2-CG 4.31Å; W222-R269 HydrophobicContact CZ3-CB 4.05Å; W222-R269 HydrophobicContact CZ3-CG 3.18Å; R269-N577 PolarHBondContact O-ND2 3.32Å
270	G	94.7	Very high	87.2	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	90.7	-174.4	177	0	0	0	0	0	112	E185 K186 L187 A576 N577	E185-G270 PolarHBondContact O-N 2.91Å; K186-G270 WeakPolarHBondContact O-CA 3.41Å; L187-G270 WeakPolarHBondContact O-CA 3.45Å; L187-G270 PolarHBondContact O-N 2.77Å; L187-G270 VanDerWaalsContact O-N 3.17Å; G270-A576 WeakPolarHBondContact O-CA 3.26Å; G270-N577 VanDerWaalsContact C-ND2 3.31Å; G270-N577 PolarHBondContact O-N 2.68Å
271	Y	95.5	Very high	88.5	Confident	39 Å²	39	32.4 Å²	32.4	15%	0.153	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	163.4	178.5	62.5	-89.2	0	0	0	110.5	T159 K186 N188 E273 R574 I575 N577	T159-Y271 PolarHBondContact OG1-OH 3.5Å; K186-Y271 HydrophobicContact CB-CD1 4.25Å; N188-Y271 HydrophobicContact CB-CE1 4.29Å; Y271-E273 HydrophobicContact CD2-CG 4.35Å; Y271-E273 HydrophobicContact CE2-CG 4.12Å; Y271-R574 HydrophobicContact CD2-CB 4.22Å; Y271-R574 HydrophobicContact CD2-CG 3.78Å; Y271-R574 HydrophobicContact CE2-CG 4.07Å; Y271-I575 CarbonylContact C-O 3.58Å; Y271-I575 VanDerWaalsContact CA-O 3.3Å; Y271-I575 WeakPolarHBondContact CA-O 3.07Å; Y271-N577 PolarHBondContact N-ND2 3.07Å; Y271-N577 PolarHBondContact O-OD1 3.42Å
272	S	95.4	Very high	89.9	Confident	16 Å²	16	34.5 Å²	34.5	11%	0.112	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.6	166.5	-67	0	0	0	0	109.5	C274 Y299 I575 N577	S272-C274 PolarHBondContact O-N 3.23Å; S272-C274 PolarHBondContact O-SG 3.41Å; S272-C274 VanDerWaalsContact O-SG 3.42Å; S272-Y299 PolarHBondContact OG-OH 3.12Å; S272-I575 PolarHBondContact N-O 3.24Å; S272-I575 PolarHBondContact O-N 3.2Å; S272-N577 PolarHBondContact N-OD1 3.48Å; S272-N577 PolarHBondContact OG-OD1 2.95Å
273	E	96.2	Very high	90.9	Very high	42 Å²	42	32.4 Å²	32.4	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.8	170.3	-66.5	-176.9	148.4	0	0	108.6	Y271 P297 I525 G526 R574	Y271-E273 HydrophobicContact CD2-CG 4.35Å; Y271-E273 HydrophobicContact CE2-CG 4.12Å; E273-P297 WeakPolarHBondContact O-CD 2.98Å; E273-I525 HydrophobicContact CB-CG1 4.35Å; E273-I525 HydrophobicContact CB-CG2 3.62Å; E273-G526 PolarHBondContact OE2-N 3.1Å; E273-R574 HydrophobicContact CG-CG 3.82Å; E273-R574 IonicContact OE1-CZ 3.71Å; E273-R574 IonicContact OE1-NE 2.9Å; E273-R574 PolarHBondContact OE1-NE 2.85Å; E273-R574 IonicContact OE1-NH2 2.67Å; E273-R574 PolarHBondContact OE1-NH2 3.05Å
274	C	97.7	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143	-173.1	-58.8	0	0	0	0	111	S272 V276 C294 M295 C296 A572 L573 I575	S272-C274 PolarHBondContact O-N 3.23Å; S272-C274 PolarHBondContact O-SG 3.41Å; S272-C274 VanDerWaalsContact O-SG 3.42Å; C274-V276 HydrophobicContact CB-CG2 4.44Å; C274-C294 HydrophobicContact CB-CB 4Å; C274-M295 CarbonylContact C-O 3.5Å; C274-M295 VanDerWaalsContact CA-O 3.3Å; C274-M295 WeakPolarHBondContact CA-O 3.34Å; C274-C296 PolarHBondContact SG-SG 3.21Å; C274-A572 CarbonylContact O-C 3.57Å; C274-A572 WeakPolarHBondContact O-CA 3.21Å; C274-L573 PolarHBondContact N-O 3.12Å; C274-L573 PolarHBondContact O-N 3.03Å; C274-I575 HydrophobicContact CB-CD1 4.38Å
275	I	98	Very high	93.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.4	159.6	-58.6	167.8	0	0	0	106.5	C294 M295 P297 W306 I525 Y530 I532 V544	I275-C294 CarbonylContact O-C 3.54Å; I275-C294 WeakPolarHBondContact O-CA 3.17Å; I275-M295 HydrophobicContact CD1-CE 3.85Å; I275-M295 PolarHBondContact N-O 3.49Å; I275-M295 PolarHBondContact O-N 2.72Å; I275-P297 HydrophobicContact CD1-CB 3.95Å; I275-P297 HydrophobicContact CD1-CG 3.99Å; I275-P297 HydrophobicContact CG1-CB 4.49Å; I275-P297 HydrophobicContact CG1-CG 3.99Å; I275-W306 HydrophobicContact CG2-CH2 4.29Å; I275-I525 HydrophobicContact CG1-CD1 3.61Å; I275-Y530 HydrophobicContact CD1-CD1 3.85Å; I275-Y530 HydrophobicContact CD1-CD2 4.32Å; I275-Y530 HydrophobicContact CD1-CG 3.63Å; I275-Y530 HydrophobicContact CG1-CG 4.32Å; I275-I532 HydrophobicContact CG2-CD1 3.8Å; I275-I532 HydrophobicContact CG2-CG1 3.89Å; I275-V544 HydrophobicContact CD1-CG1 3.79Å
276	V	98.3	Very high	94.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.6	177.7	-179.1	0	0	0	0	109	C274 V278 M292 R293 C294 L309 L328 C570 A571 L573	C274-V276 HydrophobicContact CB-CG2 4.44Å; V276-V278 HydrophobicContact CG1-CG2 3.77Å; V276-M292 HydrophobicContact CG1-CE 3.4Å; V276-M292 HydrophobicContact CG1-CG 4.16Å; V276-R293 CarbonylContact C-O 3.41Å; V276-R293 WeakPolarHBondContact CA-O 3.42Å; V276-C294 HydrophobicContact CG2-CB 3.99Å; V276-L309 HydrophobicContact CG1-CD1 4.5Å; V276-L328 HydrophobicContact CB-CD1 4.18Å; V276-L328 HydrophobicContact CG1-CD1 3.87Å; V276-C570 VanDerWaalsContact O-CA 3.28Å; V276-C570 WeakPolarHBondContact O-CA 3.33Å; V276-A571 PolarHBondContact N-O 2.93Å; V276-A571 PolarHBondContact O-N 3.19Å; V276-L573 HydrophobicContact CG2-CB 3.63Å; V276-L573 HydrophobicContact CG2-CD2 4.28Å
277	T	98	Very high	94.8	Very high	2 Å²	2	42 Å²	42	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.1	169.7	61.9	0	0	0	0	110	M292 R293 W306 I532 Y543 G569	T277-M292 WeakPolarHBondContact O-CA 3.27Å; T277-R293 PolarHBondContact N-O 2.99Å; T277-R293 PolarHBondContact O-N 3.44Å; T277-W306 HydrophobicContact CG2-CH2 3.72Å; T277-W306 HydrophobicContact CG2-CZ2 4.39Å; T277-W306 HydrophobicContact CG2-CZ3 4.11Å; T277-I532 HydrophobicContact CG2-CG2 4.47Å; T277-Y543 HydrophobicContact CG2-CE1 4.5Å; T277-G569 CarbonylContact C-O 3.55Å; T277-G569 VanDerWaalsContact CA-O 3.24Å; T277-G569 WeakPolarHBondContact CA-O 3.36Å
278	V	98.3	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.3	-174.4	-162	0	0	0	0	110.6	V276 M292 L312 H319 V321 L328 V330 W354 G569	V276-V278 HydrophobicContact CG1-CG2 3.77Å; V278-M292 HydrophobicContact CG1-CB 4.49Å; V278-M292 HydrophobicContact CG1-CG 4.35Å; V278-M292 HydrophobicContact CG2-CE 4.3Å; V278-M292 HydrophobicContact CG2-CG 4.11Å; V278-L312 HydrophobicContact CG1-CD1 3.75Å; V278-L312 HydrophobicContact CG1-CD2 4.17Å; V278-L312 HydrophobicContact CG1-CG 3.84Å; V278-H319 PolarHBondContact O-CE1 3.06Å; V278-H319 VanDerWaalsContact O-CE1 3.25Å; V278-H319 PolarHBondContact O-NE2 2.98Å; V278-V321 HydrophobicContact CG2-CG2 4.06Å; V278-L328 HydrophobicContact CG2-CD1 4.28Å; V278-L328 HydrophobicContact CG2-CD2 3.98Å; V278-V330 HydrophobicContact CG1-CG2 4.09Å; V278-W354 HydrophobicContact CG1-CH2 4.12Å; V278-W354 HydrophobicContact CG1-CZ2 4.05Å; V278-G569 PolarHBondContact N-O 3.27Å; V278-G569 PolarHBondContact O-N 2.83Å
279	G	98	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	55.4	-137.5	177.6	0	0	0	0	0	112.7	T289 A291	G279-T289 VanDerWaalsContact CA-O 3.22Å; G279-T289 WeakPolarHBondContact CA-O 3.44Å; G279-T289 WeakPolarHBondContact O-CG2 3.31Å; G279-A291 PolarHBondContact N-O 3.41Å
280	G	97.3	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.			trans	89.3	-153.1	-175.7	0	0	0	0	0	110.9	P288 T289 R316 I317 R566 R567	G280-P288 CarbonylContact O-C 3.55Å; G280-P288 VanDerWaalsContact O-CA 3.31Å; G280-P288 WeakPolarHBondContact O-CA 3.22Å; G280-T289 PolarHBondContact O-N 2.86Å; G280-R316 PolarHBondContact N-O 2.78Å; G280-I317 WeakPolarHBondContact O-CG2 3.37Å; G280-R566 CarbonylContact C-O 3.57Å; G280-R566 WeakPolarHBondContact CA-O 3.08Å; G280-R567 WeakPolarHBondContact CA-O 3.4Å
281	E	96.4	Very high	96.3	Very high	16 Å²	16	40 Å²	40	8%	0.075	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-125.1	149	-179.2	69.9	-179	-158.5	0	0	111.7	K287 I317 R566	E281-K287 CarbonylContact C-O 3.55Å; E281-K287 VanDerWaalsContact CA-O 3.26Å; E281-K287 WeakPolarHBondContact CA-O 3.33Å; E281-I317 HydrophobicContact CB-CG2 4.17Å; E281-R566 HydrophobicContact CG-CB 3.65Å; E281-R566 PolarHBondContact N-O 2.87Å; E281-R566 PolarHBondContact O-N 3.48Å; E281-R566 IonicContact OE1-CZ 3.6Å; E281-R566 IonicContact OE1-NE 3.91Å; E281-R566 IonicContact OE1-NH1 2.77Å; E281-R566 PolarHBondContact OE1-NH1 3.31Å
282	E	95.8	Very high	96.4	Very high	89 Å²	89	38.1 Å²	38.1	42%	0.416	19%	0.192	S	C	.	.			trans	-69.3	134.1	168.5	-72.5	-179.1	-175.1	0	0	110.9	V284 S285 R286 K287 L565	E282-V284 PolarHBondContact O-N 3.24Å; E282-S285 VanDerWaalsContact CB-OG 3.23Å; E282-S285 WeakPolarHBondContact CB-OG 3.3Å; E282-S285 WeakPolarHBondContact OE2-CB 3.49Å; E282-S285 PolarHBondContact OE2-OG 3.32Å; E282-R286 WeakPolarHBondContact O-CA 3.25Å; E282-R286 PolarHBondContact O-N 2.97Å; E282-K287 PolarHBondContact N-O 3.31Å; E282-L565 HydrophobicContact CG-CD2 4.38Å
283	R	93.3	Very high	96.5	Very high	60 Å²	60	39.3 Å²	39.3	23%	0.226	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-42.7	-175.4	-178.5	166.9	-59	-82.1	-2.8	114	D534 L560 D564 L565 R566	R283-D534 IonicContact CZ-OD1 3.27Å; R283-D534 IonicContact CZ-OD2 2.99Å; R283-D534 IonicContact NH1-OD1 3.95Å; R283-D534 PolarHBondContact NH1-OD1 2.55Å; R283-D534 IonicContact NH1-OD2 3.87Å; R283-D534 PolarHBondContact NH1-OD2 2.85Å; R283-D534 IonicContact NH2-OD1 3.64Å; R283-D534 PolarHBondContact NH2-OD1 3.06Å; R283-D534 IonicContact NH2-OD2 3.15Å; R283-L560 VanDerWaalsContact NH2-CD1 3.33Å; R283-D564 PolarHBondContact NE-O 3.06Å; R283-L565 PolarHBondContact NH2-O 3.12Å; R283-R566 HydrophobicContact CB-CG 4.23Å; R283-R566 HydrophobicContact CG-CG 4.43Å; R283-R566 VanDerWaalsContact CZ-CG 3.42Å; R283-R566 VanDerWaalsContact NH2-CG 3.29Å
284	V	93	Very high	96.6	Very high	135 Å²	135	37.3 Å²	37.3	82%	0.818	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-51.3	-174.2	-179.2	0	0	0	0	111.3	E282	E282-V284 PolarHBondContact O-N 3.24Å
285	S	93.9	Very high	96.5	Very high	51 Å²	51	37.3 Å²	37.3	36%	0.357	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.6	-175.1	73.5	0	0	0	0	113.2	E282 K287	E282-S285 VanDerWaalsContact CB-OG 3.23Å; E282-S285 WeakPolarHBondContact CB-OG 3.3Å; E282-S285 WeakPolarHBondContact OE2-CB 3.49Å; E282-S285 PolarHBondContact OE2-OG 3.32Å; S285-K287 PolarHBondContact O-N 3.28Å; S285-K287 PolarHBondContact OG-N 3.35Å
286	R	93	Very high	96.4	Very high	182 Å²	182	37.5 Å²	37.5	69%	0.687	19%	0.186	S	C	*	.			trans	56.1	24.2	-173	-57.8	-173.6	175.7	-172.4	-0.8	113.8	E282	E282-R286 WeakPolarHBondContact O-CA 3.25Å; E282-R286 PolarHBondContact O-N 2.97Å
287	K	95.3	Very high	96.1	Very high	131 Å²	131	37.9 Å²	37.9	57%	0.57	19%	0.188	S	C	*	.			trans	-88.3	142.6	174.5	-67.2	-173.4	174.7	-171.6	0	110.2	E281 E282 S285	E281-K287 CarbonylContact C-O 3.55Å; E281-K287 VanDerWaalsContact CA-O 3.26Å; E281-K287 WeakPolarHBondContact CA-O 3.33Å; E282-K287 PolarHBondContact N-O 3.31Å; S285-K287 PolarHBondContact O-N 3.28Å; S285-K287 PolarHBondContact OG-N 3.35Å
288	P	97	Very high	95.7	Very high	21 Å²	21	43 Å²	43	14%	0.136	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-52.3	147.4	166.9	-28.7	38.7	0	0	0	111.3	G280 P315 I317 E336	G280-P288 CarbonylContact O-C 3.55Å; G280-P288 VanDerWaalsContact O-CA 3.31Å; G280-P288 WeakPolarHBondContact O-CA 3.22Å; P288-P315 HydrophobicContact CB-CB 3.97Å; P288-I317 HydrophobicContact CB-CG2 4.03Å; P288-I317 HydrophobicContact CG-CD1 4.42Å; P288-I317 HydrophobicContact CG-CG1 4.43Å; P288-I317 HydrophobicContact CG-CG2 4.16Å; P288-E336 HydrophobicContact CB-CG 4.19Å; P288-E336 HydrophobicContact CG-CG 4.3Å
289	T	97.5	Very high	95.1	Very high	18 Å²	18	46.4 Å²	46.4	11%	0.11	23%	0.228	C	C	.	.			trans	-128	156.3	176.2	-172.7	0	0	0	0	111	G279 G280 A291 P315 R316 L565	G279-T289 VanDerWaalsContact CA-O 3.22Å; G279-T289 WeakPolarHBondContact CA-O 3.44Å; G279-T289 WeakPolarHBondContact O-CG2 3.31Å; G280-T289 PolarHBondContact O-N 2.86Å; T289-A291 HydrophobicContact CG2-CB 4.22Å; T289-A291 WeakPolarHBondContact OG1-CB 3.36Å; T289-A291 PolarHBondContact OG1-N 2.79Å; T289-P315 WeakPolarHBondContact O-CA 3.47Å; T289-R316 PolarHBondContact O-N 3.43Å; T289-L565 HydrophobicContact CG2-CD1 3.8Å; T289-L565 HydrophobicContact CG2-CD2 3.9Å; T289-L565 HydrophobicContact CG2-CG 4.4Å
290	A	97.7	Very high	94.4	Very high	16 Å²	16	50.4 Å²	50.4	13%	0.132	25%	0.249	C	C	.	.			trans	-97.4	-2.3	171.4	0	0	0	0	0	112.2	P311 L312 P315	A290-P311 HydrophobicContact CB-CB 4.16Å; A290-P311 CarbonylContact O-C 3.52Å; A290-P311 VanDerWaalsContact O-CA 3.25Å; A290-P311 WeakPolarHBondContact O-CA 3.42Å; A290-P311 VanDerWaalsContact O-CB 3.27Å; A290-P311 WeakPolarHBondContact O-CB 3.24Å; A290-L312 HydrophobicContact CB-CB 4.02Å; A290-L312 WeakPolarHBondContact CB-O 3.47Å; A290-L312 PolarHBondContact O-N 3.01Å; A290-P315 HydrophobicContact CB-CG 4.19Å
291	A	97.8	Very high	93.6	Very high	21 Å²	21	54.9 Å²	54.9	17%	0.174	28%	0.278	C	S	.	.			trans	-58.7	141.2	-172.7	0	0	0	0	0	112.2	G279 T289 L565	G279-A291 PolarHBondContact N-O 3.41Å; T289-A291 HydrophobicContact CG2-CB 4.22Å; T289-A291 WeakPolarHBondContact OG1-CB 3.36Å; T289-A291 PolarHBondContact OG1-N 2.79Å; A291-L565 HydrophobicContact CB-CD1 3.97Å
292	M	97.9	Very high	92.8	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.6	175.9	-174.9	-172.5	-174.3	0	0	108.7	V276 T277 V278 L309 A310 L328 Y347 W354	V276-M292 HydrophobicContact CG1-CE 3.4Å; V276-M292 HydrophobicContact CG1-CG 4.16Å; T277-M292 WeakPolarHBondContact O-CA 3.27Å; V278-M292 HydrophobicContact CG1-CB 4.49Å; V278-M292 HydrophobicContact CG1-CG 4.35Å; V278-M292 HydrophobicContact CG2-CE 4.3Å; V278-M292 HydrophobicContact CG2-CG 4.11Å; M292-L309 HydrophobicContact CB-CB 4.14Å; M292-L309 HydrophobicContact CE-CD1 3.64Å; M292-L309 HydrophobicContact CG-CB 3.84Å; M292-L309 HydrophobicContact CG-CD1 4.1Å; M292-L309 HydrophobicContact CG-CG 4.49Å; M292-L309 PolarHBondContact O-N 2.81Å; M292-L309 HydrophobicContact SD-CB 3.77Å; M292-L309 HydrophobicContact SD-CD1 3.96Å; M292-A310 WeakPolarHBondContact CB-O 3.36Å; M292-L328 HydrophobicContact CE-CD1 4.21Å; M292-L328 HydrophobicContact CE-CD2 4.14Å; M292-Y347 HydrophobicContact CE-CD1 3.64Å; M292-Y347 HydrophobicContact CE-CD2 4.31Å; M292-Y347 HydrophobicContact CE-CE1 3.75Å; M292-Y347 HydrophobicContact CE-CE2 4.43Å; M292-Y347 HydrophobicContact CE-CG 3.91Å; M292-Y347 HydrophobicContact SD-CD1 4.39Å; M292-Y347 HydrophobicContact SD-CD2 4Å; M292-Y347 HydrophobicContact SD-CE1 4.39Å; M292-Y347 HydrophobicContact SD-CE2 4.03Å; M292-Y347 HydrophobicContact SD-CG 4.18Å; M292-W354 HydrophobicContact CE-CZ2 4.22Å; M292-W354 HydrophobicContact SD-CH2 4.49Å; M292-W354 HydrophobicContact SD-CZ2 3.49Å; M292-W354 WeakPolarHBondContact SD-CZ2 3.42Å
293	R	97.3	Very high	92.2	Very high	41 Å²	41	64.8 Å²	64.8	16%	0.155	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.3	-179.4	-68	170.2	179.6	176.7	-3.2	110.6	V276 T277 W306 I307 E308 S563	V276-R293 CarbonylContact C-O 3.41Å; V276-R293 WeakPolarHBondContact CA-O 3.42Å; T277-R293 PolarHBondContact N-O 2.99Å; T277-R293 PolarHBondContact O-N 3.44Å; R293-W306 HydrophobicContact CB-CB 4.36Å; R293-W306 HydrophobicContact CB-CD2 4.3Å; R293-W306 HydrophobicContact CB-CE3 3.75Å; R293-W306 HydrophobicContact CB-CZ3 4.46Å; R293-I307 CarbonylContact C-O 3.6Å; R293-I307 VanDerWaalsContact CA-O 3.23Å; R293-I307 WeakPolarHBondContact CA-O 3.29Å; R293-E308 WeakPolarHBondContact CG-OE2 2.95Å; R293-E308 IonicContact CZ-OE1 3.45Å; R293-E308 IonicContact CZ-OE2 3.58Å; R293-E308 IonicContact NE-OE1 3.76Å; R293-E308 PolarHBondContact NE-OE1 3.11Å; R293-E308 IonicContact NE-OE2 3.23Å; R293-E308 PolarHBondContact NE-OE2 2.88Å; R293-E308 IonicContact NH2-OE1 2.75Å; R293-E308 PolarHBondContact NH2-OE1 3.03Å; R293-E308 IonicContact NH2-OE2 3Å; R293-S563 PolarHBondContact NH1-O 2.98Å
294	C	97.2	Very high	91.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	154.2	168.7	74	0	0	0	0	112.5	C274 I275 V276 W306 I307 L309 I575	C274-C294 HydrophobicContact CB-CB 4Å; I275-C294 CarbonylContact O-C 3.54Å; I275-C294 WeakPolarHBondContact O-CA 3.17Å; V276-C294 HydrophobicContact CG2-CB 3.99Å; C294-W306 VanDerWaalsContact C-CE3 3.44Å; C294-W306 CarbonylContact O-C 3.54Å; C294-W306 WeakPolarHBondContact O-CA 3.48Å; C294-I307 PolarHBondContact N-O 2.95Å; C294-I307 PolarHBondContact O-N 3.32Å; C294-L309 HydrophobicContact CB-CD1 3.81Å; C294-L309 HydrophobicContact CB-CG 4.34Å; C294-I575 HydrophobicContact CB-CD1 4.25Å
295	M	95.6	Very high	91.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.1	173.2	-179.6	-178.6	73.8	0	0	108.3	C274 I275 P297 Q304 W306 V544 T557 K558	C274-M295 CarbonylContact C-O 3.5Å; C274-M295 VanDerWaalsContact CA-O 3.3Å; C274-M295 WeakPolarHBondContact CA-O 3.34Å; I275-M295 HydrophobicContact CD1-CE 3.85Å; I275-M295 PolarHBondContact N-O 3.49Å; I275-M295 PolarHBondContact O-N 2.72Å; M295-P297 WeakPolarHBondContact O-CD 3.29Å; M295-Q304 HydrophobicContact CG-CB 4.31Å; M295-Q304 HydrophobicContact SD-CB 4.04Å; M295-W306 HydrophobicContact CB-CD2 4.1Å; M295-W306 HydrophobicContact CB-CE3 3.56Å; M295-W306 HydrophobicContact CB-CH2 3.98Å; M295-W306 HydrophobicContact CB-CZ2 4.5Å; M295-W306 HydrophobicContact CB-CZ3 3.5Å; M295-W306 VanDerWaalsContact CB-CZ3 3.5Å; M295-V544 HydrophobicContact CE-CB 4.29Å; M295-V544 HydrophobicContact CE-CG1 4.2Å; M295-V544 HydrophobicContact CE-CG2 3.99Å; M295-T557 HydrophobicContact CE-CG2 4.15Å; M295-K558 HydrophobicContact SD-CB 4.45Å; M295-K558 HydrophobicContact SD-CD 3.89Å; M295-K558 HydrophobicContact SD-CG 4.35Å
296	C	95.3	Very high	91.8	Very high	4 Å²	4	59 Å²	59	3%	0.027	28%	0.284	C	S	.	.			trans	-92	96.6	176	-49.7	0	0	0	0	109	C274 L298 Y299	C274-C296 PolarHBondContact SG-SG 3.21Å; C296-L298 PolarHBondContact O-N 3.17Å; C296-Y299 HydrophobicContact CB-CD1 3.73Å; C296-Y299 HydrophobicContact CB-CD2 3.56Å; C296-Y299 HydrophobicContact CB-CE1 3.8Å; C296-Y299 HydrophobicContact CB-CE2 3.62Å; C296-Y299 HydrophobicContact CB-CG 3.61Å; C296-Y299 WeakPolarHBondContact O-CB 3.04Å; C296-Y299 PolarHBondContact O-N 2.86Å
297	P	92.3	Very high	91.9	Very high	7 Å²	7	50.5 Å²	50.5	5%	0.045	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.9	-175.1	31.2	-39.2	0	0	0	113.5	E273 I275 M295 Y299 Q304 I525 Y530	E273-P297 WeakPolarHBondContact O-CD 2.98Å; I275-P297 HydrophobicContact CD1-CB 3.95Å; I275-P297 HydrophobicContact CD1-CG 3.99Å; I275-P297 HydrophobicContact CG1-CB 4.49Å; I275-P297 HydrophobicContact CG1-CG 3.99Å; M295-P297 WeakPolarHBondContact O-CD 3.29Å; P297-Y299 VanDerWaalsContact C-N 3.26Å; P297-Y299 PolarHBondContact O-N 3.2Å; P297-Q304 PolarHBondContact O-NE2 3.36Å; P297-I525 HydrophobicContact CG-CD1 3.87Å; P297-I525 HydrophobicContact CG-CG2 4.29Å; P297-Y530 HydrophobicContact CB-CD1 3.97Å; P297-Y530 HydrophobicContact CB-CE1 3.41Å; P297-Y530 VanDerWaalsContact CB-CE1 3.41Å; P297-Y530 HydrophobicContact CB-CE2 4.12Å; P297-Y530 VanDerWaalsContact CB-CZ 3.49Å; P297-Y530 HydrophobicContact CG-CD2 4.3Å; P297-Y530 HydrophobicContact CG-CE1 4.1Å; P297-Y530 HydrophobicContact CG-CE2 3.87Å
298	L	89.4	Confident	92	Very high	111 Å²	111	47.6 Å²	47.6	58%	0.581	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.4	177.3	-58.3	-179.6	0	0	0	113.1	C296 I525	C296-L298 PolarHBondContact O-N 3.17Å; L298-I525 HydrophobicContact CD1-CG2 4.22Å; L298-I525 HydrophobicContact CG-CG2 4.29Å
299	Y	85.5	Confident	92.1	Very high	70 Å²	70	47.1 Å²	47.1	28%	0.275	24%	0.237	S	C	.	.	S	Bend	trans	-72.7	159	172.7	-72.6	3	0	0	0	110.9	S272 C296 P297 Q304	S272-Y299 PolarHBondContact OG-OH 3.12Å; C296-Y299 HydrophobicContact CB-CD1 3.73Å; C296-Y299 HydrophobicContact CB-CD2 3.56Å; C296-Y299 HydrophobicContact CB-CE1 3.8Å; C296-Y299 HydrophobicContact CB-CE2 3.62Å; C296-Y299 HydrophobicContact CB-CG 3.61Å; C296-Y299 WeakPolarHBondContact O-CB 3.04Å; C296-Y299 PolarHBondContact O-N 2.86Å; P297-Y299 VanDerWaalsContact C-N 3.26Å; P297-Y299 PolarHBondContact O-N 3.2Å; Y299-Q304 PolarHBondContact O-NE2 3.03Å
300	D	83.3	Confident	92.1	Very high	84 Å²	84	47.3 Å²	47.3	45%	0.449	24%	0.24	S	C	.	.			trans	-47.3	135.5	168.5	-178.4	-90.7	0	0	0	110	N302 R303 Q304	D300-N302 PolarHBondContact O-N 2.9Å; D300-N302 WeakPolarHBondContact OD1-CB 3.46Å; D300-N302 PolarHBondContact OD1-N 3.48Å; D300-N302 PolarHBondContact OD1-ND2 2.67Å; D300-R303 HydrophobicContact CB-CG 4.45Å; D300-R303 WeakPolarHBondContact O-CA 3.48Å; D300-R303 WeakPolarHBondContact O-CB 3.46Å; D300-R303 PolarHBondContact O-N 2.9Å; D300-Q304 PolarHBondContact O-N 2.75Å
301	P	81.2	Confident	92.1	Very high	94 Å²	94	50.3 Å²	50.3	61%	0.61	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-51.3	-31.9	-178	-30.3	36.3	0	0	0	114.2	R303 Q304	P301-R303 PolarHBondContact O-N 3.26Å; P301-Q304 PolarHBondContact O-N 3.19Å
302	N	80.2	Confident	92.1	Very high	145 Å²	145	49.6 Å²	49.6	78%	0.775	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-73.1	-9.3	178	-54.6	-70	0	0	0	113.7	D300	D300-N302 PolarHBondContact O-N 2.9Å; D300-N302 WeakPolarHBondContact OD1-CB 3.46Å; D300-N302 PolarHBondContact OD1-N 3.48Å; D300-N302 PolarHBondContact OD1-ND2 2.67Å
303	R	81.7	Confident	92.1	Very high	168 Å²	168	54.3 Å²	54.3	63%	0.634	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-111.3	0.8	179.5	-64.2	-176.5	173.9	-176.9	-1.3	113.2	D300 P301 L305	D300-R303 HydrophobicContact CB-CG 4.45Å; D300-R303 WeakPolarHBondContact O-CA 3.48Å; D300-R303 WeakPolarHBondContact O-CB 3.46Å; D300-R303 PolarHBondContact O-N 2.9Å; P301-R303 PolarHBondContact O-N 3.26Å; R303-L305 PolarHBondContact O-N 3.21Å
304	Q	86.9	Confident	92	Very high	21 Å²	21	55 Å²	55	10%	0.098	29%	0.291	C	S	.	.			trans	-76.1	67.2	179.9	-68.1	179.3	-1.4	0	0	112	M295 P297 Y299 D300 P301 T557 K558	M295-Q304 HydrophobicContact CG-CB 4.31Å; M295-Q304 HydrophobicContact SD-CB 4.04Å; P297-Q304 PolarHBondContact O-NE2 3.36Å; Y299-Q304 PolarHBondContact O-NE2 3.03Å; D300-Q304 PolarHBondContact O-N 2.75Å; P301-Q304 PolarHBondContact O-N 3.19Å; Q304-T557 VanDerWaalsContact OE1-CG2 3.23Å; Q304-T557 PolarHBondContact OE1-O 3.27Å; Q304-T557 VanDerWaalsContact OE1-O 3.1Å; Q304-K558 PolarHBondContact O-NZ 2.97Å
305	L	90.7	Very high	92.1	Very high	78 Å²	78	56.8 Å²	56.8	41%	0.408	30%	0.302	S	S	.	.			trans	-94.5	149.4	176	-60.2	175.9	0	0	0	110.4	R303 L589	R303-L305 PolarHBondContact O-N 3.21Å; L305-L589 HydrophobicContact CD1-CB 4.33Å; L305-L589 HydrophobicContact CD1-CD2 4.24Å
306	W	94.9	Very high	92.2	Very high	27 Å²	27	56.8 Å²	56.8	10%	0.102	30%	0.302	C	S	.	.			trans	-73.6	130.8	166.2	-71.5	121.7	0	0	0	108.9	I275 T277 R293 C294 M295 Y543 V544 K558 D564	I275-W306 HydrophobicContact CG2-CH2 4.29Å; T277-W306 HydrophobicContact CG2-CH2 3.72Å; T277-W306 HydrophobicContact CG2-CZ2 4.39Å; T277-W306 HydrophobicContact CG2-CZ3 4.11Å; R293-W306 HydrophobicContact CB-CB 4.36Å; R293-W306 HydrophobicContact CB-CD2 4.3Å; R293-W306 HydrophobicContact CB-CE3 3.75Å; R293-W306 HydrophobicContact CB-CZ3 4.46Å; C294-W306 VanDerWaalsContact C-CE3 3.44Å; C294-W306 CarbonylContact O-C 3.54Å; C294-W306 WeakPolarHBondContact O-CA 3.48Å; M295-W306 HydrophobicContact CB-CD2 4.1Å; M295-W306 HydrophobicContact CB-CE3 3.56Å; M295-W306 HydrophobicContact CB-CH2 3.98Å; M295-W306 HydrophobicContact CB-CZ2 4.5Å; M295-W306 HydrophobicContact CB-CZ3 3.5Å; M295-W306 VanDerWaalsContact CB-CZ3 3.5Å; W306-Y543 HydrophobicContact CH2-CE1 4.37Å; W306-Y543 AromaticContact CZ2-CD1 3.7Å; W306-Y543 HydrophobicContact CZ2-CD1 3.7Å; W306-Y543 AromaticContact CZ2-CE1 3.52Å; W306-Y543 HydrophobicContact CZ2-CE1 3.52Å; W306-V544 HydrophobicContact CZ2-CG2 4.32Å; W306-K558 HydrophobicContact CZ2-CD 4.18Å; W306-D564 VanDerWaalsContact CD1-OD1 3.32Å; W306-D564 PolarHBondContact NE1-OD1 2.81Å
307	I	95.4	Very high	92.3	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.1	173.9	-56.2	164.7	0	0	0	106.3	R293 C294 L580 L583 Q584 L589	R293-I307 CarbonylContact C-O 3.6Å; R293-I307 VanDerWaalsContact CA-O 3.23Å; R293-I307 WeakPolarHBondContact CA-O 3.29Å; C294-I307 PolarHBondContact N-O 2.95Å; C294-I307 PolarHBondContact O-N 3.32Å; I307-L580 HydrophobicContact CD1-CD2 3.96Å; I307-L583 HydrophobicContact CG2-CB 3.7Å; I307-L583 HydrophobicContact CG2-CD1 4.33Å; I307-Q584 HydrophobicContact CD1-CG 3.59Å; I307-Q584 HydrophobicContact CG1-CG 3.83Å; I307-L589 HydrophobicContact CB-CD1 4.43Å; I307-L589 HydrophobicContact CG1-CD1 3.94Å
308	E	97.4	Very high	92.5	Very high	71 Å²	71	59 Å²	59	33%	0.332	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.5	176.8	-58.4	-69.7	173.3	0	0	109.7	R293 Q587	R293-E308 WeakPolarHBondContact CG-OE2 2.95Å; R293-E308 IonicContact CZ-OE1 3.45Å; R293-E308 IonicContact CZ-OE2 3.58Å; R293-E308 IonicContact NE-OE1 3.76Å; R293-E308 PolarHBondContact NE-OE1 3.11Å; R293-E308 IonicContact NE-OE2 3.23Å; R293-E308 PolarHBondContact NE-OE2 2.88Å; R293-E308 IonicContact NH2-OE1 2.75Å; R293-E308 PolarHBondContact NH2-OE1 3.03Å; R293-E308 IonicContact NH2-OE2 3Å; E308-Q587 PolarHBondContact O-NE2 3.29Å
309	L	98.2	Very high	92.9	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	172.4	172.3	-60.8	-178.7	0	0	0	109.2	V276 M292 C294 Y347 I575 L583	V276-L309 HydrophobicContact CG1-CD1 4.5Å; M292-L309 HydrophobicContact CB-CB 4.14Å; M292-L309 HydrophobicContact CE-CD1 3.64Å; M292-L309 HydrophobicContact CG-CB 3.84Å; M292-L309 HydrophobicContact CG-CD1 4.1Å; M292-L309 HydrophobicContact CG-CG 4.49Å; M292-L309 PolarHBondContact O-N 2.81Å; M292-L309 HydrophobicContact SD-CB 3.77Å; M292-L309 HydrophobicContact SD-CD1 3.96Å; C294-L309 HydrophobicContact CB-CD1 3.81Å; C294-L309 HydrophobicContact CB-CG 4.34Å; L309-Y347 HydrophobicContact CD1-CE1 4.35Å; L309-I575 HydrophobicContact CD1-CD1 4.3Å; L309-L583 HydrophobicContact CD2-CD1 3.62Å
310	A	98.2	Very high	93.4	Very high	21 Å²	21	51.4 Å²	51.4	17%	0.174	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-58	128.9	174.8	0	0	0	0	0	110.2	M292 Y347 N352 W354	M292-A310 WeakPolarHBondContact CB-O 3.36Å; A310-Y347 HydrophobicContact CB-CE2 4.24Å; A310-N352 VanDerWaalsContact CB-O 3.23Å; A310-N352 WeakPolarHBondContact CB-O 3.37Å; A310-N352 PolarHBondContact N-OD1 2.84Å; A310-W354 PolarHBondContact O-NE1 3.03Å
311	P	98.3	Very high	94.1	Very high	79 Å²	79	48.3 Å²	48.3	51%	0.513	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-71	160.1	-179.7	31.5	-35.9	0	0	0	110.9	A290 W354	A290-P311 HydrophobicContact CB-CB 4.16Å; A290-P311 CarbonylContact O-C 3.52Å; A290-P311 VanDerWaalsContact O-CA 3.25Å; A290-P311 WeakPolarHBondContact O-CA 3.42Å; A290-P311 VanDerWaalsContact O-CB 3.27Å; A290-P311 WeakPolarHBondContact O-CB 3.24Å; P311-W354 PolarHBondContact O-NE1 2.8Å
312	L	98.1	Very high	94.9	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.037	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-56	156.6	168.1	-72.3	168.7	0	0	0	111.2	V278 A290 M314 R316 V330 W354	V278-L312 HydrophobicContact CG1-CD1 3.75Å; V278-L312 HydrophobicContact CG1-CD2 4.17Å; V278-L312 HydrophobicContact CG1-CG 3.84Å; A290-L312 HydrophobicContact CB-CB 4.02Å; A290-L312 WeakPolarHBondContact CB-O 3.47Å; A290-L312 PolarHBondContact O-N 3.01Å; L312-M314 WeakPolarHBondContact CB-O 3.32Å; L312-M314 PolarHBondContact O-N 2.8Å; L312-R316 HydrophobicContact CD1-CG 3.7Å; L312-V330 HydrophobicContact CD1-CG1 4.43Å; L312-V330 HydrophobicContact CD2-CB 4.15Å; L312-V330 HydrophobicContact CD2-CG1 4.06Å; L312-V330 HydrophobicContact CD2-CG2 4.18Å; L312-W354 HydrophobicContact CD2-CD2 4.07Å; L312-W354 HydrophobicContact CD2-CE3 4Å; L312-W354 HydrophobicContact CD2-CH2 3.43Å; L312-W354 VanDerWaalsContact CD2-CH2 3.43Å; L312-W354 HydrophobicContact CD2-CZ2 3.51Å; L312-W354 HydrophobicContact CD2-CZ3 3.7Å; L312-W354 HydrophobicContact CG-CH2 4.38Å; L312-W354 HydrophobicContact CG-CZ2 4.07Å
313	S	97.1	Very high	95.7	Very high	100 Å²	100	39.6 Å²	39.6	70%	0.699	21%	0.213	S	C	*	.	S	Bend	trans	-64.2	-25	175.7	-56.3	0	0	0	0	112.9	E345	S313-E345 WeakPolarHBondContact CB-OE2 3.37Å; S313-E345 PolarHBondContact N-OE1 2.98Å; S313-E345 PolarHBondContact N-OE2 3.25Å; S313-E345 PolarHBondContact OG-OE2 2.8Å
314	M	96.2	Very high	96.5	Very high	56 Å²	56	31.8 Å²	31.8	28%	0.276	18%	0.184	S	C	.	.	S	Bend	trans	-145.9	147.7	176.4	64.1	-174.9	-64.8	0	0	112.4	L312 D335 L341	L312-M314 WeakPolarHBondContact CB-O 3.32Å; L312-M314 PolarHBondContact O-N 2.8Å; M314-D335 HydrophobicContact CE-CB 3.69Å; M314-L341 HydrophobicContact CE-CD1 3.67Å; M314-L341 HydrophobicContact CE-CD2 3.86Å; M314-L341 HydrophobicContact CE-CG 4.43Å; M314-L341 HydrophobicContact SD-CD1 4.06Å
315	P	97.8	Very high	96.9	Very high	36 Å²	36	31.5 Å²	31.5	23%	0.234	18%	0.183	C	C	.	.			trans	-62.1	137.3	173.2	-23.8	35.2	0	0	0	112.5	P288 T289 A290 E336	P288-P315 HydrophobicContact CB-CB 3.97Å; T289-P315 WeakPolarHBondContact O-CA 3.47Å; A290-P315 HydrophobicContact CB-CG 4.19Å; P315-E336 HydrophobicContact CB-CG 4.11Å; P315-E336 HydrophobicContact CG-CG 4.41Å
316	R	97.8	Very high	97.2	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	17%	0.168	C	C	.	.			trans	-155.1	149.1	178	58.9	179.1	84.3	-155.7	9.8	114.1	G280 T289 L312 H319 G332 Q334 L341 S343 E345	G280-R316 PolarHBondContact N-O 2.78Å; T289-R316 PolarHBondContact O-N 3.43Å; L312-R316 HydrophobicContact CD1-CG 3.7Å; R316-H319 HydrophobicContact CG-CB 4.32Å; R316-H319 PolarHBondContact O-ND1 2.9Å; R316-G332 PolarHBondContact NH1-O 3.14Å; R316-Q334 CarbonylContact C-O 3.6Å; R316-Q334 WeakPolarHBondContact CA-O 3.39Å; R316-L341 HydrophobicContact CB-CD1 4.24Å; R316-S343 PolarHBondContact NH1-O 3.39Å; R316-S343 PolarHBondContact NH1-OG 2.61Å; R316-E345 IonicContact CZ-OE1 4Å; R316-E345 IonicContact NE-OE1 3.78Å; R316-E345 IonicContact NH2-OE1 3.86Å; R316-E345 PolarHBondContact NH2-OE1 3.07Å
317	I	97.1	Very high	97.4	Very high	22 Å²	22	29.7 Å²	29.7	11%	0.113	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-124.1	160.9	174.9	56.7	172.9	0	0	0	111.5	G280 E281 P288 H319 G333 Q334	G280-I317 WeakPolarHBondContact O-CG2 3.37Å; E281-I317 HydrophobicContact CB-CG2 4.17Å; P288-I317 HydrophobicContact CB-CG2 4.03Å; P288-I317 HydrophobicContact CG-CD1 4.42Å; P288-I317 HydrophobicContact CG-CG1 4.43Å; P288-I317 HydrophobicContact CG-CG2 4.16Å; I317-H319 PolarHBondContact O-N 3.01Å; I317-H319 VanDerWaalsContact O-N 3.09Å; I317-G333 CarbonylContact O-C 3.6Å; I317-G333 WeakPolarHBondContact O-CA 3.36Å; I317-Q334 HydrophobicContact CG1-CB 4.08Å; I317-Q334 PolarHBondContact N-O 3.5Å; I317-Q334 PolarHBondContact O-N 3.4Å
318	N	96.4	Very high	97.5	Very high	36 Å²	36	29.6 Å²	29.6	19%	0.193	17%	0.174	C	C	.	.	S	Bend	trans	54.8	29.5	176.2	-54.6	-28.8	0	0	0	113.7	Q334 H365 N366	N318-Q334 PolarHBondContact ND2-OE1 3.39Å; N318-H365 HydrophobicContact CB-CB 4.16Å; N318-H365 WeakPolarHBondContact O-CA 3.43Å; N318-N366 WeakPolarHBondContact CB-OD1 3.41Å; N318-N366 VanDerWaalsContact CG-OD1 3.31Å; N318-N366 PolarHBondContact O-N 3.15Å
319	H	97.8	Very high	97.6	Very high	17 Å²	17	26.4 Å²	26.4	8%	0.079	16%	0.16	C	C	.	.			trans	-88	159.7	178.2	57.4	-87.6	0	0	0	110.4	V278 R316 I317 V330 F331 G332	V278-H319 PolarHBondContact O-CE1 3.06Å; V278-H319 VanDerWaalsContact O-CE1 3.25Å; V278-H319 PolarHBondContact O-NE2 2.98Å; R316-H319 HydrophobicContact CG-CB 4.32Å; R316-H319 PolarHBondContact O-ND1 2.9Å; I317-H319 PolarHBondContact O-N 3.01Å; I317-H319 VanDerWaalsContact O-N 3.09Å; H319-V330 HydrophobicContact CB-CG1 4.41Å; H319-F331 WeakPolarHBondContact CB-O 3.43Å; H319-G332 WeakPolarHBondContact CB-O 3.44Å
320	G	97.4	Very high	97.6	Very high	4 Å²	4	25.9 Å²	25.9	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.3	169	0	0	0	0	0	110.2	V330 F331 F367	G320-V330 VanDerWaalsContact O-CA 3.32Å; G320-V330 WeakPolarHBondContact O-CA 3.45Å; G320-F331 PolarHBondContact N-O 2.95Å; G320-F331 PolarHBondContact O-N 3.41Å; G320-F367 VanDerWaalsContact N-CZ 3.29Å
321	V	97.9	Very high	97.6	Very high	18 Å²	18	24.9 Å²	24.9	11%	0.109	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.7	170.1	65.2	0	0	0	0	110.6	V278 L328 F329 V330 C570 A571	V278-V321 HydrophobicContact CG2-CG2 4.06Å; V321-L328 HydrophobicContact CG2-CD1 4.1Å; V321-L328 HydrophobicContact CG2-CD2 3.75Å; V321-L328 HydrophobicContact CG2-CG 3.93Å; V321-F329 VanDerWaalsContact CA-O 3.29Å; V321-F329 WeakPolarHBondContact CA-O 3.46Å; V321-V330 HydrophobicContact CB-CG2 4.13Å; V321-V330 HydrophobicContact CG2-CG2 3.8Å; V321-C570 VanDerWaalsContact CG1-N 3.27Å; V321-A571 HydrophobicContact CG2-CB 4.37Å
322	L	97.6	Very high	97.6	Very high	18 Å²	18	21.1 Å²	21.1	9%	0.094	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	169.2	168.4	58.8	72.7	0	0	0	111.4	A324 L328 F329 I369 E371 L376	L322-A324 HydrophobicContact CD1-CB 3.91Å; L322-L328 WeakPolarHBondContact O-CA 3.21Å; L322-F329 HydrophobicContact CD1-CB 4.17Å; L322-F329 HydrophobicContact CD1-CD2 4.18Å; L322-F329 PolarHBondContact N-O 2.95Å; L322-F329 VanDerWaalsContact N-O 3.13Å; L322-F329 PolarHBondContact O-N 3.24Å; L322-I369 HydrophobicContact CD2-CB 4.33Å; L322-I369 HydrophobicContact CD2-CD1 3.78Å; L322-I369 HydrophobicContact CD2-CG1 3.51Å; L322-I369 HydrophobicContact CD2-CG2 4.22Å; L322-I369 HydrophobicContact CG-CD1 3.89Å; L322-I369 HydrophobicContact CG-CG1 4.17Å; L322-E371 HydrophobicContact CD1-CB 4.25Å; L322-E371 HydrophobicContact CD2-CB 3.85Å; L322-L376 HydrophobicContact CD1-CD1 4.27Å; L322-L376 HydrophobicContact CD1-CD2 3.75Å; L322-L376 HydrophobicContact CD2-CD2 4.36Å
323	S	97.8	Very high	97.6	Very high	38 Å²	38	20.8 Å²	20.8	27%	0.266	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.8	166.3	-176.9	0	0	0	0	110.3	F327 A572 L573	S323-F327 CarbonylContact C-O 3.48Å; S323-F327 WeakPolarHBondContact CA-O 3.5Å; S323-F327 WeakPolarHBondContact CB-O 3.44Å; S323-F327 PolarHBondContact OG-O 2.98Å; S323-A572 WeakPolarHBondContact CB-O 3.36Å; S323-A572 PolarHBondContact OG-O 3.5Å; S323-L573 WeakPolarHBondContact OG-CD1 3.44Å
324	A	97.6	Very high	97.6	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.033	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	137.9	177	0	0	0	0	0	108.5	L322 G326 F327 F329 E371 L376	L322-A324 HydrophobicContact CD1-CB 3.91Å; A324-G326 PolarHBondContact O-N 3.23Å; A324-G326 VanDerWaalsContact O-N 3.13Å; A324-F327 PolarHBondContact N-O 3.46Å; A324-F327 PolarHBondContact O-N 2.9Å; A324-F329 HydrophobicContact CB-CD2 3.99Å; A324-F329 HydrophobicContact CB-CE2 3.79Å; A324-E371 HydrophobicContact CB-CB 4.49Å; A324-E371 HydrophobicContact CB-CG 3.66Å; A324-L376 HydrophobicContact CB-CD2 3.76Å
325	E	96.1	Very high	97.6	Very high	16 Å²	16	15.6 Å²	15.6	8%	0.075	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	38	176.8	-56.6	-59.4	124.3	0	0	114.6	H148 Y151 F327 I396 Y397	H148-E325 IonicContact CE1-OE1 2.76Å; H148-E325 PolarHBondContact CE1-OE1 2.92Å; H148-E325 IonicContact CG-OE1 3.98Å; H148-E325 IonicContact ND1-OE1 3.58Å; H148-E325 PolarHBondContact ND1-OE1 3.36Å; H148-E325 IonicContact ND1-OE2 3.45Å; Y151-E325 WeakPolarHBondContact CB-OE2 3.21Å; Y151-E325 WeakPolarHBondContact CD1-OE2 3.18Å; Y151-E325 HydrophobicContact CD2-CB 4.34Å; Y151-E325 HydrophobicContact CE2-CB 4.47Å; Y151-E325 HydrophobicContact CG-CB 4.45Å; Y151-E325 VanDerWaalsContact CZ-C 3.47Å; E325-F327 HydrophobicContact CB-CD2 4.19Å; E325-F327 WeakPolarHBondContact O-CD2 3.11Å; E325-F327 VanDerWaalsContact O-CE2 3.27Å; E325-F327 WeakPolarHBondContact O-CE2 3.29Å; E325-F327 PolarHBondContact O-N 2.8Å; E325-I396 HydrophobicContact CB-CD1 4Å; E325-I396 HydrophobicContact CG-CD1 3.08Å; E325-I396 HydrophobicContact CG-CG1 4.44Å; E325-Y397 HydrophobicContact CG-CE1 4.45Å; E325-Y397 WeakPolarHBondContact CG-OH 3.27Å; E325-Y397 PolarHBondContact OE2-OH 3.41Å
326	G	96.3	Very high	97.4	Very high	8 Å²	8	19.3 Å²	19.3	8%	0.082	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	4.8	-178.4	0	0	0	0	0	115.1	Y151 A324 P349	Y151-G326 VanDerWaalsContact CE2-N 3.35Å; Y151-G326 PolarHBondContact OH-N 2.88Å; Y151-G326 VanDerWaalsContact OH-N 3.1Å; A324-G326 PolarHBondContact O-N 3.23Å; A324-G326 VanDerWaalsContact O-N 3.13Å; G326-P349 WeakPolarHBondContact O-CD 3.45Å; G326-P349 VanDerWaalsContact O-CG 3.31Å; G326-P349 WeakPolarHBondContact O-CG 3.42Å
327	F	98.3	Very high	97.3	Very high	58 Å²	58	25.7 Å²	25.7	25%	0.254	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	170.8	173.2	-58.5	-77.6	0	0	0	110.7	S323 A324 E325 F329 K346 D348	S323-F327 CarbonylContact C-O 3.48Å; S323-F327 WeakPolarHBondContact CA-O 3.5Å; S323-F327 WeakPolarHBondContact CB-O 3.44Å; S323-F327 PolarHBondContact OG-O 2.98Å; A324-F327 PolarHBondContact N-O 3.46Å; A324-F327 PolarHBondContact O-N 2.9Å; E325-F327 HydrophobicContact CB-CD2 4.19Å; E325-F327 WeakPolarHBondContact O-CD2 3.11Å; E325-F327 VanDerWaalsContact O-CE2 3.27Å; E325-F327 WeakPolarHBondContact O-CE2 3.29Å; E325-F327 PolarHBondContact O-N 2.8Å; F327-F329 HydrophobicContact CB-CD2 4.42Å; F327-F329 HydrophobicContact CB-CE2 3.73Å; F327-F329 HydrophobicContact CB-CZ 4.21Å; F327-K346 HydrophobicContact CB-CD 4.13Å; F327-K346 HydrophobicContact CB-CG 4.01Å; F327-K346 HydrophobicContact CD1-CD 4.13Å; F327-K346 HydrophobicContact CD1-CG 4.44Å; F327-K346 HydrophobicContact CG-CD 3.99Å; F327-K346 HydrophobicContact CG-CG 4.33Å; F327-D348 HydrophobicContact CD1-CB 4.25Å; F327-D348 HydrophobicContact CE1-CB 4.18Å
328	L	98.4	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.7	171	-177.4	143.4	0	0	0	109.9	V276 V278 M292 V321 L322 V330 K346 Y347 W354 A571 L573	V276-L328 HydrophobicContact CB-CD1 4.18Å; V276-L328 HydrophobicContact CG1-CD1 3.87Å; V278-L328 HydrophobicContact CG2-CD1 4.28Å; V278-L328 HydrophobicContact CG2-CD2 3.98Å; M292-L328 HydrophobicContact CE-CD1 4.21Å; M292-L328 HydrophobicContact CE-CD2 4.14Å; V321-L328 HydrophobicContact CG2-CD1 4.1Å; V321-L328 HydrophobicContact CG2-CD2 3.75Å; V321-L328 HydrophobicContact CG2-CG 3.93Å; L322-L328 WeakPolarHBondContact O-CA 3.21Å; L328-V330 HydrophobicContact CD2-CG2 3.93Å; L328-K346 CarbonylContact O-C 3.48Å; L328-K346 WeakPolarHBondContact O-CA 3.39Å; L328-Y347 HydrophobicContact CB-CD1 4.39Å; L328-Y347 PolarHBondContact N-O 3.38Å; L328-Y347 PolarHBondContact O-N 2.99Å; L328-W354 HydrophobicContact CD2-CH2 3.43Å; L328-W354 VanDerWaalsContact CD2-CH2 3.43Å; L328-W354 HydrophobicContact CD2-CZ2 4.27Å; L328-W354 HydrophobicContact CD2-CZ3 4.11Å; L328-A571 HydrophobicContact CD1-CB 3.81Å; L328-L573 HydrophobicContact CB-CD1 4.49Å; L328-L573 HydrophobicContact CB-CD2 4.33Å
329	F	98.7	Very high	97.1	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136	-174.4	-67.9	-97.1	0	0	0	109.8	V321 L322 A324 F327 F331 K346 L357 L376 Y394 I396	V321-F329 VanDerWaalsContact CA-O 3.29Å; V321-F329 WeakPolarHBondContact CA-O 3.46Å; L322-F329 HydrophobicContact CD1-CB 4.17Å; L322-F329 HydrophobicContact CD1-CD2 4.18Å; L322-F329 PolarHBondContact N-O 2.95Å; L322-F329 VanDerWaalsContact N-O 3.13Å; L322-F329 PolarHBondContact O-N 3.24Å; A324-F329 HydrophobicContact CB-CD2 3.99Å; A324-F329 HydrophobicContact CB-CE2 3.79Å; F327-F329 HydrophobicContact CB-CD2 4.42Å; F327-F329 HydrophobicContact CB-CE2 3.73Å; F327-F329 HydrophobicContact CB-CZ 4.21Å; F329-F331 HydrophobicContact CB-CE2 4.01Å; F329-F331 HydrophobicContact CD1-CE2 4.29Å; F329-K346 HydrophobicContact CD1-CB 4.27Å; F329-K346 HydrophobicContact CD1-CG 4.18Å; F329-K346 HydrophobicContact CE1-CB 4.13Å; F329-K346 HydrophobicContact CE1-CD 3.81Å; F329-K346 HydrophobicContact CE1-CG 3.75Å; F329-K346 HydrophobicContact CE2-CG 4.44Å; F329-K346 HydrophobicContact CZ-CD 3.75Å; F329-K346 HydrophobicContact CZ-CG 3.91Å; F329-L357 HydrophobicContact CD1-CD1 3.61Å; F329-L357 HydrophobicContact CE1-CD1 4.08Å; F329-L376 HydrophobicContact CB-CD1 3.89Å; F329-L376 HydrophobicContact CD1-CD1 3.67Å; F329-L376 HydrophobicContact CD2-CD1 4.04Å; F329-L376 HydrophobicContact CE1-CD1 4.18Å; F329-L376 HydrophobicContact CG-CD1 3.59Å; F329-Y394 HydrophobicContact CE1-CE1 4.43Å; F329-I396 HydrophobicContact CE1-CG2 3.88Å; F329-I396 HydrophobicContact CE2-CG2 4.26Å; F329-I396 HydrophobicContact CZ-CB 4.17Å; F329-I396 HydrophobicContact CZ-CG2 3.63Å
330	V	98.6	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.6	176.9	169.5	0	0	0	0	109.4	V278 L312 H319 G320 V321 L328 G344 E345 W354	V278-V330 HydrophobicContact CG1-CG2 4.09Å; L312-V330 HydrophobicContact CD1-CG1 4.43Å; L312-V330 HydrophobicContact CD2-CB 4.15Å; L312-V330 HydrophobicContact CD2-CG1 4.06Å; L312-V330 HydrophobicContact CD2-CG2 4.18Å; H319-V330 HydrophobicContact CB-CG1 4.41Å; G320-V330 VanDerWaalsContact O-CA 3.32Å; G320-V330 WeakPolarHBondContact O-CA 3.45Å; V321-V330 HydrophobicContact CB-CG2 4.13Å; V321-V330 HydrophobicContact CG2-CG2 3.8Å; L328-V330 HydrophobicContact CD2-CG2 3.93Å; V330-G344 CarbonylContact O-C 3.46Å; V330-G344 WeakPolarHBondContact O-CA 3.4Å; V330-E345 PolarHBondContact N-O 2.81Å; V330-E345 PolarHBondContact O-N 3.04Å; V330-W354 HydrophobicContact CB-CH2 4.32Å; V330-W354 HydrophobicContact CB-CZ3 4.16Å; V330-W354 HydrophobicContact CG2-CH2 3.65Å; V330-W354 HydrophobicContact CG2-CZ3 3.95Å
331	F	98.5	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148	178.3	-70.2	-81.5	0	0	0	112.3	H319 G320 F329 L357 M360 F367 I369 L376 I378 Y394 W401	H319-F331 WeakPolarHBondContact CB-O 3.43Å; G320-F331 PolarHBondContact N-O 2.95Å; G320-F331 PolarHBondContact O-N 3.41Å; F329-F331 HydrophobicContact CB-CE2 4.01Å; F329-F331 HydrophobicContact CD1-CE2 4.29Å; F331-L357 HydrophobicContact CE1-CB 4.2Å; F331-L357 HydrophobicContact CE1-CD1 3.91Å; F331-L357 HydrophobicContact CE2-CD1 4.16Å; F331-L357 HydrophobicContact CZ-CB 4.45Å; F331-L357 HydrophobicContact CZ-CD1 3.44Å; F331-L357 VanDerWaalsContact CZ-CD1 3.44Å; F331-M360 HydrophobicContact CB-CE 4.32Å; F331-M360 HydrophobicContact CB-SD 3.94Å; F331-M360 HydrophobicContact CD1-CG 4.14Å; F331-F367 HydrophobicContact CB-CZ 4.15Å; F331-F367 VanDerWaalsContact O-CZ 3.23Å; F331-F367 WeakPolarHBondContact O-CZ 3.43Å; F331-I369 HydrophobicContact CD2-CD1 3.95Å; F331-L376 HydrophobicContact CE2-CD1 3.95Å; F331-I378 HydrophobicContact CB-CD1 4.46Å; F331-I378 HydrophobicContact CD2-CD1 4.42Å; F331-Y394 HydrophobicContact CZ-CD1 4.32Å; F331-W401 HydrophobicContact CD1-CH2 4.24Å; F331-W401 AromaticContact CD1-CZ2 3.95Å; F331-W401 HydrophobicContact CD1-CZ2 3.95Å; F331-W401 HydrophobicContact CE1-CH2 4.03Å; F331-W401 AromaticContact CE1-CZ2 3.49Å; F331-W401 HydrophobicContact CE1-CZ2 3.49Å; F331-W401 VanDerWaalsContact CE1-CZ2 3.49Å; F331-W401 HydrophobicContact CZ-CH2 4.22Å; F331-W401 AromaticContact CZ-CZ2 3.93Å; F331-W401 HydrophobicContact CZ-CZ2 3.93Å
332	G	98.2	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.			trans	57.2	-143.5	170.5	0	0	0	0	0	114	R316 H319 L341 S343	R316-G332 PolarHBondContact NH1-O 3.14Å; H319-G332 WeakPolarHBondContact CB-O 3.44Å; G332-L341 WeakPolarHBondContact CA-O 3.22Å; G332-S343 PolarHBondContact N-O 2.88Å
333	G	97.9	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.			trans	90.8	-163.3	-172.4	0	0	0	0	0	112.6	I317 L341 R364	I317-G333 CarbonylContact O-C 3.6Å; I317-G333 WeakPolarHBondContact O-CA 3.36Å; G333-L341 PolarHBondContact O-N 2.99Å; G333-R364 PolarHBondContact N-O 2.84Å
334	Q	97.3	Very high	97.2	Very high	30 Å²	30	37.9 Å²	37.9	14%	0.14	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-123.7	138.4	177.3	-62.9	176	-69.4	0	0	110.4	R316 I317 N318 Q339 H365	R316-Q334 CarbonylContact C-O 3.6Å; R316-Q334 WeakPolarHBondContact CA-O 3.39Å; I317-Q334 HydrophobicContact CG1-CB 4.08Å; I317-Q334 PolarHBondContact N-O 3.5Å; I317-Q334 PolarHBondContact O-N 3.4Å; N318-Q334 PolarHBondContact ND2-OE1 3.39Å; Q334-Q339 WeakPolarHBondContact CA-O 3.4Å; Q334-H365 HydrophobicContact CG-CB 3.79Å; Q334-H365 PolarHBondContact NE2-CE1 3.24Å; Q334-H365 PolarHBondContact NE2-NE2 3.14Å; Q334-H365 PolarHBondContact OE1-CD2 2.95Å; Q334-H365 VanDerWaalsContact OE1-CD2 3.32Å
335	D	96	Very high	97.3	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.091	19%	0.193	C	C	.	.			trans	-81.1	-173.3	174.4	76.2	-6.5	0	0	0	112.6	M314 N337 K338 Q339 L341	M314-D335 HydrophobicContact CE-CB 3.69Å; D335-N337 PolarHBondContact O-N 2.98Å; D335-N337 VanDerWaalsContact OD1-C 3.32Å; D335-N337 WeakPolarHBondContact OD1-CA 3.49Å; D335-N337 WeakPolarHBondContact OD1-CB 3.47Å; D335-N337 PolarHBondContact OD1-N 3.05Å; D335-K338 PolarHBondContact O-N 3.26Å; D335-K338 PolarHBondContact OD1-N 2.8Å; D335-Q339 PolarHBondContact N-O 3.24Å; D335-Q339 WeakPolarHBondContact OD1-CB 3.37Å; D335-Q339 PolarHBondContact OD1-N 3.38Å; D335-L341 HydrophobicContact CB-CD1 4.28Å; D335-L341 HydrophobicContact CB-CD2 4.3Å
336	E	94.5	Very high	97.4	Very high	114 Å²	114	39.9 Å²	39.9	53%	0.533	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.4	176.5	-62.4	-170.4	166.2	0	0	113.9	P288 P315 K338	P288-E336 HydrophobicContact CB-CG 4.19Å; P288-E336 HydrophobicContact CG-CG 4.3Å; P315-E336 HydrophobicContact CB-CG 4.11Å; P315-E336 HydrophobicContact CG-CG 4.41Å; E336-K338 VanDerWaalsContact C-N 3.26Å; E336-K338 PolarHBondContact O-N 3.41Å
337	N	94.8	Very high	97.5	Very high	135 Å²	135	39.6 Å²	39.6	72%	0.722	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	4.1	177.4	-59.1	-52.7	0	0	0	112.6	D335 Q339	D335-N337 PolarHBondContact O-N 2.98Å; D335-N337 VanDerWaalsContact OD1-C 3.32Å; D335-N337 WeakPolarHBondContact OD1-CA 3.49Å; D335-N337 WeakPolarHBondContact OD1-CB 3.47Å; D335-N337 PolarHBondContact OD1-N 3.05Å; N337-Q339 PolarHBondContact O-N 3.23Å
338	K	93.8	Very high	97.5	Very high	167 Å²	167	38.7 Å²	38.7	73%	0.726	20%	0.195	S	C	*	.			trans	62.6	19.8	-173.1	-52.2	179.4	179.1	177.9	0	113.6	D335 E336	D335-K338 PolarHBondContact O-N 3.26Å; D335-K338 PolarHBondContact OD1-N 2.8Å; E336-K338 VanDerWaalsContact C-N 3.26Å; E336-K338 PolarHBondContact O-N 3.41Å
339	Q	96.5	Very high	97.4	Very high	124 Å²	124	38.9 Å²	38.9	58%	0.579	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-73	127.6	173.2	-175	174.2	13.5	0	0	109	Q334 D335 N337	Q334-Q339 WeakPolarHBondContact CA-O 3.4Å; D335-Q339 PolarHBondContact N-O 3.24Å; D335-Q339 WeakPolarHBondContact OD1-CB 3.37Å; D335-Q339 PolarHBondContact OD1-N 3.38Å; N337-Q339 PolarHBondContact O-N 3.23Å
340	T	97.9	Very high	97.3	Very high	21 Å²	21	41.5 Å²	41.5	13%	0.129	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-69.2	133.1	173.6	-48.9	0	0	0	0	110.1	A363 H365 D383	T340-A363 HydrophobicContact CG2-CB 3.99Å; T340-H365 HydrophobicContact CG2-CB 4.34Å; T340-H365 WeakPolarHBondContact CG2-ND1 3.21Å; T340-H365 PolarHBondContact OG1-ND1 2.97Å; T340-D383 VanDerWaalsContact CB-O 3.25Å; T340-D383 WeakPolarHBondContact CB-O 3.4Å; T340-D383 PolarHBondContact OG1-O 2.91Å
341	L	98	Very high	97.2	Very high	17 Å²	17	44.1 Å²	44.1	9%	0.089	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-103.1	147.3	-174.9	-55.8	174	0	0	0	111.2	M314 R316 G332 G333 D335 A363 R364	M314-L341 HydrophobicContact CE-CD1 3.67Å; M314-L341 HydrophobicContact CE-CD2 3.86Å; M314-L341 HydrophobicContact CE-CG 4.43Å; M314-L341 HydrophobicContact SD-CD1 4.06Å; R316-L341 HydrophobicContact CB-CD1 4.24Å; G332-L341 WeakPolarHBondContact CA-O 3.22Å; G333-L341 PolarHBondContact O-N 2.99Å; D335-L341 HydrophobicContact CB-CD1 4.28Å; D335-L341 HydrophobicContact CB-CD2 4.3Å; L341-A363 WeakPolarHBondContact O-CA 2.73Å; L341-R364 PolarHBondContact O-N 3.17Å
342	S	97.8	Very high	97.1	Very high	41 Å²	41	46.3 Å²	46.3	29%	0.287	24%	0.244	S	C	.	.			trans	-106.5	-6.8	163.2	57.6	0	0	0	0	112.7	P359 M360	S342-P359 CarbonylContact O-C 3.6Å; S342-P359 VanDerWaalsContact O-CA 3.3Å; S342-P359 WeakPolarHBondContact O-CA 3.43Å; S342-P359 WeakPolarHBondContact O-CB 3.47Å; S342-M360 PolarHBondContact O-N 2.77Å
343	S	98.3	Very high	97.1	Very high	37 Å²	37	49.5 Å²	49.5	26%	0.259	26%	0.263	S	S	.	.			trans	-67.5	146	-174.3	63.2	0	0	0	0	112.7	R316 G332	R316-S343 PolarHBondContact NH1-O 3.39Å; R316-S343 PolarHBondContact NH1-OG 2.61Å; G332-S343 PolarHBondContact N-O 2.88Å
344	G	98.2	Very high	97.2	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.5	175.4	0	0	0	0	0	113.3	V330 L357	V330-G344 CarbonylContact O-C 3.46Å; V330-G344 WeakPolarHBondContact O-CA 3.4Å; G344-L357 PolarHBondContact O-N 3.32Å
345	E	98.5	Very high	97.2	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.2	175.9	-58.3	-178.3	-116.2	0	0	110.3	S313 R316 V330 W354 T355	S313-E345 WeakPolarHBondContact CB-OE2 3.37Å; S313-E345 PolarHBondContact N-OE1 2.98Å; S313-E345 PolarHBondContact N-OE2 3.25Å; S313-E345 PolarHBondContact OG-OE2 2.8Å; R316-E345 IonicContact CZ-OE1 4Å; R316-E345 IonicContact NE-OE1 3.78Å; R316-E345 IonicContact NH2-OE1 3.86Å; R316-E345 PolarHBondContact NH2-OE1 3.07Å; V330-E345 PolarHBondContact N-O 2.81Å; V330-E345 PolarHBondContact O-N 3.04Å; E345-W354 HydrophobicContact CB-CD2 4.41Å; E345-W354 HydrophobicContact CB-CE3 3.5Å; E345-W354 HydrophobicContact CB-CZ3 3.95Å; E345-T355 CarbonylContact C-O 3.58Å; E345-T355 WeakPolarHBondContact CA-O 2.98Å
346	K	98.5	Very high	97.3	Very high	54 Å²	54	56.7 Å²	56.7	24%	0.235	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.9	173.3	-174	-175.1	76.4	152.9	0	110	F327 L328 F329 W354 T355 L357	F327-K346 HydrophobicContact CB-CD 4.13Å; F327-K346 HydrophobicContact CB-CG 4.01Å; F327-K346 HydrophobicContact CD1-CD 4.13Å; F327-K346 HydrophobicContact CD1-CG 4.44Å; F327-K346 HydrophobicContact CG-CD 3.99Å; F327-K346 HydrophobicContact CG-CG 4.33Å; L328-K346 CarbonylContact O-C 3.48Å; L328-K346 WeakPolarHBondContact O-CA 3.39Å; F329-K346 HydrophobicContact CD1-CB 4.27Å; F329-K346 HydrophobicContact CD1-CG 4.18Å; F329-K346 HydrophobicContact CE1-CB 4.13Å; F329-K346 HydrophobicContact CE1-CD 3.81Å; F329-K346 HydrophobicContact CE1-CG 3.75Å; F329-K346 HydrophobicContact CE2-CG 4.44Å; F329-K346 HydrophobicContact CZ-CD 3.75Å; F329-K346 HydrophobicContact CZ-CG 3.91Å; K346-W354 VanDerWaalsContact C-CE3 3.46Å; K346-W354 CarbonylContact O-C 3.48Å; K346-W354 VanDerWaalsContact O-CA 3.31Å; K346-W354 WeakPolarHBondContact O-CA 3.33Å; K346-T355 PolarHBondContact N-O 2.99Å; K346-T355 PolarHBondContact O-N 3.45Å; K346-L357 HydrophobicContact CB-CD1 4.01Å; K346-L357 HydrophobicContact CB-CD2 3.98Å; K346-L357 HydrophobicContact CB-CG 4.09Å
347	Y	98.7	Very high	97.5	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.6	173.4	178.1	-103.7	0	0	0	111.4	M292 L309 A310 L328 P349 N352 T353 W354 L573	M292-Y347 HydrophobicContact CE-CD1 3.64Å; M292-Y347 HydrophobicContact CE-CD2 4.31Å; M292-Y347 HydrophobicContact CE-CE1 3.75Å; M292-Y347 HydrophobicContact CE-CE2 4.43Å; M292-Y347 HydrophobicContact CE-CG 3.91Å; M292-Y347 HydrophobicContact SD-CD1 4.39Å; M292-Y347 HydrophobicContact SD-CD2 4Å; M292-Y347 HydrophobicContact SD-CE1 4.39Å; M292-Y347 HydrophobicContact SD-CE2 4.03Å; M292-Y347 HydrophobicContact SD-CG 4.18Å; L309-Y347 HydrophobicContact CD1-CE1 4.35Å; A310-Y347 HydrophobicContact CB-CE2 4.24Å; L328-Y347 HydrophobicContact CB-CD1 4.39Å; L328-Y347 PolarHBondContact N-O 3.38Å; L328-Y347 PolarHBondContact O-N 2.99Å; Y347-P349 HydrophobicContact CE1-CB 3.93Å; Y347-N352 WeakPolarHBondContact CE2-OD1 3.43Å; Y347-N352 PolarHBondContact OH-OD1 3.18Å; Y347-T353 WeakPolarHBondContact CA-O 3.28Å; Y347-T353 WeakPolarHBondContact CD2-O 3.25Å; Y347-W354 AromaticContact CD2-CD1 3.99Å; Y347-W354 HydrophobicContact CD2-CD2 4.05Å; Y347-W354 AromaticContact CD2-CE2 3.71Å; Y347-W354 HydrophobicContact CD2-CG 4.25Å; Y347-W354 HydrophobicContact CD2-CZ2 4.19Å; Y347-W354 AromaticContact CD2-NE1 3.62Å; Y347-W354 HydrophobicContact CG-CD2 4.39Å; Y347-W354 HydrophobicContact CG-CZ2 4.22Å; Y347-L573 HydrophobicContact CD1-CD2 4.03Å; Y347-L573 HydrophobicContact CE1-CD2 3.97Å
348	D	98.1	Very high	97.6	Very high	40 Å²	40	48.5 Å²	48.5	21%	0.214	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.1	171.4	-176	-35.3	0	0	0	109.7	F327 D350 A351 N352 T353	F327-D348 HydrophobicContact CD1-CB 4.25Å; F327-D348 HydrophobicContact CE1-CB 4.18Å; D348-D350 VanDerWaalsContact C-N 3.29Å; D348-D350 PolarHBondContact O-N 3.13Å; D348-D350 WeakPolarHBondContact OD1-CA 3.27Å; D348-D350 WeakPolarHBondContact OD1-CB 3.01Å; D348-D350 PolarHBondContact OD1-N 2.81Å; D348-A351 HydrophobicContact CB-CB 4.11Å; D348-A351 PolarHBondContact OD1-N 2.96Å; D348-N352 WeakPolarHBondContact O-CA 3.49Å; D348-N352 PolarHBondContact O-N 3.1Å; D348-T353 PolarHBondContact N-O 2.89Å; D348-T353 PolarHBondContact O-N 2.96Å
349	P	97.4	Very high	97.8	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.019	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.7	-179.8	27.5	-33.5	0	0	0	114.1	G326 Y347 L573 I575	G326-P349 WeakPolarHBondContact O-CD 3.45Å; G326-P349 VanDerWaalsContact O-CG 3.31Å; G326-P349 WeakPolarHBondContact O-CG 3.42Å; Y347-P349 HydrophobicContact CE1-CB 3.93Å; P349-L573 HydrophobicContact CB-CD2 4.08Å; P349-L573 HydrophobicContact CG-CD2 4.41Å; P349-I575 HydrophobicContact CB-CG1 4.12Å; P349-I575 HydrophobicContact CB-CG2 4.43Å
350	D	94.9	Very high	97.9	Very high	59 Å²	59	38.6 Å²	38.6	32%	0.316	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-34.9	-178.3	-63.1	-38.3	0	0	0	110.8	K186 D348 K579	K186-D350 IonicContact NZ-OD1 3.41Å; K186-D350 IonicContact NZ-OD2 3.92Å; D348-D350 VanDerWaalsContact C-N 3.29Å; D348-D350 PolarHBondContact O-N 3.13Å; D348-D350 WeakPolarHBondContact OD1-CA 3.27Å; D348-D350 WeakPolarHBondContact OD1-CB 3.01Å; D348-D350 PolarHBondContact OD1-N 2.81Å; D350-K579 WeakPolarHBondContact O-CE 3.43Å; D350-K579 PolarHBondContact O-NZ 3.08Å
351	A	96.7	Very high	97.9	Very high	56 Å²	56	43 Å²	43	46%	0.463	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-20.2	171.5	0	0	0	0	0	113.5	D348 T353	D348-A351 HydrophobicContact CB-CB 4.11Å; D348-A351 PolarHBondContact OD1-N 2.96Å; A351-T353 VanDerWaalsContact C-N 3.34Å; A351-T353 HydrophobicContact CB-CG2 4.39Å; A351-T353 WeakPolarHBondContact CB-OG1 3.44Å
352	N	97.6	Very high	97.8	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.241	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	50.3	-168.1	-174.1	38.4	0	0	0	111.8	A310 Y347 D348	A310-N352 VanDerWaalsContact CB-O 3.23Å; A310-N352 WeakPolarHBondContact CB-O 3.37Å; A310-N352 PolarHBondContact N-OD1 2.84Å; Y347-N352 WeakPolarHBondContact CE2-OD1 3.43Å; Y347-N352 PolarHBondContact OH-OD1 3.18Å; D348-N352 WeakPolarHBondContact O-CA 3.49Å; D348-N352 PolarHBondContact O-N 3.1Å
353	T	98.2	Very high	97.8	Very high	68 Å²	68	45 Å²	45	42%	0.417	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.9	-177.9	56.1	0	0	0	0	111.9	Y347 D348 A351	Y347-T353 WeakPolarHBondContact CA-O 3.28Å; Y347-T353 WeakPolarHBondContact CD2-O 3.25Å; D348-T353 PolarHBondContact N-O 2.89Å; D348-T353 PolarHBondContact O-N 2.96Å; A351-T353 VanDerWaalsContact C-N 3.34Å; A351-T353 HydrophobicContact CB-CG2 4.39Å; A351-T353 WeakPolarHBondContact CB-OG1 3.44Å
354	W	98.6	Very high	97.7	Very high	34 Å²	34	43.4 Å²	43.4	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.5	171.9	-68.9	93.1	0	0	0	110.8	V278 M292 A310 P311 L312 L328 V330 E345 K346 Y347	V278-W354 HydrophobicContact CG1-CH2 4.12Å; V278-W354 HydrophobicContact CG1-CZ2 4.05Å; M292-W354 HydrophobicContact CE-CZ2 4.22Å; M292-W354 HydrophobicContact SD-CH2 4.49Å; M292-W354 HydrophobicContact SD-CZ2 3.49Å; M292-W354 WeakPolarHBondContact SD-CZ2 3.42Å; A310-W354 PolarHBondContact O-NE1 3.03Å; P311-W354 PolarHBondContact O-NE1 2.8Å; L312-W354 HydrophobicContact CD2-CD2 4.07Å; L312-W354 HydrophobicContact CD2-CE3 4Å; L312-W354 HydrophobicContact CD2-CH2 3.43Å; L312-W354 VanDerWaalsContact CD2-CH2 3.43Å; L312-W354 HydrophobicContact CD2-CZ2 3.51Å; L312-W354 HydrophobicContact CD2-CZ3 3.7Å; L312-W354 HydrophobicContact CG-CH2 4.38Å; L312-W354 HydrophobicContact CG-CZ2 4.07Å; L328-W354 HydrophobicContact CD2-CH2 3.43Å; L328-W354 VanDerWaalsContact CD2-CH2 3.43Å; L328-W354 HydrophobicContact CD2-CZ2 4.27Å; L328-W354 HydrophobicContact CD2-CZ3 4.11Å; V330-W354 HydrophobicContact CB-CH2 4.32Å; V330-W354 HydrophobicContact CB-CZ3 4.16Å; V330-W354 HydrophobicContact CG2-CH2 3.65Å; V330-W354 HydrophobicContact CG2-CZ3 3.95Å; E345-W354 HydrophobicContact CB-CD2 4.41Å; E345-W354 HydrophobicContact CB-CE3 3.5Å; E345-W354 HydrophobicContact CB-CZ3 3.95Å; K346-W354 VanDerWaalsContact C-CE3 3.46Å; K346-W354 CarbonylContact O-C 3.48Å; K346-W354 VanDerWaalsContact O-CA 3.31Å; K346-W354 WeakPolarHBondContact O-CA 3.33Å; Y347-W354 AromaticContact CD2-CD1 3.99Å; Y347-W354 HydrophobicContact CD2-CD2 4.05Å; Y347-W354 AromaticContact CD2-CE2 3.71Å; Y347-W354 HydrophobicContact CD2-CG 4.25Å; Y347-W354 HydrophobicContact CD2-CZ2 4.19Å; Y347-W354 AromaticContact CD2-NE1 3.62Å; Y347-W354 HydrophobicContact CG-CD2 4.39Å; Y347-W354 HydrophobicContact CG-CZ2 4.22Å
355	T	98.3	Very high	97.7	Very high	80 Å²	80	43.7 Å²	43.7	49%	0.491	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.8	171.4	-54.4	0	0	0	0	109.2	E345 K346	E345-T355 CarbonylContact C-O 3.58Å; E345-T355 WeakPolarHBondContact CA-O 2.98Å; K346-T355 PolarHBondContact N-O 2.99Å; K346-T355 PolarHBondContact O-N 3.45Å
356	A	98.3	Very high	97.5	Very high	83 Å²	83	44.5 Å²	44.5	69%	0.686	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	145.3	176.2	0	0	0	0	0	111.8
357	L	98.2	Very high	97.5	Very high	27 Å²	27	43 Å²	43	14%	0.141	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	159.9	177.2	-65.1	173.5	0	0	0	111.3	F329 F331 G344 K346	F329-L357 HydrophobicContact CD1-CD1 3.61Å; F329-L357 HydrophobicContact CE1-CD1 4.08Å; F331-L357 HydrophobicContact CE1-CB 4.2Å; F331-L357 HydrophobicContact CE1-CD1 3.91Å; F331-L357 HydrophobicContact CE2-CD1 4.16Å; F331-L357 HydrophobicContact CZ-CB 4.45Å; F331-L357 HydrophobicContact CZ-CD1 3.44Å; F331-L357 VanDerWaalsContact CZ-CD1 3.44Å; G344-L357 PolarHBondContact O-N 3.32Å; K346-L357 HydrophobicContact CB-CD1 4.01Å; K346-L357 HydrophobicContact CB-CD2 3.98Å; K346-L357 HydrophobicContact CB-CG 4.09Å
358	P	97.9	Very high	97.3	Very high	50 Å²	50	43 Å²	43	33%	0.325	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-53.3	130.1	166.7	-24.5	35.1	0	0	0	110.7	Y394 W401	P358-Y394 HydrophobicContact CG-CE2 4.25Å; P358-W401 PolarHBondContact O-NE1 3.46Å
359	P	98.1	Very high	97.3	Very high	76 Å²	76	42.4 Å²	42.4	49%	0.494	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-67.4	155.9	-179	29.8	-35.5	0	0	0	111.4	S342 W401	S342-P359 CarbonylContact O-C 3.6Å; S342-P359 VanDerWaalsContact O-CA 3.3Å; S342-P359 WeakPolarHBondContact O-CA 3.43Å; S342-P359 WeakPolarHBondContact O-CB 3.47Å; P359-W401 PolarHBondContact O-NE1 2.84Å; P359-W401 VanDerWaalsContact O-NE1 3.08Å
360	M	98.2	Very high	97.3	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.034	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60.2	155	169.5	-61.8	-178.7	-61.9	0	0	110.9	F331 S342 E362 R364 F367 I378 W401	F331-M360 HydrophobicContact CB-CE 4.32Å; F331-M360 HydrophobicContact CB-SD 3.94Å; F331-M360 HydrophobicContact CD1-CG 4.14Å; S342-M360 PolarHBondContact O-N 2.77Å; M360-E362 VanDerWaalsContact C-N 3.3Å; M360-E362 WeakPolarHBondContact CB-O 3.31Å; M360-E362 PolarHBondContact O-N 2.88Å; M360-R364 HydrophobicContact CE-CB 4.19Å; M360-R364 HydrophobicContact CE-CG 4.46Å; M360-F367 HydrophobicContact CE-CZ 4.42Å; M360-F367 HydrophobicContact SD-CZ 4.41Å; M360-I378 HydrophobicContact SD-CD1 4.22Å; M360-I378 HydrophobicContact SD-CG1 4.2Å; M360-I378 HydrophobicContact SD-CG2 3.78Å; M360-W401 HydrophobicContact CB-CZ2 4.4Å; M360-W401 HydrophobicContact CG-CH2 3.57Å; M360-W401 HydrophobicContact CG-CZ2 3.63Å; M360-W401 HydrophobicContact CG-CZ3 4.26Å; M360-W401 HydrophobicContact SD-CH2 4.47Å
361	N	97	Very high	97.5	Very high	114 Å²	114	42.4 Å²	42.4	61%	0.61	26%	0.255	S	S	*	.	S	Bend	trans	-69	-31.1	177.4	-64.3	-70.3	0	0	0	112.2	E392	N361-E392 WeakPolarHBondContact CB-OE2 3.49Å; N361-E392 PolarHBondContact N-OE2 3.24Å; N361-E392 PolarHBondContact ND2-OE2 3.41Å
362	E	95.6	Very high	97.5	Very high	68 Å²	68	40.3 Å²	40.3	32%	0.318	24%	0.236	S	C	.	.	S	Bend	trans	-122.8	139.2	173.8	-60.4	-178.1	146.9	0	0	109.8	M360 R364 S390	M360-E362 VanDerWaalsContact C-N 3.3Å; M360-E362 WeakPolarHBondContact CB-O 3.31Å; M360-E362 PolarHBondContact O-N 2.88Å; E362-R364 IonicContact OE2-CZ 3.35Å; E362-R364 IonicContact OE2-NH1 3.31Å; E362-R364 IonicContact OE2-NH2 3.4Å; E362-R364 PolarHBondContact OE2-NH2 2.95Å; E362-S390 WeakPolarHBondContact OE2-CB 3.24Å; E362-S390 PolarHBondContact OE2-OG 2.65Å
363	A	97.9	Very high	97.2	Very high	32 Å²	32	40.5 Å²	40.5	26%	0.264	24%	0.237	S	C	.	.			trans	-72.4	135.6	173.7	0	0	0	0	0	109.9	T340 L341 D383	T340-A363 HydrophobicContact CG2-CB 3.99Å; L341-A363 WeakPolarHBondContact O-CA 2.73Å; A363-D383 WeakPolarHBondContact O-CA 3.39Å; A363-D383 VanDerWaalsContact O-CB 3.28Å; A363-D383 WeakPolarHBondContact O-CB 3.34Å
364	R	97.9	Very high	97.1	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.011	22%	0.217	C	C	.	.			trans	-143	145.1	-174	-54.9	175.2	-168.9	-85	-7.4	111.9	G333 L341 M360 E362 F367 G380 E382 L388 S390 E392	G333-R364 PolarHBondContact N-O 2.84Å; L341-R364 PolarHBondContact O-N 3.17Å; M360-R364 HydrophobicContact CE-CB 4.19Å; M360-R364 HydrophobicContact CE-CG 4.46Å; E362-R364 IonicContact OE2-CZ 3.35Å; E362-R364 IonicContact OE2-NH1 3.31Å; E362-R364 IonicContact OE2-NH2 3.4Å; E362-R364 PolarHBondContact OE2-NH2 2.95Å; R364-F367 HydrophobicContact CB-CB 4.19Å; R364-F367 HydrophobicContact CB-CD1 3.47Å; R364-F367 VanDerWaalsContact CB-CD1 3.47Å; R364-F367 HydrophobicContact CB-CE1 3.99Å; R364-F367 HydrophobicContact CB-CG 3.94Å; R364-F367 WeakPolarHBondContact O-CE1 3.36Å; R364-G380 WeakPolarHBondContact CD-O 3.4Å; R364-G380 PolarHBondContact NH1-O 2.86Å; R364-G380 VanDerWaalsContact NH1-O 3.14Å; R364-E382 CarbonylContact C-O 3.58Å; R364-E382 WeakPolarHBondContact CA-O 3.33Å; R364-L388 HydrophobicContact CG-CD1 3.77Å; R364-L388 VanDerWaalsContact NH1-CD1 3.32Å; R364-S390 PolarHBondContact NH1-O 3.39Å; R364-S390 PolarHBondContact NH1-OG 3.39Å; R364-S390 PolarHBondContact NH2-OG 3.34Å; R364-E392 IonicContact CZ-OE1 3.62Å; R364-E392 IonicContact NE-OE1 2.7Å; R364-E392 PolarHBondContact NE-OE1 3.1Å; R364-E392 IonicContact NH2-OE1 3.66Å; R364-E392 PolarHBondContact NH2-OE1 3.38Å
365	H	96.9	Very high	97	Very high	9 Å²	9	38 Å²	38	4%	0.042	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-132.8	167.2	158.5	65.6	-79.6	0	0	0	109.6	N318 Q334 T340 F367 G381 E382	N318-H365 HydrophobicContact CB-CB 4.16Å; N318-H365 WeakPolarHBondContact O-CA 3.43Å; Q334-H365 HydrophobicContact CG-CB 3.79Å; Q334-H365 PolarHBondContact NE2-CE1 3.24Å; Q334-H365 PolarHBondContact NE2-NE2 3.14Å; Q334-H365 PolarHBondContact OE1-CD2 2.95Å; Q334-H365 VanDerWaalsContact OE1-CD2 3.32Å; T340-H365 HydrophobicContact CG2-CB 4.34Å; T340-H365 WeakPolarHBondContact CG2-ND1 3.21Å; T340-H365 PolarHBondContact OG1-ND1 2.97Å; H365-F367 PolarHBondContact O-N 3.12Å; H365-F367 VanDerWaalsContact O-N 3.12Å; H365-G381 WeakPolarHBondContact O-CA 3.29Å; H365-E382 IonicContact CD2-OE1 3.72Å; H365-E382 WeakPolarHBondContact CE1-CG 3.39Å; H365-E382 PolarHBondContact N-O 3.37Å; H365-E382 PolarHBondContact ND1-O 2.98Å; H365-E382 WeakPolarHBondContact NE2-CG 3.29Å; H365-E382 IonicContact NE2-OE1 3.32Å; H365-E382 PolarHBondContact NE2-OE1 3.35Å; H365-E382 PolarHBondContact O-N 2.95Å
366	N	95.7	Very high	97	Very high	26 Å²	26	34.1 Å²	34.1	14%	0.139	20%	0.199	C	C	.	.	S	Bend	trans	57.5	28.1	179.4	-72.1	-29.7	0	0	0	114	N318 G381 E382 I413	N318-N366 WeakPolarHBondContact CB-OD1 3.41Å; N318-N366 VanDerWaalsContact CG-OD1 3.31Å; N318-N366 PolarHBondContact O-N 3.15Å; N366-G381 WeakPolarHBondContact O-CA 3.28Å; N366-E382 PolarHBondContact ND2-OE1 3.08Å; N366-I413 HydrophobicContact CB-CD1 4.3Å; N366-I413 HydrophobicContact CB-CG1 3.59Å; N366-I413 PolarHBondContact O-N 3.32Å
367	F	96.7	Very high	97	Very high	21 Å²	21	31 Å²	31	9%	0.092	17%	0.17	C	C	.	.			trans	-100.3	167.3	-176.2	65.2	-89.2	0	0	0	111.7	G320 F331 M360 R364 H365 I369 I378 L379 G380	G320-F367 VanDerWaalsContact N-CZ 3.29Å; F331-F367 HydrophobicContact CB-CZ 4.15Å; F331-F367 VanDerWaalsContact O-CZ 3.23Å; F331-F367 WeakPolarHBondContact O-CZ 3.43Å; M360-F367 HydrophobicContact CE-CZ 4.42Å; M360-F367 HydrophobicContact SD-CZ 4.41Å; R364-F367 HydrophobicContact CB-CB 4.19Å; R364-F367 HydrophobicContact CB-CD1 3.47Å; R364-F367 VanDerWaalsContact CB-CD1 3.47Å; R364-F367 HydrophobicContact CB-CE1 3.99Å; R364-F367 HydrophobicContact CB-CG 3.94Å; R364-F367 WeakPolarHBondContact O-CE1 3.36Å; H365-F367 PolarHBondContact O-N 3.12Å; H365-F367 VanDerWaalsContact O-N 3.12Å; F367-I369 HydrophobicContact CE2-CB 4.28Å; F367-I378 HydrophobicContact CD2-CD1 4.42Å; F367-I378 HydrophobicContact CD2-CG2 3.68Å; F367-I378 HydrophobicContact CE2-CD1 3.75Å; F367-I378 HydrophobicContact CE2-CG2 3.86Å; F367-I378 HydrophobicContact CG-CG2 4.46Å; F367-L379 WeakPolarHBondContact CB-O 3.18Å; F367-G380 WeakPolarHBondContact CB-O 3.24Å
368	G	96	Very high	97	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.9	173.4	0	0	0	0	0	112.7	I378 L379 Y416	G368-I378 WeakPolarHBondContact O-CA 3.49Å; G368-L379 PolarHBondContact N-O 3.4Å; G368-L379 PolarHBondContact O-N 2.89Å; G368-Y416 VanDerWaalsContact CA-CE2 3.4Å
369	I	97.7	Very high	97	Very high	27 Å²	27	27.3 Å²	27.3	14%	0.138	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.6	170.1	-165.4	177.6	0	0	0	109.8	L322 F331 F367 Y377 I378	L322-I369 HydrophobicContact CD2-CB 4.33Å; L322-I369 HydrophobicContact CD2-CD1 3.78Å; L322-I369 HydrophobicContact CD2-CG1 3.51Å; L322-I369 HydrophobicContact CD2-CG2 4.22Å; L322-I369 HydrophobicContact CG-CD1 3.89Å; L322-I369 HydrophobicContact CG-CG1 4.17Å; F331-I369 HydrophobicContact CD2-CD1 3.95Å; F367-I369 HydrophobicContact CE2-CB 4.28Å; I369-Y377 VanDerWaalsContact CA-O 3.29Å; I369-Y377 WeakPolarHBondContact CA-O 3.46Å; I369-I378 HydrophobicContact CB-CD1 4.16Å; I369-I378 HydrophobicContact CD1-CD1 3.57Å; I369-I378 HydrophobicContact CG1-CD1 3.53Å
370	V	97.9	Very high	96.9	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.036	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.7	-177.8	177.6	0	0	0	0	109.8	Y377 L379 A418 I423	V370-Y377 PolarHBondContact N-O 3.49Å; V370-Y377 PolarHBondContact O-N 2.85Å; V370-L379 HydrophobicContact CG2-CD1 4.36Å; V370-A418 HydrophobicContact CG1-CB 3.44Å; V370-A418 VanDerWaalsContact CG1-CB 3.44Å; V370-I423 HydrophobicContact CB-CG2 4.2Å; V370-I423 HydrophobicContact CG1-CG1 4.24Å; V370-I423 HydrophobicContact CG1-CG2 4.29Å; V370-I423 HydrophobicContact CG2-CG2 3.98Å
371	E	97.5	Very high	96.8	Very high	55 Å²	55	23.4 Å²	23.4	26%	0.257	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.4	175.6	-179.5	-82.6	153.2	0	0	110.9	L322 A324 D373 G374 M375 L376	L322-E371 HydrophobicContact CD1-CB 4.25Å; L322-E371 HydrophobicContact CD2-CB 3.85Å; A324-E371 HydrophobicContact CB-CB 4.49Å; A324-E371 HydrophobicContact CB-CG 3.66Å; E371-D373 PolarHBondContact OE1-N 3.44Å; E371-G374 PolarHBondContact OE1-N 2.85Å; E371-M375 WeakPolarHBondContact CA-O 3.28Å; E371-L376 HydrophobicContact CB-CD2 3.92Å; E371-L376 HydrophobicContact CG-CD2 3.72Å
372	I	96.4	Very high	96.7	Very high	12 Å²	12	19 Å²	19	6%	0.062	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	118.3	168.8	-59.7	170.1	0	0	0	107.7	G374 M375 Y377 A418 K421 I423 P443	I372-G374 VanDerWaalsContact C-N 3.29Å; I372-G374 PolarHBondContact O-N 2.99Å; I372-M375 PolarHBondContact N-O 2.97Å; I372-M375 WeakPolarHBondContact O-CA 3.3Å; I372-M375 VanDerWaalsContact O-CB 3.27Å; I372-M375 WeakPolarHBondContact O-CB 3.09Å; I372-M375 PolarHBondContact O-N 2.82Å; I372-Y377 HydrophobicContact CB-CE2 4.07Å; I372-Y377 HydrophobicContact CD1-CE2 4.23Å; I372-Y377 HydrophobicContact CG1-CE2 4.39Å; I372-A418 HydrophobicContact CG1-CB 4.16Å; I372-K421 HydrophobicContact CG2-CB 3.79Å; I372-K421 HydrophobicContact CG2-CG 4.12Å; I372-I423 HydrophobicContact CD1-CD1 4.21Å; I372-I423 HydrophobicContact CD1-CG1 3.48Å; I372-I423 VanDerWaalsContact CD1-CG1 3.48Å; I372-P443 HydrophobicContact CD1-CG 3.85Å
373	D	93.2	Very high	96.6	Very high	50 Å²	50	17.6 Å²	17.6	27%	0.267	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	43.8	173.7	-53.2	-10.8	0	0	0	113.8	H148 E371 M375 K421	H148-D373 IonicContact NE2-OD1 3.32Å; E371-D373 PolarHBondContact OE1-N 3.44Å; D373-M375 VanDerWaalsContact C-N 3.28Å; D373-M375 PolarHBondContact O-N 2.83Å; D373-K421 VanDerWaalsContact CG-NZ 3.33Å; D373-K421 WeakPolarHBondContact OD1-CE 3.44Å; D373-K421 IonicContact OD1-NZ 2.73Å; D373-K421 PolarHBondContact OD1-NZ 3.02Å; D373-K421 VanDerWaalsContact OD2-CD 3.26Å; D373-K421 WeakPolarHBondContact OD2-CD 3.46Å; D373-K421 WeakPolarHBondContact OD2-CE 3.13Å; D373-K421 IonicContact OD2-NZ 2.78Å; D373-K421 PolarHBondContact OD2-NZ 2.62Å
374	G	94.2	Very high	96.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	3.1	-177.8	0	0	0	0	0	115	E371 I372 I396	E371-G374 PolarHBondContact OE1-N 2.85Å; I372-G374 VanDerWaalsContact C-N 3.29Å; I372-G374 PolarHBondContact O-N 2.99Å; G374-I396 VanDerWaalsContact CA-CD1 3.43Å; G374-I396 WeakPolarHBondContact O-CD1 3.38Å; G374-I396 WeakPolarHBondContact O-CG1 3.37Å; G374-I396 WeakPolarHBondContact O-CG2 3.41Å
375	M	97	Very high	96	Very high	48 Å²	48	27.6 Å²	27.6	24%	0.236	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.7	174.8	-58.1	-66.6	-71	0	0	110.4	E371 I372 D373 Y377 D395	E371-M375 WeakPolarHBondContact CA-O 3.28Å; I372-M375 PolarHBondContact N-O 2.97Å; I372-M375 WeakPolarHBondContact O-CA 3.3Å; I372-M375 VanDerWaalsContact O-CB 3.27Å; I372-M375 WeakPolarHBondContact O-CB 3.09Å; I372-M375 PolarHBondContact O-N 2.82Å; D373-M375 VanDerWaalsContact C-N 3.28Å; D373-M375 PolarHBondContact O-N 2.83Å; M375-Y377 HydrophobicContact CB-CD2 4.43Å; M375-Y377 HydrophobicContact CB-CE2 3.65Å; M375-D395 HydrophobicContact CE-CB 3.85Å; M375-D395 HydrophobicContact SD-CB 3.58Å; M375-D395 VanDerWaalsContact SD-CB 3.58Å
376	L	98.5	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.7	-178.1	-44.5	-172.1	0	0	0	110.3	L322 A324 F329 F331 E371 C393 Y394 I396	L322-L376 HydrophobicContact CD1-CD1 4.27Å; L322-L376 HydrophobicContact CD1-CD2 3.75Å; L322-L376 HydrophobicContact CD2-CD2 4.36Å; A324-L376 HydrophobicContact CB-CD2 3.76Å; F329-L376 HydrophobicContact CB-CD1 3.89Å; F329-L376 HydrophobicContact CD1-CD1 3.67Å; F329-L376 HydrophobicContact CD2-CD1 4.04Å; F329-L376 HydrophobicContact CE1-CD1 4.18Å; F329-L376 HydrophobicContact CG-CD1 3.59Å; F331-L376 HydrophobicContact CE2-CD1 3.95Å; E371-L376 HydrophobicContact CB-CD2 3.92Å; E371-L376 HydrophobicContact CG-CD2 3.72Å; L376-C393 CarbonylContact O-C 3.52Å; L376-C393 WeakPolarHBondContact O-CA 3.37Å; L376-Y394 HydrophobicContact CD1-CD1 4.07Å; L376-Y394 HydrophobicContact CG-CD1 4.36Å; L376-Y394 PolarHBondContact N-O 2.87Å; L376-Y394 PolarHBondContact O-N 3.18Å; L376-I396 HydrophobicContact CD1-CG2 3.86Å; L376-I396 HydrophobicContact CD2-CG2 4.13Å; L376-I396 HydrophobicContact CG-CG2 3.76Å
377	Y	98.4	Very high	95.8	Very high	17 Å²	17	32.6 Å²	32.6	7%	0.067	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.5	179.7	-63.3	-98.1	0	0	0	110.6	I369 V370 I372 M375 L379 C393 Q404 I423 Y441 P443	I369-Y377 VanDerWaalsContact CA-O 3.29Å; I369-Y377 WeakPolarHBondContact CA-O 3.46Å; V370-Y377 PolarHBondContact N-O 3.49Å; V370-Y377 PolarHBondContact O-N 2.85Å; I372-Y377 HydrophobicContact CB-CE2 4.07Å; I372-Y377 HydrophobicContact CD1-CE2 4.23Å; I372-Y377 HydrophobicContact CG1-CE2 4.39Å; M375-Y377 HydrophobicContact CB-CD2 4.43Å; M375-Y377 HydrophobicContact CB-CE2 3.65Å; Y377-L379 WeakPolarHBondContact O-CD1 3.47Å; Y377-C393 HydrophobicContact CD1-CB 3.59Å; Y377-C393 HydrophobicContact CE1-CB 3.77Å; Y377-C393 HydrophobicContact CG-CB 4.04Å; Y377-Q404 HydrophobicContact CD1-CG 4.4Å; Y377-Q404 HydrophobicContact CE1-CG 4.4Å; Y377-I423 VanDerWaalsContact CB-CD1 3.5Å; Y377-I423 HydrophobicContact CD1-CD1 3.6Å; Y377-I423 HydrophobicContact CD2-CD1 3.72Å; Y377-I423 HydrophobicContact CE1-CD1 4.24Å; Y377-I423 HydrophobicContact CE2-CD1 4.34Å; Y377-I423 HydrophobicContact CG-CD1 3.31Å; Y377-Y441 HydrophobicContact CD1-CE1 4.48Å; Y377-Y441 HydrophobicContact CE1-CE1 4.12Å; Y377-P443 WeakPolarHBondContact OH-CB 3.47Å
378	I	98.2	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.8	-179.7	-56.8	-69.9	0	0	0	108.5	F331 M360 F367 G368 I369 M391 E392 W401	F331-I378 HydrophobicContact CB-CD1 4.46Å; F331-I378 HydrophobicContact CD2-CD1 4.42Å; M360-I378 HydrophobicContact SD-CD1 4.22Å; M360-I378 HydrophobicContact SD-CG1 4.2Å; M360-I378 HydrophobicContact SD-CG2 3.78Å; F367-I378 HydrophobicContact CD2-CD1 4.42Å; F367-I378 HydrophobicContact CD2-CG2 3.68Å; F367-I378 HydrophobicContact CE2-CD1 3.75Å; F367-I378 HydrophobicContact CE2-CG2 3.86Å; F367-I378 HydrophobicContact CG-CG2 4.46Å; G368-I378 WeakPolarHBondContact O-CA 3.49Å; I369-I378 HydrophobicContact CB-CD1 4.16Å; I369-I378 HydrophobicContact CD1-CD1 3.57Å; I369-I378 HydrophobicContact CG1-CD1 3.53Å; I378-M391 VanDerWaalsContact O-CA 3.3Å; I378-M391 WeakPolarHBondContact O-CA 3.49Å; I378-M391 WeakPolarHBondContact O-CG 3.33Å; I378-E392 HydrophobicContact CB-CG 4Å; I378-E392 HydrophobicContact CG2-CG 4.46Å; I378-E392 PolarHBondContact N-O 3.07Å; I378-E392 PolarHBondContact O-N 2.94Å; I378-E392 VanDerWaalsContact O-N 3.15Å; I378-W401 HydrophobicContact CB-CZ3 4.48Å; I378-W401 HydrophobicContact CD1-CH2 4.36Å; I378-W401 HydrophobicContact CG1-CH2 3.71Å; I378-W401 HydrophobicContact CG1-CZ3 3.58Å
379	L	97.1	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.9	-167.9	-53.2	99.3	0	0	0	112.4	F367 G368 V370 Y377 G381 M391 L407 Y416 I423 W448	F367-L379 WeakPolarHBondContact CB-O 3.18Å; G368-L379 PolarHBondContact N-O 3.4Å; G368-L379 PolarHBondContact O-N 2.89Å; V370-L379 HydrophobicContact CG2-CD1 4.36Å; Y377-L379 WeakPolarHBondContact O-CD1 3.47Å; L379-G381 PolarHBondContact O-N 3.24Å; L379-M391 HydrophobicContact CD2-CG 4.36Å; L379-M391 HydrophobicContact CD2-SD 3.41Å; L379-M391 WeakPolarHBondContact CD2-SD 3.27Å; L379-M391 HydrophobicContact CG-CG 4.06Å; L379-M391 HydrophobicContact CG-SD 3.73Å; L379-L407 HydrophobicContact CB-CD1 4.31Å; L379-L407 HydrophobicContact CD2-CD2 4.23Å; L379-Y416 HydrophobicContact CB-CD1 4.2Å; L379-Y416 HydrophobicContact CB-CE1 3.88Å; L379-Y416 HydrophobicContact CD1-CD1 4.35Å; L379-Y416 HydrophobicContact CD2-CD1 4.28Å; L379-Y416 HydrophobicContact CD2-CE1 4.42Å; L379-I423 HydrophobicContact CD1-CG2 4.32Å; L379-I423 HydrophobicContact CD2-CG2 3.9Å; L379-W448 HydrophobicContact CD2-CH2 3.66Å; L379-W448 HydrophobicContact CD2-CZ2 3.98Å
380	G	96.2	Very high	95.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.			trans	61.1	-131.8	166.6	0	0	0	0	0	114.1	R364 F367 L388 S390	R364-G380 WeakPolarHBondContact CD-O 3.4Å; R364-G380 PolarHBondContact NH1-O 2.86Å; R364-G380 VanDerWaalsContact NH1-O 3.14Å; F367-G380 WeakPolarHBondContact CB-O 3.24Å; G380-L388 VanDerWaalsContact CA-O 3.28Å; G380-L388 WeakPolarHBondContact CA-O 3.45Å; G380-S390 PolarHBondContact N-O 3.23Å
381	G	95.8	Very high	95.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	18%	0.179	C	C	.	.			trans	82.4	-144.9	-173.6	0	0	0	0	0	113	H365 N366 L379 L388	H365-G381 WeakPolarHBondContact O-CA 3.29Å; N366-G381 WeakPolarHBondContact O-CA 3.28Å; L379-G381 PolarHBondContact O-N 3.24Å; G381-L388 PolarHBondContact O-N 2.72Å
382	E	95.2	Very high	95.9	Very high	22 Å²	22	31.5 Å²	31.5	10%	0.103	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-149.6	150.6	178.5	66.5	-169.8	141.7	0	0	111.6	R364 H365 N366 K386 K412	R364-E382 CarbonylContact C-O 3.58Å; R364-E382 WeakPolarHBondContact CA-O 3.33Å; H365-E382 IonicContact CD2-OE1 3.72Å; H365-E382 WeakPolarHBondContact CE1-CG 3.39Å; H365-E382 PolarHBondContact N-O 3.37Å; H365-E382 PolarHBondContact ND1-O 2.98Å; H365-E382 WeakPolarHBondContact NE2-CG 3.29Å; H365-E382 IonicContact NE2-OE1 3.32Å; H365-E382 PolarHBondContact NE2-OE1 3.35Å; H365-E382 PolarHBondContact O-N 2.95Å; N366-E382 PolarHBondContact ND2-OE1 3.08Å; E382-K386 WeakPolarHBondContact CA-O 3.06Å; E382-K386 WeakPolarHBondContact CB-O 3.44Å; E382-K412 VanDerWaalsContact CD-NZ 3.27Å; E382-K412 WeakPolarHBondContact OE1-CE 3.23Å; E382-K412 IonicContact OE1-NZ 3.97Å; E382-K412 PolarHBondContact OE1-NZ 3.13Å; E382-K412 WeakPolarHBondContact OE2-CE 3.42Å; E382-K412 IonicContact OE2-NZ 2.73Å; E382-K412 PolarHBondContact OE2-NZ 3.21Å
383	D	95	Very high	95.9	Very high	38 Å²	38	31 Å²	31	20%	0.203	17%	0.165	C	C	.	.			trans	-98.9	-6.2	-179.7	58.7	16.8	0	0	0	113.5	T340 A363 E385 K386 L388	T340-D383 VanDerWaalsContact CB-O 3.25Å; T340-D383 WeakPolarHBondContact CB-O 3.4Å; T340-D383 PolarHBondContact OG1-O 2.91Å; A363-D383 WeakPolarHBondContact O-CA 3.39Å; A363-D383 VanDerWaalsContact O-CB 3.28Å; A363-D383 WeakPolarHBondContact O-CB 3.34Å; D383-E385 WeakPolarHBondContact OD1-CA 3.27Å; D383-E385 PolarHBondContact OD1-N 2.8Å; D383-K386 PolarHBondContact N-O 3.11Å; D383-K386 WeakPolarHBondContact OD1-CG 3.43Å; D383-K386 PolarHBondContact OD1-N 2.84Å; D383-K386 WeakPolarHBondContact OD2-CE 3.45Å; D383-K386 VanDerWaalsContact OD2-CG 3.27Å; D383-K386 WeakPolarHBondContact OD2-CG 3.25Å; D383-L388 HydrophobicContact CB-CD1 4.15Å
384	G	90.2	Very high	96.2	Very high	58 Å²	58	28.7 Å²	28.7	60%	0.598	15%	0.153	S	C	*	.	S	Bend	trans	103.4	-18.5	-174.3	0	0	0	0	0	113.6
385	E	92	Very high	96.3	Very high	186 Å²	186	30.4 Å²	30.4	87%	0.869	16%	0.162	S	C	*	.	S	Bend	trans	-107	-37.4	174.4	-61.5	-171.6	167.1	0	0	111.9	D383	D383-E385 WeakPolarHBondContact OD1-CA 3.27Å; D383-E385 PolarHBondContact OD1-N 2.8Å
386	K	94.2	Very high	96.3	Very high	108 Å²	108	29 Å²	29	47%	0.47	16%	0.155	S	C	.	.	S	Bend	trans	-142.3	158.6	-176.1	57.6	174.6	176.3	174.1	0	113.1	E382 D383 L388	E382-K386 WeakPolarHBondContact CA-O 3.06Å; E382-K386 WeakPolarHBondContact CB-O 3.44Å; D383-K386 PolarHBondContact N-O 3.11Å; D383-K386 WeakPolarHBondContact OD1-CG 3.43Å; D383-K386 PolarHBondContact OD1-N 2.84Å; D383-K386 WeakPolarHBondContact OD2-CE 3.45Å; D383-K386 VanDerWaalsContact OD2-CG 3.27Å; D383-K386 WeakPolarHBondContact OD2-CG 3.25Å; K386-L388 HydrophobicContact CD-CD2 4.09Å; K386-L388 HydrophobicContact CG-CD2 4.02Å
387	E	95.3	Very high	96.1	Very high	32 Å²	32	32.9 Å²	32.9	15%	0.15	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-81	133.4	168	-55.2	179.5	144.9	0	0	109.2	V410 S430 Y431	E387-V410 HydrophobicContact CB-CG1 3.54Å; E387-V410 HydrophobicContact CB-CG2 4.24Å; E387-V410 HydrophobicContact CG-CG1 4.23Å; E387-V410 WeakPolarHBondContact OE2-CG1 3.28Å; E387-S430 WeakPolarHBondContact OE2-CB 3.3Å; E387-S430 PolarHBondContact OE2-OG 3.32Å; E387-Y431 VanDerWaalsContact OE2-CE2 3.29Å; E387-Y431 WeakPolarHBondContact OE2-CE2 3.46Å
388	L	96.6	Very high	95.9	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	19%	0.187	C	C	.	.			trans	-104	144	-171.2	-59.1	170	0	0	0	111.4	R364 G380 G381 D383 K386	R364-L388 HydrophobicContact CG-CD1 3.77Å; R364-L388 VanDerWaalsContact NH1-CD1 3.32Å; G380-L388 VanDerWaalsContact CA-O 3.28Å; G380-L388 WeakPolarHBondContact CA-O 3.45Å; G381-L388 PolarHBondContact O-N 2.72Å; D383-L388 HydrophobicContact CB-CD1 4.15Å; K386-L388 HydrophobicContact CD-CD2 4.09Å; K386-L388 HydrophobicContact CG-CD2 4.02Å
389	I	97	Very high	95.8	Very high	62 Å²	62	41.3 Å²	41.3	32%	0.318	22%	0.215	S	C	.	.			trans	-114.3	-8.5	166.7	60	170.3	0	0	0	112.3	D406 L407 V410	I389-D406 HydrophobicContact CD1-CB 4.14Å; I389-D406 HydrophobicContact CG1-CB 4.13Å; I389-D406 CarbonylContact O-C 3.35Å; I389-D406 WeakPolarHBondContact O-CA 3.46Å; I389-L407 HydrophobicContact CB-CB 4.16Å; I389-L407 WeakPolarHBondContact O-CB 3.23Å; I389-L407 PolarHBondContact O-N 2.97Å; I389-V410 HydrophobicContact CG2-CB 4.3Å; I389-V410 HydrophobicContact CG2-CG2 3.58Å
390	S	97.5	Very high	95.8	Very high	16 Å²	16	44.6 Å²	44.6	11%	0.112	24%	0.235	C	C	.	.			trans	-61.6	144.7	-177.5	39.9	0	0	0	0	111.9	E362 R364 G380 D406	E362-S390 WeakPolarHBondContact OE2-CB 3.24Å; E362-S390 PolarHBondContact OE2-OG 2.65Å; R364-S390 PolarHBondContact NH1-O 3.39Å; R364-S390 PolarHBondContact NH1-OG 3.39Å; R364-S390 PolarHBondContact NH2-OG 3.34Å; G380-S390 PolarHBondContact N-O 3.23Å; S390-D406 WeakPolarHBondContact CA-OD1 3.43Å
391	M	97.7	Very high	95.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.4	175	-171.6	169	73.4	0	0	110.5	I378 L379 Q404 P405 Y441 W448	I378-M391 VanDerWaalsContact O-CA 3.3Å; I378-M391 WeakPolarHBondContact O-CA 3.49Å; I378-M391 WeakPolarHBondContact O-CG 3.33Å; L379-M391 HydrophobicContact CD2-CG 4.36Å; L379-M391 HydrophobicContact CD2-SD 3.41Å; L379-M391 WeakPolarHBondContact CD2-SD 3.27Å; L379-M391 HydrophobicContact CG-CG 4.06Å; L379-M391 HydrophobicContact CG-SD 3.73Å; M391-Q404 HydrophobicContact CB-CB 4.08Å; M391-Q404 HydrophobicContact CE-CB 3.33Å; M391-Q404 HydrophobicContact CE-CG 4.16Å; M391-Q404 HydrophobicContact CG-CB 3.88Å; M391-Q404 PolarHBondContact O-N 2.85Å; M391-Q404 HydrophobicContact SD-CB 4.4Å; M391-P405 WeakPolarHBondContact CE-O 3.31Å; M391-Y441 HydrophobicContact CE-CD1 3.83Å; M391-Y441 HydrophobicContact CE-CD2 4.06Å; M391-Y441 HydrophobicContact CE-CE1 3.53Å; M391-Y441 HydrophobicContact CE-CE2 3.8Å; M391-Y441 HydrophobicContact CE-CG 4.07Å; M391-W448 HydrophobicContact CE-CZ2 4.08Å; M391-W448 HydrophobicContact SD-CZ2 3.81Å
392	E	97.9	Very high	95.9	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.4	173.7	58.5	-167.8	123.5	0	0	109.1	N361 R364 I378 W401 T402	N361-E392 WeakPolarHBondContact CB-OE2 3.49Å; N361-E392 PolarHBondContact N-OE2 3.24Å; N361-E392 PolarHBondContact ND2-OE2 3.41Å; R364-E392 IonicContact CZ-OE1 3.62Å; R364-E392 IonicContact NE-OE1 2.7Å; R364-E392 PolarHBondContact NE-OE1 3.1Å; R364-E392 IonicContact NH2-OE1 3.66Å; R364-E392 PolarHBondContact NH2-OE1 3.38Å; I378-E392 HydrophobicContact CB-CG 4Å; I378-E392 HydrophobicContact CG2-CG 4.46Å; I378-E392 PolarHBondContact N-O 3.07Å; I378-E392 PolarHBondContact O-N 2.94Å; I378-E392 VanDerWaalsContact O-N 3.15Å; E392-W401 HydrophobicContact CB-CE3 4.19Å; E392-W401 HydrophobicContact CG-CE3 3.85Å; E392-W401 HydrophobicContact CG-CZ3 3.84Å; E392-T402 CarbonylContact C-O 3.31Å; E392-T402 WeakPolarHBondContact CA-O 3.27Å
393	C	97.9	Very high	96.1	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.7	174.4	77.9	0	0	0	0	112	L376 Y377 W401 T402 Q404	L376-C393 CarbonylContact O-C 3.52Å; L376-C393 WeakPolarHBondContact O-CA 3.37Å; Y377-C393 HydrophobicContact CD1-CB 3.59Å; Y377-C393 HydrophobicContact CE1-CB 3.77Å; Y377-C393 HydrophobicContact CG-CB 4.04Å; C393-W401 CarbonylContact O-C 3.55Å; C393-W401 WeakPolarHBondContact O-CA 3.38Å; C393-T402 PolarHBondContact N-O 2.81Å; C393-T402 PolarHBondContact O-N 3.06Å; C393-T402 PolarHBondContact SG-OG1 2.83Å; C393-Q404 HydrophobicContact CB-CG 3.98Å; C393-Q404 PolarHBondContact SG-NE2 3.35Å
394	Y	98.5	Very high	96.2	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.4	177.4	179.5	-105.8	0	0	0	109.9	F329 F331 P358 L376 I396 K399 T400 W401	F329-Y394 HydrophobicContact CE1-CE1 4.43Å; F331-Y394 HydrophobicContact CZ-CD1 4.32Å; P358-Y394 HydrophobicContact CG-CE2 4.25Å; L376-Y394 HydrophobicContact CD1-CD1 4.07Å; L376-Y394 HydrophobicContact CG-CD1 4.36Å; L376-Y394 PolarHBondContact N-O 2.87Å; L376-Y394 PolarHBondContact O-N 3.18Å; Y394-I396 HydrophobicContact CD1-CG2 3.98Å; Y394-I396 HydrophobicContact CE1-CB 4.38Å; Y394-I396 HydrophobicContact CE1-CG2 4.01Å; Y394-K399 HydrophobicContact CE2-CB 4.35Å; Y394-K399 WeakPolarHBondContact OH-CA 3.19Å; Y394-K399 WeakPolarHBondContact OH-CB 3.21Å; Y394-T400 WeakPolarHBondContact CA-O 3.38Å; Y394-W401 AromaticContact CD2-CD1 3.97Å; Y394-W401 AromaticContact CD2-CD2 3.89Å; Y394-W401 HydrophobicContact CD2-CD2 3.89Å; Y394-W401 AromaticContact CD2-CE2 3.55Å; Y394-W401 HydrophobicContact CD2-CG 4.14Å; Y394-W401 AromaticContact CD2-CZ2 3.95Å; Y394-W401 HydrophobicContact CD2-CZ2 3.95Å; Y394-W401 AromaticContact CD2-NE1 3.61Å; Y394-W401 HydrophobicContact CG-CD2 4.36Å; Y394-W401 HydrophobicContact CG-CH2 4.3Å; Y394-W401 HydrophobicContact CG-CZ2 4.06Å
395	D	96.8	Very high	96.5	Very high	37 Å²	37	54 Å²	54	20%	0.198	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.9	168.8	175	-14.5	0	0	0	108.9	M375 Y397 S398 K399 T400	M375-D395 HydrophobicContact CE-CB 3.85Å; M375-D395 HydrophobicContact SD-CB 3.58Å; M375-D395 VanDerWaalsContact SD-CB 3.58Å; D395-Y397 VanDerWaalsContact C-N 3.27Å; D395-Y397 PolarHBondContact O-N 2.59Å; D395-Y397 WeakPolarHBondContact OD1-CA 3.46Å; D395-Y397 PolarHBondContact OD1-N 3.04Å; D395-S398 VanDerWaalsContact CB-OG 3.24Å; D395-S398 WeakPolarHBondContact CB-OG 3.17Å; D395-S398 PolarHBondContact OD1-N 2.83Å; D395-S398 VanDerWaalsContact OD2-CB 3.23Å; D395-S398 WeakPolarHBondContact OD2-CB 3.44Å; D395-S398 PolarHBondContact OD2-OG 2.69Å; D395-K399 WeakPolarHBondContact O-CA 3.4Å; D395-K399 PolarHBondContact O-N 3.1Å; D395-T400 PolarHBondContact N-O 2.82Å
396	I	96.7	Very high	96.7	Very high	19 Å²	19	48.3 Å²	48.3	10%	0.097	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.1	-177.1	64.9	-170.2	0	0	0	114.2	E325 F329 G374 L376 Y394	E325-I396 HydrophobicContact CB-CD1 4Å; E325-I396 HydrophobicContact CG-CD1 3.08Å; E325-I396 HydrophobicContact CG-CG1 4.44Å; F329-I396 HydrophobicContact CE1-CG2 3.88Å; F329-I396 HydrophobicContact CE2-CG2 4.26Å; F329-I396 HydrophobicContact CZ-CB 4.17Å; F329-I396 HydrophobicContact CZ-CG2 3.63Å; G374-I396 VanDerWaalsContact CA-CD1 3.43Å; G374-I396 WeakPolarHBondContact O-CD1 3.38Å; G374-I396 WeakPolarHBondContact O-CG1 3.37Å; G374-I396 WeakPolarHBondContact O-CG2 3.41Å; L376-I396 HydrophobicContact CD1-CG2 3.86Å; L376-I396 HydrophobicContact CD2-CG2 4.13Å; L376-I396 HydrophobicContact CG-CG2 3.76Å; Y394-I396 HydrophobicContact CD1-CG2 3.98Å; Y394-I396 HydrophobicContact CE1-CB 4.38Å; Y394-I396 HydrophobicContact CE1-CG2 4.01Å
397	Y	94.2	Very high	96.8	Very high	80 Å²	80	43.3 Å²	43.3	31%	0.314	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-49.8	-177.5	-54.1	-68.5	0	0	0	111.1	H147 H148 E325 D395 K399	H147-Y397 VanDerWaalsContact C-OH 3.26Å; H147-Y397 HydrophobicContact CB-CD1 3.46Å; H147-Y397 VanDerWaalsContact CB-CD1 3.46Å; H147-Y397 HydrophobicContact CB-CD2 4Å; H147-Y397 HydrophobicContact CB-CE1 3.23Å; H147-Y397 HydrophobicContact CB-CE2 3.75Å; H147-Y397 HydrophobicContact CB-CG 3.84Å; H147-Y397 AromaticContact CD2-CD1 3.94Å; H147-Y397 AromaticContact CD2-CG 3.81Å; H147-Y397 AromaticContact CG-CD1 3.8Å; H147-Y397 PolarHBondContact O-OH 2.96Å; H148-Y397 WeakPolarHBondContact CA-OH 3.18Å; H148-Y397 HydrophobicContact CB-CE2 4.5Å; H148-Y397 PolarHBondContact N-OH 3.27Å; H148-Y397 VanDerWaalsContact N-OH 3.08Å; E325-Y397 HydrophobicContact CG-CE1 4.45Å; E325-Y397 WeakPolarHBondContact CG-OH 3.27Å; E325-Y397 PolarHBondContact OE2-OH 3.41Å; D395-Y397 VanDerWaalsContact C-N 3.27Å; D395-Y397 PolarHBondContact O-N 2.59Å; D395-Y397 WeakPolarHBondContact OD1-CA 3.46Å; D395-Y397 PolarHBondContact OD1-N 3.04Å; Y397-K399 PolarHBondContact O-N 3.36Å
398	S	94	Very high	96.8	Very high	60 Å²	60	46.5 Å²	46.5	42%	0.42	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.6	174.8	72.4	0	0	0	0	112.6	D395 T400	D395-S398 VanDerWaalsContact CB-OG 3.24Å; D395-S398 WeakPolarHBondContact CB-OG 3.17Å; D395-S398 PolarHBondContact OD1-N 2.83Å; D395-S398 VanDerWaalsContact OD2-CB 3.23Å; D395-S398 WeakPolarHBondContact OD2-CB 3.44Å; D395-S398 PolarHBondContact OD2-OG 2.69Å; S398-T400 VanDerWaalsContact C-N 3.26Å; S398-T400 PolarHBondContact O-N 2.64Å; S398-T400 PolarHBondContact OG-OG1 2.83Å
399	K	95.8	Very high	96.7	Very high	135 Å²	135	48.8 Å²	48.8	59%	0.587	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	37.6	-178.3	-53.5	178.5	-175.4	174.2	0	112.4	Y394 D395 Y397	Y394-K399 HydrophobicContact CE2-CB 4.35Å; Y394-K399 WeakPolarHBondContact OH-CA 3.19Å; Y394-K399 WeakPolarHBondContact OH-CB 3.21Å; D395-K399 WeakPolarHBondContact O-CA 3.4Å; D395-K399 PolarHBondContact O-N 3.1Å; Y397-K399 PolarHBondContact O-N 3.36Å
400	T	97.1	Very high	96.6	Very high	69 Å²	69	47.4 Å²	47.4	42%	0.423	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.9	-178.3	62.5	0	0	0	0	111.7	Y394 D395 S398	Y394-T400 WeakPolarHBondContact CA-O 3.38Å; D395-T400 PolarHBondContact N-O 2.82Å; S398-T400 VanDerWaalsContact C-N 3.26Å; S398-T400 PolarHBondContact O-N 2.64Å; S398-T400 PolarHBondContact OG-OG1 2.83Å
401	W	98.2	Very high	96.4	Very high	37 Å²	37	46.8 Å²	46.8	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.3	172.2	-71.6	99.3	0	0	0	110	F331 P358 P359 M360 I378 E392 C393 Y394	F331-W401 HydrophobicContact CD1-CH2 4.24Å; F331-W401 AromaticContact CD1-CZ2 3.95Å; F331-W401 HydrophobicContact CD1-CZ2 3.95Å; F331-W401 HydrophobicContact CE1-CH2 4.03Å; F331-W401 AromaticContact CE1-CZ2 3.49Å; F331-W401 HydrophobicContact CE1-CZ2 3.49Å; F331-W401 VanDerWaalsContact CE1-CZ2 3.49Å; F331-W401 HydrophobicContact CZ-CH2 4.22Å; F331-W401 AromaticContact CZ-CZ2 3.93Å; F331-W401 HydrophobicContact CZ-CZ2 3.93Å; P358-W401 PolarHBondContact O-NE1 3.46Å; P359-W401 PolarHBondContact O-NE1 2.84Å; P359-W401 VanDerWaalsContact O-NE1 3.08Å; M360-W401 HydrophobicContact CB-CZ2 4.4Å; M360-W401 HydrophobicContact CG-CH2 3.57Å; M360-W401 HydrophobicContact CG-CZ2 3.63Å; M360-W401 HydrophobicContact CG-CZ3 4.26Å; M360-W401 HydrophobicContact SD-CH2 4.47Å; I378-W401 HydrophobicContact CB-CZ3 4.48Å; I378-W401 HydrophobicContact CD1-CH2 4.36Å; I378-W401 HydrophobicContact CG1-CH2 3.71Å; I378-W401 HydrophobicContact CG1-CZ3 3.58Å; E392-W401 HydrophobicContact CB-CE3 4.19Å; E392-W401 HydrophobicContact CG-CE3 3.85Å; E392-W401 HydrophobicContact CG-CZ3 3.84Å; C393-W401 CarbonylContact O-C 3.55Å; C393-W401 WeakPolarHBondContact O-CA 3.38Å; Y394-W401 AromaticContact CD2-CD1 3.97Å; Y394-W401 AromaticContact CD2-CD2 3.89Å; Y394-W401 HydrophobicContact CD2-CD2 3.89Å; Y394-W401 AromaticContact CD2-CE2 3.55Å; Y394-W401 HydrophobicContact CD2-CG 4.14Å; Y394-W401 AromaticContact CD2-CZ2 3.95Å; Y394-W401 HydrophobicContact CD2-CZ2 3.95Å; Y394-W401 AromaticContact CD2-NE1 3.61Å; Y394-W401 HydrophobicContact CG-CD2 4.36Å; Y394-W401 HydrophobicContact CG-CH2 4.3Å; Y394-W401 HydrophobicContact CG-CZ2 4.06Å
402	T	97.3	Very high	95.9	Very high	61 Å²	61	49.2 Å²	49.2	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.9	171.4	66	0	0	0	0	110.7	E392 C393 Q404	E392-T402 CarbonylContact C-O 3.31Å; E392-T402 WeakPolarHBondContact CA-O 3.27Å; C393-T402 PolarHBondContact N-O 2.81Å; C393-T402 PolarHBondContact O-N 3.06Å; C393-T402 PolarHBondContact SG-OG1 2.83Å; T402-Q404 PolarHBondContact OG1-NE2 3.24Å
403	K	97.6	Very high	95.6	Very high	153 Å²	153	51.1 Å²	51.1	67%	0.665	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	141.5	175.3	-175.7	173.7	-179.3	179.4	0	109.7
404	Q	97.3	Very high	95.2	Very high	25 Å²	25	51.6 Å²	51.6	12%	0.117	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	167	176.6	-61.4	-65.9	-45.2	0	0	110.6	Y377 M391 C393 T402 D406 Y441	Y377-Q404 HydrophobicContact CD1-CG 4.4Å; Y377-Q404 HydrophobicContact CE1-CG 4.4Å; M391-Q404 HydrophobicContact CB-CB 4.08Å; M391-Q404 HydrophobicContact CE-CB 3.33Å; M391-Q404 HydrophobicContact CE-CG 4.16Å; M391-Q404 HydrophobicContact CG-CB 3.88Å; M391-Q404 PolarHBondContact O-N 2.85Å; M391-Q404 HydrophobicContact SD-CB 4.4Å; C393-Q404 HydrophobicContact CB-CG 3.98Å; C393-Q404 PolarHBondContact SG-NE2 3.35Å; T402-Q404 PolarHBondContact OG1-NE2 3.24Å; Q404-D406 PolarHBondContact O-N 2.79Å; Q404-Y441 PolarHBondContact OE1-OH 3.04Å
405	P	96.8	Very high	95	Very high	41 Å²	41	51.7 Å²	51.7	27%	0.266	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-58.5	130.5	174	-24.2	34.8	0	0	0	112.2	M391 Y441 Q446 W448	M391-P405 WeakPolarHBondContact CE-O 3.31Å; P405-Y441 HydrophobicContact CB-CE2 4.36Å; P405-Y441 WeakPolarHBondContact CD-OH 3.32Å; P405-Y441 HydrophobicContact CG-CE2 4.04Å; P405-Q446 HydrophobicContact CG-CB 3.96Å; P405-W448 PolarHBondContact O-NE1 2.77Å
406	D	97.5	Very high	95.1	Very high	65 Å²	65	50.9 Å²	50.9	35%	0.348	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-59.5	151.4	-180	-59.4	-19.6	0	0	0	111.4	I389 S390 Q404 W448	I389-D406 HydrophobicContact CD1-CB 4.14Å; I389-D406 HydrophobicContact CG1-CB 4.13Å; I389-D406 CarbonylContact O-C 3.35Å; I389-D406 WeakPolarHBondContact O-CA 3.46Å; S390-D406 WeakPolarHBondContact CA-OD1 3.43Å; Q404-D406 PolarHBondContact O-N 2.79Å; D406-W448 PolarHBondContact O-NE1 3.24Å; D406-W448 VanDerWaalsContact O-NE1 3.12Å
407	L	96.1	Very high	95.1	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-53.7	147.3	167.4	-72.1	163.7	0	0	0	110.2	L379 I389 M409 A425 W448	L379-L407 HydrophobicContact CB-CD1 4.31Å; L379-L407 HydrophobicContact CD2-CD2 4.23Å; I389-L407 HydrophobicContact CB-CB 4.16Å; I389-L407 WeakPolarHBondContact O-CB 3.23Å; I389-L407 PolarHBondContact O-N 2.97Å; L407-M409 PolarHBondContact O-N 2.8Å; L407-A425 HydrophobicContact CD2-CB 3.92Å; L407-W448 HydrophobicContact CD2-CH2 3.41Å; L407-W448 VanDerWaalsContact CD2-CH2 3.41Å; L407-W448 HydrophobicContact CD2-CZ2 3.52Å; L407-W448 HydrophobicContact CD2-CZ3 4.05Å; L407-W448 HydrophobicContact CG-CZ2 4.25Å
408	T	94.9	Very high	95.3	Very high	99 Å²	99	48 Å²	48	61%	0.607	26%	0.259	S	S	*	.	S	Bend	trans	-71.2	-17.8	179.3	64.6	0	0	0	0	113.3	E439 W448	T408-E439 VanDerWaalsContact CB-OE2 3.3Å; T408-E439 WeakPolarHBondContact CB-OE2 3.34Å; T408-E439 WeakPolarHBondContact CG2-OE2 3.42Å; T408-E439 PolarHBondContact N-OE2 2.87Å; T408-E439 PolarHBondContact OG1-OE1 3Å; T408-E439 PolarHBondContact OG1-OE2 3.16Å; T408-W448 HydrophobicContact CG2-CB 3.72Å; T408-W448 HydrophobicContact CG2-CG 4.17Å
409	M	94	Very high	95.4	Very high	53 Å²	53	45.4 Å²	45.4	26%	0.261	24%	0.24	S	C	.	.	S	Bend	trans	-155.3	161.6	177.8	62.9	179.7	-63.6	0	0	112.4	L407 R411 F435 S437	L407-M409 PolarHBondContact O-N 2.8Å; M409-R411 HydrophobicContact CG-CG 4.31Å; M409-F435 HydrophobicContact CE-CD1 3.76Å; M409-F435 HydrophobicContact CE-CD2 3.54Å; M409-F435 HydrophobicContact CE-CE1 3.71Å; M409-F435 HydrophobicContact CE-CE2 3.5Å; M409-F435 HydrophobicContact CE-CG 3.68Å; M409-F435 HydrophobicContact CE-CZ 3.59Å; M409-S437 PolarHBondContact SD-OG 3.42Å
410	V	94.7	Very high	95.3	Very high	33 Å²	33	44.6 Å²	44.6	20%	0.2	24%	0.236	C	C	.	.			trans	-65.6	135.2	172.9	175	0	0	0	0	110.9	E387 I389 F435	E387-V410 HydrophobicContact CB-CG1 3.54Å; E387-V410 HydrophobicContact CB-CG2 4.24Å; E387-V410 HydrophobicContact CG-CG1 4.23Å; E387-V410 WeakPolarHBondContact OE2-CG1 3.28Å; I389-V410 HydrophobicContact CG2-CB 4.3Å; I389-V410 HydrophobicContact CG2-CG2 3.58Å; V410-F435 VanDerWaalsContact O-CE2 3.29Å; V410-F435 WeakPolarHBondContact O-CE2 3.44Å
411	R	93.7	Very high	95.1	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.011	23%	0.23	C	C	.	.			trans	-139.3	62.3	178.3	-62.5	178.4	-179.8	-82.6	0.5	111.2	M409 I413 G414 Y416 G427 S437 E439	M409-R411 HydrophobicContact CG-CG 4.31Å; R411-I413 PolarHBondContact O-N 2.78Å; R411-G414 PolarHBondContact O-N 3.42Å; R411-Y416 PolarHBondContact O-OH 3.02Å; R411-G427 PolarHBondContact NH1-O 2.81Å; R411-S437 PolarHBondContact NH1-O 3.16Å; R411-S437 PolarHBondContact NH1-OG 2.87Å; R411-S437 VanDerWaalsContact NH1-OG 3.09Å; R411-S437 PolarHBondContact NH2-OG 3.24Å; R411-S437 VanDerWaalsContact NH2-OG 3.1Å; R411-E439 IonicContact CZ-OE1 3.76Å; R411-E439 IonicContact NE-OE1 3.94Å; R411-E439 PolarHBondContact NE-OE1 2.86Å; R411-E439 IonicContact NH2-OE1 3.94Å; R411-E439 PolarHBondContact NH2-OE1 3.3Å
412	K	88.1	Confident	95.1	Very high	54 Å²	54	46 Å²	46	24%	0.235	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-58.3	127.1	176	175.6	173.6	168.7	157.8	0	109.4	E382 G414 G429 F459	E382-K412 VanDerWaalsContact CD-NZ 3.27Å; E382-K412 WeakPolarHBondContact OE1-CE 3.23Å; E382-K412 IonicContact OE1-NZ 3.97Å; E382-K412 PolarHBondContact OE1-NZ 3.13Å; E382-K412 WeakPolarHBondContact OE2-CE 3.42Å; E382-K412 IonicContact OE2-NZ 2.73Å; E382-K412 PolarHBondContact OE2-NZ 3.21Å; K412-G414 PolarHBondContact O-N 2.93Å; K412-G429 WeakPolarHBondContact CB-O 3.13Å; K412-G429 PolarHBondContact N-O 2.94Å; K412-G429 PolarHBondContact O-N 2.86Å; K412-G429 VanDerWaalsContact O-N 3.11Å; K412-F459 HydrophobicContact CG-CE2 4.25Å; K412-F459 VanDerWaalsContact O-CD2 3.26Å; K412-F459 WeakPolarHBondContact O-CD2 3.33Å; K412-F459 VanDerWaalsContact O-CE2 3.31Å; K412-F459 WeakPolarHBondContact O-CE2 3.21Å
413	I	90.5	Very high	95.1	Very high	44 Å²	44	43.1 Å²	43.1	23%	0.226	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	44	-174.9	-45.8	177.6	0	0	0	111.4	N366 R411 F459 G460	N366-I413 HydrophobicContact CB-CD1 4.3Å; N366-I413 HydrophobicContact CB-CG1 3.59Å; N366-I413 PolarHBondContact O-N 3.32Å; R411-I413 PolarHBondContact O-N 2.78Å; I413-F459 HydrophobicContact CB-CD2 3.92Å; I413-F459 HydrophobicContact CB-CE1 4.23Å; I413-F459 HydrophobicContact CB-CE2 3.51Å; I413-F459 HydrophobicContact CB-CG 4.47Å; I413-F459 HydrophobicContact CB-CZ 3.71Å; I413-F459 HydrophobicContact CD1-CE1 3.76Å; I413-F459 HydrophobicContact CD1-CE2 3.81Å; I413-F459 HydrophobicContact CD1-CZ 3.15Å; I413-F459 HydrophobicContact CG1-CE1 4.47Å; I413-F459 HydrophobicContact CG1-CE2 3.81Å; I413-F459 HydrophobicContact CG1-CZ 3.71Å; I413-F459 HydrophobicContact CG2-CE1 4.45Å; I413-F459 HydrophobicContact CG2-CZ 4.39Å; I413-G460 VanDerWaalsContact CG2-CA 3.45Å; I413-G460 PolarHBondContact O-N 3.27Å
414	G	90.2	Very high	95.1	Very high	11 Å²	11	36.3 Å²	36.3	11%	0.113	19%	0.19	C	C	.	.			trans	-72.2	170.9	166.2	0	0	0	0	0	112.1	R411 K412 Y416	R411-G414 PolarHBondContact O-N 3.42Å; K412-G414 PolarHBondContact O-N 2.93Å; G414-Y416 WeakPolarHBondContact O-CE2 3.33Å
415	C	94.6	Very high	95.2	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.027	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.4	170.9	59.1	0	0	0	0	111.3	M426 A461 A463	C415-M426 PolarHBondContact N-O 2.86Å; C415-M426 PolarHBondContact O-N 2.89Å; C415-M426 WeakPolarHBondContact SG-CB 3.34Å; C415-M426 PolarHBondContact SG-O 2.87Å; C415-A461 HydrophobicContact CB-CB 4.1Å; C415-A461 WeakPolarHBondContact CB-O 3.22Å; C415-A463 HydrophobicContact CB-CB 4.04Å
416	Y	97.2	Very high	95.2	Very high	20 Å²	20	33.2 Å²	33.2	8%	0.078	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.5	-171.9	-54.6	-93.9	0	0	0	109.9	G368 L379 R411 G414 Y424 A425	G368-Y416 VanDerWaalsContact CA-CE2 3.4Å; L379-Y416 HydrophobicContact CB-CD1 4.2Å; L379-Y416 HydrophobicContact CB-CE1 3.88Å; L379-Y416 HydrophobicContact CD1-CD1 4.35Å; L379-Y416 HydrophobicContact CD2-CD1 4.28Å; L379-Y416 HydrophobicContact CD2-CE1 4.42Å; R411-Y416 PolarHBondContact O-OH 3.02Å; G414-Y416 WeakPolarHBondContact O-CE2 3.33Å; Y416-Y424 VanDerWaalsContact CA-O 3.27Å; Y416-Y424 WeakPolarHBondContact CA-O 3.34Å; Y416-A425 HydrophobicContact CD1-CB 3.74Å; Y416-A425 HydrophobicContact CE1-CB 3.65Å
417	A	97.7	Very high	95.1	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.2	176	0	0	0	0	0	111.4	Y424 M426 A463 L470	A417-Y424 PolarHBondContact N-O 2.89Å; A417-Y424 VanDerWaalsContact N-O 3.16Å; A417-Y424 PolarHBondContact O-N 2.83Å; A417-M426 HydrophobicContact CB-CE 4.1Å; A417-A463 HydrophobicContact CB-CB 3.87Å; A417-L470 HydrophobicContact CB-CD2 3.8Å
418	A	97.6	Very high	95	Very high	33 Å²	33	30 Å²	30	27%	0.273	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	141	167.4	0	0	0	0	0	111.1	V370 I372 K422 G465	V370-A418 HydrophobicContact CG1-CB 3.44Å; V370-A418 VanDerWaalsContact CG1-CB 3.44Å; I372-A418 HydrophobicContact CG1-CB 4.16Å; A418-K422 CarbonylContact C-O 3.59Å; A418-K422 VanDerWaalsContact CA-O 3.25Å; A418-K422 WeakPolarHBondContact CA-O 3.35Å; A418-G465 WeakPolarHBondContact O-CA 3.3Å
419	M	96.2	Very high	94.9	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.025	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132.5	164.3	176.9	-174.5	69.9	0	0	108.5	K421 K422 Y424 A467 M468 E469 L470 Y495 D497	M419-K421 VanDerWaalsContact C-N 3.34Å; M419-K421 PolarHBondContact O-N 2.83Å; M419-K422 PolarHBondContact N-O 2.83Å; M419-K422 WeakPolarHBondContact O-CB 3.3Å; M419-K422 PolarHBondContact O-N 3.4Å; M419-Y424 HydrophobicContact CB-CD2 4.2Å; M419-Y424 HydrophobicContact CB-CE2 3.76Å; M419-Y424 HydrophobicContact CE-CE1 4.25Å; M419-Y424 HydrophobicContact CE-CE2 3.87Å; M419-Y424 WeakPolarHBondContact CE-OH 3.33Å; M419-A467 WeakPolarHBondContact CG-O 3.38Å; M419-M468 VanDerWaalsContact SD-O 3.34Å; M419-E469 PolarHBondContact SD-N 2.82Å; M419-E469 VanDerWaalsContact SD-N 3.42Å; M419-L470 HydrophobicContact CB-CD2 3.6Å; M419-L470 HydrophobicContact CB-CG 3.97Å; M419-L470 HydrophobicContact CE-CD1 3.98Å; M419-L470 HydrophobicContact CE-CG 4.07Å; M419-L470 HydrophobicContact CG-CG 4.5Å; M419-L470 HydrophobicContact SD-CD1 4.39Å; M419-L470 HydrophobicContact SD-CD2 4.48Å; M419-L470 HydrophobicContact SD-CG 3.82Å; M419-Y495 HydrophobicContact CE-CD1 4.19Å; M419-Y495 HydrophobicContact CE-CE1 4.11Å; M419-D497 HydrophobicContact CE-CB 4.04Å; M419-D497 HydrophobicContact SD-CB 4.41Å
420	K	93.3	Very high	94.8	Very high	118 Å²	118	24 Å²	24	51%	0.513	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	48.7	-179.4	-64.6	178.9	60.1	172.9	0	113.5	K422 D497	K420-K422 PolarHBondContact O-N 2.87Å; K420-K422 VanDerWaalsContact O-N 3.16Å; K420-D497 WeakPolarHBondContact CD-OD2 3.45Å; K420-D497 IonicContact NZ-OD2 2.64Å; K420-D497 PolarHBondContact NZ-OD2 3Å
421	K	94.5	Very high	94.4	Very high	68 Å²	68	31.8 Å²	31.8	30%	0.296	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	28.6	-179.5	-54.3	-173	173.7	-156.1	0	113.8	E126 I372 D373 M419 P443	E126-K421 IonicContact OE1-NZ 3.1Å; E126-K421 IonicContact OE2-NZ 2.83Å; E126-K421 PolarHBondContact OE2-NZ 2.94Å; I372-K421 HydrophobicContact CG2-CB 3.79Å; I372-K421 HydrophobicContact CG2-CG 4.12Å; D373-K421 VanDerWaalsContact CG-NZ 3.33Å; D373-K421 WeakPolarHBondContact OD1-CE 3.44Å; D373-K421 IonicContact OD1-NZ 2.73Å; D373-K421 PolarHBondContact OD1-NZ 3.02Å; D373-K421 VanDerWaalsContact OD2-CD 3.26Å; D373-K421 WeakPolarHBondContact OD2-CD 3.46Å; D373-K421 WeakPolarHBondContact OD2-CE 3.13Å; D373-K421 IonicContact OD2-NZ 2.78Å; D373-K421 PolarHBondContact OD2-NZ 2.62Å; M419-K421 VanDerWaalsContact C-N 3.34Å; M419-K421 PolarHBondContact O-N 2.83Å; K421-P443 WeakPolarHBondContact O-CD 3.29Å
422	K	97.2	Very high	93.9	Very high	68 Å²	68	35.6 Å²	35.6	30%	0.296	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.4	174.7	-63.3	-173.2	-177	-151.4	0	110.8	A418 M419 K420 Y424 Y441 D442	A418-K422 CarbonylContact C-O 3.59Å; A418-K422 VanDerWaalsContact CA-O 3.25Å; A418-K422 WeakPolarHBondContact CA-O 3.35Å; M419-K422 PolarHBondContact N-O 2.83Å; M419-K422 WeakPolarHBondContact O-CB 3.3Å; M419-K422 PolarHBondContact O-N 3.4Å; K420-K422 PolarHBondContact O-N 2.87Å; K420-K422 VanDerWaalsContact O-N 3.16Å; K422-Y424 HydrophobicContact CB-CE2 3.94Å; K422-Y441 WeakPolarHBondContact CA-O 3.41Å; K422-Y441 WeakPolarHBondContact CB-O 3.41Å; K422-D442 HydrophobicContact CD-CB 4.31Å; K422-D442 WeakPolarHBondContact CE-OD2 3.46Å; K422-D442 HydrophobicContact CG-CB 4.48Å; K422-D442 IonicContact NZ-OD2 3.59Å; K422-D442 PolarHBondContact NZ-OD2 2.88Å
423	I	98.1	Very high	94	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131	-178.7	-49.4	174.6	0	0	0	108.9	V370 I372 Y377 L379 C440 Y441	V370-I423 HydrophobicContact CB-CG2 4.2Å; V370-I423 HydrophobicContact CG1-CG1 4.24Å; V370-I423 HydrophobicContact CG1-CG2 4.29Å; V370-I423 HydrophobicContact CG2-CG2 3.98Å; I372-I423 HydrophobicContact CD1-CD1 4.21Å; I372-I423 HydrophobicContact CD1-CG1 3.48Å; I372-I423 VanDerWaalsContact CD1-CG1 3.48Å; Y377-I423 VanDerWaalsContact CB-CD1 3.5Å; Y377-I423 HydrophobicContact CD1-CD1 3.6Å; Y377-I423 HydrophobicContact CD2-CD1 3.72Å; Y377-I423 HydrophobicContact CE1-CD1 4.24Å; Y377-I423 HydrophobicContact CE2-CD1 4.34Å; Y377-I423 HydrophobicContact CG-CD1 3.31Å; L379-I423 HydrophobicContact CD1-CG2 4.32Å; L379-I423 HydrophobicContact CD2-CG2 3.9Å; I423-C440 CarbonylContact O-C 3.56Å; I423-C440 VanDerWaalsContact O-CA 3.28Å; I423-C440 WeakPolarHBondContact O-CA 3.21Å; I423-Y441 HydrophobicContact CD1-CD1 3.83Å; I423-Y441 HydrophobicContact CD1-CE1 4.49Å; I423-Y441 HydrophobicContact CG1-CD1 4.3Å; I423-Y441 PolarHBondContact N-O 3.07Å; I423-Y441 PolarHBondContact O-N 3.32Å
424	Y	97.8	Very high	94.1	Very high	11 Å²	11	38.6 Å²	38.6	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.1	176.2	-67	-98.7	0	0	0	109.1	Y416 A417 M419 K422 E439 C440 I451 L470	Y416-Y424 VanDerWaalsContact CA-O 3.27Å; Y416-Y424 WeakPolarHBondContact CA-O 3.34Å; A417-Y424 PolarHBondContact N-O 2.89Å; A417-Y424 VanDerWaalsContact N-O 3.16Å; A417-Y424 PolarHBondContact O-N 2.83Å; M419-Y424 HydrophobicContact CB-CD2 4.2Å; M419-Y424 HydrophobicContact CB-CE2 3.76Å; M419-Y424 HydrophobicContact CE-CE1 4.25Å; M419-Y424 HydrophobicContact CE-CE2 3.87Å; M419-Y424 WeakPolarHBondContact CE-OH 3.33Å; K422-Y424 HydrophobicContact CB-CE2 3.94Å; Y424-E439 WeakPolarHBondContact CA-O 3.18Å; Y424-C440 HydrophobicContact CD1-CB 3.97Å; Y424-C440 HydrophobicContact CE1-CB 3.79Å; Y424-C440 VanDerWaalsContact CZ-SG 3.57Å; Y424-I451 HydrophobicContact CD1-CD1 3.75Å; Y424-I451 HydrophobicContact CE1-CD1 3.71Å; Y424-L470 HydrophobicContact CD1-CD1 3.45Å; Y424-L470 VanDerWaalsContact CD1-CD1 3.45Å; Y424-L470 HydrophobicContact CD2-CD1 3.72Å; Y424-L470 HydrophobicContact CD2-CD2 3.99Å; Y424-L470 HydrophobicContact CD2-CG 4.42Å; Y424-L470 HydrophobicContact CE1-CD1 3.78Å; Y424-L470 HydrophobicContact CE2-CD1 4.07Å; Y424-L470 HydrophobicContact CG-CD1 3.41Å; Y424-L470 VanDerWaalsContact CG-CD1 3.41Å; Y424-L470 HydrophobicContact CG-CD2 4.26Å; Y424-L470 HydrophobicContact CG-CG 4.46Å
425	A	97.7	Very high	94.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.9	173.9	0	0	0	0	0	109.2	L407 Y416 V438 E439 W448	L407-A425 HydrophobicContact CD2-CB 3.92Å; Y416-A425 HydrophobicContact CD1-CB 3.74Å; Y416-A425 HydrophobicContact CE1-CB 3.65Å; A425-V438 WeakPolarHBondContact O-CA 3.35Å; A425-E439 HydrophobicContact CB-CG 3.91Å; A425-E439 PolarHBondContact N-O 2.95Å; A425-E439 PolarHBondContact O-N 2.9Å; A425-W448 HydrophobicContact CB-CH2 4.21Å; A425-W448 HydrophobicContact CB-CZ3 4Å
426	M	96.9	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.7	-163.2	-69.8	164	-71.8	0	0	110.9	C415 A417 V438 L454 A463 V472 W502	C415-M426 PolarHBondContact N-O 2.86Å; C415-M426 PolarHBondContact O-N 2.89Å; C415-M426 WeakPolarHBondContact SG-CB 3.34Å; C415-M426 PolarHBondContact SG-O 2.87Å; A417-M426 HydrophobicContact CB-CE 4.1Å; M426-V438 HydrophobicContact CB-CG2 4.23Å; M426-V438 HydrophobicContact CG-CB 4.18Å; M426-V438 HydrophobicContact CG-CG1 3.43Å; M426-V438 VanDerWaalsContact CG-CG1 3.43Å; M426-V438 HydrophobicContact CG-CG2 3.79Å; M426-L454 HydrophobicContact CB-CD1 4.21Å; M426-A463 HydrophobicContact CE-CB 3.51Å; M426-V472 HydrophobicContact CE-CG2 4.49Å; M426-V472 HydrophobicContact SD-CG2 3.77Å; M426-W502 HydrophobicContact CG-CZ2 4.4Å; M426-W502 HydrophobicContact SD-CH2 3.54Å; M426-W502 VanDerWaalsContact SD-CH2 3.54Å; M426-W502 HydrophobicContact SD-CZ2 3.9Å
427	G	95.6	Very high	94.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.			trans	58.4	-141	175.3	0	0	0	0	0	113.8	R411 F435 S437	R411-G427 PolarHBondContact NH1-O 2.81Å; G427-F435 WeakPolarHBondContact CA-O 3.41Å; G427-S437 PolarHBondContact N-O 2.93Å
428	G	94.8	Very high	94.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	23%	0.225	C	C	.	.			trans	92.1	-163.1	-173.5	0	0	0	0	0	112.1	F435 R458	G428-F435 PolarHBondContact O-N 3.33Å; G428-R458 PolarHBondContact N-O 2.86Å
429	G	92.1	Very high	94.2	Very high	4 Å²	4	41.7 Å²	41.7	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	177.8	178.1	0	0	0	0	0	114.1	K412 K433	K412-G429 WeakPolarHBondContact CB-O 3.13Å; K412-G429 PolarHBondContact N-O 2.94Å; K412-G429 PolarHBondContact O-N 2.86Å; K412-G429 VanDerWaalsContact O-N 3.11Å; G429-K433 CarbonylContact C-O 3.56Å; G429-K433 WeakPolarHBondContact CA-O 3.41Å
430	S	92.5	Very high	94.2	Very high	23 Å²	23	42 Å²	42	16%	0.161	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	133.3	172.9	173.5	0	0	0	0	108.6	E387 G432 K433	E387-S430 WeakPolarHBondContact OE2-CB 3.3Å; E387-S430 PolarHBondContact OE2-OG 3.32Å; S430-G432 VanDerWaalsContact C-N 3.3Å; S430-G432 PolarHBondContact O-N 3.3Å; S430-G432 VanDerWaalsContact O-N 3.08Å; S430-K433 PolarHBondContact N-O 3.5Å; S430-K433 WeakPolarHBondContact O-CB 3.47Å; S430-K433 PolarHBondContact O-N 2.97Å
431	Y	86.4	Confident	94.5	Very high	195 Å²	195	36.4 Å²	36.4	77%	0.765	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.6	47.9	177.7	-56.4	-71.8	0	0	0	115.5	E387 K433	E387-Y431 VanDerWaalsContact OE2-CE2 3.29Å; E387-Y431 WeakPolarHBondContact OE2-CE2 3.46Å; Y431-K433 VanDerWaalsContact C-N 3.3Å; Y431-K433 PolarHBondContact O-N 3.41Å
432	G	83.1	Confident	94.6	Very high	84 Å²	84	34.5 Å²	34.5	87%	0.866	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	-4.4	177.6	0	0	0	0	0	115.5	S430	S430-G432 VanDerWaalsContact C-N 3.3Å; S430-G432 PolarHBondContact O-N 3.3Å; S430-G432 VanDerWaalsContact O-N 3.08Å
433	K	89.9	Confident	94.4	Very high	128 Å²	128	32.5 Å²	32.5	56%	0.557	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.6	171.2	-172.8	173.4	175.1	-173.4	0	110.3	G429 S430 Y431 F435	G429-K433 CarbonylContact C-O 3.56Å; G429-K433 WeakPolarHBondContact CA-O 3.41Å; S430-K433 PolarHBondContact N-O 3.5Å; S430-K433 WeakPolarHBondContact O-CB 3.47Å; S430-K433 PolarHBondContact O-N 2.97Å; Y431-K433 VanDerWaalsContact C-N 3.3Å; Y431-K433 PolarHBondContact O-N 3.41Å; K433-F435 HydrophobicContact CB-CE1 4.36Å; K433-F435 HydrophobicContact CD-CD1 4.44Å; K433-F435 HydrophobicContact CD-CE1 3.64Å; K433-F435 HydrophobicContact CD-CZ 4.39Å; K433-F435 HydrophobicContact CG-CD1 4.27Å; K433-F435 HydrophobicContact CG-CE1 3.74Å; K433-F435 HydrophobicContact CG-CZ 4.41Å
434	L	91.8	Very high	94.1	Very high	33 Å²	33	40.1 Å²	40.1	17%	0.173	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	148	173.4	-56.1	-179.4	0	0	0	110.3	R457 F459 M487	L434-R457 HydrophobicContact CB-CB 3.75Å; L434-R457 WeakPolarHBondContact O-CD 3.33Å; L434-F459 HydrophobicContact CD2-CB 3.45Å; L434-F459 VanDerWaalsContact CD2-CB 3.45Å; L434-F459 HydrophobicContact CD2-CG 4.24Å; L434-M487 HydrophobicContact CD1-CE 4.36Å
435	F	94.6	Very high	93.8	Very high	25 Å²	25	43 Å²	43	11%	0.11	23%	0.226	C	C	.	.			trans	-117	149.4	-178.7	-55.2	-51.8	0	0	0	112.3	M409 V410 G427 G428 K433 R457 R458	M409-F435 HydrophobicContact CE-CD1 3.76Å; M409-F435 HydrophobicContact CE-CD2 3.54Å; M409-F435 HydrophobicContact CE-CE1 3.71Å; M409-F435 HydrophobicContact CE-CE2 3.5Å; M409-F435 HydrophobicContact CE-CG 3.68Å; M409-F435 HydrophobicContact CE-CZ 3.59Å; V410-F435 VanDerWaalsContact O-CE2 3.29Å; V410-F435 WeakPolarHBondContact O-CE2 3.44Å; G427-F435 WeakPolarHBondContact CA-O 3.41Å; G428-F435 PolarHBondContact O-N 3.33Å; K433-F435 HydrophobicContact CB-CE1 4.36Å; K433-F435 HydrophobicContact CD-CD1 4.44Å; K433-F435 HydrophobicContact CD-CE1 3.64Å; K433-F435 HydrophobicContact CD-CZ 4.39Å; K433-F435 HydrophobicContact CG-CD1 4.27Å; K433-F435 HydrophobicContact CG-CE1 3.74Å; K433-F435 HydrophobicContact CG-CZ 4.41Å; F435-R457 WeakPolarHBondContact O-CA 3.4Å; F435-R458 PolarHBondContact O-N 3.12Å; F435-R458 VanDerWaalsContact O-N 3.13Å
436	E	95.3	Very high	93.6	Very high	70 Å²	70	48.3 Å²	48.3	33%	0.327	25%	0.25	S	S	.	.			trans	-112.7	-6.1	169.4	65.3	-134.7	-178	0	0	111.5	P453 L454 R457	E436-P453 HydrophobicContact CB-CB 4.41Å; E436-P453 HydrophobicContact CG-CB 4Å; E436-P453 CarbonylContact O-C 3.5Å; E436-P453 VanDerWaalsContact O-CA 3.31Å; E436-P453 WeakPolarHBondContact O-CA 3.41Å; E436-P453 VanDerWaalsContact O-CB 3.27Å; E436-P453 WeakPolarHBondContact O-CB 3.39Å; E436-L454 HydrophobicContact CB-CB 4.38Å; E436-L454 PolarHBondContact O-N 2.85Å; E436-R457 HydrophobicContact CB-CG 4.02Å; E436-R457 HydrophobicContact CG-CG 4.44Å; E436-R457 IonicContact OE1-NE 3.06Å; E436-R457 IonicContact OE1-NH2 2.76Å; E436-R457 WeakPolarHBondContact OE2-CD 3.38Å; E436-R457 WeakPolarHBondContact OE2-CG 3.12Å; E436-R457 IonicContact OE2-CZ 3.95Å; E436-R457 IonicContact OE2-NE 3Å; E436-R457 PolarHBondContact OE2-NE 2.64Å; E436-R457 IonicContact OE2-NH2 2.71Å
437	S	96.5	Very high	93.6	Very high	36 Å²	36	54.2 Å²	54.2	25%	0.252	28%	0.278	S	S	.	.			trans	-62.8	145.4	-175.5	61.4	0	0	0	0	110.8	M409 R411 G427	M409-S437 PolarHBondContact SD-OG 3.42Å; R411-S437 PolarHBondContact NH1-O 3.16Å; R411-S437 PolarHBondContact NH1-OG 2.87Å; R411-S437 VanDerWaalsContact NH1-OG 3.09Å; R411-S437 PolarHBondContact NH2-OG 3.24Å; R411-S437 VanDerWaalsContact NH2-OG 3.1Å; G427-S437 PolarHBondContact N-O 2.93Å
438	V	97.4	Very high	93.6	Very high	4 Å²	4	56 Å²	56	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.4	174.9	-175.2	0	0	0	0	109	A425 M426 I451 L454 W502	A425-V438 WeakPolarHBondContact O-CA 3.35Å; M426-V438 HydrophobicContact CB-CG2 4.23Å; M426-V438 HydrophobicContact CG-CB 4.18Å; M426-V438 HydrophobicContact CG-CG1 3.43Å; M426-V438 VanDerWaalsContact CG-CG1 3.43Å; M426-V438 HydrophobicContact CG-CG2 3.79Å; V438-I451 HydrophobicContact CB-CD1 4.29Å; V438-I451 HydrophobicContact CB-CG1 3.77Å; V438-I451 HydrophobicContact CG1-CD1 3.56Å; V438-I451 HydrophobicContact CG1-CG1 3.46Å; V438-I451 VanDerWaalsContact CG1-CG1 3.46Å; V438-I451 PolarHBondContact O-N 3.23Å; V438-L454 HydrophobicContact CG2-CD2 4.27Å; V438-L454 HydrophobicContact CG2-CG 3.74Å; V438-W502 HydrophobicContact CG1-CZ2 4.47Å; V438-W502 HydrophobicContact CG2-CZ2 4.17Å
439	E	96.4	Very high	93.7	Very high	3 Å²	3	59.9 Å²	59.9	1%	0.014	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.4	174.1	61.6	-171.5	124.6	0	0	110.2	T408 R411 Y424 A425 W448 T449	T408-E439 VanDerWaalsContact CB-OE2 3.3Å; T408-E439 WeakPolarHBondContact CB-OE2 3.34Å; T408-E439 WeakPolarHBondContact CG2-OE2 3.42Å; T408-E439 PolarHBondContact N-OE2 2.87Å; T408-E439 PolarHBondContact OG1-OE1 3Å; T408-E439 PolarHBondContact OG1-OE2 3.16Å; R411-E439 IonicContact CZ-OE1 3.76Å; R411-E439 IonicContact NE-OE1 3.94Å; R411-E439 PolarHBondContact NE-OE1 2.86Å; R411-E439 IonicContact NH2-OE1 3.94Å; R411-E439 PolarHBondContact NH2-OE1 3.3Å; Y424-E439 WeakPolarHBondContact CA-O 3.18Å; A425-E439 HydrophobicContact CB-CG 3.91Å; A425-E439 PolarHBondContact N-O 2.95Å; A425-E439 PolarHBondContact O-N 2.9Å; E439-W448 HydrophobicContact CB-CE3 3.95Å; E439-W448 HydrophobicContact CB-CZ3 4.44Å; E439-W448 HydrophobicContact CG-CD2 4.5Å; E439-W448 HydrophobicContact CG-CE3 3.51Å; E439-W448 HydrophobicContact CG-CZ3 3.65Å; E439-T449 CarbonylContact C-O 3.57Å; E439-T449 WeakPolarHBondContact CA-O 3.49Å
440	C	97	Very high	93.9	Very high	11 Å²	11	63.9 Å²	63.9	7%	0.074	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.7	-178.2	178.6	0	0	0	0	108.7	I423 Y424 W448 T449 I451	I423-C440 CarbonylContact O-C 3.56Å; I423-C440 VanDerWaalsContact O-CA 3.28Å; I423-C440 WeakPolarHBondContact O-CA 3.21Å; Y424-C440 HydrophobicContact CD1-CB 3.97Å; Y424-C440 HydrophobicContact CE1-CB 3.79Å; Y424-C440 VanDerWaalsContact CZ-SG 3.57Å; C440-W448 CarbonylContact O-C 3.55Å; C440-W448 WeakPolarHBondContact O-CA 3.3Å; C440-T449 PolarHBondContact N-O 3.06Å; C440-T449 PolarHBondContact O-N 3.14Å; C440-I451 HydrophobicContact CB-CG2 4.15Å
441	Y	97.9	Very high	94	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.1	170.1	179.8	-112.1	0	0	0	110.1	Y377 M391 Q404 P405 K422 I423 P443 Q446 Q447 W448	Y377-Y441 HydrophobicContact CD1-CE1 4.48Å; Y377-Y441 HydrophobicContact CE1-CE1 4.12Å; M391-Y441 HydrophobicContact CE-CD1 3.83Å; M391-Y441 HydrophobicContact CE-CD2 4.06Å; M391-Y441 HydrophobicContact CE-CE1 3.53Å; M391-Y441 HydrophobicContact CE-CE2 3.8Å; M391-Y441 HydrophobicContact CE-CG 4.07Å; Q404-Y441 PolarHBondContact OE1-OH 3.04Å; P405-Y441 HydrophobicContact CB-CE2 4.36Å; P405-Y441 WeakPolarHBondContact CD-OH 3.32Å; P405-Y441 HydrophobicContact CG-CE2 4.04Å; K422-Y441 WeakPolarHBondContact CA-O 3.41Å; K422-Y441 WeakPolarHBondContact CB-O 3.41Å; I423-Y441 HydrophobicContact CD1-CD1 3.83Å; I423-Y441 HydrophobicContact CD1-CE1 4.49Å; I423-Y441 HydrophobicContact CG1-CD1 4.3Å; I423-Y441 PolarHBondContact N-O 3.07Å; I423-Y441 PolarHBondContact O-N 3.32Å; Y441-P443 HydrophobicContact CD1-CG 3.95Å; Y441-P443 HydrophobicContact CE1-CB 4.02Å; Y441-P443 HydrophobicContact CE1-CG 3.88Å; Y441-Q446 HydrophobicContact CE2-CB 4.46Å; Y441-Q447 WeakPolarHBondContact CA-O 3.49Å; Y441-W448 VanDerWaalsContact CB-CZ3 3.48Å; Y441-W448 AromaticContact CD2-CD1 3.94Å; Y441-W448 AromaticContact CD2-CD2 4Å; Y441-W448 HydrophobicContact CD2-CD2 4Å; Y441-W448 AromaticContact CD2-CE2 3.7Å; Y441-W448 HydrophobicContact CD2-CG 4.15Å; Y441-W448 HydrophobicContact CD2-CZ2 4.17Å; Y441-W448 AromaticContact CD2-NE1 3.66Å; Y441-W448 HydrophobicContact CG-CD2 4.3Å; Y441-W448 AromaticContact CG-CE2 3.98Å; Y441-W448 HydrophobicContact CG-CH2 4.36Å; Y441-W448 HydrophobicContact CG-CZ2 4.03Å
442	D	96.4	Very high	94.4	Very high	29 Å²	29	58 Å²	58	16%	0.155	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	106.9	172	-178.2	-36.7	0	0	0	108.6	K422 R444 T445 Q446 Q447	K422-D442 HydrophobicContact CD-CB 4.31Å; K422-D442 WeakPolarHBondContact CE-OD2 3.46Å; K422-D442 HydrophobicContact CG-CB 4.48Å; K422-D442 IonicContact NZ-OD2 3.59Å; K422-D442 PolarHBondContact NZ-OD2 2.88Å; D442-R444 PolarHBondContact O-N 3.47Å; D442-R444 VanDerWaalsContact OD1-CB 3.3Å; D442-R444 WeakPolarHBondContact OD1-CB 3.42Å; D442-R444 PolarHBondContact OD1-N 3.04Å; D442-T445 WeakPolarHBondContact CB-OG1 3.32Å; D442-T445 PolarHBondContact O-N 2.73Å; D442-T445 PolarHBondContact O-OG1 3.13Å; D442-T445 PolarHBondContact OD1-N 3Å; D442-Q446 WeakPolarHBondContact O-CA 3.3Å; D442-Q446 PolarHBondContact O-N 3.37Å; D442-Q447 PolarHBondContact N-O 3.28Å
443	P	94.8	Very high	95	Very high	25 Å²	25	57 Å²	57	16%	0.162	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.3	-178.8	-26.2	34.4	0	0	0	114.8	I372 Y377 K421 Y441 Q446	I372-P443 HydrophobicContact CD1-CG 3.85Å; Y377-P443 WeakPolarHBondContact OH-CB 3.47Å; K421-P443 WeakPolarHBondContact O-CD 3.29Å; Y441-P443 HydrophobicContact CD1-CG 3.95Å; Y441-P443 HydrophobicContact CE1-CB 4.02Å; Y441-P443 HydrophobicContact CE1-CG 3.88Å; P443-Q446 WeakPolarHBondContact O-CG 3.29Å
444	R	90.6	Very high	95.4	Very high	160 Å²	160	51.2 Å²	51.2	60%	0.604	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-40.7	-179.3	-175.8	-179.2	-179.1	133.1	1.8	111.8	E123 D442	E123-R444 IonicContact OE2-NH1 2.64Å; D442-R444 PolarHBondContact O-N 3.47Å; D442-R444 VanDerWaalsContact OD1-CB 3.3Å; D442-R444 WeakPolarHBondContact OD1-CB 3.42Å; D442-R444 PolarHBondContact OD1-N 3.04Å
445	T	91.9	Very high	95.5	Very high	72 Å²	72	54.6 Å²	54.6	44%	0.442	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-14.3	177.8	64.8	0	0	0	0	112.9	D442 Q447	D442-T445 WeakPolarHBondContact CB-OG1 3.32Å; D442-T445 PolarHBondContact O-N 2.73Å; D442-T445 PolarHBondContact O-OG1 3.13Å; D442-T445 PolarHBondContact OD1-N 3Å; T445-Q447 WeakPolarHBondContact O-CG 3.31Å; T445-Q447 PolarHBondContact O-N 2.62Å
446	Q	94	Very high	95.4	Very high	111 Å²	111	54.7 Å²	54.7	52%	0.519	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.9	-171.6	-60	-173.8	29.7	0	0	112.5	P405 Y441 D442 P443	P405-Q446 HydrophobicContact CG-CB 3.96Å; Y441-Q446 HydrophobicContact CE2-CB 4.46Å; D442-Q446 WeakPolarHBondContact O-CA 3.3Å; D442-Q446 PolarHBondContact O-N 3.37Å; P443-Q446 WeakPolarHBondContact O-CG 3.29Å
447	Q	95.6	Very high	95.3	Very high	124 Å²	124	57.6 Å²	57.6	58%	0.579	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.8	-177.9	-69.9	-177	0	0	0	112.3	Y441 D442 T445	Y441-Q447 WeakPolarHBondContact CA-O 3.49Å; D442-Q447 PolarHBondContact N-O 3.28Å; T445-Q447 WeakPolarHBondContact O-CG 3.31Å; T445-Q447 PolarHBondContact O-N 2.62Å
448	W	97.2	Very high	95.3	Very high	38 Å²	38	56 Å²	56	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.8	168.7	-71.7	100.1	0	0	0	110.4	L379 M391 P405 D406 L407 T408 A425 E439 C440 Y441	L379-W448 HydrophobicContact CD2-CH2 3.66Å; L379-W448 HydrophobicContact CD2-CZ2 3.98Å; M391-W448 HydrophobicContact CE-CZ2 4.08Å; M391-W448 HydrophobicContact SD-CZ2 3.81Å; P405-W448 PolarHBondContact O-NE1 2.77Å; D406-W448 PolarHBondContact O-NE1 3.24Å; D406-W448 VanDerWaalsContact O-NE1 3.12Å; L407-W448 HydrophobicContact CD2-CH2 3.41Å; L407-W448 VanDerWaalsContact CD2-CH2 3.41Å; L407-W448 HydrophobicContact CD2-CZ2 3.52Å; L407-W448 HydrophobicContact CD2-CZ3 4.05Å; L407-W448 HydrophobicContact CG-CZ2 4.25Å; T408-W448 HydrophobicContact CG2-CB 3.72Å; T408-W448 HydrophobicContact CG2-CG 4.17Å; A425-W448 HydrophobicContact CB-CH2 4.21Å; A425-W448 HydrophobicContact CB-CZ3 4Å; E439-W448 HydrophobicContact CB-CE3 3.95Å; E439-W448 HydrophobicContact CB-CZ3 4.44Å; E439-W448 HydrophobicContact CG-CD2 4.5Å; E439-W448 HydrophobicContact CG-CE3 3.51Å; E439-W448 HydrophobicContact CG-CZ3 3.65Å; C440-W448 CarbonylContact O-C 3.55Å; C440-W448 WeakPolarHBondContact O-CA 3.3Å; Y441-W448 VanDerWaalsContact CB-CZ3 3.48Å; Y441-W448 AromaticContact CD2-CD1 3.94Å; Y441-W448 AromaticContact CD2-CD2 4Å; Y441-W448 HydrophobicContact CD2-CD2 4Å; Y441-W448 AromaticContact CD2-CE2 3.7Å; Y441-W448 HydrophobicContact CD2-CG 4.15Å; Y441-W448 HydrophobicContact CD2-CZ2 4.17Å; Y441-W448 AromaticContact CD2-NE1 3.66Å; Y441-W448 HydrophobicContact CG-CD2 4.3Å; Y441-W448 AromaticContact CG-CE2 3.98Å; Y441-W448 HydrophobicContact CG-CH2 4.36Å; Y441-W448 HydrophobicContact CG-CZ2 4.03Å
449	T	95.9	Very high	95	Very high	83 Å²	83	58.4 Å²	58.4	51%	0.509	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.1	176.4	-58.9	0	0	0	0	109.8	E439 C440	E439-T449 CarbonylContact C-O 3.57Å; E439-T449 WeakPolarHBondContact CA-O 3.49Å; C440-T449 PolarHBondContact N-O 3.06Å; C440-T449 PolarHBondContact O-N 3.14Å
450	A	96	Very high	94.8	Very high	88 Å²	88	59.5 Å²	59.5	73%	0.727	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	135.5	172.2	0	0	0	0	0	110.5
451	I	94.6	Very high	94.7	Very high	41 Å²	41	59.3 Å²	59.3	21%	0.21	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-177.5	177	66.2	156.4	0	0	0	111.1	Y424 V438 C440 Y495	Y424-I451 HydrophobicContact CD1-CD1 3.75Å; Y424-I451 HydrophobicContact CE1-CD1 3.71Å; V438-I451 HydrophobicContact CB-CD1 4.29Å; V438-I451 HydrophobicContact CB-CG1 3.77Å; V438-I451 HydrophobicContact CG1-CD1 3.56Å; V438-I451 HydrophobicContact CG1-CG1 3.46Å; V438-I451 VanDerWaalsContact CG1-CG1 3.46Å; V438-I451 PolarHBondContact O-N 3.23Å; C440-I451 HydrophobicContact CB-CG2 4.15Å; I451-Y495 HydrophobicContact CD1-CE2 4.34Å
452	C	94.8	Very high	94.7	Very high	52 Å²	52	60.6 Å²	60.6	35%	0.351	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-52.6	126.4	179.9	-173.4	0	0	0	0	110.9	Y495 W502	C452-Y495 HydrophobicContact CB-CE2 4.47Å; C452-W502 PolarHBondContact O-NE1 2.99Å
453	P	96.8	Very high	94.7	Very high	64 Å²	64	60 Å²	60	42%	0.416	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-68.2	156.3	-179.4	28	-34.8	0	0	0	112.1	E436	E436-P453 HydrophobicContact CB-CB 4.41Å; E436-P453 HydrophobicContact CG-CB 4Å; E436-P453 CarbonylContact O-C 3.5Å; E436-P453 VanDerWaalsContact O-CA 3.31Å; E436-P453 WeakPolarHBondContact O-CA 3.41Å; E436-P453 VanDerWaalsContact O-CB 3.27Å; E436-P453 WeakPolarHBondContact O-CB 3.39Å
454	L	97.2	Very high	94.9	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-54.7	153.9	168.1	-65.9	170.7	0	0	0	110.5	M426 E436 V438 E456 R458 V472 E493 W502	M426-L454 HydrophobicContact CB-CD1 4.21Å; E436-L454 HydrophobicContact CB-CB 4.38Å; E436-L454 PolarHBondContact O-N 2.85Å; V438-L454 HydrophobicContact CG2-CD2 4.27Å; V438-L454 HydrophobicContact CG2-CG 3.74Å; L454-E456 VanDerWaalsContact C-N 3.26Å; L454-E456 PolarHBondContact O-N 3.02Å; L454-R458 HydrophobicContact CD1-CG 3.75Å; L454-V472 HydrophobicContact CD2-CG2 4.15Å; L454-E493 WeakPolarHBondContact CB-OE1 3.23Å; L454-E493 HydrophobicContact CD2-CG 4.42Å; L454-E493 WeakPolarHBondContact CD2-OE1 3.36Å; L454-W502 HydrophobicContact CD2-CD2 3.96Å; L454-W502 HydrophobicContact CD2-CE3 4.05Å; L454-W502 HydrophobicContact CD2-CH2 3.84Å; L454-W502 HydrophobicContact CD2-CZ2 3.7Å; L454-W502 HydrophobicContact CD2-CZ3 4.01Å
455	K	95.2	Very high	95.2	Very high	105 Å²	105	52.8 Å²	52.8	46%	0.457	30%	0.295	S	S	.	.	S	Bend	trans	-72.5	-21.2	178.7	-69.7	-175.9	171.8	-66.9	0	113.9	E493 W502 Y504	K455-E493 VanDerWaalsContact CB-OE2 3.24Å; K455-E493 WeakPolarHBondContact CB-OE2 3.29Å; K455-E493 WeakPolarHBondContact CG-OE2 3.33Å; K455-E493 PolarHBondContact N-OE1 2.99Å; K455-E493 VanDerWaalsContact N-OE1 3.16Å; K455-E493 PolarHBondContact N-OE2 2.82Å; K455-E493 VanDerWaalsContact N-OE2 3.08Å; K455-W502 WeakPolarHBondContact CE-O 3.37Å; K455-W502 HydrophobicContact CG-CB 4.11Å; K455-Y504 HydrophobicContact CB-CE1 3.76Å; K455-Y504 HydrophobicContact CB-CE2 4.4Å; K455-Y504 VanDerWaalsContact CB-OH 3.29Å; K455-Y504 WeakPolarHBondContact CB-OH 3.49Å; K455-Y504 HydrophobicContact CD-CD1 3.95Å; K455-Y504 HydrophobicContact CD-CD2 3.73Å; K455-Y504 HydrophobicContact CD-CE1 3.65Å; K455-Y504 HydrophobicContact CD-CE2 3.45Å; K455-Y504 VanDerWaalsContact CD-CE2 3.45Å; K455-Y504 HydrophobicContact CD-CG 3.98Å; K455-Y504 HydrophobicContact CG-CE1 4.35Å
456	E	92.1	Very high	95.3	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.126	28%	0.28	C	S	.	.	S	Bend	trans	-134	143.2	178.8	-58.6	-175.9	145	0	0	110.1	L454 R458 R477 C490 K491	L454-E456 VanDerWaalsContact C-N 3.26Å; L454-E456 PolarHBondContact O-N 3.02Å; E456-R458 PolarHBondContact O-N 3.43Å; E456-R477 VanDerWaalsContact CD-NE 3.32Å; E456-R477 IonicContact OE1-CZ 3.19Å; E456-R477 IonicContact OE1-NE 3.68Å; E456-R477 PolarHBondContact OE1-NE 3.4Å; E456-R477 IonicContact OE1-NH2 2.79Å; E456-R477 IonicContact OE2-NE 2.73Å; E456-R477 PolarHBondContact OE2-NE 3.28Å; E456-C490 WeakPolarHBondContact OE2-CA 3.4Å; E456-C490 VanDerWaalsContact OE2-CB 3.3Å; E456-C490 WeakPolarHBondContact OE2-CB 3.4Å; E456-K491 PolarHBondContact OE2-N 2.95Å
457	R	93.9	Very high	95.2	Very high	131 Å²	131	49.1 Å²	49.1	49%	0.494	29%	0.288	S	S	.	.			trans	-65.2	127.5	166.7	-61.5	178	-178.8	173.5	2.3	109	L434 F435 E436 R477	L434-R457 HydrophobicContact CB-CB 3.75Å; L434-R457 WeakPolarHBondContact O-CD 3.33Å; F435-R457 WeakPolarHBondContact O-CA 3.4Å; E436-R457 HydrophobicContact CB-CG 4.02Å; E436-R457 HydrophobicContact CG-CG 4.44Å; E436-R457 IonicContact OE1-NE 3.06Å; E436-R457 IonicContact OE1-NH2 2.76Å; E436-R457 WeakPolarHBondContact OE2-CD 3.38Å; E436-R457 WeakPolarHBondContact OE2-CG 3.12Å; E436-R457 IonicContact OE2-CZ 3.95Å; E436-R457 IonicContact OE2-NE 3Å; E436-R457 PolarHBondContact OE2-NE 2.64Å; E436-R457 IonicContact OE2-NH2 2.71Å; R457-R477 VanDerWaalsContact O-CB 3.26Å; R457-R477 WeakPolarHBondContact O-CB 2.84Å
458	R	94.7	Very high	95.1	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	28%	0.276	C	S	.	.			trans	-145.6	145.5	-176	64.4	-177.2	71.7	-148.3	4.1	112.7	G428 F435 L454 E456 A461 G474 C490 K491 E493	G428-R458 PolarHBondContact N-O 2.86Å; F435-R458 PolarHBondContact O-N 3.12Å; F435-R458 VanDerWaalsContact O-N 3.13Å; L454-R458 HydrophobicContact CD1-CG 3.75Å; E456-R458 PolarHBondContact O-N 3.43Å; R458-A461 HydrophobicContact CG-CB 4.09Å; R458-G474 PolarHBondContact NH1-O 3.15Å; R458-C490 HydrophobicContact CB-CB 4.36Å; R458-C490 WeakPolarHBondContact CB-SG 3.21Å; R458-K491 PolarHBondContact NH1-O 2.75Å; R458-K491 PolarHBondContact NH2-O 2.82Å; R458-E493 IonicContact CZ-OE1 3.61Å; R458-E493 VanDerWaalsContact CZ-OE1 3.31Å; R458-E493 IonicContact NE-OE1 3Å; R458-E493 IonicContact NH2-OE1 3.04Å; R458-E493 PolarHBondContact NH2-OE1 3.13Å
459	F	91	Very high	95.1	Very high	56 Å²	56	46.3 Å²	46.3	25%	0.246	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.8	175.5	166.1	-84.3	0	0	0	109.4	K412 I413 L434 A461 G475 V476	K412-F459 HydrophobicContact CG-CE2 4.25Å; K412-F459 VanDerWaalsContact O-CD2 3.26Å; K412-F459 WeakPolarHBondContact O-CD2 3.33Å; K412-F459 VanDerWaalsContact O-CE2 3.31Å; K412-F459 WeakPolarHBondContact O-CE2 3.21Å; I413-F459 HydrophobicContact CB-CD2 3.92Å; I413-F459 HydrophobicContact CB-CE1 4.23Å; I413-F459 HydrophobicContact CB-CE2 3.51Å; I413-F459 HydrophobicContact CB-CG 4.47Å; I413-F459 HydrophobicContact CB-CZ 3.71Å; I413-F459 HydrophobicContact CD1-CE1 3.76Å; I413-F459 HydrophobicContact CD1-CE2 3.81Å; I413-F459 HydrophobicContact CD1-CZ 3.15Å; I413-F459 HydrophobicContact CG1-CE1 4.47Å; I413-F459 HydrophobicContact CG1-CE2 3.81Å; I413-F459 HydrophobicContact CG1-CZ 3.71Å; I413-F459 HydrophobicContact CG2-CE1 4.45Å; I413-F459 HydrophobicContact CG2-CZ 4.39Å; L434-F459 HydrophobicContact CD2-CB 3.45Å; L434-F459 VanDerWaalsContact CD2-CB 3.45Å; L434-F459 HydrophobicContact CD2-CG 4.24Å; F459-A461 VanDerWaalsContact C-N 3.32Å; F459-G475 CarbonylContact O-C 3.52Å; F459-G475 WeakPolarHBondContact O-CA 3.33Å; F459-V476 HydrophobicContact CD1-CG2 4.3Å; F459-V476 PolarHBondContact N-O 3.12Å; F459-V476 PolarHBondContact O-N 3.02Å
460	G	93	Very high	95.2	Very high	26 Å²	26	42.3 Å²	42.3	27%	0.268	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.3	24	-175.9	0	0	0	0	0	114.2	I413 G475	I413-G460 VanDerWaalsContact CG2-CA 3.45Å; I413-G460 PolarHBondContact O-N 3.27Å; G460-G475 VanDerWaalsContact C-CA 3.45Å; G460-G475 WeakPolarHBondContact O-CA 3.18Å; G460-G475 PolarHBondContact O-N 3.23Å
461	A	95.8	Very high	95.3	Very high	7 Å²	7	38.5 Å²	38.5	6%	0.058	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	164.3	170	0	0	0	0	0	110.4	C415 R458 F459 V472 F473	C415-A461 HydrophobicContact CB-CB 4.1Å; C415-A461 WeakPolarHBondContact CB-O 3.22Å; R458-A461 HydrophobicContact CG-CB 4.09Å; F459-A461 VanDerWaalsContact C-N 3.32Å; A461-V472 HydrophobicContact CB-CG1 4.01Å; A461-F473 WeakPolarHBondContact CA-O 3.33Å
462	V	96.8	Very high	95.4	Very high	27 Å²	27	36.6 Å²	36.6	16%	0.164	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.3	169.4	-61.6	0	0	0	0	109.5	V472 F473 V519 A522	V462-V472 WeakPolarHBondContact O-CA 3.46Å; V462-F473 HydrophobicContact CG2-CB 4.14Å; V462-F473 PolarHBondContact N-O 2.81Å; V462-F473 PolarHBondContact O-N 2.81Å; V462-V519 HydrophobicContact CG2-CB 4.33Å; V462-V519 HydrophobicContact CG2-CG1 3.37Å; V462-A522 HydrophobicContact CG2-CB 3.85Å
463	A	97.5	Very high	95.6	Very high	16 Å²	16	34.1 Å²	34.1	13%	0.132	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.3	179.1	0	0	0	0	0	111.4	C415 A417 M426 Y471 V472	C415-A463 HydrophobicContact CB-CB 4.04Å; A417-A463 HydrophobicContact CB-CB 3.87Å; M426-A463 HydrophobicContact CE-CB 3.51Å; A463-Y471 CarbonylContact C-O 3.6Å; A463-Y471 WeakPolarHBondContact CA-O 3.07Å; A463-Y471 WeakPolarHBondContact CB-O 3.26Å; A463-V472 HydrophobicContact CB-CG2 4.04Å
464	C	97.8	Very high	95.5	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.7	168.4	63.7	0	0	0	0	109.4	Y471 A522 P524	C464-Y471 PolarHBondContact N-O 2.73Å; C464-Y471 PolarHBondContact O-N 2.83Å; C464-A522 HydrophobicContact CB-CB 4.41Å; C464-P524 HydrophobicContact CB-CG 4.45Å
465	G	96.9	Very high	95.3	Very high	24 Å²	24	31 Å²	31	25%	0.247	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.6	172.6	0	0	0	0	0	110.9	A418 E469	A418-G465 WeakPolarHBondContact O-CA 3.3Å; G465-E469 CarbonylContact C-O 3.55Å; G465-E469 WeakPolarHBondContact CA-O 3.24Å
466	V	95.4	Very high	95.2	Very high	23 Å²	23	26.8 Å²	26.8	14%	0.139	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	117.2	174.2	-165.2	0	0	0	0	108.9	M468 E469 P524 I529 R549	V466-M468 PolarHBondContact O-N 3Å; V466-M468 VanDerWaalsContact O-N 3.1Å; V466-E469 PolarHBondContact N-O 2.81Å; V466-E469 PolarHBondContact O-N 2.91Å; V466-P524 HydrophobicContact CG2-CB 3.75Å; V466-P524 HydrophobicContact CG2-CG 4.41Å; V466-I529 HydrophobicContact CG2-CD1 4.17Å; V466-I529 HydrophobicContact CG2-CG1 4.27Å; V466-R549 VanDerWaalsContact CG1-NH2 3.34Å
467	A	91.6	Very high	95.1	Very high	82 Å²	82	28.1 Å²	28.1	68%	0.678	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	-110.9	-175.2	0	0	0	0	0	112.8	M419	M419-A467 WeakPolarHBondContact CG-O 3.38Å
468	M	93.9	Very high	94.6	Very high	66 Å²	66	24.9 Å²	24.9	33%	0.325	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	15.2	-177.9	-62	-178.3	66.7	0	0	113.3	M419 V466 D497 E498	M419-M468 VanDerWaalsContact SD-O 3.34Å; V466-M468 PolarHBondContact O-N 3Å; V466-M468 VanDerWaalsContact O-N 3.1Å; M468-D497 HydrophobicContact CB-CB 4.36Å; M468-D497 HydrophobicContact CE-CB 4.33Å; M468-D497 PolarHBondContact O-N 2.97Å; M468-E498 HydrophobicContact CE-CG 3.61Å
469	E	96.4	Very high	93.9	Very high	37 Å²	37	29.1 Å²	29.1	17%	0.173	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.2	-173.6	-60.7	176.2	142.6	0	0	112.2	M419 G465 V466 Y471 F494 Y495 H496 R549	M419-E469 PolarHBondContact SD-N 2.82Å; M419-E469 VanDerWaalsContact SD-N 3.42Å; G465-E469 CarbonylContact C-O 3.55Å; G465-E469 WeakPolarHBondContact CA-O 3.24Å; V466-E469 PolarHBondContact N-O 2.81Å; V466-E469 PolarHBondContact O-N 2.91Å; E469-Y471 HydrophobicContact CB-CD2 4.17Å; E469-Y471 HydrophobicContact CB-CE2 3.52Å; E469-Y471 HydrophobicContact CG-CE2 4.43Å; E469-Y471 WeakPolarHBondContact OE2-CE2 3.36Å; E469-Y471 PolarHBondContact OE2-OH 2.58Å; E469-F494 HydrophobicContact CG-CD2 4.48Å; E469-Y495 CarbonylContact C-O 3.52Å; E469-Y495 VanDerWaalsContact CA-O 3.22Å; E469-Y495 WeakPolarHBondContact CA-O 3.5Å; E469-H496 IonicContact OE1-CD2 3.7Å; E469-R549 IonicContact OE2-NH1 3.83Å
470	L	97.7	Very high	92.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.1	166.5	-65.9	162.6	0	0	0	108.7	A417 M419 Y424 F494 Y495 W502	A417-L470 HydrophobicContact CB-CD2 3.8Å; M419-L470 HydrophobicContact CB-CD2 3.6Å; M419-L470 HydrophobicContact CB-CG 3.97Å; M419-L470 HydrophobicContact CE-CD1 3.98Å; M419-L470 HydrophobicContact CE-CG 4.07Å; M419-L470 HydrophobicContact CG-CG 4.5Å; M419-L470 HydrophobicContact SD-CD1 4.39Å; M419-L470 HydrophobicContact SD-CD2 4.48Å; M419-L470 HydrophobicContact SD-CG 3.82Å; Y424-L470 HydrophobicContact CD1-CD1 3.45Å; Y424-L470 VanDerWaalsContact CD1-CD1 3.45Å; Y424-L470 HydrophobicContact CD2-CD1 3.72Å; Y424-L470 HydrophobicContact CD2-CD2 3.99Å; Y424-L470 HydrophobicContact CD2-CG 4.42Å; Y424-L470 HydrophobicContact CE1-CD1 3.78Å; Y424-L470 HydrophobicContact CE2-CD1 4.07Å; Y424-L470 HydrophobicContact CG-CD1 3.41Å; Y424-L470 VanDerWaalsContact CG-CD1 3.41Å; Y424-L470 HydrophobicContact CG-CD2 4.26Å; Y424-L470 HydrophobicContact CG-CG 4.46Å; L470-F494 CarbonylContact O-C 3.37Å; L470-F494 WeakPolarHBondContact O-CA 3.32Å; L470-F494 VanDerWaalsContact O-CB 3.29Å; L470-F494 WeakPolarHBondContact O-CB 3.3Å; L470-Y495 HydrophobicContact CD1-CD1 4.2Å; L470-Y495 PolarHBondContact N-O 3.25Å; L470-Y495 PolarHBondContact O-N 3.23Å; L470-W502 HydrophobicContact CB-CH2 4.18Å
471	Y	97.9	Very high	91.7	Very high	8 Å²	8	41.6 Å²	41.6	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.8	177.9	-70.4	-94.1	0	0	0	109.9	A463 C464 E469 F473 F494 L505 I529 F547	A463-Y471 CarbonylContact C-O 3.6Å; A463-Y471 WeakPolarHBondContact CA-O 3.07Å; A463-Y471 WeakPolarHBondContact CB-O 3.26Å; C464-Y471 PolarHBondContact N-O 2.73Å; C464-Y471 PolarHBondContact O-N 2.83Å; E469-Y471 HydrophobicContact CB-CD2 4.17Å; E469-Y471 HydrophobicContact CB-CE2 3.52Å; E469-Y471 HydrophobicContact CG-CE2 4.43Å; E469-Y471 WeakPolarHBondContact OE2-CE2 3.36Å; E469-Y471 PolarHBondContact OE2-OH 2.58Å; Y471-F473 VanDerWaalsContact CB-CE2 3.47Å; Y471-F473 HydrophobicContact CD1-CZ 4.03Å; Y471-F473 HydrophobicContact CG-CE2 4.39Å; Y471-F473 HydrophobicContact CG-CZ 4.25Å; Y471-F494 HydrophobicContact CD1-CB 3.59Å; Y471-F494 HydrophobicContact CE1-CB 3.67Å; Y471-F494 HydrophobicContact CE1-CG 4.13Å; Y471-F494 HydrophobicContact CG-CB 4.11Å; Y471-L505 HydrophobicContact CD1-CD1 4Å; Y471-L505 HydrophobicContact CE1-CD1 4.33Å; Y471-L505 HydrophobicContact CE1-CD2 4.32Å; Y471-I529 HydrophobicContact CD1-CD1 3.87Å; Y471-I529 HydrophobicContact CD2-CD1 3.5Å; Y471-I529 VanDerWaalsContact CD2-CD1 3.5Å; Y471-I529 HydrophobicContact CE1-CD1 4.26Å; Y471-I529 HydrophobicContact CE2-CD1 3.92Å; Y471-I529 HydrophobicContact CG-CD1 3.47Å; Y471-I529 VanDerWaalsContact CG-CD1 3.47Å; Y471-F547 HydrophobicContact CD1-CE1 4.22Å; Y471-F547 HydrophobicContact CE1-CD1 4.41Å; Y471-F547 AromaticContact CE1-CE1 3.65Å; Y471-F547 HydrophobicContact CE1-CE1 3.65Å; Y471-F547 HydrophobicContact CE1-CZ 4.47Å
472	V	97.9	Very high	89.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.8	178.7	-179	0	0	0	0	109.2	M426 L454 A461 V462 A463 S492 E493 W502	M426-V472 HydrophobicContact CE-CG2 4.49Å; M426-V472 HydrophobicContact SD-CG2 3.77Å; L454-V472 HydrophobicContact CD2-CG2 4.15Å; A461-V472 HydrophobicContact CB-CG1 4.01Å; V462-V472 WeakPolarHBondContact O-CA 3.46Å; A463-V472 HydrophobicContact CB-CG2 4.04Å; V472-S492 VanDerWaalsContact O-CA 3.28Å; V472-S492 WeakPolarHBondContact O-CA 3.3Å; V472-E493 HydrophobicContact CB-CG 4.42Å; V472-E493 PolarHBondContact N-O 2.79Å; V472-E493 PolarHBondContact O-N 3.13Å; V472-E493 VanDerWaalsContact O-N 3.11Å; V472-W502 HydrophobicContact CB-CZ3 4.43Å; V472-W502 HydrophobicContact CG2-CH2 3.71Å; V472-W502 HydrophobicContact CG2-CZ3 3.63Å
473	F	97.2	Very high	87.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.3	-177	-56.9	-81.6	0	0	0	111.3	A461 V462 Y471 S492 L505 V519 A522 I529 V531 F547 W554	A461-F473 WeakPolarHBondContact CA-O 3.33Å; V462-F473 HydrophobicContact CG2-CB 4.14Å; V462-F473 PolarHBondContact N-O 2.81Å; V462-F473 PolarHBondContact O-N 2.81Å; Y471-F473 VanDerWaalsContact CB-CE2 3.47Å; Y471-F473 HydrophobicContact CD1-CZ 4.03Å; Y471-F473 HydrophobicContact CG-CE2 4.39Å; Y471-F473 HydrophobicContact CG-CZ 4.25Å; F473-S492 WeakPolarHBondContact CD1-OG 3.3Å; F473-L505 HydrophobicContact CE1-CD1 3.76Å; F473-L505 HydrophobicContact CZ-CD1 4.26Å; F473-V519 HydrophobicContact CB-CG1 4.38Å; F473-A522 HydrophobicContact CD2-CB 3.54Å; F473-A522 HydrophobicContact CE2-CB 3.96Å; F473-I529 HydrophobicContact CE2-CD1 4.26Å; F473-I529 HydrophobicContact CE2-CG2 3.78Å; F473-I529 HydrophobicContact CZ-CD1 4.15Å; F473-I529 HydrophobicContact CZ-CG2 4.08Å; F473-V531 HydrophobicContact CB-CG2 4.38Å; F473-V531 HydrophobicContact CD1-CG2 3.92Å; F473-V531 HydrophobicContact CD2-CG2 4.15Å; F473-V531 HydrophobicContact CE1-CG2 4.22Å; F473-V531 HydrophobicContact CE2-CG2 4.4Å; F473-V531 HydrophobicContact CG-CG2 3.88Å; F473-V531 HydrophobicContact CZ-CG2 4.44Å; F473-F547 HydrophobicContact CZ-CD1 4.47Å; F473-W554 AromaticContact CD1-CH2 3.7Å; F473-W554 HydrophobicContact CD1-CH2 3.7Å; F473-W554 HydrophobicContact CD1-CZ2 4.03Å; F473-W554 AromaticContact CE1-CH2 3.5Å; F473-W554 HydrophobicContact CE1-CH2 3.5Å; F473-W554 VanDerWaalsContact CE1-CH2 3.5Å; F473-W554 AromaticContact CE1-CZ2 3.74Å; F473-W554 HydrophobicContact CE1-CZ2 3.74Å; F473-W554 HydrophobicContact CZ-CH2 4.45Å
474	G	95	Very high	86.1	Confident	1 Å²	1	53 Å²	53	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62.7	-146.9	175.6	0	0	0	0	0	113.8	R458	R458-G474 PolarHBondContact NH1-O 3.15Å
475	G	94	Very high	84.8	Confident	5 Å²	5	58 Å²	58	5%	0.052	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.8	163.1	-163.3	0	0	0	0	0	112.2	F459 G460 T489 C490	F459-G475 CarbonylContact O-C 3.52Å; F459-G475 WeakPolarHBondContact O-CA 3.33Å; G460-G475 VanDerWaalsContact C-CA 3.45Å; G460-G475 WeakPolarHBondContact O-CA 3.18Å; G460-G475 PolarHBondContact O-N 3.23Å; G475-T489 CarbonylContact O-C 3.57Å; G475-T489 WeakPolarHBondContact O-CA 3.38Å; G475-C490 VanDerWaalsContact C-SG 3.6Å; G475-C490 PolarHBondContact O-N 2.88Å; G475-C490 PolarHBondContact O-SG 2.99Å; G475-C490 VanDerWaalsContact O-SG 3.33Å
476	V	92.7	Very high	84.1	Confident	16 Å²	16	61 Å²	61	10%	0.097	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.8	-177.5	-67.9	0	0	0	0	111.8	F459 M487 V488 C490 F518	F459-V476 HydrophobicContact CD1-CG2 4.3Å; F459-V476 PolarHBondContact N-O 3.12Å; F459-V476 PolarHBondContact O-N 3.02Å; V476-M487 HydrophobicContact CB-CB 4.35Å; V476-M487 HydrophobicContact CB-CE 4.01Å; V476-M487 HydrophobicContact CG2-CE 3.46Å; V476-M487 VanDerWaalsContact CG2-CE 3.46Å; V476-M487 HydrophobicContact CG2-SD 4.14Å; V476-V488 WeakPolarHBondContact CA-O 3.04Å; V476-C490 VanDerWaalsContact C-SG 3.56Å; V476-F518 HydrophobicContact CG1-CE1 4.21Å
477	R	89	Confident	83.7	Confident	54 Å²	54	63.7 Å²	63.7	20%	0.204	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.2	175.4	62.7	172.1	-179.8	58.6	7.2	111.2	E456 R457 M487 V488	E456-R477 VanDerWaalsContact CD-NE 3.32Å; E456-R477 IonicContact OE1-CZ 3.19Å; E456-R477 IonicContact OE1-NE 3.68Å; E456-R477 PolarHBondContact OE1-NE 3.4Å; E456-R477 IonicContact OE1-NH2 2.79Å; E456-R477 IonicContact OE2-NE 2.73Å; E456-R477 PolarHBondContact OE2-NE 3.28Å; R457-R477 VanDerWaalsContact O-CB 3.26Å; R457-R477 WeakPolarHBondContact O-CB 2.84Å; R477-M487 VanDerWaalsContact O-CA 3.31Å; R477-M487 WeakPolarHBondContact O-CA 3.44Å; R477-V488 HydrophobicContact CG-CG2 4.05Å; R477-V488 VanDerWaalsContact CZ-CG2 3.48Å; R477-V488 PolarHBondContact N-O 2.95Å; R477-V488 PolarHBondContact O-N 2.77Å
478	S	84.2	Confident	83.7	Confident	63 Å²	63	60.2 Å²	60.2	44%	0.441	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	139.4	169.2	-164.8	0	0	0	0	109.8
479	R	79.8	Confident	83.7	Confident	90 Å²	90	57.4 Å²	57.4	34%	0.34	31%	0.308	S	S	.	.			trans	-77.3	123.5	172.3	-168.1	166.3	70.7	-165.5	3.9	109.7	A482 E486	R479-A482 HydrophobicContact CB-CB 4.49Å; R479-A482 HydrophobicContact CG-CB 4.48Å; R479-E486 WeakPolarHBondContact CB-O 3.4Å; R479-E486 VanDerWaalsContact CZ-CD 3.46Å; R479-E486 IonicContact CZ-OE1 2.87Å; R479-E486 IonicContact CZ-OE2 2.99Å; R479-E486 PolarHBondContact N-O 3.23Å; R479-E486 IonicContact NH1-OE1 2.62Å; R479-E486 PolarHBondContact NH1-OE1 3.1Å; R479-E486 IonicContact NH1-OE2 3.06Å; R479-E486 PolarHBondContact NH1-OE2 3.09Å; R479-E486 IonicContact NH2-OE1 3.01Å; R479-E486 IonicContact NH2-OE2 2.68Å; R479-E486 PolarHBondContact NH2-OE2 3.01Å
480	E	71.4	Confident	83.5	Confident	186 Å²	186	55.9 Å²	55.9	87%	0.869	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-32.9	-177	-63.8	-176.2	166.6	0	0	112.9
481	D	66.5	Low	83.4	Confident	159 Å²	159	61 Å²	61	85%	0.85	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.4	-171.5	-61.7	-40.4	0	0	0	115.4
482	A	57.7	Low	83.3	Confident	28 Å²	28	60.6 Å²	60.6	23%	0.231	32%	0.322	C	S	.	.			trans	-100.4	139.4	-174.5	0	0	0	0	0	112.9	R479 G484	R479-A482 HydrophobicContact CB-CB 4.49Å; R479-A482 HydrophobicContact CG-CB 4.48Å; A482-G484 WeakPolarHBondContact CB-O 3.48Å; A482-G484 PolarHBondContact O-N 2.84Å
483	Q	56	Low	83.3	Confident	217 Å²	217	60.6 Å²	60.6	100%	1.014	32%	0.322	S	S	*	.	S	Bend	trans	-63.6	0.8	168.7	-66.1	177.2	3.2	0	0	113.3
484	G	59.4	Low	83.3	Confident	44 Å²	44	62.1 Å²	62.1	45%	0.454	33%	0.329	S	S	.	.	S	Bend	trans	-136.6	153.2	178.8	0	0	0	0	0	112.3	A482 E486	A482-G484 WeakPolarHBondContact CB-O 3.48Å; A482-G484 PolarHBondContact O-N 2.84Å; G484-E486 PolarHBondContact O-N 3.26Å
485	S	70.3	Confident	83.4	Confident	116 Å²	116	62.3 Å²	62.3	81%	0.811	33%	0.329	S	S	*	.			trans	-70.2	53	178.9	-55.3	0	0	0	0	113.3
486	E	83	Confident	83.3	Confident	86 Å²	86	63.4 Å²	63.4	40%	0.402	33%	0.333	S	S	.	.			trans	-75.5	127.9	175.4	-166	179.2	143.7	0	0	109.9	R479 G484	R479-E486 WeakPolarHBondContact CB-O 3.4Å; R479-E486 VanDerWaalsContact CZ-CD 3.46Å; R479-E486 IonicContact CZ-OE1 2.87Å; R479-E486 IonicContact CZ-OE2 2.99Å; R479-E486 PolarHBondContact N-O 3.23Å; R479-E486 IonicContact NH1-OE1 2.62Å; R479-E486 PolarHBondContact NH1-OE1 3.1Å; R479-E486 IonicContact NH1-OE2 3.06Å; R479-E486 PolarHBondContact NH1-OE2 3.09Å; R479-E486 IonicContact NH2-OE1 3.01Å; R479-E486 IonicContact NH2-OE2 2.68Å; R479-E486 PolarHBondContact NH2-OE2 3.01Å; G484-E486 PolarHBondContact O-N 3.26Å
487	M	86.7	Confident	83.3	Confident	80 Å²	80	63.6 Å²	63.6	39%	0.394	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.7	176.1	-60.1	-165.2	92.6	0	0	110.5	L434 V476 R477	L434-M487 HydrophobicContact CD1-CE 4.36Å; V476-M487 HydrophobicContact CB-CB 4.35Å; V476-M487 HydrophobicContact CB-CE 4.01Å; V476-M487 HydrophobicContact CG2-CE 3.46Å; V476-M487 VanDerWaalsContact CG2-CE 3.46Å; V476-M487 HydrophobicContact CG2-SD 4.14Å; R477-M487 VanDerWaalsContact O-CA 3.31Å; R477-M487 WeakPolarHBondContact O-CA 3.44Å
488	V	91	Very high	83.4	Confident	9 Å²	9	67.2 Å²	67.2	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	154.2	177.2	-63	0	0	0	0	110.5	V476 R477	V476-V488 WeakPolarHBondContact CA-O 3.04Å; R477-V488 HydrophobicContact CG-CG2 4.05Å; R477-V488 VanDerWaalsContact CZ-CG2 3.48Å; R477-V488 PolarHBondContact N-O 2.95Å; R477-V488 PolarHBondContact O-N 2.77Å
489	T	93.2	Very high	83.8	Confident	6 Å²	6	69.6 Å²	69.6	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	136.8	175.8	-42.2	0	0	0	0	110.7	G475 A514 S517	G475-T489 CarbonylContact O-C 3.57Å; G475-T489 WeakPolarHBondContact O-CA 3.38Å; T489-A514 PolarHBondContact OG1-O 3.3Å; T489-S517 WeakPolarHBondContact OG1-CB 3.35Å; T489-S517 PolarHBondContact OG1-O 2.82Å; T489-S517 VanDerWaalsContact OG1-O 3.06Å
490	C	93.7	Very high	84.4	Confident	6 Å²	6	70.7 Å²	70.7	4%	0.041	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-74.3	157	178	-55.4	0	0	0	0	110.9	E456 R458 G475 V476	E456-C490 WeakPolarHBondContact OE2-CA 3.4Å; E456-C490 VanDerWaalsContact OE2-CB 3.3Å; E456-C490 WeakPolarHBondContact OE2-CB 3.4Å; R458-C490 HydrophobicContact CB-CB 4.36Å; R458-C490 WeakPolarHBondContact CB-SG 3.21Å; G475-C490 VanDerWaalsContact C-SG 3.6Å; G475-C490 PolarHBondContact O-N 2.88Å; G475-C490 PolarHBondContact O-SG 2.99Å; G475-C490 VanDerWaalsContact O-SG 3.33Å; V476-C490 VanDerWaalsContact C-SG 3.56Å
491	K	94.3	Very high	85.5	Confident	106 Å²	106	68.7 Å²	68.7	46%	0.461	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-70.8	144.8	171.1	-67.4	178.9	-179.1	175.4	0	110.5	E456 R458 Y504 D507	E456-K491 PolarHBondContact OE2-N 2.95Å; R458-K491 PolarHBondContact NH1-O 2.75Å; R458-K491 PolarHBondContact NH2-O 2.82Å; K491-Y504 HydrophobicContact CB-CD1 3.84Å; K491-Y504 HydrophobicContact CB-CE1 3.9Å; K491-Y504 HydrophobicContact CD-CD1 4.23Å; K491-Y504 HydrophobicContact CD-CE1 4.18Å; K491-D507 VanDerWaalsContact CA-OD2 3.29Å; K491-D507 WeakPolarHBondContact CA-OD2 3.47Å
492	S	96.7	Very high	86.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-70.6	141	170.7	-40.4	0	0	0	0	109.6	V472 F473 L505 D507 L510	V472-S492 VanDerWaalsContact O-CA 3.28Å; V472-S492 WeakPolarHBondContact O-CA 3.3Å; F473-S492 WeakPolarHBondContact CD1-OG 3.3Å; S492-L505 PolarHBondContact O-N 2.89Å; S492-D507 WeakPolarHBondContact CB-OD1 3.44Å; S492-D507 PolarHBondContact N-OD2 2.76Å; S492-D507 PolarHBondContact OG-OD1 2.71Å; S492-D507 PolarHBondContact OG-OD2 2.95Å; S492-L510 WeakPolarHBondContact OG-CD2 3.37Å
493	E	97	Very high	88.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.5	179.1	58.4	-176.7	147.8	0	0	110.2	L454 K455 R458 V472 W502 I503 Y504	L454-E493 WeakPolarHBondContact CB-OE1 3.23Å; L454-E493 HydrophobicContact CD2-CG 4.42Å; L454-E493 WeakPolarHBondContact CD2-OE1 3.36Å; K455-E493 VanDerWaalsContact CB-OE2 3.24Å; K455-E493 WeakPolarHBondContact CB-OE2 3.29Å; K455-E493 WeakPolarHBondContact CG-OE2 3.33Å; K455-E493 PolarHBondContact N-OE1 2.99Å; K455-E493 VanDerWaalsContact N-OE1 3.16Å; K455-E493 PolarHBondContact N-OE2 2.82Å; K455-E493 VanDerWaalsContact N-OE2 3.08Å; R458-E493 IonicContact CZ-OE1 3.61Å; R458-E493 VanDerWaalsContact CZ-OE1 3.31Å; R458-E493 IonicContact NE-OE1 3Å; R458-E493 IonicContact NH2-OE1 3.04Å; R458-E493 PolarHBondContact NH2-OE1 3.13Å; V472-E493 HydrophobicContact CB-CG 4.42Å; V472-E493 PolarHBondContact N-O 2.79Å; V472-E493 PolarHBondContact O-N 3.13Å; V472-E493 VanDerWaalsContact O-N 3.11Å; E493-W502 HydrophobicContact CB-CE3 4.31Å; E493-W502 HydrophobicContact CG-CE3 3.78Å; E493-W502 HydrophobicContact CG-CZ3 4.34Å; E493-W502 WeakPolarHBondContact OE2-CB 3.48Å; E493-I503 CarbonylContact C-O 3.56Å; E493-I503 VanDerWaalsContact CA-O 3.24Å; E493-I503 WeakPolarHBondContact CA-O 3.15Å; E493-I503 WeakPolarHBondContact CB-O 3.4Å; E493-Y504 HydrophobicContact CB-CD1 4.19Å
494	F	96.8	Very high	90.6	Very high	32 Å²	32	56.6 Å²	56.6	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.3	174.7	80.2	-77.6	0	0	0	111.2	E469 L470 Y471 H496 W502 I503 L505	E469-F494 HydrophobicContact CG-CD2 4.48Å; L470-F494 CarbonylContact O-C 3.37Å; L470-F494 WeakPolarHBondContact O-CA 3.32Å; L470-F494 VanDerWaalsContact O-CB 3.29Å; L470-F494 WeakPolarHBondContact O-CB 3.3Å; Y471-F494 HydrophobicContact CD1-CB 3.59Å; Y471-F494 HydrophobicContact CE1-CB 3.67Å; Y471-F494 HydrophobicContact CE1-CG 4.13Å; Y471-F494 HydrophobicContact CG-CB 4.11Å; F494-H496 HydrophobicContact CE2-CB 4.39Å; F494-W502 CarbonylContact O-C 3.52Å; F494-W502 WeakPolarHBondContact O-CA 3.5Å; F494-I503 HydrophobicContact CD1-CB 3.95Å; F494-I503 HydrophobicContact CD1-CG2 4.35Å; F494-I503 WeakPolarHBondContact CD1-O 3.28Å; F494-I503 HydrophobicContact CE1-CB 3.52Å; F494-I503 HydrophobicContact CE1-CD1 4.32Å; F494-I503 HydrophobicContact CE1-CG1 4.47Å; F494-I503 HydrophobicContact CE1-CG2 3.58Å; F494-I503 HydrophobicContact CE2-CD1 4.34Å; F494-I503 HydrophobicContact CZ-CB 3.94Å; F494-I503 HydrophobicContact CZ-CD1 3.83Å; F494-I503 HydrophobicContact CZ-CG1 4.43Å; F494-I503 HydrophobicContact CZ-CG2 4.12Å; F494-I503 PolarHBondContact N-O 2.76Å; F494-I503 PolarHBondContact O-N 2.92Å; F494-L505 HydrophobicContact CB-CD2 4.43Å; F494-L505 HydrophobicContact CD1-CD2 3.36Å; F494-L505 HydrophobicContact CD1-CG 4.13Å; F494-L505 HydrophobicContact CE1-CD2 3.88Å; F494-L505 HydrophobicContact CG-CD2 4.2Å
495	Y	97.2	Very high	92.3	Very high	6 Å²	6	55.5 Å²	55.5	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.1	174.9	174.9	-87.7	0	0	0	108.6	M419 I451 C452 E469 L470 K500 W502	M419-Y495 HydrophobicContact CE-CD1 4.19Å; M419-Y495 HydrophobicContact CE-CE1 4.11Å; I451-Y495 HydrophobicContact CD1-CE2 4.34Å; C452-Y495 HydrophobicContact CB-CE2 4.47Å; E469-Y495 CarbonylContact C-O 3.52Å; E469-Y495 VanDerWaalsContact CA-O 3.22Å; E469-Y495 WeakPolarHBondContact CA-O 3.5Å; L470-Y495 HydrophobicContact CD1-CD1 4.2Å; L470-Y495 PolarHBondContact N-O 3.25Å; L470-Y495 PolarHBondContact O-N 3.23Å; Y495-K500 WeakPolarHBondContact OH-CD 3.3Å; Y495-W502 HydrophobicContact CD2-CD2 4.26Å; Y495-W502 AromaticContact CD2-CE2 3.98Å; Y495-W502 HydrophobicContact CD2-CG 4.37Å; Y495-W502 HydrophobicContact CD2-CZ2 4.41Å; Y495-W502 AromaticContact CD2-NE1 3.94Å; Y495-W502 HydrophobicContact CG-CD2 4.5Å; Y495-W502 HydrophobicContact CG-CZ2 4.35Å
496	H	93.9	Very high	93.4	Very high	28 Å²	28	54.4 Å²	54.4	13%	0.13	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.8	173.8	-167.9	-83.5	0	0	0	110	E469 F494 E498 F499 K500	E469-H496 IonicContact OE1-CD2 3.7Å; F494-H496 HydrophobicContact CE2-CB 4.39Å; H496-E498 IonicContact CE1-OE2 3.32Å; H496-E498 WeakPolarHBondContact ND1-CB 3.33Å; H496-E498 PolarHBondContact ND1-N 2.75Å; H496-E498 PolarHBondContact O-N 2.84Å; H496-F499 HydrophobicContact CB-CB 4.4Å; H496-F499 HydrophobicContact CB-CD2 3.52Å; H496-F499 HydrophobicContact CB-CE2 4.14Å; H496-F499 HydrophobicContact CB-CG 4.31Å; H496-F499 AromaticContact CG-CD2 3.65Å; H496-F499 AromaticContact CG-CE2 3.82Å; H496-F499 AromaticContact ND1-CD2 3.73Å; H496-F499 AromaticContact ND1-CE2 3.82Å; H496-F499 PolarHBondContact O-N 3.33Å; H496-F499 VanDerWaalsContact O-N 3.17Å; H496-K500 PolarHBondContact O-N 2.83Å
497	D	91.3	Very high	93.8	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.102	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.7	-174.2	-169.2	44.4	0	0	0	113.3	M419 K420 M468 K500	M419-D497 HydrophobicContact CE-CB 4.04Å; M419-D497 HydrophobicContact SD-CB 4.41Å; K420-D497 WeakPolarHBondContact CD-OD2 3.45Å; K420-D497 IonicContact NZ-OD2 2.64Å; K420-D497 PolarHBondContact NZ-OD2 3Å; M468-D497 HydrophobicContact CB-CB 4.36Å; M468-D497 HydrophobicContact CE-CB 4.33Å; M468-D497 PolarHBondContact O-N 2.97Å; D497-K500 WeakPolarHBondContact O-CD 3.47Å; D497-K500 WeakPolarHBondContact O-CE 3.33Å; D497-K500 PolarHBondContact O-NZ 3.31Å; D497-K500 IonicContact OD1-NZ 3.52Å; D497-K500 PolarHBondContact OD1-NZ 3.41Å; D497-K500 IonicContact OD2-NZ 3.95Å
498	E	91.8	Very high	93.9	Very high	131 Å²	131	54.1 Å²	54.1	61%	0.612	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-38.6	177.9	-59.4	-176.6	157.9	0	0	113.3	M468 H496 K500	M468-E498 HydrophobicContact CE-CG 3.61Å; H496-E498 IonicContact CE1-OE2 3.32Å; H496-E498 WeakPolarHBondContact ND1-CB 3.33Å; H496-E498 PolarHBondContact ND1-N 2.75Å; H496-E498 PolarHBondContact O-N 2.84Å; E498-K500 VanDerWaalsContact C-N 3.33Å
499	F	91.6	Very high	93.9	Very high	113 Å²	113	58.5 Å²	58.5	50%	0.496	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.6	-176.3	-54.2	-46.8	0	0	0	112.5	H496 R501 I503	H496-F499 HydrophobicContact CB-CB 4.4Å; H496-F499 HydrophobicContact CB-CD2 3.52Å; H496-F499 HydrophobicContact CB-CE2 4.14Å; H496-F499 HydrophobicContact CB-CG 4.31Å; H496-F499 AromaticContact CG-CD2 3.65Å; H496-F499 AromaticContact CG-CE2 3.82Å; H496-F499 AromaticContact ND1-CD2 3.73Å; H496-F499 AromaticContact ND1-CE2 3.82Å; H496-F499 PolarHBondContact O-N 3.33Å; H496-F499 VanDerWaalsContact O-N 3.17Å; F499-R501 HydrophobicContact CB-CG 3.95Å; F499-R501 PolarHBondContact O-N 2.88Å; F499-I503 HydrophobicContact CD2-CD1 4.46Å
500	K	92.4	Very high	93.9	Very high	112 Å²	112	58.5 Å²	58.5	49%	0.487	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	31.2	179.1	-58.3	-64.9	-176.3	-166.1	0	113.8	Y495 H496 D497 E498	Y495-K500 WeakPolarHBondContact OH-CD 3.3Å; H496-K500 PolarHBondContact O-N 2.83Å; D497-K500 WeakPolarHBondContact O-CD 3.47Å; D497-K500 WeakPolarHBondContact O-CE 3.33Å; D497-K500 PolarHBondContact O-NZ 3.31Å; D497-K500 IonicContact OD1-NZ 3.52Å; D497-K500 PolarHBondContact OD1-NZ 3.41Å; D497-K500 IonicContact OD2-NZ 3.95Å; E498-K500 VanDerWaalsContact C-N 3.33Å
501	R	94.3	Very high	93.8	Very high	145 Å²	145	59.4 Å²	59.4	55%	0.547	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	151.2	-177.4	69.7	-175	177.3	-179.5	-3.8	111.6	F499 I503	F499-R501 HydrophobicContact CB-CG 3.95Å; F499-R501 PolarHBondContact O-N 2.88Å; R501-I503 HydrophobicContact CG-CG1 4.26Å
502	W	96.7	Very high	93.7	Very high	6 Å²	6	57.7 Å²	57.7	2%	0.023	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	142.6	170.1	-64.6	93.6	0	0	0	111.4	M426 V438 C452 L454 K455 L470 V472 E493 F494 Y495	M426-W502 HydrophobicContact CG-CZ2 4.4Å; M426-W502 HydrophobicContact SD-CH2 3.54Å; M426-W502 VanDerWaalsContact SD-CH2 3.54Å; M426-W502 HydrophobicContact SD-CZ2 3.9Å; V438-W502 HydrophobicContact CG1-CZ2 4.47Å; V438-W502 HydrophobicContact CG2-CZ2 4.17Å; C452-W502 PolarHBondContact O-NE1 2.99Å; L454-W502 HydrophobicContact CD2-CD2 3.96Å; L454-W502 HydrophobicContact CD2-CE3 4.05Å; L454-W502 HydrophobicContact CD2-CH2 3.84Å; L454-W502 HydrophobicContact CD2-CZ2 3.7Å; L454-W502 HydrophobicContact CD2-CZ3 4.01Å; K455-W502 WeakPolarHBondContact CE-O 3.37Å; K455-W502 HydrophobicContact CG-CB 4.11Å; L470-W502 HydrophobicContact CB-CH2 4.18Å; V472-W502 HydrophobicContact CB-CZ3 4.43Å; V472-W502 HydrophobicContact CG2-CH2 3.71Å; V472-W502 HydrophobicContact CG2-CZ3 3.63Å; E493-W502 HydrophobicContact CB-CE3 4.31Å; E493-W502 HydrophobicContact CG-CE3 3.78Å; E493-W502 HydrophobicContact CG-CZ3 4.34Å; E493-W502 WeakPolarHBondContact OE2-CB 3.48Å; F494-W502 CarbonylContact O-C 3.52Å; F494-W502 WeakPolarHBondContact O-CA 3.5Å; Y495-W502 HydrophobicContact CD2-CD2 4.26Å; Y495-W502 AromaticContact CD2-CE2 3.98Å; Y495-W502 HydrophobicContact CD2-CG 4.37Å; Y495-W502 HydrophobicContact CD2-CZ2 4.41Å; Y495-W502 AromaticContact CD2-NE1 3.94Å; Y495-W502 HydrophobicContact CG-CD2 4.5Å; Y495-W502 HydrophobicContact CG-CZ2 4.35Å
503	I	95.8	Very high	93.4	Very high	51 Å²	51	61.9 Å²	61.9	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.1	-179.7	-57.8	173.9	0	0	0	107.5	E493 F494 F499 R501	E493-I503 CarbonylContact C-O 3.56Å; E493-I503 VanDerWaalsContact CA-O 3.24Å; E493-I503 WeakPolarHBondContact CA-O 3.15Å; E493-I503 WeakPolarHBondContact CB-O 3.4Å; F494-I503 HydrophobicContact CD1-CB 3.95Å; F494-I503 HydrophobicContact CD1-CG2 4.35Å; F494-I503 WeakPolarHBondContact CD1-O 3.28Å; F494-I503 HydrophobicContact CE1-CB 3.52Å; F494-I503 HydrophobicContact CE1-CD1 4.32Å; F494-I503 HydrophobicContact CE1-CG1 4.47Å; F494-I503 HydrophobicContact CE1-CG2 3.58Å; F494-I503 HydrophobicContact CE2-CD1 4.34Å; F494-I503 HydrophobicContact CZ-CB 3.94Å; F494-I503 HydrophobicContact CZ-CD1 3.83Å; F494-I503 HydrophobicContact CZ-CG1 4.43Å; F494-I503 HydrophobicContact CZ-CG2 4.12Å; F494-I503 PolarHBondContact N-O 2.76Å; F494-I503 PolarHBondContact O-N 2.92Å; F499-I503 HydrophobicContact CD2-CD1 4.46Å; R501-I503 HydrophobicContact CG-CG1 4.26Å
504	Y	95.8	Very high	93	Very high	92 Å²	92	63 Å²	63	36%	0.361	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139	175.6	-72.8	-54.8	0	0	0	110.9	K455 K491 E493	K455-Y504 HydrophobicContact CB-CE1 3.76Å; K455-Y504 HydrophobicContact CB-CE2 4.4Å; K455-Y504 VanDerWaalsContact CB-OH 3.29Å; K455-Y504 WeakPolarHBondContact CB-OH 3.49Å; K455-Y504 HydrophobicContact CD-CD1 3.95Å; K455-Y504 HydrophobicContact CD-CD2 3.73Å; K455-Y504 HydrophobicContact CD-CE1 3.65Å; K455-Y504 HydrophobicContact CD-CE2 3.45Å; K455-Y504 VanDerWaalsContact CD-CE2 3.45Å; K455-Y504 HydrophobicContact CD-CG 3.98Å; K455-Y504 HydrophobicContact CG-CE1 4.35Å; K491-Y504 HydrophobicContact CB-CD1 3.84Å; K491-Y504 HydrophobicContact CB-CE1 3.9Å; K491-Y504 HydrophobicContact CD-CD1 4.23Å; K491-Y504 HydrophobicContact CD-CE1 4.18Å; E493-Y504 HydrophobicContact CB-CD1 4.19Å
505	L	95.2	Very high	92.5	Very high	22 Å²	22	64.9 Å²	64.9	12%	0.115	32%	0.323	C	S	.	.			trans	-81.1	158.1	164.8	-63.1	-179.3	0	0	0	110.3	Y471 F473 S492 F494 D507 F547	Y471-L505 HydrophobicContact CD1-CD1 4Å; Y471-L505 HydrophobicContact CE1-CD1 4.33Å; Y471-L505 HydrophobicContact CE1-CD2 4.32Å; F473-L505 HydrophobicContact CE1-CD1 3.76Å; F473-L505 HydrophobicContact CZ-CD1 4.26Å; S492-L505 PolarHBondContact O-N 2.89Å; F494-L505 HydrophobicContact CB-CD2 4.43Å; F494-L505 HydrophobicContact CD1-CD2 3.36Å; F494-L505 HydrophobicContact CD1-CG 4.13Å; F494-L505 HydrophobicContact CE1-CD2 3.88Å; F494-L505 HydrophobicContact CG-CD2 4.2Å; L505-D507 PolarHBondContact O-N 2.82Å; L505-F547 HydrophobicContact CD1-CE1 4.1Å; L505-F547 HydrophobicContact CD1-CE2 4.19Å; L505-F547 HydrophobicContact CD1-CZ 3.87Å; L505-F547 HydrophobicContact CD2-CE1 4.37Å; L505-F547 HydrophobicContact CD2-CE2 4.43Å; L505-F547 HydrophobicContact CD2-CZ 3.74Å; L505-F547 HydrophobicContact CG-CZ 4.37Å
506	N	92.7	Very high	92.2	Very high	93 Å²	93	66 Å²	66	50%	0.497	33%	0.332	S	S	.	.			trans	-79.6	98.9	166.8	-174.7	9.4	0	0	0	109.3	Q508 W554	N506-Q508 PolarHBondContact O-N 2.8Å; N506-Q508 WeakPolarHBondContact OD1-CB 3.48Å; N506-Q508 PolarHBondContact OD1-N 3.44Å; N506-W554 PolarHBondContact O-NE1 3.02Å
507	D	91.3	Very high	92.2	Very high	33 Å²	33	64.8 Å²	64.8	18%	0.176	33%	0.326	C	S	.	.			trans	-78.4	12	175.6	-68	-32.6	0	0	0	113.8	K491 S492 L505 N509 L510	K491-D507 VanDerWaalsContact CA-OD2 3.29Å; K491-D507 WeakPolarHBondContact CA-OD2 3.47Å; S492-D507 WeakPolarHBondContact CB-OD1 3.44Å; S492-D507 PolarHBondContact N-OD2 2.76Å; S492-D507 PolarHBondContact OG-OD1 2.71Å; S492-D507 PolarHBondContact OG-OD2 2.95Å; L505-D507 PolarHBondContact O-N 2.82Å; D507-N509 PolarHBondContact O-N 3.06Å; D507-L510 HydrophobicContact CB-CB 4.16Å; D507-L510 PolarHBondContact O-N 2.93Å
508	Q	89	Confident	92.3	Very high	126 Å²	126	67.7 Å²	67.7	59%	0.589	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	119	170.6	-171.4	179.4	14.2	0	0	108.8	N506	N506-Q508 PolarHBondContact O-N 2.8Å; N506-Q508 WeakPolarHBondContact OD1-CB 3.48Å; N506-Q508 PolarHBondContact OD1-N 3.44Å
509	N	91.1	Very high	92.5	Very high	101 Å²	101	62 Å²	62	54%	0.54	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	26.9	-173.6	-40.5	-58	0	0	0	114.8	D507 R545 W554	D507-N509 PolarHBondContact O-N 3.06Å; N509-R545 VanDerWaalsContact O-CD 3.25Å; N509-R545 WeakPolarHBondContact O-CD 3.28Å; N509-R545 VanDerWaalsContact O-CZ 3.28Å; N509-R545 PolarHBondContact O-NH1 3.03Å; N509-W554 HydrophobicContact CB-CB 4.22Å; N509-W554 VanDerWaalsContact O-CB 3.27Å; N509-W554 WeakPolarHBondContact O-CB 3.33Å
510	L	93.1	Very high	92.7	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-71.6	160.8	173.7	52.9	0	0	0	110.1	S492 D507 V531 L535 R545 W554	S492-L510 WeakPolarHBondContact OG-CD2 3.37Å; D507-L510 HydrophobicContact CB-CB 4.16Å; D507-L510 PolarHBondContact O-N 2.93Å; L510-V531 HydrophobicContact CD1-CG1 4.35Å; L510-L535 HydrophobicContact CD1-CD1 4.37Å; L510-L535 HydrophobicContact CD1-CD2 4.46Å; L510-R545 WeakPolarHBondContact O-CD 3.47Å; L510-R545 PolarHBondContact O-NE 3.11Å; L510-W554 HydrophobicContact CB-CD2 4.01Å; L510-W554 HydrophobicContact CB-CE3 4.49Å; L510-W554 HydrophobicContact CB-CG 4.32Å; L510-W554 HydrophobicContact CB-CZ2 4.17Å; L510-W554 HydrophobicContact CD1-CD2 4.21Å; L510-W554 HydrophobicContact CD1-CE3 3.84Å; L510-W554 HydrophobicContact CD1-CH2 3.7Å; L510-W554 HydrophobicContact CD1-CZ2 4.09Å; L510-W554 HydrophobicContact CD1-CZ3 3.56Å; L510-W554 HydrophobicContact CD2-CH2 3.96Å; L510-W554 HydrophobicContact CD2-CZ2 3.75Å; L510-W554 HydrophobicContact CG-CH2 4.28Å; L510-W554 HydrophobicContact CG-CZ2 4.2Å
511	C	92.7	Very high	92.9	Very high	25 Å²	25	53.1 Å²	53.1	17%	0.169	28%	0.275	C	S	.	.			trans	-162.3	167.5	178.6	64.8	0	0	0	0	109.9	S517 L535 D536	C511-S517 WeakPolarHBondContact CB-OG 3.48Å; C511-L535 HydrophobicContact CB-CB 4.15Å; C511-L535 HydrophobicContact CB-CD2 4.5Å; C511-D536 CarbonylContact C-O 3.49Å; C511-D536 WeakPolarHBondContact CA-O 3.48Å; C511-D536 VanDerWaalsContact CB-O 3.3Å; C511-D536 WeakPolarHBondContact CB-O 3.23Å
512	I	91.4	Very high	93.1	Very high	70 Å²	70	46.9 Å²	46.9	36%	0.359	25%	0.254	S	S	.	.			trans	-69.3	132.8	168.6	-63.4	-174.6	0	0	0	108.3	A514 S517 D536	I512-A514 HydrophobicContact CG2-CB 3.88Å; I512-A514 PolarHBondContact O-N 3.33Å; I512-S517 WeakPolarHBondContact O-CB 3.14Å; I512-S517 PolarHBondContact O-OG 3.22Å; I512-D536 PolarHBondContact N-O 2.97Å
513	P	89.9	Confident	93.2	Very high	87 Å²	87	46.8 Å²	46.8	57%	0.565	25%	0.254	S	S	*	.	S	Bend	trans	-74.9	77.4	175.5	31.9	-35.5	0	0	0	110.7
514	A	89.6	Confident	93.2	Very high	23 Å²	23	46.8 Å²	46.8	19%	0.19	26%	0.258	C	S	.	.	S	Bend	trans	-140.3	164.9	-176.6	0	0	0	0	0	111.1	T489 I512 S516 S517	T489-A514 PolarHBondContact OG1-O 3.3Å; I512-A514 HydrophobicContact CG2-CB 3.88Å; I512-A514 PolarHBondContact O-N 3.33Å; A514-S516 PolarHBondContact O-N 2.83Å; A514-S517 PolarHBondContact O-N 2.78Å
515	S	86.1	Confident	93.3	Very high	72 Å²	72	42.6 Å²	42.6	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-2.3	177.5	65.8	0	0	0	0	114.4	F518	S515-F518 WeakPolarHBondContact O-CE2 3.36Å; S515-F518 WeakPolarHBondContact O-CZ 3.31Å
516	S	90	Very high	93.1	Very high	30 Å²	30	44 Å²	44	21%	0.21	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-19.5	171.5	43	0	0	0	0	113	A514 D536 Y541	A514-S516 PolarHBondContact O-N 2.83Å; S516-D536 WeakPolarHBondContact CB-OD2 3.44Å; S516-D536 PolarHBondContact OG-OD2 3.24Å; S516-Y541 VanDerWaalsContact CB-OH 3.25Å; S516-Y541 WeakPolarHBondContact CB-OH 3.11Å
517	S	94	Very high	93.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	26%	0.262	C	S	.	.			trans	-97.8	118.9	-175.8	-67.1	0	0	0	0	112.1	T489 C511 I512 A514 D534 D536	T489-S517 WeakPolarHBondContact OG1-CB 3.35Å; T489-S517 PolarHBondContact OG1-O 2.82Å; T489-S517 VanDerWaalsContact OG1-O 3.06Å; C511-S517 WeakPolarHBondContact CB-OG 3.48Å; I512-S517 WeakPolarHBondContact O-CB 3.14Å; I512-S517 PolarHBondContact O-OG 3.22Å; A514-S517 PolarHBondContact O-N 2.78Å; S517-D534 CarbonylContact C-O 3.54Å; S517-D534 WeakPolarHBondContact CA-O 3.36Å; S517-D536 VanDerWaalsContact OG-CB 3.29Å; S517-D536 WeakPolarHBondContact OG-CB 3.29Å; S517-D536 PolarHBondContact OG-N 2.86Å
518	F	94.4	Very high	93.4	Very high	80 Å²	80	41.4 Å²	41.4	35%	0.351	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.5	179	-64.6	-80.2	0	0	0	111.6	V476 S515 Y520 G533 D534	V476-F518 HydrophobicContact CG1-CE1 4.21Å; S515-F518 WeakPolarHBondContact O-CE2 3.36Å; S515-F518 WeakPolarHBondContact O-CZ 3.31Å; F518-Y520 HydrophobicContact CB-CE1 3.89Å; F518-G533 CarbonylContact O-C 3.48Å; F518-G533 WeakPolarHBondContact O-CA 3.36Å; F518-D534 PolarHBondContact N-O 3.27Å; F518-D534 PolarHBondContact O-N 3.39Å
519	V	96	Very high	93.8	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.8	175.1	-177.6	0	0	0	0	109.6	V462 F473 V531 L535	V462-V519 HydrophobicContact CG2-CB 4.33Å; V462-V519 HydrophobicContact CG2-CG1 3.37Å; F473-V519 HydrophobicContact CB-CG1 4.38Å; V519-V531 HydrophobicContact CB-CG1 4.34Å; V519-V531 HydrophobicContact CG1-CG1 3.51Å; V519-V531 HydrophobicContact CG2-CG1 3.89Å; V519-L535 HydrophobicContact CG2-CD2 4.07Å
520	Y	96	Very high	94.1	Very high	33 Å²	33	30.8 Å²	30.8	13%	0.129	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-28.5	178.2	-51.5	-36.8	0	0	0	112.9	F518 I532 D534 Y543 R567	F518-Y520 HydrophobicContact CB-CE1 3.89Å; Y520-I532 PolarHBondContact N-O 2.9Å; Y520-D534 WeakPolarHBondContact CE2-OD1 3.26Å; Y520-D534 PolarHBondContact OH-OD1 2.85Å; Y520-D534 PolarHBondContact OH-OD2 3.46Å; Y520-Y543 HydrophobicContact CD2-CE2 4.27Å; Y520-Y543 HydrophobicContact CE2-CE2 4.18Å; Y520-R567 HydrophobicContact CE1-CG 4.17Å
521	G	96.7	Very high	94.3	Very high	6 Å²	6	30.5 Å²	30.5	6%	0.062	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	154.4	-177.7	0	0	0	0	0	113.6	V531 I532	G521-V531 WeakPolarHBondContact O-CA 3.25Å; G521-I532 PolarHBondContact N-O 2.64Å; G521-I532 VanDerWaalsContact N-O 3.13Å; G521-I532 PolarHBondContact O-N 3.06Å
522	A	97.7	Very high	94.6	Very high	15 Å²	15	29.3 Å²	29.3	12%	0.124	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	113.2	171.6	0	0	0	0	0	108.2	V462 C464 F473 I529 Y530	V462-A522 HydrophobicContact CG2-CB 3.85Å; C464-A522 HydrophobicContact CB-CB 4.41Å; F473-A522 HydrophobicContact CD2-CB 3.54Å; F473-A522 HydrophobicContact CE2-CB 3.96Å; A522-I529 HydrophobicContact CB-CG2 4.14Å; A522-Y530 CarbonylContact C-O 3.55Å; A522-Y530 WeakPolarHBondContact CA-O 3.48Å
523	V	97.6	Very high	94.8	Very high	3 Å²	3	26 Å²	26	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	107.6	-166.9	178.7	0	0	0	0	109.5	I525 Y530 I532 C570 A572	V523-I525 HydrophobicContact CG1-CD1 3.98Å; V523-I525 HydrophobicContact CG1-CG1 4.09Å; V523-I525 PolarHBondContact O-N 2.8Å; V523-Y530 PolarHBondContact N-O 2.9Å; V523-Y530 PolarHBondContact O-N 2.86Å; V523-I532 HydrophobicContact CB-CD1 4.09Å; V523-I532 HydrophobicContact CG2-CD1 3.6Å; V523-C570 HydrophobicContact CG2-CB 3.96Å; V523-A572 HydrophobicContact CG1-CB 3.5Å; V523-A572 VanDerWaalsContact CG1-N 3.31Å
524	P	97.1	Very high	95.1	Very high	51 Å²	51	22.2 Å²	22.2	33%	0.331	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.3	175.8	29.2	-32	0	0	0	110.6	C464 V466 S528 I529	C464-P524 HydrophobicContact CB-CG 4.45Å; V466-P524 HydrophobicContact CG2-CB 3.75Å; V466-P524 HydrophobicContact CG2-CG 4.41Å; P524-S528 WeakPolarHBondContact CA-O 3.22Å; P524-I529 HydrophobicContact CB-CG1 4.44Å
525	I	96.6	Very high	95.4	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	124.6	175.2	-72.2	168.1	0	0	0	107.6	E273 I275 P297 L298 V523 A527 S528 Y530 A572	E273-I525 HydrophobicContact CB-CG1 4.35Å; E273-I525 HydrophobicContact CB-CG2 3.62Å; I275-I525 HydrophobicContact CG1-CD1 3.61Å; P297-I525 HydrophobicContact CG-CD1 3.87Å; P297-I525 HydrophobicContact CG-CG2 4.29Å; L298-I525 HydrophobicContact CD1-CG2 4.22Å; L298-I525 HydrophobicContact CG-CG2 4.29Å; V523-I525 HydrophobicContact CG1-CD1 3.98Å; V523-I525 HydrophobicContact CG1-CG1 4.09Å; V523-I525 PolarHBondContact O-N 2.8Å; I525-A527 PolarHBondContact O-N 2.79Å; I525-S528 PolarHBondContact N-O 3Å; I525-S528 PolarHBondContact O-N 2.89Å; I525-S528 VanDerWaalsContact O-N 3.11Å; I525-S528 VanDerWaalsContact O-O 3.08Å; I525-Y530 HydrophobicContact CB-CD2 3.9Å; I525-Y530 HydrophobicContact CB-CE2 3.7Å; I525-Y530 HydrophobicContact CD1-CD2 4.23Å; I525-Y530 HydrophobicContact CG1-CD2 4.43Å; I525-Y530 HydrophobicContact CG2-CE2 4.08Å; I525-A572 HydrophobicContact CD1-CB 4.42Å; I525-A572 HydrophobicContact CG1-CB 3.97Å
526	G	92	Very high	95.8	Very high	52 Å²	52	18.8 Å²	18.8	54%	0.536	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-127.2	-171.1	0	0	0	0	0	113	E273	E273-G526 PolarHBondContact OE2-N 3.1Å
527	A	92.5	Very high	95.9	Very high	61 Å²	61	19.1 Å²	19.1	50%	0.504	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6	179.7	0	0	0	0	0	113.9	I525 R549	I525-A527 PolarHBondContact O-N 2.79Å; A527-R549 PolarHBondContact O-NE 2.8Å
528	S	96.9	Very high	95.7	Very high	11 Å²	11	21.4 Å²	21.4	8%	0.077	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	161.6	-170.2	-62.7	0	0	0	0	112	P524 I525 E546 F547	P524-S528 WeakPolarHBondContact CA-O 3.22Å; I525-S528 PolarHBondContact N-O 3Å; I525-S528 PolarHBondContact O-N 2.89Å; I525-S528 VanDerWaalsContact O-N 3.11Å; I525-S528 VanDerWaalsContact O-O 3.08Å; S528-E546 WeakPolarHBondContact CB-OE1 3.43Å; S528-E546 PolarHBondContact OG-OE1 3.25Å; S528-F547 CarbonylContact C-O 3.56Å; S528-F547 WeakPolarHBondContact CA-O 3.37Å; S528-F547 WeakPolarHBondContact CB-O 3.34Å
529	I	98.1	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	169.2	-60.9	166.5	0	0	0	107.8	V466 Y471 F473 A522 P524 F547 R549	V466-I529 HydrophobicContact CG2-CD1 4.17Å; V466-I529 HydrophobicContact CG2-CG1 4.27Å; Y471-I529 HydrophobicContact CD1-CD1 3.87Å; Y471-I529 HydrophobicContact CD2-CD1 3.5Å; Y471-I529 VanDerWaalsContact CD2-CD1 3.5Å; Y471-I529 HydrophobicContact CE1-CD1 4.26Å; Y471-I529 HydrophobicContact CE2-CD1 3.92Å; Y471-I529 HydrophobicContact CG-CD1 3.47Å; Y471-I529 VanDerWaalsContact CG-CD1 3.47Å; F473-I529 HydrophobicContact CE2-CD1 4.26Å; F473-I529 HydrophobicContact CE2-CG2 3.78Å; F473-I529 HydrophobicContact CZ-CD1 4.15Å; F473-I529 HydrophobicContact CZ-CG2 4.08Å; A522-I529 HydrophobicContact CB-CG2 4.14Å; P524-I529 HydrophobicContact CB-CG1 4.44Å; I529-F547 HydrophobicContact CB-CB 4.38Å; I529-F547 HydrophobicContact CD1-CD1 4.36Å; I529-F547 PolarHBondContact N-O 2.86Å; I529-F547 WeakPolarHBondContact O-CB 3.4Å; I529-F547 PolarHBondContact O-N 3.31Å; I529-R549 HydrophobicContact CD1-CG 4.16Å; I529-R549 HydrophobicContact CG1-CG 4.33Å
530	Y	97.8	Very high	95.4	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.5	176.6	-64.8	-89.5	0	0	0	109.8	I275 P297 A522 V523 I525 I532 V544 R545 E546 T557	I275-Y530 HydrophobicContact CD1-CD1 3.85Å; I275-Y530 HydrophobicContact CD1-CD2 4.32Å; I275-Y530 HydrophobicContact CD1-CG 3.63Å; I275-Y530 HydrophobicContact CG1-CG 4.32Å; P297-Y530 HydrophobicContact CB-CD1 3.97Å; P297-Y530 HydrophobicContact CB-CE1 3.41Å; P297-Y530 VanDerWaalsContact CB-CE1 3.41Å; P297-Y530 HydrophobicContact CB-CE2 4.12Å; P297-Y530 VanDerWaalsContact CB-CZ 3.49Å; P297-Y530 HydrophobicContact CG-CD2 4.3Å; P297-Y530 HydrophobicContact CG-CE1 4.1Å; P297-Y530 HydrophobicContact CG-CE2 3.87Å; A522-Y530 CarbonylContact C-O 3.55Å; A522-Y530 WeakPolarHBondContact CA-O 3.48Å; V523-Y530 PolarHBondContact N-O 2.9Å; V523-Y530 PolarHBondContact O-N 2.86Å; I525-Y530 HydrophobicContact CB-CD2 3.9Å; I525-Y530 HydrophobicContact CB-CE2 3.7Å; I525-Y530 HydrophobicContact CD1-CD2 4.23Å; I525-Y530 HydrophobicContact CG1-CD2 4.43Å; I525-Y530 HydrophobicContact CG2-CE2 4.08Å; Y530-I532 WeakPolarHBondContact O-CD1 3.27Å; Y530-V544 HydrophobicContact CD1-CG1 4.14Å; Y530-R545 CarbonylContact C-O 3.57Å; Y530-R545 WeakPolarHBondContact CA-O 3.46Å; Y530-E546 HydrophobicContact CD1-CB 3.89Å; Y530-E546 HydrophobicContact CD1-CG 4.21Å; Y530-E546 HydrophobicContact CE1-CB 3.61Å; Y530-E546 HydrophobicContact CE1-CG 3.65Å; Y530-T557 HydrophobicContact CE1-CG2 4.44Å
531	V	97.8	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.7	177.1	176.5	0	0	0	0	109	F473 L510 V519 G521 L535 V544 R545 W554	F473-V531 HydrophobicContact CB-CG2 4.38Å; F473-V531 HydrophobicContact CD1-CG2 3.92Å; F473-V531 HydrophobicContact CD2-CG2 4.15Å; F473-V531 HydrophobicContact CE1-CG2 4.22Å; F473-V531 HydrophobicContact CE2-CG2 4.4Å; F473-V531 HydrophobicContact CG-CG2 3.88Å; F473-V531 HydrophobicContact CZ-CG2 4.44Å; L510-V531 HydrophobicContact CD1-CG1 4.35Å; V519-V531 HydrophobicContact CB-CG1 4.34Å; V519-V531 HydrophobicContact CG1-CG1 3.51Å; V519-V531 HydrophobicContact CG2-CG1 3.89Å; G521-V531 WeakPolarHBondContact O-CA 3.25Å; V531-L535 HydrophobicContact CG1-CD1 4.49Å; V531-L535 HydrophobicContact CG1-CD2 4.39Å; V531-V544 WeakPolarHBondContact O-CA 3.49Å; V531-R545 PolarHBondContact N-O 3.23Å; V531-R545 PolarHBondContact O-N 3.08Å; V531-W554 HydrophobicContact CB-CH2 4.36Å; V531-W554 HydrophobicContact CB-CZ3 4.05Å; V531-W554 HydrophobicContact CG2-CH2 3.61Å; V531-W554 HydrophobicContact CG2-CZ3 3.68Å
532	I	97.5	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.5	-177.8	-55.6	94.2	0	0	0	108.6	I275 T277 Y520 G521 V523 Y530 Y543 V544 C570	I275-I532 HydrophobicContact CG2-CD1 3.8Å; I275-I532 HydrophobicContact CG2-CG1 3.89Å; T277-I532 HydrophobicContact CG2-CG2 4.47Å; Y520-I532 PolarHBondContact N-O 2.9Å; G521-I532 PolarHBondContact N-O 2.64Å; G521-I532 VanDerWaalsContact N-O 3.13Å; G521-I532 PolarHBondContact O-N 3.06Å; V523-I532 HydrophobicContact CB-CD1 4.09Å; V523-I532 HydrophobicContact CG2-CD1 3.6Å; Y530-I532 WeakPolarHBondContact O-CD1 3.27Å; I532-Y543 VanDerWaalsContact CA-O 3.3Å; I532-Y543 WeakPolarHBondContact CA-O 3.01Å; I532-Y543 HydrophobicContact CG2-CD2 4.49Å; I532-Y543 HydrophobicContact CG2-CE1 4.13Å; I532-Y543 HydrophobicContact CG2-CE2 4.08Å; I532-V544 HydrophobicContact CG1-CG1 4.46Å; I532-V544 HydrophobicContact CG1-CG2 4.12Å; I532-C570 HydrophobicContact CD1-CB 4.27Å
533	G	96.5	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	176.8	-173.1	0	0	0	0	0	114.6	F518 L535 D542 Y543	F518-G533 CarbonylContact O-C 3.48Å; F518-G533 WeakPolarHBondContact O-CA 3.36Å; G533-L535 PolarHBondContact O-N 3.33Å; G533-D542 VanDerWaalsContact O-O 3.13Å; G533-Y543 PolarHBondContact N-O 2.92Å; G533-Y543 WeakPolarHBondContact O-CA 2.91Å; G533-Y543 VanDerWaalsContact O-CD2 3.3Å; G533-Y543 WeakPolarHBondContact O-CD2 3.48Å
534	D	95.7	Very high	95.1	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	95.4	159.9	-69.9	3	0	0	0	106.6	R283 S517 F518 Y520 R566	R283-D534 IonicContact CZ-OD1 3.27Å; R283-D534 IonicContact CZ-OD2 2.99Å; R283-D534 IonicContact NH1-OD1 3.95Å; R283-D534 PolarHBondContact NH1-OD1 2.55Å; R283-D534 IonicContact NH1-OD2 3.87Å; R283-D534 PolarHBondContact NH1-OD2 2.85Å; R283-D534 IonicContact NH2-OD1 3.64Å; R283-D534 PolarHBondContact NH2-OD1 3.06Å; R283-D534 IonicContact NH2-OD2 3.15Å; S517-D534 CarbonylContact C-O 3.54Å; S517-D534 WeakPolarHBondContact CA-O 3.36Å; F518-D534 PolarHBondContact N-O 3.27Å; F518-D534 PolarHBondContact O-N 3.39Å; Y520-D534 WeakPolarHBondContact CE2-OD1 3.26Å; Y520-D534 PolarHBondContact OH-OD1 2.85Å; Y520-D534 PolarHBondContact OH-OD2 3.46Å; D534-R566 IonicContact OD2-CZ 3.43Å; D534-R566 IonicContact OD2-NE 3.64Å; D534-R566 PolarHBondContact OD2-NE 2.99Å; D534-R566 VanDerWaalsContact OD2-NE 3.15Å; D534-R566 IonicContact OD2-NH2 2.69Å
535	L	95.8	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	99.9	-174	-54.4	176	0	0	0	110.4	L510 C511 V519 V531 G533 T537 Y541 D542 R545	L510-L535 HydrophobicContact CD1-CD1 4.37Å; L510-L535 HydrophobicContact CD1-CD2 4.46Å; C511-L535 HydrophobicContact CB-CB 4.15Å; C511-L535 HydrophobicContact CB-CD2 4.5Å; V519-L535 HydrophobicContact CG2-CD2 4.07Å; V531-L535 HydrophobicContact CG1-CD1 4.49Å; V531-L535 HydrophobicContact CG1-CD2 4.39Å; G533-L535 PolarHBondContact O-N 3.33Å; L535-T537 PolarHBondContact O-N 2.86Å; L535-Y541 WeakPolarHBondContact O-CA 3.44Å; L535-D542 HydrophobicContact CB-CB 4.24Å; L535-D542 WeakPolarHBondContact CB-O 3.42Å; L535-D542 PolarHBondContact N-O 2.75Å; L535-D542 PolarHBondContact O-N 3.14Å; L535-R545 HydrophobicContact CD1-CB 4.1Å; L535-R545 HydrophobicContact CD1-CG 3.86Å
536	D	94.9	Very high	95.1	Very high	22 Å²	22	30.8 Å²	30.8	12%	0.118	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123	179.6	-169.3	-14.3	0	0	0	110.6	C511 I512 S516 S517 G538 Y541	C511-D536 CarbonylContact C-O 3.49Å; C511-D536 WeakPolarHBondContact CA-O 3.48Å; C511-D536 VanDerWaalsContact CB-O 3.3Å; C511-D536 WeakPolarHBondContact CB-O 3.23Å; I512-D536 PolarHBondContact N-O 2.97Å; S516-D536 WeakPolarHBondContact CB-OD2 3.44Å; S516-D536 PolarHBondContact OG-OD2 3.24Å; S517-D536 VanDerWaalsContact OG-CB 3.29Å; S517-D536 WeakPolarHBondContact OG-CB 3.29Å; S517-D536 PolarHBondContact OG-N 2.86Å; D536-G538 WeakPolarHBondContact OD1-CA 3.31Å; D536-G538 PolarHBondContact OD1-N 2.59Å; D536-Y541 HydrophobicContact CB-CD1 4.13Å; D536-Y541 HydrophobicContact CB-CE1 3.64Å; D536-Y541 PolarHBondContact OD2-OH 2.94Å
537	T	91.8	Very high	95.3	Very high	38 Å²	38	28.5 Å²	28.5	23%	0.233	17%	0.17	C	C	.	.			trans	-102.1	1.1	178.7	69.3	0	0	0	0	112.8	L535 T539 N540 D542 R545	L535-T537 PolarHBondContact O-N 2.86Å; T537-T539 VanDerWaalsContact C-N 3.25Å; T537-T539 PolarHBondContact O-N 2.96Å; T537-N540 WeakPolarHBondContact CB-O 3.34Å; T537-N540 PolarHBondContact N-O 3.47Å; T537-N540 VanDerWaalsContact OG1-C 3.32Å; T537-N540 PolarHBondContact OG1-N 2.7Å; T537-N540 VanDerWaalsContact OG1-N 3.13Å; T537-N540 PolarHBondContact OG1-O 3.42Å; T537-D542 HydrophobicContact CG2-CB 4.34Å; T537-R545 VanDerWaalsContact CG2-NH2 3.31Å
538	G	90.8	Very high	95.5	Very high	49 Å²	49	28.9 Å²	28.9	51%	0.505	16%	0.16	S	C	.	.	S	Bend	trans	86.3	-22.4	-175.4	0	0	0	0	0	115.1	D536	D536-G538 WeakPolarHBondContact OD1-CA 3.31Å; D536-G538 PolarHBondContact OD1-N 2.59Å
539	T	90.9	Very high	95.4	Very high	126 Å²	126	31.7 Å²	31.7	77%	0.773	17%	0.169	S	C	*	.	S	Bend	trans	-118.4	-31.9	175.8	56.8	0	0	0	0	112.4	T537	T537-T539 VanDerWaalsContact C-N 3.25Å; T537-T539 PolarHBondContact O-N 2.96Å
540	N	93	Very high	95.2	Very high	116 Å²	116	36.8 Å²	36.8	62%	0.62	20%	0.204	S	C	*	.	S	Bend	trans	-147.3	-179.9	177.5	-89.2	-44.3	0	0	0	110.2	T537	T537-N540 WeakPolarHBondContact CB-O 3.34Å; T537-N540 PolarHBondContact N-O 3.47Å; T537-N540 VanDerWaalsContact OG1-C 3.32Å; T537-N540 PolarHBondContact OG1-N 2.7Å; T537-N540 VanDerWaalsContact OG1-N 3.13Å; T537-N540 PolarHBondContact OG1-O 3.42Å
541	Y	94.5	Very high	95	Very high	91 Å²	91	40.7 Å²	40.7	36%	0.357	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.1	168.8	-72.3	-101.5	0	0	0	110.1	S516 L535 D536 L560	S516-Y541 VanDerWaalsContact CB-OH 3.25Å; S516-Y541 WeakPolarHBondContact CB-OH 3.11Å; L535-Y541 WeakPolarHBondContact O-CA 3.44Å; D536-Y541 HydrophobicContact CB-CD1 4.13Å; D536-Y541 HydrophobicContact CB-CE1 3.64Å; D536-Y541 PolarHBondContact OD2-OH 2.94Å; Y541-L560 VanDerWaalsContact CB-CD2 3.5Å; Y541-L560 HydrophobicContact CD1-CD2 4.43Å; Y541-L560 HydrophobicContact CG-CD2 4.08Å; Y541-L560 VanDerWaalsContact O-CB 3.3Å; Y541-L560 WeakPolarHBondContact O-CB 3.29Å; Y541-L560 PolarHBondContact O-N 3Å
542	D	95.3	Very high	94.8	Very high	8 Å²	8	42 Å²	42	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.7	165	-70.7	-15.3	0	0	0	109.7	G533 L535 T537 R545 H556	G533-D542 VanDerWaalsContact O-O 3.13Å; L535-D542 HydrophobicContact CB-CB 4.24Å; L535-D542 WeakPolarHBondContact CB-O 3.42Å; L535-D542 PolarHBondContact N-O 2.75Å; L535-D542 PolarHBondContact O-N 3.14Å; T537-D542 HydrophobicContact CG2-CB 4.34Å; D542-R545 HydrophobicContact CB-CG 4.3Å; D542-R545 IonicContact OD2-CZ 3.78Å; D542-R545 IonicContact OD2-NE 3.81Å; D542-R545 PolarHBondContact OD2-NE 3.09Å; D542-R545 IonicContact OD2-NH2 3.97Å; D542-R545 PolarHBondContact OD2-NH2 3.25Å; D542-H556 VanDerWaalsContact CG-CE1 3.48Å; D542-H556 IonicContact OD1-CE1 3.73Å; D542-H556 PolarHBondContact OD1-CE1 2.98Å; D542-H556 IonicContact OD1-ND1 3.44Å; D542-H556 PolarHBondContact OD1-ND1 2.99Å; D542-H556 VanDerWaalsContact OD1-ND1 3.1Å; D542-H556 IonicContact OD2-CE1 2.75Å; D542-H556 IonicContact OD2-CG 2.63Å; D542-H556 IonicContact OD2-ND1 2.67Å; D542-H556 PolarHBondContact OD2-ND1 3.15Å
543	Y	95.9	Very high	94.7	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-30.9	174.4	-167.6	-129.5	0	0	0	112.5	T277 W306 Y520 I532 G533 K558 L560 D564 L565 T568	T277-Y543 HydrophobicContact CG2-CE1 4.5Å; W306-Y543 HydrophobicContact CH2-CE1 4.37Å; W306-Y543 AromaticContact CZ2-CD1 3.7Å; W306-Y543 HydrophobicContact CZ2-CD1 3.7Å; W306-Y543 AromaticContact CZ2-CE1 3.52Å; W306-Y543 HydrophobicContact CZ2-CE1 3.52Å; Y520-Y543 HydrophobicContact CD2-CE2 4.27Å; Y520-Y543 HydrophobicContact CE2-CE2 4.18Å; I532-Y543 VanDerWaalsContact CA-O 3.3Å; I532-Y543 WeakPolarHBondContact CA-O 3.01Å; I532-Y543 HydrophobicContact CG2-CD2 4.49Å; I532-Y543 HydrophobicContact CG2-CE1 4.13Å; I532-Y543 HydrophobicContact CG2-CE2 4.08Å; G533-Y543 PolarHBondContact N-O 2.92Å; G533-Y543 WeakPolarHBondContact O-CA 2.91Å; G533-Y543 VanDerWaalsContact O-CD2 3.3Å; G533-Y543 WeakPolarHBondContact O-CD2 3.48Å; Y543-K558 HydrophobicContact CD1-CD 4.49Å; Y543-K558 PolarHBondContact N-O 3.24Å; Y543-L560 HydrophobicContact CD2-CD1 3.56Å; Y543-L560 HydrophobicContact CE2-CD1 4.37Å; Y543-L560 HydrophobicContact CG-CD1 3.88Å; Y543-D564 HydrophobicContact CD1-CB 4.09Å; Y543-D564 HydrophobicContact CD2-CB 4.36Å; Y543-D564 HydrophobicContact CE1-CB 4.12Å; Y543-D564 HydrophobicContact CE2-CB 4.39Å; Y543-D564 HydrophobicContact CG-CB 4.23Å; Y543-L565 WeakPolarHBondContact CE2-O 3.5Å; Y543-L565 PolarHBondContact OH-O 3.04Å; Y543-T568 PolarHBondContact OH-OG1 3.43Å
544	V	96.3	Very high	94.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.1	178.4	-174.1	0	0	0	0	110	I275 M295 W306 Y530 V531 I532 T557 K558	I275-V544 HydrophobicContact CD1-CG1 3.79Å; M295-V544 HydrophobicContact CE-CB 4.29Å; M295-V544 HydrophobicContact CE-CG1 4.2Å; M295-V544 HydrophobicContact CE-CG2 3.99Å; W306-V544 HydrophobicContact CZ2-CG2 4.32Å; Y530-V544 HydrophobicContact CD1-CG1 4.14Å; V531-V544 WeakPolarHBondContact O-CA 3.49Å; I532-V544 HydrophobicContact CG1-CG1 4.46Å; I532-V544 HydrophobicContact CG1-CG2 4.12Å; V544-T557 HydrophobicContact CG1-CG2 4.18Å; V544-T557 WeakPolarHBondContact O-CB 3.25Å; V544-T557 PolarHBondContact O-N 2.69Å; V544-K558 HydrophobicContact CB-CB 3.92Å; V544-K558 HydrophobicContact CG2-CB 4.12Å; V544-K558 PolarHBondContact N-O 3.25Å; V544-K558 PolarHBondContact O-N 3.44Å; V544-K558 VanDerWaalsContact O-N 3.07Å
545	R	95.8	Very high	94.6	Very high	31 Å²	31	48.2 Å²	48.2	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.4	166.7	-73	-145.5	175.1	-149	-0.1	111.8	N509 L510 Y530 V531 L535 T537 D542 W554	N509-R545 VanDerWaalsContact O-CD 3.25Å; N509-R545 WeakPolarHBondContact O-CD 3.28Å; N509-R545 VanDerWaalsContact O-CZ 3.28Å; N509-R545 PolarHBondContact O-NH1 3.03Å; L510-R545 WeakPolarHBondContact O-CD 3.47Å; L510-R545 PolarHBondContact O-NE 3.11Å; Y530-R545 CarbonylContact C-O 3.57Å; Y530-R545 WeakPolarHBondContact CA-O 3.46Å; V531-R545 PolarHBondContact N-O 3.23Å; V531-R545 PolarHBondContact O-N 3.08Å; L535-R545 HydrophobicContact CD1-CB 4.1Å; L535-R545 HydrophobicContact CD1-CG 3.86Å; T537-R545 VanDerWaalsContact CG2-NH2 3.31Å; D542-R545 HydrophobicContact CB-CG 4.3Å; D542-R545 IonicContact OD2-CZ 3.78Å; D542-R545 IonicContact OD2-NE 3.81Å; D542-R545 PolarHBondContact OD2-NE 3.09Å; D542-R545 IonicContact OD2-NH2 3.97Å; D542-R545 PolarHBondContact OD2-NH2 3.25Å; R545-W554 HydrophobicContact CB-CE3 4.03Å; R545-W554 HydrophobicContact CB-CZ3 4.33Å
546	E	96.4	Very high	94.3	Very high	28 Å²	28	53.1 Å²	53.1	13%	0.131	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.9	175.2	-179.2	-167.5	-166.3	0	0	109.8	S528 Y530 K548 W554 H555 T557	S528-E546 WeakPolarHBondContact CB-OE1 3.43Å; S528-E546 PolarHBondContact OG-OE1 3.25Å; Y530-E546 HydrophobicContact CD1-CB 3.89Å; Y530-E546 HydrophobicContact CD1-CG 4.21Å; Y530-E546 HydrophobicContact CE1-CB 3.61Å; Y530-E546 HydrophobicContact CE1-CG 3.65Å; E546-K548 HydrophobicContact CG-CG 4.15Å; E546-K548 WeakPolarHBondContact OE1-CE 3.43Å; E546-K548 WeakPolarHBondContact OE1-CG 3.22Å; E546-K548 WeakPolarHBondContact OE2-CE 3.14Å; E546-K548 IonicContact OE2-NZ 2.68Å; E546-W554 CarbonylContact O-C 3.58Å; E546-W554 WeakPolarHBondContact O-CA 3.46Å; E546-H555 HydrophobicContact CB-CB 4.27Å; E546-H555 PolarHBondContact N-O 2.98Å; E546-H555 PolarHBondContact O-N 2.98Å; E546-T557 PolarHBondContact N-OG1 3.35Å
547	F	97.7	Very high	94.1	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.1	164.5	-179.4	-112	0	0	0	109.7	Y471 F473 L505 S528 I529 R549 W554	Y471-F547 HydrophobicContact CD1-CE1 4.22Å; Y471-F547 HydrophobicContact CE1-CD1 4.41Å; Y471-F547 AromaticContact CE1-CE1 3.65Å; Y471-F547 HydrophobicContact CE1-CE1 3.65Å; Y471-F547 HydrophobicContact CE1-CZ 4.47Å; F473-F547 HydrophobicContact CZ-CD1 4.47Å; L505-F547 HydrophobicContact CD1-CE1 4.1Å; L505-F547 HydrophobicContact CD1-CE2 4.19Å; L505-F547 HydrophobicContact CD1-CZ 3.87Å; L505-F547 HydrophobicContact CD2-CE1 4.37Å; L505-F547 HydrophobicContact CD2-CE2 4.43Å; L505-F547 HydrophobicContact CD2-CZ 3.74Å; L505-F547 HydrophobicContact CG-CZ 4.37Å; S528-F547 CarbonylContact C-O 3.56Å; S528-F547 WeakPolarHBondContact CA-O 3.37Å; S528-F547 WeakPolarHBondContact CB-O 3.34Å; I529-F547 HydrophobicContact CB-CB 4.38Å; I529-F547 HydrophobicContact CD1-CD1 4.36Å; I529-F547 PolarHBondContact N-O 2.86Å; I529-F547 WeakPolarHBondContact O-CB 3.4Å; I529-F547 PolarHBondContact O-N 3.31Å; F547-R549 HydrophobicContact CD1-CG 3.94Å; F547-R549 HydrophobicContact CE1-CB 4.43Å; F547-R549 HydrophobicContact CE1-CG 3.87Å; F547-R549 PolarHBondContact O-N 3.18Å; F547-W554 HydrophobicContact CB-CD2 4.27Å; F547-W554 HydrophobicContact CB-CE3 3.84Å; F547-W554 HydrophobicContact CB-CH2 3.74Å; F547-W554 HydrophobicContact CB-CZ2 4.16Å; F547-W554 HydrophobicContact CB-CZ3 3.56Å; F547-W554 AromaticContact CD2-CD2 3.97Å; F547-W554 HydrophobicContact CD2-CD2 3.97Å; F547-W554 AromaticContact CD2-CE2 3.64Å; F547-W554 HydrophobicContact CD2-CE3 4.4Å; F547-W554 HydrophobicContact CD2-CG 4.45Å; F547-W554 HydrophobicContact CD2-CH2 4.29Å; F547-W554 AromaticContact CD2-CZ2 3.82Å; F547-W554 HydrophobicContact CD2-CZ2 3.82Å; F547-W554 AromaticContact CD2-NE1 3.92Å; F547-W554 HydrophobicContact CG-CH2 4.22Å; F547-W554 HydrophobicContact CG-CZ2 4.18Å; F547-W554 HydrophobicContact CG-CZ3 4.43Å
548	K	96	Very high	94.1	Very high	69 Å²	69	51.6 Å²	51.6	30%	0.3	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.6	174.4	-70.5	-170.1	-174.9	178.9	0	109.7	E546 S550 T551 G552 T553	E546-K548 HydrophobicContact CG-CG 4.15Å; E546-K548 WeakPolarHBondContact OE1-CE 3.43Å; E546-K548 WeakPolarHBondContact OE1-CG 3.22Å; E546-K548 WeakPolarHBondContact OE2-CE 3.14Å; E546-K548 IonicContact OE2-NZ 2.68Å; K548-S550 VanDerWaalsContact C-N 3.3Å; K548-S550 PolarHBondContact O-N 2.89Å; K548-T551 WeakPolarHBondContact CB-OG1 3.41Å; K548-T551 PolarHBondContact O-N 2.88Å; K548-T551 PolarHBondContact O-OG1 2.87Å; K548-G552 WeakPolarHBondContact O-CA 3.47Å; K548-G552 PolarHBondContact O-N 3Å; K548-T553 PolarHBondContact N-O 3.34Å; K548-T553 PolarHBondContact O-N 3.07Å
549	R	94.6	Very high	94.2	Very high	70 Å²	70	52.2 Å²	52.2	26%	0.264	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-34.3	-177.3	-63	-172.7	-62.8	134.4	-3.4	113.2	V466 E469 A527 I529 F547 T551	V466-R549 VanDerWaalsContact CG1-NH2 3.34Å; E469-R549 IonicContact OE2-NH1 3.83Å; A527-R549 PolarHBondContact O-NE 2.8Å; I529-R549 HydrophobicContact CD1-CG 4.16Å; I529-R549 HydrophobicContact CG1-CG 4.33Å; F547-R549 HydrophobicContact CD1-CG 3.94Å; F547-R549 HydrophobicContact CE1-CB 4.43Å; F547-R549 HydrophobicContact CE1-CG 3.87Å; F547-R549 PolarHBondContact O-N 3.18Å; R549-T551 VanDerWaalsContact C-N 3.29Å; R549-T551 PolarHBondContact O-N 2.86Å
550	S	93.8	Very high	94.4	Very high	106 Å²	106	47.8 Å²	47.8	74%	0.741	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.1	-179	55.1	0	0	0	0	113.9	K548	K548-S550 VanDerWaalsContact C-N 3.3Å; K548-S550 PolarHBondContact O-N 2.89Å
551	T	94.7	Very high	94.3	Very high	87 Å²	87	45.9 Å²	45.9	53%	0.534	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-15.3	-178.7	52.6	0	0	0	0	113	K548 R549 T553	K548-T551 WeakPolarHBondContact CB-OG1 3.41Å; K548-T551 PolarHBondContact O-N 2.88Å; K548-T551 PolarHBondContact O-OG1 2.87Å; R549-T551 VanDerWaalsContact C-N 3.29Å; R549-T551 PolarHBondContact O-N 2.86Å; T551-T553 VanDerWaalsContact C-N 3.29Å; T551-T553 PolarHBondContact OG1-OG1 2.84Å
552	G	93.6	Very high	94.1	Very high	28 Å²	28	47 Å²	47	29%	0.289	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	28.8	-173.2	0	0	0	0	0	113.2	K548	K548-G552 WeakPolarHBondContact O-CA 3.47Å; K548-G552 PolarHBondContact O-N 3Å
553	T	95.4	Very high	93.8	Very high	58 Å²	58	49.9 Å²	49.9	36%	0.356	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.3	-173.6	56.9	0	0	0	0	113.1	K548 T551 H555	K548-T553 PolarHBondContact N-O 3.34Å; K548-T553 PolarHBondContact O-N 3.07Å; T551-T553 VanDerWaalsContact C-N 3.29Å; T551-T553 PolarHBondContact OG1-OG1 2.84Å; T553-H555 PolarHBondContact OG1-NE2 3.01Å
554	W	95.8	Very high	93.8	Very high	13 Å²	13	50 Å²	50	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.9	175.3	-67.2	97.4	0	0	0	112.1	F473 N506 N509 L510 V531 R545 E546 F547	F473-W554 AromaticContact CD1-CH2 3.7Å; F473-W554 HydrophobicContact CD1-CH2 3.7Å; F473-W554 HydrophobicContact CD1-CZ2 4.03Å; F473-W554 AromaticContact CE1-CH2 3.5Å; F473-W554 HydrophobicContact CE1-CH2 3.5Å; F473-W554 VanDerWaalsContact CE1-CH2 3.5Å; F473-W554 AromaticContact CE1-CZ2 3.74Å; F473-W554 HydrophobicContact CE1-CZ2 3.74Å; F473-W554 HydrophobicContact CZ-CH2 4.45Å; N506-W554 PolarHBondContact O-NE1 3.02Å; N509-W554 HydrophobicContact CB-CB 4.22Å; N509-W554 VanDerWaalsContact O-CB 3.27Å; N509-W554 WeakPolarHBondContact O-CB 3.33Å; L510-W554 HydrophobicContact CB-CD2 4.01Å; L510-W554 HydrophobicContact CB-CE3 4.49Å; L510-W554 HydrophobicContact CB-CG 4.32Å; L510-W554 HydrophobicContact CB-CZ2 4.17Å; L510-W554 HydrophobicContact CD1-CD2 4.21Å; L510-W554 HydrophobicContact CD1-CE3 3.84Å; L510-W554 HydrophobicContact CD1-CH2 3.7Å; L510-W554 HydrophobicContact CD1-CZ2 4.09Å; L510-W554 HydrophobicContact CD1-CZ3 3.56Å; L510-W554 HydrophobicContact CD2-CH2 3.96Å; L510-W554 HydrophobicContact CD2-CZ2 3.75Å; L510-W554 HydrophobicContact CG-CH2 4.28Å; L510-W554 HydrophobicContact CG-CZ2 4.2Å; V531-W554 HydrophobicContact CB-CH2 4.36Å; V531-W554 HydrophobicContact CB-CZ3 4.05Å; V531-W554 HydrophobicContact CG2-CH2 3.61Å; V531-W554 HydrophobicContact CG2-CZ3 3.68Å; R545-W554 HydrophobicContact CB-CE3 4.03Å; R545-W554 HydrophobicContact CB-CZ3 4.33Å; E546-W554 CarbonylContact O-C 3.58Å; E546-W554 WeakPolarHBondContact O-CA 3.46Å; F547-W554 HydrophobicContact CB-CD2 4.27Å; F547-W554 HydrophobicContact CB-CE3 3.84Å; F547-W554 HydrophobicContact CB-CH2 3.74Å; F547-W554 HydrophobicContact CB-CZ2 4.16Å; F547-W554 HydrophobicContact CB-CZ3 3.56Å; F547-W554 AromaticContact CD2-CD2 3.97Å; F547-W554 HydrophobicContact CD2-CD2 3.97Å; F547-W554 AromaticContact CD2-CE2 3.64Å; F547-W554 HydrophobicContact CD2-CE3 4.4Å; F547-W554 HydrophobicContact CD2-CG 4.45Å; F547-W554 HydrophobicContact CD2-CH2 4.29Å; F547-W554 AromaticContact CD2-CZ2 3.82Å; F547-W554 HydrophobicContact CD2-CZ2 3.82Å; F547-W554 AromaticContact CD2-NE1 3.92Å; F547-W554 HydrophobicContact CG-CH2 4.22Å; F547-W554 HydrophobicContact CG-CZ2 4.18Å; F547-W554 HydrophobicContact CG-CZ3 4.43Å
555	H	93.8	Very high	93.7	Very high	68 Å²	68	50.5 Å²	50.5	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.3	177.2	-62	-90.3	0	0	0	110.7	E546 T553	E546-H555 HydrophobicContact CB-CB 4.27Å; E546-H555 PolarHBondContact N-O 2.98Å; E546-H555 PolarHBondContact O-N 2.98Å; T553-H555 PolarHBondContact OG1-NE2 3.01Å
556	H	89.8	Confident	93.7	Very high	102 Å²	102	51.1 Å²	51.1	47%	0.472	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.4	174	176.9	82.7	0	0	0	109.9	D542	D542-H556 VanDerWaalsContact CG-CE1 3.48Å; D542-H556 IonicContact OD1-CE1 3.73Å; D542-H556 PolarHBondContact OD1-CE1 2.98Å; D542-H556 IonicContact OD1-ND1 3.44Å; D542-H556 PolarHBondContact OD1-ND1 2.99Å; D542-H556 VanDerWaalsContact OD1-ND1 3.1Å; D542-H556 IonicContact OD2-CE1 2.75Å; D542-H556 IonicContact OD2-CG 2.63Å; D542-H556 IonicContact OD2-ND1 2.67Å; D542-H556 PolarHBondContact OD2-ND1 3.15Å
557	T	90.4	Very high	93.6	Very high	16 Å²	16	55.5 Å²	55.5	10%	0.098	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-52.6	178	-50.1	0	0	0	0	110.8	M295 Q304 Y530 V544 E546	M295-T557 HydrophobicContact CE-CG2 4.15Å; Q304-T557 VanDerWaalsContact OE1-CG2 3.23Å; Q304-T557 PolarHBondContact OE1-O 3.27Å; Q304-T557 VanDerWaalsContact OE1-O 3.1Å; Y530-T557 HydrophobicContact CE1-CG2 4.44Å; V544-T557 HydrophobicContact CG1-CG2 4.18Å; V544-T557 WeakPolarHBondContact O-CB 3.25Å; V544-T557 PolarHBondContact O-N 2.69Å; E546-T557 PolarHBondContact N-OG1 3.35Å
558	K	91.9	Very high	93.6	Very high	13 Å²	13	55.5 Å²	55.5	6%	0.057	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.1	-176	-158	-164.4	-174.7	88.1	0	112.6	M295 Q304 W306 Y543 V544	M295-K558 HydrophobicContact SD-CB 4.45Å; M295-K558 HydrophobicContact SD-CD 3.89Å; M295-K558 HydrophobicContact SD-CG 4.35Å; Q304-K558 PolarHBondContact O-NZ 2.97Å; W306-K558 HydrophobicContact CZ2-CD 4.18Å; Y543-K558 HydrophobicContact CD1-CD 4.49Å; Y543-K558 PolarHBondContact N-O 3.24Å; V544-K558 HydrophobicContact CB-CB 3.92Å; V544-K558 HydrophobicContact CG2-CB 4.12Å; V544-K558 PolarHBondContact N-O 3.25Å; V544-K558 PolarHBondContact O-N 3.44Å; V544-K558 VanDerWaalsContact O-N 3.07Å
559	P	93	Very high	93.7	Very high	61 Å²	61	52.7 Å²	52.7	40%	0.396	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	153.7	169.3	31.3	-35.1	0	0	0	110.4	L561	P559-L561 PolarHBondContact O-N 3.11Å
560	L	94.1	Very high	93.8	Very high	34 Å²	34	50.3 Å²	50.3	18%	0.178	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-76	121.6	174.1	-179.5	67	0	0	0	110.9	R283 Y541 Y543 D564	R283-L560 VanDerWaalsContact NH2-CD1 3.33Å; Y541-L560 VanDerWaalsContact CB-CD2 3.5Å; Y541-L560 HydrophobicContact CD1-CD2 4.43Å; Y541-L560 HydrophobicContact CG-CD2 4.08Å; Y541-L560 VanDerWaalsContact O-CB 3.3Å; Y541-L560 WeakPolarHBondContact O-CB 3.29Å; Y541-L560 PolarHBondContact O-N 3Å; Y543-L560 HydrophobicContact CD2-CD1 3.56Å; Y543-L560 HydrophobicContact CE2-CD1 4.37Å; Y543-L560 HydrophobicContact CG-CD1 3.88Å; L560-D564 HydrophobicContact CD1-CB 3.64Å
561	L	92.3	Very high	94	Very high	75 Å²	75	45.5 Å²	45.5	39%	0.393	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-101.7	155	177.8	-57.6	179.6	0	0	0	111.3	P559 S563 D564	P559-L561 PolarHBondContact O-N 3.11Å; L561-S563 PolarHBondContact O-N 2.87Å; L561-S563 VanDerWaalsContact O-N 3.11Å; L561-D564 WeakPolarHBondContact CB-OD2 3.03Å; L561-D564 PolarHBondContact N-OD2 2.99Å; L561-D564 WeakPolarHBondContact O-CB 3.36Å; L561-D564 PolarHBondContact O-N 2.62Å
562	P	89.6	Confident	94.2	Very high	114 Å²	114	42.9 Å²	42.9	74%	0.74	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.9	176.3	-25.7	35	0	0	0	114.4	D564	P562-D564 VanDerWaalsContact C-N 3.34Å
563	S	90.1	Very high	94.4	Very high	70 Å²	70	41.8 Å²	41.8	49%	0.49	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.7	177.2	53.8	0	0	0	0	113.9	R293 L561	R293-S563 PolarHBondContact NH1-O 2.98Å; L561-S563 PolarHBondContact O-N 2.87Å; L561-S563 VanDerWaalsContact O-N 3.11Å
564	D	94	Very high	94.4	Very high	2 Å²	2	42 Å²	42	1%	0.011	22%	0.224	C	C	.	.			trans	-77.3	138	177.7	-70.8	-43.1	0	0	0	111.1	R283 W306 Y543 L560 L561 P562	R283-D564 PolarHBondContact NE-O 3.06Å; W306-D564 VanDerWaalsContact CD1-OD1 3.32Å; W306-D564 PolarHBondContact NE1-OD1 2.81Å; Y543-D564 HydrophobicContact CD1-CB 4.09Å; Y543-D564 HydrophobicContact CD2-CB 4.36Å; Y543-D564 HydrophobicContact CE1-CB 4.12Å; Y543-D564 HydrophobicContact CE2-CB 4.39Å; Y543-D564 HydrophobicContact CG-CB 4.23Å; L560-D564 HydrophobicContact CD1-CB 3.64Å; L561-D564 WeakPolarHBondContact CB-OD2 3.03Å; L561-D564 PolarHBondContact N-OD2 2.99Å; L561-D564 WeakPolarHBondContact O-CB 3.36Å; L561-D564 PolarHBondContact O-N 2.62Å; P562-D564 VanDerWaalsContact C-N 3.34Å
565	L	95.7	Very high	94.5	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.063	22%	0.222	C	C	.	.			trans	-77.8	172	-178.2	-58.7	174.7	0	0	0	111.3	E282 R283 T289 A291 Y543 T568	E282-L565 HydrophobicContact CG-CD2 4.38Å; R283-L565 PolarHBondContact NH2-O 3.12Å; T289-L565 HydrophobicContact CG2-CD1 3.8Å; T289-L565 HydrophobicContact CG2-CD2 3.9Å; T289-L565 HydrophobicContact CG2-CG 4.4Å; A291-L565 HydrophobicContact CB-CD1 3.97Å; Y543-L565 WeakPolarHBondContact CE2-O 3.5Å; Y543-L565 PolarHBondContact OH-O 3.04Å; L565-T568 HydrophobicContact CB-CG2 3.42Å; L565-T568 VanDerWaalsContact CB-CG2 3.42Å; L565-T568 HydrophobicContact CD1-CG2 4.13Å; L565-T568 HydrophobicContact CG-CG2 4.42Å
566	R	95.1	Very high	94.6	Very high	43 Å²	43	38.2 Å²	38.2	16%	0.162	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-123.4	155.6	174.8	-61.9	179.6	77.3	-144.2	8	110.4	G280 E281 R283 D534 T568	G280-R566 CarbonylContact C-O 3.57Å; G280-R566 WeakPolarHBondContact CA-O 3.08Å; E281-R566 HydrophobicContact CG-CB 3.65Å; E281-R566 PolarHBondContact N-O 2.87Å; E281-R566 PolarHBondContact O-N 3.48Å; E281-R566 IonicContact OE1-CZ 3.6Å; E281-R566 IonicContact OE1-NE 3.91Å; E281-R566 IonicContact OE1-NH1 2.77Å; E281-R566 PolarHBondContact OE1-NH1 3.31Å; R283-R566 HydrophobicContact CB-CG 4.23Å; R283-R566 HydrophobicContact CG-CG 4.43Å; R283-R566 VanDerWaalsContact CZ-CG 3.42Å; R283-R566 VanDerWaalsContact NH2-CG 3.29Å; D534-R566 IonicContact OD2-CZ 3.43Å; D534-R566 IonicContact OD2-NE 3.64Å; D534-R566 PolarHBondContact OD2-NE 2.99Å; D534-R566 VanDerWaalsContact OD2-NE 3.15Å; D534-R566 IonicContact OD2-NH2 2.69Å; R566-T568 PolarHBondContact O-N 3.06Å; R566-T568 VanDerWaalsContact O-N 3.07Å
567	R	95.1	Very high	94.8	Very high	121 Å²	121	34.9 Å²	34.9	46%	0.457	19%	0.193	S	C	.	.	S	Bend	trans	51.1	36	174.9	-57	179.6	173.2	-158.4	-3.9	112.3	G280 Y520	G280-R567 WeakPolarHBondContact CA-O 3.4Å; Y520-R567 HydrophobicContact CE1-CG 4.17Å
568	T	97.2	Very high	95	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.025	19%	0.189	C	C	.	.			trans	-70.9	141.9	179.7	44.6	0	0	0	0	109.5	Y543 L565 R566	Y543-T568 PolarHBondContact OH-OG1 3.43Å; L565-T568 HydrophobicContact CB-CG2 3.42Å; L565-T568 VanDerWaalsContact CB-CG2 3.42Å; L565-T568 HydrophobicContact CD1-CG2 4.13Å; L565-T568 HydrophobicContact CG-CG2 4.42Å; R566-T568 PolarHBondContact O-N 3.06Å; R566-T568 VanDerWaalsContact O-N 3.07Å
569	G	97.3	Very high	95.1	Very high	10 Å²	10	35.8 Å²	35.8	10%	0.103	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.4	159.7	0	0	0	0	0	108.8	T277 V278	T277-G569 CarbonylContact C-O 3.55Å; T277-G569 VanDerWaalsContact CA-O 3.24Å; T277-G569 WeakPolarHBondContact CA-O 3.36Å; V278-G569 PolarHBondContact N-O 3.27Å; V278-G569 PolarHBondContact O-N 2.83Å
570	C	97.8	Very high	95.1	Very high	19 Å²	19	32.9 Å²	32.9	13%	0.128	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.1	-178.8	-60.4	0	0	0	0	111.6	V276 V321 V523 I532	V276-C570 VanDerWaalsContact O-CA 3.28Å; V276-C570 WeakPolarHBondContact O-CA 3.33Å; V321-C570 VanDerWaalsContact CG1-N 3.27Å; V523-C570 HydrophobicContact CG2-CB 3.96Å; I532-C570 HydrophobicContact CD1-CB 4.27Å
571	A	98	Very high	95	Very high	6 Å²	6	32.1 Å²	32.1	5%	0.05	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.1	174.4	0	0	0	0	0	111.6	V276 V321 L328	V276-A571 PolarHBondContact N-O 2.93Å; V276-A571 PolarHBondContact O-N 3.19Å; V321-A571 HydrophobicContact CG2-CB 4.37Å; L328-A571 HydrophobicContact CD1-CB 3.81Å
572	A	97.5	Very high	95	Very high	32 Å²	32	34.2 Å²	34.2	26%	0.264	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.2	164.1	0	0	0	0	0	108.8	C274 S323 V523 I525	C274-A572 CarbonylContact O-C 3.57Å; C274-A572 WeakPolarHBondContact O-CA 3.21Å; S323-A572 WeakPolarHBondContact CB-O 3.36Å; S323-A572 PolarHBondContact OG-O 3.5Å; V523-A572 HydrophobicContact CG1-CB 3.5Å; V523-A572 VanDerWaalsContact CG1-N 3.31Å; I525-A572 HydrophobicContact CD1-CB 4.42Å; I525-A572 HydrophobicContact CG1-CB 3.97Å
573	L	97.9	Very high	95.2	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	135.1	171.5	-171.1	62.6	0	0	0	111.1	C274 V276 S323 L328 Y347 P349 I575	C274-L573 PolarHBondContact N-O 3.12Å; C274-L573 PolarHBondContact O-N 3.03Å; V276-L573 HydrophobicContact CG2-CB 3.63Å; V276-L573 HydrophobicContact CG2-CD2 4.28Å; S323-L573 WeakPolarHBondContact OG-CD1 3.44Å; L328-L573 HydrophobicContact CB-CD1 4.49Å; L328-L573 HydrophobicContact CB-CD2 4.33Å; Y347-L573 HydrophobicContact CD1-CD2 4.03Å; Y347-L573 HydrophobicContact CE1-CD2 3.97Å; P349-L573 HydrophobicContact CB-CD2 4.08Å; P349-L573 HydrophobicContact CG-CD2 4.41Å; L573-I575 HydrophobicContact CD2-CD1 4.25Å; L573-I575 HydrophobicContact CD2-CG1 4.11Å; L573-I575 HydrophobicContact CG-CG1 4.08Å
574	R	96.7	Very high	95.3	Very high	63 Å²	63	27.4 Å²	27.4	24%	0.238	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.6	171	-75.8	177.6	174.6	-172.2	-4.5	110	E155 Y271 E273	E155-R574 VanDerWaalsContact OE1-CD 3.27Å; E155-R574 WeakPolarHBondContact OE1-CD 3.42Å; E155-R574 IonicContact OE1-CZ 3.67Å; E155-R574 IonicContact OE1-NE 3.84Å; E155-R574 IonicContact OE1-NH1 2.73Å; E155-R574 PolarHBondContact OE1-NH1 2.85Å; Y271-R574 HydrophobicContact CD2-CB 4.22Å; Y271-R574 HydrophobicContact CD2-CG 3.78Å; Y271-R574 HydrophobicContact CE2-CG 4.07Å; E273-R574 HydrophobicContact CG-CG 3.82Å; E273-R574 IonicContact OE1-CZ 3.71Å; E273-R574 IonicContact OE1-NE 2.9Å; E273-R574 PolarHBondContact OE1-NE 2.85Å; E273-R574 IonicContact OE1-NH2 2.67Å; E273-R574 PolarHBondContact OE1-NH2 3.05Å
575	I	97.4	Very high	95.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.1	179.1	-53	177.8	0	0	0	108.8	Y271 S272 C274 C294 L309 P349 L573 N577 K579 L580	Y271-I575 CarbonylContact C-O 3.58Å; Y271-I575 VanDerWaalsContact CA-O 3.3Å; Y271-I575 WeakPolarHBondContact CA-O 3.07Å; S272-I575 PolarHBondContact N-O 3.24Å; S272-I575 PolarHBondContact O-N 3.2Å; C274-I575 HydrophobicContact CB-CD1 4.38Å; C294-I575 HydrophobicContact CB-CD1 4.25Å; L309-I575 HydrophobicContact CD1-CD1 4.3Å; P349-I575 HydrophobicContact CB-CG1 4.12Å; P349-I575 HydrophobicContact CB-CG2 4.43Å; L573-I575 HydrophobicContact CD2-CD1 4.25Å; L573-I575 HydrophobicContact CD2-CG1 4.11Å; L573-I575 HydrophobicContact CG-CG1 4.08Å; I575-N577 PolarHBondContact O-N 2.57Å; I575-K579 HydrophobicContact CG2-CB 4.15Å; I575-L580 HydrophobicContact CB-CD1 4.15Å; I575-L580 HydrophobicContact CB-CD2 4.07Å; I575-L580 HydrophobicContact CB-CG 3.99Å; I575-L580 HydrophobicContact CD1-CD2 4.09Å; I575-L580 HydrophobicContact CG2-CD1 4.38Å; I575-L580 HydrophobicContact CG2-CD2 3.84Å; I575-L580 HydrophobicContact CG2-CG 3.7Å
576	A	96.5	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.1	177	0	0	0	0	0	111.2	E185 K186 G270 C578 K579 L580	E185-A576 HydrophobicContact CB-CB 4.11Å; K186-A576 HydrophobicContact CG-CB 3.85Å; G270-A576 WeakPolarHBondContact O-CA 3.26Å; A576-C578 PolarHBondContact O-N 2.98Å; A576-K579 HydrophobicContact CB-CG 3.93Å; A576-K579 WeakPolarHBondContact O-CB 3.23Å; A576-K579 PolarHBondContact O-N 3.01Å; A576-L580 VanDerWaalsContact O-N 3.12Å; A576-L580 PolarHBondContact O-N 2.85Å
577	N	94.4	Very high	94.8	Very high	31 Å²	31	38 Å²	38	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-35.1	-175.7	-72.6	-24.7	0	0	0	112	P268 R269 G270 Y271 S272 I575 K579 L580 F581	P268-N577 HydrophobicContact CB-CB 4.2Å; P268-N577 HydrophobicContact CG-CB 4.11Å; R269-N577 PolarHBondContact O-ND2 3.32Å; G270-N577 VanDerWaalsContact C-ND2 3.31Å; G270-N577 PolarHBondContact O-N 2.68Å; Y271-N577 PolarHBondContact N-ND2 3.07Å; Y271-N577 PolarHBondContact O-OD1 3.42Å; S272-N577 PolarHBondContact N-OD1 3.48Å; S272-N577 PolarHBondContact OG-OD1 2.95Å; I575-N577 PolarHBondContact O-N 2.57Å; N577-K579 PolarHBondContact O-N 3.06Å; N577-K579 VanDerWaalsContact C-N 3.29Å; N577-L580 PolarHBondContact O-N 2.78Å; N577-F581 VanDerWaalsContact O-CB 3.25Å; N577-F581 WeakPolarHBondContact O-CB 3.31Å; N577-F581 PolarHBondContact O-N 3.32Å
578	C	92.9	Very high	94.5	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-31.1	176.4	66.2	0	0	0	0	113.2	W222 K267 P268 A576 R582	W222-C578 HydrophobicContact CH2-CB 4.5Å; K267-C578 HydrophobicContact CD-CB 4.44Å; K267-C578 HydrophobicContact CG-CB 3.52Å; P268-C578 WeakPolarHBondContact O-CB 3.19Å; P268-C578 PolarHBondContact O-N 2.84Å; P268-C578 VanDerWaalsContact O-N 3.12Å; A576-C578 PolarHBondContact O-N 2.98Å; C578-R582 WeakPolarHBondContact O-CB 3.47Å; C578-R582 PolarHBondContact O-N 3.36Å; C578-R582 VanDerWaalsContact O-N 3.14Å
579	K	94.8	Very high	94	Very high	45 Å²	45	37.3 Å²	37.3	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-74.3	-47.3	176.5	-57.7	-71.9	171.2	158	0	110.3	E185 D350 I575 A576 N577 F581 R582 L583	E185-K579 WeakPolarHBondContact OE2-CE 2.99Å; E185-K579 IonicContact OE2-NZ 3.55Å; E185-K579 PolarHBondContact OE2-NZ 3.38Å; D350-K579 WeakPolarHBondContact O-CE 3.43Å; D350-K579 PolarHBondContact O-NZ 3.08Å; I575-K579 HydrophobicContact CG2-CB 4.15Å; A576-K579 HydrophobicContact CB-CG 3.93Å; A576-K579 WeakPolarHBondContact O-CB 3.23Å; A576-K579 PolarHBondContact O-N 3.01Å; N577-K579 PolarHBondContact O-N 3.06Å; N577-K579 VanDerWaalsContact C-N 3.29Å; K579-F581 VanDerWaalsContact C-N 3.33Å; K579-F581 PolarHBondContact O-N 3.26Å; K579-R582 PolarHBondContact O-N 2.58Å; K579-L583 WeakPolarHBondContact O-CG 3.44Å; K579-L583 PolarHBondContact O-N 2.88Å
580	L	93.9	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-47.8	174.2	-69.6	172.3	0	0	0	111.3	I307 I575 A576 N577 R582 L583 Q584	I307-L580 HydrophobicContact CD1-CD2 3.96Å; I575-L580 HydrophobicContact CB-CD1 4.15Å; I575-L580 HydrophobicContact CB-CD2 4.07Å; I575-L580 HydrophobicContact CB-CG 3.99Å; I575-L580 HydrophobicContact CD1-CD2 4.09Å; I575-L580 HydrophobicContact CG2-CD1 4.38Å; I575-L580 HydrophobicContact CG2-CD2 3.84Å; I575-L580 HydrophobicContact CG2-CG 3.7Å; A576-L580 VanDerWaalsContact O-N 3.12Å; A576-L580 PolarHBondContact O-N 2.85Å; N577-L580 PolarHBondContact O-N 2.78Å; L580-R582 PolarHBondContact O-N 2.97Å; L580-R582 VanDerWaalsContact C-N 3.34Å; L580-L583 PolarHBondContact O-N 2.85Å; L580-Q584 WeakPolarHBondContact O-CB 3.27Å; L580-Q584 VanDerWaalsContact O-CG 3.28Å; L580-Q584 WeakPolarHBondContact O-CG 3.42Å; L580-Q584 PolarHBondContact O-N 2.9Å
581	F	91.6	Very high	91.3	Very high	17 Å²	17	51.2 Å²	51.2	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-45.4	178.3	179	-102.3	0	0	0	111.9	L263 F266 P268 N577 K579 Q584 L585 F590	L263-F581 HydrophobicContact CD2-CZ 4.01Å; L263-F581 WeakPolarHBondContact O-CE1 3.25Å; F266-F581 HydrophobicContact CB-CE1 4.03Å; F266-F581 HydrophobicContact CB-CZ 4.17Å; F266-F581 HydrophobicContact CD1-CD1 4.1Å; F266-F581 HydrophobicContact CD1-CD2 4.12Å; F266-F581 AromaticContact CD1-CE1 3.77Å; F266-F581 HydrophobicContact CD1-CE1 3.77Å; F266-F581 AromaticContact CD1-CE2 3.79Å; F266-F581 HydrophobicContact CD1-CE2 3.79Å; F266-F581 HydrophobicContact CD1-CG 4.26Å; F266-F581 AromaticContact CD1-CZ 3.61Å; F266-F581 HydrophobicContact CD1-CZ 3.61Å; F266-F581 HydrophobicContact CE1-CD2 4.38Å; F266-F581 HydrophobicContact CE1-CE2 4.3Å; F266-F581 HydrophobicContact CG-CE1 4.4Å; F266-F581 HydrophobicContact CG-CZ 4.35Å; F266-F581 WeakPolarHBondContact O-CD1 3.41Å; F266-F581 WeakPolarHBondContact O-CE1 3.09Å; P268-F581 HydrophobicContact CG-CB 3.98Å; P268-F581 HydrophobicContact CG-CG 4.33Å; N577-F581 VanDerWaalsContact O-CB 3.25Å; N577-F581 WeakPolarHBondContact O-CB 3.31Å; N577-F581 PolarHBondContact O-N 3.32Å; K579-F581 VanDerWaalsContact C-N 3.33Å; K579-F581 PolarHBondContact O-N 3.26Å; F581-Q584 PolarHBondContact O-N 2.77Å; F581-L585 WeakPolarHBondContact O-CB 3.47Å; F581-L585 PolarHBondContact O-N 2.91Å; F581-F590 HydrophobicContact CD2-CE2 4.45Å; F581-F590 HydrophobicContact CE2-CD2 4.22Å; F581-F590 HydrophobicContact CE2-CE2 4.06Å; F581-F590 HydrophobicContact CE2-CZ 4.49Å
582	R	92	Very high	89.3	Confident	119 Å²	119	54.8 Å²	54.8	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-44.7	177.3	-177.2	179.2	-72.4	116.9	-4.1	111.9	C578 K579 L580 L585 Q586	C578-R582 WeakPolarHBondContact O-CB 3.47Å; C578-R582 PolarHBondContact O-N 3.36Å; C578-R582 VanDerWaalsContact O-N 3.14Å; K579-R582 PolarHBondContact O-N 2.58Å; L580-R582 PolarHBondContact O-N 2.97Å; L580-R582 VanDerWaalsContact C-N 3.34Å; R582-L585 PolarHBondContact O-N 2.8Å; R582-Q586 PolarHBondContact O-N 2.76Å; R582-Q586 VanDerWaalsContact O-CG 3.3Å; R582-Q586 WeakPolarHBondContact O-CG 3.34Å
583	L	94	Very high	87.1	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-45	177.5	-72.9	166.4	0	0	0	111.4	I307 L309 K579 L580 L585 Q586 Q587	I307-L583 HydrophobicContact CG2-CB 3.7Å; I307-L583 HydrophobicContact CG2-CD1 4.33Å; L309-L583 HydrophobicContact CD2-CD1 3.62Å; K579-L583 WeakPolarHBondContact O-CG 3.44Å; K579-L583 PolarHBondContact O-N 2.88Å; L580-L583 PolarHBondContact O-N 2.85Å; L583-L585 VanDerWaalsContact C-N 3.32Å; L583-L585 PolarHBondContact O-N 2.82Å; L583-Q586 PolarHBondContact O-N 3.27Å; L583-Q587 WeakPolarHBondContact O-CB 3.46Å; L583-Q587 VanDerWaalsContact O-CG 3.22Å; L583-Q587 WeakPolarHBondContact O-CG 3.33Å; L583-Q587 PolarHBondContact O-N 3.21Å
584	Q	91.4	Very high	84.6	Confident	25 Å²	25	69.3 Å²	69.3	12%	0.117	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-39.7	176.8	-72.4	175.7	-54.1	0	0	112.4	I307 L580 F581 Q587 G588 L589	I307-Q584 HydrophobicContact CD1-CG 3.59Å; I307-Q584 HydrophobicContact CG1-CG 3.83Å; L580-Q584 WeakPolarHBondContact O-CB 3.27Å; L580-Q584 VanDerWaalsContact O-CG 3.28Å; L580-Q584 WeakPolarHBondContact O-CG 3.42Å; L580-Q584 PolarHBondContact O-N 2.9Å; F581-Q584 PolarHBondContact O-N 2.77Å; Q584-Q587 PolarHBondContact O-N 3.35Å; Q584-G588 PolarHBondContact O-N 2.81Å; Q584-G588 VanDerWaalsContact O-N 3.14Å; Q584-L589 HydrophobicContact CB-CB 4.19Å; Q584-L589 HydrophobicContact CG-CB 4.41Å; Q584-L589 HydrophobicContact CG-CD1 4.27Å; Q584-L589 PolarHBondContact O-N 3.33Å
585	L	89.5	Confident	81.9	Confident	72 Å²	72	74.7 Å²	74.7	38%	0.377	35%	0.352	S	S	.	.	H	α-helix	trans	-65.4	-47.7	176.1	-174.1	67.4	0	0	0	111.2	F581 R582 L583 Q587 G588	F581-L585 WeakPolarHBondContact O-CB 3.47Å; F581-L585 PolarHBondContact O-N 2.91Å; R582-L585 PolarHBondContact O-N 2.8Å; L583-L585 VanDerWaalsContact C-N 3.32Å; L583-L585 PolarHBondContact O-N 2.82Å; L585-Q587 PolarHBondContact O-N 3.48Å; L585-G588 PolarHBondContact O-N 2.84Å; L585-G588 VanDerWaalsContact O-N 3.12Å
586	Q	91.6	Very high	79.2	Confident	142 Å²	142	79.8 Å²	79.8	66%	0.664	39%	0.387	S	S	*	.	H	α-helix	trans	-61.4	-33.2	178.1	-73.3	172.2	-12.5	0	0	112.7	R582 L583	R582-Q586 PolarHBondContact O-N 2.76Å; R582-Q586 VanDerWaalsContact O-CG 3.3Å; R582-Q586 WeakPolarHBondContact O-CG 3.34Å; L583-Q586 PolarHBondContact O-N 3.27Å
587	Q	93.1	Very high	76.5	Confident	65 Å²	65	89.4 Å²	89.4	30%	0.304	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.1	179.5	-65.9	171.1	29.3	0	0	113.3	E308 L583 Q584 L585 L589	E308-Q587 PolarHBondContact O-NE2 3.29Å; L583-Q587 WeakPolarHBondContact O-CB 3.46Å; L583-Q587 VanDerWaalsContact O-CG 3.22Å; L583-Q587 WeakPolarHBondContact O-CG 3.33Å; L583-Q587 PolarHBondContact O-N 3.21Å; Q584-Q587 PolarHBondContact O-N 3.35Å; L585-Q587 PolarHBondContact O-N 3.48Å; Q587-L589 HydrophobicContact CB-CD1 4.12Å; Q587-L589 HydrophobicContact CB-CG 3.88Å; Q587-L589 PolarHBondContact O-N 3.01Å
588	G	88.8	Confident	75.6	Confident	61 Å²	61	92.3 Å²	92.3	63%	0.629	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	23.7	-179.7	0	0	0	0	0	114.2	Q584 L585 F590	Q584-G588 PolarHBondContact O-N 2.81Å; Q584-G588 VanDerWaalsContact O-N 3.14Å; L585-G588 PolarHBondContact O-N 2.84Å; L585-G588 VanDerWaalsContact O-N 3.12Å; G588-F590 VanDerWaalsContact C-N 3.33Å
589	L	86.5	Confident	74.7	Confident	50 Å²	50	96.9 Å²	96.9	26%	0.262	49%	0.487	S	S	.	.			trans	-79.5	-17.1	-179.3	-60.8	178.7	0	0	0	112.6	L305 I307 Q584 Q587 R591	L305-L589 HydrophobicContact CD1-CB 4.33Å; L305-L589 HydrophobicContact CD1-CD2 4.24Å; I307-L589 HydrophobicContact CB-CD1 4.43Å; I307-L589 HydrophobicContact CG1-CD1 3.94Å; Q584-L589 HydrophobicContact CB-CB 4.19Å; Q584-L589 HydrophobicContact CG-CB 4.41Å; Q584-L589 HydrophobicContact CG-CD1 4.27Å; Q584-L589 PolarHBondContact O-N 3.33Å; Q587-L589 HydrophobicContact CB-CD1 4.12Å; Q587-L589 HydrophobicContact CB-CG 3.88Å; Q587-L589 PolarHBondContact O-N 3.01Å; L589-R591 PolarHBondContact O-N 2.89Å
590	F	74.6	Confident	73.6	Confident	86 Å²	86	99.8 Å²	99.8	38%	0.377	50%	0.503	S	S	.	.			trans	-84.2	107.5	176.1	-144.6	-91.2	0	0	0	110.5	F581 G588 I592	F581-F590 HydrophobicContact CD2-CE2 4.45Å; F581-F590 HydrophobicContact CE2-CD2 4.22Å; F581-F590 HydrophobicContact CE2-CE2 4.06Å; F581-F590 HydrophobicContact CE2-CZ 4.49Å; G588-F590 VanDerWaalsContact C-N 3.33Å; F590-I592 HydrophobicContact CD1-CG1 4.21Å; F590-I592 PolarHBondContact O-N 3.05Å
591	R	63.7	Low	72.4	Confident	234 Å²	234	105.7 Å²	105.7	88%	0.883	53%	0.533	S	S	*	.			trans	-79.4	97.3	167.9	-69.2	-171.6	-177.4	-174.9	2.2	108.8	L589 R593	L589-R591 PolarHBondContact O-N 2.89Å; R591-R593 PolarHBondContact O-N 3.29Å
592	I	55.6	Low	71.2	Confident	82 Å²	82	111.3 Å²	111.3	42%	0.421	56%	0.561	S	S	.	*			trans	-65.8	107.1	168.4	-47.6	167.2	0	0	0	106.2	L263 F590 V594	L263-I592 HydrophobicContact CD1-CD1 3.21Å; L263-I592 HydrophobicContact CD1-CG1 3.64Å; F590-I592 HydrophobicContact CD1-CG1 4.21Å; F590-I592 PolarHBondContact O-N 3.05Å; I592-V594 HydrophobicContact CB-CG2 4.04Å; I592-V594 HydrophobicContact CG2-CB 4.46Å; I592-V594 HydrophobicContact CG2-CG2 3.44Å; I592-V594 VanDerWaalsContact CG2-CG2 3.44Å; I592-V594 PolarHBondContact O-N 3.22Å
593	R	52.6	Low	69.8	Low	234 Å²	234	110.7 Å²	110.7	88%	0.883	57%	0.569	S	S	*	*			trans	-70.9	81.4	156.6	-74.1	-172.4	-176.3	179.5	1.8	105.7	R591 H595	R591-R593 PolarHBondContact O-N 3.29Å; R593-H595 PolarHBondContact O-N 3.32Å; R593-H595 VanDerWaalsContact O-N 3.15Å
594	V	45.4	Very low	68.1	Low	107 Å²	107	117.4 Å²	117.4	65%	0.648	60%	0.603	S	S	*	*			trans	-64.1	115.3	160.8	-170.6	0	0	0	0	103.3	I592 S596	I592-V594 HydrophobicContact CB-CG2 4.04Å; I592-V594 HydrophobicContact CG2-CB 4.46Å; I592-V594 HydrophobicContact CG2-CG2 3.44Å; I592-V594 VanDerWaalsContact CG2-CG2 3.44Å; I592-V594 PolarHBondContact O-N 3.22Å; V594-S596 PolarHBondContact O-N 3.49Å
595	H	40.1	Very low	66.3	Low	176 Å²	176	124.5 Å²	124.5	82%	0.815	64%	0.641	S	S	*	*			trans	-57.2	113.8	164.3	-84.7	-54.3	0	0	0	105.6	R593	R593-H595 PolarHBondContact O-N 3.32Å; R593-H595 VanDerWaalsContact O-N 3.15Å
596	S	39.5	Very low	64.4	Low	108 Å²	108	128.9 Å²	128.9	76%	0.755	66%	0.663	S	S	*	*			trans	-50.1	131.8	164.2	-40.7	0	0	0	0	106.8	V594	V594-S596 PolarHBondContact O-N 3.49Å
597	P	40.8	Very low	61.9	Low	202 Å²	202	127.7 Å²	127.7	100%	1.312	66%	0.663	S	S	*	*			trans	-56.3	0	-173.1	22.1	-33.2	0	0	0	113.5

Retrieved 597 of 597 residues in 523 ms (Link to these results)

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