A0A061HYJ0_CRIGR Loading...

Synaptotagmin-like protein 4

Modulates exocytosis of dense-core granules and secretion of hormones in the pancreas and the pituitary. Interacts with vesicles containing negatively charged phospholipids in a Ca(2+)-independent manner.

AlphaFold DB , UniProt , Accession A0A061HYJ0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sytl4, Length 669 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	59.1	Low	242 Å²	242	116.3 Å²	116.3	100%	1.192	62%	0.618	S	S	*	*				0	159.5	0	-74.9	163	-102.9	0	0	107.4
2	S	38.3	Very low	60.8	Low	113 Å²	113	116.1 Å²	116.1	79%	0.79	62%	0.617	S	S	*	*			trans	-62.1	152	175.7	-48.9	0	0	0	0	110.6	I4	S2-I4 PolarHBondContact O-N 3.08Å
3	E	43.8	Very low	62.4	Low	187 Å²	187	119.2 Å²	119.2	87%	0.874	63%	0.629	S	S	*	*			trans	-57.1	131.3	164.6	-66.3	178.7	137.7	0	0	108.5	L5	E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 2.84Å
4	I	49.1	Very low	63.6	Low	165 Å²	165	117.4 Å²	117.4	85%	0.846	62%	0.615	S	S	*	*			trans	-77.2	90.2	-179.2	-57.8	175.7	0	0	0	107.2	S2 D6	S2-I4 PolarHBondContact O-N 3.08Å; I4-D6 PolarHBondContact O-N 3.27Å; I4-D6 VanDerWaalsContact O-N 3.13Å
5	L	58.3	Low	64.5	Low	116 Å²	116	114.3 Å²	114.3	61%	0.607	59%	0.592	S	S	*	*			trans	-56.9	113.9	160.6	-70.9	171.1	0	0	0	107.1	E3 L7 L22	E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 2.84Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 HydrophobicContact CB-CD2 4.19Å; L5-L7 HydrophobicContact CB-CG 4.34Å; L5-L7 PolarHBondContact O-N 2.82Å; L5-L22 HydrophobicContact CD1-CD1 4.21Å
6	D	58.5	Low	65.5	Low	109 Å²	109	113.8 Å²	113.8	58%	0.583	59%	0.591	S	S	*	*			trans	-72.5	89.9	177.2	-178.9	12.9	0	0	0	109.7	I4 S8 F9	I4-D6 PolarHBondContact O-N 3.27Å; I4-D6 VanDerWaalsContact O-N 3.13Å; D6-S8 VanDerWaalsContact CG-OG 3.26Å; D6-S8 PolarHBondContact O-N 3.23Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.13Å; D6-S8 PolarHBondContact OD1-OG 2.88Å; D6-S8 PolarHBondContact OD2-OG 3.16Å; D6-F9 VanDerWaalsContact O-CD1 3.22Å; D6-F9 WeakPolarHBondContact O-CD1 3.46Å; D6-F9 WeakPolarHBondContact O-CE1 3.39Å
7	L	65.2	Low	66.5	Low	26 Å²	26	113.6 Å²	113.6	14%	0.136	59%	0.59	C	S	.	*			trans	-85.4	14.2	176	-55.5	-178.5	0	0	0	112.3	L5 F9 L10 R15 I18 L19	L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 HydrophobicContact CB-CD2 4.19Å; L5-L7 HydrophobicContact CB-CG 4.34Å; L5-L7 PolarHBondContact O-N 2.82Å; L7-F9 PolarHBondContact O-N 3.46Å; L7-F9 VanDerWaalsContact O-N 3.13Å; L7-L10 HydrophobicContact CB-CD1 4.48Å; L7-L10 HydrophobicContact CD2-CD1 4.1Å; L7-L10 PolarHBondContact O-N 2.67Å; L7-R15 HydrophobicContact CB-CG 3.95Å; L7-R15 HydrophobicContact CD1-CG 3.97Å; L7-R15 PolarHBondContact O-NE 2.72Å; L7-R15 PolarHBondContact O-NH2 3.14Å; L7-R15 VanDerWaalsContact O-NH2 3.1Å; L7-I18 HydrophobicContact CD1-CG2 4.19Å; L7-L19 HydrophobicContact CD1-CD2 4.4Å; L7-L19 HydrophobicContact CD1-CG 4.44Å
8	S	67.3	Low	67.2	Low	72 Å²	72	110.9 Å²	110.9	50%	0.503	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.3	-27.5	-178.1	61.4	0	0	0	0	113.9	D6 L10 R15	D6-S8 VanDerWaalsContact CG-OG 3.26Å; D6-S8 PolarHBondContact O-N 3.23Å; D6-S8 WeakPolarHBondContact OD1-CB 3.42Å; D6-S8 PolarHBondContact OD1-N 3.13Å; D6-S8 PolarHBondContact OD1-OG 2.88Å; D6-S8 PolarHBondContact OD2-OG 3.16Å; S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 PolarHBondContact O-N 3.2Å; S8-R15 PolarHBondContact O-NH2 3.33Å
9	F	75.3	Confident	67.7	Low	161 Å²	161	109.6 Å²	109.6	71%	0.706	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-6.3	179.3	70.1	-90.9	0	0	0	114.9	D6 L7	D6-F9 VanDerWaalsContact O-CD1 3.22Å; D6-F9 WeakPolarHBondContact O-CD1 3.46Å; D6-F9 WeakPolarHBondContact O-CE1 3.39Å; L7-F9 PolarHBondContact O-N 3.46Å; L7-F9 VanDerWaalsContact O-N 3.13Å
10	L	74.3	Confident	68.3	Low	32 Å²	32	106.3 Å²	106.3	17%	0.168	56%	0.556	C	S	.	*	S	Bend	trans	-103.1	148.9	179.8	-64.6	179.2	0	0	0	111.8	L7 S8 E14 R15 I18	L7-L10 HydrophobicContact CB-CD1 4.48Å; L7-L10 HydrophobicContact CD2-CD1 4.1Å; L7-L10 PolarHBondContact O-N 2.67Å; S8-L10 VanDerWaalsContact C-N 3.3Å; S8-L10 PolarHBondContact O-N 3.2Å; L10-E14 HydrophobicContact CB-CB 4.23Å; L10-R15 PolarHBondContact O-NH2 2.85Å; L10-I18 HydrophobicContact CD1-CD1 3.42Å; L10-I18 VanDerWaalsContact CD1-CD1 3.42Å
11	S	84.3	Confident	69.1	Low	56 Å²	56	104.9 Å²	104.9	39%	0.392	55%	0.552	S	S	.	*			trans	-63	154	170.2	69	0	0	0	0	111	M13 E14 R15	S11-M13 PolarHBondContact O-N 3.26Å; S11-E14 VanDerWaalsContact CB-OE2 3.3Å; S11-E14 WeakPolarHBondContact CB-OE2 3.46Å; S11-E14 PolarHBondContact N-OE2 2.85Å; S11-E14 PolarHBondContact O-N 3.27Å; S11-E14 VanDerWaalsContact OG-CD 3.29Å; S11-E14 WeakPolarHBondContact OG-CG 3.48Å; S11-E14 PolarHBondContact OG-OE2 3.05Å; S11-R15 WeakPolarHBondContact O-CB 3.29Å; S11-R15 PolarHBondContact O-N 3.25Å
12	D	79.8	Confident	71	Confident	114 Å²	114	96.9 Å²	96.9	61%	0.61	51%	0.513	S	S	*	.	H	α-helix	trans	-59.8	-35.3	-175.1	-53.6	-55.2	0	0	0	111.9	R15 D16	D12-R15 WeakPolarHBondContact O-CB 3.49Å; D12-R15 PolarHBondContact O-N 2.97Å; D12-D16 WeakPolarHBondContact O-CB 3.18Å; D12-D16 PolarHBondContact O-N 2.87Å
13	M	82.1	Confident	73	Confident	156 Å²	156	97.1 Å²	97.1	77%	0.768	50%	0.502	S	S	*	.	H	α-helix	trans	-67	-38	175.8	-173.9	175.2	64	0	0	113.4	S11 L17	S11-M13 PolarHBondContact O-N 3.26Å; M13-L17 WeakPolarHBondContact O-CB 3.37Å; M13-L17 PolarHBondContact O-N 2.8Å; M13-L17 VanDerWaalsContact O-N 3.16Å
14	E	78.1	Confident	75	Confident	94 Å²	94	94.5 Å²	94.5	44%	0.439	48%	0.484	S	S	.	.	H	α-helix	trans	-70.4	-39.1	174.2	-69.2	165.8	120	0	0	111.2	L10 S11 L17 I18	L10-E14 HydrophobicContact CB-CB 4.23Å; S11-E14 VanDerWaalsContact CB-OE2 3.3Å; S11-E14 WeakPolarHBondContact CB-OE2 3.46Å; S11-E14 PolarHBondContact N-OE2 2.85Å; S11-E14 PolarHBondContact O-N 3.27Å; S11-E14 VanDerWaalsContact OG-CD 3.29Å; S11-E14 WeakPolarHBondContact OG-CG 3.48Å; S11-E14 PolarHBondContact OG-OE2 3.05Å; E14-L17 PolarHBondContact O-N 2.78Å; E14-I18 WeakPolarHBondContact O-CG1 3.41Å; E14-I18 PolarHBondContact O-N 3.11Å
15	R	77.8	Confident	76.3	Confident	71 Å²	71	90 Å²	90	27%	0.268	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-50.6	177.9	-170.3	-176.8	-50.8	-152.3	4.5	111.2	L7 S8 L10 S11 D12 L17 I18 L19	L7-R15 HydrophobicContact CB-CG 3.95Å; L7-R15 HydrophobicContact CD1-CG 3.97Å; L7-R15 PolarHBondContact O-NE 2.72Å; L7-R15 PolarHBondContact O-NH2 3.14Å; L7-R15 VanDerWaalsContact O-NH2 3.1Å; S8-R15 PolarHBondContact O-NH2 3.33Å; L10-R15 PolarHBondContact O-NH2 2.85Å; S11-R15 WeakPolarHBondContact O-CB 3.29Å; S11-R15 PolarHBondContact O-N 3.25Å; D12-R15 WeakPolarHBondContact O-CB 3.49Å; D12-R15 PolarHBondContact O-N 2.97Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 2.83Å; R15-I18 PolarHBondContact O-N 2.85Å; R15-L19 HydrophobicContact CG-CD1 4.17Å; R15-L19 WeakPolarHBondContact O-CB 3.45Å; R15-L19 VanDerWaalsContact O-CG 3.28Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 2.81Å
16	D	80.4	Confident	77	Confident	107 Å²	107	87.6 Å²	87.6	57%	0.572	45%	0.447	S	S	*	.	H	α-helix	trans	-62.6	-39.7	177	-75.5	-12	0	0	0	111.8	D12 I18 L19 S20	D12-D16 WeakPolarHBondContact O-CB 3.18Å; D12-D16 PolarHBondContact O-N 2.87Å; D16-I18 PolarHBondContact O-N 2.99Å; D16-L19 PolarHBondContact O-N 3Å; D16-S20 WeakPolarHBondContact O-CB 3.15Å; D16-S20 PolarHBondContact O-N 3.09Å
17	L	82.2	Confident	78.1	Confident	111 Å²	111	87.3 Å²	87.3	58%	0.581	44%	0.442	S	S	*	.	H	α-helix	trans	-60.8	-46.8	175	-176.4	63.8	0	0	0	111.4	M13 E14 R15 S20 V21	M13-L17 WeakPolarHBondContact O-CB 3.37Å; M13-L17 PolarHBondContact O-N 2.8Å; M13-L17 VanDerWaalsContact O-N 3.16Å; E14-L17 PolarHBondContact O-N 2.78Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 2.83Å; L17-S20 PolarHBondContact O-N 3.44Å; L17-S20 PolarHBondContact O-OG 3.1Å; L17-V21 WeakPolarHBondContact O-CG2 3.12Å; L17-V21 PolarHBondContact O-N 3.08Å; L17-V21 VanDerWaalsContact O-N 3.17Å
18	I	79.4	Confident	78.7	Confident	65 Å²	65	91.9 Å²	91.9	33%	0.333	47%	0.467	S	S	.	.	H	α-helix	trans	-64.4	-45.4	177.6	-72.5	164	0	0	0	111.3	L7 L10 E14 R15 D16 S20 V21 L22	L7-I18 HydrophobicContact CD1-CG2 4.19Å; L10-I18 HydrophobicContact CD1-CD1 3.42Å; L10-I18 VanDerWaalsContact CD1-CD1 3.42Å; E14-I18 WeakPolarHBondContact O-CG1 3.41Å; E14-I18 PolarHBondContact O-N 3.11Å; R15-I18 PolarHBondContact O-N 2.85Å; D16-I18 PolarHBondContact O-N 2.99Å; I18-S20 VanDerWaalsContact C-N 3.3Å; I18-S20 PolarHBondContact O-N 2.85Å; I18-V21 PolarHBondContact O-N 3.01Å; I18-V21 VanDerWaalsContact O-N 3.07Å; I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 HydrophobicContact CG2-CG 4.29Å; I18-L22 WeakPolarHBondContact O-CG 3.28Å; I18-L22 PolarHBondContact O-N 3.08Å
19	L	76.2	Confident	78.8	Confident	86 Å²	86	94.2 Å²	94.2	45%	0.45	46%	0.464	S	S	.	.	H	α-helix	trans	-59.7	-40.5	176.1	-70.4	171.6	0	0	0	111.3	L7 R15 D16 V21 L22 Q23	L7-L19 HydrophobicContact CD1-CD2 4.4Å; L7-L19 HydrophobicContact CD1-CG 4.44Å; R15-L19 HydrophobicContact CG-CD1 4.17Å; R15-L19 WeakPolarHBondContact O-CB 3.45Å; R15-L19 VanDerWaalsContact O-CG 3.28Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 2.81Å; D16-L19 PolarHBondContact O-N 3Å; L19-V21 VanDerWaalsContact C-N 3.28Å; L19-V21 PolarHBondContact O-N 3.23Å; L19-L22 PolarHBondContact O-N 2.91Å; L19-Q23 WeakPolarHBondContact O-CB 3.49Å; L19-Q23 PolarHBondContact O-N 3.15Å
20	S	80.9	Confident	78.7	Confident	43 Å²	43	91.5 Å²	91.5	30%	0.301	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-32	174.9	88.2	0	0	0	0	113.2	D16 L17 I18 R24	D16-S20 WeakPolarHBondContact O-CB 3.15Å; D16-S20 PolarHBondContact O-N 3.09Å; L17-S20 PolarHBondContact O-N 3.44Å; L17-S20 PolarHBondContact O-OG 3.1Å; I18-S20 VanDerWaalsContact C-N 3.3Å; I18-S20 PolarHBondContact O-N 2.85Å; S20-R24 WeakPolarHBondContact O-CG 3.45Å; S20-R24 PolarHBondContact O-N 3.07Å; S20-R24 PolarHBondContact O-NE 2.9Å; S20-R24 PolarHBondContact OG-NH2 2.98Å
21	V	85.2	Confident	79	Confident	77 Å²	77	92.7 Å²	92.7	47%	0.467	47%	0.466	S	S	.	.	H	α-helix	trans	-76.3	-46.6	177.5	171.6	0	0	0	0	109.9	L17 I18 L19 Q23 R24 D25	L17-V21 WeakPolarHBondContact O-CG2 3.12Å; L17-V21 PolarHBondContact O-N 3.08Å; L17-V21 VanDerWaalsContact O-N 3.17Å; I18-V21 PolarHBondContact O-N 3.01Å; I18-V21 VanDerWaalsContact O-N 3.07Å; L19-V21 VanDerWaalsContact C-N 3.28Å; L19-V21 PolarHBondContact O-N 3.23Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 3.33Å; V21-R24 PolarHBondContact O-N 3.41Å; V21-D25 WeakPolarHBondContact O-CB 3.48Å; V21-D25 PolarHBondContact O-N 2.97Å
22	L	75.1	Confident	78.4	Confident	73 Å²	73	93.1 Å²	93.1	38%	0.382	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-39.6	177.9	-68.7	173.8	0	0	0	112	L5 I18 L19 E26	L5-L22 HydrophobicContact CD1-CD1 4.21Å; I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 HydrophobicContact CG2-CG 4.29Å; I18-L22 WeakPolarHBondContact O-CG 3.28Å; I18-L22 PolarHBondContact O-N 3.08Å; L19-L22 PolarHBondContact O-N 2.91Å; L22-E26 WeakPolarHBondContact O-CB 3.46Å; L22-E26 PolarHBondContact O-N 3.48Å
23	Q	79.9	Confident	78	Confident	119 Å²	119	92.3 Å²	92.3	56%	0.556	46%	0.457	S	S	*	.	H	α-helix	trans	-63.2	-47.5	174.6	179	174.8	-15.7	0	0	111.7	L19 V21 D25 E26 E27	L19-Q23 WeakPolarHBondContact O-CB 3.49Å; L19-Q23 PolarHBondContact O-N 3.15Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 3.33Å; Q23-D25 PolarHBondContact O-N 3.37Å; Q23-E26 PolarHBondContact O-N 2.79Å; Q23-E27 HydrophobicContact CG-CG 4.45Å; Q23-E27 VanDerWaalsContact CG-OE1 3.3Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.21Å; Q23-E27 PolarHBondContact NE2-OE1 2.82Å; Q23-E27 WeakPolarHBondContact O-CB 3.32Å; Q23-E27 WeakPolarHBondContact O-CG 3.42Å; Q23-E27 PolarHBondContact O-N 2.88Å
24	R	85.1	Confident	77.9	Confident	132 Å²	132	91.3 Å²	91.3	50%	0.498	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-38.5	178.8	-76.7	176.9	-71.6	147.3	-7.7	112.6	S20 V21 E27 L28	S20-R24 WeakPolarHBondContact O-CG 3.45Å; S20-R24 PolarHBondContact O-N 3.07Å; S20-R24 PolarHBondContact O-NE 2.9Å; S20-R24 PolarHBondContact OG-NH2 2.98Å; V21-R24 PolarHBondContact O-N 3.41Å; R24-E27 PolarHBondContact O-N 2.87Å; R24-L28 WeakPolarHBondContact O-CB 3.34Å; R24-L28 WeakPolarHBondContact O-CG 3.46Å; R24-L28 PolarHBondContact O-N 2.88Å
25	D	76.4	Confident	78.1	Confident	70 Å²	70	90.9 Å²	90.9	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-43	172.7	172.6	69.5	0	0	0	111.8	V21 Q23 L28 R29	V21-D25 WeakPolarHBondContact O-CB 3.48Å; V21-D25 PolarHBondContact O-N 2.97Å; Q23-D25 PolarHBondContact O-N 3.37Å; D25-L28 PolarHBondContact O-N 2.72Å; D25-R29 WeakPolarHBondContact O-CB 3.37Å; D25-R29 WeakPolarHBondContact O-CG 3.48Å; D25-R29 PolarHBondContact O-N 2.94Å; D25-R29 IonicContact OD1-NE 3.73Å; D25-R29 IonicContact OD2-CZ 3.32Å; D25-R29 IonicContact OD2-NE 2.79Å; D25-R29 PolarHBondContact OD2-NE 2.96Å; D25-R29 IonicContact OD2-NH2 2.76Å; D25-R29 PolarHBondContact OD2-NH2 2.79Å
26	E	73.5	Confident	77.9	Confident	66 Å²	66	89 Å²	89	31%	0.308	44%	0.438	S	S	.	.	H	α-helix	trans	-64.3	-39.3	175.6	178.4	61.3	-153.9	0	0	112.7	L22 Q23 R29 K30	L22-E26 WeakPolarHBondContact O-CB 3.46Å; L22-E26 PolarHBondContact O-N 3.48Å; Q23-E26 PolarHBondContact O-N 2.79Å; E26-R29 IonicContact OE2-CZ 2.71Å; E26-R29 IonicContact OE2-NH1 2.67Å; E26-R29 PolarHBondContact OE2-NH1 3.42Å; E26-R29 IonicContact OE2-NH2 2.72Å; E26-R29 PolarHBondContact OE2-NH2 3.04Å; E26-K30 HydrophobicContact CG-CD 4.36Å; E26-K30 VanDerWaalsContact CG-NZ 3.29Å; E26-K30 WeakPolarHBondContact O-CB 3.49Å; E26-K30 VanDerWaalsContact O-CG 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.49Å; E26-K30 WeakPolarHBondContact OE1-CE 3.48Å; E26-K30 IonicContact OE1-NZ 2.61Å; E26-K30 PolarHBondContact OE1-NZ 2.88Å
27	E	82.6	Confident	77.7	Confident	102 Å²	102	89.8 Å²	89.8	48%	0.477	43%	0.433	S	S	.	.	H	α-helix	trans	-66.5	-43.6	173.6	-74.8	170.4	-171.7	0	0	112	Q23 R24 K30 A31	Q23-E27 HydrophobicContact CG-CG 4.45Å; Q23-E27 VanDerWaalsContact CG-OE1 3.3Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.21Å; Q23-E27 PolarHBondContact NE2-OE1 2.82Å; Q23-E27 WeakPolarHBondContact O-CB 3.32Å; Q23-E27 WeakPolarHBondContact O-CG 3.42Å; Q23-E27 PolarHBondContact O-N 2.88Å; R24-E27 PolarHBondContact O-N 2.87Å; E27-K30 PolarHBondContact O-N 3.04Å; E27-A31 WeakPolarHBondContact O-CB 3.35Å; E27-A31 PolarHBondContact O-N 3.35Å
28	L	77.2	Confident	77.7	Confident	123 Å²	123	92.3 Å²	92.3	64%	0.644	44%	0.435	S	S	*	.	H	α-helix	trans	-63.1	-45	174.5	-75	168.2	0	0	0	111.6	R24 D25 A31 D32	R24-L28 WeakPolarHBondContact O-CB 3.34Å; R24-L28 WeakPolarHBondContact O-CG 3.46Å; R24-L28 PolarHBondContact O-N 2.88Å; D25-L28 PolarHBondContact O-N 2.72Å; L28-A31 PolarHBondContact O-N 3.33Å; L28-D32 PolarHBondContact O-N 2.81Å
29	R	68.4	Low	77.5	Confident	121 Å²	121	90.7 Å²	90.7	46%	0.457	43%	0.427	S	S	.	.	H	α-helix	trans	-61.8	-43.2	175.2	-76.7	-171.3	-76.2	95.9	5.1	111.5	D25 E26 A31 D32 E33	D25-R29 WeakPolarHBondContact O-CB 3.37Å; D25-R29 WeakPolarHBondContact O-CG 3.48Å; D25-R29 PolarHBondContact O-N 2.94Å; D25-R29 IonicContact OD1-NE 3.73Å; D25-R29 IonicContact OD2-CZ 3.32Å; D25-R29 IonicContact OD2-NE 2.79Å; D25-R29 PolarHBondContact OD2-NE 2.96Å; D25-R29 IonicContact OD2-NH2 2.76Å; D25-R29 PolarHBondContact OD2-NH2 2.79Å; E26-R29 IonicContact OE2-CZ 2.71Å; E26-R29 IonicContact OE2-NH1 2.67Å; E26-R29 PolarHBondContact OE2-NH1 3.42Å; E26-R29 IonicContact OE2-NH2 2.72Å; E26-R29 PolarHBondContact OE2-NH2 3.04Å; R29-A31 PolarHBondContact O-N 3.35Å; R29-D32 PolarHBondContact O-N 3.4Å; R29-E33 WeakPolarHBondContact O-CB 3.43Å; R29-E33 PolarHBondContact O-N 2.89Å
30	K	75.1	Confident	77.4	Confident	103 Å²	103	91.6 Å²	91.6	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-38.8	173	-80.4	167.4	166.8	128.8	0	113	E26 E27 K34	E26-K30 HydrophobicContact CG-CD 4.36Å; E26-K30 VanDerWaalsContact CG-NZ 3.29Å; E26-K30 WeakPolarHBondContact O-CB 3.49Å; E26-K30 VanDerWaalsContact O-CG 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.49Å; E26-K30 PolarHBondContact O-N 3.49Å; E26-K30 WeakPolarHBondContact OE1-CE 3.48Å; E26-K30 IonicContact OE1-NZ 2.61Å; E26-K30 PolarHBondContact OE1-NZ 2.88Å; E27-K30 PolarHBondContact O-N 3.04Å; K30-K34 VanDerWaalsContact O-CG 3.26Å; K30-K34 WeakPolarHBondContact O-CG 3.4Å; K30-K34 PolarHBondContact O-N 3.34Å; K30-K34 VanDerWaalsContact O-N 3.16Å
31	A	79.5	Confident	77.3	Confident	57 Å²	57	93.7 Å²	93.7	47%	0.471	43%	0.434	S	S	.	.	H	α-helix	trans	-67.6	-42.2	176.7	0	0	0	0	0	111.7	E27 L28 R29 K34 R35	E27-A31 WeakPolarHBondContact O-CB 3.35Å; E27-A31 PolarHBondContact O-N 3.35Å; L28-A31 PolarHBondContact O-N 3.33Å; R29-A31 PolarHBondContact O-N 3.35Å; A31-K34 PolarHBondContact O-N 3.13Å; A31-R35 PolarHBondContact O-N 3.38Å
32	D	72	Confident	77	Confident	66 Å²	66	93.4 Å²	93.4	35%	0.353	43%	0.428	S	S	.	.	H	α-helix	trans	-69.9	-39.6	178.4	-157.2	57.2	0	0	0	112.4	L28 R29 K34 R35 I36	L28-D32 PolarHBondContact O-N 2.81Å; R29-D32 PolarHBondContact O-N 3.4Å; D32-K34 VanDerWaalsContact C-N 3.33Å; D32-K34 PolarHBondContact O-N 2.79Å; D32-R35 WeakPolarHBondContact O-CA 3.49Å; D32-R35 WeakPolarHBondContact O-CB 3.25Å; D32-R35 PolarHBondContact O-N 3.28Å; D32-R35 IonicContact OD1-CZ 2.67Å; D32-R35 IonicContact OD1-NE 2.85Å; D32-R35 PolarHBondContact OD1-NE 3.03Å; D32-R35 IonicContact OD1-NH2 3.96Å; D32-R35 PolarHBondContact OD1-NH2 2.9Å; D32-R35 IonicContact OD2-NH2 3.88Å; D32-R35 PolarHBondContact OD2-NH2 3.36Å; D32-I36 WeakPolarHBondContact O-CG1 3.28Å; D32-I36 PolarHBondContact O-N 2.81Å; D32-I36 VanDerWaalsContact OD2-CD1 3.3Å; D32-I36 WeakPolarHBondContact OD2-CD1 3.29Å
33	E	70.9	Confident	77.1	Confident	96 Å²	96	90.5 Å²	90.5	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-42.3	175	-155.2	-127.7	126.2	0	0	111.2	R29 R35 I36 R37	R29-E33 WeakPolarHBondContact O-CB 3.43Å; R29-E33 PolarHBondContact O-N 2.89Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.4Å; E33-I36 PolarHBondContact O-N 3.43Å; E33-R37 VanDerWaalsContact O-CB 3.25Å; E33-R37 WeakPolarHBondContact O-CB 3.49Å; E33-R37 PolarHBondContact O-N 3.21Å; E33-R37 IonicContact OE1-CZ 3.14Å; E33-R37 IonicContact OE1-NE 2.62Å; E33-R37 PolarHBondContact OE1-NE 2.91Å; E33-R37 IonicContact OE1-NH2 2.77Å; E33-R37 PolarHBondContact OE1-NH2 2.86Å; E33-R37 IonicContact OE2-NH2 2.61Å
34	K	79.9	Confident	76.8	Confident	136 Å²	136	89.1 Å²	89.1	59%	0.591	41%	0.409	S	S	*	.	H	α-helix	trans	-62.8	-32.7	171.8	-73.2	171.5	-178.1	179.6	0	113.1	K30 A31 D32 R38	K30-K34 VanDerWaalsContact O-CG 3.26Å; K30-K34 WeakPolarHBondContact O-CG 3.4Å; K30-K34 PolarHBondContact O-N 3.34Å; K30-K34 VanDerWaalsContact O-N 3.16Å; A31-K34 PolarHBondContact O-N 3.13Å; D32-K34 VanDerWaalsContact C-N 3.33Å; D32-K34 PolarHBondContact O-N 2.79Å; K34-R38 PolarHBondContact O-N 2.82Å; K34-R38 PolarHBondContact O-NE 2.98Å
35	R	82.6	Confident	76.4	Confident	84 Å²	84	87.2 Å²	87.2	32%	0.317	41%	0.406	S	S	.	.	H	α-helix	trans	-69.9	-49.5	174.2	-177	-174	66.3	91.4	4.6	110.8	A31 D32 E33 R37 R38 L39 A114	A31-R35 PolarHBondContact O-N 3.38Å; D32-R35 WeakPolarHBondContact O-CA 3.49Å; D32-R35 WeakPolarHBondContact O-CB 3.25Å; D32-R35 PolarHBondContact O-N 3.28Å; D32-R35 IonicContact OD1-CZ 2.67Å; D32-R35 IonicContact OD1-NE 2.85Å; D32-R35 PolarHBondContact OD1-NE 3.03Å; D32-R35 IonicContact OD1-NH2 3.96Å; D32-R35 PolarHBondContact OD1-NH2 2.9Å; D32-R35 IonicContact OD2-NH2 3.88Å; D32-R35 PolarHBondContact OD2-NH2 3.36Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.4Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.1Å; R35-R38 PolarHBondContact O-N 2.68Å; R35-L39 HydrophobicContact CG-CD1 4.41Å; R35-L39 PolarHBondContact O-N 2.95Å; R35-A114 VanDerWaalsContact CZ-O 3.3Å; R35-A114 PolarHBondContact NH1-O 2.98Å; R35-A114 PolarHBondContact NH2-O 3.07Å
36	I	73.6	Confident	76.2	Confident	33 Å²	33	86.5 Å²	86.5	17%	0.169	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-39.9	178.4	-67.8	172.7	0	0	0	111	D32 E33 R38 L39 K40 T115	D32-I36 WeakPolarHBondContact O-CG1 3.28Å; D32-I36 PolarHBondContact O-N 2.81Å; D32-I36 VanDerWaalsContact OD2-CD1 3.3Å; D32-I36 WeakPolarHBondContact OD2-CD1 3.29Å; E33-I36 PolarHBondContact O-N 3.43Å; I36-R38 PolarHBondContact O-N 3.05Å; I36-L39 PolarHBondContact O-N 3.34Å; I36-K40 HydrophobicContact CG2-CD 3.97Å; I36-K40 HydrophobicContact CG2-CG 4.34Å; I36-K40 WeakPolarHBondContact O-CB 3.32Å; I36-K40 WeakPolarHBondContact O-CG 3.36Å; I36-K40 PolarHBondContact O-N 2.76Å; I36-T115 HydrophobicContact CD1-CG2 4.18Å; I36-T115 HydrophobicContact CG1-CG2 4.12Å; I36-T115 HydrophobicContact CG2-CG2 4.2Å
37	R	76.4	Confident	76	Confident	122 Å²	122	86.9 Å²	86.9	46%	0.46	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-42.9	177.6	-162.2	-175.8	-64.8	-168.6	-0.5	111.8	E33 R35 K40 N41	E33-R37 VanDerWaalsContact O-CB 3.25Å; E33-R37 WeakPolarHBondContact O-CB 3.49Å; E33-R37 PolarHBondContact O-N 3.21Å; E33-R37 IonicContact OE1-CZ 3.14Å; E33-R37 IonicContact OE1-NE 2.62Å; E33-R37 PolarHBondContact OE1-NE 2.91Å; E33-R37 IonicContact OE1-NH2 2.77Å; E33-R37 PolarHBondContact OE1-NH2 2.86Å; E33-R37 IonicContact OE2-NH2 2.61Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.1Å; R37-K40 PolarHBondContact O-N 2.83Å; R37-N41 VanDerWaalsContact O-CG 3.26Å; R37-N41 PolarHBondContact O-N 2.65Å; R37-N41 PolarHBondContact O-OD1 3.02Å
38	R	81.1	Confident	75.3	Confident	164 Å²	164	91.3 Å²	91.3	62%	0.619	41%	0.414	S	S	*	.	H	α-helix	trans	-61.2	-50.4	173.9	-76.1	-179	-74.2	178	0.4	112.4	K34 R35 I36 K40 N41 E42	K34-R38 PolarHBondContact O-N 2.82Å; K34-R38 PolarHBondContact O-NE 2.98Å; R35-R38 PolarHBondContact O-N 2.68Å; I36-R38 PolarHBondContact O-N 3.05Å; R38-K40 VanDerWaalsContact C-N 3.29Å; R38-K40 PolarHBondContact O-N 3.5Å; R38-N41 PolarHBondContact O-N 3.16Å; R38-E42 PolarHBondContact O-N 3.14Å
39	L	75.4	Confident	74.8	Confident	32 Å²	32	93.1 Å²	93.1	17%	0.168	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-33	179.2	-65	169.7	0	0	0	113.1	R35 I36 L43 L111 A114	R35-L39 HydrophobicContact CG-CD1 4.41Å; R35-L39 PolarHBondContact O-N 2.95Å; I36-L39 PolarHBondContact O-N 3.34Å; L39-L43 PolarHBondContact O-N 2.78Å; L39-L111 HydrophobicContact CB-CD1 3.67Å; L39-A114 HydrophobicContact CD1-CB 3.7Å
40	K	74.9	Confident	74.4	Confident	105 Å²	105	87.9 Å²	87.9	46%	0.457	40%	0.4	S	S	.	.	H	α-helix	trans	-67.9	-42	171.5	-76.3	177.2	178.3	178.3	0	111.8	I36 R37 R38 L43 L44 L111	I36-K40 HydrophobicContact CG2-CD 3.97Å; I36-K40 HydrophobicContact CG2-CG 4.34Å; I36-K40 WeakPolarHBondContact O-CB 3.32Å; I36-K40 WeakPolarHBondContact O-CG 3.36Å; I36-K40 PolarHBondContact O-N 2.76Å; R37-K40 PolarHBondContact O-N 2.83Å; R38-K40 VanDerWaalsContact C-N 3.29Å; R38-K40 PolarHBondContact O-N 3.5Å; K40-L43 PolarHBondContact O-N 2.87Å; K40-L44 WeakPolarHBondContact O-CG 3.21Å; K40-L44 PolarHBondContact O-N 2.87Å; K40-L111 HydrophobicContact CG-CD1 4.22Å; K40-L111 HydrophobicContact CG-CD2 4.09Å
41	N	79	Confident	73.5	Confident	86 Å²	86	84.5 Å²	84.5	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-42.7	177.3	-71	9.4	0	0	0	111.7	R37 R38 L43 L44 E45	R37-N41 VanDerWaalsContact O-CG 3.26Å; R37-N41 PolarHBondContact O-N 2.65Å; R37-N41 PolarHBondContact O-OD1 3.02Å; R38-N41 PolarHBondContact O-N 3.16Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 2.7Å; N41-L44 WeakPolarHBondContact O-CB 3.39Å; N41-L44 PolarHBondContact O-N 2.85Å; N41-L44 VanDerWaalsContact O-N 3.16Å; N41-E45 WeakPolarHBondContact O-CB 3.47Å; N41-E45 PolarHBondContact O-N 2.58Å
42	E	78.5	Confident	72.3	Confident	72 Å²	72	85.6 Å²	85.6	34%	0.336	39%	0.386	S	S	.	.	H	α-helix	trans	-54.9	-46.1	170.8	-72.7	171.4	-136.3	0	0	111.8	R38 L44 E45 I46 K107	R38-E42 PolarHBondContact O-N 3.14Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 2.94Å; E42-E45 PolarHBondContact O-N 2.96Å; E42-I46 WeakPolarHBondContact O-CB 3.33Å; E42-I46 VanDerWaalsContact O-CG1 3.26Å; E42-I46 WeakPolarHBondContact O-CG1 3.42Å; E42-I46 PolarHBondContact O-N 3.35Å; E42-K107 IonicContact OE2-NZ 2.7Å; E42-K107 PolarHBondContact OE2-NZ 2.82Å
43	L	78.1	Confident	71.3	Confident	12 Å²	12	90.2 Å²	90.2	6%	0.063	40%	0.399	C	S	.	.	H	α-helix	trans	-66.3	-33.8	179.1	-177.9	61.1	0	0	0	112.3	L39 K40 N41 K47 V104 K107 E108 L111	L39-L43 PolarHBondContact O-N 2.78Å; K40-L43 PolarHBondContact O-N 2.87Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 2.7Å; L43-K47 HydrophobicContact CG-CD 4.38Å; L43-K47 WeakPolarHBondContact O-CB 3.35Å; L43-K47 WeakPolarHBondContact O-CD 3.34Å; L43-K47 WeakPolarHBondContact O-CG 3.48Å; L43-K47 PolarHBondContact O-N 3.44Å; L43-K47 VanDerWaalsContact O-N 3.12Å; L43-V104 HydrophobicContact CD1-CG1 4.38Å; L43-K107 HydrophobicContact CD1-CB 4.09Å; L43-E108 HydrophobicContact CD1-CB 4.37Å; L43-E108 HydrophobicContact CD2-CB 4.35Å; L43-L111 HydrophobicContact CD2-CD2 3.65Å
44	L	72.1	Confident	70.2	Confident	89 Å²	89	88.8 Å²	88.8	47%	0.466	41%	0.41	S	S	.	.	H	α-helix	trans	-69.1	-42.7	172.4	-72	171.3	0	0	0	111.4	K40 N41 E42 K47 R48	K40-L44 WeakPolarHBondContact O-CG 3.21Å; K40-L44 PolarHBondContact O-N 2.87Å; N41-L44 WeakPolarHBondContact O-CB 3.39Å; N41-L44 PolarHBondContact O-N 2.85Å; N41-L44 VanDerWaalsContact O-N 3.16Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 2.94Å; L44-K47 CarbonylContact O-C 3.5Å; L44-K47 WeakPolarHBondContact O-CA 3.47Å; L44-K47 WeakPolarHBondContact O-CB 3.34Å; L44-K47 PolarHBondContact O-N 3.15Å; L44-K47 VanDerWaalsContact O-N 3.15Å; L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 3.47Å
45	E	78	Confident	68.5	Low	93 Å²	93	85.5 Å²	85.5	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-44.5	177.7	-165.4	-165.7	147.1	0	0	111.6	N41 E42 K47 R48 K49	N41-E45 WeakPolarHBondContact O-CB 3.47Å; N41-E45 PolarHBondContact O-N 2.58Å; E42-E45 PolarHBondContact O-N 2.96Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 2.83Å; E45-R48 PolarHBondContact O-N 3.48Å; E45-R48 VanDerWaalsContact O-N 3.15Å; E45-K49 HydrophobicContact CG-CD 4.16Å; E45-K49 WeakPolarHBondContact O-CB 3.4Å; E45-K49 PolarHBondContact O-N 3.27Å; E45-K49 VanDerWaalsContact OE1-CE 3.26Å; E45-K49 WeakPolarHBondContact OE1-CE 3.43Å; E45-K49 IonicContact OE1-NZ 3.29Å; E45-K49 PolarHBondContact OE1-NZ 3.04Å
46	I	71.3	Confident	66.7	Low	54 Å²	54	87.3 Å²	87.3	28%	0.277	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-31.4	174.8	-65.3	168.4	0	0	0	111	E42 G50 V104 K107	E42-I46 WeakPolarHBondContact O-CB 3.33Å; E42-I46 VanDerWaalsContact O-CG1 3.26Å; E42-I46 WeakPolarHBondContact O-CG1 3.42Å; E42-I46 PolarHBondContact O-N 3.35Å; I46-G50 PolarHBondContact O-N 3.49Å; I46-V104 HydrophobicContact CG2-CG2 3.93Å; I46-K107 HydrophobicContact CD1-CB 4.42Å; I46-K107 HydrophobicContact CD1-CD 4.27Å; I46-K107 HydrophobicContact CD1-CG 3.84Å
47	K	70.4	Confident	65.4	Low	75 Å²	75	95.5 Å²	95.5	33%	0.326	45%	0.453	S	S	.	.	H	α-helix	trans	-71.6	-39.4	171.2	-75.8	169.9	-179.6	179.6	0	112	L43 L44 E45 A51 V104 E108	L43-K47 HydrophobicContact CG-CD 4.38Å; L43-K47 WeakPolarHBondContact O-CB 3.35Å; L43-K47 WeakPolarHBondContact O-CD 3.34Å; L43-K47 WeakPolarHBondContact O-CG 3.48Å; L43-K47 PolarHBondContact O-N 3.44Å; L43-K47 VanDerWaalsContact O-N 3.12Å; L44-K47 CarbonylContact O-C 3.5Å; L44-K47 WeakPolarHBondContact O-CA 3.47Å; L44-K47 WeakPolarHBondContact O-CB 3.34Å; L44-K47 PolarHBondContact O-N 3.15Å; L44-K47 VanDerWaalsContact O-N 3.15Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 2.83Å; K47-A51 WeakPolarHBondContact O-CB 3.48Å; K47-A51 PolarHBondContact O-N 2.83Å; K47-V104 HydrophobicContact CG-CG1 3.98Å; K47-V104 HydrophobicContact CG-CG2 4.47Å; K47-E108 IonicContact NZ-OE1 2.69Å
48	R	68.3	Low	64.4	Low	194 Å²	194	92 Å²	92	73%	0.732	44%	0.44	S	S	*	.	H	α-helix	trans	-63.8	-51.3	174.1	-70.8	177.7	-175.9	-170.9	-1.5	111.4	L44 E45 G50	L44-R48 WeakPolarHBondContact O-CG 3.49Å; L44-R48 PolarHBondContact O-N 3.47Å; E45-R48 PolarHBondContact O-N 3.48Å; E45-R48 VanDerWaalsContact O-N 3.15Å; R48-G50 PolarHBondContact O-N 3.27Å
49	K	66.1	Low	63.2	Low	161 Å²	161	87.7 Å²	87.7	70%	0.7	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.7	-178.3	-71.5	-179.3	171.9	175.3	0	114.4	E45	E45-K49 HydrophobicContact CG-CD 4.16Å; E45-K49 WeakPolarHBondContact O-CB 3.4Å; E45-K49 PolarHBondContact O-N 3.27Å; E45-K49 VanDerWaalsContact OE1-CE 3.26Å; E45-K49 WeakPolarHBondContact OE1-CE 3.43Å; E45-K49 IonicContact OE1-NZ 3.29Å; E45-K49 PolarHBondContact OE1-NZ 3.04Å
50	G	60.5	Low	62.5	Low	11 Å²	11	92.8 Å²	92.8	11%	0.113	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-169.5	58.4	-174.5	0	0	0	0	0	115.9	I46 R48 R65	I46-G50 PolarHBondContact O-N 3.49Å; R48-G50 PolarHBondContact O-N 3.27Å; G50-R65 CarbonylContact C-O 3.48Å; G50-R65 WeakPolarHBondContact CA-O 3.37Å; G50-R65 WeakPolarHBondContact O-CA 3.38Å; G50-R65 WeakPolarHBondContact O-CD 3.37Å
51	A	55.6	Low	62.4	Low	32 Å²	32	94.7 Å²	94.7	26%	0.264	47%	0.467	S	S	.	.			trans	-138.9	134.1	167.3	0	0	0	0	0	113.5	K47 R53	K47-A51 WeakPolarHBondContact O-CB 3.48Å; K47-A51 PolarHBondContact O-N 2.83Å; A51-R53 PolarHBondContact O-N 2.83Å; A51-R53 VanDerWaalsContact O-N 3.08Å
52	K	53.9	Low	62.3	Low	81 Å²	81	92 Å²	92	35%	0.352	45%	0.454	S	S	.	.			trans	-53.3	106.2	164.7	-168.1	175	-174	167.9	0	109.6	G54 Y58	K52-G54 PolarHBondContact O-N 2.88Å; K52-Y58 HydrophobicContact CD-CD2 4.06Å; K52-Y58 HydrophobicContact CD-CE2 4.47Å; K52-Y58 HydrophobicContact CG-CD2 3.62Å; K52-Y58 HydrophobicContact CG-CE2 3.54Å; K52-Y58 HydrophobicContact CG-CG 4.45Å
53	R	51.8	Low	62.4	Low	163 Å²	163	88.7 Å²	88.7	62%	0.615	44%	0.438	S	S	*	.			trans	-57.8	130.8	172.2	-73.4	-168.8	-174.6	-158.5	3.7	107.7	A51 S55	A51-R53 PolarHBondContact O-N 2.83Å; A51-R53 VanDerWaalsContact O-N 3.08Å; R53-S55 PolarHBondContact O-N 3.44Å
54	G	46.1	Very low	62.3	Low	66 Å²	66	88.3 Å²	88.3	68%	0.68	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	20.9	-166.3	0	0	0	0	0	117	K52 K321	K52-G54 PolarHBondContact O-N 2.88Å; G54-K321 WeakPolarHBondContact O-CE 3.31Å; G54-K321 PolarHBondContact O-NZ 3.4Å
55	S	45.4	Very low	62.7	Low	67 Å²	67	85.3 Å²	85.3	47%	0.469	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	13.7	-175.6	-145.7	0	0	0	0	116.8	R53 K321	R53-S55 PolarHBondContact O-N 3.44Å; S55-K321 PolarHBondContact OG-NZ 3.14Å
56	Q	44.4	Very low	62.7	Low	122 Å²	122	83.5 Å²	83.5	57%	0.57	42%	0.416	S	S	*	.	S	Bend	trans	-108.8	138.7	168.1	-79	168.8	-25	0	0	110.9	Y58	Q56-Y58 HydrophobicContact CB-CD2 3.87Å; Q56-Y58 HydrophobicContact CB-CE2 3.54Å; Q56-Y58 WeakPolarHBondContact O-CD2 3.47Å; Q56-Y58 PolarHBondContact O-N 2.79Å; Q56-Y58 VanDerWaalsContact O-N 3.17Å; Q56-Y58 PolarHBondContact OE1-OH 2.67Å
57	H	47.2	Very low	62.9	Low	204 Å²	204	85 Å²	85	94%	0.944	42%	0.422	S	S	*	.			trans	-80.5	88.2	171.8	-77.2	-101.3	0	0	0	109.3
58	Y	53.6	Low	63.1	Low	49 Å²	49	87.1 Å²	87.1	19%	0.192	43%	0.433	C	S	.	.			trans	-84.3	145.1	169.1	-60.9	-102.5	0	0	0	110.4	K52 Q56 Q67	K52-Y58 HydrophobicContact CD-CD2 4.06Å; K52-Y58 HydrophobicContact CD-CE2 4.47Å; K52-Y58 HydrophobicContact CG-CD2 3.62Å; K52-Y58 HydrophobicContact CG-CE2 3.54Å; K52-Y58 HydrophobicContact CG-CG 4.45Å; Q56-Y58 HydrophobicContact CB-CD2 3.87Å; Q56-Y58 HydrophobicContact CB-CE2 3.54Å; Q56-Y58 WeakPolarHBondContact O-CD2 3.47Å; Q56-Y58 PolarHBondContact O-N 2.79Å; Q56-Y58 VanDerWaalsContact O-N 3.17Å; Q56-Y58 PolarHBondContact OE1-OH 2.67Å; Y58-Q67 PolarHBondContact OH-NE2 2.97Å; Y58-Q67 PolarHBondContact OH-OE1 2.71Å
59	S	56.6	Low	63.3	Low	73 Å²	73	80.7 Å²	80.7	51%	0.51	43%	0.428	S	S	.	.			trans	-62.9	158.5	175.1	63.5	0	0	0	0	112.9	R61 T62	S59-R61 PolarHBondContact O-N 3.4Å; S59-T62 PolarHBondContact O-OG1 2.77Å
60	D	61.5	Low	63.6	Low	140 Å²	140	74.1 Å²	74.1	75%	0.749	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	19	177.8	-60.3	-53.8	0	0	0	114.2
61	R	71.3	Confident	63.7	Low	144 Å²	144	76.2 Å²	76.2	54%	0.543	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	23.9	-174.8	-59.3	-170.3	178.5	165.8	0	113	S59 G69 L70 I74	S59-R61 PolarHBondContact O-N 3.4Å; R61-G69 CarbonylContact O-C 3.53Å; R61-G69 WeakPolarHBondContact O-CA 3.31Å; R61-L70 PolarHBondContact O-N 2.83Å; R61-I74 HydrophobicContact CB-CD1 4.48Å; R61-I74 HydrophobicContact CG-CD1 4.05Å
62	T	77.8	Confident	63.9	Low	31 Å²	31	85.6 Å²	85.6	19%	0.19	45%	0.45	C	S	.	.	B	Isolated β-bridge	trans	-124.9	141.5	176	57.3	0	0	0	0	111.9	S59 A64 Q67 E68	S59-T62 PolarHBondContact O-OG1 2.77Å; T62-A64 PolarHBondContact O-N 2.75Å; T62-Q67 WeakPolarHBondContact CB-O 3.4Å; T62-E68 WeakPolarHBondContact CA-O 3.21Å
63	C	80.4	Confident	63.9	Low	1 Å²	1	89.6 Å²	89.6	1%	0.007	47%	0.474	C	S	.	.			trans	-65.2	123.6	174.5	177.8	0	0	0	0	111.3	R65 C66 Q67 E68 L70 C88	C63-R65 PolarHBondContact O-N 2.83Å; C63-R65 PolarHBondContact SG-N 3.32Å; C63-C66 VanDerWaalsContact CB-SG 3.55Å; C63-C66 PolarHBondContact SG-SG 2.86Å; C63-Q67 WeakPolarHBondContact O-CA 3.31Å; C63-Q67 PolarHBondContact O-N 3.16Å; C63-E68 PolarHBondContact N-O 3.35Å; C63-L70 HydrophobicContact CB-CD2 4.39Å; C63-C88 HydrophobicContact CB-CB 4.14Å; C63-C88 PolarHBondContact SG-N 3.06Å; C63-C88 VanDerWaalsContact SG-SG 3.67Å
64	A	76.9	Confident	64.2	Low	5 Å²	5	84.7 Å²	84.7	4%	0.041	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	8.7	178.9	0	0	0	0	0	115.1	T62 H85 L86	T62-A64 PolarHBondContact O-N 2.75Å; A64-H85 HydrophobicContact CB-CB 3.61Å; A64-L86 WeakPolarHBondContact CB-O 3.39Å; A64-L86 PolarHBondContact N-O 2.74Å
65	R	80.6	Confident	64.6	Low	25 Å²	25	85.4 Å²	85.4	9%	0.094	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-76.4	175.3	-57.9	-60.2	171.1	-134.3	10.9	111	G50 C63 Q67 V87 C91 C102	G50-R65 CarbonylContact C-O 3.48Å; G50-R65 WeakPolarHBondContact CA-O 3.37Å; G50-R65 WeakPolarHBondContact O-CA 3.38Å; G50-R65 WeakPolarHBondContact O-CD 3.37Å; C63-R65 PolarHBondContact O-N 2.83Å; C63-R65 PolarHBondContact SG-N 3.32Å; R65-Q67 VanDerWaalsContact C-N 3.29Å; R65-Q67 PolarHBondContact O-N 3.33Å; R65-V87 HydrophobicContact CG-CG1 4.08Å; R65-V87 HydrophobicContact CG-CG2 4.31Å; R65-C91 HydrophobicContact CB-CB 3.69Å; R65-C91 VanDerWaalsContact CB-SG 3.59Å; R65-C91 HydrophobicContact CG-CB 4.08Å; R65-C102 HydrophobicContact CG-CB 4.26Å; R65-C102 PolarHBondContact NE-SG 2.85Å; R65-C102 PolarHBondContact NH2-SG 3.14Å
66	C	77.4	Confident	65.1	Low	55 Å²	55	91.9 Å²	91.9	37%	0.372	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.1	178.5	59.5	0	0	0	0	115.5	C63 E68 C88	C63-C66 VanDerWaalsContact CB-SG 3.55Å; C63-C66 PolarHBondContact SG-SG 2.86Å; C66-E68 HydrophobicContact CB-CB 4.43Å; C66-E68 PolarHBondContact O-N 3.34Å; C66-E68 WeakPolarHBondContact SG-CB 3.37Å; C66-E68 PolarHBondContact SG-OE2 2.83Å; C66-C88 PolarHBondContact SG-SG 2.9Å
67	Q	74.3	Confident	65.9	Low	87 Å²	87	92.3 Å²	92.3	41%	0.407	48%	0.479	S	S	.	.			trans	62	-9.9	-176.6	-52.7	-169.3	32.6	0	0	116.2	Y58 T62 C63 R65	Y58-Q67 PolarHBondContact OH-NE2 2.97Å; Y58-Q67 PolarHBondContact OH-OE1 2.71Å; T62-Q67 WeakPolarHBondContact CB-O 3.4Å; C63-Q67 WeakPolarHBondContact O-CA 3.31Å; C63-Q67 PolarHBondContact O-N 3.16Å; R65-Q67 VanDerWaalsContact C-N 3.29Å; R65-Q67 PolarHBondContact O-N 3.33Å
68	E	74.7	Confident	67.1	Low	118 Å²	118	83.7 Å²	83.7	55%	0.551	44%	0.439	S	S	*	.			trans	-50.3	146.1	175.3	-169	176.6	-152.3	0	0	114.6	T62 C63 C66 L70	T62-E68 WeakPolarHBondContact CA-O 3.21Å; C63-E68 PolarHBondContact N-O 3.35Å; C66-E68 HydrophobicContact CB-CB 4.43Å; C66-E68 PolarHBondContact O-N 3.34Å; C66-E68 WeakPolarHBondContact SG-CB 3.37Å; C66-E68 PolarHBondContact SG-OE2 2.83Å; E68-L70 PolarHBondContact O-N 2.94Å
69	G	72.9	Confident	68.5	Low	60 Å²	60	84 Å²	84	62%	0.619	45%	0.447	S	S	*	.	B	Isolated β-bridge	trans	-70	119.5	-177.4	0	0	0	0	0	113.4	R61	R61-G69 CarbonylContact O-C 3.53Å; R61-G69 WeakPolarHBondContact O-CA 3.31Å
70	L	71.7	Confident	69.8	Low	23 Å²	23	80.6 Å²	80.6	12%	0.12	42%	0.422	C	S	.	.			trans	-84.2	114.7	169.4	-56.5	177.2	0	0	0	108.2	R61 C63 E68 I74 L86 C88	R61-L70 PolarHBondContact O-N 2.83Å; C63-L70 HydrophobicContact CB-CD2 4.39Å; E68-L70 PolarHBondContact O-N 2.94Å; L70-I74 HydrophobicContact CB-CD1 4.19Å; L70-L86 HydrophobicContact CD1-CB 3.88Å; L70-L86 HydrophobicContact CD1-CD2 3.96Å; L70-C88 HydrophobicContact CD2-CB 3.89Å
71	G	63.5	Low	70.8	Confident	55 Å²	55	78 Å²	78	57%	0.567	41%	0.411	S	S	*	.			trans	-59.3	171.8	-171	0	0	0	0	0	115.6	L73 I74	G71-L73 PolarHBondContact O-N 2.97Å; G71-I74 VanDerWaalsContact O-CG1 3.3Å; G71-I74 WeakPolarHBondContact O-CG1 3.16Å
72	R	59	Low	71.1	Confident	229 Å²	229	73.2 Å²	73.2	86%	0.864	41%	0.407	S	S	*	.	S	Bend	trans	-57.3	-17.7	-169.6	-66.6	-174.8	179.8	-169.1	0.6	115.6
73	L	55.8	Low	71.1	Confident	164 Å²	164	73.3 Å²	73.3	86%	0.859	41%	0.409	S	S	*	.			trans	-106.4	92.4	177.1	-63.5	173.6	0	0	0	110.4	G71 P75	G71-L73 PolarHBondContact O-N 2.97Å; L73-P75 VanDerWaalsContact O-CD 3.27Å; L73-P75 WeakPolarHBondContact O-CD 3.4Å
74	I	56.7	Low	71.1	Confident	61 Å²	61	78.8 Å²	78.8	31%	0.313	44%	0.438	S	S	.	.			trans	-101.1	103.8	179.1	-55.3	-176	0	0	0	110	R61 L70 G71 L86	R61-I74 HydrophobicContact CB-CD1 4.48Å; R61-I74 HydrophobicContact CG-CD1 4.05Å; L70-I74 HydrophobicContact CB-CD1 4.19Å; G71-I74 VanDerWaalsContact O-CG1 3.3Å; G71-I74 WeakPolarHBondContact O-CG1 3.16Å; I74-L86 HydrophobicContact CD1-CD2 4.28Å; I74-L86 HydrophobicContact CG2-CD2 4.04Å
75	P	54.8	Low	71.2	Confident	80 Å²	80	82.3 Å²	82.3	52%	0.519	45%	0.454	S	S	.	.			trans	-67.7	145.2	169.8	28.2	-34.7	0	0	0	110.9	L73 N77 N78	L73-P75 VanDerWaalsContact O-CD 3.27Å; L73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-N77 PolarHBondContact O-N 2.82Å; P75-N78 PolarHBondContact O-N 2.88Å
76	K	56.6	Low	71.2	Confident	203 Å²	203	83.4 Å²	83.4	88%	0.883	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-9	-174	-63.8	179.5	179.3	176.6	0	115.2
77	N	61.4	Low	71.5	Confident	132 Å²	132	80.8 Å²	80.8	71%	0.706	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	14.2	-178.5	-83	6.8	0	0	0	115.3	P75 T79 W100	P75-N77 PolarHBondContact O-N 2.82Å; N77-T79 VanDerWaalsContact C-N 3.35Å; N77-W100 WeakPolarHBondContact O-CZ2 3.41Å; N77-W100 PolarHBondContact O-NE1 2.88Å
78	N	71.3	Confident	72	Confident	23 Å²	23	77.2 Å²	77.2	12%	0.123	43%	0.427	C	S	.	.			trans	-90.2	10.4	-178.6	-73.8	-16.9	0	0	0	114.9	P75 L86 V87 R92 W100	P75-N78 PolarHBondContact O-N 2.88Å; N78-L86 WeakPolarHBondContact O-CA 3.43Å; N78-V87 PolarHBondContact O-N 2.98Å; N78-R92 VanDerWaalsContact CG-NH2 3.29Å; N78-R92 PolarHBondContact OD1-NH1 2.91Å; N78-R92 PolarHBondContact OD1-NH2 2.85Å; N78-W100 VanDerWaalsContact C-CZ2 3.48Å; N78-W100 WeakPolarHBondContact O-CH2 3.46Å
79	T	82.9	Confident	72.4	Confident	56 Å²	56	81.1 Å²	81.1	34%	0.344	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-99.2	127.4	-176	-57.7	0	0	0	0	112.7	N77 V81 N84 H85 W100	N77-T79 VanDerWaalsContact C-N 3.35Å; T79-V81 PolarHBondContact O-N 3.03Å; T79-N84 HydrophobicContact CG2-CB 4.38Å; T79-H85 WeakPolarHBondContact CA-O 3.26Å; T79-W100 VanDerWaalsContact C-CH2 3.44Å; T79-W100 VanDerWaalsContact C-CZ2 3.47Å; T79-W100 VanDerWaalsContact O-CZ2 3.29Å; T79-W100 WeakPolarHBondContact O-CZ2 3.02Å
80	C	83.3	Confident	72.8	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	44%	0.439	C	S	.	.			trans	-73.7	119.4	-177.8	167.6	0	0	0	0	112.7	G82 C83 N84 H85 V87 W100 C102	C80-G82 PolarHBondContact O-N 2.82Å; C80-G82 PolarHBondContact SG-N 2.65Å; C80-C83 PolarHBondContact O-N 2.82Å; C80-C83 PolarHBondContact SG-SG 2.97Å; C80-N84 WeakPolarHBondContact O-CA 3.42Å; C80-N84 PolarHBondContact O-N 3.46Å; C80-H85 PolarHBondContact N-O 2.77Å; C80-V87 HydrophobicContact CB-CG2 4.15Å; C80-W100 HydrophobicContact CB-CH2 3.99Å; C80-W100 HydrophobicContact CB-CZ3 3.77Å; C80-C102 HydrophobicContact CB-CB 4.18Å; C80-C102 PolarHBondContact SG-N 2.94Å
81	V	82.4	Confident	73.5	Confident	85 Å²	85	84.7 Å²	84.7	52%	0.515	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.8	-178.4	-168	0	0	0	0	114	T79	T79-V81 PolarHBondContact O-N 3.03Å
82	G	78.3	Confident	74.7	Confident	44 Å²	44	84.3 Å²	84.3	45%	0.454	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-18	176.5	0	0	0	0	0	116.1	C80	C80-G82 PolarHBondContact O-N 2.82Å; C80-G82 PolarHBondContact SG-N 2.65Å
83	C	78.6	Confident	76	Confident	34 Å²	34	77.1 Å²	77.1	23%	0.23	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.8	4.8	-172.9	65	0	0	0	0	115.6	C80 H85	C80-C83 PolarHBondContact O-N 2.82Å; C80-C83 PolarHBondContact SG-SG 2.97Å; C83-H85 PolarHBondContact O-CE1 3.05Å; C83-H85 PolarHBondContact O-N 2.93Å; C83-H85 VanDerWaalsContact O-N 3.1Å; C83-H85 PolarHBondContact O-ND1 3.1Å; C83-H85 VanDerWaalsContact O-ND1 3.14Å
84	N	79.1	Confident	77.5	Confident	115 Å²	115	75.6 Å²	75.6	62%	0.615	39%	0.39	S	S	*	.			trans	54.8	26.6	177.9	-59.7	-14.2	0	0	0	115.3	T79 C80	T79-N84 HydrophobicContact CG2-CB 4.38Å; C80-N84 WeakPolarHBondContact O-CA 3.42Å; C80-N84 PolarHBondContact O-N 3.46Å
85	H	79.7	Confident	78.6	Confident	80 Å²	80	74.9 Å²	74.9	37%	0.37	39%	0.386	S	S	.	.			trans	-100.7	150	175	-62.3	-14.1	0	0	0	112.4	A64 T79 C80 C83	A64-H85 HydrophobicContact CB-CB 3.61Å; T79-H85 WeakPolarHBondContact CA-O 3.26Å; C80-H85 PolarHBondContact N-O 2.77Å; C83-H85 PolarHBondContact O-CE1 3.05Å; C83-H85 PolarHBondContact O-N 2.93Å; C83-H85 VanDerWaalsContact O-N 3.1Å; C83-H85 PolarHBondContact O-ND1 3.1Å; C83-H85 VanDerWaalsContact O-ND1 3.14Å
86	L	81.6	Confident	79.7	Confident	48 Å²	48	77.8 Å²	77.8	25%	0.251	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-70.9	137	168.8	-82.1	78.5	0	0	0	111.3	A64 L70 I74 N78	A64-L86 WeakPolarHBondContact CB-O 3.39Å; A64-L86 PolarHBondContact N-O 2.74Å; L70-L86 HydrophobicContact CD1-CB 3.88Å; L70-L86 HydrophobicContact CD1-CD2 3.96Å; I74-L86 HydrophobicContact CD1-CD2 4.28Å; I74-L86 HydrophobicContact CG2-CD2 4.04Å; N78-L86 WeakPolarHBondContact O-CA 3.43Å
87	V	83.1	Confident	80.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.392	C	S	.	.			trans	-142.4	135.8	-175.8	-174.4	0	0	0	0	110.3	R65 N78 C80 C91 R92 W100 C102	R65-V87 HydrophobicContact CG-CG1 4.08Å; R65-V87 HydrophobicContact CG-CG2 4.31Å; N78-V87 PolarHBondContact O-N 2.98Å; C80-V87 HydrophobicContact CB-CG2 4.15Å; V87-C91 HydrophobicContact CG1-CB 3.24Å; V87-C91 WeakPolarHBondContact CG1-O 3.37Å; V87-R92 HydrophobicContact CG1-CG 4.34Å; V87-R92 PolarHBondContact O-NE 3.14Å; V87-R92 PolarHBondContact O-NH2 2.77Å; V87-W100 HydrophobicContact CB-CH2 4.12Å; V87-W100 HydrophobicContact CB-CZ3 4.11Å; V87-C102 HydrophobicContact CG1-CB 4.18Å; V87-C102 HydrophobicContact CG2-CB 3.91Å
88	C	83.7	Confident	81.4	Confident	11 Å²	11	69.9 Å²	69.9	7%	0.074	39%	0.39	C	S	.	.			trans	-62.8	172.4	173	71.6	0	0	0	0	111.3	C63 C66 L70 C91 R92	C63-C88 HydrophobicContact CB-CB 4.14Å; C63-C88 PolarHBondContact SG-N 3.06Å; C63-C88 VanDerWaalsContact SG-SG 3.67Å; C66-C88 PolarHBondContact SG-SG 2.9Å; L70-C88 HydrophobicContact CD2-CB 3.89Å; C88-C91 VanDerWaalsContact SG-SG 3.65Å; C88-R92 WeakPolarHBondContact O-CG 3.39Å; C88-R92 PolarHBondContact O-NE 3Å
89	R	83.2	Confident	82	Confident	201 Å²	201	70.5 Å²	70.5	76%	0.758	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-63.9	-44.6	179.4	-69.8	-173.8	179.9	-164	1.1	111.7	C91 R92	R89-C91 PolarHBondContact O-N 3.41Å; R89-R92 WeakPolarHBondContact O-CB 3.37Å; R89-R92 WeakPolarHBondContact O-CG 2.97Å; R89-R92 PolarHBondContact O-N 3.28Å
90	E	83.1	Confident	82.3	Confident	139 Å²	139	69.4 Å²	69.4	65%	0.65	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-67.5	-11.1	-176.6	-52.3	-37.7	108.6	0	0	115.2	K103	E90-K103 WeakPolarHBondContact O-CE 3.11Å; E90-K103 PolarHBondContact O-NZ 2.93Å
91	C	84.6	Confident	82.6	Confident	18 Å²	18	71.6 Å²	71.6	12%	0.122	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-103.5	10	176.2	-73.5	0	0	0	0	113.8	R65 V87 C88 R89 C102 K103	R65-C91 HydrophobicContact CB-CB 3.69Å; R65-C91 VanDerWaalsContact CB-SG 3.59Å; R65-C91 HydrophobicContact CG-CB 4.08Å; V87-C91 HydrophobicContact CG1-CB 3.24Å; V87-C91 WeakPolarHBondContact CG1-O 3.37Å; C88-C91 VanDerWaalsContact SG-SG 3.65Å; R89-C91 PolarHBondContact O-N 3.41Å; C91-C102 CarbonylContact O-C 3.59Å; C91-C102 VanDerWaalsContact O-CA 3.26Å; C91-C102 WeakPolarHBondContact O-CA 3.33Å; C91-K103 PolarHBondContact O-N 2.62Å
92	R	88.6	Confident	82.8	Confident	48 Å²	48	67.6 Å²	67.6	18%	0.181	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	161.3	175.3	-48	-178.9	-167.3	-172.9	4.6	111.1	N78 V87 C88 R89 W100 R101	N78-R92 VanDerWaalsContact CG-NH2 3.29Å; N78-R92 PolarHBondContact OD1-NH1 2.91Å; N78-R92 PolarHBondContact OD1-NH2 2.85Å; V87-R92 HydrophobicContact CG1-CG 4.34Å; V87-R92 PolarHBondContact O-NE 3.14Å; V87-R92 PolarHBondContact O-NH2 2.77Å; C88-R92 WeakPolarHBondContact O-CG 3.39Å; C88-R92 PolarHBondContact O-NE 3Å; R89-R92 WeakPolarHBondContact O-CB 3.37Å; R89-R92 WeakPolarHBondContact O-CG 2.97Å; R89-R92 PolarHBondContact O-N 3.28Å; R92-W100 HydrophobicContact CB-CD2 4.33Å; R92-W100 HydrophobicContact CB-CE3 3.69Å; R92-W100 HydrophobicContact CB-CZ3 4.21Å; R92-W100 HydrophobicContact CG-CD2 4.1Å; R92-W100 HydrophobicContact CG-CE3 3.45Å; R92-W100 VanDerWaalsContact CG-CE3 3.45Å; R92-W100 HydrophobicContact CG-CH2 4.22Å; R92-W100 HydrophobicContact CG-CZ3 3.53Å; R92-R101 CarbonylContact C-O 3.52Å; R92-R101 WeakPolarHBondContact CA-O 3.34Å
93	I	88.1	Confident	83.2	Confident	77 Å²	77	70.2 Å²	70.2	40%	0.395	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.7	162.2	-61.9	-168.4	0	0	0	106.3	W100 R101 K103 A106	I93-W100 WeakPolarHBondContact O-CA 3.49Å; I93-W100 WeakPolarHBondContact O-CB 3.12Å; I93-R101 PolarHBondContact N-O 3.4Å; I93-R101 PolarHBondContact O-N 2.84Å; I93-K103 HydrophobicContact CD1-CG 4.03Å; I93-K103 HydrophobicContact CG1-CG 3.83Å; I93-A106 HydrophobicContact CB-CB 4.08Å; I93-A106 HydrophobicContact CD1-CB 3.79Å; I93-A106 HydrophobicContact CG1-CB 4.25Å; I93-A106 HydrophobicContact CG2-CB 4.43Å
94	L	86.4	Confident	83.5	Confident	133 Å²	133	68.9 Å²	68.9	70%	0.696	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.6	175.5	-132.4	76	0	0	0	109.9	W100	L94-W100 HydrophobicContact CD1-CB 4.09Å
95	E	80.9	Confident	83.7	Confident	46 Å²	46	63.8 Å²	63.8	22%	0.215	33%	0.333	C	S	.	.			trans	-95.8	153.4	169.3	-66.7	-169.1	163.1	0	0	109.9	N97 G98 S99 R101	E95-N97 VanDerWaalsContact CB-OD1 3.26Å; E95-N97 WeakPolarHBondContact CB-OD1 3.34Å; E95-N97 PolarHBondContact O-N 3.3Å; E95-N97 PolarHBondContact OE2-ND2 3.16Å; E95-G98 PolarHBondContact O-N 2.96Å; E95-S99 PolarHBondContact N-O 3.19Å; E95-S99 PolarHBondContact OE2-OG 3.34Å; E95-R101 IonicContact OE1-CZ 2.94Å; E95-R101 IonicContact OE1-NE 2.7Å; E95-R101 PolarHBondContact OE1-NE 2.77Å; E95-R101 IonicContact OE1-NH2 3.23Å; E95-R101 PolarHBondContact OE1-NH2 2.9Å; E95-R101 IonicContact OE2-CZ 2.63Å; E95-R101 IonicContact OE2-NE 3.4Å; E95-R101 IonicContact OE2-NH2 3.72Å; E95-R101 PolarHBondContact OE2-NH2 2.87Å
96	S	77.6	Confident	84	Confident	140 Å²	140	60.8 Å²	60.8	98%	0.979	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-0.6	-178.8	53.6	0	0	0	0	115.3
97	N	76.4	Confident	84	Confident	105 Å²	105	60.8 Å²	60.8	56%	0.561	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	6.8	174.5	59.7	22.2	0	0	0	112.9	E95 S99	E95-N97 VanDerWaalsContact CB-OD1 3.26Å; E95-N97 WeakPolarHBondContact CB-OD1 3.34Å; E95-N97 PolarHBondContact O-N 3.3Å; E95-N97 PolarHBondContact OE2-ND2 3.16Å; N97-S99 PolarHBondContact O-N 3.37Å; N97-S99 WeakPolarHBondContact OD1-CA 3.4Å; N97-S99 VanDerWaalsContact OD1-CB 3.26Å; N97-S99 WeakPolarHBondContact OD1-CB 3.48Å; N97-S99 PolarHBondContact OD1-N 3.35Å; N97-S99 PolarHBondContact OD1-OG 3.24Å
98	G	77.6	Confident	83.9	Confident	64 Å²	64	64.3 Å²	64.3	66%	0.66	34%	0.337	S	S	*	.	S	Bend	trans	78.7	-5.5	-177.1	0	0	0	0	0	115.1	E95	E95-G98 PolarHBondContact O-N 2.96Å
99	S	83.6	Confident	83.8	Confident	36 Å²	36	66.5 Å²	66.5	25%	0.252	35%	0.347	S	S	.	.			trans	-81.7	171.2	169.4	81.8	0	0	0	0	111.3	E95 N97	E95-S99 PolarHBondContact N-O 3.19Å; E95-S99 PolarHBondContact OE2-OG 3.34Å; N97-S99 PolarHBondContact O-N 3.37Å; N97-S99 WeakPolarHBondContact OD1-CA 3.4Å; N97-S99 VanDerWaalsContact OD1-CB 3.26Å; N97-S99 WeakPolarHBondContact OD1-CB 3.48Å; N97-S99 PolarHBondContact OD1-N 3.35Å; N97-S99 PolarHBondContact OD1-OG 3.24Å
100	W	88.6	Confident	83.8	Confident	33 Å²	33	60.9 Å²	60.9	13%	0.125	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.4	180	71.8	-93.8	0	0	0	112.1	N77 N78 T79 C80 V87 R92 I93 L94	N77-W100 WeakPolarHBondContact O-CZ2 3.41Å; N77-W100 PolarHBondContact O-NE1 2.88Å; N78-W100 VanDerWaalsContact C-CZ2 3.48Å; N78-W100 WeakPolarHBondContact O-CH2 3.46Å; T79-W100 VanDerWaalsContact C-CH2 3.44Å; T79-W100 VanDerWaalsContact C-CZ2 3.47Å; T79-W100 VanDerWaalsContact O-CZ2 3.29Å; T79-W100 WeakPolarHBondContact O-CZ2 3.02Å; C80-W100 HydrophobicContact CB-CH2 3.99Å; C80-W100 HydrophobicContact CB-CZ3 3.77Å; V87-W100 HydrophobicContact CB-CH2 4.12Å; V87-W100 HydrophobicContact CB-CZ3 4.11Å; R92-W100 HydrophobicContact CB-CD2 4.33Å; R92-W100 HydrophobicContact CB-CE3 3.69Å; R92-W100 HydrophobicContact CB-CZ3 4.21Å; R92-W100 HydrophobicContact CG-CD2 4.1Å; R92-W100 HydrophobicContact CG-CE3 3.45Å; R92-W100 VanDerWaalsContact CG-CE3 3.45Å; R92-W100 HydrophobicContact CG-CH2 4.22Å; R92-W100 HydrophobicContact CG-CZ3 3.53Å; I93-W100 WeakPolarHBondContact O-CA 3.49Å; I93-W100 WeakPolarHBondContact O-CB 3.12Å; L94-W100 HydrophobicContact CD1-CB 4.09Å
101	R	89	Confident	83.7	Confident	47 Å²	47	55.4 Å²	55.4	18%	0.177	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	166.3	172.3	-57.6	-172.6	-150.9	-77.3	-25.9	110.4	R92 I93 E95 C105	R92-R101 CarbonylContact C-O 3.52Å; R92-R101 WeakPolarHBondContact CA-O 3.34Å; I93-R101 PolarHBondContact N-O 3.4Å; I93-R101 PolarHBondContact O-N 2.84Å; E95-R101 IonicContact OE1-CZ 2.94Å; E95-R101 IonicContact OE1-NE 2.7Å; E95-R101 PolarHBondContact OE1-NE 2.77Å; E95-R101 IonicContact OE1-NH2 3.23Å; E95-R101 PolarHBondContact OE1-NH2 2.9Å; E95-R101 IonicContact OE2-CZ 2.63Å; E95-R101 IonicContact OE2-NE 3.4Å; E95-R101 IonicContact OE2-NH2 3.72Å; E95-R101 PolarHBondContact OE2-NH2 2.87Å; R101-C105 HydrophobicContact CB-CB 4.23Å
102	C	87.7	Confident	83.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	154	174.9	76.9	0	0	0	0	111.5	R65 C80 V87 C91 V104 C105 A106	R65-C102 HydrophobicContact CG-CB 4.26Å; R65-C102 PolarHBondContact NE-SG 2.85Å; R65-C102 PolarHBondContact NH2-SG 3.14Å; C80-C102 HydrophobicContact CB-CB 4.18Å; C80-C102 PolarHBondContact SG-N 2.94Å; V87-C102 HydrophobicContact CG1-CB 4.18Å; V87-C102 HydrophobicContact CG2-CB 3.91Å; C91-C102 CarbonylContact O-C 3.59Å; C91-C102 VanDerWaalsContact O-CA 3.26Å; C91-C102 WeakPolarHBondContact O-CA 3.33Å; C102-V104 PolarHBondContact O-N 2.8Å; C102-V104 VanDerWaalsContact O-N 3.11Å; C102-C105 PolarHBondContact O-N 3.07Å; C102-C105 PolarHBondContact SG-SG 2.61Å; C102-A106 PolarHBondContact O-N 2.67Å
103	K	85.7	Confident	83	Confident	99 Å²	99	62.4 Å²	62.4	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-47.1	-41.9	179.5	-75.1	177.3	169.6	169.7	0	113.4	E90 C91 I93 A106 K107	E90-K103 WeakPolarHBondContact O-CE 3.11Å; E90-K103 PolarHBondContact O-NZ 2.93Å; C91-K103 PolarHBondContact O-N 2.62Å; I93-K103 HydrophobicContact CD1-CG 4.03Å; I93-K103 HydrophobicContact CG1-CG 3.83Å; K103-A106 PolarHBondContact O-N 2.61Å; K103-K107 PolarHBondContact O-N 3.09Å
104	V	84.4	Confident	82.4	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-52.3	175.3	176.9	0	0	0	0	112.5	L43 I46 K47 C102 A106 K107 E108	L43-V104 HydrophobicContact CD1-CG1 4.38Å; I46-V104 HydrophobicContact CG2-CG2 3.93Å; K47-V104 HydrophobicContact CG-CG1 3.98Å; K47-V104 HydrophobicContact CG-CG2 4.47Å; C102-V104 PolarHBondContact O-N 2.8Å; C102-V104 VanDerWaalsContact O-N 3.11Å; V104-A106 VanDerWaalsContact C-N 3.31Å; V104-A106 PolarHBondContact O-N 2.85Å; V104-K107 PolarHBondContact O-N 2.94Å; V104-E108 WeakPolarHBondContact O-CB 3.24Å; V104-E108 PolarHBondContact O-N 2.9Å
105	C	83.6	Confident	81.9	Confident	7 Å²	7	55.8 Å²	55.8	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-69.4	-30.2	-177.7	-65.1	0	0	0	0	112.3	R101 C102 I109	R101-C105 HydrophobicContact CB-CB 4.23Å; C102-C105 PolarHBondContact O-N 3.07Å; C102-C105 PolarHBondContact SG-SG 2.61Å; C105-I109 WeakPolarHBondContact O-CD1 3.37Å; C105-I109 VanDerWaalsContact O-CG1 3.3Å; C105-I109 WeakPolarHBondContact O-CG1 3.18Å; C105-I109 PolarHBondContact O-N 3.04Å
106	A	86.5	Confident	81.4	Confident	18 Å²	18	54.7 Å²	54.7	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-49.1	173.5	0	0	0	0	0	111.4	I93 C102 K103 V104 E108 I109 E110	I93-A106 HydrophobicContact CB-CB 4.08Å; I93-A106 HydrophobicContact CD1-CB 3.79Å; I93-A106 HydrophobicContact CG1-CB 4.25Å; I93-A106 HydrophobicContact CG2-CB 4.43Å; C102-A106 PolarHBondContact O-N 2.67Å; K103-A106 PolarHBondContact O-N 2.61Å; V104-A106 VanDerWaalsContact C-N 3.31Å; V104-A106 PolarHBondContact O-N 2.85Å; A106-E108 VanDerWaalsContact C-N 3.29Å; A106-E108 PolarHBondContact O-N 3.44Å; A106-I109 PolarHBondContact O-N 3.27Å; A106-E110 WeakPolarHBondContact O-CB 3.36Å; A106-E110 PolarHBondContact O-N 3.39Å
107	K	82.3	Confident	81	Confident	47 Å²	47	51.9 Å²	51.9	20%	0.204	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-28.4	174.3	-90.9	-84.7	175.4	-178.1	0	113.4	E42 L43 I46 K103 V104 E110 L111	E42-K107 IonicContact OE2-NZ 2.7Å; E42-K107 PolarHBondContact OE2-NZ 2.82Å; L43-K107 HydrophobicContact CD1-CB 4.09Å; I46-K107 HydrophobicContact CD1-CB 4.42Å; I46-K107 HydrophobicContact CD1-CD 4.27Å; I46-K107 HydrophobicContact CD1-CG 3.84Å; K103-K107 PolarHBondContact O-N 3.09Å; V104-K107 PolarHBondContact O-N 2.94Å; K107-E110 VanDerWaalsContact CD-OE2 3.26Å; K107-E110 WeakPolarHBondContact CD-OE2 3.21Å; K107-E110 WeakPolarHBondContact CE-OE1 3.33Å; K107-E110 WeakPolarHBondContact CE-OE2 3.46Å; K107-E110 IonicContact NZ-OE1 2.71Å; K107-E110 PolarHBondContact NZ-OE1 3.34Å; K107-E110 IonicContact NZ-OE2 3.37Å; K107-E110 PolarHBondContact O-N 3.47Å; K107-L111 WeakPolarHBondContact O-CB 3.33Å; K107-L111 PolarHBondContact O-N 2.89Å
108	E	81.3	Confident	80.7	Confident	75 Å²	75	52.8 Å²	52.8	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-69.2	-38.8	171.8	-174.8	163	-123.4	0	0	112.4	L43 K47 V104 A106 K112	L43-E108 HydrophobicContact CD1-CB 4.37Å; L43-E108 HydrophobicContact CD2-CB 4.35Å; K47-E108 IonicContact NZ-OE1 2.69Å; V104-E108 WeakPolarHBondContact O-CB 3.24Å; V104-E108 PolarHBondContact O-N 2.9Å; A106-E108 VanDerWaalsContact C-N 3.29Å; A106-E108 PolarHBondContact O-N 3.44Å; E108-K112 WeakPolarHBondContact O-CG 3.15Å; E108-K112 PolarHBondContact O-N 3.37Å
109	I	80.9	Confident	79.5	Confident	57 Å²	57	55.1 Å²	55.1	29%	0.292	27%	0.269	S	S	.	.	H	α-helix	trans	-69.5	-36.9	171.1	-69.8	164.9	0	0	0	111.2	C105 A106 K112 K113	C105-I109 WeakPolarHBondContact O-CD1 3.37Å; C105-I109 VanDerWaalsContact O-CG1 3.3Å; C105-I109 WeakPolarHBondContact O-CG1 3.18Å; C105-I109 PolarHBondContact O-N 3.04Å; A106-I109 PolarHBondContact O-N 3.27Å; I109-K112 PolarHBondContact O-N 3.08Å; I109-K113 HydrophobicContact CG2-CD 4.3Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.19Å; I109-K113 PolarHBondContact O-N 3.19Å
110	E	82.3	Confident	78.2	Confident	82 Å²	82	60.3 Å²	60.3	38%	0.383	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-46.8	174.3	-168	-169.5	133.2	0	0	111.5	A106 K107 K112 K113 A114	A106-E110 WeakPolarHBondContact O-CB 3.36Å; A106-E110 PolarHBondContact O-N 3.39Å; K107-E110 VanDerWaalsContact CD-OE2 3.26Å; K107-E110 WeakPolarHBondContact CD-OE2 3.21Å; K107-E110 WeakPolarHBondContact CE-OE1 3.33Å; K107-E110 WeakPolarHBondContact CE-OE2 3.46Å; K107-E110 IonicContact NZ-OE1 2.71Å; K107-E110 PolarHBondContact NZ-OE1 3.34Å; K107-E110 IonicContact NZ-OE2 3.37Å; K107-E110 PolarHBondContact O-N 3.47Å; E110-K112 PolarHBondContact O-N 2.91Å; E110-K113 WeakPolarHBondContact O-CB 3.27Å; E110-K113 PolarHBondContact O-N 2.88Å; E110-K113 VanDerWaalsContact O-N 3.15Å; E110-A114 WeakPolarHBondContact O-CB 3.28Å; E110-A114 PolarHBondContact O-N 3.31Å
111	L	80.8	Confident	76.5	Confident	24 Å²	24	60.7 Å²	60.7	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-49.9	172.6	178.9	65.6	0	0	0	110.7	L39 K40 L43 K107 K113 A114 T115	L39-L111 HydrophobicContact CB-CD1 3.67Å; K40-L111 HydrophobicContact CG-CD1 4.22Å; K40-L111 HydrophobicContact CG-CD2 4.09Å; L43-L111 HydrophobicContact CD2-CD2 3.65Å; K107-L111 WeakPolarHBondContact O-CB 3.33Å; K107-L111 PolarHBondContact O-N 2.89Å; L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.37Å; L111-A114 CarbonylContact O-C 3.49Å; L111-A114 PolarHBondContact O-N 3.38Å; L111-T115 HydrophobicContact CD1-CG2 3.97Å; L111-T115 HydrophobicContact CG-CG2 4.33Å; L111-T115 WeakPolarHBondContact O-CG2 3.48Å; L111-T115 PolarHBondContact O-N 3.3Å; L111-T115 PolarHBondContact O-OG1 3.23Å
112	K	78.9	Confident	74.7	Confident	77 Å²	77	64 Å²	64	34%	0.335	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-33	176.3	-77	-174.9	170.5	-167	0	113.7	E108 I109 E110 T115 G116 D117 W118 D121	E108-K112 WeakPolarHBondContact O-CG 3.15Å; E108-K112 PolarHBondContact O-N 3.37Å; I109-K112 PolarHBondContact O-N 3.08Å; E110-K112 PolarHBondContact O-N 2.91Å; K112-T115 WeakPolarHBondContact CA-OG1 3.29Å; K112-T115 PolarHBondContact O-OG1 2.89Å; K112-G116 CarbonylContact O-C 3.57Å; K112-G116 PolarHBondContact O-N 3.37Å; K112-D117 HydrophobicContact CB-CB 4.13Å; K112-D117 HydrophobicContact CG-CB 4Å; K112-D117 PolarHBondContact O-N 3.33Å; K112-D117 VanDerWaalsContact O-N 3.08Å; K112-W118 HydrophobicContact CB-CB 4.49Å; K112-W118 WeakPolarHBondContact O-CB 3.33Å; K112-W118 PolarHBondContact O-N 3.44Å; K112-D121 IonicContact NZ-OD2 3.05Å; K112-D121 PolarHBondContact NZ-OD2 2.84Å
113	K	79.4	Confident	73	Confident	137 Å²	137	70.6 Å²	70.6	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-67.2	-46.5	172	-75.7	168.2	179.8	176.4	0	110.5	I109 E110 L111 G116 W118	I109-K113 HydrophobicContact CG2-CD 4.3Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.19Å; I109-K113 PolarHBondContact O-N 3.19Å; E110-K113 WeakPolarHBondContact O-CB 3.27Å; E110-K113 PolarHBondContact O-N 2.88Å; E110-K113 VanDerWaalsContact O-N 3.15Å; L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.37Å; K113-G116 PolarHBondContact O-N 2.9Å; K113-W118 HydrophobicContact CG-CB 4.36Å; K113-W118 HydrophobicContact CG-CG 4.39Å
114	A	75.5	Confident	71.3	Confident	31 Å²	31	67.6 Å²	67.6	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-71.1	-26.8	-176.4	0	0	0	0	0	114.4	R35 L39 E110 L111	R35-A114 VanDerWaalsContact CZ-O 3.3Å; R35-A114 PolarHBondContact NH1-O 2.98Å; R35-A114 PolarHBondContact NH2-O 3.07Å; L39-A114 HydrophobicContact CD1-CB 3.7Å; E110-A114 WeakPolarHBondContact O-CB 3.28Å; E110-A114 PolarHBondContact O-N 3.31Å; L111-A114 CarbonylContact O-C 3.49Å; L111-A114 PolarHBondContact O-N 3.38Å
115	T	76.1	Confident	69.8	Low	39 Å²	39	70.7 Å²	70.7	24%	0.239	34%	0.341	C	S	.	.	H	α-helix	trans	-89.9	-14	174.9	54	0	0	0	0	113.8	I36 L111 K112 D117	I36-T115 HydrophobicContact CD1-CG2 4.18Å; I36-T115 HydrophobicContact CG1-CG2 4.12Å; I36-T115 HydrophobicContact CG2-CG2 4.2Å; L111-T115 HydrophobicContact CD1-CG2 3.97Å; L111-T115 HydrophobicContact CG-CG2 4.33Å; L111-T115 WeakPolarHBondContact O-CG2 3.48Å; L111-T115 PolarHBondContact O-N 3.3Å; L111-T115 PolarHBondContact O-OG1 3.23Å; K112-T115 WeakPolarHBondContact CA-OG1 3.29Å; K112-T115 PolarHBondContact O-OG1 2.89Å; T115-D117 VanDerWaalsContact C-N 3.32Å; T115-D117 WeakPolarHBondContact CB-OD2 3.22Å; T115-D117 PolarHBondContact OG1-N 3.14Å; T115-D117 PolarHBondContact OG1-OD2 3.41Å
116	G	71.3	Confident	68.1	Low	24 Å²	24	78.8 Å²	78.8	25%	0.247	37%	0.37	C	S	.	.	S	Bend	trans	86.3	-8.1	-171	0	0	0	0	0	114.9	K112 K113 W118 F119	K112-G116 CarbonylContact O-C 3.57Å; K112-G116 PolarHBondContact O-N 3.37Å; K113-G116 PolarHBondContact O-N 2.9Å; G116-W118 PolarHBondContact O-N 2.87Å; G116-W118 VanDerWaalsContact O-N 3.07Å; G116-F119 WeakPolarHBondContact O-CB 3.33Å; G116-F119 PolarHBondContact O-N 3.37Å
117	D	69.4	Low	66.3	Low	80 Å²	80	82.8 Å²	82.8	43%	0.428	39%	0.385	S	S	.	.	H	α-helix	trans	-54.2	-32	179.2	-66.6	-44.1	0	0	0	112.9	K112 T115 F119 Y120 D121	K112-D117 HydrophobicContact CB-CB 4.13Å; K112-D117 HydrophobicContact CG-CB 4Å; K112-D117 PolarHBondContact O-N 3.33Å; K112-D117 VanDerWaalsContact O-N 3.08Å; T115-D117 VanDerWaalsContact C-N 3.32Å; T115-D117 WeakPolarHBondContact CB-OD2 3.22Å; T115-D117 PolarHBondContact OG1-N 3.14Å; T115-D117 PolarHBondContact OG1-OD2 3.41Å; D117-F119 PolarHBondContact O-N 2.87Å; D117-F119 VanDerWaalsContact O-N 3.15Å; D117-Y120 PolarHBondContact O-N 2.88Å; D117-Y120 VanDerWaalsContact O-N 3.11Å; D117-D121 PolarHBondContact O-N 3.01Å
118	W	69.2	Low	64.7	Low	125 Å²	125	82.4 Å²	82.4	47%	0.473	39%	0.39	S	S	.	.	H	α-helix	trans	-53.7	-32.5	176.2	77.9	-83	0	0	0	113.6	K112 K113 G116 Q122	K112-W118 HydrophobicContact CB-CB 4.49Å; K112-W118 WeakPolarHBondContact O-CB 3.33Å; K112-W118 PolarHBondContact O-N 3.44Å; K113-W118 HydrophobicContact CG-CB 4.36Å; K113-W118 HydrophobicContact CG-CG 4.39Å; G116-W118 PolarHBondContact O-N 2.87Å; G116-W118 VanDerWaalsContact O-N 3.07Å; W118-Q122 HydrophobicContact CE3-CG 3.93Å; W118-Q122 HydrophobicContact CZ3-CG 4.2Å; W118-Q122 WeakPolarHBondContact O-CB 3.32Å; W118-Q122 WeakPolarHBondContact O-CG 3.41Å; W118-Q122 PolarHBondContact O-N 3.43Å
119	F	53.2	Low	63	Low	112 Å²	112	87.2 Å²	87.2	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-69.6	-37.8	-178.4	177.1	-102.3	0	0	0	111.3	G116 D117 Q122 K123	G116-F119 WeakPolarHBondContact O-CB 3.33Å; G116-F119 PolarHBondContact O-N 3.37Å; D117-F119 PolarHBondContact O-N 2.87Å; D117-F119 VanDerWaalsContact O-N 3.15Å; F119-Q122 PolarHBondContact O-N 3.49Å; F119-K123 WeakPolarHBondContact O-CB 3.32Å; F119-K123 PolarHBondContact O-N 3.37Å
120	Y	55.3	Low	61.5	Low	145 Å²	145	90.8 Å²	90.8	57%	0.569	42%	0.416	S	S	*	.	H	α-helix	trans	-71.3	-44.8	177.2	-60.3	-84	0	0	0	110.9	D117 Q122 K123 V124	D117-Y120 PolarHBondContact O-N 2.88Å; D117-Y120 VanDerWaalsContact O-N 3.11Å; Y120-Q122 VanDerWaalsContact C-N 3.31Å; Y120-Q122 PolarHBondContact O-N 2.92Å; Y120-K123 PolarHBondContact O-N 2.82Å; Y120-V124 WeakPolarHBondContact O-CB 3.32Å; Y120-V124 VanDerWaalsContact O-CG2 3.29Å; Y120-V124 WeakPolarHBondContact O-CG2 3.45Å; Y120-V124 PolarHBondContact O-N 3.19Å
121	D	53.8	Low	60.1	Low	41 Å²	41	90.6 Å²	90.6	22%	0.219	42%	0.421	C	S	.	.	H	α-helix	trans	-57.7	-42.1	172	-88.4	-16	0	0	0	111.8	K112 D117 N125	K112-D121 IonicContact NZ-OD2 3.05Å; K112-D121 PolarHBondContact NZ-OD2 2.84Å; D117-D121 PolarHBondContact O-N 3.01Å; D121-N125 WeakPolarHBondContact O-CB 3.39Å; D121-N125 PolarHBondContact O-N 3.39Å; D121-N125 PolarHBondContact O-ND2 2.8Å
122	Q	50.9	Low	58.7	Low	118 Å²	118	91.8 Å²	91.8	55%	0.551	44%	0.439	S	S	*	.	H	α-helix	trans	-66.5	-46.7	176.3	-81	-66.8	-29.1	0	0	112.7	W118 F119 Y120 V124 N125 R126	W118-Q122 HydrophobicContact CE3-CG 3.93Å; W118-Q122 HydrophobicContact CZ3-CG 4.2Å; W118-Q122 WeakPolarHBondContact O-CB 3.32Å; W118-Q122 WeakPolarHBondContact O-CG 3.41Å; W118-Q122 PolarHBondContact O-N 3.43Å; F119-Q122 PolarHBondContact O-N 3.49Å; Y120-Q122 VanDerWaalsContact C-N 3.31Å; Y120-Q122 PolarHBondContact O-N 2.92Å; Q122-V124 PolarHBondContact O-N 3.42Å; Q122-N125 PolarHBondContact O-N 2.84Å; Q122-R126 WeakPolarHBondContact O-CB 3.26Å; Q122-R126 PolarHBondContact O-N 3.43Å
123	K	51.2	Low	57.6	Low	137 Å²	137	91.1 Å²	91.1	60%	0.596	44%	0.444	S	S	*	.	H	α-helix	trans	-58	-35.4	178.2	-176.4	175.6	179.7	178.4	0	112.1	F119 Y120	F119-K123 WeakPolarHBondContact O-CB 3.32Å; F119-K123 PolarHBondContact O-N 3.37Å; Y120-K123 PolarHBondContact O-N 2.82Å
124	V	51.7	Low	56.1	Low	36 Å²	36	86.6 Å²	86.6	22%	0.218	43%	0.425	C	S	.	.	H	α-helix	trans	-78.9	-45.3	-180	165.2	0	0	0	0	112.1	Y120 Q122 R126 S334 T335	Y120-V124 WeakPolarHBondContact O-CB 3.32Å; Y120-V124 VanDerWaalsContact O-CG2 3.29Å; Y120-V124 WeakPolarHBondContact O-CG2 3.45Å; Y120-V124 PolarHBondContact O-N 3.19Å; Q122-V124 PolarHBondContact O-N 3.42Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.2Å; V124-S334 VanDerWaalsContact CG1-C 3.46Å; V124-S334 WeakPolarHBondContact CG1-OG 3.29Å; V124-T335 HydrophobicContact CB-CG2 4.36Å; V124-T335 HydrophobicContact CG1-CG2 4.43Å; V124-T335 HydrophobicContact CG2-CG2 3.99Å
125	N	51.3	Low	55.3	Low	73 Å²	73	87.4 Å²	87.4	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-68.9	-27.9	178.4	-79.3	-73.5	0	0	0	113.2	D121 Q122 F127 A128	D121-N125 WeakPolarHBondContact O-CB 3.39Å; D121-N125 PolarHBondContact O-N 3.39Å; D121-N125 PolarHBondContact O-ND2 2.8Å; Q122-N125 PolarHBondContact O-N 2.84Å; N125-F127 PolarHBondContact O-N 3.05Å; N125-A128 PolarHBondContact O-N 2.64Å
126	R	48	Very low	54.4	Low	176 Å²	176	90.7 Å²	90.7	66%	0.664	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.4	179.5	-164.4	172.3	-149.4	164.2	10.8	114.7	Q122 V124	Q122-R126 WeakPolarHBondContact O-CB 3.26Å; Q122-R126 PolarHBondContact O-N 3.43Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.2Å
127	F	49.1	Very low	54	Low	102 Å²	102	95.6 Å²	95.6	45%	0.447	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	0.8	-178	-56.3	-66.9	0	0	0	113.9	N125 Y129 R130 I135	N125-F127 PolarHBondContact O-N 3.05Å; F127-Y129 PolarHBondContact O-N 2.94Å; F127-R130 PolarHBondContact O-N 3.47Å; F127-I135 HydrophobicContact CB-CD1 3.97Å; F127-I135 HydrophobicContact CD1-CD1 3.64Å; F127-I135 HydrophobicContact CD1-CG1 3.87Å; F127-I135 HydrophobicContact CD1-CG2 4.13Å; F127-I135 HydrophobicContact CE1-CD1 4.47Å; F127-I135 HydrophobicContact CE1-CG1 4.45Å; F127-I135 HydrophobicContact CE1-CG2 3.91Å; F127-I135 HydrophobicContact CG-CD1 4.05Å
128	A	48.2	Very low	53.3	Low	39 Å²	39	96.4 Å²	96.4	32%	0.322	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.8	-171.7	0	0	0	0	0	115	N125	N125-A128 PolarHBondContact O-N 2.64Å
129	Y	47.4	Very low	52.6	Low	176 Å²	176	94.1 Å²	94.1	69%	0.69	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	22.7	-178.1	-54.3	-76.2	0	0	0	113.2	F127 S332	F127-Y129 PolarHBondContact O-N 2.94Å; Y129-S332 PolarHBondContact OH-OG 2.63Å
130	R	49.4	Very low	52.9	Low	133 Å²	133	95.7 Å²	95.7	50%	0.502	47%	0.468	S	S	.	.			trans	-128	133.5	-179.7	-66.3	-65.6	179.9	-172	-5.9	111.6	F127 E134 I135	F127-R130 PolarHBondContact O-N 3.47Å; R130-E134 HydrophobicContact CB-CB 4.47Å; R130-E134 WeakPolarHBondContact CD-OE1 3.13Å; R130-E134 IonicContact CZ-OE1 3.64Å; R130-E134 IonicContact NE-OE1 3.81Å; R130-E134 IonicContact NH1-OE1 2.71Å; R130-E134 PolarHBondContact NH1-OE1 3.31Å; R130-I135 HydrophobicContact CB-CD1 4.32Å; R130-I135 HydrophobicContact CB-CG1 3.86Å
131	T	52.7	Low	53.1	Low	78 Å²	78	98.8 Å²	98.8	48%	0.479	48%	0.479	S	S	.	.			trans	-69.8	149.8	168.6	58	0	0	0	0	110.6	S133 E134 I135	T131-S133 PolarHBondContact O-N 3.49Å; T131-S133 VanDerWaalsContact O-N 3.09Å; T131-E134 PolarHBondContact N-OE2 2.89Å; T131-E134 WeakPolarHBondContact O-CB 3.31Å; T131-E134 PolarHBondContact O-N 3.17Å; T131-E134 WeakPolarHBondContact OG1-CG 3.18Å; T131-E134 PolarHBondContact OG1-OE2 3.42Å; T131-I135 PolarHBondContact O-N 3.47Å; T131-I135 VanDerWaalsContact O-N 3.16Å
132	G	50.1	Low	52.7	Low	48 Å²	48	105.2 Å²	105.2	50%	0.495	50%	0.5	S	S	.	.	H	α-helix	trans	-55.7	-32	-178.3	0	0	0	0	0	113.9	I135 I136	G132-I135 PolarHBondContact O-N 3.49Å; G132-I136 WeakPolarHBondContact O-CG1 3.29Å; G132-I136 PolarHBondContact O-N 2.93Å
133	S	56.1	Low	52.6	Low	63 Å²	63	109 Å²	109	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-72.4	-27	176.7	69.5	0	0	0	0	113.4	T131 R137	T131-S133 PolarHBondContact O-N 3.49Å; T131-S133 VanDerWaalsContact O-N 3.09Å; S133-R137 WeakPolarHBondContact O-CB 3.12Å; S133-R137 WeakPolarHBondContact O-CG 3.48Å; S133-R137 PolarHBondContact O-N 3.04Å; S133-R137 VanDerWaalsContact O-N 3.09Å; S133-R137 PolarHBondContact O-NE 3.41Å; S133-R137 PolarHBondContact OG-NH2 2.99Å
134	E	47.5	Very low	52.2	Low	43 Å²	43	108.3 Å²	108.3	20%	0.201	53%	0.525	C	S	.	.	H	α-helix	trans	-72.2	-41.5	169	-70.1	168.9	89.7	0	0	111.4	R130 T131 I136 R137 M138	R130-E134 HydrophobicContact CB-CB 4.47Å; R130-E134 WeakPolarHBondContact CD-OE1 3.13Å; R130-E134 IonicContact CZ-OE1 3.64Å; R130-E134 IonicContact NE-OE1 3.81Å; R130-E134 IonicContact NH1-OE1 2.71Å; R130-E134 PolarHBondContact NH1-OE1 3.31Å; T131-E134 PolarHBondContact N-OE2 2.89Å; T131-E134 WeakPolarHBondContact O-CB 3.31Å; T131-E134 PolarHBondContact O-N 3.17Å; T131-E134 WeakPolarHBondContact OG1-CG 3.18Å; T131-E134 PolarHBondContact OG1-OE2 3.42Å; E134-I136 VanDerWaalsContact C-N 3.3Å; E134-I136 PolarHBondContact O-N 3.14Å; E134-R137 CarbonylContact O-C 3.23Å; E134-R137 PolarHBondContact O-N 3.14Å; E134-M138 WeakPolarHBondContact O-CB 3.36Å; E134-M138 WeakPolarHBondContact O-CG 3.43Å; E134-M138 PolarHBondContact O-N 2.8Å
135	I	58.8	Low	51.9	Low	48 Å²	48	111 Å²	111	25%	0.246	55%	0.551	C	S	.	*	H	α-helix	trans	-59.2	-45.7	178.8	-59.6	173.1	0	0	0	109.8	F127 R130 T131 G132 M138 S139	F127-I135 HydrophobicContact CB-CD1 3.97Å; F127-I135 HydrophobicContact CD1-CD1 3.64Å; F127-I135 HydrophobicContact CD1-CG1 3.87Å; F127-I135 HydrophobicContact CD1-CG2 4.13Å; F127-I135 HydrophobicContact CE1-CD1 4.47Å; F127-I135 HydrophobicContact CE1-CG1 4.45Å; F127-I135 HydrophobicContact CE1-CG2 3.91Å; F127-I135 HydrophobicContact CG-CD1 4.05Å; R130-I135 HydrophobicContact CB-CD1 4.32Å; R130-I135 HydrophobicContact CB-CG1 3.86Å; T131-I135 PolarHBondContact O-N 3.47Å; T131-I135 VanDerWaalsContact O-N 3.16Å; G132-I135 PolarHBondContact O-N 3.49Å; I135-M138 PolarHBondContact O-N 3.36Å; I135-S139 PolarHBondContact O-N 2.98Å; I135-S139 PolarHBondContact O-OG 3.21Å
136	I	57.5	Low	51.8	Low	107 Å²	107	112.3 Å²	112.3	55%	0.549	57%	0.572	S	S	.	*	H	α-helix	trans	-62.7	-49.2	174.6	-67.3	167.4	0	0	0	110.8	G132 E134 M138 S139 L140	G132-I136 WeakPolarHBondContact O-CG1 3.29Å; G132-I136 PolarHBondContact O-N 2.93Å; E134-I136 VanDerWaalsContact C-N 3.3Å; E134-I136 PolarHBondContact O-N 3.14Å; I136-M138 VanDerWaalsContact C-N 3.26Å; I136-M138 PolarHBondContact O-N 3.19Å; I136-S139 PolarHBondContact O-N 3.49Å; I136-L140 HydrophobicContact CG2-CD1 3.75Å; I136-L140 HydrophobicContact CG2-CG 4.33Å; I136-L140 WeakPolarHBondContact O-CB 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.44Å; I136-L140 PolarHBondContact O-N 2.92Å
137	R	62.2	Low	51.9	Low	127 Å²	127	111.3 Å²	111.3	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-60	-32	176.7	-82.7	177.1	-79	128.3	-3.6	113.5	S133 E134 R141	S133-R137 WeakPolarHBondContact O-CB 3.12Å; S133-R137 WeakPolarHBondContact O-CG 3.48Å; S133-R137 PolarHBondContact O-N 3.04Å; S133-R137 VanDerWaalsContact O-N 3.09Å; S133-R137 PolarHBondContact O-NE 3.41Å; S133-R137 PolarHBondContact OG-NH2 2.99Å; E134-R137 CarbonylContact O-C 3.23Å; E134-R137 PolarHBondContact O-N 3.14Å; R137-R141 WeakPolarHBondContact O-CB 3.39Å; R137-R141 WeakPolarHBondContact O-CD 3.18Å; R137-R141 WeakPolarHBondContact O-CG 3.43Å; R137-R141 PolarHBondContact O-N 2.66Å
138	M	56.7	Low	51.7	Low	98 Å²	98	115.5 Å²	115.5	48%	0.483	60%	0.597	S	S	.	*	H	α-helix	trans	-76.2	-39.4	176.3	-74.3	-177.1	70.4	0	0	112.4	E134 I135 I136 R141 R142	E134-M138 WeakPolarHBondContact O-CB 3.36Å; E134-M138 WeakPolarHBondContact O-CG 3.43Å; E134-M138 PolarHBondContact O-N 2.8Å; I135-M138 PolarHBondContact O-N 3.36Å; I136-M138 VanDerWaalsContact C-N 3.26Å; I136-M138 PolarHBondContact O-N 3.19Å; M138-R141 PolarHBondContact O-N 2.77Å; M138-R142 PolarHBondContact O-N 2.87Å
139	S	54.3	Low	51.8	Low	77 Å²	77	125 Å²	125	54%	0.538	63%	0.625	S	S	.	*	H	α-helix	trans	-63.8	-44.4	172.7	-70.1	0	0	0	0	111.7	I135 I136 R141 R142	I135-S139 PolarHBondContact O-N 2.98Å; I135-S139 PolarHBondContact O-OG 3.21Å; I136-S139 PolarHBondContact O-N 3.49Å; S139-R141 PolarHBondContact O-N 3.19Å; S139-R142 PolarHBondContact O-N 3.4Å; S139-R142 VanDerWaalsContact O-N 3.09Å
140	L	57.9	Low	51.9	Low	144 Å²	144	122.4 Å²	122.4	75%	0.754	62%	0.619	S	S	*	*	H	α-helix	trans	-65.6	-22.5	176.5	-67.6	172	0	0	0	113.6	I136	I136-L140 HydrophobicContact CG2-CD1 3.75Å; I136-L140 HydrophobicContact CG2-CG 4.33Å; I136-L140 WeakPolarHBondContact O-CB 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.44Å; I136-L140 PolarHBondContact O-N 2.92Å
141	R	59.7	Low	52.5	Low	211 Å²	211	120.2 Å²	120.2	80%	0.796	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-10.2	174	-77.3	174.8	177.4	-162.8	-2.2	113.9	R137 M138 S139 K143	R137-R141 WeakPolarHBondContact O-CB 3.39Å; R137-R141 WeakPolarHBondContact O-CD 3.18Å; R137-R141 WeakPolarHBondContact O-CG 3.43Å; R137-R141 PolarHBondContact O-N 2.66Å; M138-R141 PolarHBondContact O-N 2.77Å; S139-R141 PolarHBondContact O-N 3.19Å; R141-K143 PolarHBondContact O-N 2.79Å; R141-K143 VanDerWaalsContact O-N 3.13Å
142	R	46.7	Very low	52.8	Low	176 Å²	176	121.9 Å²	121.9	66%	0.664	63%	0.631	S	S	*	*			trans	-82.2	85.5	173.5	-73.6	-179.9	175.9	-165.1	-2.4	110.5	M138 S139	M138-R142 PolarHBondContact O-N 2.87Å; S139-R142 PolarHBondContact O-N 3.4Å; S139-R142 VanDerWaalsContact O-N 3.09Å
143	K	47.2	Very low	52.9	Low	196 Å²	196	121.4 Å²	121.4	85%	0.852	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-54.3	130.7	152.7	-73.9	-168.7	175.4	-174.9	0	107.8	R141 A145	R141-K143 PolarHBondContact O-N 2.79Å; R141-K143 VanDerWaalsContact O-N 3.13Å; K143-A145 PolarHBondContact O-N 3.32Å
144	P	44.6	Very low	53	Low	124 Å²	124	123.4 Å²	123.4	81%	0.805	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-62	123.2	170.2	-19.7	32	0	0	0	109	A146	P144-A146 PolarHBondContact O-N 2.76Å
145	A	44.8	Very low	53.2	Low	93 Å²	93	124.2 Å²	124.2	77%	0.769	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-66.3	122.1	162.4	0	0	0	0	0	107.1	K143 N147	K143-A145 PolarHBondContact O-N 3.32Å; A145-N147 VanDerWaalsContact C-N 3.28Å; A145-N147 PolarHBondContact O-N 2.85Å
146	A	48.5	Very low	53	Low	100 Å²	100	126.6 Å²	126.6	83%	0.826	65%	0.651	S	S	*	*	S	Bend	trans	-74.9	79.6	-173.3	0	0	0	0	0	111.4	P144	P144-A146 PolarHBondContact O-N 2.76Å
147	N	49.7	Very low	52.6	Low	154 Å²	154	127 Å²	127	82%	0.824	65%	0.653	S	S	*	*			trans	-141.2	90	166	-91.1	-39.1	0	0	0	107.9	A145 R149	A145-N147 VanDerWaalsContact C-N 3.28Å; A145-N147 PolarHBondContact O-N 2.85Å; N147-R149 PolarHBondContact O-N 2.79Å
148	K	45.6	Very low	52	Low	191 Å²	191	126 Å²	126	83%	0.83	65%	0.654	S	S	*	*			trans	-65.6	114.2	171.3	-71.7	-179.3	180	176.6	0	108
149	R	51.3	Low	51.6	Low	237 Å²	237	128.3 Å²	128.3	89%	0.894	66%	0.664	S	S	*	*			trans	-92.1	103.5	160.1	-159.1	175.7	-163.5	170.9	5.4	106.4	N147	N147-R149 PolarHBondContact O-N 2.79Å
150	E	48.6	Very low	51.2	Low	122 Å²	122	129.1 Å²	129.1	57%	0.57	67%	0.666	S	S	*	*			trans	-61	139.6	-176.3	-62.1	-173.7	144.8	0	0	110.5
151	T	62.1	Low	50.6	Low	87 Å²	87	129.1 Å²	129.1	53%	0.534	66%	0.662	S	S	.	*			trans	-93.3	148.1	176.3	55.5	0	0	0	0	109.6	G153 Q154 S155	T151-G153 PolarHBondContact O-N 2.9Å; T151-Q154 WeakPolarHBondContact O-CB 3.41Å; T151-Q154 PolarHBondContact O-N 2.96Å; T151-S155 PolarHBondContact O-N 3.22Å
152	V	59	Low	49.8	Very low	114 Å²	114	126 Å²	126	69%	0.691	66%	0.658	S	S	*	*	H	α-helix	trans	-52.3	-33.9	-177.2	-178.4	0	0	0	0	112.5	Q154 S155 L156	V152-Q154 VanDerWaalsContact C-N 3.34Å; V152-Q154 PolarHBondContact O-N 3.37Å; V152-S155 PolarHBondContact O-N 3.22Å; V152-L156 HydrophobicContact CG1-CD1 4.02Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CG 3.49Å; V152-L156 PolarHBondContact O-N 3.37Å
153	G	53	Low	49.6	Very low	38 Å²	38	121.4 Å²	121.4	39%	0.392	66%	0.658	S	S	.	*	H	α-helix	trans	-65.3	-29.1	175.1	0	0	0	0	0	114.8	T151 L157	T151-G153 PolarHBondContact O-N 2.9Å; G153-L157 WeakPolarHBondContact O-CB 3.38Å; G153-L157 WeakPolarHBondContact O-CD1 3.43Å; G153-L157 VanDerWaalsContact O-CG 3.24Å; G153-L157 WeakPolarHBondContact O-CG 3.22Å; G153-L157 PolarHBondContact O-N 2.8Å; G153-L157 VanDerWaalsContact O-N 3.13Å
154	Q	57.9	Low	49.4	Very low	105 Å²	105	119 Å²	119	49%	0.491	65%	0.654	S	S	.	*	H	α-helix	trans	-72.7	-43.4	173.6	-66.6	-170.9	-83.7	0	0	111.3	T151 V152 L156 L157 Q158	T151-Q154 WeakPolarHBondContact O-CB 3.41Å; T151-Q154 PolarHBondContact O-N 2.96Å; V152-Q154 VanDerWaalsContact C-N 3.34Å; V152-Q154 PolarHBondContact O-N 3.37Å; Q154-L156 VanDerWaalsContact C-N 3.35Å; Q154-L156 PolarHBondContact O-N 2.9Å; Q154-L157 PolarHBondContact O-N 3.3Å; Q154-Q158 WeakPolarHBondContact O-CB 3.46Å; Q154-Q158 PolarHBondContact O-N 2.67Å
155	S	51.4	Low	49.3	Very low	59 Å²	59	119.7 Å²	119.7	41%	0.413	65%	0.65	S	S	.	*	H	α-helix	trans	-60.8	-43.6	176.1	-49	0	0	0	0	111.7	T151 V152 Q158 Q159	T151-S155 PolarHBondContact O-N 3.22Å; V152-S155 PolarHBondContact O-N 3.22Å; S155-Q158 PolarHBondContact O-N 3.17Å; S155-Q159 WeakPolarHBondContact O-CB 3.17Å; S155-Q159 PolarHBondContact O-N 2.79Å
156	L	53.7	Low	48.6	Very low	98 Å²	98	126.5 Å²	126.5	51%	0.513	66%	0.656	S	S	.	*	H	α-helix	trans	-63	-48.3	176.9	-74.4	167.9	0	0	0	112.5	V152 Q154 Q158 Q159 T160	V152-L156 HydrophobicContact CG1-CD1 4.02Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CG 3.49Å; V152-L156 PolarHBondContact O-N 3.37Å; Q154-L156 VanDerWaalsContact C-N 3.35Å; Q154-L156 PolarHBondContact O-N 2.9Å; L156-Q158 VanDerWaalsContact C-N 3.3Å; L156-Q158 PolarHBondContact O-N 3.05Å; L156-Q159 PolarHBondContact O-N 3.02Å; L156-T160 PolarHBondContact O-N 2.88Å; L156-T160 PolarHBondContact O-OG1 3.44Å
157	L	50.4	Low	47.9	Very low	115 Å²	115	127.8 Å²	127.8	60%	0.602	66%	0.656	S	S	*	*	H	α-helix	trans	-61.4	-38.4	177.7	-75.5	169	0	0	0	112.3	G153 Q154 T160 Q161	G153-L157 WeakPolarHBondContact O-CB 3.38Å; G153-L157 WeakPolarHBondContact O-CD1 3.43Å; G153-L157 VanDerWaalsContact O-CG 3.24Å; G153-L157 WeakPolarHBondContact O-CG 3.22Å; G153-L157 PolarHBondContact O-N 2.8Å; G153-L157 VanDerWaalsContact O-N 3.13Å; Q154-L157 PolarHBondContact O-N 3.3Å; L157-T160 PolarHBondContact O-N 3.49Å; L157-Q161 WeakPolarHBondContact O-CG 3.44Å; L157-Q161 PolarHBondContact O-N 2.78Å
158	Q	49.7	Very low	46.9	Very low	106 Å²	106	123.9 Å²	123.9	50%	0.495	65%	0.651	S	S	.	*	H	α-helix	trans	-70.9	-33.9	177.5	-166.5	169.1	32.5	0	0	111.9	Q154 S155 L156 Q161 M162	Q154-Q158 WeakPolarHBondContact O-CB 3.46Å; Q154-Q158 PolarHBondContact O-N 2.67Å; S155-Q158 PolarHBondContact O-N 3.17Å; L156-Q158 VanDerWaalsContact C-N 3.3Å; L156-Q158 PolarHBondContact O-N 3.05Å; Q158-Q161 PolarHBondContact O-N 3.49Å; Q158-M162 HydrophobicContact CG-CE 3.95Å
159	Q	48.3	Very low	46.4	Very low	147 Å²	147	125.3 Å²	125.3	69%	0.687	65%	0.651	S	S	*	*	H	α-helix	trans	-67.5	-34.6	174.3	-168	172.3	18.9	0	0	112.4	S155 L156	S155-Q159 WeakPolarHBondContact O-CB 3.17Å; S155-Q159 PolarHBondContact O-N 2.79Å; L156-Q159 PolarHBondContact O-N 3.02Å
160	T	45.3	Very low	45.3	Very low	94 Å²	94	123.2 Å²	123.2	58%	0.577	65%	0.649	S	S	*	*	H	α-helix	trans	-66.9	-40	173.6	-38.6	0	0	0	0	112	L156 L157 M162 A163	L156-T160 PolarHBondContact O-N 2.88Å; L156-T160 PolarHBondContact O-OG1 3.44Å; L157-T160 PolarHBondContact O-N 3.49Å; T160-M162 PolarHBondContact O-N 3.03Å; T160-A163 PolarHBondContact O-N 2.95Å
161	Q	45.2	Very low	44.4	Very low	145 Å²	145	123.4 Å²	123.4	68%	0.678	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-10.6	-174.5	-74.1	178.6	1.4	0	0	115.2	L157 Q158	L157-Q161 WeakPolarHBondContact O-CG 3.44Å; L157-Q161 PolarHBondContact O-N 2.78Å; Q158-Q161 PolarHBondContact O-N 3.49Å
162	M	43.7	Very low	42.7	Very low	145 Å²	145	126.8 Å²	126.8	71%	0.714	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-0.9	178.2	-56.5	-157.7	-168.4	0	0	114.1	Q158 T160	Q158-M162 HydrophobicContact CG-CE 3.95Å; T160-M162 PolarHBondContact O-N 3.03Å
163	A	42.2	Very low	41.2	Very low	79 Å²	79	128.6 Å²	128.6	65%	0.653	67%	0.667	S	S	*	*	S	Bend	trans	-80.5	-29.7	-177.6	0	0	0	0	0	114.1	T160	T160-A163 PolarHBondContact O-N 2.95Å
164	D	42.6	Very low	39.9	Very low	145 Å²	145	136.1 Å²	136.1	78%	0.775	69%	0.692	S	S	*	*	S	Bend	trans	-95.1	6.9	-164.3	-66.4	-38.4	0	0	0	115.4
165	I	41.5	Very low	38.4	Very low	140 Å²	140	138.1 Å²	138.1	72%	0.718	70%	0.701	S	S	*	*	S	Bend	trans	-133.2	56.8	-172	-41.4	175.2	0	0	0	113.9
166	W	31.7	Very low	37.1	Very low	236 Å²	236	143.4 Å²	143.4	89%	0.894	72%	0.719	S	S	*	*			trans	-172.1	129.4	134.7	-134.9	-55.8	0	0	0	113.9
167	P	32.5	Very low	35.8	Very low	127 Å²	127	145.7 Å²	145.7	83%	0.825	73%	0.725	S	S	*	*			trans	-98.1	108.9	160.3	33.1	-27.9	0	0	0	111.8
168	G	30.5	Very low	34.5	Very low	71 Å²	71	147.9 Å²	147.9	73%	0.732	73%	0.732	S	S	*	*			trans	-173.2	127.5	177	0	0	0	0	0	115.2
169	R	33.2	Very low	33.3	Very low	221 Å²	221	148.6 Å²	148.6	83%	0.834	75%	0.749	S	S	*	*			trans	-75.4	160.4	177.2	-74.7	-176.9	171.3	-163.8	-2.7	111.3
170	K	29.5	Very low	32.2	Very low	193 Å²	193	146.6 Å²	146.6	84%	0.839	75%	0.751	S	S	*	*			cis	-152.9	129.9	42.2	-61.8	168.9	-177.7	174.7	0	115.3
171	I	28.6	Very low	31.2	Very low	126 Å²	126	148.4 Å²	148.4	65%	0.646	76%	0.762	S	S	*	*				29	121.7	121.6	-52.8	162.2	0	0	0	118.9
172	I	27.2	Very low	30.1	Very low	158 Å²	158	147.8 Å²	147.8	81%	0.81	76%	0.762	S	S	*	*				-168.2	95.8	124	-92.4	153.7	0	0	0	105
173	Q	26.8	Very low	29.2	Very low	152 Å²	152	149.4 Å²	149.4	71%	0.71	77%	0.766	S	S	*	*				87.5	83.4	94.4	-169.4	179.1	-6.9	0	0	113.3
174	E	25.9	Very low	28.2	Very low	197 Å²	197	153.7 Å²	153.7	92%	0.921	77%	0.772	S	S	*	*			trans	-81.3	148.4	155.5	-69.4	-179.7	119.2	0	0	110
175	Q	26.7	Very low	27.7	Very low	147 Å²	147	152.3 Å²	152.3	69%	0.687	77%	0.769	S	S	*	*			trans	-137.5	120.4	166.3	-113	-170.7	-11.9	0	0	109.6
176	Q	25.3	Very low	27	Very low	170 Å²	170	151.8 Å²	151.8	79%	0.794	77%	0.774	S	S	*	*			trans	65.2	150.1	149.4	-66.6	-173.2	1.3	0	0	117.9
177	K	25	Very low	26.6	Very low	146 Å²	146	149.7 Å²	149.7	64%	0.635	77%	0.772	S	S	*	*			cis	-175.7	143.5	-12.5	163.9	-179.7	172.1	-171.5	0	107.4
178	E	23.5	Very low	26.2	Very low	161 Å²	161	151 Å²	151	75%	0.752	77%	0.771	S	S	*	*			trans	56	138.5	162.5	-74.5	159.7	-159.1	0	0	121.1
179	S	25.2	Very low	25.9	Very low	120 Å²	120	157.1 Å²	157.1	84%	0.839	78%	0.777	S	S	*	*			trans	-92.7	132	165.9	54.3	0	0	0	0	111.3
180	S	23.5	Very low	25.4	Very low	105 Å²	105	152.1 Å²	152.1	73%	0.734	78%	0.776	S	S	*	*			trans	-144.4	97.1	170.2	47	0	0	0	0	113.9
181	V	25.6	Very low	25.2	Very low	133 Å²	133	145.9 Å²	145.9	81%	0.806	77%	0.767	S	S	*	*			trans	40.1	151.2	138.9	-121.7	0	0	0	0	123.9
182	L	22.4	Very low	25.2	Very low	132 Å²	132	150 Å²	150	69%	0.691	78%	0.78	S	S	*	*			trans	84.7	121.3	151.4	-97.7	115.4	0	0	0	121.2
183	F	23.6	Very low	25.1	Very low	179 Å²	179	147.5 Å²	147.5	79%	0.785	78%	0.776	S	S	*	*			trans	50.9	161.7	134.8	-70.8	-126.7	0	0	0	118.8
184	E	22.4	Very low	25.2	Very low	169 Å²	169	144.3 Å²	144.3	79%	0.79	78%	0.776	S	S	*	*			cis	-149.3	-160.1	8.7	-148.5	171.2	-166.4	0	0	112.7
185	V	31.8	Very low	25.3	Very low	115 Å²	115	141.9 Å²	141.9	70%	0.697	77%	0.769	S	S	*	*			trans	-84.9	143	-172.9	171.3	0	0	0	0	113.3
186	P	27	Very low	25.2	Very low	129 Å²	129	143.5 Å²	143.5	84%	0.838	78%	0.776	S	S	*	*			trans	-93.8	139.1	155.6	-8.6	27.6	0	0	0	112.5
187	K	23.4	Very low	25.4	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	78%	0.78	S	S	*	*			trans	-128.1	130.8	-174.5	-145.3	-176.4	-173.6	176.3	0	112.1
188	L	24.3	Very low	25.4	Very low	154 Å²	154	142.7 Å²	142.7	81%	0.806	79%	0.793	S	S	*	*			trans	58	125.6	144.5	-162.8	81	0	0	0	121.6
189	K	23.2	Very low	25.6	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.865	79%	0.793	S	S	*	*				-165.8	119.5	129.9	-103.4	156.6	-174	178.1	0	108.6
190	S	23.4	Very low	25.5	Very low	117 Å²	117	143.1 Å²	143.1	82%	0.818	79%	0.794	S	S	*	*				80.1	122.4	91.2	-177.4	0	0	0	0	113.3
191	G	24.8	Very low	25.6	Very low	62 Å²	62	143.2 Å²	143.2	64%	0.639	80%	0.795	S	S	*	*			cis	160.7	171	-3.5	0	0	0	0	0	112.4
192	K	27.6	Very low	25.6	Very low	212 Å²	212	143.6 Å²	143.6	92%	0.922	79%	0.791	S	S	*	*			trans	70.2	150.4	178.5	-64	-177.7	179.6	-177.6	0	115.6
193	S	26.5	Very low	25.7	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	79%	0.791	S	S	*	*			cis	-169.1	157	-11.7	44.9	0	0	0	0	113.6
194	A	27.3	Very low	25.9	Very low	85 Å²	85	139 Å²	139	70%	0.702	78%	0.782	S	S	*	*			trans	74.2	120.1	141.3	0	0	0	0	0	123.4
195	L	28.8	Very low	26.1	Very low	146 Å²	146	140.9 Å²	140.9	76%	0.764	78%	0.783	S	S	*	*				71	116.9	128.5	-58.7	173.9	0	0	0	123.3
196	E	24.8	Very low	25.9	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	79%	0.787	S	S	*	*				33.4	130.5	119.3	-58	176.8	154.2	0	0	122.3
197	A	28.2	Very low	26.1	Very low	107 Å²	107	138.9 Å²	138.9	88%	0.884	78%	0.777	S	S	*	*			trans	-169.9	160.5	131	0	0	0	0	0	111.8
198	E	25.9	Very low	26.2	Very low	192 Å²	192	136.9 Å²	136.9	90%	0.897	78%	0.776	S	S	*	*			trans	-113.6	155.9	-179.4	-62.3	173.6	102	0	0	113
199	S	27.7	Very low	26.6	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	77%	0.772	S	S	*	*			trans	-173	129.4	151.7	2.9	0	0	0	0	107.8
200	E	23.6	Very low	26.7	Very low	182 Å²	182	131.9 Å²	131.9	85%	0.85	77%	0.767	S	S	*	*				64.5	111.5	60.6	-63.6	-148.5	120.5	0	0	112.1
201	S	24.9	Very low	26.9	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	76%	0.756	S	S	*	*				101.3	141.4	88.3	-175.3	0	0	0	0	110.3
202	L	25.5	Very low	27.1	Very low	141 Å²	141	133 Å²	133	74%	0.738	76%	0.76	S	S	*	*			cis	-169.1	150.2	-12.8	169.1	119.4	0	0	0	109.9
203	D	25	Very low	27.1	Very low	129 Å²	129	127 Å²	127	69%	0.69	75%	0.745	S	S	*	*			trans	56.8	143.7	156	-76.9	-12.6	0	0	0	126
204	S	26.8	Very low	27.1	Very low	84 Å²	84	131.2 Å²	131.2	59%	0.587	75%	0.745	S	S	*	*			trans	74.5	152.1	142.4	68.8	0	0	0	0	119.4
205	Y	27.5	Very low	27.2	Very low	209 Å²	209	136.1 Å²	136.1	82%	0.82	75%	0.745	S	S	*	*			cis	-142.2	171.3	23.5	-91.1	-78	0	0	0	116.1
206	T	28.6	Very low	27.1	Very low	127 Å²	127	135.8 Å²	135.8	78%	0.779	74%	0.744	S	S	*	*			trans	-30.5	166.6	158.6	36.3	0	0	0	0	119.5
207	A	29.3	Very low	27.2	Very low	75 Å²	75	132.2 Å²	132.2	62%	0.62	74%	0.739	S	S	*	*			cis	-167.4	177.3	-1.1	0	0	0	0	0	111.6
208	D	27.1	Very low	27.3	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	74%	0.735	S	S	*	*			trans	27.3	151.3	146.3	-46.6	-26.3	0	0	0	121.7
209	S	31.8	Very low	27.5	Very low	106 Å²	106	131 Å²	131	74%	0.741	72%	0.724	S	S	*	*			cis	-135.8	-149.8	18.3	-56.2	0	0	0	0	110.6
210	D	26.2	Very low	27.5	Very low	142 Å²	142	133.8 Å²	133.8	76%	0.759	72%	0.722	S	S	*	*			cis	-155.9	-147	3.9	-154.2	-96.8	0	0	0	112.6
211	S	27.7	Very low	27.6	Very low	84 Å²	84	130.4 Å²	130.4	59%	0.587	72%	0.719	S	S	*	*			trans	-107.2	-177.7	-174.7	69.4	0	0	0	0	111.5
212	T	28.7	Very low	27.6	Very low	118 Å²	118	128.8 Å²	128.8	72%	0.724	72%	0.718	S	S	*	*			cis	-156.1	152.9	22.1	3	0	0	0	0	112.4
213	S	26.6	Very low	27.6	Very low	86 Å²	86	130.5 Å²	130.5	60%	0.601	73%	0.727	S	S	*	*				39.5	143.4	124.9	113	0	0	0	0	121.5
214	R	27.6	Very low	27.7	Very low	194 Å²	194	133.4 Å²	133.4	73%	0.732	73%	0.734	S	S	*	*			cis	-173	150.3	36.1	-108.8	158.7	-162.8	-154.2	5.6	112.4
215	R	28.6	Very low	28.1	Very low	187 Å²	187	135.4 Å²	135.4	71%	0.706	75%	0.745	S	S	*	*			trans	60.8	126.4	138.3	-61.7	-175.7	-158.6	-143.4	1.4	120.8
216	D	26.8	Very low	28	Very low	139 Å²	139	133.8 Å²	133.8	74%	0.743	75%	0.745	S	S	*	*				79.2	146.6	92	-51.5	-31.6	0	0	0	113.5
217	S	27.8	Very low	27.8	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	75%	0.75	S	S	*	*			cis	-155.9	-169.1	12.1	-148.9	0	0	0	0	114.8
218	L	30.7	Very low	27.6	Very low	150 Å²	150	143.7 Å²	143.7	79%	0.785	76%	0.757	S	S	*	*			trans	-57.3	177.2	178.4	-52	151.6	0	0	0	114.6
219	D	28.9	Very low	27.6	Very low	125 Å²	125	145.8 Å²	145.8	67%	0.668	76%	0.759	S	S	*	*			cis	-166.5	-178.9	14.7	-149.6	-13.6	0	0	0	114
220	K	27.2	Very low	27.1	Very low	166 Å²	166	149 Å²	149	72%	0.722	76%	0.764	S	S	*	*			trans	75.8	107.9	143.5	-86.4	176.8	-175.9	176	0	125.4
221	S	26.9	Very low	27	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	77%	0.766	S	S	*	*				46	139.1	116.3	70.4	0	0	0	0	124.4
222	G	24.5	Very low	27	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	78%	0.776	S	S	*	*			trans	161.5	93.4	145.4	0	0	0	0	0	121.2
223	L	26	Very low	27	Very low	178 Å²	178	148.9 Å²	148.9	93%	0.932	78%	0.783	S	S	*	*			trans	57.6	156.1	140.5	-79.6	152.5	0	0	0	124.7
224	F	26.7	Very low	26.9	Very low	190 Å²	190	154.2 Å²	154.2	83%	0.833	80%	0.795	S	S	*	*			trans	-87.6	166.7	172.3	-85.5	-106.1	0	0	0	112.1
225	P	35.3	Very low	26.8	Very low	126 Å²	126	150.2 Å²	150.2	82%	0.818	80%	0.796	S	S	*	*				-145.1	163.7	101.1	37.4	-22.3	0	0	0	116.4
226	E	25.4	Very low	26.6	Very low	175 Å²	175	148.8 Å²	148.8	82%	0.818	80%	0.797	S	S	*	*			trans	-90.1	161	166.1	-69.5	-176.9	73.1	0	0	112.6
227	W	24	Very low	26.6	Very low	232 Å²	232	147.9 Å²	147.9	88%	0.879	80%	0.797	S	S	*	*				-170.3	142.2	124.4	60.3	-65.4	0	0	0	116.7
228	K	25	Very low	26.5	Very low	177 Å²	177	149.1 Å²	149.1	77%	0.77	79%	0.791	S	S	*	*			trans	35.3	121.7	148.9	-64.1	175.8	178.2	172	0	124.3
229	K	26.3	Very low	26.3	Very low	197 Å²	197	149.6 Å²	149.6	86%	0.857	79%	0.786	S	S	*	*				21.5	134	121.6	-58.7	-179.1	178.2	-178	0	121
230	M	22.1	Very low	26	Very low	173 Å²	173	151 Å²	151	85%	0.852	79%	0.789	S	S	*	*				177.3	126.5	111.3	-93.2	172.3	88.2	0	0	109.9
231	S	24.2	Very low	25.9	Very low	114 Å²	114	149.4 Å²	149.4	80%	0.797	79%	0.793	S	S	*	*				85	147	91.8	-59.2	0	0	0	0	115
232	A	28.4	Very low	25.9	Very low	97 Å²	97	152.6 Å²	152.6	80%	0.802	80%	0.795	S	S	*	*			trans	-123	164.6	-167.4	0	0	0	0	0	114.1
233	P	28.4	Very low	26.6	Very low	131 Å²	131	155.1 Å²	155.1	85%	0.851	80%	0.799	S	S	*	*			trans	-104.4	170.9	166.7	37.7	-30.8	0	0	0	114.2
234	K	24.9	Very low	26.4	Very low	198 Å²	198	150.3 Å²	150.3	86%	0.861	79%	0.792	S	S	*	*			trans	-135.4	156.6	178.5	-67.1	-179.9	176.9	-179.2	0	112.3
235	S	24.3	Very low	26.3	Very low	109 Å²	109	146 Å²	146	76%	0.762	79%	0.786	S	S	*	*			trans	-158	130.8	145.1	45.3	0	0	0	0	107.4
236	H	25.7	Very low	25.9	Very low	157 Å²	157	148.1 Å²	148.1	73%	0.727	79%	0.785	S	S	*	*				57.2	132.5	67.3	-81.1	-100.1	0	0	0	112.4
237	V	25.6	Very low	25.9	Very low	120 Å²	120	145.3 Å²	145.3	73%	0.727	78%	0.775	S	S	*	*			cis	-143.8	154.5	37.1	169.3	0	0	0	0	113.7
238	E	26	Very low	26	Very low	132 Å²	132	141.9 Å²	141.9	62%	0.617	77%	0.769	S	S	*	*			trans	-1.4	167.3	152.2	-53.1	163.7	-157.7	0	0	121.4
239	K	25.6	Very low	26.1	Very low	160 Å²	160	142.2 Å²	142.2	70%	0.696	77%	0.773	S	S	*	*			cis	-158.3	-177.1	23.7	-147.7	147.3	-166.4	148.3	0	115.6
240	E	24.4	Very low	26.2	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	77%	0.768	S	S	*	*			trans	-68.5	177.9	-175	-56.4	140.6	106.4	0	0	114.4
241	V	24.9	Very low	26.4	Very low	132 Å²	132	134.5 Å²	134.5	80%	0.8	76%	0.762	S	S	*	*			cis	-165.9	164.8	48.4	171.5	0	0	0	0	111.9
242	Q	27.1	Very low	26.7	Very low	178 Å²	178	136.7 Å²	136.7	83%	0.832	76%	0.762	S	S	*	*			trans	-119.2	162.2	165.4	-78.3	-173.4	-19.3	0	0	110.1
243	P	37.5	Very low	26.8	Very low	126 Å²	126	138 Å²	138	82%	0.818	75%	0.754	S	S	*	*			cis	-157.1	-177.2	39.7	44.1	-21.6	0	0	0	119.9
244	G	23.6	Very low	26.6	Very low	77 Å²	77	140.8 Å²	140.8	79%	0.794	75%	0.753	S	S	*	*			trans	73.9	172.5	154.9	0	0	0	0	0	119.4
245	S	23.9	Very low	26.7	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	75%	0.752	S	S	*	*			cis	-174.3	145.1	-26.9	-175.8	0	0	0	0	110.7
246	Q	26.5	Very low	27	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	76%	0.758	S	S	*	*			trans	62.8	162.4	169.7	-70	166.4	-41.5	0	0	116.7
247	N	25.1	Very low	26.9	Very low	115 Å²	115	145.1 Å²	145.1	62%	0.615	76%	0.763	S	S	*	*			cis	-158.8	174.1	-20.6	-118.9	28.4	0	0	0	109.8
248	E	27.2	Very low	26.9	Very low	161 Å²	161	145.1 Å²	145.1	75%	0.752	76%	0.764	S	S	*	*			trans	65	155.3	151.7	-84.5	140	-124.1	0	0	120.1
249	E	26.8	Very low	26.9	Very low	183 Å²	183	150.5 Å²	150.5	86%	0.855	78%	0.779	S	S	*	*			cis	-158.6	160.5	-15.8	-145.6	-177.8	-170.6	0	0	112.4
250	G	27.1	Very low	26.8	Very low	73 Å²	73	152.2 Å²	152.2	75%	0.753	79%	0.786	S	S	*	*			trans	75.1	166	151.2	0	0	0	0	0	121.3
251	D	27.8	Very low	26.8	Very low	135 Å²	135	151.8 Å²	151.8	72%	0.722	79%	0.787	S	S	*	*			cis	-165.3	177.3	-27.4	-168.6	22.5	0	0	0	110.9
252	M	29	Very low	26.8	Very low	161 Å²	161	153.6 Å²	153.6	79%	0.793	79%	0.791	S	S	*	*			trans	79.2	118	162.6	-48.4	-168.1	79.4	0	0	118.3
253	I	30.6	Very low	26.8	Very low	124 Å²	124	155.9 Å²	155.9	64%	0.636	79%	0.792	S	S	*	*			cis	109.3	105	23.8	-69.4	174.3	0	0	0	113.7
254	F	25.4	Very low	26.2	Very low	189 Å²	189	156 Å²	156	83%	0.829	79%	0.793	S	S	*	*			trans	73.6	164.6	154.2	-76	-132.8	0	0	0	116.7
255	K	27.3	Very low	26.3	Very low	195 Å²	195	157 Å²	157	85%	0.848	79%	0.788	S	S	*	*			cis	-154.5	151.9	27.6	-148.9	157.9	-168	169.1	0	113.7
256	K	30.2	Very low	26.5	Very low	203 Å²	203	160.4 Å²	160.4	88%	0.883	79%	0.793	S	S	*	*			trans	-78.1	157.3	169.5	-64.5	172.8	176.1	173.5	0	111.7
257	N	22.7	Very low	26.5	Very low	157 Å²	157	161.3 Å²	161.3	84%	0.84	79%	0.79	S	S	*	*				-156.1	159.2	125.8	-145.2	-4.3	0	0	0	114.9
258	T	26.8	Very low	26.6	Very low	120 Å²	120	159.9 Å²	159.9	74%	0.736	79%	0.786	S	S	*	*			trans	-102.8	164.2	-179.6	32.4	0	0	0	0	113.3
259	R	25.1	Very low	26.6	Very low	246 Å²	246	159.5 Å²	159.5	93%	0.928	78%	0.782	S	S	*	*			trans	-159.9	154.3	142.1	-110.9	161.9	-168.8	-176.2	1.9	113.4
260	K	24.3	Very low	26.8	Very low	195 Å²	195	155.6 Å²	155.6	85%	0.848	78%	0.775	S	S	*	*			trans	-88.9	-173.9	168.2	-63.4	175.8	179.5	178.1	0	108
261	I	24.1	Very low	26.8	Very low	148 Å²	148	157.8 Å²	157.8	76%	0.759	77%	0.773	S	S	*	*			cis	-160.4	150.5	28.1	-54.2	161.9	0	0	0	108.3
262	L	24.8	Very low	26.9	Very low	169 Å²	169	158.3 Å²	158.3	89%	0.885	78%	0.775	S	S	*	*				174.6	151.5	129.2	-93.3	164.5	0	0	0	114.1
263	R	26.3	Very low	26.7	Very low	226 Å²	226	156.8 Å²	156.8	85%	0.853	77%	0.769	S	S	*	*			trans	-123.7	162.5	166.2	-98.6	-173.6	175	175.2	-2.7	107.4
264	P	26.4	Very low	26.6	Very low	128 Å²	128	157.9 Å²	157.9	83%	0.831	78%	0.776	S	S	*	*				-128.4	172.1	110.5	1	20.7	0	0	0	114.7
265	S	24.4	Very low	26.7	Very low	99 Å²	99	159.4 Å²	159.4	69%	0.692	78%	0.776	S	S	*	*			trans	-93.6	180	161.5	38.1	0	0	0	0	109.6
266	E	28	Very low	27.6	Very low	171 Å²	171	155 Å²	155	80%	0.799	77%	0.767	S	S	*	*				-173.1	171.4	53.8	-67.5	-174.7	141.4	0	0	112.5
267	Y	27.1	Very low	27.5	Very low	189 Å²	189	153.9 Å²	153.9	74%	0.741	77%	0.765	S	S	*	*			trans	54.8	131.4	144.4	-125.4	-125.2	0	0	0	120
268	T	27	Very low	27.7	Very low	85 Å²	85	153.5 Å²	153.5	52%	0.521	76%	0.763	S	S	.	*			cis	-175.8	171.9	-1.8	10.4	0	0	0	0	114.1
269	K	28.2	Very low	27.7	Very low	154 Å²	154	151.9 Å²	151.9	67%	0.67	76%	0.762	S	S	*	*			trans	71	118.1	144.1	-76.3	162.3	-179.3	172.2	0	117.1
270	S	29.5	Very low	27.8	Very low	101 Å²	101	144 Å²	144	71%	0.706	75%	0.75	S	S	*	*				72.2	139.4	64.8	79.5	0	0	0	0	112.8
271	V	27.9	Very low	27.9	Very low	118 Å²	118	143.8 Å²	143.8	72%	0.715	75%	0.752	S	S	*	*			cis	-145.8	133.2	36.2	176	0	0	0	0	107.2
272	I	29.1	Very low	28	Very low	147 Å²	147	143.9 Å²	143.9	75%	0.754	75%	0.754	S	S	*	*				51.8	110.3	96.1	-87.4	166.3	0	0	0	112.8
273	D	26.6	Very low	28.2	Very low	128 Å²	128	140.8 Å²	140.8	68%	0.684	75%	0.746	S	S	*	*				81.8	145.2	96.4	-136	10	0	0	0	111.2
274	L	27.3	Very low	28.2	Very low	147 Å²	147	133.3 Å²	133.3	77%	0.77	74%	0.739	S	S	*	*			cis	-141.9	156.1	24.7	-78.8	151.6	0	0	0	114.3
275	R	28.4	Very low	28.4	Very low	222 Å²	222	134.3 Å²	134.3	84%	0.838	74%	0.736	S	S	*	*			trans	-25.7	176.4	135.9	-93	179.8	-175.9	177.4	1.1	118.6
276	P	46.3	Very low	28.7	Very low	102 Å²	102	138.2 Å²	138.2	66%	0.662	75%	0.746	S	S	*	*			cis	-145.5	-174.1	-17.1	38.4	-17.2	0	0	0	116.6
277	E	28.1	Very low	28.8	Very low	179 Å²	179	134 Å²	134	84%	0.836	75%	0.748	S	S	*	*			trans	63.4	168.4	157.9	-41.3	-142.1	122.8	0	0	116.4
278	D	26.9	Very low	28.9	Very low	149 Å²	149	131.3 Å²	131.3	80%	0.797	75%	0.746	S	S	*	*			cis	-145.3	-164	11.2	-157.1	-12.2	0	0	0	112.1
279	A	26.5	Very low	29.1	Very low	86 Å²	86	138.9 Å²	138.9	71%	0.711	77%	0.765	S	S	*	*			trans	-97.6	-176.3	-155.3	0	0	0	0	0	118
280	A	26.8	Very low	29.2	Very low	82 Å²	82	135 Å²	135	68%	0.678	76%	0.757	S	S	*	*			trans	100.1	129.7	149.2	0	0	0	0	0	120.9
281	Q	26.4	Very low	29.4	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.883	76%	0.763	S	S	*	*			trans	43.9	127.3	134.4	-62.5	174.7	-43.8	0	0	121.2
282	D	26.8	Very low	29.6	Very low	151 Å²	151	138.7 Å²	138.7	81%	0.807	77%	0.765	S	S	*	*				-154.1	-165.9	98.9	-157.1	-2	0	0	0	111.3
283	S	27.3	Very low	29.6	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	77%	0.77	S	S	*	*			trans	-158.7	166.8	-149.9	62.8	0	0	0	0	113.3
284	G	27.9	Very low	30	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	78%	0.775	S	S	*	*			trans	94.6	166.7	172.5	0	0	0	0	0	116
285	I	30	Very low	30.3	Very low	149 Å²	149	134.6 Å²	134.6	76%	0.764	77%	0.774	S	S	*	*			cis	-152.4	137.9	-2.8	-119	160.8	0	0	0	111.3
286	M	30.4	Very low	30.5	Very low	182 Å²	182	131.7 Å²	131.7	90%	0.897	77%	0.774	S	S	*	*			trans	42.1	143.6	154.2	-55.6	-179.1	-172.6	0	0	123.1
287	G	29.1	Very low	29.6	Very low	81 Å²	81	132.5 Å²	132.5	84%	0.835	78%	0.782	S	S	*	*			trans	-177	42.8	171.2	0	0	0	0	0	115.3
288	D	30.5	Very low	30	Very low	133 Å²	133	127 Å²	127	71%	0.711	77%	0.767	S	S	*	*			trans	-71	139.6	-173.1	180	28.1	0	0	0	114.2	S290	D288-S290 PolarHBondContact OD1-N 3.42Å
289	R	29.9	Very low	30.1	Very low	244 Å²	244	124.5 Å²	124.5	92%	0.921	75%	0.753	S	S	*	*			trans	-149	102.7	153.6	-116.3	-178.4	174.2	84.4	0.7	111.8
290	S	31.9	Very low	30.5	Very low	72 Å²	72	126.8 Å²	126.8	50%	0.503	75%	0.751	S	S	.	*			trans	-58.2	148.2	-176.3	-91.4	0	0	0	0	118.8	D288	D288-S290 PolarHBondContact OD1-N 3.42Å
291	K	33.6	Very low	30.9	Very low	191 Å²	191	130.3 Å²	130.3	83%	0.83	75%	0.753	S	S	*	*			trans	72.6	147.6	140.2	-68.2	164.8	-164.5	175.1	0	118.6
292	S	30.6	Very low	31.3	Very low	106 Å²	106	128.3 Å²	128.3	74%	0.741	74%	0.744	S	S	*	*			cis	-171.1	136.4	-7.3	44.6	0	0	0	0	113.1
293	V	29.2	Very low	31.6	Very low	144 Å²	144	127.9 Å²	127.9	87%	0.873	74%	0.737	S	S	*	*			trans	-148.4	133.4	152.7	-174.2	0	0	0	0	108.6
294	P	35.3	Very low	32	Very low	122 Å²	122	129.5 Å²	129.5	79%	0.792	73%	0.734	S	S	*	*			trans	-99	143	172.3	35.5	-30	0	0	0	113
295	G	35.3	Very low	32.6	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	72%	0.719	S	S	*	*			trans	85.4	73.6	155.8	0	0	0	0	0	118.2
296	L	32.3	Very low	32.9	Very low	161 Å²	161	129.1 Å²	129.1	84%	0.843	71%	0.71	S	S	*	*			trans	-149	87.6	153.1	-79.3	-176	0	0	0	108.8
297	S	27.3	Very low	33.4	Very low	118 Å²	118	127 Å²	127	83%	0.825	70%	0.698	S	S	*	*	S	Bend	trans	-161	26.5	179	72.5	0	0	0	0	114.1
298	A	35.9	Very low	34	Very low	64 Å²	64	127.1 Å²	127.1	53%	0.529	68%	0.677	S	S	.	*	S	Bend	trans	-128.2	-41.7	176.5	0	0	0	0	0	111.1	M300 E301	A298-M300 VanDerWaalsContact C-N 3.29Å; A298-M300 PolarHBondContact O-N 3.36Å; A298-E301 PolarHBondContact O-N 3.49Å
299	D	29.6	Very low	34.5	Very low	96 Å²	96	123.2 Å²	123.2	51%	0.513	65%	0.654	S	S	.	*	H	α-helix	trans	-67.9	-28.3	-170.8	-35.8	-88.3	0	0	0	112.6	E301 E302 E303	D299-E301 PolarHBondContact O-N 3.45Å; D299-E302 PolarHBondContact O-N 3.07Å; D299-E303 PolarHBondContact O-N 2.85Å
300	M	34.7	Very low	35.3	Very low	135 Å²	135	115.3 Å²	115.3	67%	0.665	63%	0.63	S	S	*	*	H	α-helix	trans	-75.3	-21.3	-175.8	-150.9	-179	82	0	0	113.9	A298	A298-M300 VanDerWaalsContact C-N 3.29Å; A298-M300 PolarHBondContact O-N 3.36Å
301	E	35.7	Very low	35.8	Very low	155 Å²	155	116.2 Å²	116.2	72%	0.724	63%	0.628	S	S	*	*	H	α-helix	trans	-81.9	-31.9	173.3	-65.4	-166.5	163.5	0	0	111.5	A298 D299 E305	A298-E301 PolarHBondContact O-N 3.49Å; D299-E301 PolarHBondContact O-N 3.45Å; E301-E305 VanDerWaalsContact O-CG 3.26Å; E301-E305 WeakPolarHBondContact O-CG 3.49Å; E301-E305 PolarHBondContact O-N 3.27Å
302	E	34.1	Very low	36.3	Very low	148 Å²	148	109.6 Å²	109.6	69%	0.692	60%	0.602	S	S	*	*	H	α-helix	trans	-71.9	-38.1	176.5	-61.9	-165.1	163.1	0	0	112	D299 E305 E306	D299-E302 PolarHBondContact O-N 3.07Å; E302-E305 PolarHBondContact O-N 3.15Å; E302-E306 PolarHBondContact O-N 3.06Å; E302-E306 VanDerWaalsContact O-N 3.09Å
303	E	32.2	Very low	36.8	Very low	142 Å²	142	110.1 Å²	110.1	66%	0.664	59%	0.593	S	S	*	*	H	α-helix	trans	-65.3	-40.7	175.1	-72	-170.7	159.5	0	0	113	D299 E305 E306 E307	D299-E303 PolarHBondContact O-N 2.85Å; E303-E305 VanDerWaalsContact C-N 3.34Å; E303-E305 PolarHBondContact O-N 2.81Å; E303-E306 PolarHBondContact O-N 3.45Å; E303-E307 PolarHBondContact O-N 3.38Å
304	E	35.6	Very low	37.5	Very low	137 Å²	137	107 Å²	107	64%	0.64	57%	0.571	S	S	*	*	H	α-helix	trans	-65.7	-34.1	175.2	-76.3	-164.6	-179.9	0	0	112.4	E308	E304-E308 PolarHBondContact O-N 2.95Å
305	E	41.1	Very low	37.9	Very low	86 Å²	86	104 Å²	104	40%	0.402	55%	0.55	S	S	.	*	H	α-helix	trans	-70	-40.2	176	-68.2	-111.5	134.1	0	0	112.6	E301 E302 E303 E308 E309 K564	E301-E305 VanDerWaalsContact O-CG 3.26Å; E301-E305 WeakPolarHBondContact O-CG 3.49Å; E301-E305 PolarHBondContact O-N 3.27Å; E302-E305 PolarHBondContact O-N 3.15Å; E303-E305 VanDerWaalsContact C-N 3.34Å; E303-E305 PolarHBondContact O-N 2.81Å; E305-E308 PolarHBondContact O-N 3.27Å; E305-E309 WeakPolarHBondContact O-CG 3.5Å; E305-E309 PolarHBondContact O-N 2.86Å; E305-K564 IonicContact OE1-NZ 2.83Å; E305-K564 PolarHBondContact OE1-NZ 2.87Å; E305-K564 WeakPolarHBondContact OE2-CE 3.3Å; E305-K564 IonicContact OE2-NZ 2.74Å; E305-K564 PolarHBondContact OE2-NZ 3.06Å
306	E	37.7	Very low	38.2	Very low	123 Å²	123	106.7 Å²	106.7	58%	0.575	54%	0.542	S	S	*	.	H	α-helix	trans	-65.9	-38.2	177.1	-77.4	-119.6	111.9	0	0	112.4	E302 E303 E309 K559	E302-E306 PolarHBondContact O-N 3.06Å; E302-E306 VanDerWaalsContact O-N 3.09Å; E303-E306 PolarHBondContact O-N 3.45Å; E306-E309 PolarHBondContact O-N 3.17Å; E306-K559 IonicContact OE1-NZ 2.75Å; E306-K559 PolarHBondContact OE1-NZ 3.45Å
307	E	39.8	Very low	38.4	Very low	137 Å²	137	102.1 Å²	102.1	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-36.9	175.5	-76.9	-145.3	158	0	0	112.8	E303	E303-E307 PolarHBondContact O-N 3.38Å
308	E	42.5	Very low	38.9	Very low	84 Å²	84	102.4 Å²	102.4	39%	0.393	51%	0.506	S	S	.	.	H	α-helix	trans	-70.7	-33.2	179.5	-71.8	-156.1	156.1	0	0	113.3	E304 E305 D310 I311 D312 R602	E304-E308 PolarHBondContact O-N 2.95Å; E305-E308 PolarHBondContact O-N 3.27Å; E308-D310 VanDerWaalsContact C-N 3.32Å; E308-D310 PolarHBondContact O-N 3.23Å; E308-I311 WeakPolarHBondContact O-CB 3.45Å; E308-I311 PolarHBondContact O-N 2.86Å; E308-D312 PolarHBondContact O-N 3.47Å; E308-R602 IonicContact OE1-CZ 3.32Å; E308-R602 IonicContact OE1-NH2 3.99Å; E308-R602 PolarHBondContact OE1-NH2 3.41Å; E308-R602 IonicContact OE2-CZ 3.15Å; E308-R602 IonicContact OE2-NE 2.74Å; E308-R602 PolarHBondContact OE2-NE 2.97Å; E308-R602 IonicContact OE2-NH2 2.68Å; E308-R602 PolarHBondContact OE2-NH2 3.35Å
309	E	40.3	Very low	39.1	Very low	51 Å²	51	107 Å²	107	24%	0.238	51%	0.509	C	S	.	.	H	α-helix	trans	-67.4	-33.7	-179.7	-62.3	-116.5	125.5	0	0	112.4	E305 E306 I311 D312 H313 K562	E305-E309 WeakPolarHBondContact O-CG 3.5Å; E305-E309 PolarHBondContact O-N 2.86Å; E306-E309 PolarHBondContact O-N 3.17Å; E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 3.33Å; E309-D312 PolarHBondContact O-N 3.17Å; E309-H313 PolarHBondContact O-N 3.08Å; E309-H313 VanDerWaalsContact O-N 3.14Å; E309-K562 IonicContact OE1-NZ 3.59Å; E309-K562 PolarHBondContact OE1-NZ 3.28Å; E309-K562 IonicContact OE2-NZ 3.22Å; E309-K562 PolarHBondContact OE2-NZ 2.8Å
310	D	46.4	Very low	39.4	Very low	79 Å²	79	108 Å²	108	42%	0.422	51%	0.511	S	S	.	.	H	α-helix	trans	-69.2	-26.1	176.6	-129.6	43.6	0	0	0	111.5	E308 L314	E308-D310 VanDerWaalsContact C-N 3.32Å; E308-D310 PolarHBondContact O-N 3.23Å; D310-L314 VanDerWaalsContact O-CB 3.3Å; D310-L314 WeakPolarHBondContact O-CB 3.37Å; D310-L314 WeakPolarHBondContact O-CD1 3.28Å; D310-L314 WeakPolarHBondContact O-CG 3.37Å; D310-L314 PolarHBondContact O-N 2.9Å
311	I	41.8	Very low	39.6	Very low	90 Å²	90	106.3 Å²	106.3	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-67.8	-49.4	173.2	-59	172.6	0	0	0	110.8	E308 E309 H313 L314 V315	E308-I311 WeakPolarHBondContact O-CB 3.45Å; E308-I311 PolarHBondContact O-N 2.86Å; E309-I311 VanDerWaalsContact C-N 3.27Å; E309-I311 PolarHBondContact O-N 3.33Å; I311-H313 PolarHBondContact O-N 2.83Å; I311-L314 PolarHBondContact O-N 2.81Å; I311-V315 HydrophobicContact CG2-CG2 4.44Å; I311-V315 WeakPolarHBondContact O-CG2 2.77Å; I311-V315 PolarHBondContact O-N 2.81Å
312	D	44.2	Very low	39.7	Very low	53 Å²	53	104.2 Å²	104.2	28%	0.283	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-38.8	177.3	-117.9	-7.1	0	0	0	110.3	E308 E309 V315 K316 N608	E308-D312 PolarHBondContact O-N 3.47Å; E309-D312 PolarHBondContact O-N 3.17Å; D312-V315 PolarHBondContact O-N 3.35Å; D312-K316 WeakPolarHBondContact O-CB 2.99Å; D312-K316 PolarHBondContact O-N 2.93Å; D312-N608 PolarHBondContact OD2-ND2 3.21Å
313	H	41.8	Very low	39.8	Very low	116 Å²	116	101.2 Å²	101.2	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-68.6	-41.4	176	-154.6	-112.9	0	0	0	112.9	E309 I311 K316 L317	E309-H313 PolarHBondContact O-N 3.08Å; E309-H313 VanDerWaalsContact O-N 3.14Å; I311-H313 PolarHBondContact O-N 2.83Å; H313-K316 PolarHBondContact O-N 3.24Å; H313-L317 WeakPolarHBondContact O-CB 3.4Å; H313-L317 PolarHBondContact O-N 3.15Å
314	L	43.9	Very low	40	Very low	79 Å²	79	105.6 Å²	105.6	41%	0.414	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-39.9	173.8	-78	165.8	0	0	0	112.4	D310 I311 L317 H318	D310-L314 VanDerWaalsContact O-CB 3.3Å; D310-L314 WeakPolarHBondContact O-CB 3.37Å; D310-L314 WeakPolarHBondContact O-CD1 3.28Å; D310-L314 WeakPolarHBondContact O-CG 3.37Å; D310-L314 PolarHBondContact O-N 2.9Å; I311-L314 PolarHBondContact O-N 2.81Å; L314-L317 PolarHBondContact O-N 2.96Å; L314-H318 WeakPolarHBondContact O-CB 3.09Å; L314-H318 PolarHBondContact O-N 2.9Å
315	V	43.8	Very low	39.8	Very low	60 Å²	60	101.7 Å²	101.7	36%	0.364	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-43	175.4	169.5	0	0	0	0	110.8	I311 D312 H318 R319	I311-V315 HydrophobicContact CG2-CG2 4.44Å; I311-V315 WeakPolarHBondContact O-CG2 2.77Å; I311-V315 PolarHBondContact O-N 2.81Å; D312-V315 PolarHBondContact O-N 3.35Å; V315-H318 PolarHBondContact O-N 3.03Å; V315-R319 WeakPolarHBondContact O-CB 3.43Å; V315-R319 PolarHBondContact O-N 3.38Å
316	K	40.6	Very low	39.4	Very low	126 Å²	126	102.5 Å²	102.5	55%	0.548	52%	0.516	S	S	.	.	H	α-helix	trans	-60.9	-44.4	174.3	-171.3	174.6	-177.4	177.3	0	111.7	D312 H313 R319 Q320	D312-K316 WeakPolarHBondContact O-CB 2.99Å; D312-K316 PolarHBondContact O-N 2.93Å; H313-K316 PolarHBondContact O-N 3.24Å; K316-R319 PolarHBondContact O-N 3.02Å; K316-Q320 PolarHBondContact O-N 2.85Å
317	L	37.6	Very low	39.5	Very low	66 Å²	66	104.9 Å²	104.9	35%	0.346	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.2	-150.7	82.8	0	0	0	111.7	H313 L314 Q320 K321	H313-L317 WeakPolarHBondContact O-CB 3.4Å; H313-L317 PolarHBondContact O-N 3.15Å; L314-L317 PolarHBondContact O-N 2.96Å; L317-Q320 PolarHBondContact O-N 3.16Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 3.48Å
318	H	38.3	Very low	39.3	Very low	124 Å²	124	107.3 Å²	107.3	57%	0.574	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-43.1	176.4	-170.6	64.9	0	0	0	111.8	L314 V315 Q320 K321 L322	L314-H318 WeakPolarHBondContact O-CB 3.09Å; L314-H318 PolarHBondContact O-N 2.9Å; V315-H318 PolarHBondContact O-N 3.03Å; H318-Q320 PolarHBondContact O-N 3.18Å; H318-K321 PolarHBondContact O-N 3.1Å; H318-K321 VanDerWaalsContact O-N 3.17Å; H318-L322 WeakPolarHBondContact O-CG 3.48Å; H318-L322 PolarHBondContact O-N 3.42Å
319	R	39.3	Very low	38.7	Very low	160 Å²	160	108.5 Å²	108.5	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-59.8	-44.9	175.8	-158.9	-178.4	-63.6	-167.8	2.4	111.4	V315 K316 K321 A323	V315-R319 WeakPolarHBondContact O-CB 3.43Å; V315-R319 PolarHBondContact O-N 3.38Å; K316-R319 PolarHBondContact O-N 3.02Å; R319-K321 PolarHBondContact O-N 3.38Å; R319-A323 PolarHBondContact O-N 2.76Å
320	Q	36.4	Very low	38.8	Very low	118 Å²	118	110.4 Å²	110.4	55%	0.551	59%	0.591	S	S	*	*	H	α-helix	trans	-66.3	-33.3	174.5	-72.8	-178.4	-21	0	0	113.4	K316 L317 H318 A323	K316-Q320 PolarHBondContact O-N 2.85Å; L317-Q320 PolarHBondContact O-N 3.16Å; H318-Q320 PolarHBondContact O-N 3.18Å; Q320-A323 PolarHBondContact O-N 3.24Å
321	K	38.2	Very low	38	Very low	98 Å²	98	111.6 Å²	111.6	43%	0.426	61%	0.606	S	S	.	*	H	α-helix	trans	-77	-35	-178.7	-145.2	157.1	-162.4	169.5	0	112.7	G54 S55 L317 H318 R319 A323 R324 G325	G54-K321 WeakPolarHBondContact O-CE 3.31Å; G54-K321 PolarHBondContact O-NZ 3.4Å; S55-K321 PolarHBondContact OG-NZ 3.14Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 3.48Å; H318-K321 PolarHBondContact O-N 3.1Å; H318-K321 VanDerWaalsContact O-N 3.17Å; R319-K321 PolarHBondContact O-N 3.38Å; K321-A323 VanDerWaalsContact C-N 3.29Å; K321-A323 PolarHBondContact O-N 2.8Å; K321-R324 PolarHBondContact O-N 2.84Å; K321-R324 VanDerWaalsContact O-N 3.15Å; K321-G325 PolarHBondContact O-N 2.89Å
322	L	39.1	Very low	37.6	Very low	112 Å²	112	110.3 Å²	110.3	59%	0.586	61%	0.605	S	S	*	*	H	α-helix	trans	-59.2	-39.9	169.6	-74.3	166.2	0	0	0	111.7	H318 R324 G325	H318-L322 WeakPolarHBondContact O-CG 3.48Å; H318-L322 PolarHBondContact O-N 3.42Å; L322-R324 PolarHBondContact O-N 2.9Å; L322-G325 PolarHBondContact O-N 2.82Å
323	A	35.2	Very low	37.2	Very low	85 Å²	85	113.7 Å²	113.7	70%	0.702	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-19.5	176.4	0	0	0	0	0	114.4	R319 Q320 K321	R319-A323 PolarHBondContact O-N 2.76Å; Q320-A323 PolarHBondContact O-N 3.24Å; K321-A323 VanDerWaalsContact C-N 3.29Å; K321-A323 PolarHBondContact O-N 2.8Å
324	R	35.5	Very low	37	Very low	233 Å²	233	111 Å²	111	88%	0.879	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-8.1	179.6	-70.5	-174	172.2	-169.4	-1.8	114.7	K321 L322	K321-R324 PolarHBondContact O-N 2.84Å; K321-R324 VanDerWaalsContact O-N 3.15Å; L322-R324 PolarHBondContact O-N 2.9Å
325	G	31.8	Very low	36.7	Very low	56 Å²	56	109.8 Å²	109.8	58%	0.577	61%	0.611	S	S	*	*			trans	-101.4	6.9	-172.4	0	0	0	0	0	116.4	K321 L322 M327	K321-G325 PolarHBondContact O-N 2.89Å; L322-G325 PolarHBondContact O-N 2.82Å; G325-M327 VanDerWaalsContact C-N 3.25Å; G325-M327 PolarHBondContact O-N 3.46Å
326	S	33.8	Very low	36.5	Very low	103 Å²	103	111.8 Å²	111.8	72%	0.72	62%	0.618	S	S	*	*			trans	-83.1	47.5	-165.4	-158.6	0	0	0	0	115.4
327	M	38.3	Very low	36.3	Very low	172 Å²	172	108.9 Å²	108.9	85%	0.847	62%	0.624	S	S	*	*	S	Bend	trans	-139.7	144.2	163.8	-71.6	-63.1	157.8	0	0	109.5	G325	G325-M327 VanDerWaalsContact C-N 3.25Å; G325-M327 PolarHBondContact O-N 3.46Å
328	Q	35.9	Very low	36.2	Very low	188 Å²	188	110.7 Å²	110.7	88%	0.879	64%	0.643	S	S	*	*	S	Bend	trans	63.5	69.5	176.6	-59.6	179.9	-19.7	0	0	117.4
329	S	30.2	Very low	36	Very low	110 Å²	110	110.9 Å²	110.9	77%	0.769	65%	0.645	S	S	*	*				-171.2	133	125.3	-84.4	0	0	0	0	111.3
330	G	42	Very low	36	Very low	90 Å²	90	105.5 Å²	105.5	93%	0.928	63%	0.627	S	S	*	*			trans	-87.5	119.9	180	0	0	0	0	0	112.8
331	S	30.5	Very low	36	Very low	104 Å²	104	102.8 Å²	102.8	73%	0.727	62%	0.621	S	S	*	*			trans	-137.5	138.5	162	61.3	0	0	0	0	110.1	M333	S331-M333 PolarHBondContact O-N 3.11Å
332	S	32.6	Very low	35.6	Very low	64 Å²	64	104.5 Å²	104.5	45%	0.448	63%	0.634	S	S	.	*			trans	-75.7	119.7	-162.2	-56.2	0	0	0	0	113.3	Y129 S334	Y129-S332 PolarHBondContact OH-OG 2.63Å; S332-S334 PolarHBondContact O-N 3.49Å
333	M	35.4	Very low	35.5	Very low	124 Å²	124	106.9 Å²	106.9	61%	0.611	64%	0.636	S	S	*	*			trans	-88	22.1	-167.4	-58.9	-179.3	70.2	0	0	115.8	S331 T335	S331-M333 PolarHBondContact O-N 3.11Å; M333-T335 PolarHBondContact O-N 2.94Å
334	S	37.9	Very low	35.6	Very low	58 Å²	58	104.1 Å²	104.1	41%	0.406	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	-9.4	-165.4	39.2	0	0	0	0	116.1	V124 S332	V124-S334 VanDerWaalsContact CG1-C 3.46Å; V124-S334 WeakPolarHBondContact CG1-OG 3.29Å; S332-S334 PolarHBondContact O-N 3.49Å
335	T	38	Very low	35.5	Very low	54 Å²	54	98.4 Å²	98.4	33%	0.331	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	-29.4	-174.7	-25.6	0	0	0	0	114	V124 M333 G337	V124-T335 HydrophobicContact CB-CG2 4.36Å; V124-T335 HydrophobicContact CG1-CG2 4.43Å; V124-T335 HydrophobicContact CG2-CG2 3.99Å; M333-T335 PolarHBondContact O-N 2.94Å; T335-G337 PolarHBondContact O-N 2.88Å
336	I	39.3	Very low	35.6	Very low	102 Å²	102	98.9 Å²	98.9	52%	0.523	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-71.3	-28.2	-168.8	-78.9	173	0	0	0	113.7	S338 M339 M340	I336-S338 PolarHBondContact O-N 2.77Å; I336-M339 PolarHBondContact O-N 2.87Å; I336-M339 VanDerWaalsContact O-N 3.12Å; I336-M340 HydrophobicContact CG2-CE 4.24Å; I336-M340 HydrophobicContact CG2-CG 3.56Å; I336-M340 HydrophobicContact CG2-SD 3.74Å; I336-M340 WeakPolarHBondContact O-CG 3.45Å
337	G	37	Very low	35.8	Very low	65 Å²	65	97.2 Å²	97.2	67%	0.67	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-59.1	-19.6	-166.2	0	0	0	0	0	116.6	T335	T335-G337 PolarHBondContact O-N 2.88Å
338	S	35.9	Very low	35.8	Very low	105 Å²	105	94.7 Å²	94.7	73%	0.734	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-95.8	-9.1	-178.8	-163.4	0	0	0	0	115.2	I336	I336-S338 PolarHBondContact O-N 2.77Å
339	M	34.1	Very low	36.1	Very low	127 Å²	127	89.1 Å²	89.1	63%	0.626	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-14.9	175.8	-70.3	178.2	70.3	0	0	113.3	I336 S341 I342 Y343	I336-M339 PolarHBondContact O-N 2.87Å; I336-M339 VanDerWaalsContact O-N 3.12Å; M339-S341 PolarHBondContact O-N 2.72Å; M339-I342 PolarHBondContact O-N 3.38Å; M339-Y343 HydrophobicContact CE-CE2 4.33Å
340	M	38.3	Very low	36.8	Very low	47 Å²	47	86.3 Å²	86.3	23%	0.232	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.9	-172.8	-60.1	-154.5	79.6	0	0	115.6	I336 I342 S344 R452	I336-M340 HydrophobicContact CG2-CE 4.24Å; I336-M340 HydrophobicContact CG2-CG 3.56Å; I336-M340 HydrophobicContact CG2-SD 3.74Å; I336-M340 WeakPolarHBondContact O-CG 3.45Å; M340-I342 VanDerWaalsContact C-N 3.31Å; M340-I342 PolarHBondContact O-N 3.4Å; M340-S344 PolarHBondContact O-N 3.23Å; M340-S344 PolarHBondContact O-OG 3.4Å; M340-R452 HydrophobicContact CE-CB 4.19Å; M340-R452 HydrophobicContact CE-CG 4.16Å
341	S	36	Very low	37.2	Very low	61 Å²	61	90.4 Å²	90.4	43%	0.427	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.8	-175.4	63.7	0	0	0	0	115.5	M339	M339-S341 PolarHBondContact O-N 2.72Å
342	I	31.3	Very low	38.8	Very low	135 Å²	135	87.9 Å²	87.9	69%	0.692	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-46.4	169.6	-59.9	178.3	0	0	0	108.9	M339 M340 S344	M339-I342 PolarHBondContact O-N 3.38Å; M340-I342 VanDerWaalsContact C-N 3.31Å; M340-I342 PolarHBondContact O-N 3.4Å; I342-S344 PolarHBondContact O-N 2.7Å; I342-S344 VanDerWaalsContact O-N 3.08Å
343	Y	36.2	Very low	40.6	Very low	161 Å²	161	89.4 Å²	89.4	63%	0.631	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	12	179	-58.8	-81.4	0	0	0	115.3	M339 E345	M339-Y343 HydrophobicContact CE-CE2 4.33Å; Y343-E345 PolarHBondContact O-N 3.08Å
344	S	37.8	Very low	42.8	Very low	28 Å²	28	85.2 Å²	85.2	20%	0.196	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	4.4	172.2	-64.7	0	0	0	0	113.3	M340 I342 K481	M340-S344 PolarHBondContact O-N 3.23Å; M340-S344 PolarHBondContact O-OG 3.4Å; I342-S344 PolarHBondContact O-N 2.7Å; I342-S344 VanDerWaalsContact O-N 3.08Å; S344-K481 PolarHBondContact O-NZ 2.94Å
345	E	32.9	Very low	44.8	Very low	112 Å²	112	85.4 Å²	85.4	52%	0.523	51%	0.514	S	S	.	.	S	Bend	trans	-113.2	-14.8	179.1	-156	131	-122.6	0	0	111.9	Y343 G347 K403 K481	Y343-E345 PolarHBondContact O-N 3.08Å; E345-G347 PolarHBondContact O-N 3.21Å; E345-K403 VanDerWaalsContact CD-NZ 3.32Å; E345-K403 IonicContact OE1-NZ 2.65Å; E345-K403 PolarHBondContact OE1-NZ 3.1Å; E345-K403 IonicContact OE2-NZ 2.94Å; E345-K403 PolarHBondContact OE2-NZ 3.14Å; E345-K481 IonicContact OE1-NZ 3.7Å
346	A	34.1	Very low	47.2	Very low	67 Å²	67	83.8 Å²	83.8	55%	0.554	51%	0.508	S	S	*	.	S	Bend	trans	-84	75.3	-176.1	0	0	0	0	0	113.4	D348	A346-D348 VanDerWaalsContact C-N 3.27Å; A346-D348 PolarHBondContact O-N 3.45Å
347	G	38.3	Very low	49.6	Very low	68 Å²	68	82.8 Å²	82.8	70%	0.701	50%	0.5	S	S	*	.	S	Bend	trans	68.2	-20.4	145.7	0	0	0	0	0	120.9	E345 F349	E345-G347 PolarHBondContact O-N 3.21Å; G347-F349 PolarHBondContact O-N 2.88Å
348	D	38.2	Very low	52.3	Low	118 Å²	118	79.7 Å²	79.7	63%	0.631	47%	0.468	S	S	*	.			trans	-108.2	54.8	-166.2	-135	19.8	0	0	0	111.4	A346 G350 R452	A346-D348 VanDerWaalsContact C-N 3.27Å; A346-D348 PolarHBondContact O-N 3.45Å; D348-G350 PolarHBondContact O-N 3.41Å; D348-R452 IonicContact OD2-CZ 3.64Å; D348-R452 IonicContact OD2-NH1 3.09Å; D348-R452 PolarHBondContact OD2-NH1 3.36Å; D348-R452 IonicContact OD2-NH2 3.51Å
349	F	42.5	Very low	55.1	Low	71 Å²	71	76.1 Å²	76.1	31%	0.311	44%	0.44	S	S	.	.			trans	-79.4	104.1	170.2	-47	-63.4	0	0	0	108.4	G347 N351 F455 K481	G347-F349 PolarHBondContact O-N 2.88Å; F349-N351 PolarHBondContact O-N 2.78Å; F349-F455 HydrophobicContact CD1-CB 4.33Å; F349-K481 HydrophobicContact CD1-CD 4.33Å; F349-K481 HydrophobicContact CD2-CB 4.35Å; F349-K481 HydrophobicContact CD2-CD 4.4Å; F349-K481 HydrophobicContact CE1-CD 3.63Å; F349-K481 HydrophobicContact CE2-CB 4.36Å; F349-K481 HydrophobicContact CE2-CD 3.71Å; F349-K481 HydrophobicContact CZ-CD 3.29Å
350	G	43.7	Very low	57.9	Low	52 Å²	52	70 Å²	70	54%	0.536	41%	0.41	S	S	.	.			trans	-57.9	139.1	-179.2	0	0	0	0	0	112.1	D348 I352	D348-G350 PolarHBondContact O-N 3.41Å; G350-I352 PolarHBondContact O-N 2.88Å
351	N	50.5	Low	60.4	Low	175 Å²	175	68.9 Å²	68.9	94%	0.936	41%	0.407	S	S	*	.	S	Bend	trans	-54.7	88.6	-173.6	-67.4	7.7	0	0	0	113	F349	F349-N351 PolarHBondContact O-N 2.78Å
352	I	63.8	Low	63	Low	51 Å²	51	66.3 Å²	66.3	26%	0.262	39%	0.388	S	S	.	.			trans	-123.1	122.1	175.1	-72.3	163.4	0	0	0	106.6	G350 V354 A382 T454	G350-I352 PolarHBondContact O-N 2.88Å; I352-V354 PolarHBondContact O-N 3.41Å; I352-A382 HydrophobicContact CG2-CB 3.66Å; I352-T454 HydrophobicContact CD1-CG2 3.28Å
353	S	70.9	Confident	65.7	Low	97 Å²	97	63.9 Å²	63.9	68%	0.678	37%	0.373	S	S	*	.			trans	-60	108	165.9	36.1	0	0	0	0	108.3	T355 A382	S353-T355 PolarHBondContact O-N 2.87Å; S353-A382 VanDerWaalsContact O-CB 3.31Å; S353-A382 WeakPolarHBondContact O-CB 3.35Å
354	V	82	Confident	68.2	Low	36 Å²	36	57.1 Å²	57.1	22%	0.218	35%	0.346	C	S	.	.			trans	-66.5	129.1	173.4	168.6	0	0	0	0	108.6	I352 F455 L456 L478	I352-V354 PolarHBondContact O-N 3.41Å; V354-F455 HydrophobicContact CG2-CD1 4.27Å; V354-F455 HydrophobicContact CG2-CE1 4.02Å; V354-L456 WeakPolarHBondContact CG1-O 3.46Å; V354-L478 HydrophobicContact CG1-CB 3.95Å; V354-L478 WeakPolarHBondContact CG1-O 3.44Å
355	T	80.9	Confident	70.7	Confident	61 Å²	61	58.7 Å²	58.7	37%	0.374	35%	0.351	S	S	.	.			trans	-135.1	159.5	177.2	65.9	0	0	0	0	110.3	S353 Q380 L381 A382	S353-T355 PolarHBondContact O-N 2.87Å; T355-Q380 CarbonylContact C-O 3.51Å; T355-Q380 VanDerWaalsContact C-O 3.23Å; T355-Q380 WeakPolarHBondContact CB-O 3.49Å; T355-Q380 PolarHBondContact OG1-O 2.9Å; T355-L381 WeakPolarHBondContact O-CA 3.42Å; T355-A382 WeakPolarHBondContact OG1-CA 3.42Å; T355-A382 PolarHBondContact OG1-N 3.36Å
356	G	86.9	Confident	73.2	Confident	20 Å²	20	59.1 Å²	59.1	21%	0.206	35%	0.353	C	S	.	.			trans	96.6	-167.9	171.5	0	0	0	0	0	113.9	H379 Q380 L478	G356-H379 CarbonylContact C-O 3.57Å; G356-H379 WeakPolarHBondContact CA-O 3.22Å; G356-Q380 WeakPolarHBondContact CA-O 3.4Å; G356-Q380 PolarHBondContact N-O 3.39Å; G356-L478 PolarHBondContact O-N 3Å
357	K	90.6	Very high	75.7	Confident	81 Å²	81	65.9 Å²	65.9	35%	0.352	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	151	-169.5	63.2	-163.1	-160.7	169	0	111.3	C378 H379 C475 L476	K357-C378 CarbonylContact O-C 3.55Å; K357-C378 WeakPolarHBondContact O-CA 3.47Å; K357-C378 WeakPolarHBondContact O-CB 3.07Å; K357-H379 HydrophobicContact CG-CB 3.98Å; K357-H379 PolarHBondContact N-O 2.74Å; K357-H379 PolarHBondContact O-N 2.98Å; K357-C475 WeakPolarHBondContact CD-SG 3.39Å; K357-C475 VanDerWaalsContact CE-SG 3.55Å; K357-L476 CarbonylContact C-O 3.57Å; K357-L476 WeakPolarHBondContact CA-O 3.31Å; K357-L476 VanDerWaalsContact CB-O 3.26Å; K357-L476 WeakPolarHBondContact CB-O 3.26Å
358	I	94.1	Very high	78.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.5	174.2	-175.1	166.3	0	0	0	110.2	F360 V375 V395 F442 A459 C475 L476 L478	I358-F360 HydrophobicContact CG1-CD1 4.32Å; I358-F360 HydrophobicContact CG2-CD1 4.24Å; I358-F360 HydrophobicContact CG2-CE1 4.31Å; I358-V375 HydrophobicContact CD1-CG1 4.37Å; I358-V395 HydrophobicContact CD1-CG1 3.93Å; I358-V395 HydrophobicContact CD1-CG2 4.21Å; I358-F442 HydrophobicContact CD1-CB 3.89Å; I358-F442 HydrophobicContact CD1-CD1 3.67Å; I358-F442 HydrophobicContact CD1-CE1 4.41Å; I358-F442 HydrophobicContact CD1-CG 3.9Å; I358-A459 HydrophobicContact CG2-CB 3.99Å; I358-C475 WeakPolarHBondContact O-CA 3.34Å; I358-L476 HydrophobicContact CG2-CB 4.33Å; I358-L476 PolarHBondContact N-O 3.41Å; I358-L476 PolarHBondContact O-N 3.38Å; I358-L478 HydrophobicContact CB-CD2 4.21Å; I358-L478 HydrophobicContact CG2-CD2 4.02Å
359	I	93.4	Very high	80.6	Confident	30 Å²	30	63.9 Å²	63.9	15%	0.154	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.7	176.3	-56.8	-177.1	0	0	0	109	K376 E377 D473 H474 C475	I359-K376 HydrophobicContact CG2-CB 4.34Å; I359-K376 WeakPolarHBondContact O-CB 3.19Å; I359-K376 PolarHBondContact O-N 2.88Å; I359-E377 HydrophobicContact CB-CG 4.04Å; I359-E377 HydrophobicContact CD1-CG 4.05Å; I359-E377 HydrophobicContact CG1-CG 4.31Å; I359-E377 PolarHBondContact N-O 3.42Å; I359-E377 PolarHBondContact O-N 2.94Å; I359-D473 HydrophobicContact CG2-CB 4.25Å; I359-H474 WeakPolarHBondContact CA-O 3.35Å; I359-C475 HydrophobicContact CG1-CB 4.16Å
360	F	93.8	Very high	82.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	166.2	-177.5	63.5	-85.7	0	0	0	111.3	I358 L362 H374 F442 V461 W466 H474 L476	I358-F360 HydrophobicContact CG1-CD1 4.32Å; I358-F360 HydrophobicContact CG2-CD1 4.24Å; I358-F360 HydrophobicContact CG2-CE1 4.31Å; F360-L362 HydrophobicContact CD2-CD2 3.76Å; F360-L362 HydrophobicContact CD2-CG 3.94Å; F360-L362 HydrophobicContact CE2-CD1 4.12Å; F360-L362 HydrophobicContact CE2-CD2 4.04Å; F360-L362 HydrophobicContact CE2-CG 3.87Å; F360-H374 CarbonylContact C-O 3.48Å; F360-H374 WeakPolarHBondContact CA-O 3.38Å; F360-H374 VanDerWaalsContact CB-O 3.29Å; F360-H374 WeakPolarHBondContact CB-O 3.41Å; F360-F442 HydrophobicContact CB-CE1 4.34Å; F360-F442 HydrophobicContact CB-CZ 4.15Å; F360-F442 AromaticContact CD1-CE2 3.98Å; F360-F442 HydrophobicContact CD1-CE2 3.98Å; F360-F442 AromaticContact CD1-CZ 3.95Å; F360-F442 HydrophobicContact CD1-CZ 3.95Å; F360-F442 AromaticContact CD2-CE2 3.97Å; F360-F442 HydrophobicContact CD2-CE2 3.97Å; F360-F442 AromaticContact CD2-CZ 3.58Å; F360-F442 HydrophobicContact CD2-CZ 3.58Å; F360-F442 HydrophobicContact CE1-CD2 4.37Å; F360-F442 AromaticContact CE1-CE2 3.83Å; F360-F442 HydrophobicContact CE1-CE2 3.83Å; F360-F442 HydrophobicContact CE1-CZ 4.25Å; F360-F442 AromaticContact CE2-CE2 3.81Å; F360-F442 HydrophobicContact CE2-CE2 3.81Å; F360-F442 AromaticContact CE2-CZ 3.91Å; F360-F442 HydrophobicContact CE2-CZ 3.91Å; F360-F442 HydrophobicContact CG-CE1 4.22Å; F360-F442 HydrophobicContact CG-CE2 4.05Å; F360-F442 AromaticContact CG-CZ 3.61Å; F360-F442 HydrophobicContact CG-CZ 3.61Å; F360-F442 AromaticContact CZ-CE2 3.75Å; F360-F442 HydrophobicContact CZ-CE2 3.75Å; F360-F442 HydrophobicContact CZ-CZ 4.24Å; F360-V461 HydrophobicContact CE2-CG2 4.21Å; F360-V461 HydrophobicContact CZ-CG2 3.72Å; F360-W466 HydrophobicContact CE2-CH2 4.04Å; F360-W466 HydrophobicContact CE2-CZ3 4.2Å; F360-H474 HydrophobicContact CD2-CB 4.47Å; F360-H474 HydrophobicContact CE1-CB 4.31Å; F360-H474 HydrophobicContact CE2-CB 4.01Å; F360-H474 HydrophobicContact CZ-CB 3.91Å; F360-H474 PolarHBondContact N-O 3.43Å; F360-H474 PolarHBondContact O-N 2.91Å; F360-L476 HydrophobicContact CE1-CB 4.38Å; F360-L476 HydrophobicContact CE1-CD1 3.79Å; F360-L476 HydrophobicContact CE1-CG 3.9Å; F360-L476 HydrophobicContact CZ-CD1 3.74Å; F360-L476 HydrophobicContact CZ-CG 4.13Å
361	S	91.4	Very high	85.1	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.7	163.9	66.2	0	0	0	0	110.5	H374 Q472	S361-H374 PolarHBondContact N-O 3.47Å; S361-H374 PolarHBondContact O-N 3.34Å; S361-Q472 WeakPolarHBondContact CB-O 3.34Å
362	L	90.3	Very high	87.1	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.5	176.1	-49	-179	0	0	0	109.3	F360 L371 I372 I373 L440 F442 M463 W466	F360-L362 HydrophobicContact CD2-CD2 3.76Å; F360-L362 HydrophobicContact CD2-CG 3.94Å; F360-L362 HydrophobicContact CE2-CD1 4.12Å; F360-L362 HydrophobicContact CE2-CD2 4.04Å; F360-L362 HydrophobicContact CE2-CG 3.87Å; L362-L371 HydrophobicContact CB-CD1 4.4Å; L362-I372 WeakPolarHBondContact CA-O 3.36Å; L362-I373 HydrophobicContact CD2-CB 4.15Å; L362-I373 HydrophobicContact CD2-CG1 4.02Å; L362-I373 HydrophobicContact CD2-CG2 3.75Å; L362-L440 HydrophobicContact CD1-CD2 3.84Å; L362-L440 HydrophobicContact CD2-CD2 3.57Å; L362-L440 HydrophobicContact CG-CD2 4.4Å; L362-F442 HydrophobicContact CD2-CZ 4.36Å; L362-M463 HydrophobicContact CD1-CE 3.85Å; L362-W466 HydrophobicContact CB-CH2 4.19Å; L362-W466 HydrophobicContact CB-CZ2 3.56Å; L362-W466 HydrophobicContact CD1-CD2 3.89Å; L362-W466 HydrophobicContact CD1-CE3 3.99Å; L362-W466 HydrophobicContact CD1-CH2 3.71Å; L362-W466 HydrophobicContact CD1-CZ2 3.7Å; L362-W466 HydrophobicContact CD1-CZ3 3.88Å; L362-W466 HydrophobicContact CG-CH2 3.77Å; L362-W466 HydrophobicContact CG-CZ2 3.67Å; L362-W466 HydrophobicContact CG-CZ3 4.42Å
363	K	88.3	Confident	88.5	Confident	85 Å²	85	49 Å²	49	37%	0.37	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.3	170.3	-179.7	-162.2	168.8	-165.1	0	108.7	E365 I372	K363-E365 WeakPolarHBondContact CE-OE1 3.37Å; K363-E365 IonicContact NZ-OE1 3.67Å; K363-E365 PolarHBondContact NZ-OE1 3.26Å; K363-E365 IonicContact NZ-OE2 2.66Å; K363-E365 PolarHBondContact NZ-OE2 3.38Å; K363-I372 HydrophobicContact CB-CB 4.42Å; K363-I372 HydrophobicContact CD-CD1 4.47Å; K363-I372 PolarHBondContact N-O 3.19Å; K363-I372 WeakPolarHBondContact O-CA 3.26Å; K363-I372 WeakPolarHBondContact O-CB 3.4Å; K363-I372 PolarHBondContact O-N 3.18Å
364	F	88.3	Confident	89.6	Confident	18 Å²	18	46.1 Å²	46.1	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.2	165.2	-168.3	-112.2	0	0	0	110.5	Q366 Q369 T370 L371 I430 E432 L435 L468	F364-Q366 HydrophobicContact CD1-CB 4.2Å; F364-Q366 HydrophobicContact CE1-CB 4.16Å; F364-Q366 HydrophobicContact CE1-CG 4.32Å; F364-Q369 HydrophobicContact CZ-CB 4.42Å; F364-T370 WeakPolarHBondContact CD2-O 3.34Å; F364-L371 HydrophobicContact CD2-CB 4.27Å; F364-I430 WeakPolarHBondContact CE2-O 3.11Å; F364-E432 HydrophobicContact CD1-CG 4.4Å; F364-E432 HydrophobicContact CE1-CB 3.71Å; F364-E432 HydrophobicContact CE1-CG 3.86Å; F364-E432 HydrophobicContact CZ-CB 3.87Å; F364-E432 HydrophobicContact CZ-CG 4.4Å; F364-L435 HydrophobicContact CD2-CD2 3.6Å; F364-L435 HydrophobicContact CE2-CD2 3.87Å; F364-L435 HydrophobicContact CG-CD2 4.18Å; F364-L468 HydrophobicContact CB-CD1 3.54Å; F364-L468 HydrophobicContact CB-CD2 4.1Å; F364-L468 HydrophobicContact CB-CG 3.8Å; F364-L468 HydrophobicContact CD1-CD2 4.04Å; F364-L468 HydrophobicContact CG-CD1 4.21Å; F364-L468 HydrophobicContact CG-CD2 4.44Å
365	E	89.7	Confident	90.3	Very high	61 Å²	61	44.4 Å²	44.4	29%	0.285	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	77.2	-178.1	-169.5	93	-101.7	0	0	108.6	K363 K367 T368 Q369 T370 I372	K363-E365 WeakPolarHBondContact CE-OE1 3.37Å; K363-E365 IonicContact NZ-OE1 3.67Å; K363-E365 PolarHBondContact NZ-OE1 3.26Å; K363-E365 IonicContact NZ-OE2 2.66Å; K363-E365 PolarHBondContact NZ-OE2 3.38Å; E365-K367 PolarHBondContact O-N 3.12Å; E365-T368 WeakPolarHBondContact CB-OG1 3.43Å; E365-T368 HydrophobicContact CG-CG2 4.15Å; E365-T368 WeakPolarHBondContact CG-OG1 3.01Å; E365-T368 WeakPolarHBondContact O-CA 3.26Å; E365-T368 PolarHBondContact O-N 2.92Å; E365-T368 PolarHBondContact O-OG1 3.28Å; E365-Q369 PolarHBondContact O-N 2.84Å; E365-Q369 VanDerWaalsContact O-N 3.09Å; E365-T370 PolarHBondContact N-O 3.15Å; E365-I372 HydrophobicContact CB-CD1 4.15Å
366	Q	85.3	Confident	90.9	Very high	122 Å²	122	44.4 Å²	44.4	57%	0.57	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-50.5	-37	-168.9	-167	-178.9	54.5	0	0	113.8	F364 T368 Q369 E432	F364-Q366 HydrophobicContact CD1-CB 4.2Å; F364-Q366 HydrophobicContact CE1-CB 4.16Å; F364-Q366 HydrophobicContact CE1-CG 4.32Å; Q366-T368 PolarHBondContact O-N 3.44Å; Q366-T368 VanDerWaalsContact O-N 3.11Å; Q366-Q369 PolarHBondContact O-N 3.16Å; Q366-Q369 PolarHBondContact O-NE2 2.93Å; Q366-E432 WeakPolarHBondContact CG-OE2 3.43Å; Q366-E432 PolarHBondContact NE2-OE2 2.72Å
367	K	87.7	Confident	91.2	Very high	209 Å²	209	46 Å²	46	91%	0.909	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-59	-20.5	174.8	-68.2	-172.7	176.5	-174.9	0	114.9	E365	E365-K367 PolarHBondContact O-N 3.12Å
368	T	88.1	Confident	91.4	Very high	78 Å²	78	42.1 Å²	42.1	48%	0.479	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-118.9	-5.9	-179	64	0	0	0	0	113	E365 Q366 T370	E365-T368 WeakPolarHBondContact CB-OG1 3.43Å; E365-T368 HydrophobicContact CG-CG2 4.15Å; E365-T368 WeakPolarHBondContact CG-OG1 3.01Å; E365-T368 WeakPolarHBondContact O-CA 3.26Å; E365-T368 PolarHBondContact O-N 2.92Å; E365-T368 PolarHBondContact O-OG1 3.28Å; Q366-T368 PolarHBondContact O-N 3.44Å; Q366-T368 VanDerWaalsContact O-N 3.11Å; T368-T370 VanDerWaalsContact C-N 3.27Å; T368-T370 PolarHBondContact O-N 3.39Å; T368-T370 PolarHBondContact OG1-N 3.06Å; T368-T370 PolarHBondContact OG1-OG1 2.98Å
369	Q	89.9	Confident	91.3	Very high	66 Å²	66	45 Å²	45	31%	0.308	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	49.6	-168.3	-59.9	-69.4	-72	0	0	111.8	F364 E365 Q366 I430	F364-Q369 HydrophobicContact CZ-CB 4.42Å; E365-Q369 PolarHBondContact O-N 2.84Å; E365-Q369 VanDerWaalsContact O-N 3.09Å; Q366-Q369 PolarHBondContact O-N 3.16Å; Q366-Q369 PolarHBondContact O-NE2 2.93Å; Q369-I430 CarbonylContact C-O 3.55Å; Q369-I430 CarbonylContact O-C 3.53Å; Q369-I430 PolarHBondContact O-N 2.95Å
370	T	90.8	Very high	91.1	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131	175.3	65.4	0	0	0	0	113	F364 E365 T368 Y428 E429	F364-T370 WeakPolarHBondContact CD2-O 3.34Å; E365-T370 PolarHBondContact N-O 3.15Å; T368-T370 VanDerWaalsContact C-N 3.27Å; T368-T370 PolarHBondContact O-N 3.39Å; T368-T370 PolarHBondContact OG1-N 3.06Å; T368-T370 PolarHBondContact OG1-OG1 2.98Å; T370-Y428 CarbonylContact C-O 3.47Å; T370-Y428 VanDerWaalsContact CA-O 3.25Å; T370-Y428 WeakPolarHBondContact CA-O 3.42Å; T370-E429 HydrophobicContact CG2-CG 3.7Å
371	L	91.1	Very high	90.9	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.9	163.4	175.6	70.8	0	0	0	108.6	L362 F364 I373 L399 R427 Y428 I430 L435 M463	L362-L371 HydrophobicContact CB-CD1 4.4Å; F364-L371 HydrophobicContact CD2-CB 4.27Å; L371-I373 HydrophobicContact CD2-CD1 3.88Å; L371-I373 HydrophobicContact CD2-CG1 4.03Å; L371-I373 HydrophobicContact CG-CD1 4.32Å; L371-I373 HydrophobicContact CG-CG1 3.92Å; L371-L399 HydrophobicContact CD2-CD1 4.37Å; L371-R427 WeakPolarHBondContact O-CA 3.31Å; L371-Y428 PolarHBondContact N-O 3.25Å; L371-Y428 PolarHBondContact O-N 2.94Å; L371-I430 HydrophobicContact CB-CG2 4.34Å; L371-L435 HydrophobicContact CD2-CD1 3.96Å; L371-M463 HydrophobicContact CD2-SD 4.29Å
372	I	92.3	Very high	90.6	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.108	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.5	176.6	-54.6	179	0	0	0	107.8	L362 K363 E365 T425 F426 R427	L362-I372 WeakPolarHBondContact CA-O 3.36Å; K363-I372 HydrophobicContact CB-CB 4.42Å; K363-I372 HydrophobicContact CD-CD1 4.47Å; K363-I372 PolarHBondContact N-O 3.19Å; K363-I372 WeakPolarHBondContact O-CA 3.26Å; K363-I372 WeakPolarHBondContact O-CB 3.4Å; K363-I372 PolarHBondContact O-N 3.18Å; E365-I372 HydrophobicContact CB-CD1 4.15Å; I372-T425 HydrophobicContact CG2-CG2 3.42Å; I372-T425 VanDerWaalsContact CG2-CG2 3.42Å; I372-F426 WeakPolarHBondContact CA-O 3.35Å; I372-R427 HydrophobicContact CG1-CG 4.47Å
373	I	93.4	Very high	90.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.1	-174.6	-51.7	-175.7	0	0	0	108.3	L362 L371 V375 T425 F426 Y428 L440 F442	L362-I373 HydrophobicContact CD2-CB 4.15Å; L362-I373 HydrophobicContact CD2-CG1 4.02Å; L362-I373 HydrophobicContact CD2-CG2 3.75Å; L371-I373 HydrophobicContact CD2-CD1 3.88Å; L371-I373 HydrophobicContact CD2-CG1 4.03Å; L371-I373 HydrophobicContact CG-CD1 4.32Å; L371-I373 HydrophobicContact CG-CG1 3.92Å; I373-V375 HydrophobicContact CG2-CG2 4.4Å; I373-T425 CarbonylContact O-C 3.56Å; I373-T425 WeakPolarHBondContact O-CA 3.39Å; I373-F426 HydrophobicContact CB-CB 4.49Å; I373-F426 PolarHBondContact N-O 3.43Å; I373-F426 PolarHBondContact O-N 2.66Å; I373-Y428 HydrophobicContact CD1-CD2 3.6Å; I373-Y428 HydrophobicContact CD1-CE2 3.52Å; I373-Y428 HydrophobicContact CG1-CD2 4.26Å; I373-Y428 HydrophobicContact CG1-CE2 4.48Å; I373-L440 HydrophobicContact CD1-CD1 3.57Å; I373-L440 HydrophobicContact CD1-CD2 3.73Å; I373-L440 HydrophobicContact CD1-CG 4.31Å; I373-L440 HydrophobicContact CG1-CD2 4.39Å; I373-L440 HydrophobicContact CG2-CD2 4.44Å; I373-F442 HydrophobicContact CG2-CE1 3.81Å; I373-F442 HydrophobicContact CG2-CZ 3.91Å
374	H	94.3	Very high	89.9	Confident	36 Å²	36	49.6 Å²	49.6	17%	0.167	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105.6	179.7	-179.7	-149.9	0	0	0	109.9	F360 S361 K376 D423 T425	F360-H374 CarbonylContact C-O 3.48Å; F360-H374 WeakPolarHBondContact CA-O 3.38Å; F360-H374 VanDerWaalsContact CB-O 3.29Å; F360-H374 WeakPolarHBondContact CB-O 3.41Å; S361-H374 PolarHBondContact N-O 3.47Å; S361-H374 PolarHBondContact O-N 3.34Å; H374-K376 VanDerWaalsContact CE1-CE 3.44Å; H374-K376 WeakPolarHBondContact CE1-CE 3.14Å; H374-K376 VanDerWaalsContact ND1-CE 3.31Å; H374-K376 WeakPolarHBondContact ND1-CE 3.4Å; H374-K376 PolarHBondContact O-N 2.85Å; H374-D423 IonicContact CD2-OD1 2.67Å; H374-D423 IonicContact CE1-OD1 2.67Å; H374-D423 PolarHBondContact CE1-OD1 3.16Å; H374-D423 VanDerWaalsContact CE1-OD1 3.32Å; H374-D423 IonicContact NE2-OD1 3.61Å; H374-D423 PolarHBondContact NE2-OD1 3.41Å; H374-T425 PolarHBondContact CD2-OG1 2.63Å; H374-T425 VanDerWaalsContact CD2-OG1 3.28Å
375	V	95.3	Very high	89.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	106	176	-179	0	0	0	0	108.2	I358 I373 V395 T411 Y422 D423 E424 F426 F442	I358-V375 HydrophobicContact CD1-CG1 4.37Å; I373-V375 HydrophobicContact CG2-CG2 4.4Å; V375-V395 HydrophobicContact CG1-CG2 4.18Å; V375-T411 HydrophobicContact CB-CG2 4.32Å; V375-T411 HydrophobicContact CG1-CG2 4.08Å; V375-Y422 HydrophobicContact CG1-CD2 3.89Å; V375-Y422 HydrophobicContact CG1-CG 4.35Å; V375-D423 PolarHBondContact O-N 2.88Å; V375-E424 PolarHBondContact N-O 2.94Å; V375-E424 PolarHBondContact O-N 3.04Å; V375-F426 HydrophobicContact CG2-CD2 4.3Å; V375-F426 HydrophobicContact CG2-CE2 3.88Å; V375-F442 HydrophobicContact CG2-CD1 4.38Å; V375-F442 HydrophobicContact CG2-CE1 3.95Å
376	K	93.7	Very high	88.2	Confident	60 Å²	60	55.7 Å²	55.7	26%	0.261	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-66.2	-177.2	-65.4	-167.6	171.5	-171.8	0	110.8	I359 H374 Y422 D423 D473	I359-K376 HydrophobicContact CG2-CB 4.34Å; I359-K376 WeakPolarHBondContact O-CB 3.19Å; I359-K376 PolarHBondContact O-N 2.88Å; H374-K376 VanDerWaalsContact CE1-CE 3.44Å; H374-K376 WeakPolarHBondContact CE1-CE 3.14Å; H374-K376 VanDerWaalsContact ND1-CE 3.31Å; H374-K376 WeakPolarHBondContact ND1-CE 3.4Å; H374-K376 PolarHBondContact O-N 2.85Å; K376-Y422 PolarHBondContact O-N 3.18Å; K376-D423 PolarHBondContact O-N 2.81Å; K376-D473 WeakPolarHBondContact CE-OD1 3.26Å; K376-D473 IonicContact NZ-OD1 2.84Å; K376-D473 PolarHBondContact NZ-OD1 3.13Å; K376-D473 IonicContact NZ-OD2 3.32Å; K376-D473 PolarHBondContact NZ-OD2 3.25Å
377	E	94.2	Very high	87.4	Confident	54 Å²	54	54.6 Å²	54.6	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	173	-177.1	64.7	171.9	-148.7	0	0	113.1	I359 P420 L421	I359-E377 HydrophobicContact CB-CG 4.04Å; I359-E377 HydrophobicContact CD1-CG 4.05Å; I359-E377 HydrophobicContact CG1-CG 4.31Å; I359-E377 PolarHBondContact N-O 3.42Å; I359-E377 PolarHBondContact O-N 2.94Å; E377-P420 CarbonylContact C-O 3.57Å; E377-P420 WeakPolarHBondContact CA-O 3.27Å; E377-P420 WeakPolarHBondContact CB-O 3.38Å; E377-L421 HydrophobicContact CB-CB 4.35Å
378	C	94.7	Very high	86.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.3	156.6	-52	0	0	0	0	109.6	K357 L381 N419 P420	K357-C378 CarbonylContact O-C 3.55Å; K357-C378 WeakPolarHBondContact O-CA 3.47Å; K357-C378 WeakPolarHBondContact O-CB 3.07Å; C378-L381 HydrophobicContact CB-CD1 3.95Å; C378-L381 HydrophobicContact CB-CD2 3.73Å; C378-L381 HydrophobicContact CB-CG 3.87Å; C378-N419 CarbonylContact O-C 3.54Å; C378-N419 VanDerWaalsContact O-CA 3.26Å; C378-N419 WeakPolarHBondContact O-CA 3.38Å; C378-P420 HydrophobicContact CB-CG 3.86Å; C378-P420 PolarHBondContact N-O 3.46Å; C378-P420 VanDerWaalsContact O-CD 3.28Å; C378-P420 WeakPolarHBondContact O-CD 3.48Å
379	H	91.5	Very high	86.3	Confident	61 Å²	61	54.2 Å²	54.2	28%	0.282	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.1	-175.4	-163.4	95.8	0	0	0	110.1	G356 K357 L381 N419	G356-H379 CarbonylContact C-O 3.57Å; G356-H379 WeakPolarHBondContact CA-O 3.22Å; K357-H379 HydrophobicContact CG-CB 3.98Å; K357-H379 PolarHBondContact N-O 2.74Å; K357-H379 PolarHBondContact O-N 2.98Å; H379-L381 VanDerWaalsContact C-N 3.34Å; H379-L381 PolarHBondContact O-N 3.15Å; H379-N419 WeakPolarHBondContact CA-OD1 3.4Å
380	Q	88.9	Confident	85.9	Confident	116 Å²	116	54.5 Å²	54.5	54%	0.542	27%	0.268	S	S	.	.	S	Bend	trans	56.1	37	179	-71.1	164.2	-2.8	0	0	115.2	T355 G356 I418 N419	T355-Q380 CarbonylContact C-O 3.51Å; T355-Q380 VanDerWaalsContact C-O 3.23Å; T355-Q380 WeakPolarHBondContact CB-O 3.49Å; T355-Q380 PolarHBondContact OG1-O 2.9Å; G356-Q380 WeakPolarHBondContact CA-O 3.4Å; G356-Q380 PolarHBondContact N-O 3.39Å; Q380-I418 PolarHBondContact N-O 2.88Å; Q380-N419 PolarHBondContact N-OD1 2.98Å
381	L	90.2	Very high	85.7	Confident	2 Å²	2	54 Å²	54	1%	0.01	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-58.6	150.2	174.1	-63.7	-176	0	0	0	112.5	T355 C378 H379 P393 I418 P420 V444 L456 L478	T355-L381 WeakPolarHBondContact O-CA 3.42Å; C378-L381 HydrophobicContact CB-CD1 3.95Å; C378-L381 HydrophobicContact CB-CD2 3.73Å; C378-L381 HydrophobicContact CB-CG 3.87Å; H379-L381 VanDerWaalsContact C-N 3.34Å; H379-L381 PolarHBondContact O-N 3.15Å; L381-P393 HydrophobicContact CD1-CB 3.47Å; L381-P393 VanDerWaalsContact CD1-CB 3.47Å; L381-P393 HydrophobicContact CD1-CG 3.89Å; L381-I418 HydrophobicContact CB-CB 4.24Å; L381-I418 WeakPolarHBondContact CB-O 3.22Å; L381-I418 WeakPolarHBondContact CG-O 3.37Å; L381-I418 PolarHBondContact N-O 3.06Å; L381-I418 VanDerWaalsContact O-CB 3.27Å; L381-I418 WeakPolarHBondContact O-CB 3.19Å; L381-I418 WeakPolarHBondContact O-CG2 3.32Å; L381-P420 HydrophobicContact CD1-CG 3.65Å; L381-V444 HydrophobicContact CD1-CG1 4.01Å; L381-V444 HydrophobicContact CD2-CG1 4.22Å; L381-L456 HydrophobicContact CD1-CD1 4.36Å; L381-L478 HydrophobicContact CD2-CD1 3.22Å
382	A	85.8	Confident	85.7	Confident	6 Å²	6	54.3 Å²	54.3	5%	0.05	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-62.4	152.6	174.7	0	0	0	0	0	112.8	I352 S353 T355 S391 L456	I352-A382 HydrophobicContact CG2-CB 3.66Å; S353-A382 VanDerWaalsContact O-CB 3.31Å; S353-A382 WeakPolarHBondContact O-CB 3.35Å; T355-A382 WeakPolarHBondContact OG1-CA 3.42Å; T355-A382 PolarHBondContact OG1-N 3.36Å; A382-S391 PolarHBondContact O-OG 3.45Å; A382-L456 HydrophobicContact CB-CD2 4.23Å; A382-L456 WeakPolarHBondContact O-CD2 3.43Å
383	Y	84.2	Confident	85.7	Confident	93 Å²	93	53.3 Å²	53.3	37%	0.365	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-82.6	116.5	169.9	-69.9	-66.9	0	0	0	110.2	D385 K389 I418	Y383-D385 PolarHBondContact O-N 3.43Å; Y383-K389 HydrophobicContact CD1-CB 4.03Å; Y383-K389 WeakPolarHBondContact CD1-O 3.45Å; Y383-K389 VanDerWaalsContact CE1-C 3.48Å; Y383-K389 HydrophobicContact CE1-CB 3.79Å; Y383-K389 WeakPolarHBondContact CE1-O 3.41Å; Y383-K389 HydrophobicContact CE2-CB 4.37Å; Y383-K389 HydrophobicContact CE2-CG 4.44Å; Y383-K389 HydrophobicContact CG-CB 4.41Å; Y383-I418 HydrophobicContact CD1-CG2 3.62Å; Y383-I418 HydrophobicContact CE1-CG2 3.43Å; Y383-I418 VanDerWaalsContact CE1-CG2 3.43Å; Y383-I418 HydrophobicContact CE2-CD1 4.44Å; Y383-I418 HydrophobicContact CG-CG2 4.29Å
384	A	77.9	Confident	85.8	Confident	23 Å²	23	54.3 Å²	54.3	19%	0.19	27%	0.265	C	S	.	.	S	Bend	trans	-74.3	-17.4	177.7	0	0	0	0	0	113.9	R390 S391 H446 T454 L456	A384-R390 PolarHBondContact N-O 3.48Å; A384-S391 PolarHBondContact N-OG 3.31Å; A384-S391 VanDerWaalsContact N-OG 3.14Å; A384-H446 HydrophobicContact CB-CB 3.56Å; A384-H446 WeakPolarHBondContact CB-ND1 3.5Å; A384-T454 HydrophobicContact CB-CG2 4.37Å; A384-L456 HydrophobicContact CB-CD2 4.14Å
385	D	72.4	Confident	85.8	Confident	49 Å²	49	52.6 Å²	52.6	26%	0.262	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-131.5	85.3	172.1	-172.9	-27.4	0	0	0	106.4	Y383 A387 K388 K389 R390	Y383-D385 PolarHBondContact O-N 3.43Å; D385-A387 VanDerWaalsContact C-N 3.33Å; D385-A387 PolarHBondContact O-N 2.82Å; D385-K388 CarbonylContact O-C 3.5Å; D385-K388 PolarHBondContact O-N 2.91Å; D385-K388 WeakPolarHBondContact OD1-CB 3.19Å; D385-K388 WeakPolarHBondContact OD1-CG 3.17Å; D385-K388 PolarHBondContact OD1-N 3.04Å; D385-K388 IonicContact OD1-NZ 3.91Å; D385-K388 PolarHBondContact OD1-NZ 2.8Å; D385-K388 WeakPolarHBondContact OD2-CD 3.4Å; D385-K388 WeakPolarHBondContact OD2-CE 3.17Å; D385-K388 IonicContact OD2-NZ 2.86Å; D385-K388 PolarHBondContact OD2-NZ 3.19Å; D385-K389 WeakPolarHBondContact O-CA 3.45Å; D385-K389 PolarHBondContact O-N 2.84Å; D385-R390 HydrophobicContact CB-CB 4.46Å; D385-R390 PolarHBondContact N-O 3.27Å; D385-R390 PolarHBondContact O-N 3.1Å; D385-R390 VanDerWaalsContact O-N 3.1Å
386	E	70.7	Confident	85.8	Confident	157 Å²	157	53.5 Å²	53.5	73%	0.734	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.2	-41.8	-175.4	-173.9	174.6	-155.8	0	0	111.6	K388 K389	E386-K388 PolarHBondContact O-N 2.96Å; E386-K388 VanDerWaalsContact O-N 3.16Å; E386-K389 WeakPolarHBondContact O-CG 3.2Å; E386-K389 PolarHBondContact O-N 3.47Å
387	A	68.2	Low	85.8	Confident	99 Å²	99	50.6 Å²	50.6	82%	0.818	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-60	-25.8	177.7	0	0	0	0	0	113.8	D385	D385-A387 VanDerWaalsContact C-N 3.33Å; D385-A387 PolarHBondContact O-N 2.82Å
388	K	73.8	Confident	85.6	Confident	132 Å²	132	49.2 Å²	49.2	57%	0.574	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-108.6	-3.6	174.5	-60.1	176.9	-152.4	67.5	0	113.3	D385 E386 R390	D385-K388 CarbonylContact O-C 3.5Å; D385-K388 PolarHBondContact O-N 2.91Å; D385-K388 WeakPolarHBondContact OD1-CB 3.19Å; D385-K388 WeakPolarHBondContact OD1-CG 3.17Å; D385-K388 PolarHBondContact OD1-N 3.04Å; D385-K388 IonicContact OD1-NZ 3.91Å; D385-K388 PolarHBondContact OD1-NZ 2.8Å; D385-K388 WeakPolarHBondContact OD2-CD 3.4Å; D385-K388 WeakPolarHBondContact OD2-CE 3.17Å; D385-K388 IonicContact OD2-NZ 2.86Å; D385-K388 PolarHBondContact OD2-NZ 3.19Å; E386-K388 PolarHBondContact O-N 2.96Å; E386-K388 VanDerWaalsContact O-N 3.16Å; K388-R390 HydrophobicContact CB-CG 3.73Å; K388-R390 VanDerWaalsContact O-CG 3.24Å; K388-R390 WeakPolarHBondContact O-CG 3.44Å
389	K	80.1	Confident	85.3	Confident	147 Å²	147	49.7 Å²	49.7	64%	0.639	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	53	-170	-61.8	-172.1	178.1	-175.8	0	113.4	Y383 D385 E386	Y383-K389 HydrophobicContact CD1-CB 4.03Å; Y383-K389 WeakPolarHBondContact CD1-O 3.45Å; Y383-K389 VanDerWaalsContact CE1-C 3.48Å; Y383-K389 HydrophobicContact CE1-CB 3.79Å; Y383-K389 WeakPolarHBondContact CE1-O 3.41Å; Y383-K389 HydrophobicContact CE2-CB 4.37Å; Y383-K389 HydrophobicContact CE2-CG 4.44Å; Y383-K389 HydrophobicContact CG-CB 4.41Å; D385-K389 WeakPolarHBondContact O-CA 3.45Å; D385-K389 PolarHBondContact O-N 2.84Å; E386-K389 WeakPolarHBondContact O-CG 3.2Å; E386-K389 PolarHBondContact O-N 3.47Å
390	R	79.7	Confident	85	Confident	72 Å²	72	48 Å²	48	27%	0.272	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-120.7	130.2	-175.3	-55.1	-170.5	67.1	159.2	3.3	114.3	A384 D385 K388 D416	A384-R390 PolarHBondContact N-O 3.48Å; D385-R390 HydrophobicContact CB-CB 4.46Å; D385-R390 PolarHBondContact N-O 3.27Å; D385-R390 PolarHBondContact O-N 3.1Å; D385-R390 VanDerWaalsContact O-N 3.1Å; K388-R390 HydrophobicContact CB-CG 3.73Å; K388-R390 VanDerWaalsContact O-CG 3.24Å; K388-R390 WeakPolarHBondContact O-CG 3.44Å; R390-D416 IonicContact CZ-OD1 3.37Å; R390-D416 IonicContact CZ-OD2 3.62Å; R390-D416 VanDerWaalsContact CZ-OD2 3.29Å; R390-D416 IonicContact NE-OD1 3.04Å; R390-D416 PolarHBondContact NE-OD1 2.99Å; R390-D416 IonicContact NE-OD2 3.48Å; R390-D416 IonicContact NH2-OD1 2.78Å; R390-D416 PolarHBondContact NH2-OD1 3.18Å; R390-D416 IonicContact NH2-OD2 3.9Å; R390-D416 PolarHBondContact NH2-OD2 3.49Å
391	S	87.6	Confident	84.5	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	24%	0.243	C	C	.	.			trans	-131.8	137.1	166.2	-84.9	0	0	0	0	112.3	A382 A384 P393 D416 T417 H446	A382-S391 PolarHBondContact O-OG 3.45Å; A384-S391 PolarHBondContact N-OG 3.31Å; A384-S391 VanDerWaalsContact N-OG 3.14Å; S391-P393 VanDerWaalsContact C-CD 3.4Å; S391-P393 WeakPolarHBondContact O-CD 3.42Å; S391-D416 CarbonylContact O-C 3.54Å; S391-D416 VanDerWaalsContact O-CA 3.25Å; S391-D416 WeakPolarHBondContact O-CA 3.25Å; S391-D416 PolarHBondContact O-N 2.91Å; S391-T417 WeakPolarHBondContact CB-O 3.45Å; S391-T417 PolarHBondContact O-N 3.32Å; S391-H446 WeakPolarHBondContact CA-ND1 3.34Å
392	N	90.9	Very high	83.8	Confident	11 Å²	11	50 Å²	50	6%	0.059	26%	0.257	C	S	.	.			trans	-118.6	68.7	173.5	-55.7	-61.3	0	0	0	109.4	I413 K414 R415 D416 H446 H447	N392-I413 HydrophobicContact CB-CG2 4.27Å; N392-K414 CarbonylContact C-O 3.54Å; N392-K414 WeakPolarHBondContact CA-O 3.48Å; N392-R415 WeakPolarHBondContact OD1-CA 3.41Å; N392-D416 PolarHBondContact OD1-N 3.36Å; N392-H446 PolarHBondContact N-ND1 3.37Å; N392-H446 VanDerWaalsContact N-ND1 3.15Å; N392-H446 PolarHBondContact ND2-CE1 3Å; N392-H447 HydrophobicContact CB-CB 4.4Å; N392-H447 WeakPolarHBondContact CB-O 3.37Å; N392-H447 PolarHBondContact ND2-O 2.71Å; N392-H447 VanDerWaalsContact ND2-O 3.15Å; N392-H447 PolarHBondContact O-N 2.88Å
393	P	93.2	Very high	83.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149.5	-165.2	33.9	-40	0	0	0	113.3	L381 S391 K414 T417 P420 Y422 W445 L456	L381-P393 HydrophobicContact CD1-CB 3.47Å; L381-P393 VanDerWaalsContact CD1-CB 3.47Å; L381-P393 HydrophobicContact CD1-CG 3.89Å; S391-P393 VanDerWaalsContact C-CD 3.4Å; S391-P393 WeakPolarHBondContact O-CD 3.42Å; P393-K414 WeakPolarHBondContact CD-O 3.5Å; P393-K414 PolarHBondContact O-N 3.19Å; P393-T417 VanDerWaalsContact CD-O 3.24Å; P393-T417 WeakPolarHBondContact CD-O 3.28Å; P393-T417 HydrophobicContact CG-CG2 4.16Å; P393-T417 WeakPolarHBondContact CG-O 3.26Å; P393-P420 HydrophobicContact CB-CG 4.06Å; P393-P420 HydrophobicContact CG-CB 3.57Å; P393-P420 HydrophobicContact CG-CG 3.48Å; P393-P420 VanDerWaalsContact CG-CG 3.48Å; P393-Y422 VanDerWaalsContact C-OH 3.28Å; P393-Y422 WeakPolarHBondContact CB-OH 3.49Å; P393-Y422 PolarHBondContact O-OH 3.41Å; P393-W445 CarbonylContact C-O 3.52Å; P393-W445 VanDerWaalsContact CA-O 3.31Å; P393-W445 WeakPolarHBondContact CA-O 3.43Å; P393-L456 HydrophobicContact CB-CD1 4Å
394	Y	94.7	Very high	82.6	Confident	22 Å²	22	52.6 Å²	52.6	9%	0.086	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.2	165.2	71.5	-81.1	0	0	0	110.3	K396 I413 Y422 W445 H447 N453	Y394-K396 HydrophobicContact CD2-CG 4.42Å; Y394-K396 HydrophobicContact CE2-CD 4.49Å; Y394-K396 HydrophobicContact CE2-CG 3.92Å; Y394-I413 HydrophobicContact CD1-CG1 3.97Å; Y394-I413 HydrophobicContact CG-CG1 3.96Å; Y394-Y422 WeakPolarHBondContact CA-OH 3.34Å; Y394-Y422 PolarHBondContact N-OH 3.45Å; Y394-W445 HydrophobicContact CD1-CB 4.07Å; Y394-W445 WeakPolarHBondContact CD1-O 3.46Å; Y394-W445 HydrophobicContact CE1-CB 3.51Å; Y394-W445 HydrophobicContact CE2-CB 4.24Å; Y394-W445 PolarHBondContact N-O 3.41Å; Y394-W445 PolarHBondContact O-N 3.36Å; Y394-H447 HydrophobicContact CD1-CB 4.12Å; Y394-H447 HydrophobicContact CE1-CB 4.08Å; Y394-N453 PolarHBondContact OH-ND2 2.73Å
395	V	95.2	Very high	82.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.8	178.3	-169.8	0	0	0	0	109.8	I358 V375 K410 T411 Y422 F442 V444	I358-V395 HydrophobicContact CD1-CG1 3.93Å; I358-V395 HydrophobicContact CD1-CG2 4.21Å; V375-V395 HydrophobicContact CG1-CG2 4.18Å; V395-K410 CarbonylContact O-C 3.53Å; V395-K410 WeakPolarHBondContact O-CA 3.41Å; V395-T411 HydrophobicContact CB-CG2 3.89Å; V395-T411 HydrophobicContact CG2-CG2 4.33Å; V395-T411 PolarHBondContact N-OG1 3.28Å; V395-T411 PolarHBondContact O-N 2.74Å; V395-Y422 HydrophobicContact CG2-CD2 4.25Å; V395-Y422 HydrophobicContact CG2-CE2 3.59Å; V395-F442 HydrophobicContact CG1-CB 4.31Å; V395-F442 HydrophobicContact CG1-CD1 4.21Å; V395-V444 HydrophobicContact CG2-CG2 4.24Å
396	K	94.2	Very high	81.8	Confident	18 Å²	18	67.2 Å²	67.2	8%	0.078	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	145.7	164.5	-54.4	168.1	-169.4	161.3	0	108.1	Y394 Y398 R409 S443 W445	Y394-K396 HydrophobicContact CD2-CG 4.42Å; Y394-K396 HydrophobicContact CE2-CD 4.49Å; Y394-K396 HydrophobicContact CE2-CG 3.92Å; K396-Y398 HydrophobicContact CB-CD2 4.47Å; K396-Y398 HydrophobicContact CB-CE2 3.82Å; K396-Y398 HydrophobicContact CD-CE2 4.19Å; K396-R409 WeakPolarHBondContact CA-O 3.41Å; K396-S443 PolarHBondContact N-O 3.02Å; K396-S443 PolarHBondContact O-N 3.46Å; K396-W445 HydrophobicContact CD-CG 4.47Å
397	T	93.8	Very high	81.9	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.4	168.8	66.2	0	0	0	0	111.5	K408 R409 F426 Y428 Q441 F442	T397-K408 WeakPolarHBondContact O-CA 3.15Å; T397-R409 PolarHBondContact N-O 3.39Å; T397-R409 PolarHBondContact O-N 3.49Å; T397-R409 WeakPolarHBondContact OG1-CB 3.21Å; T397-F426 HydrophobicContact CG2-CD2 4.23Å; T397-F426 HydrophobicContact CG2-CE2 4.33Å; T397-Y428 VanDerWaalsContact C-OH 3.29Å; T397-Y428 PolarHBondContact O-OH 2.66Å; T397-Y428 PolarHBondContact OG1-OH 3.05Å; T397-Q441 VanDerWaalsContact CA-O 3.31Å; T397-Q441 WeakPolarHBondContact CA-O 3.4Å; T397-F442 HydrophobicContact CG2-CD1 3.54Å; T397-F442 HydrophobicContact CG2-CE1 3.77Å; T397-F442 HydrophobicContact CG2-CG 4.46Å
398	Y	90.4	Very high	82.8	Confident	25 Å²	25	57.8 Å²	57.8	10%	0.098	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148	177.8	-60.6	-95.2	0	0	0	109.5	K396 K408 Q441	K396-Y398 HydrophobicContact CB-CD2 4.47Å; K396-Y398 HydrophobicContact CB-CE2 3.82Å; K396-Y398 HydrophobicContact CD-CE2 4.19Å; Y398-K408 HydrophobicContact CD1-CB 4.13Å; Y398-K408 HydrophobicContact CD1-CG 4.42Å; Y398-K408 HydrophobicContact CE1-CB 3.86Å; Y398-K408 HydrophobicContact CE1-CD 3.78Å; Y398-K408 HydrophobicContact CE1-CG 3.92Å; Y398-K408 HydrophobicContact CE2-CD 4.48Å; Y398-K408 WeakPolarHBondContact OH-CD 3.45Å; Y398-Q441 PolarHBondContact N-O 2.94Å; Y398-Q441 PolarHBondContact O-N 3.22Å
399	L	88.8	Confident	83.7	Confident	9 Å²	9	55.3 Å²	55.3	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	81.3	177.4	-169.1	62	0	0	0	108.5	L371 D402 Y428 I430 L435 R438 L440	L371-L399 HydrophobicContact CD2-CD1 4.37Å; L399-D402 WeakPolarHBondContact O-CB 3.41Å; L399-D402 PolarHBondContact O-N 2.99Å; L399-Y428 HydrophobicContact CB-CD1 3.9Å; L399-Y428 HydrophobicContact CB-CE1 3.79Å; L399-Y428 HydrophobicContact CD2-CD1 3.92Å; L399-Y428 HydrophobicContact CD2-CG 4.29Å; L399-I430 HydrophobicContact CD2-CD1 3.72Å; L399-I430 HydrophobicContact CD2-CG2 4.18Å; L399-L435 HydrophobicContact CD1-CD1 4.49Å; L399-R438 HydrophobicContact CD1-CB 3.65Å; L399-R438 HydrophobicContact CD1-CG 4.31Å; L399-R438 HydrophobicContact CG-CB 3.9Å; L399-R438 HydrophobicContact CG-CG 4.06Å; L399-L440 HydrophobicContact CD1-CB 4.36Å
400	L	85.1	Confident	84.3	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.141	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	141.5	-169.6	-59.7	-178.4	0	0	0	111.2	K403 R438 T439 Q441	L400-K403 HydrophobicContact CD2-CG 3.7Å; L400-R438 WeakPolarHBondContact O-CA 3.47Å; L400-R438 WeakPolarHBondContact O-CB 3.41Å; L400-R438 WeakPolarHBondContact O-CD 3.46Å; L400-T439 WeakPolarHBondContact CB-O 3.31Å; L400-T439 PolarHBondContact N-O 3.02Å; L400-T439 PolarHBondContact O-N 3.24Å; L400-Q441 HydrophobicContact CD1-CB 4Å; L400-Q441 HydrophobicContact CG-CB 4.18Å
401	P	78.1	Confident	85	Confident	102 Å²	102	51.7 Å²	51.7	66%	0.662	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	cis	-77.1	2.7	8.8	28.8	-36.9	0	0	0	117.2	K403	P401-K403 PolarHBondContact O-N 2.88Å
402	D	74.4	Confident	85.3	Confident	58 Å²	58	54.1 Å²	54.1	31%	0.31	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-73.6	88.3	-179.7	-174.2	15.3	0	0	0	113.2	L399 S404 G407	L399-D402 WeakPolarHBondContact O-CB 3.41Å; L399-D402 PolarHBondContact O-N 2.99Å; D402-S404 VanDerWaalsContact C-N 3.29Å; D402-S404 WeakPolarHBondContact OD1-CA 3.18Å; D402-S404 WeakPolarHBondContact OD1-CB 3.4Å; D402-S404 PolarHBondContact OD1-N 3.5Å; D402-S404 PolarHBondContact OD1-OG 3.13Å; D402-S404 PolarHBondContact OD2-OG 3.22Å; D402-G407 WeakPolarHBondContact OD2-CA 3.49Å
403	K	75.3	Confident	85.3	Confident	107 Å²	107	56.9 Å²	56.9	47%	0.465	27%	0.273	S	S	.	.			trans	-82.5	4.7	167.9	-69.7	-173.7	176.3	179.7	0	113.5	E345 L400 P401	E345-K403 VanDerWaalsContact CD-NZ 3.32Å; E345-K403 IonicContact OE1-NZ 2.65Å; E345-K403 PolarHBondContact OE1-NZ 3.1Å; E345-K403 IonicContact OE2-NZ 2.94Å; E345-K403 PolarHBondContact OE2-NZ 3.14Å; L400-K403 HydrophobicContact CD2-CG 3.7Å; P401-K403 PolarHBondContact O-N 2.88Å
404	S	69.3	Low	85.3	Confident	46 Å²	46	59.6 Å²	59.6	32%	0.322	29%	0.285	S	S	.	.	S	Bend	trans	-63.8	164.7	-171	77.6	0	0	0	0	113.8	D402 Q406 G407 K408	D402-S404 VanDerWaalsContact C-N 3.29Å; D402-S404 WeakPolarHBondContact OD1-CA 3.18Å; D402-S404 WeakPolarHBondContact OD1-CB 3.4Å; D402-S404 PolarHBondContact OD1-N 3.5Å; D402-S404 PolarHBondContact OD1-OG 3.13Å; D402-S404 PolarHBondContact OD2-OG 3.22Å; S404-Q406 PolarHBondContact O-N 2.93Å; S404-Q406 PolarHBondContact OG-N 2.92Å; S404-G407 PolarHBondContact OG-N 3.06Å; S404-K408 PolarHBondContact O-N 3.23Å
405	R	67.5	Low	85.1	Confident	210 Å²	210	68.5 Å²	68.5	79%	0.792	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.7	174.7	-159.4	179.1	71.4	-168.5	-2.2	112.8
406	Q	67.2	Low	84.7	Confident	169 Å²	169	72.9 Å²	72.9	79%	0.79	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-36.2	179.8	-72.3	175.1	-22.5	0	0	112.4	S404 R409	S404-Q406 PolarHBondContact O-N 2.93Å; S404-Q406 PolarHBondContact OG-N 2.92Å; Q406-R409 PolarHBondContact O-NH1 2.68Å
407	G	72.9	Confident	84.5	Confident	6 Å²	6	73.8 Å²	73.8	6%	0.062	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.2	173.8	0	0	0	0	0	114.1	D402 S404 R409 Y428	D402-G407 WeakPolarHBondContact OD2-CA 3.49Å; S404-G407 PolarHBondContact OG-N 3.06Å; G407-R409 PolarHBondContact O-N 3.43Å; G407-R409 PolarHBondContact O-NH1 3.33Å; G407-Y428 WeakPolarHBondContact O-CE1 3.17Å; G407-Y428 PolarHBondContact O-OH 2.71Å; G407-Y428 VanDerWaalsContact O-OH 3.06Å
408	K	86.9	Confident	84.4	Confident	52 Å²	52	75.5 Å²	75.5	23%	0.226	36%	0.357	C	S	.	.			trans	-58.4	135.6	178.5	-178.1	169.4	64	-148.9	0	112.9	T397 Y398 S404	T397-K408 WeakPolarHBondContact O-CA 3.15Å; Y398-K408 HydrophobicContact CD1-CB 4.13Å; Y398-K408 HydrophobicContact CD1-CG 4.42Å; Y398-K408 HydrophobicContact CE1-CB 3.86Å; Y398-K408 HydrophobicContact CE1-CD 3.78Å; Y398-K408 HydrophobicContact CE1-CG 3.92Å; Y398-K408 HydrophobicContact CE2-CD 4.48Å; Y398-K408 WeakPolarHBondContact OH-CD 3.45Å; S404-K408 PolarHBondContact O-N 3.23Å
409	R	91.6	Very high	84.5	Confident	79 Å²	79	77.7 Å²	77.7	30%	0.298	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	166.7	161.3	-48	-82.1	175.8	-91.6	0.9	109.2	K396 T397 Q406 G407 F426 R427 Y428	K396-R409 WeakPolarHBondContact CA-O 3.41Å; T397-R409 PolarHBondContact N-O 3.39Å; T397-R409 PolarHBondContact O-N 3.49Å; T397-R409 WeakPolarHBondContact OG1-CB 3.21Å; Q406-R409 PolarHBondContact O-NH1 2.68Å; G407-R409 PolarHBondContact O-N 3.43Å; G407-R409 PolarHBondContact O-NH1 3.33Å; R409-F426 HydrophobicContact CB-CB 4.06Å; R409-F426 HydrophobicContact CB-CD1 3.93Å; R409-F426 HydrophobicContact CB-CD2 3.93Å; R409-F426 HydrophobicContact CB-CE1 4.44Å; R409-F426 HydrophobicContact CB-CE2 4.43Å; R409-F426 HydrophobicContact CB-CG 3.67Å; R409-F426 HydrophobicContact CG-CB 3.92Å; R409-F426 HydrophobicContact CG-CG 4.12Å; R409-R427 PolarHBondContact NE-O 2.91Å; R409-R427 PolarHBondContact NH2-O 2.92Å; R409-Y428 HydrophobicContact CG-CE1 4.46Å; R409-Y428 HydrophobicContact CG-CE2 3.6Å; R409-Y428 VanDerWaalsContact CG-OH 3.32Å; R409-Y428 WeakPolarHBondContact CG-OH 3.09Å
410	K	93.1	Very high	84.7	Confident	138 Å²	138	77.3 Å²	77.3	60%	0.6	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155	151	178.8	62.5	164	-168.1	166.5	0	111.5	V395 F426	V395-K410 CarbonylContact O-C 3.53Å; V395-K410 WeakPolarHBondContact O-CA 3.41Å; K410-F426 VanDerWaalsContact O-CE1 3.23Å; K410-F426 WeakPolarHBondContact O-CE1 3.41Å; K410-F426 VanDerWaalsContact O-CZ 3.22Å; K410-F426 WeakPolarHBondContact O-CZ 3.48Å
411	T	95.1	Very high	85.1	Confident	5 Å²	5	81 Å²	81	3%	0.031	39%	0.388	C	S	.	.			trans	-78.9	171.7	171.7	65	0	0	0	0	112	V375 V395 Y422 E424 F426	V375-T411 HydrophobicContact CB-CG2 4.32Å; V375-T411 HydrophobicContact CG1-CG2 4.08Å; V395-T411 HydrophobicContact CB-CG2 3.89Å; V395-T411 HydrophobicContact CG2-CG2 4.33Å; V395-T411 PolarHBondContact N-OG1 3.28Å; V395-T411 PolarHBondContact O-N 2.74Å; T411-Y422 HydrophobicContact CG2-CD1 3.8Å; T411-Y422 HydrophobicContact CG2-CD2 4.47Å; T411-Y422 HydrophobicContact CG2-CE1 4.31Å; T411-Y422 HydrophobicContact CG2-CG 3.88Å; T411-Y422 WeakPolarHBondContact OG1-CD1 3.38Å; T411-Y422 VanDerWaalsContact OG1-CE1 3.27Å; T411-Y422 WeakPolarHBondContact OG1-CE1 3.41Å; T411-E424 WeakPolarHBondContact CA-OE2 3.5Å; T411-E424 HydrophobicContact CG2-CB 4.49Å; T411-F426 HydrophobicContact CG2-CE2 4.11Å; T411-F426 HydrophobicContact CG2-CZ 3.78Å
412	S	92.8	Very high	85.9	Confident	52 Å²	52	76.5 Å²	76.5	36%	0.364	36%	0.358	S	S	.	.			trans	-60.9	161.7	155	71.6	0	0	0	0	111.7	K414 Y422 E424	S412-K414 WeakPolarHBondContact OG-CE 3.47Å; S412-Y422 WeakPolarHBondContact O-CE1 3.29Å; S412-E424 VanDerWaalsContact CB-OE1 3.24Å; S412-E424 WeakPolarHBondContact CB-OE1 3.26Å; S412-E424 VanDerWaalsContact N-CD 3.28Å; S412-E424 PolarHBondContact N-OE1 2.88Å; S412-E424 PolarHBondContact N-OE2 3.38Å; S412-E424 PolarHBondContact OG-OE1 3.22Å
413	I	92.6	Very high	86.9	Confident	70 Å²	70	78.8 Å²	78.8	36%	0.359	37%	0.37	S	S	.	.			trans	-97.8	115	179.4	-62.2	157.4	0	0	0	108.4	N392 Y394 H447	N392-I413 HydrophobicContact CB-CG2 4.27Å; Y394-I413 HydrophobicContact CD1-CG1 3.97Å; Y394-I413 HydrophobicContact CG-CG1 3.96Å; I413-H447 HydrophobicContact CD1-CB 4.07Å; I413-H447 HydrophobicContact CG1-CB 4.37Å; I413-H447 HydrophobicContact CG2-CB 3.84Å
414	K	92.9	Very high	87.8	Confident	56 Å²	56	75.8 Å²	75.8	24%	0.243	36%	0.358	C	S	.	.			trans	-82.7	153.7	170.6	-50.5	-68.3	161	147.2	0	108.3	N392 P393 S412 T417 P420 L421 Y422	N392-K414 CarbonylContact C-O 3.54Å; N392-K414 WeakPolarHBondContact CA-O 3.48Å; P393-K414 WeakPolarHBondContact CD-O 3.5Å; P393-K414 PolarHBondContact O-N 3.19Å; S412-K414 WeakPolarHBondContact OG-CE 3.47Å; K414-T417 HydrophobicContact CB-CG2 3.85Å; K414-P420 HydrophobicContact CB-CB 3.89Å; K414-P420 HydrophobicContact CG-CB 3.81Å; K414-L421 WeakPolarHBondContact CD-O 3.47Å; K414-L421 WeakPolarHBondContact CE-O 3.41Å; K414-L421 PolarHBondContact NZ-O 3.37Å; K414-Y422 HydrophobicContact CD-CD1 4.48Å; K414-Y422 HydrophobicContact CG-CD1 3.91Å; K414-Y422 HydrophobicContact CG-CE1 3.73Å; K414-Y422 PolarHBondContact NZ-O 3.32Å; K414-Y422 VanDerWaalsContact NZ-O 3.17Å
415	R	90.2	Very high	89	Confident	209 Å²	209	77.1 Å²	77.1	79%	0.789	36%	0.364	S	S	*	.			trans	-120.8	145.6	-172	-64.7	179.7	-179.5	174.3	0.9	111	N392 T417	N392-R415 WeakPolarHBondContact OD1-CA 3.41Å; R415-T417 VanDerWaalsContact C-N 3.27Å; R415-T417 PolarHBondContact O-N 3.36Å
416	D	86.9	Confident	90.3	Very high	92 Å²	92	68.2 Å²	68.2	49%	0.492	33%	0.331	S	S	.	.	S	Bend	trans	41.6	49.7	180	-73.5	-11.3	0	0	0	114.3	R390 S391 N392	R390-D416 IonicContact CZ-OD1 3.37Å; R390-D416 IonicContact CZ-OD2 3.62Å; R390-D416 VanDerWaalsContact CZ-OD2 3.29Å; R390-D416 IonicContact NE-OD1 3.04Å; R390-D416 PolarHBondContact NE-OD1 2.99Å; R390-D416 IonicContact NE-OD2 3.48Å; R390-D416 IonicContact NH2-OD1 2.78Å; R390-D416 PolarHBondContact NH2-OD1 3.18Å; R390-D416 IonicContact NH2-OD2 3.9Å; R390-D416 PolarHBondContact NH2-OD2 3.49Å; S391-D416 CarbonylContact O-C 3.54Å; S391-D416 VanDerWaalsContact O-CA 3.25Å; S391-D416 WeakPolarHBondContact O-CA 3.25Å; S391-D416 PolarHBondContact O-N 2.91Å; N392-D416 PolarHBondContact OD1-N 3.36Å
417	T	90.4	Very high	91.6	Very high	38 Å²	38	66.9 Å²	66.9	23%	0.233	32%	0.319	C	S	.	.			trans	-143.7	144.5	176.8	-175.9	0	0	0	0	112.3	S391 P393 K414 R415 N419 P420	S391-T417 WeakPolarHBondContact CB-O 3.45Å; S391-T417 PolarHBondContact O-N 3.32Å; P393-T417 VanDerWaalsContact CD-O 3.24Å; P393-T417 WeakPolarHBondContact CD-O 3.28Å; P393-T417 HydrophobicContact CG-CG2 4.16Å; P393-T417 WeakPolarHBondContact CG-O 3.26Å; K414-T417 HydrophobicContact CB-CG2 3.85Å; R415-T417 VanDerWaalsContact C-N 3.27Å; R415-T417 PolarHBondContact O-N 3.36Å; T417-N419 PolarHBondContact OG1-N 3.45Å; T417-N419 PolarHBondContact OG1-O 2.83Å; T417-N419 VanDerWaalsContact OG1-O 3.08Å; T417-P420 HydrophobicContact CG2-CB 3.94Å
418	I	90.3	Very high	92.4	Very high	35 Å²	35	67 Å²	67	18%	0.179	32%	0.318	C	S	.	.	S	Bend	trans	-102.4	-5.2	165.9	57.9	166.1	0	0	0	112.5	Q380 L381 Y383 P420	Q380-I418 PolarHBondContact N-O 2.88Å; L381-I418 HydrophobicContact CB-CB 4.24Å; L381-I418 WeakPolarHBondContact CB-O 3.22Å; L381-I418 WeakPolarHBondContact CG-O 3.37Å; L381-I418 PolarHBondContact N-O 3.06Å; L381-I418 VanDerWaalsContact O-CB 3.27Å; L381-I418 WeakPolarHBondContact O-CB 3.19Å; L381-I418 WeakPolarHBondContact O-CG2 3.32Å; Y383-I418 HydrophobicContact CD1-CG2 3.62Å; Y383-I418 HydrophobicContact CE1-CG2 3.43Å; Y383-I418 VanDerWaalsContact CE1-CG2 3.43Å; Y383-I418 HydrophobicContact CE2-CD1 4.44Å; Y383-I418 HydrophobicContact CG-CG2 4.29Å; I418-P420 WeakPolarHBondContact O-CD 3.42Å
419	N	92.4	Very high	92.6	Very high	71 Å²	71	72.8 Å²	72.8	38%	0.38	35%	0.345	S	S	.	.	S	Bend	trans	-121.4	70.1	174.9	-59.6	-39.4	0	0	0	109.3	C378 H379 Q380 T417 L421	C378-N419 CarbonylContact O-C 3.54Å; C378-N419 VanDerWaalsContact O-CA 3.26Å; C378-N419 WeakPolarHBondContact O-CA 3.38Å; H379-N419 WeakPolarHBondContact CA-OD1 3.4Å; Q380-N419 PolarHBondContact N-OD1 2.98Å; T417-N419 PolarHBondContact OG1-N 3.45Å; T417-N419 PolarHBondContact OG1-O 2.83Å; T417-N419 VanDerWaalsContact OG1-O 3.08Å; N419-L421 PolarHBondContact O-N 2.83Å
420	P	93	Very high	92.3	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.006	34%	0.337	C	S	.	.			trans	-78.7	113.5	-178.7	31.3	-37.4	0	0	0	112.5	E377 C378 L381 P393 K414 T417 I418 Y422	E377-P420 CarbonylContact C-O 3.57Å; E377-P420 WeakPolarHBondContact CA-O 3.27Å; E377-P420 WeakPolarHBondContact CB-O 3.38Å; C378-P420 HydrophobicContact CB-CG 3.86Å; C378-P420 PolarHBondContact N-O 3.46Å; C378-P420 VanDerWaalsContact O-CD 3.28Å; C378-P420 WeakPolarHBondContact O-CD 3.48Å; L381-P420 HydrophobicContact CD1-CG 3.65Å; P393-P420 HydrophobicContact CB-CG 4.06Å; P393-P420 HydrophobicContact CG-CB 3.57Å; P393-P420 HydrophobicContact CG-CG 3.48Å; P393-P420 VanDerWaalsContact CG-CG 3.48Å; K414-P420 HydrophobicContact CB-CB 3.89Å; K414-P420 HydrophobicContact CG-CB 3.81Å; T417-P420 HydrophobicContact CG2-CB 3.94Å; I418-P420 WeakPolarHBondContact O-CD 3.42Å; P420-Y422 HydrophobicContact CB-CD2 4.48Å; P420-Y422 HydrophobicContact CB-CE1 4.15Å; P420-Y422 HydrophobicContact CB-CE2 3.77Å; P420-Y422 HydrophobicContact CG-CE2 3.62Å; P420-Y422 WeakPolarHBondContact CG-OH 3.24Å; P420-Y422 WeakPolarHBondContact O-CD2 3.4Å; P420-Y422 WeakPolarHBondContact O-CE2 3.24Å
421	L	95.1	Very high	92.1	Very high	104 Å²	104	65.2 Å²	65.2	55%	0.545	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118	162.7	-173.3	147.4	0	0	0	109.5	E377 K414 N419 D423	E377-L421 HydrophobicContact CB-CB 4.35Å; K414-L421 WeakPolarHBondContact CD-O 3.47Å; K414-L421 WeakPolarHBondContact CE-O 3.41Å; K414-L421 PolarHBondContact NZ-O 3.37Å; N419-L421 PolarHBondContact O-N 2.83Å; L421-D423 HydrophobicContact CD2-CB 4.02Å
422	Y	94.8	Very high	91.5	Very high	8 Å²	8	68.4 Å²	68.4	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-58.6	178.5	-62	-75.7	0	0	0	111.5	V375 K376 P393 Y394 V395 T411 S412 K414 P420	V375-Y422 HydrophobicContact CG1-CD2 3.89Å; V375-Y422 HydrophobicContact CG1-CG 4.35Å; K376-Y422 PolarHBondContact O-N 3.18Å; P393-Y422 VanDerWaalsContact C-OH 3.28Å; P393-Y422 WeakPolarHBondContact CB-OH 3.49Å; P393-Y422 PolarHBondContact O-OH 3.41Å; Y394-Y422 WeakPolarHBondContact CA-OH 3.34Å; Y394-Y422 PolarHBondContact N-OH 3.45Å; V395-Y422 HydrophobicContact CG2-CD2 4.25Å; V395-Y422 HydrophobicContact CG2-CE2 3.59Å; T411-Y422 HydrophobicContact CG2-CD1 3.8Å; T411-Y422 HydrophobicContact CG2-CD2 4.47Å; T411-Y422 HydrophobicContact CG2-CE1 4.31Å; T411-Y422 HydrophobicContact CG2-CG 3.88Å; T411-Y422 WeakPolarHBondContact OG1-CD1 3.38Å; T411-Y422 VanDerWaalsContact OG1-CE1 3.27Å; T411-Y422 WeakPolarHBondContact OG1-CE1 3.41Å; S412-Y422 WeakPolarHBondContact O-CE1 3.29Å; K414-Y422 HydrophobicContact CD-CD1 4.48Å; K414-Y422 HydrophobicContact CG-CD1 3.91Å; K414-Y422 HydrophobicContact CG-CE1 3.73Å; K414-Y422 PolarHBondContact NZ-O 3.32Å; K414-Y422 VanDerWaalsContact NZ-O 3.17Å; P420-Y422 HydrophobicContact CB-CD2 4.48Å; P420-Y422 HydrophobicContact CB-CE1 4.15Å; P420-Y422 HydrophobicContact CB-CE2 3.77Å; P420-Y422 HydrophobicContact CG-CE2 3.62Å; P420-Y422 WeakPolarHBondContact CG-OH 3.24Å; P420-Y422 WeakPolarHBondContact O-CD2 3.4Å; P420-Y422 WeakPolarHBondContact O-CE2 3.24Å
423	D	93.6	Very high	91	Very high	106 Å²	106	70.1 Å²	70.1	57%	0.567	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.9	48.7	-170.7	-159.8	29	0	0	0	113.3	H374 V375 K376 L421	H374-D423 IonicContact CD2-OD1 2.67Å; H374-D423 IonicContact CE1-OD1 2.67Å; H374-D423 PolarHBondContact CE1-OD1 3.16Å; H374-D423 VanDerWaalsContact CE1-OD1 3.32Å; H374-D423 IonicContact NE2-OD1 3.61Å; H374-D423 PolarHBondContact NE2-OD1 3.41Å; V375-D423 PolarHBondContact O-N 2.88Å; K376-D423 PolarHBondContact O-N 2.81Å; L421-D423 HydrophobicContact CD2-CB 4.02Å
424	E	95.5	Very high	90.5	Very high	44 Å²	44	70.4 Å²	70.4	21%	0.206	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.4	-172.5	-70.9	177.4	-119.5	0	0	112.1	V375 T411 S412 F426	V375-E424 PolarHBondContact N-O 2.94Å; V375-E424 PolarHBondContact O-N 3.04Å; T411-E424 WeakPolarHBondContact CA-OE2 3.5Å; T411-E424 HydrophobicContact CG2-CB 4.49Å; S412-E424 VanDerWaalsContact CB-OE1 3.24Å; S412-E424 WeakPolarHBondContact CB-OE1 3.26Å; S412-E424 VanDerWaalsContact N-CD 3.28Å; S412-E424 PolarHBondContact N-OE1 2.88Å; S412-E424 PolarHBondContact N-OE2 3.38Å; S412-E424 PolarHBondContact OG-OE1 3.22Å; E424-F426 HydrophobicContact CB-CE1 4.45Å; E424-F426 HydrophobicContact CB-CZ 4.26Å
425	T	94.8	Very high	90.1	Very high	75 Å²	75	68.1 Å²	68.1	46%	0.46	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127	-177.2	-64	0	0	0	0	112	I372 I373 H374	I372-T425 HydrophobicContact CG2-CG2 3.42Å; I372-T425 VanDerWaalsContact CG2-CG2 3.42Å; I373-T425 CarbonylContact O-C 3.56Å; I373-T425 WeakPolarHBondContact O-CA 3.39Å; H374-T425 PolarHBondContact CD2-OG1 2.63Å; H374-T425 VanDerWaalsContact CD2-OG1 3.28Å
426	F	94.8	Very high	89.7	Confident	23 Å²	23	60.4 Å²	60.4	10%	0.101	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	159.8	174.6	-50.5	-48.7	0	0	0	111.9	I372 I373 V375 T397 R409 K410 T411 E424 Y428	I372-F426 WeakPolarHBondContact CA-O 3.35Å; I373-F426 HydrophobicContact CB-CB 4.49Å; I373-F426 PolarHBondContact N-O 3.43Å; I373-F426 PolarHBondContact O-N 2.66Å; V375-F426 HydrophobicContact CG2-CD2 4.3Å; V375-F426 HydrophobicContact CG2-CE2 3.88Å; T397-F426 HydrophobicContact CG2-CD2 4.23Å; T397-F426 HydrophobicContact CG2-CE2 4.33Å; R409-F426 HydrophobicContact CB-CB 4.06Å; R409-F426 HydrophobicContact CB-CD1 3.93Å; R409-F426 HydrophobicContact CB-CD2 3.93Å; R409-F426 HydrophobicContact CB-CE1 4.44Å; R409-F426 HydrophobicContact CB-CE2 4.43Å; R409-F426 HydrophobicContact CB-CG 3.67Å; R409-F426 HydrophobicContact CG-CB 3.92Å; R409-F426 HydrophobicContact CG-CG 4.12Å; K410-F426 VanDerWaalsContact O-CE1 3.23Å; K410-F426 WeakPolarHBondContact O-CE1 3.41Å; K410-F426 VanDerWaalsContact O-CZ 3.22Å; K410-F426 WeakPolarHBondContact O-CZ 3.48Å; T411-F426 HydrophobicContact CG2-CE2 4.11Å; T411-F426 HydrophobicContact CG2-CZ 3.78Å; E424-F426 HydrophobicContact CB-CE1 4.45Å; E424-F426 HydrophobicContact CB-CZ 4.26Å; F426-Y428 HydrophobicContact CB-CE2 4.49Å
427	R	93.3	Very high	89.4	Confident	140 Å²	140	63 Å²	63	53%	0.528	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142	176.3	-60.5	-177.3	-175.4	-107.8	1.7	111.2	L371 I372 R409	L371-R427 WeakPolarHBondContact O-CA 3.31Å; I372-R427 HydrophobicContact CG1-CG 4.47Å; R409-R427 PolarHBondContact NE-O 2.91Å; R409-R427 PolarHBondContact NH2-O 2.92Å
428	Y	90.6	Very high	89.1	Confident	10 Å²	10	64.3 Å²	64.3	4%	0.039	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.9	173.7	-73.7	-100.7	0	0	0	108.2	T370 L371 I373 T397 L399 G407 R409 F426	T370-Y428 CarbonylContact C-O 3.47Å; T370-Y428 VanDerWaalsContact CA-O 3.25Å; T370-Y428 WeakPolarHBondContact CA-O 3.42Å; L371-Y428 PolarHBondContact N-O 3.25Å; L371-Y428 PolarHBondContact O-N 2.94Å; I373-Y428 HydrophobicContact CD1-CD2 3.6Å; I373-Y428 HydrophobicContact CD1-CE2 3.52Å; I373-Y428 HydrophobicContact CG1-CD2 4.26Å; I373-Y428 HydrophobicContact CG1-CE2 4.48Å; T397-Y428 VanDerWaalsContact C-OH 3.29Å; T397-Y428 PolarHBondContact O-OH 2.66Å; T397-Y428 PolarHBondContact OG1-OH 3.05Å; L399-Y428 HydrophobicContact CB-CD1 3.9Å; L399-Y428 HydrophobicContact CB-CE1 3.79Å; L399-Y428 HydrophobicContact CD2-CD1 3.92Å; L399-Y428 HydrophobicContact CD2-CG 4.29Å; G407-Y428 WeakPolarHBondContact O-CE1 3.17Å; G407-Y428 PolarHBondContact O-OH 2.71Å; G407-Y428 VanDerWaalsContact O-OH 3.06Å; R409-Y428 HydrophobicContact CG-CE1 4.46Å; R409-Y428 HydrophobicContact CG-CE2 3.6Å; R409-Y428 VanDerWaalsContact CG-OH 3.32Å; R409-Y428 WeakPolarHBondContact CG-OH 3.09Å; F426-Y428 HydrophobicContact CB-CE2 4.49Å
429	E	90.1	Very high	89.1	Confident	172 Å²	172	63.8 Å²	63.8	80%	0.804	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.4	172.4	-73	148.1	-137.6	0	0	108.2	T370	T370-E429 HydrophobicContact CG2-CG 3.7Å
430	I	86.4	Confident	89	Confident	23 Å²	23	60.4 Å²	60.4	12%	0.118	31%	0.31	C	S	.	.			trans	-161.4	138.1	-176.8	-173.8	166.6	0	0	0	110.1	F364 Q369 L371 L399 L434 L435 R438	F364-I430 WeakPolarHBondContact CE2-O 3.11Å; Q369-I430 CarbonylContact C-O 3.55Å; Q369-I430 CarbonylContact O-C 3.53Å; Q369-I430 PolarHBondContact O-N 2.95Å; L371-I430 HydrophobicContact CB-CG2 4.34Å; L399-I430 HydrophobicContact CD2-CD1 3.72Å; L399-I430 HydrophobicContact CD2-CG2 4.18Å; I430-L434 HydrophobicContact CD1-CB 4.12Å; I430-L434 HydrophobicContact CG1-CB 3.91Å; I430-L435 HydrophobicContact CD1-CB 4.46Å; I430-L435 HydrophobicContact CG2-CB 4.35Å; I430-L435 HydrophobicContact CG2-CD1 4.14Å; I430-R438 HydrophobicContact CD1-CG 3.76Å
431	S	87.4	Confident	89	Confident	35 Å²	35	61.4 Å²	61.4	25%	0.245	32%	0.315	C	S	.	.			trans	-70.4	148.1	176.2	68.2	0	0	0	0	111.9	S433 L434 L435	S431-S433 PolarHBondContact O-N 2.69Å; S431-S433 PolarHBondContact OG-OG 2.77Å; S431-L434 PolarHBondContact O-N 2.88Å; S431-L434 WeakPolarHBondContact OG-CG 3.35Å; S431-L434 PolarHBondContact OG-N 3.41Å; S431-L435 WeakPolarHBondContact O-CB 3.24Å; S431-L435 PolarHBondContact O-N 3.08Å
432	E	83.7	Confident	88.9	Confident	72 Å²	72	56.5 Å²	56.5	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-56.2	-39.1	-179.8	-163.5	170	166.7	0	0	112.5	F364 Q366 L434 L435 A436	F364-E432 HydrophobicContact CD1-CG 4.4Å; F364-E432 HydrophobicContact CE1-CB 3.71Å; F364-E432 HydrophobicContact CE1-CG 3.86Å; F364-E432 HydrophobicContact CZ-CB 3.87Å; F364-E432 HydrophobicContact CZ-CG 4.4Å; Q366-E432 WeakPolarHBondContact CG-OE2 3.43Å; Q366-E432 PolarHBondContact NE2-OE2 2.72Å; E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 3.26Å; E432-L435 PolarHBondContact O-N 3.05Å; E432-A436 PolarHBondContact O-N 2.77Å
433	S	81.3	Confident	88.8	Confident	88 Å²	88	56.2 Å²	56.2	62%	0.615	29%	0.288	S	S	*	.	H	α-helix	trans	-61.7	-35.1	174.6	52.7	0	0	0	0	114.3	S431	S431-S433 PolarHBondContact O-N 2.69Å; S431-S433 PolarHBondContact OG-OG 2.77Å
434	L	83	Confident	88.8	Confident	77 Å²	77	51.2 Å²	51.2	40%	0.403	26%	0.261	S	S	.	.	H	α-helix	trans	-86.4	-29.2	177	-70.1	175.9	0	0	0	111.6	I430 S431 E432 A436 Q437 R438	I430-L434 HydrophobicContact CD1-CB 4.12Å; I430-L434 HydrophobicContact CG1-CB 3.91Å; S431-L434 PolarHBondContact O-N 2.88Å; S431-L434 WeakPolarHBondContact OG-CG 3.35Å; S431-L434 PolarHBondContact OG-N 3.41Å; E432-L434 VanDerWaalsContact C-N 3.34Å; E432-L434 PolarHBondContact O-N 3.26Å; L434-A436 PolarHBondContact O-N 2.99Å; L434-Q437 PolarHBondContact O-N 2.61Å; L434-R438 WeakPolarHBondContact O-CG 3.11Å
435	L	85.1	Confident	88.6	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-46.7	-178.8	177	60	0	0	0	111.3	F364 L371 L399 I430 S431 E432 Q437 R438 M463 L468	F364-L435 HydrophobicContact CD2-CD2 3.6Å; F364-L435 HydrophobicContact CE2-CD2 3.87Å; F364-L435 HydrophobicContact CG-CD2 4.18Å; L371-L435 HydrophobicContact CD2-CD1 3.96Å; L399-L435 HydrophobicContact CD1-CD1 4.49Å; I430-L435 HydrophobicContact CD1-CB 4.46Å; I430-L435 HydrophobicContact CG2-CB 4.35Å; I430-L435 HydrophobicContact CG2-CD1 4.14Å; S431-L435 WeakPolarHBondContact O-CB 3.24Å; S431-L435 PolarHBondContact O-N 3.08Å; E432-L435 PolarHBondContact O-N 3.05Å; L435-Q437 PolarHBondContact O-N 3.24Å; L435-R438 WeakPolarHBondContact O-CB 3.45Å; L435-R438 PolarHBondContact O-N 3.03Å; L435-M463 HydrophobicContact CD1-CB 4.19Å; L435-M463 HydrophobicContact CD1-CG 3.78Å; L435-M463 HydrophobicContact CD1-SD 3.82Å; L435-M463 HydrophobicContact CG-CB 4.22Å; L435-M463 HydrophobicContact CG-CG 4.35Å; L435-M463 WeakPolarHBondContact O-CB 3.37Å; L435-L468 HydrophobicContact CD2-CD1 4.41Å
436	A	81.1	Confident	88.3	Confident	46 Å²	46	46.9 Å²	46.9	38%	0.38	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.5	179	0	0	0	0	0	113.8	E432 L434 R438 D464	E432-A436 PolarHBondContact O-N 2.77Å; L434-A436 PolarHBondContact O-N 2.99Å; A436-R438 VanDerWaalsContact C-N 3.32Å; A436-R438 PolarHBondContact O-N 2.94Å; A436-D464 PolarHBondContact O-N 3.02Å
437	Q	81.3	Confident	87.9	Confident	148 Å²	148	49.2 Å²	49.2	69%	0.692	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	13.6	179	-58.8	-179	-9.7	0	0	113.6	L434 L435	L434-Q437 PolarHBondContact O-N 2.61Å; L435-Q437 PolarHBondContact O-N 3.24Å
438	R	84.5	Confident	87	Confident	65 Å²	65	43.2 Å²	43.2	25%	0.245	23%	0.228	C	C	.	.			trans	-116.2	154.7	-177.1	-56.7	-64.3	166.9	142.9	-10.2	112.3	L399 L400 I430 L434 L435 A436 M463	L399-R438 HydrophobicContact CD1-CB 3.65Å; L399-R438 HydrophobicContact CD1-CG 4.31Å; L399-R438 HydrophobicContact CG-CB 3.9Å; L399-R438 HydrophobicContact CG-CG 4.06Å; L400-R438 WeakPolarHBondContact O-CA 3.47Å; L400-R438 WeakPolarHBondContact O-CB 3.41Å; L400-R438 WeakPolarHBondContact O-CD 3.46Å; I430-R438 HydrophobicContact CD1-CG 3.76Å; L434-R438 WeakPolarHBondContact O-CG 3.11Å; L435-R438 WeakPolarHBondContact O-CB 3.45Å; L435-R438 PolarHBondContact O-N 3.03Å; A436-R438 VanDerWaalsContact C-N 3.32Å; A436-R438 PolarHBondContact O-N 2.94Å; R438-M463 HydrophobicContact CB-CG 4.37Å; R438-M463 WeakPolarHBondContact O-CB 3.49Å; R438-M463 WeakPolarHBondContact O-CG 3.45Å; R438-M463 PolarHBondContact O-N 3.45Å; R438-M463 VanDerWaalsContact O-N 3.11Å
439	T	88.5	Confident	85.5	Confident	24 Å²	24	50.6 Å²	50.6	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.6	168	-55.3	0	0	0	0	109	L400 E460 V461 H462	L400-T439 WeakPolarHBondContact CB-O 3.31Å; L400-T439 PolarHBondContact N-O 3.02Å; L400-T439 PolarHBondContact O-N 3.24Å; T439-E460 HydrophobicContact CG2-CB 3.86Å; T439-E460 HydrophobicContact CG2-CG 4.49Å; T439-V461 CarbonylContact C-O 3.59Å; T439-V461 WeakPolarHBondContact CA-O 3.05Å; T439-H462 PolarHBondContact OG1-ND1 2.99Å
440	L	91.3	Very high	83.6	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	111.4	172.2	169.3	58.2	0	0	0	109	L362 I373 L399 F442 E460 V461 M463	L362-L440 HydrophobicContact CD1-CD2 3.84Å; L362-L440 HydrophobicContact CD2-CD2 3.57Å; L362-L440 HydrophobicContact CG-CD2 4.4Å; I373-L440 HydrophobicContact CD1-CD1 3.57Å; I373-L440 HydrophobicContact CD1-CD2 3.73Å; I373-L440 HydrophobicContact CD1-CG 4.31Å; I373-L440 HydrophobicContact CG1-CD2 4.39Å; I373-L440 HydrophobicContact CG2-CD2 4.44Å; L399-L440 HydrophobicContact CD1-CB 4.36Å; L440-F442 HydrophobicContact CD2-CE2 3.68Å; L440-F442 HydrophobicContact CD2-CZ 3.64Å; L440-F442 HydrophobicContact CG-CD2 4.31Å; L440-F442 HydrophobicContact CG-CE2 3.77Å; L440-F442 HydrophobicContact CG-CZ 4.05Å; L440-E460 CarbonylContact O-C 3.16Å; L440-E460 WeakPolarHBondContact O-CA 3.38Å; L440-V461 HydrophobicContact CB-CB 4.33Å; L440-V461 PolarHBondContact N-O 3.24Å; L440-V461 PolarHBondContact O-N 2.92Å; L440-M463 HydrophobicContact CB-CE 3.94Å; L440-M463 HydrophobicContact CB-SD 4.25Å; L440-M463 HydrophobicContact CD2-CE 4.46Å
441	Q	92.6	Very high	82	Confident	22 Å²	22	51.9 Å²	51.9	10%	0.103	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.6	176	-179.7	-174.4	93	0	0	110.3	T397 Y398 L400 E460	T397-Q441 VanDerWaalsContact CA-O 3.31Å; T397-Q441 WeakPolarHBondContact CA-O 3.4Å; Y398-Q441 PolarHBondContact N-O 2.94Å; Y398-Q441 PolarHBondContact O-N 3.22Å; L400-Q441 HydrophobicContact CD1-CB 4Å; L400-Q441 HydrophobicContact CG-CB 4.18Å; Q441-E460 HydrophobicContact CB-CG 4.32Å; Q441-E460 HydrophobicContact CG-CG 4.18Å; Q441-E460 WeakPolarHBondContact CG-OE1 3.01Å; Q441-E460 PolarHBondContact NE2-OE1 2.87Å
442	F	94.3	Very high	80.9	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.1	164.9	-62.2	-88.9	0	0	0	109.3	I358 F360 L362 I373 V375 V395 T397 L440 E458 A459 V461	I358-F442 HydrophobicContact CD1-CB 3.89Å; I358-F442 HydrophobicContact CD1-CD1 3.67Å; I358-F442 HydrophobicContact CD1-CE1 4.41Å; I358-F442 HydrophobicContact CD1-CG 3.9Å; F360-F442 HydrophobicContact CB-CE1 4.34Å; F360-F442 HydrophobicContact CB-CZ 4.15Å; F360-F442 AromaticContact CD1-CE2 3.98Å; F360-F442 HydrophobicContact CD1-CE2 3.98Å; F360-F442 AromaticContact CD1-CZ 3.95Å; F360-F442 HydrophobicContact CD1-CZ 3.95Å; F360-F442 AromaticContact CD2-CE2 3.97Å; F360-F442 HydrophobicContact CD2-CE2 3.97Å; F360-F442 AromaticContact CD2-CZ 3.58Å; F360-F442 HydrophobicContact CD2-CZ 3.58Å; F360-F442 HydrophobicContact CE1-CD2 4.37Å; F360-F442 AromaticContact CE1-CE2 3.83Å; F360-F442 HydrophobicContact CE1-CE2 3.83Å; F360-F442 HydrophobicContact CE1-CZ 4.25Å; F360-F442 AromaticContact CE2-CE2 3.81Å; F360-F442 HydrophobicContact CE2-CE2 3.81Å; F360-F442 AromaticContact CE2-CZ 3.91Å; F360-F442 HydrophobicContact CE2-CZ 3.91Å; F360-F442 HydrophobicContact CG-CE1 4.22Å; F360-F442 HydrophobicContact CG-CE2 4.05Å; F360-F442 AromaticContact CG-CZ 3.61Å; F360-F442 HydrophobicContact CG-CZ 3.61Å; F360-F442 AromaticContact CZ-CE2 3.75Å; F360-F442 HydrophobicContact CZ-CE2 3.75Å; F360-F442 HydrophobicContact CZ-CZ 4.24Å; L362-F442 HydrophobicContact CD2-CZ 4.36Å; I373-F442 HydrophobicContact CG2-CE1 3.81Å; I373-F442 HydrophobicContact CG2-CZ 3.91Å; V375-F442 HydrophobicContact CG2-CD1 4.38Å; V375-F442 HydrophobicContact CG2-CE1 3.95Å; V395-F442 HydrophobicContact CG1-CB 4.31Å; V395-F442 HydrophobicContact CG1-CD1 4.21Å; T397-F442 HydrophobicContact CG2-CD1 3.54Å; T397-F442 HydrophobicContact CG2-CE1 3.77Å; T397-F442 HydrophobicContact CG2-CG 4.46Å; L440-F442 HydrophobicContact CD2-CE2 3.68Å; L440-F442 HydrophobicContact CD2-CZ 3.64Å; L440-F442 HydrophobicContact CG-CD2 4.31Å; L440-F442 HydrophobicContact CG-CE2 3.77Å; L440-F442 HydrophobicContact CG-CZ 4.05Å; F442-E458 CarbonylContact O-C 3.55Å; F442-E458 WeakPolarHBondContact O-CA 3.3Å; F442-E458 WeakPolarHBondContact O-CB 3.49Å; F442-A459 PolarHBondContact N-O 3.04Å; F442-A459 PolarHBondContact O-N 3.36Å; F442-V461 HydrophobicContact CD2-CG2 4.35Å; F442-V461 HydrophobicContact CE2-CG2 3.9Å
443	S	92.2	Very high	80.5	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121	-178.6	-168.5	0	0	0	0	110	K396 W445	K396-S443 PolarHBondContact N-O 3.02Å; K396-S443 PolarHBondContact O-N 3.46Å; S443-W445 VanDerWaalsContact O-CD1 3.27Å; S443-W445 PolarHBondContact OG-NE1 3.22Å
444	V	93.8	Very high	80.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.2	-170	-167.9	0	0	0	0	110.7	L381 V395 L456 G457 L478	L381-V444 HydrophobicContact CD1-CG1 4.01Å; L381-V444 HydrophobicContact CD2-CG1 4.22Å; V395-V444 HydrophobicContact CG2-CG2 4.24Å; V444-L456 HydrophobicContact CB-CB 4.29Å; V444-L456 HydrophobicContact CG1-CB 4.11Å; V444-L456 HydrophobicContact CG1-CD1 4.45Å; V444-L456 PolarHBondContact O-N 2.84Å; V444-G457 WeakPolarHBondContact CA-O 3.48Å; V444-G457 WeakPolarHBondContact CB-O 3.27Å; V444-G457 PolarHBondContact N-O 3.36Å; V444-L478 HydrophobicContact CB-CD1 4.41Å; V444-L478 HydrophobicContact CG2-CD1 3.88Å; V444-L478 HydrophobicContact CG2-CD2 3.7Å; V444-L478 HydrophobicContact CG2-CG 4.49Å
445	W	91.4	Very high	80.7	Confident	12 Å²	12	51.3 Å²	51.3	5%	0.045	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.6	-170.4	-65.6	76.5	0	0	0	112	P393 Y394 K396 S443 N453 T454 F455	P393-W445 CarbonylContact C-O 3.52Å; P393-W445 VanDerWaalsContact CA-O 3.31Å; P393-W445 WeakPolarHBondContact CA-O 3.43Å; Y394-W445 HydrophobicContact CD1-CB 4.07Å; Y394-W445 WeakPolarHBondContact CD1-O 3.46Å; Y394-W445 HydrophobicContact CE1-CB 3.51Å; Y394-W445 HydrophobicContact CE2-CB 4.24Å; Y394-W445 PolarHBondContact N-O 3.41Å; Y394-W445 PolarHBondContact O-N 3.36Å; K396-W445 HydrophobicContact CD-CG 4.47Å; S443-W445 VanDerWaalsContact O-CD1 3.27Å; S443-W445 PolarHBondContact OG-NE1 3.22Å; W445-N453 HydrophobicContact CE3-CB 4.16Å; W445-T454 CarbonylContact C-O 3.52Å; W445-T454 WeakPolarHBondContact CA-O 3.34Å; W445-F455 HydrophobicContact CD2-CD2 4.47Å; W445-F455 AromaticContact CE2-CD2 3.84Å; W445-F455 HydrophobicContact CE3-CB 4.33Å; W445-F455 HydrophobicContact CH2-CB 4.22Å; W445-F455 HydrophobicContact CH2-CD2 4.17Å; W445-F455 AromaticContact CZ2-CD2 3.7Å; W445-F455 HydrophobicContact CZ2-CD2 3.7Å; W445-F455 HydrophobicContact CZ3-CB 4.11Å
446	H	88.1	Confident	80.7	Confident	16 Å²	16	50.9 Å²	50.9	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.5	164.3	176.1	105.9	0	0	0	110.2	A384 S391 N392 G448 N453 T454 L456	A384-H446 HydrophobicContact CB-CB 3.56Å; A384-H446 WeakPolarHBondContact CB-ND1 3.5Å; S391-H446 WeakPolarHBondContact CA-ND1 3.34Å; N392-H446 PolarHBondContact N-ND1 3.37Å; N392-H446 VanDerWaalsContact N-ND1 3.15Å; N392-H446 PolarHBondContact ND2-CE1 3Å; H446-G448 PolarHBondContact CD2-N 2.93Å; H446-G448 VanDerWaalsContact CD2-N 3.27Å; H446-N453 CarbonylContact O-C 3.56Å; H446-N453 VanDerWaalsContact O-CA 3.24Å; H446-N453 WeakPolarHBondContact O-CA 3.4Å; H446-N453 WeakPolarHBondContact O-CB 3.43Å; H446-T454 PolarHBondContact N-O 3.43Å; H446-T454 PolarHBondContact O-N 2.84Å; H446-T454 VanDerWaalsContact O-N 3.1Å; H446-L456 HydrophobicContact CB-CD1 3.99Å; H446-L456 HydrophobicContact CB-CD2 4.39Å; H446-L456 HydrophobicContact CB-CG 4.11Å
447	H	85.2	Confident	80.9	Confident	73 Å²	73	48.7 Å²	48.7	34%	0.338	23%	0.229	S	C	.	.			trans	-88.4	105.6	167.5	-175.3	43.5	0	0	0	112.2	N392 Y394 I413 N453	N392-H447 HydrophobicContact CB-CB 4.4Å; N392-H447 WeakPolarHBondContact CB-O 3.37Å; N392-H447 PolarHBondContact ND2-O 2.71Å; N392-H447 VanDerWaalsContact ND2-O 3.15Å; N392-H447 PolarHBondContact O-N 2.88Å; Y394-H447 HydrophobicContact CD1-CB 4.12Å; Y394-H447 HydrophobicContact CE1-CB 4.08Å; I413-H447 HydrophobicContact CD1-CB 4.07Å; I413-H447 HydrophobicContact CG1-CB 4.37Å; I413-H447 HydrophobicContact CG2-CB 3.84Å; H447-N453 WeakPolarHBondContact CA-OD1 3.42Å; H447-N453 PolarHBondContact ND1-OD1 2.89Å
448	G	76.4	Confident	81.4	Confident	13 Å²	13	42 Å²	42	13%	0.134	20%	0.197	C	C	.	.			trans	-79.1	123.6	178.7	0	0	0	0	0	111.5	H446 F450	H446-G448 PolarHBondContact CD2-N 2.93Å; H446-G448 VanDerWaalsContact CD2-N 3.27Å; G448-F450 PolarHBondContact O-N 2.75Å
449	R	57.8	Low	81.6	Confident	165 Å²	165	38.9 Å²	38.9	62%	0.623	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.5	178.6	-76.6	-163	-102.9	178.1	-8.4	113.9
450	F	49.8	Very low	81.7	Confident	180 Å²	180	41.1 Å²	41.1	79%	0.789	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.1	29.3	-175.3	-55.2	-72.4	0	0	0	112.3	G448	G448-F450 PolarHBondContact O-N 2.75Å
451	G	53.7	Low	81.5	Confident	43 Å²	43	41.8 Å²	41.8	44%	0.443	20%	0.198	S	C	.	.	S	Bend	trans	-153.9	-180	-173.5	0	0	0	0	0	113.1
452	R	63.6	Low	81.1	Confident	163 Å²	163	45.5 Å²	45.5	62%	0.615	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-59.6	148.4	171.1	-65.2	-178.7	179.8	171.5	0.4	109.1	M340 D348 T454	M340-R452 HydrophobicContact CE-CB 4.19Å; M340-R452 HydrophobicContact CE-CG 4.16Å; D348-R452 IonicContact OD2-CZ 3.64Å; D348-R452 IonicContact OD2-NH1 3.09Å; D348-R452 PolarHBondContact OD2-NH1 3.36Å; D348-R452 IonicContact OD2-NH2 3.51Å; R452-T454 PolarHBondContact O-N 3.15Å
453	N	76.5	Confident	80.6	Confident	41 Å²	41	46.2 Å²	46.2	22%	0.219	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.6	125.3	166.3	-66.4	-39.5	0	0	0	108	Y394 W445 H446 H447	Y394-N453 PolarHBondContact OH-ND2 2.73Å; W445-N453 HydrophobicContact CE3-CB 4.16Å; H446-N453 CarbonylContact O-C 3.56Å; H446-N453 VanDerWaalsContact O-CA 3.24Å; H446-N453 WeakPolarHBondContact O-CA 3.4Å; H446-N453 WeakPolarHBondContact O-CB 3.43Å; H447-N453 WeakPolarHBondContact CA-OD1 3.42Å; H447-N453 PolarHBondContact ND1-OD1 2.89Å
454	T	82.1	Confident	79.9	Confident	39 Å²	39	51.4 Å²	51.4	24%	0.239	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.2	-174	-44.8	0	0	0	0	109.9	I352 A384 W445 H446 R452	I352-T454 HydrophobicContact CD1-CG2 3.28Å; A384-T454 HydrophobicContact CB-CG2 4.37Å; W445-T454 CarbonylContact C-O 3.52Å; W445-T454 WeakPolarHBondContact CA-O 3.34Å; H446-T454 PolarHBondContact N-O 3.43Å; H446-T454 PolarHBondContact O-N 2.84Å; H446-T454 VanDerWaalsContact O-N 3.1Å; R452-T454 PolarHBondContact O-N 3.15Å
455	F	86.2	Confident	78.4	Confident	16 Å²	16	55.6 Å²	55.6	7%	0.07	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.6	175.3	-179.4	-99.6	0	0	0	110.3	F349 V354 W445 G457 E458 K481	F349-F455 HydrophobicContact CD1-CB 4.33Å; V354-F455 HydrophobicContact CG2-CD1 4.27Å; V354-F455 HydrophobicContact CG2-CE1 4.02Å; W445-F455 HydrophobicContact CD2-CD2 4.47Å; W445-F455 AromaticContact CE2-CD2 3.84Å; W445-F455 HydrophobicContact CE3-CB 4.33Å; W445-F455 HydrophobicContact CH2-CB 4.22Å; W445-F455 HydrophobicContact CH2-CD2 4.17Å; W445-F455 AromaticContact CZ2-CD2 3.7Å; W445-F455 HydrophobicContact CZ2-CD2 3.7Å; W445-F455 HydrophobicContact CZ3-CB 4.11Å; F455-G457 VanDerWaalsContact CE1-N 3.34Å; F455-G457 VanDerWaalsContact CZ-CA 3.43Å; F455-E458 HydrophobicContact CE2-CB 3.99Å; F455-E458 HydrophobicContact CE2-CG 4.22Å; F455-E458 WeakPolarHBondContact CE2-OE2 3.43Å; F455-E458 HydrophobicContact CZ-CB 3.86Å; F455-E458 HydrophobicContact CZ-CG 3.79Å; F455-K481 HydrophobicContact CD1-CB 4.24Å; F455-K481 HydrophobicContact CD2-CG 4.49Å; F455-K481 HydrophobicContact CE1-CB 3.69Å; F455-K481 HydrophobicContact CE1-CG 4.3Å; F455-K481 VanDerWaalsContact CE1-N 3.29Å; F455-K481 HydrophobicContact CE2-CB 4.17Å; F455-K481 HydrophobicContact CE2-CD 4.35Å; F455-K481 HydrophobicContact CE2-CG 3.87Å; F455-K481 HydrophobicContact CZ-CB 3.63Å; F455-K481 HydrophobicContact CZ-CG 3.74Å
456	L	84.9	Confident	77.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-0.8	179.9	-70	-178.9	0	0	0	113.4	V354 L381 A382 A384 P393 V444 H446	V354-L456 WeakPolarHBondContact CG1-O 3.46Å; L381-L456 HydrophobicContact CD1-CD1 4.36Å; A382-L456 HydrophobicContact CB-CD2 4.23Å; A382-L456 WeakPolarHBondContact O-CD2 3.43Å; A384-L456 HydrophobicContact CB-CD2 4.14Å; P393-L456 HydrophobicContact CB-CD1 4Å; V444-L456 HydrophobicContact CB-CB 4.29Å; V444-L456 HydrophobicContact CG1-CB 4.11Å; V444-L456 HydrophobicContact CG1-CD1 4.45Å; V444-L456 PolarHBondContact O-N 2.84Å; H446-L456 HydrophobicContact CB-CD1 3.99Å; H446-L456 HydrophobicContact CB-CD2 4.39Å; H446-L456 HydrophobicContact CB-CG 4.11Å
457	G	84.9	Confident	76	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130	160	-177.9	0	0	0	0	0	113.1	V444 F455 H479	V444-G457 WeakPolarHBondContact CA-O 3.48Å; V444-G457 WeakPolarHBondContact CB-O 3.27Å; V444-G457 PolarHBondContact N-O 3.36Å; F455-G457 VanDerWaalsContact CE1-N 3.34Å; F455-G457 VanDerWaalsContact CZ-CA 3.43Å; G457-H479 VanDerWaalsContact CA-O 3.26Å; G457-H479 WeakPolarHBondContact CA-O 3.31Å
458	E	91.6	Very high	74.7	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.028	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	166.2	171.6	68.1	-159.9	178.1	0	0	111.5	F442 F455 L478 H479 K481 I482	F442-E458 CarbonylContact O-C 3.55Å; F442-E458 WeakPolarHBondContact O-CA 3.3Å; F442-E458 WeakPolarHBondContact O-CB 3.49Å; F455-E458 HydrophobicContact CE2-CB 3.99Å; F455-E458 HydrophobicContact CE2-CG 4.22Å; F455-E458 WeakPolarHBondContact CE2-OE2 3.43Å; F455-E458 HydrophobicContact CZ-CB 3.86Å; F455-E458 HydrophobicContact CZ-CG 3.79Å; E458-L478 WeakPolarHBondContact O-CA 3.15Å; E458-H479 PolarHBondContact N-O 3.35Å; E458-H479 PolarHBondContact O-CD2 3.31Å; E458-H479 VanDerWaalsContact O-CD2 3.3Å; E458-H479 PolarHBondContact O-N 3.28Å; E458-H479 PolarHBondContact O-NE2 2.96Å; E458-K481 WeakPolarHBondContact OE1-CA 3.47Å; E458-K481 WeakPolarHBondContact OE1-CG 3.13Å; E458-I482 PolarHBondContact OE1-N 2.63Å
459	A	88.9	Confident	73.5	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.008	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	138.4	175.5	0	0	0	0	0	108.9	I358 F442 L476 L478	I358-A459 HydrophobicContact CG2-CB 3.99Å; F442-A459 PolarHBondContact N-O 3.04Å; F442-A459 PolarHBondContact O-N 3.36Å; A459-L476 HydrophobicContact CB-CB 4.12Å; A459-L476 HydrophobicContact CB-CD1 4.44Å; A459-L478 HydrophobicContact CB-CD2 4.12Å
460	E	91.3	Very high	73.4	Confident	70 Å²	70	70 Å²	70	33%	0.327	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.7	-178.6	-57.8	-152.1	146.3	0	0	112.3	T439 L440 Q441	T439-E460 HydrophobicContact CG2-CB 3.86Å; T439-E460 HydrophobicContact CG2-CG 4.49Å; L440-E460 CarbonylContact O-C 3.16Å; L440-E460 WeakPolarHBondContact O-CA 3.38Å; Q441-E460 HydrophobicContact CB-CG 4.32Å; Q441-E460 HydrophobicContact CG-CG 4.18Å; Q441-E460 WeakPolarHBondContact CG-OE1 3.01Å; Q441-E460 PolarHBondContact NE2-OE1 2.87Å
461	V	87	Confident	73.7	Confident	14 Å²	14	71 Å²	71	9%	0.085	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	116.6	177.3	-164.9	0	0	0	0	108.2	F360 T439 L440 F442 M463 W466 L476	F360-V461 HydrophobicContact CE2-CG2 4.21Å; F360-V461 HydrophobicContact CZ-CG2 3.72Å; T439-V461 CarbonylContact C-O 3.59Å; T439-V461 WeakPolarHBondContact CA-O 3.05Å; L440-V461 HydrophobicContact CB-CB 4.33Å; L440-V461 PolarHBondContact N-O 3.24Å; L440-V461 PolarHBondContact O-N 2.92Å; F442-V461 HydrophobicContact CD2-CG2 4.35Å; F442-V461 HydrophobicContact CE2-CG2 3.9Å; V461-M463 HydrophobicContact CB-CE 3.74Å; V461-M463 HydrophobicContact CG1-CE 3.48Å; V461-M463 VanDerWaalsContact CG1-CE 3.48Å; V461-W466 HydrophobicContact CG1-CE3 3.55Å; V461-W466 HydrophobicContact CG1-CZ3 3.89Å; V461-L476 HydrophobicContact CG2-CD1 3.74Å
462	H	84.3	Confident	74.4	Confident	101 Å²	101	74.3 Å²	74.3	47%	0.468	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.1	168.7	-67.1	-107.8	0	0	0	109.3	T439 D464	T439-H462 PolarHBondContact OG1-ND1 2.99Å; H462-D464 WeakPolarHBondContact CB-OD1 3.32Å
463	M	83.7	Confident	75.2	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.069	35%	0.346	C	S	.	.	S	Bend	trans	-88.8	-11	-173.6	-60.6	-74	86.5	0	0	113.5	L362 L371 L435 R438 L440 V461 W466	L362-M463 HydrophobicContact CD1-CE 3.85Å; L371-M463 HydrophobicContact CD2-SD 4.29Å; L435-M463 HydrophobicContact CD1-CB 4.19Å; L435-M463 HydrophobicContact CD1-CG 3.78Å; L435-M463 HydrophobicContact CD1-SD 3.82Å; L435-M463 HydrophobicContact CG-CB 4.22Å; L435-M463 HydrophobicContact CG-CG 4.35Å; L435-M463 WeakPolarHBondContact O-CB 3.37Å; R438-M463 HydrophobicContact CB-CG 4.37Å; R438-M463 WeakPolarHBondContact O-CB 3.49Å; R438-M463 WeakPolarHBondContact O-CG 3.45Å; R438-M463 PolarHBondContact O-N 3.45Å; R438-M463 VanDerWaalsContact O-N 3.11Å; L440-M463 HydrophobicContact CB-CE 3.94Å; L440-M463 HydrophobicContact CB-SD 4.25Å; L440-M463 HydrophobicContact CD2-CE 4.46Å; V461-M463 HydrophobicContact CB-CE 3.74Å; V461-M463 HydrophobicContact CG1-CE 3.48Å; V461-M463 VanDerWaalsContact CG1-CE 3.48Å; M463-W466 HydrophobicContact CE-CB 4.38Å
464	D	77.6	Confident	75.5	Confident	112 Å²	112	70.9 Å²	70.9	60%	0.599	35%	0.348	S	S	*	.	S	Bend	trans	-68.9	-39.9	175.5	57.1	-4.1	0	0	0	113.4	A436 H462	A436-D464 PolarHBondContact O-N 3.02Å; H462-D464 WeakPolarHBondContact CB-OD1 3.32Å
465	S	62.4	Low	75.8	Confident	88 Å²	88	71.9 Å²	71.9	62%	0.615	36%	0.356	S	S	*	.	S	Bend	trans	-93.9	-6.2	-176.3	43	0	0	0	0	111.9	K467	S465-K467 PolarHBondContact O-N 2.86Å
466	W	67.6	Low	75.8	Confident	39 Å²	39	73.7 Å²	73.7	15%	0.148	37%	0.366	C	S	.	.			trans	-76	118.7	177.6	-174.6	-90.6	0	0	0	112.2	F360 L362 V461 M463 L468 H474	F360-W466 HydrophobicContact CE2-CH2 4.04Å; F360-W466 HydrophobicContact CE2-CZ3 4.2Å; L362-W466 HydrophobicContact CB-CH2 4.19Å; L362-W466 HydrophobicContact CB-CZ2 3.56Å; L362-W466 HydrophobicContact CD1-CD2 3.89Å; L362-W466 HydrophobicContact CD1-CE3 3.99Å; L362-W466 HydrophobicContact CD1-CH2 3.71Å; L362-W466 HydrophobicContact CD1-CZ2 3.7Å; L362-W466 HydrophobicContact CD1-CZ3 3.88Å; L362-W466 HydrophobicContact CG-CH2 3.77Å; L362-W466 HydrophobicContact CG-CZ2 3.67Å; L362-W466 HydrophobicContact CG-CZ3 4.42Å; V461-W466 HydrophobicContact CG1-CE3 3.55Å; V461-W466 HydrophobicContact CG1-CZ3 3.89Å; M463-W466 HydrophobicContact CE-CB 4.38Å; W466-L468 PolarHBondContact O-N 3.06Å; W466-L468 VanDerWaalsContact O-N 3.13Å; W466-H474 HydrophobicContact CH2-CB 4.1Å; W466-H474 AromaticContact CH2-CD2 3.32Å; W466-H474 WeakPolarHBondContact CH2-CD2 3.13Å; W466-H474 AromaticContact CH2-CE1 3.4Å; W466-H474 WeakPolarHBondContact CH2-CE1 3.17Å; W466-H474 AromaticContact CH2-CG 3.34Å; W466-H474 AromaticContact CH2-ND1 3.4Å; W466-H474 WeakPolarHBondContact CH2-ND1 3.3Å; W466-H474 AromaticContact CH2-NE2 3.38Å; W466-H474 WeakPolarHBondContact CH2-NE2 3.07Å; W466-H474 AromaticContact CZ2-CD2 3.88Å; W466-H474 AromaticContact CZ2-CE1 3.88Å; W466-H474 AromaticContact CZ2-NE2 3.61Å; W466-H474 HydrophobicContact CZ3-CB 4.46Å; W466-H474 AromaticContact CZ3-CE1 3.79Å; W466-H474 AromaticContact CZ3-CG 3.86Å; W466-H474 AromaticContact CZ3-ND1 3.56Å
467	K	59.9	Low	76	Confident	180 Å²	180	78.1 Å²	78.1	78%	0.783	40%	0.395	S	S	*	.			trans	-78.7	102.6	173.5	-62.5	-166.4	178.9	-172.3	0	109.8	S465 D469	S465-K467 PolarHBondContact O-N 2.86Å; K467-D469 PolarHBondContact O-N 2.98Å
468	L	59.1	Low	76.1	Confident	69 Å²	69	78.7 Å²	78.7	36%	0.361	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-21.2	-171.8	-149.5	68.2	0	0	0	116	F364 L435 W466	F364-L468 HydrophobicContact CB-CD1 3.54Å; F364-L468 HydrophobicContact CB-CD2 4.1Å; F364-L468 HydrophobicContact CB-CG 3.8Å; F364-L468 HydrophobicContact CD1-CD2 4.04Å; F364-L468 HydrophobicContact CG-CD1 4.21Å; F364-L468 HydrophobicContact CG-CD2 4.44Å; L435-L468 HydrophobicContact CD2-CD1 4.41Å; W466-L468 PolarHBondContact O-N 3.06Å; W466-L468 VanDerWaalsContact O-N 3.13Å
469	D	50.6	Low	75.5	Confident	157 Å²	157	81.3 Å²	81.3	84%	0.84	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	35.5	-156.1	-158.9	23.6	0	0	0	114.1	K467	K467-D469 PolarHBondContact O-N 2.98Å
470	K	55.7	Low	74.8	Confident	137 Å²	137	83 Å²	83	60%	0.596	43%	0.427	S	S	*	.			trans	-132.9	121.2	169.2	-71.8	-168.5	175.2	-172	0	111.7	Q472	K470-Q472 HydrophobicContact CB-CB 4.35Å; K470-Q472 PolarHBondContact O-N 2.98Å
471	K	56.9	Low	73.4	Confident	201 Å²	201	82 Å²	82	87%	0.874	42%	0.421	S	S	*	.			trans	-74.1	54.4	167	-65.1	179.8	-179.6	173.7	0	111.2
472	Q	67.9	Low	71.4	Confident	113 Å²	113	84.9 Å²	84.9	53%	0.528	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-96.5	154.1	177.2	-166.9	154.5	16.3	0	0	109.5	S361 K470 H474	S361-Q472 WeakPolarHBondContact CB-O 3.34Å; K470-Q472 HydrophobicContact CB-CB 4.35Å; K470-Q472 PolarHBondContact O-N 2.98Å; Q472-H474 PolarHBondContact O-CD2 3.26Å
473	D	80.6	Confident	69	Low	78 Å²	78	83.5 Å²	83.5	42%	0.417	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-89	124.9	169.4	-73.8	-20.1	0	0	0	109	I359 K376	I359-D473 HydrophobicContact CG2-CB 4.25Å; K376-D473 WeakPolarHBondContact CE-OD1 3.26Å; K376-D473 IonicContact NZ-OD1 2.84Å; K376-D473 PolarHBondContact NZ-OD1 3.13Å; K376-D473 IonicContact NZ-OD2 3.32Å; K376-D473 PolarHBondContact NZ-OD2 3.25Å
474	H	83.3	Confident	66.6	Low	54 Å²	54	87 Å²	87	25%	0.25	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.6	-178.2	-66.3	-107.2	0	0	0	108.8	I359 F360 W466 Q472	I359-H474 WeakPolarHBondContact CA-O 3.35Å; F360-H474 HydrophobicContact CD2-CB 4.47Å; F360-H474 HydrophobicContact CE1-CB 4.31Å; F360-H474 HydrophobicContact CE2-CB 4.01Å; F360-H474 HydrophobicContact CZ-CB 3.91Å; F360-H474 PolarHBondContact N-O 3.43Å; F360-H474 PolarHBondContact O-N 2.91Å; W466-H474 HydrophobicContact CH2-CB 4.1Å; W466-H474 AromaticContact CH2-CD2 3.32Å; W466-H474 WeakPolarHBondContact CH2-CD2 3.13Å; W466-H474 AromaticContact CH2-CE1 3.4Å; W466-H474 WeakPolarHBondContact CH2-CE1 3.17Å; W466-H474 AromaticContact CH2-CG 3.34Å; W466-H474 AromaticContact CH2-ND1 3.4Å; W466-H474 WeakPolarHBondContact CH2-ND1 3.3Å; W466-H474 AromaticContact CH2-NE2 3.38Å; W466-H474 WeakPolarHBondContact CH2-NE2 3.07Å; W466-H474 AromaticContact CZ2-CD2 3.88Å; W466-H474 AromaticContact CZ2-CE1 3.88Å; W466-H474 AromaticContact CZ2-NE2 3.61Å; W466-H474 HydrophobicContact CZ3-CB 4.46Å; W466-H474 AromaticContact CZ3-CE1 3.79Å; W466-H474 AromaticContact CZ3-CG 3.86Å; W466-H474 AromaticContact CZ3-ND1 3.56Å; Q472-H474 PolarHBondContact O-CD2 3.26Å
475	C	87.1	Confident	64.6	Low	60 Å²	60	85.8 Å²	85.8	41%	0.405	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	107.1	-177	-174.7	0	0	0	0	108.4	K357 I358 I359	K357-C475 WeakPolarHBondContact CD-SG 3.39Å; K357-C475 VanDerWaalsContact CE-SG 3.55Å; I358-C475 WeakPolarHBondContact O-CA 3.34Å; I359-C475 HydrophobicContact CG1-CB 4.16Å
476	L	87.4	Confident	63	Low	53 Å²	53	85 Å²	85	28%	0.277	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.8	179.5	-64.7	-177.5	0	0	0	110.4	K357 I358 F360 A459 V461	K357-L476 CarbonylContact C-O 3.57Å; K357-L476 WeakPolarHBondContact CA-O 3.31Å; K357-L476 VanDerWaalsContact CB-O 3.26Å; K357-L476 WeakPolarHBondContact CB-O 3.26Å; I358-L476 HydrophobicContact CG2-CB 4.33Å; I358-L476 PolarHBondContact N-O 3.41Å; I358-L476 PolarHBondContact O-N 3.38Å; F360-L476 HydrophobicContact CE1-CB 4.38Å; F360-L476 HydrophobicContact CE1-CD1 3.79Å; F360-L476 HydrophobicContact CE1-CG 3.9Å; F360-L476 HydrophobicContact CZ-CD1 3.74Å; F360-L476 HydrophobicContact CZ-CG 4.13Å; A459-L476 HydrophobicContact CB-CB 4.12Å; A459-L476 HydrophobicContact CB-CD1 4.44Å; V461-L476 HydrophobicContact CG2-CD1 3.74Å
477	P	87.4	Confident	61.1	Low	94 Å²	94	86.9 Å²	86.9	61%	0.61	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	143.5	170.3	30	-34.4	0	0	0	109.3
478	L	87.9	Confident	59.9	Low	12 Å²	12	85.1 Å²	85.1	6%	0.063	48%	0.483	C	S	.	.			trans	-83.7	130.6	169.9	-67.3	171	0	0	0	108.6	V354 G356 I358 L381 V444 E458 A459	V354-L478 HydrophobicContact CG1-CB 3.95Å; V354-L478 WeakPolarHBondContact CG1-O 3.44Å; G356-L478 PolarHBondContact O-N 3Å; I358-L478 HydrophobicContact CB-CD2 4.21Å; I358-L478 HydrophobicContact CG2-CD2 4.02Å; L381-L478 HydrophobicContact CD2-CD1 3.22Å; V444-L478 HydrophobicContact CB-CD1 4.41Å; V444-L478 HydrophobicContact CG2-CD1 3.88Å; V444-L478 HydrophobicContact CG2-CD2 3.7Å; V444-L478 HydrophobicContact CG2-CG 4.49Å; E458-L478 WeakPolarHBondContact O-CA 3.15Å; A459-L478 HydrophobicContact CB-CD2 4.12Å
479	H	79.3	Confident	58.5	Low	61 Å²	61	84.9 Å²	84.9	28%	0.282	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-104.4	164.7	174.4	50.5	80.9	0	0	0	111.3	G457 E458 I482	G457-H479 VanDerWaalsContact CA-O 3.26Å; G457-H479 WeakPolarHBondContact CA-O 3.31Å; E458-H479 PolarHBondContact N-O 3.35Å; E458-H479 PolarHBondContact O-CD2 3.31Å; E458-H479 VanDerWaalsContact O-CD2 3.3Å; E458-H479 PolarHBondContact O-N 3.28Å; E458-H479 PolarHBondContact O-NE2 2.96Å; H479-I482 HydrophobicContact CB-CD1 4.23Å; H479-I482 WeakPolarHBondContact ND1-CD1 3.36Å
480	G	74.2	Confident	57.6	Low	35 Å²	35	84.3 Å²	84.3	36%	0.361	49%	0.492	S	S	.	.			trans	-52.9	167.1	167.9	0	0	0	0	0	111.7	I482	G480-I482 PolarHBondContact O-N 3.4Å
481	K	61.4	Low	56.9	Low	50 Å²	50	82 Å²	82	22%	0.217	49%	0.492	C	S	.	.			trans	-71.4	102.5	174	-145.2	-168.8	-179	-153.7	0	107.9	S344 E345 F349 F455 E458 S483	S344-K481 PolarHBondContact O-NZ 2.94Å; E345-K481 IonicContact OE1-NZ 3.7Å; F349-K481 HydrophobicContact CD1-CD 4.33Å; F349-K481 HydrophobicContact CD2-CB 4.35Å; F349-K481 HydrophobicContact CD2-CD 4.4Å; F349-K481 HydrophobicContact CE1-CD 3.63Å; F349-K481 HydrophobicContact CE2-CB 4.36Å; F349-K481 HydrophobicContact CE2-CD 3.71Å; F349-K481 HydrophobicContact CZ-CD 3.29Å; F455-K481 HydrophobicContact CD1-CB 4.24Å; F455-K481 HydrophobicContact CD2-CG 4.49Å; F455-K481 HydrophobicContact CE1-CB 3.69Å; F455-K481 HydrophobicContact CE1-CG 4.3Å; F455-K481 VanDerWaalsContact CE1-N 3.29Å; F455-K481 HydrophobicContact CE2-CB 4.17Å; F455-K481 HydrophobicContact CE2-CD 4.35Å; F455-K481 HydrophobicContact CE2-CG 3.87Å; F455-K481 HydrophobicContact CZ-CB 3.63Å; F455-K481 HydrophobicContact CZ-CG 3.74Å; E458-K481 WeakPolarHBondContact OE1-CA 3.47Å; E458-K481 WeakPolarHBondContact OE1-CG 3.13Å; K481-S483 PolarHBondContact O-N 3.29Å
482	I	44.6	Very low	56.3	Low	75 Å²	75	74.3 Å²	74.3	39%	0.385	47%	0.466	S	S	.	.			trans	-79.2	93.4	-178.2	-67.4	177.1	0	0	0	105.7	E458 H479 G480 S486	E458-I482 PolarHBondContact OE1-N 2.63Å; H479-I482 HydrophobicContact CB-CD1 4.23Å; H479-I482 WeakPolarHBondContact ND1-CD1 3.36Å; G480-I482 PolarHBondContact O-N 3.4Å; I482-S486 WeakPolarHBondContact CG1-OG 3.5Å; I482-S486 WeakPolarHBondContact CG2-OG 3.46Å
483	S	35.2	Very low	55.6	Low	72 Å²	72	73.2 Å²	73.2	50%	0.503	46%	0.46	S	S	.	.			trans	-44.9	146.9	143.5	-59.7	0	0	0	0	107.7	K481 D485	K481-S483 PolarHBondContact O-N 3.29Å; S483-D485 WeakPolarHBondContact CB-OD2 3.25Å; S483-D485 PolarHBondContact O-N 2.82Å
484	A	33	Very low	55	Low	87 Å²	87	72.5 Å²	72.5	72%	0.719	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	49.6	-170.1	0	0	0	0	0	114.1
485	D	35.3	Very low	55	Low	86 Å²	86	70.1 Å²	70.1	46%	0.46	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-3.1	-158.3	-53.1	-9.1	0	0	0	110.4	S483 A492	S483-D485 WeakPolarHBondContact CB-OD2 3.25Å; S483-D485 PolarHBondContact O-N 2.82Å; D485-A492 VanDerWaalsContact OD1-CB 3.31Å; D485-A492 WeakPolarHBondContact OD1-CB 3.42Å
486	S	29.3	Very low	55.3	Low	71 Å²	71	70.3 Å²	70.3	50%	0.497	44%	0.439	S	S	.	.			trans	-136.3	39.5	179	86.8	0	0	0	0	114.3	I482	I482-S486 WeakPolarHBondContact CG1-OG 3.5Å; I482-S486 WeakPolarHBondContact CG2-OG 3.46Å
487	S	26.8	Very low	55.6	Low	80 Å²	80	67.8 Å²	67.8	56%	0.559	43%	0.426	S	S	*	.	S	Bend	trans	-77	134.3	142	58.1	0	0	0	0	107.7	G489	S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 3.38Å
488	P	34.6	Very low	56	Low	143 Å²	143	63.6 Å²	63.6	93%	0.929	40%	0.398	S	S	*	.	S	Bend	trans	-74.8	83.7	173.5	30.3	-32.9	0	0	0	108.9
489	G	30.9	Very low	56.4	Low	63 Å²	63	63 Å²	63	65%	0.649	40%	0.395	S	S	*	.	S	Bend	trans	-162.8	-62.8	-174.4	0	0	0	0	0	115.9	S487	S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 3.38Å
490	L	31.9	Very low	57.2	Low	145 Å²	145	60.1 Å²	60.1	76%	0.759	38%	0.382	S	S	*	.			trans	-141.2	138	-170.2	-72	168.3	0	0	0	111.4
491	P	39.8	Very low	58.2	Low	89 Å²	89	58.5 Å²	58.5	58%	0.578	37%	0.365	S	S	*	.			trans	-71.1	137	176.4	-13.3	28.4	0	0	0	112.1	H493	P491-H493 VanDerWaalsContact C-N 3.34Å; P491-H493 PolarHBondContact O-CD2 3.12Å; P491-H493 PolarHBondContact O-N 3.26Å; P491-H493 PolarHBondContact O-NE2 2.93Å
492	A	45.5	Very low	59.8	Low	40 Å²	40	58.1 Å²	58.1	33%	0.331	36%	0.363	S	S	.	.			trans	-76.8	80.9	173.9	0	0	0	0	0	111.4	D485 K494	D485-A492 VanDerWaalsContact OD1-CB 3.31Å; D485-A492 WeakPolarHBondContact OD1-CB 3.42Å; A492-K494 PolarHBondContact O-N 2.81Å
493	H	52.7	Low	62.1	Low	90 Å²	90	54.8 Å²	54.8	42%	0.417	35%	0.346	S	S	.	.			trans	-61.5	125.7	178.6	-44.6	-63.4	0	0	0	110.9	P491 G495 Q657	P491-H493 VanDerWaalsContact C-N 3.34Å; P491-H493 PolarHBondContact O-CD2 3.12Å; P491-H493 PolarHBondContact O-N 3.26Å; P491-H493 PolarHBondContact O-NE2 2.93Å; H493-G495 PolarHBondContact O-N 3.44Å; H493-Q657 PolarHBondContact CE1-NE2 3.39Å; H493-Q657 VanDerWaalsContact CE1-NE2 3.34Å; H493-Q657 PolarHBondContact CE1-OE1 3.25Å; H493-Q657 PolarHBondContact ND1-OE1 3.02Å; H493-Q657 VanDerWaalsContact ND1-OE1 3.16Å
494	K	68.3	Low	64.7	Low	62 Å²	62	52.5 Å²	52.5	27%	0.27	33%	0.328	S	S	.	.			trans	-82.1	2.3	176.3	-73.5	-166.6	171.2	-73.7	0	114.6	A492 L536 T537 L611 L658	A492-K494 PolarHBondContact O-N 2.81Å; K494-L536 WeakPolarHBondContact O-CA 3.46Å; K494-T537 PolarHBondContact O-N 3.05Å; K494-T537 VanDerWaalsContact O-N 3.08Å; K494-T537 PolarHBondContact O-OG1 2.97Å; K494-L611 WeakPolarHBondContact CB-O 3.25Å; K494-L611 WeakPolarHBondContact CD-O 3.15Å; K494-L658 HydrophobicContact CB-CB 4.42Å; K494-L658 PolarHBondContact N-O 2.84Å
495	G	83.6	Confident	67.3	Low	5 Å²	5	49.4 Å²	49.4	5%	0.052	30%	0.3	C	S	.	.			trans	135.8	-174.9	-171	0	0	0	0	0	110.6	H493 K534 N535 L658	H493-G495 PolarHBondContact O-N 3.44Å; G495-K534 CarbonylContact C-O 3.59Å; G495-K534 WeakPolarHBondContact CA-O 3.42Å; G495-N535 WeakPolarHBondContact CA-O 3.46Å; G495-L658 WeakPolarHBondContact O-CB 3.41Å; G495-L658 PolarHBondContact O-N 3.13Å
496	E	91.6	Very high	69.5	Low	64 Å²	64	47.6 Å²	47.6	30%	0.299	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.1	177.4	-66.6	167.5	-170.6	0	0	110	A533 K534 T655 L656	E496-A533 CarbonylContact O-C 3.38Å; E496-A533 WeakPolarHBondContact O-CA 3.32Å; E496-A533 VanDerWaalsContact O-CB 3.29Å; E496-A533 WeakPolarHBondContact O-CB 3.06Å; E496-K534 HydrophobicContact CB-CB 4.34Å; E496-K534 PolarHBondContact N-O 2.98Å; E496-K534 PolarHBondContact O-N 3.46Å; E496-T655 HydrophobicContact CB-CG2 3.85Å; E496-T655 HydrophobicContact CG-CG2 4.13Å; E496-L656 CarbonylContact C-O 3.59Å; E496-L656 WeakPolarHBondContact CA-O 3.43Å
497	L	94.3	Very high	71.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.2	173.7	-172.3	71.9	0	0	0	109.3	V499 I530 A533 V549 Y576 L597 V599 V614 L656 L658	L497-V499 HydrophobicContact CD2-CG1 3.84Å; L497-V499 HydrophobicContact CG-CG1 3.79Å; L497-I530 HydrophobicContact CD1-CG2 4.27Å; L497-A533 HydrophobicContact CD1-CB 3.92Å; L497-V549 HydrophobicContact CD1-CG2 4.18Å; L497-Y576 HydrophobicContact CD1-CE2 4.38Å; L497-L597 HydrophobicContact CD2-CB 4.25Å; L497-L597 HydrophobicContact CD2-CD1 4.15Å; L497-V599 HydrophobicContact CD1-CG2 4.19Å; L497-V599 HydrophobicContact CD2-CG2 4.46Å; L497-V614 HydrophobicContact CD2-CG2 4.27Å; L497-L656 PolarHBondContact N-O 3.05Å; L497-L656 PolarHBondContact O-N 3.41Å; L497-L658 HydrophobicContact CB-CD2 3.96Å; L497-L658 HydrophobicContact CB-CG 4.39Å
498	V	95.6	Very high	73.8	Confident	5 Å²	5	52 Å²	52	3%	0.03	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.8	177.2	-171.4	0	0	0	0	108.8	K531 E532 T655	V498-K531 HydrophobicContact CB-CB 4.47Å; V498-K531 HydrophobicContact CG1-CB 4.45Å; V498-K531 HydrophobicContact CG1-CD 4.22Å; V498-K531 PolarHBondContact O-N 3.42Å; V498-K531 VanDerWaalsContact O-N 3.1Å; V498-E532 HydrophobicContact CB-CG 3.73Å; V498-E532 HydrophobicContact CG2-CG 3.77Å; V498-E532 PolarHBondContact N-O 2.68Å; V498-E532 PolarHBondContact O-N 2.86Å; V498-T655 HydrophobicContact CG2-CG2 4.22Å
499	V	96.7	Very high	75.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162.5	-178	-54.3	0	0	0	0	111.6	L497 W529 I530 L597 L616 L640 G654 L656	L497-V499 HydrophobicContact CD2-CG1 3.84Å; L497-V499 HydrophobicContact CG-CG1 3.79Å; V499-W529 CarbonylContact C-O 3.59Å; V499-W529 VanDerWaalsContact CA-O 3.31Å; V499-W529 WeakPolarHBondContact CA-O 3.49Å; V499-I530 HydrophobicContact CG1-CD1 3.84Å; V499-L597 HydrophobicContact CG1-CD1 4.02Å; V499-L616 HydrophobicContact CG2-CD1 4.33Å; V499-L640 HydrophobicContact CG2-CD2 3.73Å; V499-G654 PolarHBondContact N-O 3.44Å; V499-G654 PolarHBondContact O-N 3.37Å; V499-G654 VanDerWaalsContact O-N 3.1Å; V499-L656 HydrophobicContact CG2-CD1 3.76Å
500	S	96.3	Very high	76.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.9	167.4	-54.3	0	0	0	0	110.3	V528 W529 K531 W651 A652 E653	S500-V528 CarbonylContact O-C 3.11Å; S500-V528 WeakPolarHBondContact O-CA 3.45Å; S500-W529 PolarHBondContact N-O 2.99Å; S500-W529 PolarHBondContact O-N 2.57Å; S500-K531 WeakPolarHBondContact OG-CE 3.14Å; S500-W651 WeakPolarHBondContact O-CZ3 3.22Å; S500-A652 CarbonylContact C-O 3.58Å; S500-A652 WeakPolarHBondContact CA-O 3.41Å; S500-E653 WeakPolarHBondContact OG-CB 3.48Å
501	L	95.8	Very high	78	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.8	179.2	-57	-175.9	0	0	0	110.1	V528 L595 L616 L640 W641 M644 A652	L501-V528 HydrophobicContact CD2-CB 4.25Å; L501-V528 HydrophobicContact CD2-CG1 3.84Å; L501-V528 HydrophobicContact CD2-CG2 3.89Å; L501-L595 HydrophobicContact CD2-CD2 3.76Å; L501-L616 HydrophobicContact CD1-CD1 4.28Å; L501-L616 HydrophobicContact CD1-CD2 4.45Å; L501-L616 HydrophobicContact CD2-CD1 4.24Å; L501-L640 HydrophobicContact CD1-CD2 4.33Å; L501-L640 HydrophobicContact CD1-CG 3.97Å; L501-L640 HydrophobicContact CG-CD2 4.37Å; L501-L640 HydrophobicContact CG-CG 4.29Å; L501-W641 HydrophobicContact CD1-CE3 3.91Å; L501-W641 HydrophobicContact CD1-CZ3 4.48Å; L501-M644 HydrophobicContact CB-CB 3.9Å; L501-M644 HydrophobicContact CB-CG 3.77Å; L501-M644 HydrophobicContact CB-SD 3.71Å; L501-M644 HydrophobicContact CD1-CB 4.33Å; L501-M644 HydrophobicContact CD1-SD 4.1Å; L501-M644 HydrophobicContact CG-SD 4.48Å; L501-A652 PolarHBondContact N-O 3.04Å; L501-A652 PolarHBondContact O-N 2.82Å
502	K	94.4	Very high	78.5	Confident	42 Å²	42	50.1 Å²	50.1	18%	0.183	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	119.5	174.2	165.8	168.8	164.8	154.3	0	109.9	I504 Q527 G649 S650 W651	K502-I504 HydrophobicContact CG-CG1 4.14Å; K502-Q527 HydrophobicContact CB-CB 4.3Å; K502-Q527 PolarHBondContact N-O 2.9Å; K502-Q527 PolarHBondContact O-N 3.44Å; K502-G649 WeakPolarHBondContact CD-O 3.33Å; K502-G649 WeakPolarHBondContact CE-O 3.49Å; K502-G649 PolarHBondContact NZ-O 3.45Å; K502-S650 WeakPolarHBondContact CB-O 3.45Å; K502-S650 WeakPolarHBondContact CG-O 3.36Å; K502-W651 HydrophobicContact CB-CD2 3.71Å; K502-W651 HydrophobicContact CB-CE3 3.36Å; K502-W651 HydrophobicContact CB-CG 4.38Å; K502-W651 HydrophobicContact CB-CH2 4.17Å; K502-W651 HydrophobicContact CB-CZ2 4.46Å; K502-W651 HydrophobicContact CB-CZ3 3.61Å; K502-W651 HydrophobicContact CD-CD2 3.87Å; K502-W651 HydrophobicContact CD-CE3 4.35Å; K502-W651 HydrophobicContact CD-CG 4.22Å; K502-W651 HydrophobicContact CD-CZ2 4.08Å; K502-W651 HydrophobicContact CG-CD2 4.46Å
503	Y	92.4	Very high	78.5	Confident	6 Å²	6	51.5 Å²	51.5	2%	0.024	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.8	170.7	178.2	-112.4	0	0	0	110.3	P505 L526 V585 L587 L590 P648 G649	Y503-P505 HydrophobicContact CD1-CG 4.22Å; Y503-P505 HydrophobicContact CE1-CB 4.24Å; Y503-P505 HydrophobicContact CE1-CG 3.88Å; Y503-L526 HydrophobicContact CD2-CB 4.48Å; Y503-V585 HydrophobicContact CE2-CB 4.47Å; Y503-V585 WeakPolarHBondContact CE2-O 3.21Å; Y503-V585 PolarHBondContact OH-O 2.75Å; Y503-V585 VanDerWaalsContact OH-O 3.11Å; Y503-L587 HydrophobicContact CD1-CD1 3.95Å; Y503-L587 HydrophobicContact CE1-CB 4.16Å; Y503-L587 HydrophobicContact CE1-CD1 3.6Å; Y503-L587 HydrophobicContact CE1-CG 4.48Å; Y503-L587 PolarHBondContact OH-N 3.39Å; Y503-L590 HydrophobicContact CD1-CD1 4.06Å; Y503-L590 HydrophobicContact CD2-CD1 3.97Å; Y503-L590 HydrophobicContact CE1-CD1 4.29Å; Y503-L590 HydrophobicContact CE2-CD1 4.2Å; Y503-L590 HydrophobicContact CG-CD1 3.9Å; Y503-P648 HydrophobicContact CD1-CB 4.37Å; Y503-P648 CarbonylContact O-C 3.51Å; Y503-P648 WeakPolarHBondContact O-CA 3.4Å; Y503-G649 PolarHBondContact O-N 3.13Å
504	I	90.9	Very high	78.2	Confident	23 Å²	23	55.8 Å²	55.8	12%	0.118	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.9	175.4	-51.2	175.2	0	0	0	107.6	K502 K508 L509 G524 E525 Q527	K502-I504 HydrophobicContact CG-CG1 4.14Å; I504-K508 HydrophobicContact CG2-CB 4.03Å; I504-L509 HydrophobicContact CB-CD2 4.27Å; I504-L509 HydrophobicContact CG2-CD2 3.81Å; I504-L509 HydrophobicContact CG2-CG 4.37Å; I504-G524 CarbonylContact O-C 3.47Å; I504-G524 WeakPolarHBondContact O-CA 3.27Å; I504-E525 HydrophobicContact CB-CB 4.39Å; I504-E525 PolarHBondContact N-O 3.13Å; I504-E525 PolarHBondContact O-N 2.66Å; I504-Q527 HydrophobicContact CD1-CG 4.43Å
505	P	86.7	Confident	77.3	Confident	23 Å²	23	64 Å²	64	15%	0.149	38%	0.376	C	S	.	.			trans	-60.3	149.9	174.3	-21.7	32.8	0	0	0	111.4	Y503 S507 K508 P648	Y503-P505 HydrophobicContact CD1-CG 4.22Å; Y503-P505 HydrophobicContact CE1-CB 4.24Å; Y503-P505 HydrophobicContact CE1-CG 3.88Å; P505-S507 PolarHBondContact O-N 3.35Å; P505-S507 VanDerWaalsContact O-N 3.08Å; P505-K508 PolarHBondContact O-N 3.46Å; P505-P648 HydrophobicContact CG-CB 3.6Å
506	A	82.4	Confident	75.3	Confident	48 Å²	48	73.6 Å²	73.6	40%	0.397	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-51.7	-35.9	179.7	0	0	0	0	0	113.5	K508 L509	A506-K508 PolarHBondContact O-N 3Å; A506-L509 PolarHBondContact O-N 3.1Å
507	S	75.4	Confident	72.9	Confident	113 Å²	113	80.3 Å²	80.3	79%	0.79	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-69	-7.6	176.6	54.2	0	0	0	0	115.5	P505	P505-S507 PolarHBondContact O-N 3.35Å; P505-S507 VanDerWaalsContact O-N 3.08Å
508	K	69.3	Low	70.4	Confident	130 Å²	130	85.2 Å²	85.2	57%	0.565	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-115.1	4.5	175.3	-62.4	-169.1	-175.4	-178.7	0	113.2	I504 P505 A506 P648	I504-K508 HydrophobicContact CG2-CB 4.03Å; P505-K508 PolarHBondContact O-N 3.46Å; A506-K508 PolarHBondContact O-N 3Å; K508-P648 PolarHBondContact NZ-O 3.07Å
509	L	71.5	Confident	67.8	Low	55 Å²	55	95.6 Å²	95.6	29%	0.288	52%	0.524	S	S	.	.	S	Bend	trans	-70.9	141.9	174.6	-68.3	173.6	0	0	0	110.3	I504 A506 V511 E525	I504-L509 HydrophobicContact CB-CD2 4.27Å; I504-L509 HydrophobicContact CG2-CD2 3.81Å; I504-L509 HydrophobicContact CG2-CG 4.37Å; A506-L509 PolarHBondContact O-N 3.1Å; L509-V511 PolarHBondContact O-N 3.41Å; L509-V511 VanDerWaalsContact O-N 3.16Å; L509-E525 HydrophobicContact CD2-CB 3.9Å
510	P	59.6	Low	65.2	Low	119 Å²	119	98.9 Å²	98.9	77%	0.773	56%	0.558	S	S	*	*			trans	-68.5	113.8	-176.9	26.8	-33.8	0	0	0	111.4	G512	P510-G512 VanDerWaalsContact C-N 3.31Å; P510-G512 PolarHBondContact O-N 3.39Å
511	V	55.5	Low	62.9	Low	157 Å²	157	102.1 Å²	102.1	95%	0.952	59%	0.591	S	S	*	*			trans	-80.1	77.4	175.4	-173.7	0	0	0	0	109.4	L509	L509-V511 PolarHBondContact O-N 3.41Å; L509-V511 VanDerWaalsContact O-N 3.16Å
512	G	50.5	Low	61.4	Low	70 Å²	70	111 Å²	111	72%	0.722	63%	0.633	S	S	*	*			trans	-168.4	132.3	178.4	0	0	0	0	0	114.4	P510	P510-G512 VanDerWaalsContact C-N 3.31Å; P510-G512 PolarHBondContact O-N 3.39Å
513	G	45.6	Very low	60.5	Low	69 Å²	69	109.5 Å²	109.5	71%	0.711	63%	0.629	S	S	*	*	S	Bend	trans	101.6	133.6	177.4	0	0	0	0	0	114	R515	G513-R515 PolarHBondContact O-N 2.76Å
514	D	45.4	Very low	60.2	Low	179 Å²	179	109.3 Å²	109.3	96%	0.957	63%	0.628	S	S	*	*			trans	-64.5	80.9	-171.5	-72.1	-86	0	0	0	115.2
515	R	49.6	Very low	60.2	Low	236 Å²	236	110.1 Å²	110.1	89%	0.891	63%	0.632	S	S	*	*			trans	-96.9	101.8	163.6	-73	-172.8	169.8	-178.5	-2.3	110.3	G513 K517	G513-R515 PolarHBondContact O-N 2.76Å; R515-K517 PolarHBondContact O-N 3.23Å; R515-K517 VanDerWaalsContact O-N 3.08Å
516	K	41.7	Very low	60.5	Low	206 Å²	206	109 Å²	109	90%	0.896	63%	0.625	S	S	*	*			trans	-37.5	110.5	174.9	-172.7	176.4	-174.9	175.7	0	111.2	S518	K516-S518 PolarHBondContact O-N 3.42Å
517	K	41	Very low	61	Low	205 Å²	205	108.4 Å²	108.4	89%	0.891	61%	0.614	S	S	*	*			trans	-54.7	92.1	-166.5	-166.3	172	-173.1	172.2	0	113	R515	R515-K517 PolarHBondContact O-N 3.23Å; R515-K517 VanDerWaalsContact O-N 3.08Å
518	S	41.4	Very low	62	Low	102 Å²	102	103 Å²	103	71%	0.713	58%	0.576	S	S	*	*			trans	-65.2	134.9	172.8	46.9	0	0	0	0	109.7	K516 G520	K516-S518 PolarHBondContact O-N 3.42Å; S518-G520 VanDerWaalsContact C-N 3.33Å; S518-G520 PolarHBondContact O-N 3.15Å
519	K	41.4	Very low	63.3	Low	224 Å²	224	100.6 Å²	100.6	97%	0.974	56%	0.563	S	S	*	*	S	Bend	trans	-87.9	68.4	-164.6	-162.5	179.4	-179.6	-176.5	0	112.1
520	G	42.8	Very low	64.5	Low	69 Å²	69	98 Å²	98	71%	0.711	55%	0.55	S	S	*	.			trans	142.6	131.8	173.3	0	0	0	0	0	112.6	S518	S518-G520 VanDerWaalsContact C-N 3.33Å; S518-G520 PolarHBondContact O-N 3.15Å
521	G	48.3	Very low	66.2	Low	69 Å²	69	94 Å²	94	71%	0.711	52%	0.52	S	S	*	.			trans	156.2	59.4	179.8	0	0	0	0	0	115.2	G523	G521-G523 PolarHBondContact O-N 2.99Å
522	E	64.5	Low	68	Low	187 Å²	187	88.4 Å²	88.4	87%	0.874	48%	0.484	S	S	*	.			trans	-78.6	63.3	171.7	-64.9	-174.7	135	0	0	111.2	R586	E522-R586 WeakPolarHBondContact O-CG 3.34Å
523	G	74.6	Confident	70	Confident	10 Å²	10	85.1 Å²	85.1	10%	0.103	45%	0.45	C	S	.	.			trans	-141.6	152.4	-176.7	0	0	0	0	0	113.1	G521	G521-G523 PolarHBondContact O-N 2.99Å
524	G	86.5	Confident	72	Confident	1 Å²	1	85.1 Å²	85.1	1%	0.01	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-172	174.7	0	0	0	0	0	113.3	I504 G584 V585	I504-G524 CarbonylContact O-C 3.47Å; I504-G524 WeakPolarHBondContact O-CA 3.27Å; G524-G584 PolarHBondContact O-N 3.26Å; G524-V585 WeakPolarHBondContact CA-O 3.21Å; G524-V585 PolarHBondContact N-O 3.36Å; G524-V585 PolarHBondContact O-N 2.99Å
525	E	91.1	Very high	73.9	Confident	40 Å²	40	82 Å²	82	19%	0.187	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.9	-179.4	-175.6	-178.9	127.4	0	0	109.9	I504 L509 Q527 V581 Y582	I504-E525 HydrophobicContact CB-CB 4.39Å; I504-E525 PolarHBondContact N-O 3.13Å; I504-E525 PolarHBondContact O-N 2.66Å; L509-E525 HydrophobicContact CD2-CB 3.9Å; E525-Q527 HydrophobicContact CG-CG 4.24Å; E525-Q527 WeakPolarHBondContact OE1-CG 3.47Å; E525-Q527 PolarHBondContact OE1-NE2 3.48Å; E525-V581 HydrophobicContact CG-CG1 3.56Å; E525-V581 WeakPolarHBondContact OE1-CG1 3.47Å; E525-Y582 WeakPolarHBondContact CA-O 3.39Å
526	L	91.4	Very high	75.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.9	171.7	169.9	59.7	0	0	0	109	Y503 V528 L553 Y582 V585 L590 W641 M644	Y503-L526 HydrophobicContact CD2-CB 4.48Å; L526-V528 HydrophobicContact CD1-CG2 4.25Å; L526-V528 HydrophobicContact CG-CG2 4.12Å; L526-L553 HydrophobicContact CD2-CD1 4.18Å; L526-Y582 HydrophobicContact CG-CD2 4.38Å; L526-Y582 PolarHBondContact N-O 3.11Å; L526-Y582 PolarHBondContact O-N 3.23Å; L526-V585 HydrophobicContact CB-CG2 4.38Å; L526-L590 HydrophobicContact CD2-CD2 4.49Å; L526-W641 HydrophobicContact CD2-CH2 4.02Å; L526-W641 HydrophobicContact CD2-CZ3 4.24Å; L526-M644 HydrophobicContact CD1-CE 4.41Å; L526-M644 HydrophobicContact CD1-SD 3.37Å; L526-M644 WeakPolarHBondContact CD1-SD 3.38Å
527	Q	94.2	Very high	77.2	Confident	36 Å²	36	63.9 Å²	63.9	17%	0.168	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.4	173.9	-58.9	-176.8	-19.6	0	0	110	K502 I504 E525 T579 W651	K502-Q527 HydrophobicContact CB-CB 4.3Å; K502-Q527 PolarHBondContact N-O 2.9Å; K502-Q527 PolarHBondContact O-N 3.44Å; I504-Q527 HydrophobicContact CD1-CG 4.43Å; E525-Q527 HydrophobicContact CG-CG 4.24Å; E525-Q527 WeakPolarHBondContact OE1-CG 3.47Å; E525-Q527 PolarHBondContact OE1-NE2 3.48Å; Q527-T579 HydrophobicContact CB-CG2 4.33Å; Q527-W651 HydrophobicContact CB-CH2 3.7Å; Q527-W651 HydrophobicContact CB-CZ3 4.08Å
528	V	96.1	Very high	78.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	101	-179.7	-180	0	0	0	0	108	S500 L501 L526 I530 T579 F580 Y582 L595 L597	S500-V528 CarbonylContact O-C 3.11Å; S500-V528 WeakPolarHBondContact O-CA 3.45Å; L501-V528 HydrophobicContact CD2-CB 4.25Å; L501-V528 HydrophobicContact CD2-CG1 3.84Å; L501-V528 HydrophobicContact CD2-CG2 3.89Å; L526-V528 HydrophobicContact CD1-CG2 4.25Å; L526-V528 HydrophobicContact CG-CG2 4.12Å; V528-I530 HydrophobicContact CG1-CD1 3.78Å; V528-I530 PolarHBondContact O-N 3.18Å; V528-T579 CarbonylContact O-C 3.58Å; V528-T579 WeakPolarHBondContact O-CA 3.34Å; V528-F580 HydrophobicContact CB-CB 4.19Å; V528-F580 PolarHBondContact N-O 3.37Å; V528-F580 PolarHBondContact O-N 3.04Å; V528-Y582 HydrophobicContact CG2-CD2 4.28Å; V528-Y582 HydrophobicContact CG2-CE2 3.96Å; V528-L595 HydrophobicContact CB-CD2 4.35Å; V528-L595 HydrophobicContact CG1-CD2 3.87Å; V528-L595 HydrophobicContact CG2-CD1 4.34Å; V528-L595 HydrophobicContact CG2-CD2 3.53Å; V528-L597 HydrophobicContact CG1-CD1 4.37Å
529	W	96.6	Very high	79.8	Confident	79 Å²	79	53.5 Å²	53.5	30%	0.299	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.1	177	-174.4	25.4	0	0	0	109.7	V499 S500 K531 W651	V499-W529 CarbonylContact C-O 3.59Å; V499-W529 VanDerWaalsContact CA-O 3.31Å; V499-W529 WeakPolarHBondContact CA-O 3.49Å; S500-W529 PolarHBondContact N-O 2.99Å; S500-W529 PolarHBondContact O-N 2.57Å; W529-K531 HydrophobicContact CD2-CG 3.94Å; W529-K531 HydrophobicContact CE3-CD 4.5Å; W529-K531 HydrophobicContact CE3-CG 4.22Å; W529-K531 HydrophobicContact CG-CG 4.37Å; W529-K531 HydrophobicContact CZ2-CG 4.31Å; W529-K531 HydrophobicContact CZ3-CD 4.45Å; W529-K531 PolarHBondContact O-N 3.11Å; W529-W651 HydrophobicContact CB-CH2 3.89Å; W529-W651 HydrophobicContact CB-CZ3 3.81Å
530	I	96.9	Very high	80.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.7	172.3	-49.6	-59.8	0	0	0	107	L497 V499 V528 V549 T565 Y576 N577 H578 F580 L597	L497-I530 HydrophobicContact CD1-CG2 4.27Å; V499-I530 HydrophobicContact CG1-CD1 3.84Å; V528-I530 HydrophobicContact CG1-CD1 3.78Å; V528-I530 PolarHBondContact O-N 3.18Å; I530-V549 HydrophobicContact CG2-CB 4.41Å; I530-V549 HydrophobicContact CG2-CG2 3.94Å; I530-T565 HydrophobicContact CB-CG2 4.27Å; I530-T565 HydrophobicContact CG1-CG2 4.35Å; I530-T565 HydrophobicContact CG2-CG2 4.27Å; I530-Y576 HydrophobicContact CG2-CD2 3.69Å; I530-Y576 HydrophobicContact CG2-CE2 4.48Å; I530-Y576 HydrophobicContact CG2-CG 4.18Å; I530-N577 CarbonylContact O-C 3.58Å; I530-N577 WeakPolarHBondContact O-CA 3.48Å; I530-N577 PolarHBondContact O-N 3.39Å; I530-H578 PolarHBondContact N-O 3.04Å; I530-H578 PolarHBondContact O-N 3.49Å; I530-F580 HydrophobicContact CD1-CD2 4.26Å; I530-F580 HydrophobicContact CD1-CE2 4.11Å; I530-F580 HydrophobicContact CG1-CD2 4.08Å; I530-F580 HydrophobicContact CG1-CE1 4.48Å; I530-F580 HydrophobicContact CG1-CE2 3.84Å; I530-F580 HydrophobicContact CG1-CZ 4.07Å; I530-L597 HydrophobicContact CD1-CD1 3.81Å; I530-L597 HydrophobicContact CD1-CD2 4.13Å
531	K	94.3	Very high	80.9	Confident	36 Å²	36	48.2 Å²	48.2	16%	0.157	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-63.7	-178.4	-66.5	-169.3	178.3	-172.9	0	110.8	V498 S500 W529 H575 Y576 N577 E653	V498-K531 HydrophobicContact CB-CB 4.47Å; V498-K531 HydrophobicContact CG1-CB 4.45Å; V498-K531 HydrophobicContact CG1-CD 4.22Å; V498-K531 PolarHBondContact O-N 3.42Å; V498-K531 VanDerWaalsContact O-N 3.1Å; S500-K531 WeakPolarHBondContact OG-CE 3.14Å; W529-K531 HydrophobicContact CD2-CG 3.94Å; W529-K531 HydrophobicContact CE3-CD 4.5Å; W529-K531 HydrophobicContact CE3-CG 4.22Å; W529-K531 HydrophobicContact CG-CG 4.37Å; W529-K531 HydrophobicContact CZ2-CG 4.31Å; W529-K531 HydrophobicContact CZ3-CD 4.45Å; W529-K531 PolarHBondContact O-N 3.11Å; K531-H575 CarbonylContact O-C 3.54Å; K531-Y576 PolarHBondContact O-N 3.03Å; K531-N577 PolarHBondContact O-N 3.29Å; K531-E653 WeakPolarHBondContact CE-OE1 3.46Å; K531-E653 IonicContact NZ-OE1 2.72Å; K531-E653 PolarHBondContact NZ-OE1 3.04Å; K531-E653 IonicContact NZ-OE2 3.2Å; K531-E653 PolarHBondContact NZ-OE2 3.47Å
532	E	93.6	Very high	81	Confident	39 Å²	39	47.8 Å²	47.8	18%	0.182	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	160.2	-168.2	56.9	-173.7	-160.4	0	0	111.3	V498 K534 P574 H575	V498-E532 HydrophobicContact CB-CG 3.73Å; V498-E532 HydrophobicContact CG2-CG 3.77Å; V498-E532 PolarHBondContact N-O 2.68Å; V498-E532 PolarHBondContact O-N 2.86Å; E532-K534 WeakPolarHBondContact OE1-CE 3.34Å; E532-K534 IonicContact OE1-NZ 3.4Å; E532-K534 PolarHBondContact OE1-NZ 2.74Å; E532-P574 CarbonylContact C-O 3.52Å; E532-P574 WeakPolarHBondContact CA-O 3.22Å; E532-P574 WeakPolarHBondContact CB-O 3.39Å; E532-H575 HydrophobicContact CB-CB 4.49Å; E532-H575 IonicContact OE2-CE1 3.13Å; E532-H575 PolarHBondContact OE2-CE1 2.85Å; E532-H575 IonicContact OE2-ND1 2.73Å; E532-H575 PolarHBondContact OE2-ND1 3.03Å
533	A	93.3	Very high	81	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	156.8	160.9	0	0	0	0	0	110.1	E496 L497 L536 N573 P574 Y576	E496-A533 CarbonylContact O-C 3.38Å; E496-A533 WeakPolarHBondContact O-CA 3.32Å; E496-A533 VanDerWaalsContact O-CB 3.29Å; E496-A533 WeakPolarHBondContact O-CB 3.06Å; L497-A533 HydrophobicContact CD1-CB 3.92Å; A533-L536 HydrophobicContact CB-CD1 4.02Å; A533-L536 HydrophobicContact CB-CD2 3.9Å; A533-L536 HydrophobicContact CB-CG 3.99Å; A533-N573 CarbonylContact O-C 3.53Å; A533-N573 WeakPolarHBondContact O-CA 3.43Å; A533-P574 HydrophobicContact CB-CG 3.8Å; A533-P574 PolarHBondContact N-O 2.92Å; A533-P574 WeakPolarHBondContact O-CD 3.43Å; A533-Y576 HydrophobicContact CB-CE2 4.03Å
534	K	88.3	Confident	81	Confident	69 Å²	69	42.8 Å²	42.8	30%	0.3	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.3	-179.7	-71	169.5	-179.4	147.6	0	111	G495 E496 E532 L536 N573	G495-K534 CarbonylContact C-O 3.59Å; G495-K534 WeakPolarHBondContact CA-O 3.42Å; E496-K534 HydrophobicContact CB-CB 4.34Å; E496-K534 PolarHBondContact N-O 2.98Å; E496-K534 PolarHBondContact O-N 3.46Å; E532-K534 WeakPolarHBondContact OE1-CE 3.34Å; E532-K534 IonicContact OE1-NZ 3.4Å; E532-K534 PolarHBondContact OE1-NZ 2.74Å; K534-L536 PolarHBondContact O-N 3.39Å; K534-L536 VanDerWaalsContact O-N 3.14Å; K534-N573 VanDerWaalsContact CA-OD1 3.27Å; K534-N573 WeakPolarHBondContact CA-OD1 3.43Å
535	N	84.9	Confident	80.7	Confident	112 Å²	112	42.7 Å²	42.7	60%	0.599	26%	0.264	S	S	*	.	S	Bend	trans	50.9	37.8	173.1	-58.8	-33.7	0	0	0	113.7	G495 L572 N573	G495-N535 WeakPolarHBondContact CA-O 3.46Å; N535-L572 PolarHBondContact N-O 2.55Å; N535-N573 PolarHBondContact N-OD1 2.91Å
536	L	83	Confident	80.5	Confident	4 Å²	4	42 Å²	42	2%	0.021	26%	0.262	C	S	.	.			trans	-61.2	144	178.6	-67.6	-178.5	0	0	0	111.3	K494 A533 K534 A538 L572 P574 V599 L611 L658	K494-L536 WeakPolarHBondContact O-CA 3.46Å; A533-L536 HydrophobicContact CB-CD1 4.02Å; A533-L536 HydrophobicContact CB-CD2 3.9Å; A533-L536 HydrophobicContact CB-CG 3.99Å; K534-L536 PolarHBondContact O-N 3.39Å; K534-L536 VanDerWaalsContact O-N 3.14Å; L536-A538 PolarHBondContact O-N 2.82Å; L536-L572 HydrophobicContact CB-CB 4.46Å; L536-L572 WeakPolarHBondContact CB-O 3.17Å; L536-L572 PolarHBondContact N-O 2.74Å; L536-P574 HydrophobicContact CD1-CG 3.71Å; L536-V599 HydrophobicContact CD1-CG1 4.15Å; L536-V599 HydrophobicContact CD2-CG1 4.2Å; L536-L611 HydrophobicContact CD1-CD1 4.09Å; L536-L658 HydrophobicContact CD2-CD1 3.43Å; L536-L658 VanDerWaalsContact CD2-CD1 3.43Å
537	T	77.7	Confident	80.5	Confident	59 Å²	59	42 Å²	42	36%	0.362	26%	0.262	S	S	.	.			trans	-60.8	124.6	172.7	-54.9	0	0	0	0	110.4	K494 A539 L611	K494-T537 PolarHBondContact O-N 3.05Å; K494-T537 VanDerWaalsContact O-N 3.08Å; K494-T537 PolarHBondContact O-OG1 2.97Å; T537-A539 PolarHBondContact O-N 3.04Å; T537-L611 WeakPolarHBondContact O-CD2 3.29Å
538	A	71.8	Confident	80.4	Confident	45 Å²	45	40.5 Å²	40.5	37%	0.372	26%	0.255	S	S	.	.			trans	-70.6	109.7	177	0	0	0	0	0	111.5	L536 L572	L536-A538 PolarHBondContact O-N 2.82Å; A538-L572 HydrophobicContact CB-CD1 4.04Å; A538-L572 HydrophobicContact CB-CD2 3.79Å
539	A	64.1	Low	80.4	Confident	43 Å²	43	40.5 Å²	40.5	36%	0.355	26%	0.255	S	S	.	.			trans	-79.2	-31.9	178.4	0	0	0	0	0	113.1	T537 S545 D601 L611	T537-A539 PolarHBondContact O-N 3.04Å; A539-S545 PolarHBondContact N-OG 2.88Å; A539-S545 VanDerWaalsContact N-OG 3.14Å; A539-D601 HydrophobicContact CB-CB 4.02Å; A539-L611 HydrophobicContact CB-CD2 4.23Å
540	K	61.6	Low	80.2	Confident	43 Å²	43	37.6 Å²	37.6	19%	0.187	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-98	148.1	-170	-47.9	-163.7	179.5	-158	0	112.6	G542 G543 T544 D546 D601 R602 E603	K540-G542 PolarHBondContact O-N 2.78Å; K540-G543 PolarHBondContact O-N 3.03Å; K540-T544 VanDerWaalsContact CB-O 3.29Å; K540-T544 WeakPolarHBondContact CB-O 3.29Å; K540-T544 WeakPolarHBondContact CG-O 3.4Å; K540-T544 PolarHBondContact N-O 2.95Å; K540-D546 WeakPolarHBondContact CE-OD2 2.92Å; K540-D546 IonicContact NZ-OD2 3.7Å; K540-D546 PolarHBondContact NZ-OD2 2.82Å; K540-D601 VanDerWaalsContact CE-CG 3.46Å; K540-D601 WeakPolarHBondContact CE-OD1 3.46Å; K540-D601 WeakPolarHBondContact CE-OD2 3.24Å; K540-D601 IonicContact NZ-OD2 2.74Å; K540-D601 PolarHBondContact NZ-OD2 3.34Å; K540-R602 PolarHBondContact NZ-O 2.93Å; K540-E603 WeakPolarHBondContact CE-OE2 3.4Å; K540-E603 IonicContact NZ-OE2 3.51Å; K540-E603 PolarHBondContact NZ-OE2 3.29Å
541	S	45.8	Very low	80	Confident	140 Å²	140	37.6 Å²	37.6	98%	0.979	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-11.7	-178.7	-38.7	0	0	0	0	115.6
542	G	51.4	Low	79.8	Confident	60 Å²	60	38.4 Å²	38.4	62%	0.619	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	23.8	174	0	0	0	0	0	114.4	K540 T544	K540-G542 PolarHBondContact O-N 2.78Å; G542-T544 VanDerWaalsContact C-N 3.27Å; G542-T544 PolarHBondContact O-N 2.69Å; G542-T544 PolarHBondContact O-OG1 2.71Å
543	G	64	Low	79.6	Confident	47 Å²	47	36.8 Å²	36.8	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	24.5	174.4	0	0	0	0	0	115	K540	K540-G543 PolarHBondContact O-N 3.03Å
544	T	74.1	Confident	79.2	Confident	44 Å²	44	36.8 Å²	36.8	27%	0.27	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-144.1	166.2	-172.2	43	0	0	0	0	110.9	K540 G542 K570	K540-T544 VanDerWaalsContact CB-O 3.29Å; K540-T544 WeakPolarHBondContact CB-O 3.29Å; K540-T544 WeakPolarHBondContact CG-O 3.4Å; K540-T544 PolarHBondContact N-O 2.95Å; G542-T544 VanDerWaalsContact C-N 3.27Å; G542-T544 PolarHBondContact O-N 2.69Å; G542-T544 PolarHBondContact O-OG1 2.71Å; T544-K570 WeakPolarHBondContact CG2-O 3.34Å
545	S	81.5	Confident	78.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	25%	0.247	C	C	.	.			trans	-135	152.6	178	-96.3	0	0	0	0	112.7	A539 K570 T571 D601	A539-S545 PolarHBondContact N-OG 2.88Å; A539-S545 VanDerWaalsContact N-OG 3.14Å; S545-K570 CarbonylContact O-C 3.52Å; S545-K570 VanDerWaalsContact O-CA 3.31Å; S545-K570 WeakPolarHBondContact O-CA 3.12Å; S545-K570 PolarHBondContact O-N 3.04Å; S545-T571 PolarHBondContact O-N 3.37Å; S545-D601 WeakPolarHBondContact CA-OD1 3.48Å; S545-D601 WeakPolarHBondContact CB-OD1 3.41Å; S545-D601 PolarHBondContact OG-OD1 3.49Å
546	D	86	Confident	78.1	Confident	26 Å²	26	36 Å²	36	14%	0.139	24%	0.24	C	C	.	.			trans	-106	71.5	177.3	-68.5	-38.6	0	0	0	109.3	K540 V567 M568 K569 K570 D601 R602	K540-D546 WeakPolarHBondContact CE-OD2 2.92Å; K540-D546 IonicContact NZ-OD2 3.7Å; K540-D546 PolarHBondContact NZ-OD2 2.82Å; D546-V567 HydrophobicContact CB-CG1 4.33Å; D546-V567 WeakPolarHBondContact O-CG1 3.22Å; D546-M568 CarbonylContact C-O 3.42Å; D546-K569 HydrophobicContact CB-CG 4.49Å; D546-K569 WeakPolarHBondContact OD1-CA 3.37Å; D546-K569 WeakPolarHBondContact OD1-CB 3.41Å; D546-K570 PolarHBondContact OD1-N 2.87Å; D546-D601 PolarHBondContact N-OD1 2.91Å; D546-R602 PolarHBondContact O-N 3.22Å
547	S	90.6	Very high	77.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	151.9	-159.8	70.5	0	0	0	0	115.4	V567 M568 P574 Y576 W600	S547-V567 CarbonylContact O-C 3.53Å; S547-V567 WeakPolarHBondContact O-CA 3.38Å; S547-M568 PolarHBondContact N-O 2.81Å; S547-M568 PolarHBondContact O-N 3.09Å; S547-P574 WeakPolarHBondContact OG-CB 3.21Å; S547-P574 WeakPolarHBondContact OG-CG 3.36Å; S547-Y576 WeakPolarHBondContact CB-OH 3.26Å; S547-Y576 PolarHBondContact OG-OH 2.84Å; S547-W600 CarbonylContact C-O 3.48Å; S547-W600 WeakPolarHBondContact CA-O 3.48Å
548	F	93.8	Very high	76.7	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	159.9	169.1	64.5	-86.7	0	0	0	111.4	K550 K564 V567 V599 W600 R602 N608	F548-K550 HydrophobicContact CD2-CG 4.24Å; F548-K550 HydrophobicContact CE2-CD 3.75Å; F548-K550 VanDerWaalsContact CE2-CE 3.49Å; F548-K550 HydrophobicContact CE2-CG 3.87Å; F548-K564 HydrophobicContact CD2-CG 4.26Å; F548-V567 HydrophobicContact CB-CG2 4.08Å; F548-V567 HydrophobicContact CD1-CG1 4.49Å; F548-V567 HydrophobicContact CD1-CG2 4.09Å; F548-V567 HydrophobicContact CG-CG2 4.28Å; F548-V599 WeakPolarHBondContact O-CA 3.42Å; F548-W600 HydrophobicContact CD1-CB 4.28Å; F548-W600 HydrophobicContact CD2-CB 4.28Å; F548-W600 HydrophobicContact CE1-CB 3.69Å; F548-W600 HydrophobicContact CE2-CB 3.66Å; F548-W600 AromaticContact CE2-CD1 3.99Å; F548-W600 AromaticContact CE2-CG 3.98Å; F548-W600 HydrophobicContact CE2-CG 3.98Å; F548-W600 HydrophobicContact CZ-CB 3.36Å; F548-W600 AromaticContact CZ-CG 3.98Å; F548-W600 HydrophobicContact CZ-CG 3.98Å; F548-W600 PolarHBondContact N-O 3.07Å; F548-W600 PolarHBondContact O-N 3.36Å; F548-R602 HydrophobicContact CD1-CB 3.91Å; F548-R602 HydrophobicContact CE1-CB 3.69Å; F548-R602 HydrophobicContact CE1-CG 4.46Å; F548-N608 HydrophobicContact CZ-CB 4.44Å
549	V	94.8	Very high	76.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.2	177.6	-167.4	0	0	0	0	110.5	L497 I530 K564 T565 Y576 L597 T598 V599	L497-V549 HydrophobicContact CD1-CG2 4.18Å; I530-V549 HydrophobicContact CG2-CB 4.41Å; I530-V549 HydrophobicContact CG2-CG2 3.94Å; V549-K564 CarbonylContact O-C 3.6Å; V549-K564 VanDerWaalsContact O-CA 3.28Å; V549-K564 WeakPolarHBondContact O-CA 3.02Å; V549-T565 HydrophobicContact CB-CG2 3.95Å; V549-T565 HydrophobicContact CG2-CG2 4.36Å; V549-T565 PolarHBondContact N-OG1 3.37Å; V549-T565 PolarHBondContact O-N 2.9Å; V549-Y576 HydrophobicContact CG2-CD2 3.91Å; V549-Y576 HydrophobicContact CG2-CE1 4.27Å; V549-Y576 HydrophobicContact CG2-CE2 3.45Å; V549-Y576 VanDerWaalsContact CG2-CE2 3.45Å; V549-Y576 HydrophobicContact CG2-CG 4.45Å; V549-L597 HydrophobicContact CG1-CB 4.44Å; V549-T598 CarbonylContact C-O 3.55Å; V549-T598 WeakPolarHBondContact CA-O 3.34Å; V549-V599 HydrophobicContact CG2-CG2 4.2Å
550	K	93.2	Very high	76.1	Confident	17 Å²	17	49.1 Å²	49.1	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128	168.7	-82.9	168.1	176.2	158.2	0	109.2	F548 Y552 R563 K564 T598	F548-K550 HydrophobicContact CD2-CG 4.24Å; F548-K550 HydrophobicContact CE2-CD 3.75Å; F548-K550 VanDerWaalsContact CE2-CE 3.49Å; F548-K550 HydrophobicContact CE2-CG 3.87Å; K550-Y552 HydrophobicContact CB-CE2 4.26Å; K550-R563 CarbonylContact C-O 3.51Å; K550-R563 WeakPolarHBondContact CA-O 3.37Å; K550-K564 HydrophobicContact CG-CB 4.48Å; K550-K564 HydrophobicContact CG-CG 4.31Å; K550-T598 PolarHBondContact N-O 3.39Å; K550-T598 PolarHBondContact O-N 2.88Å; K550-T598 PolarHBondContact O-OG1 3.46Å
551	G	92.5	Very high	76.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.2	175.9	0	0	0	0	0	112.7	K562 R563 E596	G551-K562 WeakPolarHBondContact O-CA 3.49Å; G551-R563 PolarHBondContact N-O 2.78Å; G551-R563 PolarHBondContact O-N 2.92Å; G551-E596 CarbonylContact C-O 3.56Å; G551-E596 WeakPolarHBondContact CA-O 3.35Å
552	Y	90	Very high	78.4	Confident	54 Å²	54	42.6 Å²	42.6	21%	0.212	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139	172.8	-58	-86.7	0	0	0	110.2	K550 K562 E596	K550-Y552 HydrophobicContact CB-CE2 4.26Å; Y552-K562 HydrophobicContact CD1-CB 4.12Å; Y552-K562 HydrophobicContact CD1-CG 4.2Å; Y552-K562 HydrophobicContact CE1-CB 3.85Å; Y552-K562 HydrophobicContact CE1-CD 3.75Å; Y552-K562 HydrophobicContact CE1-CG 3.59Å; Y552-K562 WeakPolarHBondContact OH-CE 3.43Å; Y552-E596 PolarHBondContact N-O 2.86Å; Y552-E596 PolarHBondContact O-N 2.85Å
553	L	88.4	Confident	80.2	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	103.7	170.5	-172.2	63	0	0	0	109	L526 M556 Y582 V585 M593 L595	L526-L553 HydrophobicContact CD2-CD1 4.18Å; L553-M556 CarbonylContact O-C 3.51Å; L553-M556 WeakPolarHBondContact O-CA 3.39Å; L553-M556 WeakPolarHBondContact O-CB 3.26Å; L553-M556 PolarHBondContact O-N 2.93Å; L553-Y582 HydrophobicContact CB-CD1 3.77Å; L553-Y582 HydrophobicContact CB-CE1 3.75Å; L553-Y582 HydrophobicContact CD2-CD1 4.08Å; L553-Y582 HydrophobicContact CD2-CG 4.28Å; L553-V585 HydrophobicContact CD2-CG2 3.73Å; L553-M593 HydrophobicContact CD1-CB 4.21Å; L553-M593 HydrophobicContact CD1-SD 4.26Å; L553-M593 HydrophobicContact CD2-CE 4.49Å; L553-M593 HydrophobicContact CD2-SD 3.86Å; L553-M593 HydrophobicContact CG-SD 4.06Å; L553-L595 HydrophobicContact CD1-CB 4.39Å
554	L	85.7	Confident	81.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	142.6	178.8	-52.5	-178.2	0	0	0	109.7	R557 M593 C594 E596 W630	L554-R557 HydrophobicContact CD2-CG 3.43Å; L554-R557 VanDerWaalsContact CD2-CG 3.43Å; L554-R557 VanDerWaalsContact CD2-NE 3.33Å; L554-M593 WeakPolarHBondContact O-CA 3.39Å; L554-M593 WeakPolarHBondContact O-CB 3.3Å; L554-C594 HydrophobicContact CB-CB 4.45Å; L554-C594 WeakPolarHBondContact CB-O 3.06Å; L554-C594 PolarHBondContact N-O 3.44Å; L554-C594 PolarHBondContact O-N 2.71Å; L554-E596 HydrophobicContact CD1-CB 3.88Å; L554-E596 HydrophobicContact CG-CB 4.13Å; L554-W630 HydrophobicContact CB-CD2 3.97Å; L554-W630 HydrophobicContact CB-CE3 3.68Å; L554-W630 HydrophobicContact CB-CH2 4.38Å; L554-W630 HydrophobicContact CB-CZ3 3.88Å; L554-W630 HydrophobicContact CD1-CB 3.53Å; L554-W630 HydrophobicContact CD1-CD2 3.91Å; L554-W630 HydrophobicContact CD1-CE3 4.02Å; L554-W630 HydrophobicContact CD1-CG 3.72Å
555	P	75.8	Confident	82.5	Confident	72 Å²	72	41.2 Å²	41.2	47%	0.468	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.5	-2	10.1	31.8	-36.3	0	0	0	115.9	R557 W630	P555-R557 VanDerWaalsContact C-N 3.32Å; P555-R557 PolarHBondContact O-N 3.25Å; P555-W630 HydrophobicContact CB-CH2 4.08Å; P555-W630 HydrophobicContact CB-CZ2 3.88Å; P555-W630 HydrophobicContact CG-CH2 4.43Å
556	M	73.6	Confident	82.9	Confident	94 Å²	94	44.4 Å²	44.4	46%	0.463	22%	0.223	S	C	.	.			trans	-74.3	69.7	-172.1	-58.9	177.8	72	0	0	113.7	L553 N558 S561 M593	L553-M556 CarbonylContact O-C 3.51Å; L553-M556 WeakPolarHBondContact O-CA 3.39Å; L553-M556 WeakPolarHBondContact O-CB 3.26Å; L553-M556 PolarHBondContact O-N 2.93Å; M556-N558 PolarHBondContact O-N 3.49Å; M556-S561 WeakPolarHBondContact O-CB 3.5Å; M556-S561 PolarHBondContact O-OG 3.27Å; M556-M593 HydrophobicContact SD-CE 4.28Å
557	R	65.8	Low	83.1	Confident	144 Å²	144	44.7 Å²	44.7	54%	0.543	23%	0.226	S	C	.	.			trans	-75.5	40.2	176.7	-73	-174.7	158.1	153.9	-0.8	114.8	L554 P555 E596	L554-R557 HydrophobicContact CD2-CG 3.43Å; L554-R557 VanDerWaalsContact CD2-CG 3.43Å; L554-R557 VanDerWaalsContact CD2-NE 3.33Å; P555-R557 VanDerWaalsContact C-N 3.32Å; P555-R557 PolarHBondContact O-N 3.25Å; R557-E596 IonicContact CZ-OE1 3.73Å; R557-E596 IonicContact NH2-OE1 2.71Å; R557-E596 PolarHBondContact NH2-OE1 3.33Å; R557-E596 IonicContact NH2-OE2 3.94Å
558	N	67.2	Low	83	Confident	76 Å²	76	47.5 Å²	47.5	41%	0.406	24%	0.239	S	C	.	.	S	Bend	trans	-90.7	161.9	174.2	68.6	24.1	0	0	0	111.8	M556 A560 S561	M556-N558 PolarHBondContact O-N 3.49Å; N558-A560 PolarHBondContact O-N 2.88Å; N558-A560 PolarHBondContact OD1-N 3.34Å; N558-S561 PolarHBondContact O-N 2.72Å; N558-S561 PolarHBondContact O-OG 3.32Å; N558-S561 WeakPolarHBondContact OD1-CB 3.3Å; N558-S561 PolarHBondContact OD1-N 2.8Å; N558-S561 PolarHBondContact OD1-OG 2.73Å
559	K	59.3	Low	82.6	Confident	132 Å²	132	54.4 Å²	54.4	57%	0.574	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58.1	-34.3	176.5	-87	-162.5	169.5	-162.8	0	112	E306 S561 K562	E306-K559 IonicContact OE1-NZ 2.75Å; E306-K559 PolarHBondContact OE1-NZ 3.45Å; K559-S561 PolarHBondContact O-N 2.7Å; K559-K562 WeakPolarHBondContact O-CB 3.46Å; K559-K562 PolarHBondContact O-N 3.17Å
560	A	63.6	Low	82	Confident	73 Å²	73	62 Å²	62	60%	0.603	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-73.3	-22.8	-173.7	0	0	0	0	0	115.2	N558 R563	N558-A560 PolarHBondContact O-N 2.88Å; N558-A560 PolarHBondContact OD1-N 3.34Å; A560-R563 PolarHBondContact O-NH1 3.35Å
561	S	71.3	Confident	81.4	Confident	10 Å²	10	63.1 Å²	63.1	7%	0.07	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-84	-21.6	174.5	72.6	0	0	0	0	112.7	M556 N558 K559 Y582	M556-S561 WeakPolarHBondContact O-CB 3.5Å; M556-S561 PolarHBondContact O-OG 3.27Å; N558-S561 PolarHBondContact O-N 2.72Å; N558-S561 PolarHBondContact O-OG 3.32Å; N558-S561 WeakPolarHBondContact OD1-CB 3.3Å; N558-S561 PolarHBondContact OD1-N 2.8Å; N558-S561 PolarHBondContact OD1-OG 2.73Å; K559-S561 PolarHBondContact O-N 2.7Å; S561-Y582 WeakPolarHBondContact O-CE1 3.34Å
562	K	84.7	Confident	81	Confident	37 Å²	37	65.4 Å²	65.4	16%	0.161	32%	0.323	C	S	.	.			trans	-61.2	140	-178.3	-176.7	177.7	176	172.7	0	111.1	E309 G551 Y552 K559	E309-K562 IonicContact OE1-NZ 3.59Å; E309-K562 PolarHBondContact OE1-NZ 3.28Å; E309-K562 IonicContact OE2-NZ 3.22Å; E309-K562 PolarHBondContact OE2-NZ 2.8Å; G551-K562 WeakPolarHBondContact O-CA 3.49Å; Y552-K562 HydrophobicContact CD1-CB 4.12Å; Y552-K562 HydrophobicContact CD1-CG 4.2Å; Y552-K562 HydrophobicContact CE1-CB 3.85Å; Y552-K562 HydrophobicContact CE1-CD 3.75Å; Y552-K562 HydrophobicContact CE1-CG 3.59Å; Y552-K562 WeakPolarHBondContact OH-CE 3.43Å; K559-K562 WeakPolarHBondContact O-CB 3.46Å; K559-K562 PolarHBondContact O-N 3.17Å
563	R	88.8	Confident	81	Confident	77 Å²	77	66.4 Å²	66.4	29%	0.291	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.1	172.3	-58.8	-71.4	179.3	-93.8	-1.7	109.6	K550 G551 A560 F580 V581 Y582	K550-R563 CarbonylContact C-O 3.51Å; K550-R563 WeakPolarHBondContact CA-O 3.37Å; G551-R563 PolarHBondContact N-O 2.78Å; G551-R563 PolarHBondContact O-N 2.92Å; A560-R563 PolarHBondContact O-NH1 3.35Å; R563-F580 HydrophobicContact CB-CB 3.83Å; R563-F580 HydrophobicContact CB-CD1 3.43Å; R563-F580 VanDerWaalsContact CB-CD1 3.43Å; R563-F580 HydrophobicContact CB-CD2 3.76Å; R563-F580 HydrophobicContact CB-CE1 3.8Å; R563-F580 HydrophobicContact CB-CE2 4.1Å; R563-F580 HydrophobicContact CB-CG 3.4Å; R563-F580 HydrophobicContact CB-CZ 4.11Å; R563-F580 HydrophobicContact CG-CB 3.91Å; R563-F580 HydrophobicContact CG-CD1 4.33Å; R563-F580 HydrophobicContact CG-CG 4.06Å; R563-V581 PolarHBondContact NE-O 2.95Å; R563-V581 PolarHBondContact NH2-O 2.82Å; R563-Y582 HydrophobicContact CG-CE1 4.07Å; R563-Y582 HydrophobicContact CG-CE2 4.43Å
564	K	92.2	Very high	81.1	Confident	42 Å²	42	66.2 Å²	66.2	18%	0.183	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.2	-173.2	179	-174.6	156.9	-163.7	0	109.7	E305 F548 V549 K550 F580	E305-K564 IonicContact OE1-NZ 2.83Å; E305-K564 PolarHBondContact OE1-NZ 2.87Å; E305-K564 WeakPolarHBondContact OE2-CE 3.3Å; E305-K564 IonicContact OE2-NZ 2.74Å; E305-K564 PolarHBondContact OE2-NZ 3.06Å; F548-K564 HydrophobicContact CD2-CG 4.26Å; V549-K564 CarbonylContact O-C 3.6Å; V549-K564 VanDerWaalsContact O-CA 3.28Å; V549-K564 WeakPolarHBondContact O-CA 3.02Å; K550-K564 HydrophobicContact CG-CB 4.48Å; K550-K564 HydrophobicContact CG-CG 4.31Å; K564-F580 VanDerWaalsContact C-CE1 3.48Å
565	T	93.2	Very high	81.4	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.012	36%	0.355	C	S	.	.			trans	-85.8	158.6	173.2	67	0	0	0	0	111.3	I530 V549 Y576 H578 F580	I530-T565 HydrophobicContact CB-CG2 4.27Å; I530-T565 HydrophobicContact CG1-CG2 4.35Å; I530-T565 HydrophobicContact CG2-CG2 4.27Å; V549-T565 HydrophobicContact CB-CG2 3.95Å; V549-T565 HydrophobicContact CG2-CG2 4.36Å; V549-T565 PolarHBondContact N-OG1 3.37Å; V549-T565 PolarHBondContact O-N 2.9Å; T565-Y576 HydrophobicContact CG2-CD1 4.42Å; T565-Y576 HydrophobicContact CG2-CG 4.32Å; T565-H578 HydrophobicContact CG2-CB 4.14Å; T565-F580 HydrophobicContact CG2-CE1 3.79Å; T565-F580 HydrophobicContact CG2-CZ 3.75Å
566	P	91.2	Very high	82.2	Confident	68 Å²	68	68.4 Å²	68.4	44%	0.442	33%	0.334	S	S	.	.			trans	-53	156.3	160.4	-25.1	35.2	0	0	0	112.5	M568	P566-M568 HydrophobicContact CB-CE 4.47Å
567	V	90.3	Very high	83.1	Confident	32 Å²	32	68.6 Å²	68.6	19%	0.194	34%	0.337	C	S	.	.			trans	-89.4	111.9	-176.2	-175.5	0	0	0	0	111	D546 S547 F548 K569 R602	D546-V567 HydrophobicContact CB-CG1 4.33Å; D546-V567 WeakPolarHBondContact O-CG1 3.22Å; S547-V567 CarbonylContact O-C 3.53Å; S547-V567 WeakPolarHBondContact O-CA 3.38Å; F548-V567 HydrophobicContact CB-CG2 4.08Å; F548-V567 HydrophobicContact CD1-CG1 4.49Å; F548-V567 HydrophobicContact CD1-CG2 4.09Å; F548-V567 HydrophobicContact CG-CG2 4.28Å; V567-K569 HydrophobicContact CG1-CG 4.33Å; V567-K569 PolarHBondContact O-N 2.81Å; V567-R602 HydrophobicContact CG1-CB 3.98Å
568	M	87.3	Confident	84.5	Confident	58 Å²	58	65 Å²	65	29%	0.286	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-87.5	103.5	178.9	-66.3	-58.2	165.8	0	0	110.5	D546 S547 P566 T571 P574 H575 Y576	D546-M568 CarbonylContact C-O 3.42Å; S547-M568 PolarHBondContact N-O 2.81Å; S547-M568 PolarHBondContact O-N 3.09Å; P566-M568 HydrophobicContact CB-CE 4.47Å; M568-T571 HydrophobicContact CB-CG2 4.28Å; M568-P574 HydrophobicContact CB-CB 3.6Å; M568-P574 HydrophobicContact CG-CB 4.09Å; M568-H575 WeakPolarHBondContact CE-O 3.35Å; M568-Y576 HydrophobicContact CB-CD1 4.38Å; M568-Y576 HydrophobicContact CB-CE1 4.09Å; M568-Y576 HydrophobicContact CG-CD1 3.63Å; M568-Y576 HydrophobicContact CG-CE1 3.85Å
569	K	86.1	Confident	85.7	Confident	150 Å²	150	64 Å²	64	65%	0.652	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	143.1	-167.9	-67.5	164	-172.6	164	0	112.8	D546 V567 T571	D546-K569 HydrophobicContact CB-CG 4.49Å; D546-K569 WeakPolarHBondContact OD1-CA 3.37Å; D546-K569 WeakPolarHBondContact OD1-CB 3.41Å; V567-K569 HydrophobicContact CG1-CG 4.33Å; V567-K569 PolarHBondContact O-N 2.81Å; K569-T571 PolarHBondContact O-N 2.84Å
570	K	81.2	Confident	87.4	Confident	159 Å²	159	57.8 Å²	57.8	69%	0.691	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.7	172.8	-56.8	177	-178.3	173.6	0	116	T544 S545 D546	T544-K570 WeakPolarHBondContact CG2-O 3.34Å; S545-K570 CarbonylContact O-C 3.52Å; S545-K570 VanDerWaalsContact O-CA 3.31Å; S545-K570 WeakPolarHBondContact O-CA 3.12Å; S545-K570 PolarHBondContact O-N 3.04Å; D546-K570 PolarHBondContact OD1-N 2.87Å
571	T	81.8	Confident	88.8	Confident	41 Å²	41	56.5 Å²	56.5	25%	0.252	28%	0.281	S	S	.	.			trans	-139.2	148.5	177.5	-177.6	0	0	0	0	112.4	S545 M568 K569 N573 P574	S545-T571 PolarHBondContact O-N 3.37Å; M568-T571 HydrophobicContact CB-CG2 4.28Å; K569-T571 PolarHBondContact O-N 2.84Å; T571-N573 VanDerWaalsContact OG1-C 3.27Å; T571-N573 PolarHBondContact OG1-N 2.83Å; T571-N573 PolarHBondContact OG1-O 2.92Å; T571-N573 VanDerWaalsContact OG1-O 3.07Å; T571-P574 HydrophobicContact CG2-CB 3.8Å
572	L	84.6	Confident	89.7	Confident	48 Å²	48	56.4 Å²	56.4	25%	0.251	28%	0.279	S	S	.	.	S	Bend	trans	-99.7	-7.6	169.2	-52.2	-176.4	0	0	0	112.4	N535 L536 A538 P574	N535-L572 PolarHBondContact N-O 2.55Å; L536-L572 HydrophobicContact CB-CB 4.46Å; L536-L572 WeakPolarHBondContact CB-O 3.17Å; L536-L572 PolarHBondContact N-O 2.74Å; A538-L572 HydrophobicContact CB-CD1 4.04Å; A538-L572 HydrophobicContact CB-CD2 3.79Å; L572-P574 VanDerWaalsContact C-CD 3.44Å
573	N	89.1	Confident	89.8	Confident	74 Å²	74	60 Å²	60	40%	0.396	30%	0.3	S	S	.	.	S	Bend	trans	-125.8	73.7	174.8	-60.1	-63.9	0	0	0	108.5	A533 K534 N535 T571	A533-N573 CarbonylContact O-C 3.53Å; A533-N573 WeakPolarHBondContact O-CA 3.43Å; K534-N573 VanDerWaalsContact CA-OD1 3.27Å; K534-N573 WeakPolarHBondContact CA-OD1 3.43Å; N535-N573 PolarHBondContact N-OD1 2.91Å; T571-N573 VanDerWaalsContact OG1-C 3.27Å; T571-N573 PolarHBondContact OG1-N 2.83Å; T571-N573 PolarHBondContact OG1-O 2.92Å; T571-N573 VanDerWaalsContact OG1-O 3.07Å
574	P	90.1	Very high	89.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.307	C	S	.	.			trans	-77.7	131.8	179.3	31.2	-37	0	0	0	111.7	E532 A533 L536 S547 M568 T571 L572 Y576	E532-P574 CarbonylContact C-O 3.52Å; E532-P574 WeakPolarHBondContact CA-O 3.22Å; E532-P574 WeakPolarHBondContact CB-O 3.39Å; A533-P574 HydrophobicContact CB-CG 3.8Å; A533-P574 PolarHBondContact N-O 2.92Å; A533-P574 WeakPolarHBondContact O-CD 3.43Å; L536-P574 HydrophobicContact CD1-CG 3.71Å; S547-P574 WeakPolarHBondContact OG-CB 3.21Å; S547-P574 WeakPolarHBondContact OG-CG 3.36Å; M568-P574 HydrophobicContact CB-CB 3.6Å; M568-P574 HydrophobicContact CG-CB 4.09Å; T571-P574 HydrophobicContact CG2-CB 3.8Å; L572-P574 VanDerWaalsContact C-CD 3.44Å; P574-Y576 HydrophobicContact CB-CD1 4.43Å; P574-Y576 HydrophobicContact CB-CE1 3.82Å; P574-Y576 HydrophobicContact CB-CE2 4.09Å; P574-Y576 HydrophobicContact CG-CE1 4.13Å; P574-Y576 HydrophobicContact CG-CE2 3.68Å; P574-Y576 VanDerWaalsContact CG-CZ 3.42Å; P574-Y576 WeakPolarHBondContact CG-OH 3.13Å
575	H	92.3	Very high	89.3	Confident	109 Å²	109	56.6 Å²	56.6	51%	0.505	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.6	164	-51	-82.4	0	0	0	108.4	K531 E532 M568	K531-H575 CarbonylContact O-C 3.54Å; E532-H575 HydrophobicContact CB-CB 4.49Å; E532-H575 IonicContact OE2-CE1 3.13Å; E532-H575 PolarHBondContact OE2-CE1 2.85Å; E532-H575 IonicContact OE2-ND1 2.73Å; E532-H575 PolarHBondContact OE2-ND1 3.03Å; M568-H575 WeakPolarHBondContact CE-O 3.35Å
576	Y	93.1	Very high	89	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.039	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-38	-179.1	-57.9	-69.7	0	0	0	112.5	L497 I530 K531 A533 S547 V549 T565 M568 P574 H578	L497-Y576 HydrophobicContact CD1-CE2 4.38Å; I530-Y576 HydrophobicContact CG2-CD2 3.69Å; I530-Y576 HydrophobicContact CG2-CE2 4.48Å; I530-Y576 HydrophobicContact CG2-CG 4.18Å; K531-Y576 PolarHBondContact O-N 3.03Å; A533-Y576 HydrophobicContact CB-CE2 4.03Å; S547-Y576 WeakPolarHBondContact CB-OH 3.26Å; S547-Y576 PolarHBondContact OG-OH 2.84Å; V549-Y576 HydrophobicContact CG2-CD2 3.91Å; V549-Y576 HydrophobicContact CG2-CE1 4.27Å; V549-Y576 HydrophobicContact CG2-CE2 3.45Å; V549-Y576 VanDerWaalsContact CG2-CE2 3.45Å; V549-Y576 HydrophobicContact CG2-CG 4.45Å; T565-Y576 HydrophobicContact CG2-CD1 4.42Å; T565-Y576 HydrophobicContact CG2-CG 4.32Å; M568-Y576 HydrophobicContact CB-CD1 4.38Å; M568-Y576 HydrophobicContact CB-CE1 4.09Å; M568-Y576 HydrophobicContact CG-CD1 3.63Å; M568-Y576 HydrophobicContact CG-CE1 3.85Å; P574-Y576 HydrophobicContact CB-CD1 4.43Å; P574-Y576 HydrophobicContact CB-CE1 3.82Å; P574-Y576 HydrophobicContact CB-CE2 4.09Å; P574-Y576 HydrophobicContact CG-CE1 4.13Å; P574-Y576 HydrophobicContact CG-CE2 3.68Å; P574-Y576 VanDerWaalsContact CG-CZ 3.42Å; P574-Y576 WeakPolarHBondContact CG-OH 3.13Å; Y576-H578 PolarHBondContact O-N 3.49Å
577	N	93	Very high	88.6	Confident	98 Å²	98	62.6 Å²	62.6	52%	0.524	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.4	35.9	-178.6	-69.8	-43.6	0	0	0	115.1	I530 K531	I530-N577 CarbonylContact O-C 3.58Å; I530-N577 WeakPolarHBondContact O-CA 3.48Å; I530-N577 PolarHBondContact O-N 3.39Å; K531-N577 PolarHBondContact O-N 3.29Å
578	H	93.3	Very high	88.3	Confident	67 Å²	67	66.6 Å²	66.6	31%	0.31	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.1	-168.6	-179.1	96.4	0	0	0	111.4	I530 T565 Y576 F580	I530-H578 PolarHBondContact N-O 3.04Å; I530-H578 PolarHBondContact O-N 3.49Å; T565-H578 HydrophobicContact CG2-CB 4.14Å; Y576-H578 PolarHBondContact O-N 3.49Å; H578-F580 AromaticContact CD2-CD1 3.51Å; H578-F580 AromaticContact CD2-CE1 3.49Å; H578-F580 VanDerWaalsContact CD2-CE1 3.49Å; H578-F580 WeakPolarHBondContact CD2-CE1 3.47Å; H578-F580 AromaticContact NE2-CD1 3.77Å; H578-F580 AromaticContact NE2-CE1 3.86Å
579	T	94.3	Very high	88.1	Confident	57 Å²	57	65.5 Å²	65.5	35%	0.35	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.3	-173.1	-57.1	0	0	0	0	111.9	Q527 V528 V581 W651	Q527-T579 HydrophobicContact CB-CG2 4.33Å; V528-T579 CarbonylContact O-C 3.58Å; V528-T579 WeakPolarHBondContact O-CA 3.34Å; T579-V581 HydrophobicContact CG2-CG2 4.27Å; T579-W651 HydrophobicContact CG2-CH2 4.28Å
580	F	94.9	Very high	88.2	Confident	1 Å²	1	58.3 Å²	58.3	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.1	169.1	-58.9	-20	0	0	0	110.1	V528 I530 R563 K564 T565 H578 Y582 L597	V528-F580 HydrophobicContact CB-CB 4.19Å; V528-F580 PolarHBondContact N-O 3.37Å; V528-F580 PolarHBondContact O-N 3.04Å; I530-F580 HydrophobicContact CD1-CD2 4.26Å; I530-F580 HydrophobicContact CD1-CE2 4.11Å; I530-F580 HydrophobicContact CG1-CD2 4.08Å; I530-F580 HydrophobicContact CG1-CE1 4.48Å; I530-F580 HydrophobicContact CG1-CE2 3.84Å; I530-F580 HydrophobicContact CG1-CZ 4.07Å; R563-F580 HydrophobicContact CB-CB 3.83Å; R563-F580 HydrophobicContact CB-CD1 3.43Å; R563-F580 VanDerWaalsContact CB-CD1 3.43Å; R563-F580 HydrophobicContact CB-CD2 3.76Å; R563-F580 HydrophobicContact CB-CE1 3.8Å; R563-F580 HydrophobicContact CB-CE2 4.1Å; R563-F580 HydrophobicContact CB-CG 3.4Å; R563-F580 HydrophobicContact CB-CZ 4.11Å; R563-F580 HydrophobicContact CG-CB 3.91Å; R563-F580 HydrophobicContact CG-CD1 4.33Å; R563-F580 HydrophobicContact CG-CG 4.06Å; K564-F580 VanDerWaalsContact C-CE1 3.48Å; T565-F580 HydrophobicContact CG2-CE1 3.79Å; T565-F580 HydrophobicContact CG2-CZ 3.75Å; H578-F580 AromaticContact CD2-CD1 3.51Å; H578-F580 AromaticContact CD2-CE1 3.49Å; H578-F580 VanDerWaalsContact CD2-CE1 3.49Å; H578-F580 WeakPolarHBondContact CD2-CE1 3.47Å; H578-F580 AromaticContact NE2-CD1 3.77Å; H578-F580 AromaticContact NE2-CE1 3.86Å; F580-Y582 HydrophobicContact CB-CE2 3.76Å; F580-L597 HydrophobicContact CD2-CD2 4.22Å; F580-L597 HydrophobicContact CE2-CD2 4.06Å
581	V	92.2	Very high	88.3	Confident	45 Å²	45	56.1 Å²	56.1	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.5	178.4	-174.1	0	0	0	0	110.5	E525 R563 T579 N583	E525-V581 HydrophobicContact CG-CG1 3.56Å; E525-V581 WeakPolarHBondContact OE1-CG1 3.47Å; R563-V581 PolarHBondContact NE-O 2.95Å; R563-V581 PolarHBondContact NH2-O 2.82Å; T579-V581 HydrophobicContact CG2-CG2 4.27Å; V581-N583 WeakPolarHBondContact CG1-OD1 3.47Å
582	Y	89.6	Confident	88.4	Confident	8 Å²	8	57.8 Å²	57.8	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113	179.2	-56.3	-97.4	0	0	0	109.2	E525 L526 V528 L553 S561 R563 F580 L595	E525-Y582 WeakPolarHBondContact CA-O 3.39Å; L526-Y582 HydrophobicContact CG-CD2 4.38Å; L526-Y582 PolarHBondContact N-O 3.11Å; L526-Y582 PolarHBondContact O-N 3.23Å; V528-Y582 HydrophobicContact CG2-CD2 4.28Å; V528-Y582 HydrophobicContact CG2-CE2 3.96Å; L553-Y582 HydrophobicContact CB-CD1 3.77Å; L553-Y582 HydrophobicContact CB-CE1 3.75Å; L553-Y582 HydrophobicContact CD2-CD1 4.08Å; L553-Y582 HydrophobicContact CD2-CG 4.28Å; S561-Y582 WeakPolarHBondContact O-CE1 3.34Å; R563-Y582 HydrophobicContact CG-CE1 4.07Å; R563-Y582 HydrophobicContact CG-CE2 4.43Å; F580-Y582 HydrophobicContact CB-CE2 3.76Å; Y582-L595 HydrophobicContact CE2-CD1 3.99Å
583	N	88.1	Confident	88.6	Confident	112 Å²	112	56.4 Å²	56.4	60%	0.599	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.1	-175.7	-60.4	-34.3	0	0	0	111.5	V581	V581-N583 WeakPolarHBondContact CG1-OD1 3.47Å
584	G	84.2	Confident	88.6	Confident	44 Å²	44	52.9 Å²	52.9	45%	0.454	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.3	15.2	174.4	0	0	0	0	0	114.5	G524	G524-G584 PolarHBondContact O-N 3.26Å
585	V	85.9	Confident	88.7	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.1	-179	-177.7	0	0	0	0	109.4	Y503 G524 L526 L553 L590 M593	Y503-V585 HydrophobicContact CE2-CB 4.47Å; Y503-V585 WeakPolarHBondContact CE2-O 3.21Å; Y503-V585 PolarHBondContact OH-O 2.75Å; Y503-V585 VanDerWaalsContact OH-O 3.11Å; G524-V585 WeakPolarHBondContact CA-O 3.21Å; G524-V585 PolarHBondContact N-O 3.36Å; G524-V585 PolarHBondContact O-N 2.99Å; L526-V585 HydrophobicContact CB-CG2 4.38Å; L553-V585 HydrophobicContact CD2-CG2 3.73Å; V585-L590 HydrophobicContact CG1-CD2 3.52Å; V585-L590 HydrophobicContact CG1-CG 4.04Å; V585-M593 HydrophobicContact CG1-SD 3.87Å
586	R	85.5	Confident	88.7	Confident	101 Å²	101	48.3 Å²	48.3	38%	0.381	25%	0.25	S	S	.	.			trans	-92.3	155.2	179.8	-47.6	176.5	-63.6	140.3	15.2	110.3	E522 E588 D589 L590	E522-R586 WeakPolarHBondContact O-CG 3.34Å; R586-E588 VanDerWaalsContact C-N 3.26Å; R586-E588 HydrophobicContact CB-CG 4.09Å; R586-E588 IonicContact CZ-OE1 2.63Å; R586-E588 IonicContact NH1-OE1 2.74Å; R586-E588 PolarHBondContact NH1-OE1 2.93Å; R586-E588 IonicContact NH2-OE1 3.34Å; R586-E588 PolarHBondContact NH2-OE1 3.07Å; R586-E588 PolarHBondContact O-N 3.11Å; R586-D589 WeakPolarHBondContact CB-OD2 3.34Å; R586-D589 VanDerWaalsContact CG-OD2 3.29Å; R586-D589 WeakPolarHBondContact CG-OD2 3.46Å; R586-D589 IonicContact CZ-OD1 3.68Å; R586-D589 IonicContact CZ-OD2 2.67Å; R586-D589 PolarHBondContact N-OD2 2.82Å; R586-D589 IonicContact NE-OD1 2.68Å; R586-D589 IonicContact NE-OD2 2.72Å; R586-D589 PolarHBondContact NE-OD2 3.19Å; R586-D589 IonicContact NH2-OD1 2.82Å; R586-D589 PolarHBondContact NH2-OD1 3.31Å; R586-D589 IonicContact NH2-OD2 2.99Å; R586-D589 PolarHBondContact O-N 3.15Å; R586-D589 VanDerWaalsContact O-N 3.14Å; R586-L590 PolarHBondContact O-N 3.08Å
587	L	83.2	Confident	88.8	Confident	95 Å²	95	47.8 Å²	47.8	50%	0.497	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.2	-177	-174.4	73.1	0	0	0	111.9	Y503 L590	Y503-L587 HydrophobicContact CD1-CD1 3.95Å; Y503-L587 HydrophobicContact CE1-CB 4.16Å; Y503-L587 HydrophobicContact CE1-CD1 3.6Å; Y503-L587 HydrophobicContact CE1-CG 4.48Å; Y503-L587 PolarHBondContact OH-N 3.39Å; L587-L590 HydrophobicContact CD1-CD1 4.26Å
588	E	83.6	Confident	88.7	Confident	115 Å²	115	43.5 Å²	43.5	54%	0.537	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-40	173.9	56.4	-171.2	-133.5	0	0	112.8	R586 L590 Q591	R586-E588 VanDerWaalsContact C-N 3.26Å; R586-E588 HydrophobicContact CB-CG 4.09Å; R586-E588 IonicContact CZ-OE1 2.63Å; R586-E588 IonicContact NH1-OE1 2.74Å; R586-E588 PolarHBondContact NH1-OE1 2.93Å; R586-E588 IonicContact NH2-OE1 3.34Å; R586-E588 PolarHBondContact NH2-OE1 3.07Å; R586-E588 PolarHBondContact O-N 3.11Å; E588-L590 PolarHBondContact O-N 2.78Å; E588-Q591 WeakPolarHBondContact O-CB 3.28Å; E588-Q591 PolarHBondContact O-N 3.37Å; E588-Q591 VanDerWaalsContact O-N 3.13Å
589	D	85.1	Confident	88.7	Confident	35 Å²	35	40.3 Å²	40.3	19%	0.187	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.1	-27.9	-179.5	-60.3	-38.3	0	0	0	112.4	R586 Q591 H592 M593	R586-D589 WeakPolarHBondContact CB-OD2 3.34Å; R586-D589 VanDerWaalsContact CG-OD2 3.29Å; R586-D589 WeakPolarHBondContact CG-OD2 3.46Å; R586-D589 IonicContact CZ-OD1 3.68Å; R586-D589 IonicContact CZ-OD2 2.67Å; R586-D589 PolarHBondContact N-OD2 2.82Å; R586-D589 IonicContact NE-OD1 2.68Å; R586-D589 IonicContact NE-OD2 2.72Å; R586-D589 PolarHBondContact NE-OD2 3.19Å; R586-D589 IonicContact NH2-OD1 2.82Å; R586-D589 PolarHBondContact NH2-OD1 3.31Å; R586-D589 IonicContact NH2-OD2 2.99Å; R586-D589 PolarHBondContact O-N 3.15Å; R586-D589 VanDerWaalsContact O-N 3.14Å; D589-Q591 PolarHBondContact O-N 2.99Å; D589-Q591 VanDerWaalsContact O-N 3.09Å; D589-H592 CarbonylContact O-C 3.51Å; D589-H592 PolarHBondContact O-N 3.02Å; D589-M593 HydrophobicContact CB-CE 3.81Å; D589-M593 HydrophobicContact CB-CG 4.37Å; D589-M593 HydrophobicContact CB-SD 3.92Å; D589-M593 WeakPolarHBondContact O-CB 3.39Å; D589-M593 WeakPolarHBondContact O-CG 3.46Å; D589-M593 PolarHBondContact O-N 3.39Å
590	L	86.2	Confident	88.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.8	-11.7	177.6	-63.3	175.1	0	0	0	114	Y503 L526 V585 R586 L587 E588 W641 M644 Q645	Y503-L590 HydrophobicContact CD1-CD1 4.06Å; Y503-L590 HydrophobicContact CD2-CD1 3.97Å; Y503-L590 HydrophobicContact CE1-CD1 4.29Å; Y503-L590 HydrophobicContact CE2-CD1 4.2Å; Y503-L590 HydrophobicContact CG-CD1 3.9Å; L526-L590 HydrophobicContact CD2-CD2 4.49Å; V585-L590 HydrophobicContact CG1-CD2 3.52Å; V585-L590 HydrophobicContact CG1-CG 4.04Å; R586-L590 PolarHBondContact O-N 3.08Å; L587-L590 HydrophobicContact CD1-CD1 4.26Å; E588-L590 PolarHBondContact O-N 2.78Å; L590-W641 HydrophobicContact CB-CZ2 4.23Å; L590-W641 HydrophobicContact CD2-CH2 3.83Å; L590-W641 HydrophobicContact CD2-CZ2 3.66Å; L590-W641 PolarHBondContact O-NE1 3.34Å; L590-M644 HydrophobicContact CD1-CE 4.16Å; L590-M644 HydrophobicContact CD2-CE 4.35Å; L590-Q645 HydrophobicContact CD1-CG 4.32Å; L590-Q645 PolarHBondContact O-NE2 3.09Å; L590-Q645 VanDerWaalsContact O-NE2 3.1Å
591	Q	84.9	Confident	88	Confident	112 Å²	112	40.7 Å²	40.7	52%	0.523	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-82.9	-16.7	171.1	-57.9	-171.6	12.7	0	0	113	E588 D589 V618	E588-Q591 WeakPolarHBondContact O-CB 3.28Å; E588-Q591 PolarHBondContact O-N 3.37Å; E588-Q591 VanDerWaalsContact O-N 3.13Å; D589-Q591 PolarHBondContact O-N 2.99Å; D589-Q591 VanDerWaalsContact O-N 3.09Å; Q591-V618 VanDerWaalsContact O-CG2 3.28Å; Q591-V618 WeakPolarHBondContact O-CG2 3.34Å
592	H	83.3	Confident	87.6	Confident	76 Å²	76	41.2 Å²	41.2	35%	0.352	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-9.1	-175.5	-58.5	-24.3	0	0	0	113.1	D589 S623 N624 W630	D589-H592 CarbonylContact O-C 3.51Å; D589-H592 PolarHBondContact O-N 3.02Å; H592-S623 PolarHBondContact O-OG 3.2Å; H592-N624 PolarHBondContact CD2-OD1 3.41Å; H592-N624 VanDerWaalsContact CD2-OD1 3.23Å; H592-W630 VanDerWaalsContact O-CH2 3.32Å; H592-W630 WeakPolarHBondContact O-CH2 3.4Å
593	M	88.2	Confident	87	Confident	20 Å²	20	43.7 Å²	43.7	10%	0.099	22%	0.215	C	C	.	.			trans	-90	156.3	172.7	-72	179	171.6	0	0	113.1	L553 L554 M556 V585 D589	L553-M593 HydrophobicContact CD1-CB 4.21Å; L553-M593 HydrophobicContact CD1-SD 4.26Å; L553-M593 HydrophobicContact CD2-CE 4.49Å; L553-M593 HydrophobicContact CD2-SD 3.86Å; L553-M593 HydrophobicContact CG-SD 4.06Å; L554-M593 WeakPolarHBondContact O-CA 3.39Å; L554-M593 WeakPolarHBondContact O-CB 3.3Å; M556-M593 HydrophobicContact SD-CE 4.28Å; V585-M593 HydrophobicContact CG1-SD 3.87Å; D589-M593 HydrophobicContact CB-CE 3.81Å; D589-M593 HydrophobicContact CB-CG 4.37Å; D589-M593 HydrophobicContact CB-SD 3.92Å; D589-M593 WeakPolarHBondContact O-CB 3.39Å; D589-M593 WeakPolarHBondContact O-CG 3.46Å; D589-M593 PolarHBondContact O-N 3.39Å
594	C	90.2	Very high	85.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.9	168.2	-177.8	0	0	0	0	110.4	L554 L616 W630 M631	L554-C594 HydrophobicContact CB-CB 4.45Å; L554-C594 WeakPolarHBondContact CB-O 3.06Å; L554-C594 PolarHBondContact N-O 3.44Å; L554-C594 PolarHBondContact O-N 2.71Å; C594-L616 CarbonylContact C-O 3.59Å; C594-L616 WeakPolarHBondContact CA-O 3.47Å; C594-L616 PolarHBondContact SG-O 3.5Å; C594-W630 HydrophobicContact CB-CE3 3.62Å; C594-W630 HydrophobicContact CB-CZ3 3.85Å; C594-M631 HydrophobicContact CB-SD 3.91Å
595	L	91.9	Very high	84.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	109	171.5	171.6	70.7	0	0	0	109.6	L501 V528 L553 Y582 L597 L616 W641	L501-L595 HydrophobicContact CD2-CD2 3.76Å; V528-L595 HydrophobicContact CB-CD2 4.35Å; V528-L595 HydrophobicContact CG1-CD2 3.87Å; V528-L595 HydrophobicContact CG2-CD1 4.34Å; V528-L595 HydrophobicContact CG2-CD2 3.53Å; L553-L595 HydrophobicContact CD1-CB 4.39Å; Y582-L595 HydrophobicContact CE2-CD1 3.99Å; L595-L597 HydrophobicContact CD1-CD2 3.92Å; L595-L597 HydrophobicContact CD1-CG 4.49Å; L595-L597 HydrophobicContact CD2-CD1 4.4Å; L595-L597 HydrophobicContact CD2-CD2 4.4Å; L595-L597 HydrophobicContact CD2-CG 4.38Å; L595-L597 HydrophobicContact CG-CD2 4.06Å; L595-L597 HydrophobicContact CG-CG 4.1Å; L595-L616 HydrophobicContact CB-CB 4.13Å; L595-L616 HydrophobicContact CD2-CB 4.39Å; L595-L616 HydrophobicContact CD2-CD1 3.97Å; L595-L616 PolarHBondContact N-O 3.26Å; L595-L616 PolarHBondContact O-N 2.87Å; L595-W641 HydrophobicContact CB-CH2 4.35Å; L595-W641 HydrophobicContact CB-CZ3 3.93Å; L595-W641 HydrophobicContact CD2-CZ3 4.48Å
596	E	92.9	Very high	82.8	Confident	13 Å²	13	49 Å²	49	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.9	176.3	177.7	164.7	75.3	0	0	109.1	G551 Y552 L554 R557 T598 R615 M662	G551-E596 CarbonylContact C-O 3.56Å; G551-E596 WeakPolarHBondContact CA-O 3.35Å; Y552-E596 PolarHBondContact N-O 2.86Å; Y552-E596 PolarHBondContact O-N 2.85Å; L554-E596 HydrophobicContact CD1-CB 3.88Å; L554-E596 HydrophobicContact CG-CB 4.13Å; R557-E596 IonicContact CZ-OE1 3.73Å; R557-E596 IonicContact NH2-OE1 2.71Å; R557-E596 PolarHBondContact NH2-OE1 3.33Å; R557-E596 IonicContact NH2-OE2 3.94Å; E596-T598 HydrophobicContact CG-CG2 4.21Å; E596-R615 HydrophobicContact CB-CG 4.33Å; E596-R615 HydrophobicContact CG-CG 4.42Å; E596-R615 IonicContact OE2-CZ 3.62Å; E596-R615 VanDerWaalsContact OE2-CZ 3.22Å; E596-R615 IonicContact OE2-NE 3.52Å; E596-R615 PolarHBondContact OE2-NE 2.72Å; E596-R615 IonicContact OE2-NH2 2.85Å; E596-R615 PolarHBondContact OE2-NH2 2.88Å; E596-M662 HydrophobicContact CG-CE 4.4Å
597	L	94	Very high	81.7	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.8	175.7	-58.8	177.9	0	0	0	109.4	L497 V499 V528 I530 V549 F580 L595 G613 V614 L616	L497-L597 HydrophobicContact CD2-CB 4.25Å; L497-L597 HydrophobicContact CD2-CD1 4.15Å; V499-L597 HydrophobicContact CG1-CD1 4.02Å; V528-L597 HydrophobicContact CG1-CD1 4.37Å; I530-L597 HydrophobicContact CD1-CD1 3.81Å; I530-L597 HydrophobicContact CD1-CD2 4.13Å; V549-L597 HydrophobicContact CG1-CB 4.44Å; F580-L597 HydrophobicContact CD2-CD2 4.22Å; F580-L597 HydrophobicContact CE2-CD2 4.06Å; L595-L597 HydrophobicContact CD1-CD2 3.92Å; L595-L597 HydrophobicContact CD1-CG 4.49Å; L595-L597 HydrophobicContact CD2-CD1 4.4Å; L595-L597 HydrophobicContact CD2-CD2 4.4Å; L595-L597 HydrophobicContact CD2-CG 4.38Å; L595-L597 HydrophobicContact CG-CD2 4.06Å; L595-L597 HydrophobicContact CG-CG 4.1Å; L597-G613 CarbonylContact O-C 3.56Å; L597-G613 WeakPolarHBondContact O-CA 3.21Å; L597-V614 HydrophobicContact CB-CG2 3.83Å; L597-V614 HydrophobicContact CD1-CG2 4.28Å; L597-V614 HydrophobicContact CG-CG2 4.45Å; L597-V614 PolarHBondContact N-O 3.17Å; L597-V614 PolarHBondContact O-N 2.91Å; L597-L616 HydrophobicContact CD1-CD1 3.95Å
598	T	92.1	Very high	81.4	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.2	-174.9	53.6	0	0	0	0	110.8	V549 K550 E596 W600 F610 G612 M662	V549-T598 CarbonylContact C-O 3.55Å; V549-T598 WeakPolarHBondContact CA-O 3.34Å; K550-T598 PolarHBondContact N-O 3.39Å; K550-T598 PolarHBondContact O-N 2.88Å; K550-T598 PolarHBondContact O-OG1 3.46Å; E596-T598 HydrophobicContact CG-CG2 4.21Å; T598-W600 VanDerWaalsContact CB-NE1 3.33Å; T598-W600 VanDerWaalsContact O-CD1 3.3Å; T598-W600 PolarHBondContact OG1-NE1 3.39Å; T598-F610 HydrophobicContact CG2-CE2 4.07Å; T598-G612 CarbonylContact C-O 3.48Å; T598-M662 HydrophobicContact CG2-CG 4.12Å
599	V	92.3	Very high	81.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.3	179.8	-167.4	0	0	0	0	109.1	L497 L536 F548 V549 L611 G612 L658	L497-V599 HydrophobicContact CD1-CG2 4.19Å; L497-V599 HydrophobicContact CD2-CG2 4.46Å; L536-V599 HydrophobicContact CD1-CG1 4.15Å; L536-V599 HydrophobicContact CD2-CG1 4.2Å; F548-V599 WeakPolarHBondContact O-CA 3.42Å; V549-V599 HydrophobicContact CG2-CG2 4.2Å; V599-L611 HydrophobicContact CB-CB 4.22Å; V599-L611 HydrophobicContact CG1-CB 4.1Å; V599-L611 HydrophobicContact CG1-CD1 4.26Å; V599-L611 PolarHBondContact O-N 3.15Å; V599-G612 PolarHBondContact N-O 2.81Å; V599-G612 PolarHBondContact O-N 2.91Å; V599-L658 HydrophobicContact CB-CD1 4.47Å; V599-L658 HydrophobicContact CG2-CD1 4.02Å; V599-L658 HydrophobicContact CG2-CD2 3.71Å
600	W	89.1	Confident	81.1	Confident	65 Å²	65	42.9 Å²	42.9	25%	0.246	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.6	-173.6	-61.7	84.7	0	0	0	110.6	S547 F548 T598 N608 D609 F610	S547-W600 CarbonylContact C-O 3.48Å; S547-W600 WeakPolarHBondContact CA-O 3.48Å; F548-W600 HydrophobicContact CD1-CB 4.28Å; F548-W600 HydrophobicContact CD2-CB 4.28Å; F548-W600 HydrophobicContact CE1-CB 3.69Å; F548-W600 HydrophobicContact CE2-CB 3.66Å; F548-W600 AromaticContact CE2-CD1 3.99Å; F548-W600 AromaticContact CE2-CG 3.98Å; F548-W600 HydrophobicContact CE2-CG 3.98Å; F548-W600 HydrophobicContact CZ-CB 3.36Å; F548-W600 AromaticContact CZ-CG 3.98Å; F548-W600 HydrophobicContact CZ-CG 3.98Å; F548-W600 PolarHBondContact N-O 3.07Å; F548-W600 PolarHBondContact O-N 3.36Å; T598-W600 VanDerWaalsContact CB-NE1 3.33Å; T598-W600 VanDerWaalsContact O-CD1 3.3Å; T598-W600 PolarHBondContact OG1-NE1 3.39Å; W600-N608 HydrophobicContact CE3-CB 4.22Å; W600-D609 CarbonylContact C-O 3.57Å; W600-D609 VanDerWaalsContact CA-O 3.29Å; W600-D609 WeakPolarHBondContact CA-O 3.41Å; W600-F610 HydrophobicContact CD2-CD2 4.26Å; W600-F610 AromaticContact CE2-CD2 3.97Å; W600-F610 HydrophobicContact CE3-CB 4.12Å; W600-F610 HydrophobicContact CE3-CD2 4.33Å; W600-F610 HydrophobicContact CH2-CB 4.23Å; W600-F610 AromaticContact CH2-CD2 3.86Å; W600-F610 HydrophobicContact CH2-CD2 3.86Å; W600-F610 HydrophobicContact CH2-CG 4.45Å; W600-F610 AromaticContact CZ2-CD2 3.76Å; W600-F610 HydrophobicContact CZ2-CD2 3.76Å; W600-F610 HydrophobicContact CZ2-CE2 4.36Å; W600-F610 HydrophobicContact CZ3-CB 3.82Å; W600-F610 HydrophobicContact CZ3-CD2 4.15Å; W600-F610 HydrophobicContact CZ3-CG 4.47Å
601	D	86.3	Confident	80.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.5	165.5	-173.4	100.3	0	0	0	109.6	A539 K540 S545 D546 N608 D609 L611	A539-D601 HydrophobicContact CB-CB 4.02Å; K540-D601 VanDerWaalsContact CE-CG 3.46Å; K540-D601 WeakPolarHBondContact CE-OD1 3.46Å; K540-D601 WeakPolarHBondContact CE-OD2 3.24Å; K540-D601 IonicContact NZ-OD2 2.74Å; K540-D601 PolarHBondContact NZ-OD2 3.34Å; S545-D601 WeakPolarHBondContact CA-OD1 3.48Å; S545-D601 WeakPolarHBondContact CB-OD1 3.41Å; S545-D601 PolarHBondContact OG-OD1 3.49Å; D546-D601 PolarHBondContact N-OD1 2.91Å; D601-N608 VanDerWaalsContact O-CA 3.28Å; D601-N608 WeakPolarHBondContact O-CA 3.2Å; D601-N608 WeakPolarHBondContact O-CB 3.22Å; D601-D609 HydrophobicContact CB-CB 4.29Å; D601-D609 PolarHBondContact N-O 2.85Å; D601-D609 PolarHBondContact O-N 2.98Å; D601-D609 VanDerWaalsContact O-N 3.14Å; D601-L611 HydrophobicContact CB-CD1 4.06Å; D601-L611 HydrophobicContact CB-CD2 4.2Å; D601-L611 HydrophobicContact CB-CG 4.1Å
602	R	83.9	Confident	80.9	Confident	57 Å²	57	37.8 Å²	37.8	22%	0.215	20%	0.201	C	C	.	.			trans	-85.4	113.3	175.1	-173	168	173.2	-91.9	11.3	110.7	E308 K540 D546 F548 V567 N608	E308-R602 IonicContact OE1-CZ 3.32Å; E308-R602 IonicContact OE1-NH2 3.99Å; E308-R602 PolarHBondContact OE1-NH2 3.41Å; E308-R602 IonicContact OE2-CZ 3.15Å; E308-R602 IonicContact OE2-NE 2.74Å; E308-R602 PolarHBondContact OE2-NE 2.97Å; E308-R602 IonicContact OE2-NH2 2.68Å; E308-R602 PolarHBondContact OE2-NH2 3.35Å; K540-R602 PolarHBondContact NZ-O 2.93Å; D546-R602 PolarHBondContact O-N 3.22Å; F548-R602 HydrophobicContact CD1-CB 3.91Å; F548-R602 HydrophobicContact CE1-CB 3.69Å; F548-R602 HydrophobicContact CE1-CG 4.46Å; V567-R602 HydrophobicContact CG1-CB 3.98Å; R602-N608 WeakPolarHBondContact CA-OD1 3.23Å
603	E	76.9	Confident	81.2	Confident	60 Å²	60	34.1 Å²	34.1	28%	0.28	19%	0.185	S	C	.	.			trans	-108.2	106.4	173	-175.5	41	-129.9	0	0	111.7	K540 L605 A606	K540-E603 WeakPolarHBondContact CE-OE2 3.4Å; K540-E603 IonicContact NZ-OE2 3.51Å; K540-E603 PolarHBondContact NZ-OE2 3.29Å; E603-L605 PolarHBondContact O-N 2.97Å; E603-A606 HydrophobicContact CB-CB 4.24Å; E603-A606 HydrophobicContact CG-CB 3.7Å; E603-A606 PolarHBondContact O-N 3.07Å
604	P	59.8	Low	81.4	Confident	75 Å²	75	33.2 Å²	33.2	49%	0.487	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-9.3	-170.9	-25.2	35	0	0	0	116.7
605	L	49.9	Very low	81.5	Confident	126 Å²	126	33.4 Å²	33.4	66%	0.66	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.2	10.7	-177.1	-62.9	174.3	0	0	0	113.6	E603	E603-L605 PolarHBondContact O-N 2.97Å
606	A	58.7	Low	81.4	Confident	70 Å²	70	33.4 Å²	33.4	58%	0.579	18%	0.181	S	C	*	.	S	Bend	trans	-142.2	-169.1	178.5	0	0	0	0	0	111.3	E603	E603-A606 HydrophobicContact CB-CB 4.24Å; E603-A606 HydrophobicContact CG-CB 3.7Å; E603-A606 PolarHBondContact O-N 3.07Å
607	S	63.1	Low	81.3	Confident	40 Å²	40	32.8 Å²	32.8	28%	0.28	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-81.1	142.6	165.7	53.5	0	0	0	0	110.1
608	N	77.8	Confident	80.9	Confident	34 Å²	34	34.3 Å²	34.3	18%	0.182	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-56.8	133.1	176.9	-57.7	-68.8	0	0	0	111.9	D312 F548 W600 D601 R602	D312-N608 PolarHBondContact OD2-ND2 3.21Å; F548-N608 HydrophobicContact CZ-CB 4.44Å; W600-N608 HydrophobicContact CE3-CB 4.22Å; D601-N608 VanDerWaalsContact O-CA 3.28Å; D601-N608 WeakPolarHBondContact O-CA 3.2Å; D601-N608 WeakPolarHBondContact O-CB 3.22Å; R602-N608 WeakPolarHBondContact CA-OD1 3.23Å
609	D	78.6	Confident	80.4	Confident	87 Å²	87	35.4 Å²	35.4	47%	0.465	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.7	-180	-81.8	-37.4	0	0	0	111.6	W600 D601	W600-D609 CarbonylContact C-O 3.57Å; W600-D609 VanDerWaalsContact CA-O 3.29Å; W600-D609 WeakPolarHBondContact CA-O 3.41Å; D601-D609 HydrophobicContact CB-CB 4.29Å; D601-D609 PolarHBondContact N-O 2.85Å; D601-D609 PolarHBondContact O-N 2.98Å; D601-D609 VanDerWaalsContact O-N 3.14Å
610	F	82.9	Confident	79.7	Confident	57 Å²	57	39 Å²	39	25%	0.25	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.6	-177.8	-179.3	-109	0	0	0	111.1	T598 W600 G612 M662	T598-F610 HydrophobicContact CG2-CE2 4.07Å; W600-F610 HydrophobicContact CD2-CD2 4.26Å; W600-F610 AromaticContact CE2-CD2 3.97Å; W600-F610 HydrophobicContact CE3-CB 4.12Å; W600-F610 HydrophobicContact CE3-CD2 4.33Å; W600-F610 HydrophobicContact CH2-CB 4.23Å; W600-F610 AromaticContact CH2-CD2 3.86Å; W600-F610 HydrophobicContact CH2-CD2 3.86Å; W600-F610 HydrophobicContact CH2-CG 4.45Å; W600-F610 AromaticContact CZ2-CD2 3.76Å; W600-F610 HydrophobicContact CZ2-CD2 3.76Å; W600-F610 HydrophobicContact CZ2-CE2 4.36Å; W600-F610 HydrophobicContact CZ3-CB 3.82Å; W600-F610 HydrophobicContact CZ3-CD2 4.15Å; W600-F610 HydrophobicContact CZ3-CG 4.47Å; F610-G612 VanDerWaalsContact CE2-C 3.5Å; F610-G612 WeakPolarHBondContact CE2-O 3.36Å; F610-G612 VanDerWaalsContact CZ-CA 3.42Å; F610-G612 WeakPolarHBondContact CZ-O 3.46Å; F610-M662 HydrophobicContact CE2-CG 4.15Å; F610-M662 HydrophobicContact CZ-CG 3.66Å; F610-M662 HydrophobicContact CZ-SD 4.01Å
611	L	81.3	Confident	79	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-20.3	178.8	-62.1	-176.6	0	0	0	112.9	K494 L536 T537 A539 V599 D601	K494-L611 WeakPolarHBondContact CB-O 3.25Å; K494-L611 WeakPolarHBondContact CD-O 3.15Å; L536-L611 HydrophobicContact CD1-CD1 4.09Å; T537-L611 WeakPolarHBondContact O-CD2 3.29Å; A539-L611 HydrophobicContact CB-CD2 4.23Å; V599-L611 HydrophobicContact CB-CB 4.22Å; V599-L611 HydrophobicContact CG1-CB 4.1Å; V599-L611 HydrophobicContact CG1-CD1 4.26Å; V599-L611 PolarHBondContact O-N 3.15Å; D601-L611 HydrophobicContact CB-CD1 4.06Å; D601-L611 HydrophobicContact CB-CD2 4.2Å; D601-L611 HydrophobicContact CB-CG 4.1Å
612	G	85.9	Confident	78.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.7	-178.9	173.5	0	0	0	0	0	113.1	T598 V599 F610 R659	T598-G612 CarbonylContact C-O 3.48Å; V599-G612 PolarHBondContact N-O 2.81Å; V599-G612 PolarHBondContact O-N 2.91Å; F610-G612 VanDerWaalsContact CE2-C 3.5Å; F610-G612 WeakPolarHBondContact CE2-O 3.36Å; F610-G612 VanDerWaalsContact CZ-CA 3.42Å; F610-G612 WeakPolarHBondContact CZ-O 3.46Å; G612-R659 VanDerWaalsContact CA-O 3.24Å; G612-R659 WeakPolarHBondContact CA-O 3.42Å
613	G	89.9	Confident	78.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	174.9	175.3	0	0	0	0	0	114.5	L597 R659 M662	L597-G613 CarbonylContact O-C 3.56Å; L597-G613 WeakPolarHBondContact O-CA 3.21Å; G613-R659 PolarHBondContact N-O 3.44Å; G613-R659 WeakPolarHBondContact O-CB 3.43Å; G613-R659 WeakPolarHBondContact O-CD 3.33Å; G613-R659 VanDerWaalsContact O-CG 3.26Å; G613-R659 WeakPolarHBondContact O-CG 3.36Å; G613-R659 PolarHBondContact O-N 3.2Å; G613-M662 VanDerWaalsContact CA-SD 3.59Å
614	V	91.5	Very high	78.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155	180	-66.6	0	0	0	0	110.1	L497 L597 E637 L656 Q657 L658	L497-V614 HydrophobicContact CD2-CG2 4.27Å; L597-V614 HydrophobicContact CB-CG2 3.83Å; L597-V614 HydrophobicContact CD1-CG2 4.28Å; L597-V614 HydrophobicContact CG-CG2 4.45Å; L597-V614 PolarHBondContact N-O 3.17Å; L597-V614 PolarHBondContact O-N 2.91Å; V614-E637 WeakPolarHBondContact CA-OE1 3.37Å; V614-L656 HydrophobicContact CB-CD1 4.4Å; V614-L656 HydrophobicContact CG1-CB 3.87Å; V614-L656 HydrophobicContact CG2-CD1 3.97Å; V614-Q657 WeakPolarHBondContact CG1-O 3.24Å; V614-L658 HydrophobicContact CG1-CD2 4.35Å
615	R	91.9	Very high	78.7	Confident	4 Å²	4	41 Å²	41	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	110.4	178.2	-88.1	172.5	-175.1	161.8	-0	110.2	E596 D629 D632 S633 E637 M662	E596-R615 HydrophobicContact CB-CG 4.33Å; E596-R615 HydrophobicContact CG-CG 4.42Å; E596-R615 IonicContact OE2-CZ 3.62Å; E596-R615 VanDerWaalsContact OE2-CZ 3.22Å; E596-R615 IonicContact OE2-NE 3.52Å; E596-R615 PolarHBondContact OE2-NE 2.72Å; E596-R615 IonicContact OE2-NH2 2.85Å; E596-R615 PolarHBondContact OE2-NH2 2.88Å; R615-D629 PolarHBondContact NH1-O 2.91Å; R615-D632 WeakPolarHBondContact CD-OD1 3.44Å; R615-D632 IonicContact CZ-OD1 3.65Å; R615-D632 IonicContact NE-OD1 2.68Å; R615-D632 IonicContact NH1-OD1 3.51Å; R615-D632 PolarHBondContact NH1-OD1 3.05Å; R615-D632 IonicContact NH1-OD2 3.57Å; R615-D632 PolarHBondContact NH1-OD2 3.31Å; R615-S633 WeakPolarHBondContact O-CB 3.4Å; R615-S633 PolarHBondContact O-OG 2.68Å; R615-E637 PolarHBondContact N-OE1 2.92Å; R615-E637 WeakPolarHBondContact O-CB 3.35Å; R615-M662 HydrophobicContact CG-CE 3.67Å; R615-M662 PolarHBondContact NH1-O 3.34Å; R615-M662 PolarHBondContact NH2-O 3.42Å
616	L	91.6	Very high	79.8	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	108	-177.3	-70	160.2	0	0	0	109.5	V499 L501 C594 L595 L597 E637 L640 W641 L656	V499-L616 HydrophobicContact CG2-CD1 4.33Å; L501-L616 HydrophobicContact CD1-CD1 4.28Å; L501-L616 HydrophobicContact CD1-CD2 4.45Å; L501-L616 HydrophobicContact CD2-CD1 4.24Å; C594-L616 CarbonylContact C-O 3.59Å; C594-L616 WeakPolarHBondContact CA-O 3.47Å; C594-L616 PolarHBondContact SG-O 3.5Å; L595-L616 HydrophobicContact CB-CB 4.13Å; L595-L616 HydrophobicContact CD2-CB 4.39Å; L595-L616 HydrophobicContact CD2-CD1 3.97Å; L595-L616 PolarHBondContact N-O 3.26Å; L595-L616 PolarHBondContact O-N 2.87Å; L597-L616 HydrophobicContact CD1-CD1 3.95Å; L616-E637 HydrophobicContact CD2-CB 4.1Å; L616-E637 WeakPolarHBondContact CD2-O 3.35Å; L616-L640 HydrophobicContact CD2-CB 4.12Å; L616-L640 HydrophobicContact CD2-CD2 3.99Å; L616-L640 HydrophobicContact CD2-CG 4.39Å; L616-W641 HydrophobicContact CB-CE3 3.98Å; L616-W641 HydrophobicContact CB-CZ3 4.5Å; L616-L656 HydrophobicContact CD1-CD1 3.83Å; L616-L656 HydrophobicContact CD2-CD1 3.75Å; L616-L656 HydrophobicContact CD2-CD2 4.26Å; L616-L656 HydrophobicContact CG-CD1 4.09Å
617	G	90.1	Very high	80.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-170	-177.1	-171.8	0	0	0	0	0	110.6	G619 S633	G617-G619 VanDerWaalsContact C-N 3.31Å; G617-G619 PolarHBondContact O-N 3.46Å; G617-S633 PolarHBondContact N-OG 3.23Å; G617-S633 VanDerWaalsContact N-OG 3.16Å
618	V	86.1	Confident	81.3	Confident	32 Å²	32	43.1 Å²	43.1	19%	0.194	26%	0.26	C	S	.	.			trans	-79.7	-3.3	-176.6	-65.5	0	0	0	0	115	Q591 T620 M631	Q591-V618 VanDerWaalsContact O-CG2 3.28Å; Q591-V618 WeakPolarHBondContact O-CG2 3.34Å; V618-T620 VanDerWaalsContact C-N 3.32Å; V618-T620 HydrophobicContact CB-CG2 4.38Å; V618-T620 HydrophobicContact CG2-CG2 3.72Å; V618-T620 PolarHBondContact O-N 3.16Å; V618-M631 HydrophobicContact CG2-CE 3.5Å
619	G	81.4	Confident	81.1	Confident	30 Å²	30	45.1 Å²	45.1	31%	0.309	27%	0.271	S	S	.	.			trans	71.3	15.8	172.3	0	0	0	0	0	116.3	G617 G621 M631 S633	G617-G619 VanDerWaalsContact C-N 3.31Å; G617-G619 PolarHBondContact O-N 3.46Å; G619-G621 VanDerWaalsContact C-N 3.31Å; G619-G621 PolarHBondContact O-N 2.67Å; G619-M631 CarbonylContact C-O 3.56Å; G619-M631 VanDerWaalsContact CA-O 3.28Å; G619-M631 WeakPolarHBondContact CA-O 3.46Å; G619-S633 VanDerWaalsContact CA-O 3.29Å; G619-S633 WeakPolarHBondContact CA-O 3.34Å
620	T	78.1	Confident	81	Confident	77 Å²	77	42.1 Å²	42.1	47%	0.472	25%	0.253	S	S	.	.			trans	-73	-13.5	-173.1	48	0	0	0	0	115.3	V618 I622 M631	V618-T620 VanDerWaalsContact C-N 3.32Å; V618-T620 HydrophobicContact CB-CG2 4.38Å; V618-T620 HydrophobicContact CG2-CG2 3.72Å; V618-T620 PolarHBondContact O-N 3.16Å; T620-I622 PolarHBondContact O-N 2.83Å; T620-I622 PolarHBondContact OG1-N 3.03Å; T620-I622 PolarHBondContact OG1-O 3.18Å; T620-M631 PolarHBondContact N-O 2.87Å; T620-M631 WeakPolarHBondContact OG1-CE 3.31Å
621	G	74.4	Confident	80.9	Confident	25 Å²	25	39.4 Å²	39.4	26%	0.258	24%	0.241	S	C	.	.	S	Bend	trans	64.1	0.2	-168.1	0	0	0	0	0	115	G619 V627 V628 M631	G619-G621 VanDerWaalsContact C-N 3.31Å; G619-G621 PolarHBondContact O-N 2.67Å; G621-V627 WeakPolarHBondContact O-CA 3.45Å; G621-V628 PolarHBondContact O-N 3.24Å; G621-M631 WeakPolarHBondContact CA-O 3.41Å; G621-M631 PolarHBondContact N-O 2.67Å
622	I	75.3	Confident	80.9	Confident	77 Å²	77	41.3 Å²	41.3	40%	0.395	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.3	-170	-61.1	174.5	0	0	0	109.2	T620 E626 V627	T620-I622 PolarHBondContact O-N 2.83Å; T620-I622 PolarHBondContact OG1-N 3.03Å; T620-I622 PolarHBondContact OG1-O 3.18Å; I622-E626 CarbonylContact C-O 3.49Å; I622-E626 VanDerWaalsContact CA-O 3.25Å; I622-E626 WeakPolarHBondContact CA-O 3.44Å; I622-E626 WeakPolarHBondContact CG2-O 3.33Å; I622-V627 HydrophobicContact CG1-CG2 4.23Å
623	S	77.7	Confident	80.8	Confident	7 Å²	7	41.5 Å²	41.5	5%	0.049	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133	170.6	-174.3	0	0	0	0	109.1	H592 G625 E626 W630	H592-S623 PolarHBondContact O-OG 3.2Å; S623-G625 PolarHBondContact O-N 2.97Å; S623-E626 PolarHBondContact N-O 3.36Å; S623-E626 PolarHBondContact O-N 3Å; S623-W630 WeakPolarHBondContact OG-CH2 3.36Å
624	N	74.5	Confident	80.4	Confident	123 Å²	123	46 Å²	46	66%	0.658	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	25.1	-177.4	-59.7	-13.2	0	0	0	115.6	H592	H592-N624 PolarHBondContact CD2-OD1 3.41Å; H592-N624 VanDerWaalsContact CD2-OD1 3.23Å
625	G	71.7	Confident	80.1	Confident	68 Å²	68	48.5 Å²	48.5	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	-10.2	-177.3	0	0	0	0	0	115.4	S623	S623-G625 PolarHBondContact O-N 2.97Å
626	E	72.5	Confident	79.9	Confident	146 Å²	146	53.6 Å²	53.6	68%	0.682	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	140.7	176.1	-62.6	-168.3	145.7	0	0	111.8	I622 S623 V628	I622-E626 CarbonylContact C-O 3.49Å; I622-E626 VanDerWaalsContact CA-O 3.25Å; I622-E626 WeakPolarHBondContact CA-O 3.44Å; I622-E626 WeakPolarHBondContact CG2-O 3.33Å; S623-E626 PolarHBondContact N-O 3.36Å; S623-E626 PolarHBondContact O-N 3Å; E626-V628 PolarHBondContact O-N 2.93Å
627	V	76	Confident	79.8	Confident	110 Å²	110	54.1 Å²	54.1	67%	0.667	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.6	173.7	178.1	0	0	0	0	109.3	G621 I622	G621-V627 WeakPolarHBondContact O-CA 3.45Å; I622-V627 HydrophobicContact CG1-CG2 4.23Å
628	V	77.4	Confident	79.8	Confident	24 Å²	24	55.1 Å²	55.1	15%	0.145	34%	0.339	C	S	.	.			trans	-120.4	150.9	-174	-67.3	0	0	0	0	112.4	G621 E626 W630 M631	G621-V628 PolarHBondContact O-N 3.24Å; E626-V628 PolarHBondContact O-N 2.93Å; V628-W630 HydrophobicContact CB-CD2 4.34Å; V628-W630 HydrophobicContact CB-CG 4.38Å; V628-W630 HydrophobicContact CB-CZ2 4.34Å; V628-W630 HydrophobicContact CG1-CZ2 4.16Å; V628-W630 HydrophobicContact CG2-CD2 4.11Å; V628-W630 HydrophobicContact CG2-CG 4.47Å; V628-W630 HydrophobicContact CG2-CZ2 4.19Å; V628-W630 PolarHBondContact O-N 3.04Å; V628-M631 HydrophobicContact CG2-CB 3.7Å; V628-M631 HydrophobicContact CG2-CG 3.4Å
629	D	74.6	Confident	80	Confident	76 Å²	76	57 Å²	57	41%	0.406	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.2	-177.8	70.3	-40.8	0	0	0	114.2	R615 K664	R615-D629 PolarHBondContact NH1-O 2.91Å; D629-K664 HydrophobicContact CB-CB 4.31Å
630	W	76.6	Confident	80.6	Confident	24 Å²	24	55.9 Å²	55.9	9%	0.091	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130	0.6	-172	56.7	-98.2	0	0	0	116.1	L554 P555 H592 C594 S623 V628 D632	L554-W630 HydrophobicContact CB-CD2 3.97Å; L554-W630 HydrophobicContact CB-CE3 3.68Å; L554-W630 HydrophobicContact CB-CH2 4.38Å; L554-W630 HydrophobicContact CB-CZ3 3.88Å; L554-W630 HydrophobicContact CD1-CB 3.53Å; L554-W630 HydrophobicContact CD1-CD2 3.91Å; L554-W630 HydrophobicContact CD1-CE3 4.02Å; L554-W630 HydrophobicContact CD1-CG 3.72Å; P555-W630 HydrophobicContact CB-CH2 4.08Å; P555-W630 HydrophobicContact CB-CZ2 3.88Å; P555-W630 HydrophobicContact CG-CH2 4.43Å; H592-W630 VanDerWaalsContact O-CH2 3.32Å; H592-W630 WeakPolarHBondContact O-CH2 3.4Å; C594-W630 HydrophobicContact CB-CE3 3.62Å; C594-W630 HydrophobicContact CB-CZ3 3.85Å; S623-W630 WeakPolarHBondContact OG-CH2 3.36Å; V628-W630 HydrophobicContact CB-CD2 4.34Å; V628-W630 HydrophobicContact CB-CG 4.38Å; V628-W630 HydrophobicContact CB-CZ2 4.34Å; V628-W630 HydrophobicContact CG1-CZ2 4.16Å; V628-W630 HydrophobicContact CG2-CD2 4.11Å; V628-W630 HydrophobicContact CG2-CG 4.47Å; V628-W630 HydrophobicContact CG2-CZ2 4.19Å; V628-W630 PolarHBondContact O-N 3.04Å; W630-D632 VanDerWaalsContact C-N 3.25Å; W630-D632 PolarHBondContact O-N 3.48Å
631	M	80.4	Confident	81.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.318	C	S	.	.			trans	-95.3	33.3	169.9	-70.3	-70.6	-89.3	0	0	111.2	C594 V618 G619 T620 G621 V628	C594-M631 HydrophobicContact CB-SD 3.91Å; V618-M631 HydrophobicContact CG2-CE 3.5Å; G619-M631 CarbonylContact C-O 3.56Å; G619-M631 VanDerWaalsContact CA-O 3.28Å; G619-M631 WeakPolarHBondContact CA-O 3.46Å; T620-M631 PolarHBondContact N-O 2.87Å; T620-M631 WeakPolarHBondContact OG1-CE 3.31Å; G621-M631 WeakPolarHBondContact CA-O 3.41Å; G621-M631 PolarHBondContact N-O 2.67Å; V628-M631 HydrophobicContact CG2-CB 3.7Å; V628-M631 HydrophobicContact CG2-CG 3.4Å
632	D	80.6	Confident	82	Confident	44 Å²	44	56 Å²	56	24%	0.235	33%	0.328	C	S	.	.			trans	-98.2	25.2	-172.2	67.4	-49	0	0	0	113.4	R615 W630 R659	R615-D632 WeakPolarHBondContact CD-OD1 3.44Å; R615-D632 IonicContact CZ-OD1 3.65Å; R615-D632 IonicContact NE-OD1 2.68Å; R615-D632 IonicContact NH1-OD1 3.51Å; R615-D632 PolarHBondContact NH1-OD1 3.05Å; R615-D632 IonicContact NH1-OD2 3.57Å; R615-D632 PolarHBondContact NH1-OD2 3.31Å; W630-D632 VanDerWaalsContact C-N 3.25Å; W630-D632 PolarHBondContact O-N 3.48Å; D632-R659 PolarHBondContact O-NH2 2.93Å; D632-R659 IonicContact OD1-NH1 2.7Å; D632-R659 IonicContact OD2-CZ 2.69Å; D632-R659 IonicContact OD2-NH1 3.29Å; D632-R659 PolarHBondContact OD2-NH1 2.89Å; D632-R659 IonicContact OD2-NH2 2.61Å
633	S	84.1	Confident	82.8	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.028	33%	0.329	C	S	.	.			trans	-56.5	139.3	172.9	-52.5	0	0	0	0	111.9	R615 G617 G619 E637 V638	R615-S633 WeakPolarHBondContact O-CB 3.4Å; R615-S633 PolarHBondContact O-OG 2.68Å; G617-S633 PolarHBondContact N-OG 3.23Å; G617-S633 VanDerWaalsContact N-OG 3.16Å; G619-S633 VanDerWaalsContact CA-O 3.29Å; G619-S633 WeakPolarHBondContact CA-O 3.34Å; S633-E637 WeakPolarHBondContact CA-OE2 3.4Å; S633-V638 VanDerWaalsContact O-CG2 3.31Å; S633-V638 WeakPolarHBondContact O-CG2 3.42Å
634	T	81.3	Confident	83.6	Confident	95 Å²	95	56.5 Å²	56.5	58%	0.583	33%	0.327	S	S	*	.			trans	-137.7	157.8	177.9	60	0	0	0	0	113.1	E636 E637	T634-E636 PolarHBondContact O-N 2.99Å; T634-E636 VanDerWaalsContact O-N 3.14Å; T634-E637 PolarHBondContact N-OE2 2.83Å; T634-E637 WeakPolarHBondContact O-CB 3.37Å; T634-E637 PolarHBondContact O-N 3.23Å
635	G	86.9	Confident	84.2	Confident	52 Å²	52	53 Å²	53	54%	0.536	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	-116	170.1	0	0	0	0	0	114.2	E637 V638 S639	G635-E637 VanDerWaalsContact C-N 3.28Å; G635-E637 PolarHBondContact O-N 2.59Å; G635-V638 PolarHBondContact O-N 3.09Å; G635-S639 WeakPolarHBondContact O-CB 3.35Å; G635-S639 PolarHBondContact O-N 3.09Å; G635-S639 PolarHBondContact O-OG 3.42Å
636	E	87.4	Confident	85	Confident	111 Å²	111	55.9 Å²	55.9	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-33	-177.8	-60.1	-175.9	134.5	0	0	112.8	T634 S639 L640 L656	T634-E636 PolarHBondContact O-N 2.99Å; T634-E636 VanDerWaalsContact O-N 3.14Å; E636-S639 PolarHBondContact O-N 3.07Å; E636-L640 WeakPolarHBondContact O-CB 3.37Å; E636-L640 PolarHBondContact O-N 2.72Å; E636-L656 HydrophobicContact CB-CD2 4.12Å
637	E	89.7	Confident	85.7	Confident	12 Å²	12	55 Å²	55	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-46.7	178.4	-62.1	170.7	130.3	0	0	111.2	V614 R615 L616 S633 T634 G635 W641 L656 R659	V614-E637 WeakPolarHBondContact CA-OE1 3.37Å; R615-E637 PolarHBondContact N-OE1 2.92Å; R615-E637 WeakPolarHBondContact O-CB 3.35Å; L616-E637 HydrophobicContact CD2-CB 4.1Å; L616-E637 WeakPolarHBondContact CD2-O 3.35Å; S633-E637 WeakPolarHBondContact CA-OE2 3.4Å; T634-E637 PolarHBondContact N-OE2 2.83Å; T634-E637 WeakPolarHBondContact O-CB 3.37Å; T634-E637 PolarHBondContact O-N 3.23Å; G635-E637 VanDerWaalsContact C-N 3.28Å; G635-E637 PolarHBondContact O-N 2.59Å; E637-W641 PolarHBondContact O-N 2.8Å; E637-W641 VanDerWaalsContact O-N 3.13Å; E637-L656 HydrophobicContact CG-CD2 4.28Å; E637-R659 IonicContact OE1-CZ 3.62Å; E637-R659 IonicContact OE1-NE 2.67Å; E637-R659 PolarHBondContact OE1-NE 3.27Å; E637-R659 IonicContact OE1-NH2 3.58Å; E637-R659 PolarHBondContact OE1-NH2 2.93Å; E637-R659 IonicContact OE2-CZ 2.66Å; E637-R659 IonicContact OE2-NE 2.92Å; E637-R659 IonicContact OE2-NH2 2.77Å; E637-R659 PolarHBondContact OE2-NH2 3.16Å
638	V	89.4	Confident	86.1	Confident	21 Å²	21	51.5 Å²	51.5	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-42.3	177.7	179.2	0	0	0	0	110.1	S633 G635 L640 W641 Q642	S633-V638 VanDerWaalsContact O-CG2 3.31Å; S633-V638 WeakPolarHBondContact O-CG2 3.42Å; G635-V638 PolarHBondContact O-N 3.09Å; V638-L640 VanDerWaalsContact C-N 3.32Å; V638-L640 PolarHBondContact O-N 2.91Å; V638-W641 PolarHBondContact O-N 2.92Å; V638-Q642 HydrophobicContact CG1-CG 4.23Å; V638-Q642 WeakPolarHBondContact O-CB 3.3Å; V638-Q642 VanDerWaalsContact O-CG 3.32Å; V638-Q642 WeakPolarHBondContact O-CG 3.32Å; V638-Q642 PolarHBondContact O-N 2.97Å
639	S	90.7	Very high	86.4	Confident	70 Å²	70	51.5 Å²	51.5	49%	0.49	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-41.2	179.6	-56.8	0	0	0	0	111.6	G635 E636 K643	G635-S639 WeakPolarHBondContact O-CB 3.35Å; G635-S639 PolarHBondContact O-N 3.09Å; G635-S639 PolarHBondContact O-OG 3.42Å; E636-S639 PolarHBondContact O-N 3.07Å; S639-K643 WeakPolarHBondContact O-CB 3.36Å; S639-K643 PolarHBondContact O-N 2.71Å
640	L	92.5	Very high	87.2	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-70.2	-40.6	177.8	-171.1	60.9	0	0	0	112.4	V499 L501 L616 E636 V638 K643 M644 A652 E653 L656	V499-L640 HydrophobicContact CG2-CD2 3.73Å; L501-L640 HydrophobicContact CD1-CD2 4.33Å; L501-L640 HydrophobicContact CD1-CG 3.97Å; L501-L640 HydrophobicContact CG-CD2 4.37Å; L501-L640 HydrophobicContact CG-CG 4.29Å; L616-L640 HydrophobicContact CD2-CB 4.12Å; L616-L640 HydrophobicContact CD2-CD2 3.99Å; L616-L640 HydrophobicContact CD2-CG 4.39Å; E636-L640 WeakPolarHBondContact O-CB 3.37Å; E636-L640 PolarHBondContact O-N 2.72Å; V638-L640 VanDerWaalsContact C-N 3.32Å; V638-L640 PolarHBondContact O-N 2.91Å; L640-K643 PolarHBondContact O-N 2.78Å; L640-M644 PolarHBondContact O-N 3.35Å; L640-A652 HydrophobicContact CD1-CB 4.15Å; L640-A652 WeakPolarHBondContact CD1-O 3.49Å; L640-E653 VanDerWaalsContact CD1-C 3.45Å; L640-E653 WeakPolarHBondContact CD1-O 3.26Å; L640-L656 HydrophobicContact CD2-CD1 3.99Å; L640-L656 HydrophobicContact CD2-CD2 4.07Å; L640-L656 HydrophobicContact CD2-CG 4.22Å
641	W	93.2	Very high	88	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-44	175.7	-168.7	-109.2	0	0	0	111.9	L501 L526 L590 L595 L616 E637 V638 M644 Q645	L501-W641 HydrophobicContact CD1-CE3 3.91Å; L501-W641 HydrophobicContact CD1-CZ3 4.48Å; L526-W641 HydrophobicContact CD2-CH2 4.02Å; L526-W641 HydrophobicContact CD2-CZ3 4.24Å; L590-W641 HydrophobicContact CB-CZ2 4.23Å; L590-W641 HydrophobicContact CD2-CH2 3.83Å; L590-W641 HydrophobicContact CD2-CZ2 3.66Å; L590-W641 PolarHBondContact O-NE1 3.34Å; L595-W641 HydrophobicContact CB-CH2 4.35Å; L595-W641 HydrophobicContact CB-CZ3 3.93Å; L595-W641 HydrophobicContact CD2-CZ3 4.48Å; L616-W641 HydrophobicContact CB-CE3 3.98Å; L616-W641 HydrophobicContact CB-CZ3 4.5Å; E637-W641 PolarHBondContact O-N 2.8Å; E637-W641 VanDerWaalsContact O-N 3.13Å; V638-W641 PolarHBondContact O-N 2.92Å; W641-M644 HydrophobicContact CD2-CE 3.88Å; W641-M644 HydrophobicContact CE3-CE 3.71Å; W641-M644 HydrophobicContact CE3-SD 4.31Å; W641-M644 HydrophobicContact CH2-CE 4.09Å; W641-M644 HydrophobicContact CZ2-CE 4.23Å; W641-M644 HydrophobicContact CZ3-CE 3.82Å; W641-M644 HydrophobicContact CZ3-SD 4.26Å; W641-M644 WeakPolarHBondContact O-CB 3.26Å; W641-M644 PolarHBondContact O-N 3.21Å; W641-Q645 WeakPolarHBondContact O-CG 3.32Å; W641-Q645 PolarHBondContact O-N 3.2Å; W641-Q645 VanDerWaalsContact O-N 3.15Å
642	Q	90.6	Very high	88.6	Confident	103 Å²	103	55.3 Å²	55.3	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-44.2	175.7	-72.2	176.7	-9.8	0	0	112.1	V638 M644 Q645 Q646	V638-Q642 HydrophobicContact CG1-CG 4.23Å; V638-Q642 WeakPolarHBondContact O-CB 3.3Å; V638-Q642 VanDerWaalsContact O-CG 3.32Å; V638-Q642 WeakPolarHBondContact O-CG 3.32Å; V638-Q642 PolarHBondContact O-N 2.97Å; Q642-M644 VanDerWaalsContact C-N 3.28Å; Q642-M644 PolarHBondContact O-N 3.27Å; Q642-Q645 PolarHBondContact O-N 2.92Å; Q642-Q645 VanDerWaalsContact O-N 3.08Å; Q642-Q646 WeakPolarHBondContact O-CB 3.37Å; Q642-Q646 PolarHBondContact O-N 3.23Å
643	K	91.4	Very high	89.3	Confident	95 Å²	95	57.5 Å²	57.5	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-36.9	176.3	-174.8	-178.4	176.2	-173.1	0	112.2	S639 L640 Y647 A652 E653	S639-K643 WeakPolarHBondContact O-CB 3.36Å; S639-K643 PolarHBondContact O-N 2.71Å; L640-K643 PolarHBondContact O-N 2.78Å; K643-Y647 HydrophobicContact CG-CD2 4.49Å; K643-Y647 WeakPolarHBondContact O-CD2 3.33Å; K643-Y647 PolarHBondContact O-N 3.38Å; K643-A652 HydrophobicContact CB-CB 4.13Å; K643-A652 HydrophobicContact CD-CB 4.08Å; K643-A652 HydrophobicContact CG-CB 3.8Å; K643-E653 PolarHBondContact NZ-O 2.98Å
644	M	93.5	Very high	89.6	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-44.9	172.3	177.9	-156.9	66.2	0	0	112.2	L501 L526 L590 L640 W641 Q642 A652	L501-M644 HydrophobicContact CB-CB 3.9Å; L501-M644 HydrophobicContact CB-CG 3.77Å; L501-M644 HydrophobicContact CB-SD 3.71Å; L501-M644 HydrophobicContact CD1-CB 4.33Å; L501-M644 HydrophobicContact CD1-SD 4.1Å; L501-M644 HydrophobicContact CG-SD 4.48Å; L526-M644 HydrophobicContact CD1-CE 4.41Å; L526-M644 HydrophobicContact CD1-SD 3.37Å; L526-M644 WeakPolarHBondContact CD1-SD 3.38Å; L590-M644 HydrophobicContact CD1-CE 4.16Å; L590-M644 HydrophobicContact CD2-CE 4.35Å; L640-M644 PolarHBondContact O-N 3.35Å; W641-M644 HydrophobicContact CD2-CE 3.88Å; W641-M644 HydrophobicContact CE3-CE 3.71Å; W641-M644 HydrophobicContact CE3-SD 4.31Å; W641-M644 HydrophobicContact CH2-CE 4.09Å; W641-M644 HydrophobicContact CZ2-CE 4.23Å; W641-M644 HydrophobicContact CZ3-CE 3.82Å; W641-M644 HydrophobicContact CZ3-SD 4.26Å; W641-M644 WeakPolarHBondContact O-CB 3.26Å; W641-M644 PolarHBondContact O-N 3.21Å; Q642-M644 VanDerWaalsContact C-N 3.28Å; Q642-M644 PolarHBondContact O-N 3.27Å; M644-A652 HydrophobicContact CB-CB 4.09Å
645	Q	88.4	Confident	90.2	Very high	48 Å²	48	56.3 Å²	56.3	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-36.7	178.4	-68.4	-179	5.4	0	0	112.5	L590 W641 Q642 Y647 P648	L590-Q645 HydrophobicContact CD1-CG 4.32Å; L590-Q645 PolarHBondContact O-NE2 3.09Å; L590-Q645 VanDerWaalsContact O-NE2 3.1Å; W641-Q645 WeakPolarHBondContact O-CG 3.32Å; W641-Q645 PolarHBondContact O-N 3.2Å; W641-Q645 VanDerWaalsContact O-N 3.15Å; Q642-Q645 PolarHBondContact O-N 2.92Å; Q642-Q645 VanDerWaalsContact O-N 3.08Å; Q645-Y647 VanDerWaalsContact C-N 3.35Å; Q645-Y647 PolarHBondContact O-N 3.28Å; Q645-P648 WeakPolarHBondContact O-CD 3.16Å; Q645-P648 WeakPolarHBondContact O-CG 3.4Å
646	Q	87.4	Confident	90.4	Very high	129 Å²	129	54 Å²	54	60%	0.603	28%	0.278	S	S	*	.	H	α-helix	trans	-69.5	-27.6	-177.7	-169.4	177.6	23.8	0	0	113.5	Q642 P648	Q642-Q646 WeakPolarHBondContact O-CB 3.37Å; Q642-Q646 PolarHBondContact O-N 3.23Å; Q646-P648 WeakPolarHBondContact O-CD 3.37Å
647	Y	87.6	Confident	90.5	Very high	128 Å²	128	52.8 Å²	52.8	50%	0.502	27%	0.272	S	S	.	.	S	Bend	trans	-124.9	65.6	-176.5	-58.7	-74.9	0	0	0	114	K643 Q645 G649 S650	K643-Y647 HydrophobicContact CG-CD2 4.49Å; K643-Y647 WeakPolarHBondContact O-CD2 3.33Å; K643-Y647 PolarHBondContact O-N 3.38Å; Q645-Y647 VanDerWaalsContact C-N 3.35Å; Q645-Y647 PolarHBondContact O-N 3.28Å; Y647-G649 PolarHBondContact O-N 3.33Å; Y647-S650 WeakPolarHBondContact O-CB 3.4Å; Y647-S650 PolarHBondContact O-N 3.33Å
648	P	84.9	Confident	90.3	Very high	36 Å²	36	52.4 Å²	52.4	23%	0.234	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	120.6	-174.5	-21	33.6	0	0	0	113.9	Y503 P505 K508 Q645 Q646	Y503-P648 HydrophobicContact CD1-CB 4.37Å; Y503-P648 CarbonylContact O-C 3.51Å; Y503-P648 WeakPolarHBondContact O-CA 3.4Å; P505-P648 HydrophobicContact CG-CB 3.6Å; K508-P648 PolarHBondContact NZ-O 3.07Å; Q645-P648 WeakPolarHBondContact O-CD 3.16Å; Q645-P648 WeakPolarHBondContact O-CG 3.4Å; Q646-P648 WeakPolarHBondContact O-CD 3.37Å
649	G	84	Confident	90.1	Very high	24 Å²	24	53.8 Å²	53.8	25%	0.247	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.1	-19.2	-173.8	0	0	0	0	0	114.1	K502 Y503 Y647	K502-G649 WeakPolarHBondContact CD-O 3.33Å; K502-G649 WeakPolarHBondContact CE-O 3.49Å; K502-G649 PolarHBondContact NZ-O 3.45Å; Y503-G649 PolarHBondContact O-N 3.13Å; Y647-G649 PolarHBondContact O-N 3.33Å
650	S	91.4	Very high	89.1	Confident	70 Å²	70	52.5 Å²	52.5	49%	0.49	27%	0.265	S	S	.	.	S	Bend	trans	-91.8	159.3	177.2	-61.6	0	0	0	0	112	K502 Y647	K502-S650 WeakPolarHBondContact CB-O 3.45Å; K502-S650 WeakPolarHBondContact CG-O 3.36Å; Y647-S650 WeakPolarHBondContact O-CB 3.4Å; Y647-S650 PolarHBondContact O-N 3.33Å
651	W	93.1	Very high	88.3	Confident	105 Å²	105	54.9 Å²	54.9	40%	0.398	28%	0.282	S	S	.	.			trans	-87	119.4	169.6	-71.3	110.1	0	0	0	110.5	S500 K502 Q527 W529 T579	S500-W651 WeakPolarHBondContact O-CZ3 3.22Å; K502-W651 HydrophobicContact CB-CD2 3.71Å; K502-W651 HydrophobicContact CB-CE3 3.36Å; K502-W651 HydrophobicContact CB-CG 4.38Å; K502-W651 HydrophobicContact CB-CH2 4.17Å; K502-W651 HydrophobicContact CB-CZ2 4.46Å; K502-W651 HydrophobicContact CB-CZ3 3.61Å; K502-W651 HydrophobicContact CD-CD2 3.87Å; K502-W651 HydrophobicContact CD-CE3 4.35Å; K502-W651 HydrophobicContact CD-CG 4.22Å; K502-W651 HydrophobicContact CD-CZ2 4.08Å; K502-W651 HydrophobicContact CG-CD2 4.46Å; Q527-W651 HydrophobicContact CB-CH2 3.7Å; Q527-W651 HydrophobicContact CB-CZ3 4.08Å; W529-W651 HydrophobicContact CB-CH2 3.89Å; W529-W651 HydrophobicContact CB-CZ3 3.81Å; T579-W651 HydrophobicContact CG2-CH2 4.28Å
652	A	93.8	Very high	87.6	Confident	5 Å²	5	56.1 Å²	56.1	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	105.5	165.8	0	0	0	0	0	108.7	S500 L501 L640 K643 M644	S500-A652 CarbonylContact C-O 3.58Å; S500-A652 WeakPolarHBondContact CA-O 3.41Å; L501-A652 PolarHBondContact N-O 3.04Å; L501-A652 PolarHBondContact O-N 2.82Å; L640-A652 HydrophobicContact CD1-CB 4.15Å; L640-A652 WeakPolarHBondContact CD1-O 3.49Å; K643-A652 HydrophobicContact CB-CB 4.13Å; K643-A652 HydrophobicContact CD-CB 4.08Å; K643-A652 HydrophobicContact CG-CB 3.8Å; M644-A652 HydrophobicContact CB-CB 4.09Å
653	E	94.3	Very high	86.5	Confident	91 Å²	91	56.3 Å²	56.3	43%	0.425	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.9	176.5	-178.3	163.1	-178.5	0	0	112.2	S500 K531 L640 K643	S500-E653 WeakPolarHBondContact OG-CB 3.48Å; K531-E653 WeakPolarHBondContact CE-OE1 3.46Å; K531-E653 IonicContact NZ-OE1 2.72Å; K531-E653 PolarHBondContact NZ-OE1 3.04Å; K531-E653 IonicContact NZ-OE2 3.2Å; K531-E653 PolarHBondContact NZ-OE2 3.47Å; L640-E653 VanDerWaalsContact CD1-C 3.45Å; L640-E653 WeakPolarHBondContact CD1-O 3.26Å; K643-E653 PolarHBondContact NZ-O 2.98Å
654	G	91.1	Very high	84.7	Confident	18 Å²	18	56.4 Å²	56.4	19%	0.186	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	148	172.4	0	0	0	0	0	113	V499	V499-G654 PolarHBondContact N-O 3.44Å; V499-G654 PolarHBondContact O-N 3.37Å; V499-G654 VanDerWaalsContact O-N 3.1Å
655	T	92.8	Very high	82.2	Confident	56 Å²	56	63.5 Å²	63.5	34%	0.344	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.2	162.1	-55.4	0	0	0	0	108.1	E496 V498	E496-T655 HydrophobicContact CB-CG2 3.85Å; E496-T655 HydrophobicContact CG-CG2 4.13Å; V498-T655 HydrophobicContact CG2-CG2 4.22Å
656	L	91.5	Very high	79.5	Confident	2 Å²	2	68 Å²	68	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.9	-179.1	-56.5	166.4	0	0	0	110.1	E496 L497 V499 V614 L616 E636 E637 L640	E496-L656 CarbonylContact C-O 3.59Å; E496-L656 WeakPolarHBondContact CA-O 3.43Å; L497-L656 PolarHBondContact N-O 3.05Å; L497-L656 PolarHBondContact O-N 3.41Å; V499-L656 HydrophobicContact CG2-CD1 3.76Å; V614-L656 HydrophobicContact CB-CD1 4.4Å; V614-L656 HydrophobicContact CG1-CB 3.87Å; V614-L656 HydrophobicContact CG2-CD1 3.97Å; L616-L656 HydrophobicContact CD1-CD1 3.83Å; L616-L656 HydrophobicContact CD2-CD1 3.75Å; L616-L656 HydrophobicContact CD2-CD2 4.26Å; L616-L656 HydrophobicContact CG-CD1 4.09Å; E636-L656 HydrophobicContact CB-CD2 4.12Å; E637-L656 HydrophobicContact CG-CD2 4.28Å; L640-L656 HydrophobicContact CD2-CD1 3.99Å; L640-L656 HydrophobicContact CD2-CD2 4.07Å; L640-L656 HydrophobicContact CD2-CG 4.22Å
657	Q	88.3	Confident	76.9	Confident	86 Å²	86	69 Å²	69	40%	0.402	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.7	178.6	-60.9	-177.3	-27.8	0	0	111.5	H493 V614 R659	H493-Q657 PolarHBondContact CE1-NE2 3.39Å; H493-Q657 VanDerWaalsContact CE1-NE2 3.34Å; H493-Q657 PolarHBondContact CE1-OE1 3.25Å; H493-Q657 PolarHBondContact ND1-OE1 3.02Å; H493-Q657 VanDerWaalsContact ND1-OE1 3.16Å; V614-Q657 WeakPolarHBondContact CG1-O 3.24Å; Q657-R659 PolarHBondContact O-N 3.19Å
658	L	86.7	Confident	74.1	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-75.3	117.3	-178.2	-70.1	173.6	0	0	0	111.7	K494 G495 L497 L536 V599 V614	K494-L658 HydrophobicContact CB-CB 4.42Å; K494-L658 PolarHBondContact N-O 2.84Å; G495-L658 WeakPolarHBondContact O-CB 3.41Å; G495-L658 PolarHBondContact O-N 3.13Å; L497-L658 HydrophobicContact CB-CD2 3.96Å; L497-L658 HydrophobicContact CB-CG 4.39Å; L536-L658 HydrophobicContact CD2-CD1 3.43Å; L536-L658 VanDerWaalsContact CD2-CD1 3.43Å; V599-L658 HydrophobicContact CB-CD1 4.47Å; V599-L658 HydrophobicContact CG2-CD1 4.02Å; V599-L658 HydrophobicContact CG2-CD2 3.71Å; V614-L658 HydrophobicContact CG1-CD2 4.35Å
659	R	85.4	Confident	71.4	Confident	50 Å²	50	75.2 Å²	75.2	19%	0.189	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-61.2	138.9	172.4	-58.2	161.3	168.6	-116.3	0.3	110.2	G612 G613 D632 E637 Q657 S661 M662	G612-R659 VanDerWaalsContact CA-O 3.24Å; G612-R659 WeakPolarHBondContact CA-O 3.42Å; G613-R659 PolarHBondContact N-O 3.44Å; G613-R659 WeakPolarHBondContact O-CB 3.43Å; G613-R659 WeakPolarHBondContact O-CD 3.33Å; G613-R659 VanDerWaalsContact O-CG 3.26Å; G613-R659 WeakPolarHBondContact O-CG 3.36Å; G613-R659 PolarHBondContact O-N 3.2Å; D632-R659 PolarHBondContact O-NH2 2.93Å; D632-R659 IonicContact OD1-NH1 2.7Å; D632-R659 IonicContact OD2-CZ 2.69Å; D632-R659 IonicContact OD2-NH1 3.29Å; D632-R659 PolarHBondContact OD2-NH1 2.89Å; D632-R659 IonicContact OD2-NH2 2.61Å; E637-R659 IonicContact OE1-CZ 3.62Å; E637-R659 IonicContact OE1-NE 2.67Å; E637-R659 PolarHBondContact OE1-NE 3.27Å; E637-R659 IonicContact OE1-NH2 3.58Å; E637-R659 PolarHBondContact OE1-NH2 2.93Å; E637-R659 IonicContact OE2-CZ 2.66Å; E637-R659 IonicContact OE2-NE 2.92Å; E637-R659 IonicContact OE2-NH2 2.77Å; E637-R659 PolarHBondContact OE2-NH2 3.16Å; Q657-R659 PolarHBondContact O-N 3.19Å; R659-S661 PolarHBondContact O-N 3.42Å; R659-M662 HydrophobicContact CB-SD 4.3Å
660	S	70.3	Confident	70.7	Confident	44 Å²	44	77.8 Å²	77.8	31%	0.308	44%	0.438	S	S	.	.	S	Bend	trans	-71	-17.3	178.3	60.8	0	0	0	0	114.1
661	S	75.6	Confident	69.7	Low	57 Å²	57	78.2 Å²	78.2	40%	0.399	44%	0.436	S	S	.	.			trans	-154.3	154.3	177.3	-177.9	0	0	0	0	110.8	R659 V663	R659-S661 PolarHBondContact O-N 3.42Å; S661-V663 PolarHBondContact OG-N 2.96Å
662	M	77.4	Confident	68.4	Low	26 Å²	26	76.7 Å²	76.7	13%	0.128	44%	0.438	C	S	.	.	S	Bend	trans	-103.1	14.3	172	-50.3	-50.8	-66.6	0	0	112.7	E596 T598 F610 G613 R615 R659	E596-M662 HydrophobicContact CG-CE 4.4Å; T598-M662 HydrophobicContact CG2-CG 4.12Å; F610-M662 HydrophobicContact CE2-CG 4.15Å; F610-M662 HydrophobicContact CZ-CG 3.66Å; F610-M662 HydrophobicContact CZ-SD 4.01Å; G613-M662 VanDerWaalsContact CA-SD 3.59Å; R615-M662 HydrophobicContact CG-CE 3.67Å; R615-M662 PolarHBondContact NH1-O 3.34Å; R615-M662 PolarHBondContact NH2-O 3.42Å; R659-M662 HydrophobicContact CB-SD 4.3Å
663	V	68.3	Low	66.9	Low	107 Å²	107	80.9 Å²	80.9	65%	0.648	46%	0.461	S	S	*	.	S	Bend	trans	-91.6	134.4	175.4	-178.9	0	0	0	0	109	S661 Q665	S661-V663 PolarHBondContact OG-N 2.96Å; V663-Q665 PolarHBondContact O-N 3.39Å; V663-Q665 VanDerWaalsContact O-N 3.16Å
664	K	52.3	Low	65.2	Low	98 Å²	98	80.3 Å²	80.3	43%	0.426	46%	0.463	S	S	.	.			trans	-49.6	118.7	178.2	-179.5	172.6	-178.5	169.6	0	111.5	D629 N666	D629-K664 HydrophobicContact CB-CB 4.31Å; K664-N666 PolarHBondContact O-N 3.19Å
665	Q	42.4	Very low	63.4	Low	149 Å²	149	84.4 Å²	84.4	70%	0.696	48%	0.482	S	S	*	.			trans	-70.3	116	167.1	-68.8	-176.8	-9.8	0	0	108.5	V663 L667	V663-Q665 PolarHBondContact O-N 3.39Å; V663-Q665 VanDerWaalsContact O-N 3.16Å; Q665-L667 PolarHBondContact O-N 3.33Å
666	N	32	Very low	61.3	Low	144 Å²	144	86.4 Å²	86.4	77%	0.77	49%	0.492	S	S	*	.			trans	-75.6	82.6	165.7	-77	-13.3	0	0	0	108.3	K664 G668	K664-N666 PolarHBondContact O-N 3.19Å; N666-G668 PolarHBondContact O-N 3.32Å
667	L	32.1	Very low	59	Low	149 Å²	149	92.9 Å²	92.9	78%	0.78	53%	0.529	S	S	*	.			trans	-61.8	100.9	161.9	-71.6	168.4	0	0	0	107.4	Q665	Q665-L667 PolarHBondContact O-N 3.33Å
668	G	28.4	Very low	56.6	Low	77 Å²	77	93.5 Å²	93.5	79%	0.794	54%	0.539	S	S	*	.			trans	-68.3	131.2	175	0	0	0	0	0	110.3	N666	N666-G668 PolarHBondContact O-N 3.32Å
669	V	27.8	Very low	53.8	Low	217 Å²	217	101.6 Å²	101.6	100%	1.315	59%	0.587	S	S	*	*			trans	-95	0	165.5	-177.3	0	0	0	0	108

Retrieved 669 of 669 residues in 364.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).